NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
580654 | 2mit | 19693 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1HT ALA 1 -12.132 -0.490 5.019 2 H2 ALA 1 2HT ALA 1 -10.722 -1.048 5.782 3 H3 ALA 1 3HT ALA 1 -11.844 -2.159 5.160 4 HA ALA 1 HA ALA 1 -11.397 -1.379 2.942 5 HB1 ALA 1 2HB ALA 1 -9.468 0.133 2.612 6 HB2 ALA 1 3HB ALA 1 -9.335 0.315 4.354 7 HB3 ALA 1 1HB ALA 1 -10.762 0.922 3.516 8 H THR 2 H THR 2 -10.214 -2.935 1.939 9 HA THR 2 HA THR 2 -7.939 -4.019 3.451 10 HB THR 2 HB THR 2 -9.675 -5.545 1.493 11 HG1 THR 2 1HG THR 2 -10.087 -4.942 4.067 12 HG21 THR 2 3HG2 THR 2 -8.440 -7.493 2.346 13 HG22 THR 2 1HG2 THR 2 -7.474 -6.434 3.377 14 HG23 THR 2 2HG2 THR 2 -7.348 -6.322 1.617 15 H CYS 3 H CYS 3 -6.170 -3.355 2.602 16 HA CYS 3 HA CYS 3 -6.017 -3.029 -0.318 17 HB2 CYS 3 2HB CYS 3 -4.453 -1.512 1.791 18 HB3 CYS 3 1HB CYS 3 -4.409 -1.242 0.065 19 H TYR 4 H TYR 4 -3.701 -3.370 -1.081 20 HA TYR 4 HA TYR 4 -1.966 -4.732 0.659 21 HB2 TYR 4 2HB TYR 4 -1.863 -6.848 -0.765 22 HB3 TYR 4 1HB TYR 4 -3.254 -6.684 0.289 23 HD1 TYR 4 2HD TYR 4 -5.471 -6.277 -0.651 24 HD2 TYR 4 1HD TYR 4 -2.095 -6.858 -3.170 25 HE1 TYR 4 2HE TYR 4 -6.969 -6.687 -2.529 26 HE2 TYR 4 1HE TYR 4 -3.587 -7.280 -5.070 27 HH TYR 4 HH TYR 4 -6.930 -6.602 -4.918 28 H CYS 5 H CYS 5 0.071 -5.056 -0.154 29 HA CYS 5 HA CYS 5 0.730 -3.037 -2.131 30 HB2 CYS 5 2HB CYS 5 2.617 -4.653 -0.371 31 HB3 CYS 5 1HB CYS 5 2.885 -3.105 -1.185 32 H ARG 6 H ARG 6 0.720 -3.845 -4.227 33 HA ARG 6 HA ARG 6 2.032 -6.406 -4.570 34 HB2 ARG 6 2HB ARG 6 0.680 -6.669 -6.735 35 HB3 ARG 6 1HB ARG 6 -0.094 -7.040 -5.222 36 HG2 ARG 6 2HG ARG 6 -1.670 -5.935 -6.520 37 HG3 ARG 6 1HG ARG 6 -1.098 -4.714 -5.388 38 HD2 ARG 6 2HD ARG 6 0.282 -3.748 -7.123 39 HD3 ARG 6 1HD ARG 6 -0.217 -4.994 -8.275 40 HE ARG 6 HE ARG 6 -2.397 -3.550 -7.073 41 HH11 ARG 6 1HH1 ARG 6 -0.247 -3.515 -9.955 42 HH12 ARG 6 2HH1 ARG 6 -1.303 -2.587 -10.863 43 HH21 ARG 6 1HH2 ARG 6 -3.837 -2.251 -8.484 44 HH22 ARG 6 2HH2 ARG 6 -3.330 -1.864 -10.060 45 H THR 7 H THR 7 3.261 -6.908 -6.305 46 HA THR 7 HA THR 7 4.987 -4.665 -6.857 47 HB THR 7 HB THR 7 6.522 -6.457 -7.726 48 HG1 THR 7 1HG THR 7 5.529 -8.281 -8.159 49 HG21 THR 7 3HG2 THR 7 6.651 -5.657 -5.410 50 HG22 THR 7 1HG2 THR 7 6.996 -7.384 -5.503 51 HG23 THR 7 2HG2 THR 7 5.422 -6.825 -4.938 52 H GLY 8 H GLY 8 2.454 -6.065 -8.456 53 HA2 GLY 8 2HA GLY 8 3.407 -4.984 -10.974 54 HA3 GLY 8 1HA GLY 8 2.966 -6.685 -10.960 55 H ARG 9 H ARG 9 0.816 -7.245 -10.499 56 HA ARG 9 HA ARG 9 -1.051 -5.048 -10.729 57 HB2 ARG 9 2HB ARG 9 -2.364 -6.417 -12.359 58 HB3 ARG 9 1HB ARG 9 -0.831 -5.815 -12.971 59 HG2 ARG 9 2HG ARG 9 0.159 -8.024 -12.518 60 HG3 ARG 9 1HG ARG 9 -1.429 -8.595 -12.001 61 HD2 ARG 9 2HD ARG 9 -2.330 -8.120 -14.225 62 HD3 ARG 9 1HD ARG 9 -0.751 -7.519 -14.736 63 HE ARG 9 HE ARG 9 -0.157 -9.975 -13.913 64 HH11 ARG 9 1HH1 ARG 9 -2.632 -8.793 -16.141 65 HH12 ARG 9 2HH1 ARG 9 -2.723 -10.226 -17.059 66 HH21 ARG 9 1HH2 ARG 9 -0.221 -11.931 -15.205 67 HH22 ARG 9 2HH2 ARG 9 -1.325 -12.052 -16.514 68 H CYS 10 H CYS 10 -3.415 -6.101 -10.430 69 HA CYS 10 HA CYS 10 -3.386 -8.434 -8.732 70 HB2 CYS 10 2HB CYS 10 -4.950 -7.234 -7.115 71 HB3 CYS 10 1HB CYS 10 -3.292 -6.720 -6.984 72 H ALA 11 H ALA 11 -5.677 -9.179 -8.306 73 HA ALA 11 HA ALA 11 -7.040 -9.210 -10.802 74 HB1 ALA 11 1HB ALA 11 -8.600 -10.762 -9.746 75 HB2 ALA 11 2HB ALA 11 -7.939 -10.366 -8.161 76 HB3 ALA 11 3HB ALA 11 -6.938 -11.205 -9.340 77 H THR 12 H THR 12 -7.522 -7.148 -11.127 78 HA THR 12 HA THR 12 -9.996 -6.193 -10.912 79 HB THR 12 HB THR 12 -9.810 -5.964 -8.433 80 HG1 THR 12 1HG THR 12 -10.450 -4.046 -10.111 81 HG21 THR 12 3HG2 THR 12 -7.387 -5.648 -8.235 82 HG22 THR 12 1HG2 THR 12 -8.245 -4.332 -7.432 83 HG23 THR 12 2HG2 THR 12 -7.518 -4.077 -9.021 84 H ARG 13 H ARG 13 -6.617 -5.794 -11.114 85 HA ARG 13 HA ARG 13 -5.246 -4.577 -12.244 86 HB2 ARG 13 2HB ARG 13 -7.562 -4.675 -14.048 87 HB3 ARG 13 1HB ARG 13 -6.336 -3.470 -14.416 88 HG2 ARG 13 2HG ARG 13 -5.693 -6.373 -13.974 89 HG3 ARG 13 1HG ARG 13 -6.063 -5.687 -15.565 90 HD2 ARG 13 2HD ARG 13 -3.808 -4.804 -13.731 91 HD3 ARG 13 1HD ARG 13 -3.647 -5.752 -15.201 92 HE ARG 13 HE ARG 13 -5.066 -3.407 -15.794 93 HH11 ARG 13 1HH1 ARG 13 -1.712 -4.426 -15.109 94 HH12 ARG 13 2HH1 ARG 13 -1.059 -3.055 -15.868 95 HH21 ARG 13 1HH2 ARG 13 -4.080 -1.560 -16.834 96 HH22 ARG 13 2HH2 ARG 13 -2.380 -1.449 -16.860 97 H GLU 14 H GLU 14 -7.694 -2.296 -13.264 98 HA GLU 14 HA GLU 14 -5.937 -0.388 -12.097 99 HB2 GLU 14 2HB GLU 14 -8.157 -0.011 -14.080 100 HB3 GLU 14 1HB GLU 14 -7.274 1.340 -13.367 101 HG2 GLU 14 2HG GLU 14 -5.194 0.512 -14.228 102 HG3 GLU 14 1HG GLU 14 -5.971 -0.938 -14.841 103 H SER 15 H SER 15 -6.295 -0.887 -10.147 104 HA SER 15 HA SER 15 -8.315 0.753 -8.816 105 HB2 SER 15 2HB SER 15 -9.003 -1.674 -8.736 106 HB3 SER 15 1HB SER 15 -7.455 -2.047 -7.993 107 HG SER 15 HG SER 15 -9.727 -1.017 -6.908 108 H LEU 16 H LEU 16 -5.543 0.947 -9.751 109 HA LEU 16 HA LEU 16 -3.837 0.619 -7.474 110 HB2 LEU 16 2HB LEU 16 -3.109 0.276 -9.876 111 HB3 LEU 16 1HB LEU 16 -3.371 1.966 -10.155 112 HG LEU 16 HG LEU 16 -1.165 0.814 -8.396 113 HD11 LEU 16 1HD1 LEU 16 0.263 1.543 -10.186 114 HD12 LEU 16 2HD1 LEU 16 -1.155 2.033 -11.118 115 HD13 LEU 16 3HD1 LEU 16 -0.901 0.332 -10.732 116 HD21 LEU 16 3HD2 LEU 16 -1.862 3.070 -7.659 117 HD22 LEU 16 1HD2 LEU 16 -1.714 3.636 -9.329 118 HD23 LEU 16 2HD2 LEU 16 -0.289 3.084 -8.476 119 H SER 17 H SER 17 -3.851 1.913 -5.985 120 HA SER 17 HA SER 17 -5.034 4.592 -6.298 121 HB2 SER 17 2HB SER 17 -5.690 4.249 -3.916 122 HB3 SER 17 1HB SER 17 -6.446 3.150 -5.073 123 HG SER 17 HG SER 17 -5.535 2.240 -3.088 124 H GLY 18 H GLY 18 -2.145 3.042 -5.709 125 HA2 GLY 18 2HA GLY 18 -0.833 5.419 -5.061 126 HA3 GLY 18 1HA GLY 18 -1.018 4.441 -3.606 127 H VAL 19 H VAL 19 1.470 5.074 -4.679 128 HA VAL 19 HA VAL 19 2.389 2.375 -5.214 129 HB VAL 19 HB VAL 19 4.142 3.224 -6.791 130 HG11 VAL 19 1HG1 VAL 19 2.691 3.262 -8.766 131 HG12 VAL 19 2HG1 VAL 19 1.309 3.501 -7.682 132 HG13 VAL 19 3HG1 VAL 19 2.247 1.999 -7.608 133 HG21 VAL 19 3HG2 VAL 19 4.022 5.587 -6.285 134 HG22 VAL 19 1HG2 VAL 19 2.374 5.644 -6.912 135 HG23 VAL 19 2HG2 VAL 19 3.723 5.306 -8.004 136 H CYS 20 H CYS 20 4.401 1.921 -4.570 137 HA CYS 20 HA CYS 20 6.133 3.938 -3.472 138 HB2 CYS 20 2HB CYS 20 6.438 2.431 -1.406 139 HB3 CYS 20 1HB CYS 20 5.041 3.520 -1.356 140 H GLU 21 H GLU 21 8.117 3.456 -4.227 141 HA GLU 21 HA GLU 21 8.474 0.684 -4.971 142 HB2 GLU 21 2HB GLU 21 8.823 2.346 -6.739 143 HB3 GLU 21 1HB GLU 21 10.069 3.117 -5.812 144 HG2 GLU 21 2HG GLU 21 10.296 0.229 -6.639 145 HG3 GLU 21 1HG GLU 21 10.774 1.506 -7.729 146 H ILE 22 H ILE 22 9.600 -0.539 -3.933 147 HA ILE 22 HA ILE 22 11.457 0.470 -1.900 148 HB ILE 22 HB ILE 22 9.437 -1.712 -1.219 149 HG12 ILE 22 2HG1 ILE 22 9.159 1.242 -0.502 150 HG13 ILE 22 1HG1 ILE 22 8.237 0.438 -1.757 151 HG21 ILE 22 1HG2 ILE 22 10.085 -1.168 1.052 152 HG22 ILE 22 2HG2 ILE 22 11.179 0.078 0.451 153 HG23 ILE 22 3HG2 ILE 22 11.487 -1.616 0.078 154 HD11 ILE 22 3HD1 ILE 22 7.013 0.671 0.309 155 HD12 ILE 22 1HD1 ILE 22 8.257 -0.283 1.129 156 HD13 ILE 22 2HD1 ILE 22 7.274 -1.017 -0.151 157 H SER 23 H SER 23 13.188 -0.742 -1.875 158 HA SER 23 HA SER 23 14.801 -2.229 -2.446 159 HB2 SER 23 2HB SER 23 14.237 -4.645 -2.037 160 HB3 SER 23 1HB SER 23 13.749 -3.570 -0.731 161 HG SER 23 HG SER 23 11.756 -3.713 -2.436 162 H GLY 24 H GLY 24 13.316 -1.143 -4.780 163 HA2 GLY 24 2HA GLY 24 13.935 -1.430 -7.000 164 HA3 GLY 24 1HA GLY 24 14.361 -3.103 -6.662 165 H ARG 25 H ARG 25 11.518 -2.640 -5.224 166 HA ARG 25 HA ARG 25 10.029 -3.624 -7.543 167 HB2 ARG 25 2HB ARG 25 9.792 -4.245 -4.642 168 HB3 ARG 25 1HB ARG 25 8.472 -4.533 -5.765 169 HG2 ARG 25 2HG ARG 25 9.660 -6.054 -6.968 170 HG3 ARG 25 1HG ARG 25 11.188 -5.526 -6.252 171 HD2 ARG 25 2HD ARG 25 10.457 -6.428 -4.084 172 HD3 ARG 25 1HD ARG 25 8.889 -6.842 -4.760 173 HE ARG 25 HE ARG 25 10.778 -8.198 -6.246 174 HH11 ARG 25 1HH1 ARG 25 9.754 -8.113 -2.838 175 HH12 ARG 25 2HH1 ARG 25 10.077 -9.761 -2.567 176 HH21 ARG 25 1HH2 ARG 25 11.230 -10.457 -5.838 177 HH22 ARG 25 2HH2 ARG 25 10.909 -11.123 -4.307 178 H LEU 26 H LEU 26 8.246 -2.836 -7.983 179 HA LEU 26 HA LEU 26 7.607 -0.259 -6.750 180 HB2 LEU 26 2HB LEU 26 7.697 -0.892 -9.350 181 HB3 LEU 26 1HB LEU 26 6.021 -1.293 -9.030 182 HG LEU 26 HG LEU 26 5.819 0.827 -9.761 183 HD11 LEU 26 1HD1 LEU 26 5.342 2.360 -8.052 184 HD12 LEU 26 2HD1 LEU 26 6.195 1.354 -6.886 185 HD13 LEU 26 3HD1 LEU 26 4.719 0.740 -7.675 186 HD21 LEU 26 3HD2 LEU 26 7.378 2.691 -9.244 187 HD22 LEU 26 1HD2 LEU 26 8.119 1.347 -10.123 188 HD23 LEU 26 2HD2 LEU 26 8.391 1.508 -8.401 189 H TYR 27 H TYR 27 6.245 -0.427 -5.130 190 HA TYR 27 HA TYR 27 4.338 -2.569 -5.121 191 HB2 TYR 27 2HB TYR 27 5.492 -0.802 -3.042 192 HB3 TYR 27 1HB TYR 27 4.029 -1.649 -2.627 193 HD1 TYR 27 1HD TYR 27 4.084 -4.206 -2.817 194 HD2 TYR 27 2HD TYR 27 7.609 -1.833 -2.989 195 HE1 TYR 27 1HE TYR 27 5.426 -6.195 -2.318 196 HE2 TYR 27 2HE TYR 27 8.977 -3.825 -2.477 197 HH TYR 27 HH TYR 27 8.742 -6.055 -1.486 198 H ARG 28 H ARG 28 2.738 -2.151 -6.208 199 HA ARG 28 HA ARG 28 1.437 0.444 -6.246 200 HB2 ARG 28 2HB ARG 28 1.005 -2.142 -7.675 201 HB3 ARG 28 1HB ARG 28 -0.093 -0.778 -7.857 202 HG2 ARG 28 2HG ARG 28 1.579 0.500 -8.865 203 HG3 ARG 28 1HG ARG 28 2.836 -0.639 -8.409 204 HD2 ARG 28 2HD ARG 28 1.644 -2.339 -9.844 205 HD3 ARG 28 1HD ARG 28 0.563 -1.124 -10.312 206 HE ARG 28 HE ARG 28 2.232 0.090 -11.449 207 HH11 ARG 28 1HH1 ARG 28 3.448 -2.981 -10.237 208 HH12 ARG 28 2HH1 ARG 28 4.699 -3.114 -11.391 209 HH21 ARG 28 1HH2 ARG 28 3.949 -0.069 -13.016 210 HH22 ARG 28 2HH2 ARG 28 4.997 -1.409 -13.004 211 H LEU 29 H LEU 29 -0.440 0.769 -5.294 212 HA LEU 29 HA LEU 29 -1.330 -1.310 -3.459 213 HB2 LEU 29 2HB LEU 29 -1.922 1.634 -3.483 214 HB3 LEU 29 1HB LEU 29 -2.279 0.492 -2.192 215 HG LEU 29 HG LEU 29 0.440 1.450 -3.071 216 HD11 LEU 29 1HD1 LEU 29 0.540 2.398 -0.832 217 HD12 LEU 29 2HD1 LEU 29 -1.138 1.920 -0.570 218 HD13 LEU 29 3HD1 LEU 29 -0.739 3.103 -1.820 219 HD21 LEU 29 3HD2 LEU 29 1.303 0.228 -1.192 220 HD22 LEU 29 1HD2 LEU 29 0.572 -0.868 -2.378 221 HD23 LEU 29 2HD2 LEU 29 -0.303 -0.443 -0.879 222 H CYS 30 H CYS 30 -3.175 -2.262 -3.917 223 HA CYS 30 HA CYS 30 -5.237 -0.677 -5.149 224 HB2 CYS 30 2HB CYS 30 -6.072 -2.889 -6.278 225 HB3 CYS 30 1HB CYS 30 -4.665 -2.090 -6.983 226 H CYS 31 H CYS 31 -7.337 -1.116 -4.376 227 HA CYS 31 HA CYS 31 -7.195 -2.608 -1.871 228 HB2 CYS 31 2HB CYS 31 -6.564 -0.136 -1.653 229 HB3 CYS 31 1HB CYS 31 -8.241 0.192 -2.035 230 H ARG 32 H ARG 32 -9.311 -2.830 -0.882 231 HA ARG 32 HA ARG 32 -11.566 -2.651 -2.764 232 HB2 ARG 32 2HB ARG 32 -12.305 -4.860 -2.145 233 HB3 ARG 32 1HB ARG 32 -10.634 -4.972 -2.675 234 HG2 ARG 32 2HG ARG 32 -9.956 -4.915 -0.290 235 HG3 ARG 32 1HG ARG 32 -11.660 -5.067 0.161 236 HD2 ARG 32 2HD ARG 32 -11.659 -7.160 -1.338 237 HD3 ARG 32 1HD ARG 32 -9.895 -6.924 -1.317 238 HE ARG 32 HE ARG 32 -11.075 -7.095 1.281 239 HH11 ARG 32 1HH1 ARG 32 -9.634 -8.934 -1.396 240 HH12 ARG 32 2HH1 ARG 32 -9.219 -10.259 -0.419 241 HH21 ARG 32 1HH2 ARG 32 -10.502 -8.956 2.591 242 HH22 ARG 32 2HH2 ARG 32 -9.708 -10.276 1.882 243 H1 ALA 101 H ALA 101 -9.567 6.591 -5.762 244 HA ALA 101 HA ALA 101 -9.757 5.605 -3.141 245 HB1 ALA 101 1HB ALA 101 -8.664 3.676 -5.202 246 HB2 ALA 101 2HB ALA 101 -10.162 3.463 -4.296 247 HB3 ALA 101 3HB ALA 101 -8.612 3.460 -3.456 248 H THR 102 H THR 102 -8.114 6.613 -2.185 249 HA THR 102 HA THR 102 -5.559 6.693 -3.592 250 HB THR 102 HB THR 102 -6.623 8.921 -1.841 251 HG1 THR 102 1HG THR 102 -6.203 8.739 -4.641 252 HG21 THR 102 3HG2 THR 102 -4.090 8.691 -3.491 253 HG22 THR 102 1HG2 THR 102 -4.177 8.641 -1.730 254 HG23 THR 102 2HG2 THR 102 -4.606 10.117 -2.590 255 H CYS 103 H CYS 103 -4.240 5.477 -2.617 256 HA CYS 103 HA CYS 103 -4.376 5.273 0.308 257 HB2 CYS 103 2HB CYS 103 -3.546 3.064 -1.596 258 HB3 CYS 103 1HB CYS 103 -3.825 2.936 0.126 259 H TYR 104 H TYR 104 -2.097 4.555 1.109 260 HA TYR 104 HA TYR 104 0.012 4.858 -0.688 261 HB2 TYR 104 2HB TYR 104 1.099 6.837 0.440 262 HB3 TYR 104 1HB TYR 104 -0.298 7.216 -0.549 263 HD1 TYR 104 1HD TYR 104 0.929 6.863 2.908 264 HD2 TYR 104 2HD TYR 104 -2.194 8.257 0.392 265 HE1 TYR 104 1HE TYR 104 0.003 8.083 4.780 266 HE2 TYR 104 2HE TYR 104 -3.166 9.505 2.242 267 HH TYR 104 HH TYR 104 -3.145 9.475 4.667 268 H CYS 105 H CYS 105 2.093 4.616 0.305 269 HA CYS 105 HA CYS 105 1.815 2.577 2.325 270 HB2 CYS 105 2HB CYS 105 4.311 3.360 0.783 271 HB3 CYS 105 1HB CYS 105 3.944 1.863 1.637 272 H ARG 106 H ARG 106 2.072 3.162 4.357 273 HA ARG 106 HA ARG 106 3.908 5.354 5.003 274 HB2 ARG 106 2HB ARG 106 2.626 5.366 7.246 275 HB3 ARG 106 1HB ARG 106 1.853 6.078 5.838 276 HG2 ARG 106 2HG ARG 106 0.354 4.433 5.660 277 HG3 ARG 106 1HG ARG 106 1.308 3.232 6.569 278 HD2 ARG 106 2HD ARG 106 0.859 4.487 8.601 279 HD3 ARG 106 1HD ARG 106 0.017 5.728 7.686 280 HE ARG 106 HE ARG 106 -1.454 3.715 7.042 281 HH11 ARG 106 1HH1 ARG 106 0.038 4.081 10.239 282 HH12 ARG 106 2HH1 ARG 106 -1.349 3.633 11.088 283 HH21 ARG 106 1HH2 ARG 106 -3.441 3.066 8.311 284 HH22 ARG 106 2HH2 ARG 106 -3.280 3.060 10.011 285 H THR 107 H THR 107 5.411 5.107 6.636 286 HA THR 107 HA THR 107 6.235 2.372 6.978 287 HB THR 107 HB THR 107 8.268 3.483 7.935 288 HG1 THR 107 1HG THR 107 7.801 5.439 8.580 289 HG21 THR 107 3HG2 THR 107 9.052 4.345 5.768 290 HG22 THR 107 1HG2 THR 107 7.380 4.425 5.201 291 HG23 THR 107 2HG2 THR 107 8.110 2.865 5.566 292 H GLY 108 H GLY 108 4.223 4.388 8.594 293 HA2 GLY 108 2HA GLY 108 4.252 2.905 10.992 294 HA3 GLY 108 1HA GLY 108 4.904 4.534 11.206 295 H ARG 109 H ARG 109 3.547 6.197 11.328 296 HA ARG 109 HA ARG 109 0.777 5.512 10.865 297 HB2 ARG 109 2HB ARG 109 0.155 7.418 12.340 298 HB3 ARG 109 1HB ARG 109 1.118 6.192 13.144 299 HG2 ARG 109 2HG ARG 109 3.089 7.578 12.899 300 HG3 ARG 109 1HG ARG 109 2.120 8.821 12.101 301 HD2 ARG 109 2HD ARG 109 0.741 9.040 14.119 302 HD3 ARG 109 1HD ARG 109 1.697 7.788 14.907 303 HE ARG 109 HE ARG 109 3.428 9.779 14.055 304 HH11 ARG 109 1HH1 ARG 109 0.817 9.403 16.401 305 HH12 ARG 109 2HH1 ARG 109 1.429 10.547 17.494 306 HH21 ARG 109 1HH2 ARG 109 4.266 11.336 15.556 307 HH22 ARG 109 2HH2 ARG 109 3.438 11.681 17.003 308 H CYS 110 H CYS 110 -0.649 7.483 10.161 309 HA CYS 110 HA CYS 110 0.775 9.365 8.481 310 HB2 CYS 110 2HB CYS 110 -0.844 8.976 6.601 311 HB3 CYS 110 1HB CYS 110 0.106 7.533 6.870 312 H ALA 111 H ALA 111 -0.886 11.094 7.738 313 HA ALA 111 HA ALA 111 -2.138 11.975 10.130 314 HB1 ALA 111 1HB ALA 111 -2.693 14.004 8.919 315 HB2 ALA 111 2HB ALA 111 -2.252 13.242 7.393 316 HB3 ALA 111 3HB ALA 111 -1.017 13.554 8.617 317 H THR 112 H THR 112 -3.615 10.499 10.559 318 HA THR 112 HA THR 112 -6.225 11.012 10.222 319 HB THR 112 HB THR 112 -6.015 10.392 7.774 320 HG1 THR 112 1HG THR 112 -7.994 10.102 8.803 321 HG21 THR 112 3HG2 THR 112 -4.303 8.636 7.945 322 HG22 THR 112 1HG2 THR 112 -5.747 8.019 7.141 323 HG23 THR 112 2HG2 THR 112 -5.433 7.612 8.828 324 H ARG 113 H ARG 113 -3.669 8.696 10.597 325 HA ARG 113 HA ARG 113 -3.258 7.027 11.965 326 HB2 ARG 113 2HB ARG 113 -5.012 8.728 13.578 327 HB3 ARG 113 1HB ARG 113 -4.763 7.081 14.176 328 HG2 ARG 113 2HG ARG 113 -2.497 8.905 13.437 329 HG3 ARG 113 1HG ARG 113 -3.202 8.851 15.066 330 HD2 ARG 113 2HD ARG 113 -2.052 6.476 13.588 331 HD3 ARG 113 1HD ARG 113 -1.227 7.383 14.859 332 HE ARG 113 HE ARG 113 -3.534 6.728 16.038 333 HH11 ARG 113 1HH1 ARG 113 -1.189 4.646 14.343 334 HH12 ARG 113 2HH1 ARG 113 -1.536 3.292 15.309 335 HH21 ARG 113 1HH2 ARG 113 -3.966 4.854 17.314 336 HH22 ARG 113 2HH2 ARG 113 -3.120 3.400 17.010 337 H GLU 114 H GLU 114 -6.725 7.097 12.627 338 HA GLU 114 HA GLU 114 -6.668 4.256 12.416 339 HB2 GLU 114 2HB GLU 114 -8.993 6.066 13.016 340 HB3 GLU 114 1HB GLU 114 -9.039 4.311 13.065 341 HG2 GLU 114 2HG GLU 114 -7.289 4.350 14.808 342 HG3 GLU 114 1HG GLU 114 -7.363 6.109 14.795 343 H SER 115 H SER 115 -6.139 3.941 10.412 344 HA SER 115 HA SER 115 -8.213 3.124 8.790 345 HB2 SER 115 2HB SER 115 -8.334 5.543 8.089 346 HB3 SER 115 1HB SER 115 -6.651 5.459 7.580 347 HG SER 115 HG SER 115 -8.023 5.147 5.786 348 H LEU 116 H LEU 116 -6.633 1.512 9.657 349 HA LEU 116 HA LEU 116 -4.406 1.268 7.780 350 HB2 LEU 116 2HB LEU 116 -3.844 1.062 10.228 351 HB3 LEU 116 1HB LEU 116 -4.899 -0.326 10.341 352 HG LEU 116 HG LEU 116 -2.259 -0.248 8.789 353 HD11 LEU 116 1HD1 LEU 116 -2.960 -1.473 11.413 354 HD12 LEU 116 2HD1 LEU 116 -1.960 -0.039 11.156 355 HD13 LEU 116 3HD1 LEU 116 -1.430 -1.611 10.548 356 HD21 LEU 116 3HD2 LEU 116 -4.146 -2.512 9.478 357 HD22 LEU 116 1HD2 LEU 116 -2.566 -2.693 8.725 358 HD23 LEU 116 2HD2 LEU 116 -3.863 -1.878 7.858 359 H SER 117 H SER 117 -4.777 0.363 6.122 360 HA SER 117 HA SER 117 -7.056 -1.431 5.995 361 HB2 SER 117 2HB SER 117 -7.100 -0.709 3.601 362 HB3 SER 117 1HB SER 117 -7.408 0.552 4.802 363 HG SER 117 HG SER 117 -5.721 0.656 2.915 364 H GLY 118 H GLY 118 -3.704 -1.434 5.851 365 HA2 GLY 118 2HA GLY 118 -3.607 -4.129 5.157 366 HA3 GLY 118 1HA GLY 118 -3.141 -3.147 3.770 367 H VAL 119 H VAL 119 -1.382 -4.882 4.950 368 HA VAL 119 HA VAL 119 0.659 -3.014 5.768 369 HB VAL 119 HB VAL 119 1.538 -4.750 7.452 370 HG11 VAL 119 1HG1 VAL 119 0.102 -3.877 9.279 371 HG12 VAL 119 2HG1 VAL 119 -0.962 -3.206 8.020 372 HG13 VAL 119 3HG1 VAL 119 0.692 -2.633 8.173 373 HG21 VAL 119 3HG2 VAL 119 -1.338 -5.617 7.349 374 HG22 VAL 119 1HG2 VAL 119 -0.141 -6.171 8.521 375 HG23 VAL 119 2HG2 VAL 119 0.040 -6.569 6.806 376 H CYS 120 H CYS 120 2.611 -3.501 5.116 377 HA CYS 120 HA CYS 120 3.204 -6.119 4.096 378 HB2 CYS 120 2HB CYS 120 4.356 -4.936 2.102 379 HB3 CYS 120 1HB CYS 120 2.600 -5.217 1.965 380 H GLU 121 H GLU 121 5.054 -6.754 4.869 381 HA GLU 121 HA GLU 121 6.801 -4.698 5.979 382 HB2 GLU 121 2HB GLU 121 6.122 -6.557 7.452 383 HB3 GLU 121 1HB GLU 121 6.826 -7.705 6.336 384 HG2 GLU 121 2HG GLU 121 9.020 -6.576 6.685 385 HG3 GLU 121 1HG GLU 121 8.269 -5.609 7.933 386 H ILE 122 H ILE 122 8.388 -4.057 4.782 387 HA ILE 122 HA ILE 122 9.587 -5.874 2.805 388 HB ILE 122 HB ILE 122 8.914 -2.960 2.163 389 HG12 ILE 122 2HG1 ILE 122 7.299 -5.389 1.288 390 HG13 ILE 122 1HG1 ILE 122 6.824 -4.306 2.590 391 HG21 ILE 122 1HG2 ILE 122 9.647 -5.298 0.433 392 HG22 ILE 122 2HG2 ILE 122 10.716 -3.979 0.911 393 HG23 ILE 122 3HG2 ILE 122 9.316 -3.653 -0.110 394 HD11 ILE 122 3HD1 ILE 122 7.272 -3.484 -0.248 395 HD12 ILE 122 1HD1 ILE 122 6.706 -2.472 1.076 396 HD13 ILE 122 2HD1 ILE 122 5.697 -3.806 0.494 397 H SER 123 H SER 123 11.774 -5.516 2.644 398 HA SER 123 HA SER 123 13.864 -5.009 3.310 399 HB2 SER 123 2HB SER 123 14.473 -2.563 3.282 400 HB3 SER 123 1HB SER 123 13.526 -3.050 1.886 401 HG SER 123 HG SER 123 11.810 -2.295 3.705 402 H GLY 124 H GLY 124 12.059 -5.731 5.377 403 HA2 GLY 124 2HA GLY 124 12.228 -6.106 7.650 404 HA3 GLY 124 1HA GLY 124 13.678 -5.112 7.658 405 H ARG 125 H ARG 125 11.077 -3.446 6.281 406 HA ARG 125 HA ARG 125 10.572 -2.011 8.791 407 HB2 ARG 125 2HB ARG 125 11.863 -0.874 6.947 408 HB3 ARG 125 1HB ARG 125 10.438 -1.041 5.938 409 HG2 ARG 125 2HG ARG 125 9.179 0.308 7.551 410 HG3 ARG 125 1HG ARG 125 10.674 0.477 8.485 411 HD2 ARG 125 2HD ARG 125 10.179 1.441 5.671 412 HD3 ARG 125 1HD ARG 125 10.349 2.453 7.096 413 HE ARG 125 HE ARG 125 12.598 0.734 6.431 414 HH11 ARG 125 1HH1 ARG 125 11.281 4.027 6.393 415 HH12 ARG 125 2HH1 ARG 125 12.742 4.733 5.882 416 HH21 ARG 125 1HH2 ARG 125 14.563 1.719 5.760 417 HH22 ARG 125 2HH2 ARG 125 14.631 3.425 5.533 418 H LEU 126 H LEU 126 8.277 -1.496 9.157 419 HA LEU 126 HA LEU 126 6.583 -3.235 7.578 420 HB2 LEU 126 2HB LEU 126 6.650 -2.745 10.256 421 HB3 LEU 126 1HB LEU 126 5.391 -1.645 9.747 422 HG LEU 126 HG LEU 126 4.200 -3.515 10.329 423 HD11 LEU 126 1HD1 LEU 126 3.303 -4.553 8.409 424 HD12 LEU 126 2HD1 LEU 126 4.681 -4.026 7.463 425 HD13 LEU 126 3HD1 LEU 126 3.554 -2.809 8.146 426 HD21 LEU 126 3HD2 LEU 126 6.316 -5.226 9.052 427 HD22 LEU 126 1HD2 LEU 126 4.834 -5.820 9.804 428 HD23 LEU 126 2HD2 LEU 126 6.048 -4.995 10.779 429 H TYR 127 H TYR 127 5.424 -2.417 5.989 430 HA TYR 127 HA TYR 127 4.920 0.430 5.894 431 HB2 TYR 127 2HB TYR 127 5.023 -1.758 3.865 432 HB3 TYR 127 1HB TYR 127 4.441 -0.210 3.363 433 HD1 TYR 127 1HD TYR 127 6.113 1.786 3.699 434 HD2 TYR 127 2HD TYR 127 7.255 -2.301 3.917 435 HE1 TYR 127 1HE TYR 127 8.466 2.421 3.332 436 HE2 TYR 127 2HE TYR 127 9.602 -1.663 3.543 437 HH TYR 127 HH TYR 127 10.876 0.130 2.610 438 H ARG 128 H ARG 128 3.064 0.934 6.638 439 HA ARG 128 HA ARG 128 0.785 -0.901 6.548 440 HB2 ARG 128 2HB ARG 128 1.246 1.734 7.901 441 HB3 ARG 128 1HB ARG 128 -0.350 1.014 7.782 442 HG2 ARG 128 2HG ARG 128 0.254 -0.762 9.139 443 HG3 ARG 128 1HG ARG 128 1.970 -0.411 9.047 444 HD2 ARG 128 2HD ARG 128 1.479 1.776 10.141 445 HD3 ARG 128 1HD ARG 128 -0.158 1.317 10.298 446 HE ARG 128 HE ARG 128 0.379 -0.264 11.926 447 HH11 ARG 128 1HH1 ARG 128 3.318 1.203 10.653 448 HH12 ARG 128 2HH1 ARG 128 4.217 0.942 12.101 449 HH21 ARG 128 1HH2 ARG 128 1.623 -0.631 13.856 450 HH22 ARG 128 2HH2 ARG 128 3.254 -0.119 13.927 451 H LEU 129 H LEU 129 -1.109 -0.264 5.618 452 HA LEU 129 HA LEU 129 -0.785 1.817 3.604 453 HB2 LEU 129 2HB LEU 129 -2.679 -0.534 3.607 454 HB3 LEU 129 1HB LEU 129 -2.449 0.621 2.309 455 HG LEU 129 HG LEU 129 -0.454 -1.429 3.261 456 HD11 LEU 129 1HD1 LEU 129 -2.197 -2.420 1.934 457 HD12 LEU 129 2HD1 LEU 129 -0.683 -2.336 1.012 458 HD13 LEU 129 3HD1 LEU 129 -1.972 -1.185 0.691 459 HD21 LEU 129 3HD2 LEU 129 0.911 -0.715 1.414 460 HD22 LEU 129 1HD2 LEU 129 0.715 0.582 2.607 461 HD23 LEU 129 2HD2 LEU 129 -0.219 0.602 1.083 462 H CYS 130 H CYS 130 -1.942 3.571 3.955 463 HA CYS 130 HA CYS 130 -4.495 3.196 5.256 464 HB2 CYS 130 2HB CYS 130 -4.266 5.621 6.183 465 HB3 CYS 130 1HB CYS 130 -3.217 4.410 6.905 466 H CYS 131 H CYS 131 -6.210 4.112 4.330 467 HA CYS 131 HA CYS 131 -5.614 5.414 1.803 468 HB2 CYS 131 2HB CYS 131 -5.954 2.889 1.628 469 HB3 CYS 131 1HB CYS 131 -7.614 3.199 2.122 470 H ARG 132 H ARG 132 -7.494 6.475 0.936 471 HA ARG 132 HA ARG 132 -9.213 7.321 3.114 472 HB2 ARG 132 2HB ARG 132 -9.461 9.473 1.943 473 HB3 ARG 132 1HB ARG 132 -7.806 9.138 2.411 474 HG2 ARG 132 2HG ARG 132 -7.412 8.431 0.011 475 HG3 ARG 132 1HG ARG 132 -9.011 9.095 -0.355 476 HD2 ARG 132 2HD ARG 132 -8.244 11.264 0.689 477 HD3 ARG 132 1HD ARG 132 -6.667 10.466 0.823 478 HE ARG 132 HE ARG 132 -7.692 10.606 -1.848 479 HH11 ARG 132 1HH1 ARG 132 -5.790 12.251 0.664 480 HH12 ARG 132 2HH1 ARG 132 -4.854 13.151 -0.446 481 HH21 ARG 132 1HH2 ARG 132 -6.415 11.890 -3.358 482 HH22 ARG 132 2HH2 ARG 132 -5.215 12.940 -2.772 Start of MODEL 2 1 H1 ALA 1 1HT ALA 1 -12.403 -0.334 4.932 2 H2 ALA 1 2HT ALA 1 -11.111 -1.094 5.753 3 H3 ALA 1 3HT ALA 1 -12.208 -2.016 4.879 4 HA ALA 1 HA ALA 1 -11.471 -1.068 2.838 5 HB1 ALA 1 2HB ALA 1 -10.824 1.135 3.691 6 HB2 ALA 1 3HB ALA 1 -9.487 0.376 2.834 7 HB3 ALA 1 1HB ALA 1 -9.498 0.403 4.594 8 H THR 2 H THR 2 -10.280 -2.618 1.826 9 HA THR 2 HA THR 2 -8.180 -3.918 3.425 10 HB THR 2 HB THR 2 -9.906 -5.190 1.284 11 HG1 THR 2 1HG THR 2 -10.866 -4.606 3.370 12 HG21 THR 2 3HG2 THR 2 -7.916 -6.384 3.233 13 HG22 THR 2 1HG2 THR 2 -7.671 -6.196 1.497 14 HG23 THR 2 2HG2 THR 2 -8.908 -7.299 2.099 15 H CYS 3 H CYS 3 -6.301 -3.279 2.602 16 HA CYS 3 HA CYS 3 -6.087 -2.952 -0.312 17 HB2 CYS 3 2HB CYS 3 -4.529 -1.443 1.814 18 HB3 CYS 3 1HB CYS 3 -4.441 -1.190 0.089 19 H TYR 4 H TYR 4 -3.723 -3.362 -0.998 20 HA TYR 4 HA TYR 4 -2.051 -4.666 0.831 21 HB2 TYR 4 2HB TYR 4 -1.895 -6.846 -0.446 22 HB3 TYR 4 1HB TYR 4 -3.348 -6.629 0.508 23 HD1 TYR 4 1HD TYR 4 -1.994 -6.645 -2.930 24 HD2 TYR 4 2HD TYR 4 -5.489 -6.644 -0.513 25 HE1 TYR 4 1HE TYR 4 -3.332 -7.196 -4.891 26 HE2 TYR 4 2HE TYR 4 -6.858 -7.200 -2.468 27 HH TYR 4 HH TYR 4 -6.778 -7.033 -4.845 28 H CYS 5 H CYS 5 -0.008 -5.145 0.019 29 HA CYS 5 HA CYS 5 0.711 -3.199 -1.985 30 HB2 CYS 5 2HB CYS 5 2.559 -4.924 -0.296 31 HB3 CYS 5 1HB CYS 5 2.890 -3.393 -1.120 32 H ARG 6 H ARG 6 0.530 -3.953 -4.011 33 HA ARG 6 HA ARG 6 1.358 -6.698 -4.635 34 HB2 ARG 6 2HB ARG 6 0.294 -6.185 -6.909 35 HB3 ARG 6 1HB ARG 6 -0.797 -6.355 -5.542 36 HG2 ARG 6 2HG ARG 6 -1.250 -4.133 -5.451 37 HG3 ARG 6 1HG ARG 6 0.191 -3.654 -6.365 38 HD2 ARG 6 2HD ARG 6 -0.809 -4.541 -8.380 39 HD3 ARG 6 1HD ARG 6 -2.166 -5.183 -7.469 40 HE ARG 6 HE ARG 6 -2.517 -2.740 -6.862 41 HH11 ARG 6 1HH1 ARG 6 -1.164 -3.669 -9.972 42 HH12 ARG 6 2HH1 ARG 6 -2.054 -2.570 -10.899 43 HH21 ARG 6 1HH2 ARG 6 -3.806 -1.135 -8.166 44 HH22 ARG 6 2HH2 ARG 6 -3.558 -1.117 -9.848 45 H THR 7 H THR 7 2.704 -7.085 -6.498 46 HA THR 7 HA THR 7 4.703 -4.997 -6.725 47 HB THR 7 HB THR 7 6.130 -6.858 -7.585 48 HG1 THR 7 1HG THR 7 5.079 -8.559 -8.257 49 HG21 THR 7 3HG2 THR 7 4.710 -7.404 -4.978 50 HG22 THR 7 1HG2 THR 7 6.086 -6.331 -5.189 51 HG23 THR 7 2HG2 THR 7 6.269 -8.072 -5.439 52 H GLY 8 H GLY 8 2.052 -6.092 -8.388 53 HA2 GLY 8 2HA GLY 8 2.863 -4.802 -10.806 54 HA3 GLY 8 1HA GLY 8 2.534 -6.532 -10.954 55 H ARG 9 H ARG 9 0.519 -7.125 -11.214 56 HA ARG 9 HA ARG 9 -1.497 -5.100 -10.755 57 HB2 ARG 9 2HB ARG 9 -2.902 -6.441 -12.412 58 HB3 ARG 9 1HB ARG 9 -1.515 -5.581 -13.050 59 HG2 ARG 9 2HG ARG 9 -0.238 -7.639 -13.057 60 HG3 ARG 9 1HG ARG 9 -1.632 -8.526 -12.436 61 HD2 ARG 9 2HD ARG 9 -1.437 -8.772 -14.870 62 HD3 ARG 9 1HD ARG 9 -2.906 -7.898 -14.446 63 HE ARG 9 HE ARG 9 -0.690 -6.168 -14.966 64 HH11 ARG 9 1HH1 ARG 9 -3.227 -8.049 -16.598 65 HH12 ARG 9 2HH1 ARG 9 -3.312 -7.046 -17.940 66 HH21 ARG 9 1HH2 ARG 9 -0.806 -4.766 -16.828 67 HH22 ARG 9 2HH2 ARG 9 -1.892 -5.105 -18.083 68 H CYS 10 H CYS 10 -3.848 -6.256 -10.334 69 HA CYS 10 HA CYS 10 -3.550 -8.562 -8.609 70 HB2 CYS 10 2HB CYS 10 -4.729 -7.422 -6.732 71 HB3 CYS 10 1HB CYS 10 -3.153 -6.707 -6.976 72 H ALA 11 H ALA 11 -5.757 -9.256 -7.774 73 HA ALA 11 HA ALA 11 -7.528 -9.321 -9.986 74 HB1 ALA 11 1HB ALA 11 -8.855 -10.844 -8.648 75 HB2 ALA 11 2HB ALA 11 -7.931 -10.422 -7.210 76 HB3 ALA 11 3HB ALA 11 -7.148 -11.276 -8.541 77 H THR 12 H THR 12 -8.194 -7.401 -10.348 78 HA THR 12 HA THR 12 -10.613 -6.551 -9.666 79 HB THR 12 HB THR 12 -9.844 -5.960 -7.342 80 HG1 THR 12 1HG THR 12 -10.947 -4.133 -7.301 81 HG21 THR 12 3HG2 THR 12 -7.484 -5.442 -7.807 82 HG22 THR 12 1HG2 THR 12 -8.260 -4.099 -6.967 83 HG23 THR 12 2HG2 THR 12 -7.970 -4.005 -8.705 84 H ARG 13 H ARG 13 -7.328 -5.602 -10.345 85 HA ARG 13 HA ARG 13 -6.318 -4.446 -11.915 86 HB2 ARG 13 2HB ARG 13 -8.600 -5.570 -13.420 87 HB3 ARG 13 1HB ARG 13 -7.530 -4.412 -14.213 88 HG2 ARG 13 2HG ARG 13 -6.511 -6.866 -12.814 89 HG3 ARG 13 1HG ARG 13 -6.949 -6.852 -14.528 90 HD2 ARG 13 2HD ARG 13 -4.859 -5.078 -13.214 91 HD3 ARG 13 1HD ARG 13 -4.551 -6.469 -14.233 92 HE ARG 13 HE ARG 13 -6.142 -4.987 -15.800 93 HH11 ARG 13 1HH1 ARG 13 -3.126 -4.096 -14.084 94 HH12 ARG 13 2HH1 ARG 13 -2.650 -3.003 -15.284 95 HH21 ARG 13 1HH2 ARG 13 -5.439 -3.493 -17.400 96 HH22 ARG 13 2HH2 ARG 13 -3.980 -2.639 -17.203 97 H GLU 14 H GLU 14 -5.788 -2.573 -12.591 98 HA GLU 14 HA GLU 14 -5.708 -0.469 -12.992 99 HB2 GLU 14 2HB GLU 14 -8.582 -0.761 -13.761 100 HB3 GLU 14 1HB GLU 14 -7.670 0.733 -13.965 101 HG2 GLU 14 2HG GLU 14 -6.055 -0.418 -15.356 102 HG3 GLU 14 1HG GLU 14 -6.924 -1.928 -15.131 103 H SER 15 H SER 15 -7.698 -1.430 -10.480 104 HA SER 15 HA SER 15 -7.969 1.206 -9.447 105 HB2 SER 15 2HB SER 15 -9.573 -0.533 -8.737 106 HB3 SER 15 1HB SER 15 -8.265 -1.464 -8.009 107 HG SER 15 HG SER 15 -8.921 1.194 -7.223 108 H LEU 16 H LEU 16 -5.816 1.796 -9.843 109 HA LEU 16 HA LEU 16 -3.961 0.874 -7.791 110 HB2 LEU 16 2HB LEU 16 -3.186 0.865 -10.194 111 HB3 LEU 16 1HB LEU 16 -3.418 2.591 -10.257 112 HG LEU 16 HG LEU 16 -1.290 1.146 -8.616 113 HD11 LEU 16 1HD1 LEU 16 -1.125 2.732 -11.150 114 HD12 LEU 16 2HD1 LEU 16 -0.940 0.983 -10.991 115 HD13 LEU 16 3HD1 LEU 16 0.230 2.066 -10.238 116 HD21 LEU 16 3HD2 LEU 16 -1.942 3.285 -7.577 117 HD22 LEU 16 1HD2 LEU 16 -1.766 4.085 -9.141 118 HD23 LEU 16 2HD2 LEU 16 -0.360 3.407 -8.357 119 H SER 17 H SER 17 -3.877 1.999 -6.086 120 HA SER 17 HA SER 17 -5.140 4.631 -6.136 121 HB2 SER 17 2HB SER 17 -5.542 4.121 -3.720 122 HB3 SER 17 1HB SER 17 -6.377 3.088 -4.881 123 HG SER 17 HG SER 17 -5.296 2.056 -3.085 124 H GLY 18 H GLY 18 -2.164 3.071 -5.603 125 HA2 GLY 18 2HA GLY 18 -0.803 5.469 -5.103 126 HA3 GLY 18 1HA GLY 18 -1.002 4.569 -3.598 127 H VAL 19 H VAL 19 1.493 5.052 -4.650 128 HA VAL 19 HA VAL 19 2.338 2.317 -5.138 129 HB VAL 19 HB VAL 19 4.133 3.131 -6.711 130 HG11 VAL 19 1HG1 VAL 19 2.680 3.153 -8.706 131 HG12 VAL 19 2HG1 VAL 19 1.294 3.339 -7.612 132 HG13 VAL 19 3HG1 VAL 19 2.280 1.874 -7.554 133 HG21 VAL 19 3HG2 VAL 19 3.996 5.515 -6.264 134 HG22 VAL 19 1HG2 VAL 19 2.354 5.547 -6.905 135 HG23 VAL 19 2HG2 VAL 19 3.706 5.193 -7.979 136 H CYS 20 H CYS 20 4.343 1.823 -4.505 137 HA CYS 20 HA CYS 20 6.060 3.822 -3.369 138 HB2 CYS 20 2HB CYS 20 6.415 2.249 -1.350 139 HB3 CYS 20 1HB CYS 20 5.016 3.329 -1.266 140 H GLU 21 H GLU 21 8.005 3.460 -4.134 141 HA GLU 21 HA GLU 21 8.492 0.757 -5.053 142 HB2 GLU 21 2HB GLU 21 8.774 2.460 -6.760 143 HB3 GLU 21 1HB GLU 21 9.871 3.353 -5.753 144 HG2 GLU 21 2HG GLU 21 10.540 0.553 -6.570 145 HG3 GLU 21 1HG GLU 21 10.828 1.854 -7.697 146 H ILE 22 H ILE 22 9.718 -0.478 -4.074 147 HA ILE 22 HA ILE 22 11.461 0.558 -1.962 148 HB ILE 22 HB ILE 22 9.519 -1.748 -1.431 149 HG12 ILE 22 2HG1 ILE 22 9.179 1.139 -0.519 150 HG13 ILE 22 1HG1 ILE 22 8.300 0.427 -1.863 151 HG21 ILE 22 1HG2 ILE 22 11.190 -0.040 0.375 152 HG22 ILE 22 2HG2 ILE 22 11.533 -1.707 -0.102 153 HG23 ILE 22 3HG2 ILE 22 10.110 -1.343 0.871 154 HD11 ILE 22 3HD1 ILE 22 7.004 0.474 0.175 155 HD12 ILE 22 1HD1 ILE 22 8.240 -0.514 0.965 156 HD13 ILE 22 2HD1 ILE 22 7.318 -1.172 -0.393 157 H SER 23 H SER 23 13.263 -0.570 -1.884 158 HA SER 23 HA SER 23 14.983 -1.878 -2.487 159 HB2 SER 23 2HB SER 23 14.614 -4.353 -2.315 160 HB3 SER 23 1HB SER 23 13.945 -3.454 -0.962 161 HG SER 23 HG SER 23 12.041 -3.580 -2.730 162 H GLY 24 H GLY 24 13.512 -0.691 -4.771 163 HA2 GLY 24 2HA GLY 24 14.118 -0.682 -6.988 164 HA3 GLY 24 1HA GLY 24 14.796 -2.294 -6.807 165 H ARG 25 H ARG 25 11.828 -2.388 -5.417 166 HA ARG 25 HA ARG 25 10.620 -3.479 -7.837 167 HB2 ARG 25 2HB ARG 25 11.182 -5.101 -6.040 168 HB3 ARG 25 1HB ARG 25 10.216 -4.157 -4.926 169 HG2 ARG 25 2HG ARG 25 8.221 -4.644 -6.192 170 HG3 ARG 25 1HG ARG 25 9.214 -5.511 -7.374 171 HD2 ARG 25 2HD ARG 25 8.986 -6.246 -4.458 172 HD3 ARG 25 1HD ARG 25 8.062 -7.009 -5.748 173 HE ARG 25 HE ARG 25 10.485 -7.422 -6.643 174 HH11 ARG 25 1HH1 ARG 25 9.387 -7.686 -3.278 175 HH12 ARG 25 2HH1 ARG 25 10.392 -9.012 -2.919 176 HH21 ARG 25 1HH2 ARG 25 11.869 -9.247 -6.123 177 HH22 ARG 25 2HH2 ARG 25 11.821 -9.914 -4.552 178 H LEU 26 H LEU 26 8.465 -2.785 -8.287 179 HA LEU 26 HA LEU 26 7.754 -0.378 -6.833 180 HB2 LEU 26 2HB LEU 26 7.729 -0.912 -9.489 181 HB3 LEU 26 1HB LEU 26 6.088 -1.365 -9.062 182 HG LEU 26 HG LEU 26 5.816 0.821 -9.716 183 HD11 LEU 26 1HD1 LEU 26 5.351 2.204 -7.910 184 HD12 LEU 26 2HD1 LEU 26 6.225 1.134 -6.822 185 HD13 LEU 26 3HD1 LEU 26 4.759 0.554 -7.660 186 HD21 LEU 26 3HD2 LEU 26 8.113 1.414 -10.091 187 HD22 LEU 26 1HD2 LEU 26 8.402 1.487 -8.353 188 HD23 LEU 26 2HD2 LEU 26 7.335 2.664 -9.116 189 H TYR 27 H TYR 27 6.331 -0.541 -5.253 190 HA TYR 27 HA TYR 27 4.481 -2.751 -5.231 191 HB2 TYR 27 2HB TYR 27 5.609 -0.944 -3.148 192 HB3 TYR 27 1HB TYR 27 4.200 -1.876 -2.734 193 HD1 TYR 27 1HD TYR 27 4.407 -4.426 -2.971 194 HD2 TYR 27 2HD TYR 27 7.780 -1.835 -3.077 195 HE1 TYR 27 1HE TYR 27 5.865 -6.323 -2.491 196 HE2 TYR 27 2HE TYR 27 9.264 -3.748 -2.580 197 HH TYR 27 HH TYR 27 9.156 -6.015 -1.614 198 H ARG 28 H ARG 28 2.712 -2.343 -6.115 199 HA ARG 28 HA ARG 28 1.532 0.335 -6.179 200 HB2 ARG 28 2HB ARG 28 0.863 -2.239 -7.548 201 HB3 ARG 28 1HB ARG 28 -0.257 -0.889 -7.531 202 HG2 ARG 28 2HG ARG 28 1.207 0.441 -8.752 203 HG3 ARG 28 1HG ARG 28 2.541 -0.686 -8.599 204 HD2 ARG 28 2HD ARG 28 1.126 -2.366 -9.821 205 HD3 ARG 28 1HD ARG 28 -0.070 -1.164 -10.023 206 HE ARG 28 HE ARG 28 1.293 0.035 -11.521 207 HH11 ARG 28 1HH1 ARG 28 2.932 -2.843 -10.331 208 HH12 ARG 28 2HH1 ARG 28 3.937 -3.002 -11.699 209 HH21 ARG 28 1HH2 ARG 28 2.682 -0.134 -13.333 210 HH22 ARG 28 2HH2 ARG 28 3.818 -1.395 -13.458 211 H LEU 29 H LEU 29 -0.483 0.700 -5.378 212 HA LEU 29 HA LEU 29 -1.349 -1.287 -3.439 213 HB2 LEU 29 2HB LEU 29 -1.899 1.674 -3.466 214 HB3 LEU 29 1HB LEU 29 -2.306 0.533 -2.199 215 HG LEU 29 HG LEU 29 0.466 1.403 -2.991 216 HD11 LEU 29 1HD1 LEU 29 0.538 2.333 -0.742 217 HD12 LEU 29 2HD1 LEU 29 -1.165 1.926 -0.531 218 HD13 LEU 29 3HD1 LEU 29 -0.679 3.098 -1.762 219 HD21 LEU 29 3HD2 LEU 29 0.516 -0.915 -2.316 220 HD22 LEU 29 1HD2 LEU 29 -0.415 -0.507 -0.853 221 HD23 LEU 29 2HD2 LEU 29 1.219 0.139 -1.086 222 H CYS 30 H CYS 30 -3.171 -2.241 -3.891 223 HA CYS 30 HA CYS 30 -5.166 -0.683 -5.262 224 HB2 CYS 30 2HB CYS 30 -6.035 -2.886 -6.319 225 HB3 CYS 30 1HB CYS 30 -4.485 -2.312 -6.910 226 H CYS 31 H CYS 31 -7.260 -0.977 -4.463 227 HA CYS 31 HA CYS 31 -7.234 -2.437 -1.949 228 HB2 CYS 31 2HB CYS 31 -6.481 -0.037 -1.674 229 HB3 CYS 31 1HB CYS 31 -8.117 0.427 -2.115 230 H ARG 32 H ARG 32 -9.299 -2.746 -1.051 231 HA ARG 32 HA ARG 32 -11.567 -2.404 -2.867 232 HB2 ARG 32 2HB ARG 32 -12.229 -4.736 -2.462 233 HB3 ARG 32 1HB ARG 32 -10.657 -4.650 -3.236 234 HG2 ARG 32 2HG ARG 32 -9.576 -4.977 -1.034 235 HG3 ARG 32 1HG ARG 32 -11.180 -5.143 -0.319 236 HD2 ARG 32 2HD ARG 32 -9.993 -6.933 -2.437 237 HD3 ARG 32 1HD ARG 32 -10.130 -7.305 -0.718 238 HE ARG 32 HE ARG 32 -12.638 -6.623 -1.816 239 HH11 ARG 32 1HH1 ARG 32 -10.312 -9.289 -1.665 240 HH12 ARG 32 2HH1 ARG 32 -11.486 -10.498 -1.919 241 HH21 ARG 32 1HH2 ARG 32 -14.230 -8.291 -2.179 242 HH22 ARG 32 2HH2 ARG 32 -13.715 -9.930 -2.213 243 H1 ALA 101 H ALA 101 -9.777 6.881 -5.234 244 HA ALA 101 HA ALA 101 -9.656 5.585 -2.923 245 HB1 ALA 101 1HB ALA 101 -8.650 3.713 -5.072 246 HB2 ALA 101 2HB ALA 101 -10.101 3.462 -4.108 247 HB3 ALA 101 3HB ALA 101 -8.517 3.467 -3.336 248 H THR 102 H THR 102 -8.108 6.923 -2.155 249 HA THR 102 HA THR 102 -5.602 7.015 -3.690 250 HB THR 102 HB THR 102 -6.636 9.008 -1.641 251 HG1 THR 102 1HG THR 102 -7.297 8.744 -4.185 252 HG21 THR 102 3HG2 THR 102 -4.230 9.126 -3.478 253 HG22 THR 102 1HG2 THR 102 -4.190 8.906 -1.727 254 HG23 THR 102 2HG2 THR 102 -4.769 10.422 -2.409 255 H CYS 103 H CYS 103 -4.170 5.653 -2.753 256 HA CYS 103 HA CYS 103 -4.267 5.381 0.177 257 HB2 CYS 103 2HB CYS 103 -3.453 3.203 -1.773 258 HB3 CYS 103 1HB CYS 103 -3.628 3.051 -0.042 259 H TYR 104 H TYR 104 -2.033 4.609 1.009 260 HA TYR 104 HA TYR 104 0.169 4.869 -0.676 261 HB2 TYR 104 2HB TYR 104 1.268 6.831 0.446 262 HB3 TYR 104 1HB TYR 104 -0.099 7.241 -0.568 263 HD1 TYR 104 2HD TYR 104 -2.247 7.932 0.504 264 HD2 TYR 104 1HD TYR 104 1.303 7.333 2.758 265 HE1 TYR 104 2HE TYR 104 -3.210 9.234 2.332 266 HE2 TYR 104 1HE TYR 104 0.366 8.638 4.597 267 HH TYR 104 HH TYR 104 -2.902 9.426 4.789 268 H CYS 105 H CYS 105 2.159 4.413 0.304 269 HA CYS 105 HA CYS 105 1.768 2.468 2.397 270 HB2 CYS 105 2HB CYS 105 4.315 3.146 0.867 271 HB3 CYS 105 1HB CYS 105 3.898 1.668 1.742 272 H ARG 106 H ARG 106 2.390 2.797 4.484 273 HA ARG 106 HA ARG 106 4.297 4.875 5.062 274 HB2 ARG 106 2HB ARG 106 2.765 5.671 6.963 275 HB3 ARG 106 1HB ARG 106 2.488 6.287 5.358 276 HG2 ARG 106 2HG ARG 106 0.312 5.749 6.033 277 HG3 ARG 106 1HG ARG 106 0.860 4.318 5.194 278 HD2 ARG 106 2HD ARG 106 1.431 3.252 7.251 279 HD3 ARG 106 1HD ARG 106 0.911 4.661 8.174 280 HE ARG 106 HE ARG 106 -1.022 3.426 6.393 281 HH11 ARG 106 1HH1 ARG 106 0.073 3.818 9.733 282 HH12 ARG 106 2HH1 ARG 106 -1.391 3.355 10.435 283 HH21 ARG 106 1HH2 ARG 106 -3.090 2.686 7.403 284 HH22 ARG 106 2HH2 ARG 106 -3.213 2.738 9.089 285 H THR 107 H THR 107 5.425 4.706 6.814 286 HA THR 107 HA THR 107 5.810 1.990 7.635 287 HB THR 107 HB THR 107 7.881 2.922 8.673 288 HG1 THR 107 1HG THR 107 8.289 5.132 8.210 289 HG21 THR 107 3HG2 THR 107 7.861 2.156 6.364 290 HG22 THR 107 1HG2 THR 107 8.875 3.587 6.528 291 HG23 THR 107 2HG2 THR 107 7.260 3.726 5.832 292 H GLY 108 H GLY 108 4.095 4.556 8.894 293 HA2 GLY 108 2HA GLY 108 3.922 3.235 11.469 294 HA3 GLY 108 1HA GLY 108 4.416 4.931 11.456 295 H ARG 109 H ARG 109 2.877 6.328 11.596 296 HA ARG 109 HA ARG 109 0.260 5.407 10.837 297 HB2 ARG 109 2HB ARG 109 -0.626 7.402 12.064 298 HB3 ARG 109 1HB ARG 109 0.289 6.300 13.069 299 HG2 ARG 109 2HG ARG 109 2.222 7.776 12.900 300 HG3 ARG 109 1HG ARG 109 1.271 8.894 11.918 301 HD2 ARG 109 2HD ARG 109 1.317 9.635 14.256 302 HD3 ARG 109 1HD ARG 109 -0.311 9.167 13.781 303 HE ARG 109 HE ARG 109 1.038 6.968 14.928 304 HH11 ARG 109 1HH1 ARG 109 -0.512 10.016 15.873 305 HH12 ARG 109 2HH1 ARG 109 -0.882 9.493 17.438 306 HH21 ARG 109 1HH2 ARG 109 0.487 6.250 17.113 307 HH22 ARG 109 2HH2 ARG 109 -0.312 7.335 18.146 308 H CYS 110 H CYS 110 -1.114 7.603 9.966 309 HA CYS 110 HA CYS 110 0.634 9.226 8.327 310 HB2 CYS 110 2HB CYS 110 -0.766 8.823 6.313 311 HB3 CYS 110 1HB CYS 110 0.053 7.357 6.847 312 H ALA 111 H ALA 111 -0.577 11.049 7.355 313 HA ALA 111 HA ALA 111 -2.243 12.181 9.353 314 HB1 ALA 111 1HB ALA 111 -2.269 14.185 7.967 315 HB2 ALA 111 2HB ALA 111 -1.555 13.289 6.626 316 HB3 ALA 111 3HB ALA 111 -0.631 13.549 8.105 317 H THR 112 H THR 112 -3.909 10.834 9.438 318 HA THR 112 HA THR 112 -6.296 11.604 8.559 319 HB THR 112 HB THR 112 -5.728 10.938 6.207 320 HG1 THR 112 1HG THR 112 -7.671 9.309 7.481 321 HG21 THR 112 3HG2 THR 112 -5.488 8.555 5.607 322 HG22 THR 112 1HG2 THR 112 -5.531 8.122 7.317 323 HG23 THR 112 2HG2 THR 112 -4.185 9.068 6.681 324 H ARG 113 H ARG 113 -4.176 8.963 9.455 325 HA ARG 113 HA ARG 113 -4.356 7.197 10.872 326 HB2 ARG 113 2HB ARG 113 -6.302 9.113 12.143 327 HB3 ARG 113 1HB ARG 113 -5.873 7.575 12.865 328 HG2 ARG 113 2HG ARG 113 -3.880 9.698 12.176 329 HG3 ARG 113 1HG ARG 113 -4.641 9.554 13.765 330 HD2 ARG 113 2HD ARG 113 -2.911 7.471 12.396 331 HD3 ARG 113 1HD ARG 113 -2.443 8.491 13.739 332 HE ARG 113 HE ARG 113 -4.750 7.115 14.497 333 HH11 ARG 113 1HH1 ARG 113 -1.393 6.386 13.770 334 HH12 ARG 113 2HH1 ARG 113 -1.300 5.038 14.807 335 HH21 ARG 113 1HH2 ARG 113 -4.633 5.226 15.951 336 HH22 ARG 113 2HH2 ARG 113 -3.147 4.410 16.055 337 H GLU 114 H GLU 114 -6.327 5.973 12.274 338 HA GLU 114 HA GLU 114 -8.133 4.684 12.301 339 HB2 GLU 114 2HB GLU 114 -9.425 6.633 11.651 340 HB3 GLU 114 1HB GLU 114 -9.029 6.357 9.972 341 HG2 GLU 114 2HG GLU 114 -10.281 4.246 10.044 342 HG3 GLU 114 1HG GLU 114 -10.729 4.598 11.716 343 H SER 115 H SER 115 -7.610 5.185 8.849 344 HA SER 115 HA SER 115 -8.364 2.508 8.314 345 HB2 SER 115 2HB SER 115 -9.075 4.269 6.815 346 HB3 SER 115 1HB SER 115 -7.405 4.689 6.461 347 HG SER 115 HG SER 115 -8.848 3.110 5.095 348 H LEU 116 H LEU 116 -6.730 1.316 9.401 349 HA LEU 116 HA LEU 116 -4.366 1.109 7.697 350 HB2 LEU 116 2HB LEU 116 -3.945 1.078 10.196 351 HB3 LEU 116 1HB LEU 116 -4.902 -0.379 10.313 352 HG LEU 116 HG LEU 116 -2.213 -0.173 8.882 353 HD11 LEU 116 1HD1 LEU 116 -2.053 0.180 11.254 354 HD12 LEU 116 2HD1 LEU 116 -1.378 -1.378 10.763 355 HD13 LEU 116 3HD1 LEU 116 -2.964 -1.306 11.543 356 HD21 LEU 116 3HD2 LEU 116 -3.909 -2.570 9.631 357 HD22 LEU 116 1HD2 LEU 116 -2.294 -2.613 8.927 358 HD23 LEU 116 2HD2 LEU 116 -3.645 -1.977 7.992 359 H SER 117 H SER 117 -4.697 0.031 6.092 360 HA SER 117 HA SER 117 -6.922 -1.882 6.091 361 HB2 SER 117 2HB SER 117 -7.010 -1.274 3.666 362 HB3 SER 117 1HB SER 117 -7.397 0.018 4.805 363 HG SER 117 HG SER 117 -5.891 0.466 3.027 364 H GLY 118 H GLY 118 -3.610 -1.771 5.936 365 HA2 GLY 118 2HA GLY 118 -3.380 -4.475 5.286 366 HA3 GLY 118 1HA GLY 118 -2.960 -3.496 3.882 367 H VAL 119 H VAL 119 -1.155 -5.138 5.129 368 HA VAL 119 HA VAL 119 0.797 -3.150 5.839 369 HB VAL 119 HB VAL 119 1.830 -4.786 7.494 370 HG11 VAL 119 1HG1 VAL 119 0.823 -2.762 8.280 371 HG12 VAL 119 2HG1 VAL 119 0.409 -4.069 9.389 372 HG13 VAL 119 3HG1 VAL 119 -0.780 -3.492 8.203 373 HG21 VAL 119 3HG2 VAL 119 -0.940 -5.972 7.447 374 HG22 VAL 119 1HG2 VAL 119 0.309 -6.352 8.633 375 HG23 VAL 119 2HG2 VAL 119 0.550 -6.766 6.935 376 H CYS 120 H CYS 120 2.793 -3.636 5.196 377 HA CYS 120 HA CYS 120 3.422 -6.256 4.207 378 HB2 CYS 120 2HB CYS 120 4.468 -5.143 2.140 379 HB3 CYS 120 1HB CYS 120 2.714 -5.419 2.056 380 H GLU 121 H GLU 121 5.265 -6.735 5.128 381 HA GLU 121 HA GLU 121 6.945 -4.489 5.833 382 HB2 GLU 121 2HB GLU 121 6.319 -6.027 7.628 383 HB3 GLU 121 1HB GLU 121 7.013 -7.355 6.771 384 HG2 GLU 121 2HG GLU 121 8.715 -5.007 7.549 385 HG3 GLU 121 1HG GLU 121 8.381 -6.262 8.716 386 H ILE 122 H ILE 122 8.615 -4.070 4.831 387 HA ILE 122 HA ILE 122 9.642 -5.971 2.849 388 HB ILE 122 HB ILE 122 9.069 -3.059 2.119 389 HG12 ILE 122 2HG1 ILE 122 7.424 -5.514 1.371 390 HG13 ILE 122 1HG1 ILE 122 6.960 -4.335 2.586 391 HG21 ILE 122 1HG2 ILE 122 9.779 -5.463 0.477 392 HG22 ILE 122 2HG2 ILE 122 10.860 -4.135 0.900 393 HG23 ILE 122 3HG2 ILE 122 9.455 -3.837 -0.127 394 HD11 ILE 122 3HD1 ILE 122 7.461 -3.743 -0.284 395 HD12 ILE 122 1HD1 ILE 122 6.884 -2.619 0.940 396 HD13 ILE 122 2HD1 ILE 122 5.864 -3.985 0.445 397 H SER 123 H SER 123 11.712 -6.020 2.886 398 HA SER 123 HA SER 123 13.868 -5.755 3.472 399 HB2 SER 123 2HB SER 123 14.894 -3.518 2.956 400 HB3 SER 123 1HB SER 123 13.870 -4.143 1.671 401 HG SER 123 HG SER 123 12.319 -2.703 3.217 402 H GLY 124 H GLY 124 12.003 -5.655 5.747 403 HA2 GLY 124 2HA GLY 124 12.626 -5.735 7.968 404 HA3 GLY 124 1HA GLY 124 13.980 -4.672 7.616 405 H ARG 125 H ARG 125 11.218 -3.435 6.196 406 HA ARG 125 HA ARG 125 10.727 -1.739 8.525 407 HB2 ARG 125 2HB ARG 125 12.068 -0.710 6.662 408 HB3 ARG 125 1HB ARG 125 10.692 -0.972 5.609 409 HG2 ARG 125 2HG ARG 125 9.341 0.490 6.993 410 HG3 ARG 125 1HG ARG 125 10.742 0.668 8.069 411 HD2 ARG 125 2HD ARG 125 10.654 1.502 5.163 412 HD3 ARG 125 1HD ARG 125 10.524 2.591 6.540 413 HE ARG 125 HE ARG 125 12.845 1.226 6.932 414 HH11 ARG 125 1HH1 ARG 125 11.558 3.358 4.408 415 HH12 ARG 125 2HH1 ARG 125 13.080 3.887 3.874 416 HH21 ARG 125 1HH2 ARG 125 14.918 1.985 6.239 417 HH22 ARG 125 2HH2 ARG 125 15.071 3.099 4.953 418 H LEU 126 H LEU 126 8.472 -1.266 8.885 419 HA LEU 126 HA LEU 126 6.738 -3.162 7.515 420 HB2 LEU 126 2HB LEU 126 6.902 -2.494 10.166 421 HB3 LEU 126 1HB LEU 126 5.673 -1.372 9.610 422 HG LEU 126 HG LEU 126 4.434 -3.128 10.410 423 HD11 LEU 126 1HD1 LEU 126 3.325 -4.198 8.658 424 HD12 LEU 126 2HD1 LEU 126 4.602 -3.736 7.540 425 HD13 LEU 126 3HD1 LEU 126 3.608 -2.478 8.332 426 HD21 LEU 126 3HD2 LEU 126 6.420 -4.997 9.160 427 HD22 LEU 126 1HD2 LEU 126 4.894 -5.523 9.894 428 HD23 LEU 126 2HD2 LEU 126 6.118 -4.712 10.860 429 H TYR 127 H TYR 127 5.474 -2.458 5.933 430 HA TYR 127 HA TYR 127 4.895 0.368 5.760 431 HB2 TYR 127 2HB TYR 127 5.155 -1.816 3.766 432 HB3 TYR 127 1HB TYR 127 4.352 -0.375 3.246 433 HD1 TYR 127 1HD TYR 127 5.732 1.833 3.511 434 HD2 TYR 127 2HD TYR 127 7.477 -2.044 3.730 435 HE1 TYR 127 1HE TYR 127 7.940 2.806 3.053 436 HE2 TYR 127 2HE TYR 127 9.698 -1.070 3.255 437 HH TYR 127 HH TYR 127 10.699 0.918 2.300 438 H ARG 128 H ARG 128 3.120 0.680 6.831 439 HA ARG 128 HA ARG 128 0.815 -1.073 6.674 440 HB2 ARG 128 2HB ARG 128 1.378 1.544 7.991 441 HB3 ARG 128 1HB ARG 128 -0.256 0.905 7.901 442 HG2 ARG 128 2HG ARG 128 0.321 -0.888 9.257 443 HG3 ARG 128 1HG ARG 128 2.037 -0.551 9.162 444 HD2 ARG 128 2HD ARG 128 1.517 1.705 10.245 445 HD3 ARG 128 1HD ARG 128 -0.091 1.168 10.395 446 HE ARG 128 HE ARG 128 0.486 -0.476 11.945 447 HH11 ARG 128 1HH1 ARG 128 3.291 1.417 10.979 448 HH12 ARG 128 2HH1 ARG 128 4.177 1.100 12.404 449 HH21 ARG 128 1HH2 ARG 128 1.682 -0.930 13.881 450 HH22 ARG 128 2HH2 ARG 128 3.240 -0.272 14.087 451 H LEU 129 H LEU 129 -1.078 -0.433 5.712 452 HA LEU 129 HA LEU 129 -0.716 1.638 3.687 453 HB2 LEU 129 2HB LEU 129 -2.602 -0.707 3.703 454 HB3 LEU 129 1HB LEU 129 -2.381 0.447 2.388 455 HG LEU 129 HG LEU 129 -0.385 -1.582 3.379 456 HD11 LEU 129 1HD1 LEU 129 -2.116 -2.583 2.054 457 HD12 LEU 129 2HD1 LEU 129 -0.603 -2.504 1.127 458 HD13 LEU 129 3HD1 LEU 129 -1.896 -1.360 0.803 459 HD21 LEU 129 3HD2 LEU 129 1.002 -0.871 1.541 460 HD22 LEU 129 1HD2 LEU 129 0.772 0.434 2.716 461 HD23 LEU 129 2HD2 LEU 129 -0.138 0.435 1.184 462 H CYS 130 H CYS 130 -1.981 3.367 3.792 463 HA CYS 130 HA CYS 130 -4.498 3.075 5.176 464 HB2 CYS 130 2HB CYS 130 -4.270 5.460 6.081 465 HB3 CYS 130 1HB CYS 130 -3.107 4.327 6.741 466 H CYS 131 H CYS 131 -6.198 4.239 4.269 467 HA CYS 131 HA CYS 131 -5.483 5.426 1.728 468 HB2 CYS 131 2HB CYS 131 -5.967 2.937 1.560 469 HB3 CYS 131 1HB CYS 131 -7.625 3.337 1.988 470 H ARG 132 H ARG 132 -7.347 6.492 0.770 471 HA ARG 132 HA ARG 132 -9.376 7.323 2.641 472 HB2 ARG 132 2HB ARG 132 -9.032 9.707 1.810 473 HB3 ARG 132 1HB ARG 132 -7.818 9.077 2.917 474 HG2 ARG 132 2HG ARG 132 -6.307 8.659 1.062 475 HG3 ARG 132 1HG ARG 132 -7.586 9.163 -0.047 476 HD2 ARG 132 2HD ARG 132 -6.419 10.967 2.054 477 HD3 ARG 132 1HD ARG 132 -5.814 10.884 0.398 478 HE ARG 132 HE ARG 132 -8.640 11.334 0.665 479 HH11 ARG 132 1HH1 ARG 132 -5.468 12.881 0.419 480 HH12 ARG 132 2HH1 ARG 132 -6.072 14.299 -0.297 481 HH21 ARG 132 1HH2 ARG 132 -9.453 13.285 -0.324 482 HH22 ARG 132 2HH2 ARG 132 -8.386 14.531 -0.748 Start of MODEL 3 1 H1 ALA 1 1HT ALA 1 -11.795 0.203 5.405 2 H2 ALA 1 2HT ALA 1 -10.276 -0.419 5.859 3 H3 ALA 1 3HT ALA 1 -11.575 -1.457 5.717 4 HA ALA 1 HA ALA 1 -11.636 -1.045 3.338 5 HB1 ALA 1 2HB ALA 1 -9.731 0.222 2.359 6 HB2 ALA 1 3HB ALA 1 -9.212 0.641 3.984 7 HB3 ALA 1 1HB ALA 1 -10.750 1.244 3.380 8 H THR 2 H THR 2 -10.347 -2.510 2.020 9 HA THR 2 HA THR 2 -8.173 -3.751 3.520 10 HB THR 2 HB THR 2 -10.018 -5.179 1.599 11 HG1 THR 2 1HG THR 2 -9.979 -4.913 4.411 12 HG21 THR 2 3HG2 THR 2 -7.874 -6.203 3.479 13 HG22 THR 2 1HG2 THR 2 -7.756 -6.129 1.723 14 HG23 THR 2 2HG2 THR 2 -8.927 -7.205 2.484 15 H CYS 3 H CYS 3 -6.377 -3.237 2.677 16 HA CYS 3 HA CYS 3 -6.160 -2.976 -0.245 17 HB2 CYS 3 2HB CYS 3 -4.572 -1.432 1.826 18 HB3 CYS 3 1HB CYS 3 -4.587 -1.180 0.093 19 H TYR 4 H TYR 4 -3.770 -3.369 -0.876 20 HA TYR 4 HA TYR 4 -2.093 -4.626 0.973 21 HB2 TYR 4 2HB TYR 4 -1.976 -6.855 -0.228 22 HB3 TYR 4 1HB TYR 4 -3.424 -6.600 0.730 23 HD1 TYR 4 1HD TYR 4 -2.073 -6.788 -2.697 24 HD2 TYR 4 2HD TYR 4 -5.580 -6.567 -0.303 25 HE1 TYR 4 1HE TYR 4 -3.412 -7.370 -4.635 26 HE2 TYR 4 2HE TYR 4 -6.963 -7.155 -2.238 27 HH TYR 4 HH TYR 4 -6.855 -7.103 -4.630 28 H CYS 5 H CYS 5 -0.052 -5.051 0.166 29 HA CYS 5 HA CYS 5 0.582 -3.207 -1.953 30 HB2 CYS 5 2HB CYS 5 2.478 -4.770 -0.177 31 HB3 CYS 5 1HB CYS 5 2.804 -3.341 -1.163 32 H ARG 6 H ARG 6 0.601 -3.996 -3.945 33 HA ARG 6 HA ARG 6 1.573 -6.753 -4.503 34 HB2 ARG 6 2HB ARG 6 0.493 -6.330 -6.766 35 HB3 ARG 6 1HB ARG 6 -0.617 -6.567 -5.424 36 HG2 ARG 6 2HG ARG 6 -1.231 -4.397 -5.347 37 HG3 ARG 6 1HG ARG 6 0.202 -3.797 -6.203 38 HD2 ARG 6 2HD ARG 6 -0.680 -4.738 -8.255 39 HD3 ARG 6 1HD ARG 6 -2.039 -5.443 -7.389 40 HE ARG 6 HE ARG 6 -2.447 -2.983 -6.772 41 HH11 ARG 6 1HH1 ARG 6 -1.151 -3.987 -9.898 42 HH12 ARG 6 2HH1 ARG 6 -2.116 -2.936 -10.816 43 HH21 ARG 6 1HH2 ARG 6 -3.801 -1.448 -8.073 44 HH22 ARG 6 2HH2 ARG 6 -3.626 -1.485 -9.760 45 H THR 7 H THR 7 2.921 -7.180 -6.062 46 HA THR 7 HA THR 7 4.961 -5.142 -6.211 47 HB THR 7 HB THR 7 5.106 -7.975 -7.226 48 HG1 THR 7 1HG THR 7 4.642 -7.049 -4.694 49 HG21 THR 7 3HG2 THR 7 6.928 -6.357 -7.647 50 HG22 THR 7 1HG2 THR 7 7.410 -7.706 -6.581 51 HG23 THR 7 2HG2 THR 7 6.993 -6.126 -5.887 52 H GLY 8 H GLY 8 2.346 -6.001 -8.026 53 HA2 GLY 8 2HA GLY 8 3.193 -4.697 -10.370 54 HA3 GLY 8 1HA GLY 8 3.104 -6.444 -10.589 55 H ARG 9 H ARG 9 1.213 -7.362 -10.856 56 HA ARG 9 HA ARG 9 -1.067 -5.583 -10.683 57 HB2 ARG 9 2HB ARG 9 -2.271 -7.223 -12.109 58 HB3 ARG 9 1HB ARG 9 -0.809 -6.604 -12.860 59 HG2 ARG 9 2HG ARG 9 0.364 -8.651 -12.237 60 HG3 ARG 9 1HG ARG 9 -1.112 -9.258 -11.487 61 HD2 ARG 9 2HD ARG 9 -2.235 -9.212 -13.655 62 HD3 ARG 9 1HD ARG 9 -0.775 -8.568 -14.408 63 HE ARG 9 HE ARG 9 -0.044 -10.920 -13.147 64 HH11 ARG 9 1HH1 ARG 9 -2.190 -9.998 -15.817 65 HH12 ARG 9 2HH1 ARG 9 -2.046 -11.482 -16.630 66 HH21 ARG 9 1HH2 ARG 9 0.167 -12.915 -14.271 67 HH22 ARG 9 2HH2 ARG 9 -0.658 -13.196 -15.733 68 H CYS 10 H CYS 10 -3.178 -6.725 -10.018 69 HA CYS 10 HA CYS 10 -2.802 -8.931 -8.207 70 HB2 CYS 10 2HB CYS 10 -4.444 -7.865 -6.572 71 HB3 CYS 10 1HB CYS 10 -2.930 -7.009 -6.606 72 H ALA 11 H ALA 11 -5.068 -9.944 -7.755 73 HA ALA 11 HA ALA 11 -6.187 -10.241 -10.354 74 HB1 ALA 11 1HB ALA 11 -7.537 -12.023 -9.446 75 HB2 ALA 11 2HB ALA 11 -7.147 -11.518 -7.804 76 HB3 ALA 11 3HB ALA 11 -5.885 -12.176 -8.842 77 H THR 12 H THR 12 -6.798 -8.091 -10.545 78 HA THR 12 HA THR 12 -9.447 -7.739 -10.839 79 HB THR 12 HB THR 12 -9.783 -7.557 -8.396 80 HG1 THR 12 1HG THR 12 -10.250 -4.919 -8.781 81 HG21 THR 12 3HG2 THR 12 -7.569 -6.741 -7.689 82 HG22 THR 12 1HG2 THR 12 -8.841 -5.686 -7.069 83 HG23 THR 12 2HG2 THR 12 -7.886 -5.189 -8.467 84 H ARG 13 H ARG 13 -6.550 -5.948 -9.894 85 HA ARG 13 HA ARG 13 -5.497 -4.126 -10.700 86 HB2 ARG 13 2HB ARG 13 -6.642 -5.070 -13.320 87 HB3 ARG 13 1HB ARG 13 -5.435 -3.813 -13.166 88 HG2 ARG 13 2HG ARG 13 -3.972 -5.492 -12.026 89 HG3 ARG 13 1HG ARG 13 -5.158 -6.717 -12.500 90 HD2 ARG 13 2HD ARG 13 -3.729 -4.829 -14.303 91 HD3 ARG 13 1HD ARG 13 -3.327 -6.540 -14.105 92 HE ARG 13 HE ARG 13 -5.742 -6.876 -14.892 93 HH11 ARG 13 1HH1 ARG 13 -3.694 -4.213 -16.070 94 HH12 ARG 13 2HH1 ARG 13 -4.429 -4.140 -17.588 95 HH21 ARG 13 1HH2 ARG 13 -6.717 -6.779 -17.009 96 HH22 ARG 13 2HH2 ARG 13 -6.185 -5.637 -18.146 97 H GLU 14 H GLU 14 -6.033 -2.243 -12.610 98 HA GLU 14 HA GLU 14 -7.172 -0.417 -13.155 99 HB2 GLU 14 2HB GLU 14 -9.100 -1.846 -13.682 100 HB3 GLU 14 1HB GLU 14 -9.603 -1.805 -12.001 101 HG2 GLU 14 2HG GLU 14 -9.969 0.607 -12.181 102 HG3 GLU 14 1HG GLU 14 -9.490 0.542 -13.878 103 H SER 15 H SER 15 -8.207 -1.561 -9.987 104 HA SER 15 HA SER 15 -8.220 1.081 -8.933 105 HB2 SER 15 2HB SER 15 -9.772 -0.609 -8.034 106 HB3 SER 15 1HB SER 15 -8.414 -1.602 -7.517 107 HG SER 15 HG SER 15 -9.414 -0.257 -5.855 108 H LEU 16 H LEU 16 -6.043 1.496 -9.715 109 HA LEU 16 HA LEU 16 -4.060 0.629 -7.756 110 HB2 LEU 16 2HB LEU 16 -3.424 0.475 -10.195 111 HB3 LEU 16 1HB LEU 16 -3.622 2.208 -10.329 112 HG LEU 16 HG LEU 16 -1.459 0.821 -8.683 113 HD11 LEU 16 1HD1 LEU 16 -1.224 0.441 -11.049 114 HD12 LEU 16 2HD1 LEU 16 0.009 1.557 -10.444 115 HD13 LEU 16 3HD1 LEU 16 -1.376 2.174 -11.352 116 HD21 LEU 16 3HD2 LEU 16 -1.851 3.721 -9.463 117 HD22 LEU 16 1HD2 LEU 16 -0.448 3.041 -8.644 118 HD23 LEU 16 2HD2 LEU 16 -2.013 3.062 -7.833 119 H SER 17 H SER 17 -4.043 1.724 -6.129 120 HA SER 17 HA SER 17 -5.228 4.400 -6.215 121 HB2 SER 17 2HB SER 17 -5.730 3.900 -3.811 122 HB3 SER 17 1HB SER 17 -6.556 2.897 -5.007 123 HG SER 17 HG SER 17 -5.471 1.923 -3.097 124 H GLY 18 H GLY 18 -2.302 2.853 -5.746 125 HA2 GLY 18 2HA GLY 18 -0.988 5.228 -5.098 126 HA3 GLY 18 1HA GLY 18 -1.166 4.236 -3.652 127 H VAL 19 H VAL 19 1.284 4.858 -4.694 128 HA VAL 19 HA VAL 19 2.223 2.176 -5.246 129 HB VAL 19 HB VAL 19 3.977 3.075 -6.807 130 HG11 VAL 19 1HG1 VAL 19 2.538 3.120 -8.799 131 HG12 VAL 19 2HG1 VAL 19 1.138 3.271 -7.724 132 HG13 VAL 19 3HG1 VAL 19 2.137 1.808 -7.685 133 HG21 VAL 19 3HG2 VAL 19 3.522 5.154 -7.993 134 HG22 VAL 19 1HG2 VAL 19 3.790 5.428 -6.268 135 HG23 VAL 19 2HG2 VAL 19 2.149 5.454 -6.925 136 H CYS 20 H CYS 20 4.248 1.784 -4.621 137 HA CYS 20 HA CYS 20 5.859 3.855 -3.491 138 HB2 CYS 20 2HB CYS 20 6.278 2.295 -1.455 139 HB3 CYS 20 1HB CYS 20 4.865 3.361 -1.387 140 H GLU 21 H GLU 21 7.778 3.608 -4.313 141 HA GLU 21 HA GLU 21 8.454 0.936 -5.182 142 HB2 GLU 21 2HB GLU 21 8.555 2.716 -6.880 143 HB3 GLU 21 1HB GLU 21 9.703 3.590 -5.904 144 HG2 GLU 21 2HG GLU 21 10.349 0.815 -6.787 145 HG3 GLU 21 1HG GLU 21 10.514 2.124 -7.932 146 H ILE 22 H ILE 22 9.742 -0.173 -4.177 147 HA ILE 22 HA ILE 22 11.371 1.028 -2.041 148 HB ILE 22 HB ILE 22 9.778 -1.557 -1.675 149 HG12 ILE 22 2HG1 ILE 22 9.035 1.202 -0.629 150 HG13 ILE 22 1HG1 ILE 22 8.288 0.451 -2.037 151 HG21 ILE 22 1HG2 ILE 22 11.755 -1.328 -0.308 152 HG22 ILE 22 2HG2 ILE 22 10.278 -1.209 0.655 153 HG23 ILE 22 3HG2 ILE 22 11.190 0.246 0.249 154 HD11 ILE 22 3HD1 ILE 22 6.971 0.214 -0.042 155 HD12 ILE 22 1HD1 ILE 22 8.335 -0.618 0.720 156 HD13 ILE 22 2HD1 ILE 22 7.537 -1.347 -0.681 157 H SER 23 H SER 23 13.318 0.363 -2.202 158 HA SER 23 HA SER 23 15.271 -0.617 -2.856 159 HB2 SER 23 2HB SER 23 15.439 -3.072 -2.508 160 HB3 SER 23 1HB SER 23 14.544 -2.287 -1.215 161 HG SER 23 HG SER 23 12.692 -2.914 -2.834 162 H GLY 24 H GLY 24 13.494 0.164 -5.072 163 HA2 GLY 24 2HA GLY 24 13.783 0.139 -7.342 164 HA3 GLY 24 1HA GLY 24 14.901 -1.211 -7.174 165 H ARG 25 H ARG 25 11.835 -1.413 -5.677 166 HA ARG 25 HA ARG 25 10.835 -3.193 -7.768 167 HB2 ARG 25 2HB ARG 25 11.919 -4.233 -5.689 168 HB3 ARG 25 1HB ARG 25 10.635 -3.491 -4.783 169 HG2 ARG 25 2HG ARG 25 9.002 -4.851 -5.860 170 HG3 ARG 25 1HG ARG 25 10.258 -5.455 -6.969 171 HD2 ARG 25 2HD ARG 25 11.508 -6.358 -5.066 172 HD3 ARG 25 1HD ARG 25 10.241 -5.804 -3.974 173 HE ARG 25 HE ARG 25 8.849 -7.405 -5.513 174 HH11 ARG 25 1HH1 ARG 25 12.116 -7.927 -4.226 175 HH12 ARG 25 2HH1 ARG 25 11.952 -9.603 -4.082 176 HH21 ARG 25 1HH2 ARG 25 8.638 -9.792 -5.337 177 HH22 ARG 25 2HH2 ARG 25 9.947 -10.673 -4.735 178 H LEU 26 H LEU 26 8.634 -2.673 -8.234 179 HA LEU 26 HA LEU 26 7.708 -0.304 -6.830 180 HB2 LEU 26 2HB LEU 26 7.678 -0.966 -9.502 181 HB3 LEU 26 1HB LEU 26 6.055 -1.389 -8.990 182 HG LEU 26 HG LEU 26 5.797 0.749 -9.773 183 HD11 LEU 26 1HD1 LEU 26 4.718 0.595 -7.695 184 HD12 LEU 26 2HD1 LEU 26 5.322 2.225 -8.008 185 HD13 LEU 26 3HD1 LEU 26 6.169 1.187 -6.870 186 HD21 LEU 26 3HD2 LEU 26 8.378 1.510 -8.440 187 HD22 LEU 26 1HD2 LEU 26 7.297 2.642 -9.266 188 HD23 LEU 26 2HD2 LEU 26 8.069 1.341 -10.165 189 H TYR 27 H TYR 27 6.180 -0.437 -5.375 190 HA TYR 27 HA TYR 27 4.486 -2.772 -5.314 191 HB2 TYR 27 2HB TYR 27 5.550 -0.934 -3.239 192 HB3 TYR 27 1HB TYR 27 4.163 -1.881 -2.812 193 HD1 TYR 27 1HD TYR 27 4.432 -4.458 -3.050 194 HD2 TYR 27 2HD TYR 27 7.726 -1.763 -3.102 195 HE1 TYR 27 1HE TYR 27 5.946 -6.309 -2.490 196 HE2 TYR 27 2HE TYR 27 9.252 -3.621 -2.532 197 HH TYR 27 HH TYR 27 8.356 -6.873 -2.726 198 H ARG 28 H ARG 28 2.620 -2.447 -6.060 199 HA ARG 28 HA ARG 28 1.416 0.225 -6.186 200 HB2 ARG 28 2HB ARG 28 0.770 -2.377 -7.530 201 HB3 ARG 28 1HB ARG 28 -0.342 -1.021 -7.549 202 HG2 ARG 28 2HG ARG 28 1.107 0.279 -8.782 203 HG3 ARG 28 1HG ARG 28 2.478 -0.779 -8.529 204 HD2 ARG 28 2HD ARG 28 1.198 -2.545 -9.791 205 HD3 ARG 28 1HD ARG 28 -0.026 -1.382 -10.093 206 HE ARG 28 HE ARG 28 1.386 -0.166 -11.511 207 HH11 ARG 28 1HH1 ARG 28 3.071 -2.969 -10.166 208 HH12 ARG 28 2HH1 ARG 28 4.223 -3.038 -11.418 209 HH21 ARG 28 1HH2 ARG 28 2.966 -0.236 -13.150 210 HH22 ARG 28 2HH2 ARG 28 4.172 -1.443 -13.161 211 H LEU 29 H LEU 29 -0.645 0.524 -5.416 212 HA LEU 29 HA LEU 29 -1.416 -1.434 -3.399 213 HB2 LEU 29 2HB LEU 29 -2.065 1.514 -3.492 214 HB3 LEU 29 1HB LEU 29 -2.395 0.399 -2.182 215 HG LEU 29 HG LEU 29 0.331 1.337 -3.070 216 HD11 LEU 29 1HD1 LEU 29 0.454 2.329 -0.850 217 HD12 LEU 29 2HD1 LEU 29 -1.229 1.891 -0.567 218 HD13 LEU 29 3HD1 LEU 29 -0.817 3.047 -1.840 219 HD21 LEU 29 3HD2 LEU 29 -0.424 -0.499 -0.834 220 HD22 LEU 29 1HD2 LEU 29 1.177 0.168 -1.153 221 HD23 LEU 29 2HD2 LEU 29 0.466 -0.953 -2.322 222 H CYS 30 H CYS 30 -3.196 -2.518 -3.887 223 HA CYS 30 HA CYS 30 -5.259 -1.056 -5.279 224 HB2 CYS 30 2HB CYS 30 -6.076 -3.379 -6.224 225 HB3 CYS 30 1HB CYS 30 -4.606 -2.707 -6.925 226 H CYS 31 H CYS 31 -7.229 -1.066 -4.361 227 HA CYS 31 HA CYS 31 -7.390 -2.571 -1.866 228 HB2 CYS 31 2HB CYS 31 -6.452 -0.193 -1.596 229 HB3 CYS 31 1HB CYS 31 -8.038 0.348 -2.110 230 H ARG 32 H ARG 32 -9.516 -2.886 -1.172 231 HA ARG 32 HA ARG 32 -11.438 -2.673 -3.384 232 HB2 ARG 32 2HB ARG 32 -12.721 -4.412 -2.275 233 HB3 ARG 32 1HB ARG 32 -11.042 -4.907 -2.421 234 HG2 ARG 32 2HG ARG 32 -10.665 -4.299 -0.082 235 HG3 ARG 32 1HG ARG 32 -12.369 -3.856 0.061 236 HD2 ARG 32 2HD ARG 32 -12.981 -6.190 -0.566 237 HD3 ARG 32 1HD ARG 32 -11.241 -6.538 -0.607 238 HE ARG 32 HE ARG 32 -11.796 -5.498 1.877 239 HH11 ARG 32 1HH1 ARG 32 -12.743 -8.374 0.032 240 HH12 ARG 32 2HH1 ARG 32 -12.788 -9.394 1.393 241 HH21 ARG 32 1HH2 ARG 32 -11.811 -6.896 3.707 242 HH22 ARG 32 2HH2 ARG 32 -12.218 -8.551 3.535 243 H1 ALA 101 H ALA 101 -9.424 6.748 -5.490 244 HA ALA 101 HA ALA 101 -9.567 5.743 -2.939 245 HB1 ALA 101 1HB ALA 101 -8.478 3.550 -3.165 246 HB2 ALA 101 2HB ALA 101 -8.544 3.682 -4.908 247 HB3 ALA 101 3HB ALA 101 -10.042 3.549 -3.981 248 H THR 102 H THR 102 -7.937 6.881 -2.119 249 HA THR 102 HA THR 102 -5.413 6.824 -3.617 250 HB THR 102 HB THR 102 -6.402 8.959 -1.701 251 HG1 THR 102 1HG THR 102 -5.962 8.946 -4.491 252 HG21 THR 102 3HG2 THR 102 -3.837 8.814 -3.304 253 HG22 THR 102 1HG2 THR 102 -3.976 8.660 -1.550 254 HG23 THR 102 2HG2 THR 102 -4.374 10.188 -2.334 255 H CYS 103 H CYS 103 -4.100 5.459 -2.703 256 HA CYS 103 HA CYS 103 -4.198 5.124 0.219 257 HB2 CYS 103 2HB CYS 103 -3.345 3.083 -1.855 258 HB3 CYS 103 1HB CYS 103 -3.433 2.830 -0.127 259 H TYR 104 H TYR 104 -2.023 4.593 1.131 260 HA TYR 104 HA TYR 104 0.206 5.025 -0.526 261 HB2 TYR 104 2HB TYR 104 1.130 6.967 0.795 262 HB3 TYR 104 1HB TYR 104 -0.218 7.352 -0.257 263 HD1 TYR 104 2HD TYR 104 -2.418 7.904 0.719 264 HD2 TYR 104 1HD TYR 104 0.981 7.201 3.176 265 HE1 TYR 104 2HE TYR 104 -3.567 8.985 2.590 266 HE2 TYR 104 1HE TYR 104 -0.155 8.286 5.059 267 HH TYR 104 HH TYR 104 -3.475 8.981 5.020 268 H CYS 105 H CYS 105 2.106 4.432 0.327 269 HA CYS 105 HA CYS 105 1.778 2.466 2.400 270 HB2 CYS 105 2HB CYS 105 4.284 3.107 0.796 271 HB3 CYS 105 1HB CYS 105 3.844 1.629 1.650 272 H ARG 106 H ARG 106 2.096 3.147 4.498 273 HA ARG 106 HA ARG 106 4.333 4.916 4.888 274 HB2 ARG 106 2HB ARG 106 3.170 5.892 6.943 275 HB3 ARG 106 1HB ARG 106 2.696 6.465 5.370 276 HG2 ARG 106 2HG ARG 106 0.739 6.279 6.599 277 HG3 ARG 106 1HG ARG 106 0.765 4.865 5.552 278 HD2 ARG 106 2HD ARG 106 1.426 3.479 7.406 279 HD3 ARG 106 1HD ARG 106 1.552 4.875 8.478 280 HE ARG 106 HE ARG 106 -1.027 4.616 7.248 281 HH11 ARG 106 1HH1 ARG 106 0.806 3.608 10.139 282 HH12 ARG 106 2HH1 ARG 106 -0.570 3.284 11.060 283 HH21 ARG 106 1HH2 ARG 106 -2.944 4.170 8.645 284 HH22 ARG 106 2HH2 ARG 106 -2.675 3.566 10.219 285 H THR 107 H THR 107 5.662 4.752 6.414 286 HA THR 107 HA THR 107 6.127 2.038 7.227 287 HB THR 107 HB THR 107 8.289 3.061 8.007 288 HG1 THR 107 1HG THR 107 8.625 5.203 7.438 289 HG21 THR 107 3HG2 THR 107 7.432 3.558 5.154 290 HG22 THR 107 1HG2 THR 107 8.029 2.026 5.789 291 HG23 THR 107 2HG2 THR 107 9.097 3.425 5.721 292 H GLY 108 H GLY 108 4.477 4.473 8.625 293 HA2 GLY 108 2HA GLY 108 4.873 3.391 11.267 294 HA3 GLY 108 1HA GLY 108 5.198 5.115 11.050 295 H ARG 109 H ARG 109 3.592 6.431 11.207 296 HA ARG 109 HA ARG 109 0.925 5.290 10.904 297 HB2 ARG 109 2HB ARG 109 0.108 7.063 12.420 298 HB3 ARG 109 1HB ARG 109 1.306 6.032 13.192 299 HG2 ARG 109 2HG ARG 109 3.000 7.702 12.871 300 HG3 ARG 109 1HG ARG 109 1.856 8.722 11.993 301 HD2 ARG 109 2HD ARG 109 0.506 8.954 14.015 302 HD3 ARG 109 1HD ARG 109 1.611 7.888 14.889 303 HE ARG 109 HE ARG 109 3.203 9.846 13.918 304 HH11 ARG 109 1HH1 ARG 109 0.276 9.924 15.937 305 HH12 ARG 109 2HH1 ARG 109 0.766 11.285 16.831 306 HH21 ARG 109 1HH2 ARG 109 3.866 11.710 15.172 307 HH22 ARG 109 2HH2 ARG 109 2.864 12.324 16.397 308 H CYS 110 H CYS 110 -0.713 7.233 10.421 309 HA CYS 110 HA CYS 110 0.404 9.321 8.842 310 HB2 CYS 110 2HB CYS 110 -1.551 8.982 7.220 311 HB3 CYS 110 1HB CYS 110 -0.323 7.763 7.046 312 H ALA 111 H ALA 111 -1.595 10.939 8.549 313 HA ALA 111 HA ALA 111 -2.360 11.549 11.238 314 HB1 ALA 111 1HB ALA 111 -3.239 12.799 8.633 315 HB2 ALA 111 2HB ALA 111 -1.819 13.267 9.567 316 HB3 ALA 111 3HB ALA 111 -3.433 13.505 10.237 317 H THR 112 H THR 112 -3.434 9.077 10.135 318 HA THR 112 HA THR 112 -6.025 9.151 11.138 319 HB THR 112 HB THR 112 -6.580 10.137 8.987 320 HG1 THR 112 1HG THR 112 -8.105 8.814 9.645 321 HG21 THR 112 3HG2 THR 112 -5.167 7.775 7.748 322 HG22 THR 112 1HG2 THR 112 -4.658 9.448 7.682 323 HG23 THR 112 2HG2 THR 112 -6.118 8.941 6.815 324 H ARG 113 H ARG 113 -4.919 7.573 12.435 325 HA ARG 113 HA ARG 113 -3.647 5.343 11.235 326 HB2 ARG 113 2HB ARG 113 -4.327 5.894 14.092 327 HB3 ARG 113 1HB ARG 113 -3.563 4.398 13.580 328 HG2 ARG 113 2HG ARG 113 -1.761 5.769 12.550 329 HG3 ARG 113 1HG ARG 113 -2.496 7.190 13.297 330 HD2 ARG 113 2HD ARG 113 -1.580 4.739 14.732 331 HD3 ARG 113 1HD ARG 113 -0.634 6.226 14.603 332 HE ARG 113 HE ARG 113 -3.078 6.937 15.659 333 HH11 ARG 113 1HH1 ARG 113 -0.457 4.770 16.656 334 HH12 ARG 113 2HH1 ARG 113 -0.680 5.054 18.313 335 HH21 ARG 113 1HH2 ARG 113 -3.361 7.324 17.916 336 HH22 ARG 113 2HH2 ARG 113 -2.370 6.552 19.065 337 H GLU 114 H GLU 114 -6.851 5.858 12.347 338 HA GLU 114 HA GLU 114 -7.556 3.112 12.428 339 HB2 GLU 114 2HB GLU 114 -8.830 4.896 13.614 340 HB3 GLU 114 1HB GLU 114 -9.377 5.504 12.059 341 HG2 GLU 114 2HG GLU 114 -10.605 3.469 11.650 342 HG3 GLU 114 1HG GLU 114 -9.961 2.750 13.122 343 H SER 115 H SER 115 -6.782 5.081 9.898 344 HA SER 115 HA SER 115 -8.479 3.817 7.936 345 HB2 SER 115 2HB SER 115 -7.960 6.225 7.759 346 HB3 SER 115 1HB SER 115 -6.246 5.848 7.661 347 HG SER 115 HG SER 115 -8.242 5.642 5.748 348 H LEU 116 H LEU 116 -6.204 2.425 9.594 349 HA LEU 116 HA LEU 116 -4.371 1.636 7.497 350 HB2 LEU 116 2HB LEU 116 -3.689 1.705 9.958 351 HB3 LEU 116 1HB LEU 116 -4.788 0.393 10.270 352 HG LEU 116 HG LEU 116 -2.149 0.201 8.716 353 HD11 LEU 116 1HD1 LEU 116 -1.859 0.492 11.055 354 HD12 LEU 116 2HD1 LEU 116 -1.464 -1.154 10.559 355 HD13 LEU 116 3HD1 LEU 116 -2.986 -0.823 11.382 356 HD21 LEU 116 3HD2 LEU 116 -4.121 -1.973 9.464 357 HD22 LEU 116 1HD2 LEU 116 -2.550 -2.199 8.698 358 HD23 LEU 116 2HD2 LEU 116 -3.849 -1.387 7.824 359 H SER 117 H SER 117 -4.784 0.406 6.066 360 HA SER 117 HA SER 117 -7.212 -1.258 6.172 361 HB2 SER 117 2HB SER 117 -5.894 0.099 3.843 362 HB3 SER 117 1HB SER 117 -7.451 -0.730 3.853 363 HG SER 117 HG SER 117 -6.851 1.552 5.461 364 H GLY 118 H GLY 118 -3.827 -1.349 5.920 365 HA2 GLY 118 2HA GLY 118 -3.751 -4.097 5.424 366 HA3 GLY 118 1HA GLY 118 -3.368 -3.217 3.946 367 H VAL 119 H VAL 119 -1.531 -4.857 5.125 368 HA VAL 119 HA VAL 119 0.536 -2.938 5.758 369 HB VAL 119 HB VAL 119 1.548 -4.575 7.410 370 HG11 VAL 119 1HG1 VAL 119 0.220 -3.787 9.323 371 HG12 VAL 119 2HG1 VAL 119 -0.997 -3.176 8.187 372 HG13 VAL 119 3HG1 VAL 119 0.650 -2.523 8.180 373 HG21 VAL 119 3HG2 VAL 119 -1.258 -5.648 7.460 374 HG22 VAL 119 1HG2 VAL 119 0.020 -6.065 8.603 375 HG23 VAL 119 2HG2 VAL 119 0.179 -6.509 6.897 376 H CYS 120 H CYS 120 2.517 -3.539 5.179 377 HA CYS 120 HA CYS 120 2.983 -6.169 4.140 378 HB2 CYS 120 2HB CYS 120 4.094 -5.119 2.088 379 HB3 CYS 120 1HB CYS 120 2.323 -5.208 2.033 380 H GLU 121 H GLU 121 4.790 -6.787 5.041 381 HA GLU 121 HA GLU 121 6.623 -4.688 5.786 382 HB2 GLU 121 2HB GLU 121 5.934 -6.174 7.584 383 HB3 GLU 121 1HB GLU 121 6.453 -7.560 6.688 384 HG2 GLU 121 2HG GLU 121 8.428 -5.424 7.394 385 HG3 GLU 121 1HG GLU 121 7.986 -6.619 8.590 386 H ILE 122 H ILE 122 8.255 -4.344 4.741 387 HA ILE 122 HA ILE 122 9.128 -6.266 2.701 388 HB ILE 122 HB ILE 122 8.849 -3.270 2.199 389 HG12 ILE 122 2HG1 ILE 122 7.014 -5.522 1.260 390 HG13 ILE 122 1HG1 ILE 122 6.638 -4.363 2.521 391 HG21 ILE 122 1HG2 ILE 122 10.589 -4.357 0.916 392 HG22 ILE 122 2HG2 ILE 122 9.236 -3.875 -0.107 393 HG23 ILE 122 3HG2 ILE 122 9.433 -5.565 0.356 394 HD11 ILE 122 3HD1 ILE 122 5.604 -3.774 0.418 395 HD12 ILE 122 1HD1 ILE 122 7.203 -3.713 -0.332 396 HD13 ILE 122 2HD1 ILE 122 6.792 -2.562 0.935 397 H SER 123 H SER 123 11.169 -6.545 2.762 398 HA SER 123 HA SER 123 13.334 -6.580 3.406 399 HB2 SER 123 2HB SER 123 14.597 -4.454 2.960 400 HB3 SER 123 1HB SER 123 13.518 -4.947 1.656 401 HG SER 123 HG SER 123 12.124 -3.399 3.254 402 H GLY 124 H GLY 124 11.462 -6.300 5.666 403 HA2 GLY 124 2HA GLY 124 11.896 -6.343 7.900 404 HA3 GLY 124 1HA GLY 124 13.457 -5.587 7.611 405 H ARG 125 H ARG 125 10.776 -4.073 6.119 406 HA ARG 125 HA ARG 125 10.624 -2.114 8.281 407 HB2 ARG 125 2HB ARG 125 12.056 -1.524 6.252 408 HB3 ARG 125 1HB ARG 125 10.575 -1.565 5.318 409 HG2 ARG 125 2HG ARG 125 9.672 0.250 6.653 410 HG3 ARG 125 1HG ARG 125 11.149 0.184 7.640 411 HD2 ARG 125 2HD ARG 125 12.491 0.677 5.623 412 HD3 ARG 125 1HD ARG 125 11.004 0.825 4.695 413 HE ARG 125 HE ARG 125 11.129 2.570 6.961 414 HH11 ARG 125 1HH1 ARG 125 11.984 2.178 3.565 415 HH12 ARG 125 2HH1 ARG 125 12.169 3.838 3.246 416 HH21 ARG 125 1HH2 ARG 125 11.394 4.935 6.528 417 HH22 ARG 125 2HH2 ARG 125 11.815 5.417 4.968 418 H LEU 126 H LEU 126 8.430 -1.506 8.716 419 HA LEU 126 HA LEU 126 6.481 -3.217 7.385 420 HB2 LEU 126 2HB LEU 126 6.791 -2.550 10.033 421 HB3 LEU 126 1HB LEU 126 5.580 -1.399 9.503 422 HG LEU 126 HG LEU 126 4.317 -3.105 10.345 423 HD11 LEU 126 1HD1 LEU 126 4.392 -3.717 7.462 424 HD12 LEU 126 2HD1 LEU 126 3.449 -2.459 8.288 425 HD13 LEU 126 3HD1 LEU 126 3.137 -4.171 8.619 426 HD21 LEU 126 3HD2 LEU 126 4.695 -5.515 9.840 427 HD22 LEU 126 1HD2 LEU 126 5.998 -4.744 10.753 428 HD23 LEU 126 2HD2 LEU 126 6.205 -5.023 9.045 429 H TYR 127 H TYR 127 5.293 -2.418 5.808 430 HA TYR 127 HA TYR 127 4.810 0.435 5.659 431 HB2 TYR 127 2HB TYR 127 4.942 -1.783 3.699 432 HB3 TYR 127 1HB TYR 127 4.108 -0.355 3.186 433 HD1 TYR 127 1HD TYR 127 5.450 1.814 3.160 434 HD2 TYR 127 2HD TYR 127 7.287 -1.982 3.707 435 HE1 TYR 127 1HE TYR 127 7.610 2.781 2.538 436 HE2 TYR 127 2HE TYR 127 9.476 -1.007 3.069 437 HH TYR 127 HH TYR 127 10.371 0.885 1.891 438 H ARG 128 H ARG 128 2.995 0.973 6.560 439 HA ARG 128 HA ARG 128 0.659 -0.795 6.539 440 HB2 ARG 128 2HB ARG 128 1.377 1.714 7.990 441 HB3 ARG 128 1HB ARG 128 -0.280 1.119 7.971 442 HG2 ARG 128 2HG ARG 128 0.307 -0.760 9.166 443 HG3 ARG 128 1HG ARG 128 2.028 -0.538 8.898 444 HD2 ARG 128 2HD ARG 128 1.856 1.585 10.189 445 HD3 ARG 128 1HD ARG 128 0.214 1.285 10.459 446 HE ARG 128 HE ARG 128 0.752 -0.693 11.742 447 HH11 ARG 128 1HH1 ARG 128 3.503 1.378 11.029 448 HH12 ARG 128 2HH1 ARG 128 4.371 0.996 12.445 449 HH21 ARG 128 1HH2 ARG 128 1.885 -1.262 13.631 450 HH22 ARG 128 2HH2 ARG 128 3.420 -0.593 13.989 451 H LEU 129 H LEU 129 -1.133 -0.280 5.491 452 HA LEU 129 HA LEU 129 -0.890 1.896 3.553 453 HB2 LEU 129 2HB LEU 129 -2.745 -0.470 3.515 454 HB3 LEU 129 1HB LEU 129 -2.442 0.666 2.216 455 HG LEU 129 HG LEU 129 -0.511 -1.371 3.300 456 HD11 LEU 129 1HD1 LEU 129 -0.670 -2.332 1.063 457 HD12 LEU 129 2HD1 LEU 129 -1.949 -1.179 0.673 458 HD13 LEU 129 3HD1 LEU 129 -2.199 -2.385 1.941 459 HD21 LEU 129 3HD2 LEU 129 0.717 0.591 2.652 460 HD22 LEU 129 1HD2 LEU 129 -0.168 0.640 1.105 461 HD23 LEU 129 2HD2 LEU 129 0.910 -0.711 1.466 462 H CYS 130 H CYS 130 -1.951 3.665 4.238 463 HA CYS 130 HA CYS 130 -4.644 3.176 5.179 464 HB2 CYS 130 2HB CYS 130 -4.505 5.639 6.128 465 HB3 CYS 130 1HB CYS 130 -3.701 4.343 7.015 466 H CYS 131 H CYS 131 -6.369 4.399 4.271 467 HA CYS 131 HA CYS 131 -5.580 5.525 1.712 468 HB2 CYS 131 2HB CYS 131 -5.719 2.994 1.569 469 HB3 CYS 131 1HB CYS 131 -7.423 3.175 1.923 470 H ARG 132 H ARG 132 -7.057 6.838 0.867 471 HA ARG 132 HA ARG 132 -9.442 7.335 2.455 472 HB2 ARG 132 2HB ARG 132 -9.484 9.592 1.345 473 HB3 ARG 132 1HB ARG 132 -8.077 9.313 2.355 474 HG2 ARG 132 2HG ARG 132 -6.740 8.867 0.363 475 HG3 ARG 132 1HG ARG 132 -8.168 9.124 -0.645 476 HD2 ARG 132 2HD ARG 132 -6.907 11.180 1.177 477 HD3 ARG 132 1HD ARG 132 -6.703 11.110 -0.570 478 HE ARG 132 HE ARG 132 -9.414 11.172 -0.094 479 HH11 ARG 132 1HH1 ARG 132 -6.663 13.337 0.438 480 HH12 ARG 132 2HH1 ARG 132 -7.587 14.763 0.349 481 HH21 ARG 132 1HH2 ARG 132 -10.659 13.108 -0.215 482 HH22 ARG 132 2HH2 ARG 132 -9.940 14.636 -0.014 Start of MODEL 4 1 H1 ALA 1 1HT ALA 1 -12.532 -0.579 4.600 2 H2 ALA 1 2HT ALA 1 -11.489 -1.483 5.603 3 H3 ALA 1 3HT ALA 1 -12.369 -2.251 4.404 4 HA ALA 1 HA ALA 1 -11.164 -1.156 2.696 5 HB1 ALA 1 2HB ALA 1 -9.280 0.294 3.226 6 HB2 ALA 1 3HB ALA 1 -9.608 0.135 4.940 7 HB3 ALA 1 1HB ALA 1 -10.767 0.964 3.901 8 H THR 2 H THR 2 -10.042 -2.725 1.875 9 HA THR 2 HA THR 2 -7.936 -3.935 3.503 10 HB THR 2 HB THR 2 -9.550 -5.366 1.377 11 HG1 THR 2 1HG THR 2 -10.162 -4.870 3.983 12 HG21 THR 2 3HG2 THR 2 -7.594 -6.383 3.449 13 HG22 THR 2 1HG2 THR 2 -7.283 -6.221 1.716 14 HG23 THR 2 2HG2 THR 2 -8.489 -7.372 2.290 15 H CYS 3 H CYS 3 -6.099 -3.228 2.609 16 HA CYS 3 HA CYS 3 -6.027 -2.865 -0.306 17 HB2 CYS 3 2HB CYS 3 -4.458 -1.255 1.731 18 HB3 CYS 3 1HB CYS 3 -4.589 -0.952 0.013 19 H TYR 4 H TYR 4 -3.715 -3.215 -1.115 20 HA TYR 4 HA TYR 4 -1.954 -4.480 0.695 21 HB2 TYR 4 2HB TYR 4 -1.841 -6.656 -0.629 22 HB3 TYR 4 1HB TYR 4 -3.234 -6.441 0.415 23 HD1 TYR 4 2HD TYR 4 -5.455 -6.089 -0.538 24 HD2 TYR 4 1HD TYR 4 -2.080 -6.746 -3.040 25 HE1 TYR 4 2HE TYR 4 -6.956 -6.575 -2.410 26 HE2 TYR 4 1HE TYR 4 -3.574 -7.239 -4.919 27 HH TYR 4 HH TYR 4 -6.884 -6.527 -4.844 28 H CYS 5 H CYS 5 0.085 -4.824 -0.055 29 HA CYS 5 HA CYS 5 0.815 -2.972 -2.141 30 HB2 CYS 5 2HB CYS 5 2.636 -4.597 -0.326 31 HB3 CYS 5 1HB CYS 5 3.023 -3.169 -1.285 32 H ARG 6 H ARG 6 0.585 -3.936 -4.159 33 HA ARG 6 HA ARG 6 1.970 -6.480 -4.482 34 HB2 ARG 6 2HB ARG 6 0.484 -6.958 -6.480 35 HB3 ARG 6 1HB ARG 6 -0.227 -7.131 -4.900 36 HG2 ARG 6 2HG ARG 6 -1.831 -6.161 -6.261 37 HG3 ARG 6 1HG ARG 6 -1.237 -4.863 -5.233 38 HD2 ARG 6 2HD ARG 6 0.121 -4.030 -7.113 39 HD3 ARG 6 1HD ARG 6 -0.487 -5.329 -8.139 40 HE ARG 6 HE ARG 6 -2.586 -3.825 -6.946 41 HH11 ARG 6 1HH1 ARG 6 -0.444 -3.781 -9.827 42 HH12 ARG 6 2HH1 ARG 6 -1.468 -2.793 -10.711 43 HH21 ARG 6 1HH2 ARG 6 -3.972 -2.464 -8.293 44 HH22 ARG 6 2HH2 ARG 6 -3.462 -2.036 -9.867 45 H THR 7 H THR 7 3.167 -6.958 -6.183 46 HA THR 7 HA THR 7 4.520 -4.621 -7.190 47 HB THR 7 HB THR 7 6.237 -6.365 -7.854 48 HG1 THR 7 1HG THR 7 5.426 -8.339 -7.774 49 HG21 THR 7 3HG2 THR 7 5.337 -6.134 -4.990 50 HG22 THR 7 1HG2 THR 7 6.414 -5.023 -5.828 51 HG23 THR 7 2HG2 THR 7 6.919 -6.691 -5.508 52 H GLY 8 H GLY 8 2.048 -6.356 -8.355 53 HA2 GLY 8 2HA GLY 8 2.925 -5.901 -11.106 54 HA3 GLY 8 1HA GLY 8 2.206 -7.452 -10.674 55 H ARG 9 H ARG 9 0.065 -7.616 -10.444 56 HA ARG 9 HA ARG 9 -1.523 -5.188 -10.577 57 HB2 ARG 9 2HB ARG 9 -3.019 -6.282 -12.187 58 HB3 ARG 9 1HB ARG 9 -1.411 -6.029 -12.854 59 HG2 ARG 9 2HG ARG 9 -0.899 -8.376 -12.330 60 HG3 ARG 9 1HG ARG 9 -2.572 -8.594 -11.814 61 HD2 ARG 9 2HD ARG 9 -2.290 -9.346 -14.119 62 HD3 ARG 9 1HD ARG 9 -3.327 -7.923 -14.049 63 HE ARG 9 HE ARG 9 -0.817 -6.930 -14.421 64 HH11 ARG 9 1HH1 ARG 9 -2.809 -9.228 -16.228 65 HH12 ARG 9 2HH1 ARG 9 -2.150 -8.816 -17.736 66 HH21 ARG 9 1HH2 ARG 9 0.066 -6.363 -16.443 67 HH22 ARG 9 2HH2 ARG 9 -0.451 -7.140 -17.868 68 H CYS 10 H CYS 10 -4.019 -6.107 -10.244 69 HA CYS 10 HA CYS 10 -3.975 -8.329 -8.400 70 HB2 CYS 10 2HB CYS 10 -5.200 -7.000 -6.672 71 HB3 CYS 10 1HB CYS 10 -3.541 -6.485 -6.862 72 H ALA 11 H ALA 11 -6.130 -9.070 -7.828 73 HA ALA 11 HA ALA 11 -7.873 -8.930 -10.063 74 HB1 ALA 11 1HB ALA 11 -9.278 -10.495 -8.812 75 HB2 ALA 11 2HB ALA 11 -8.305 -10.222 -7.368 76 HB3 ALA 11 3HB ALA 11 -7.591 -11.006 -8.778 77 H THR 12 H THR 12 -8.535 -6.958 -10.289 78 HA THR 12 HA THR 12 -10.867 -5.985 -9.556 79 HB THR 12 HB THR 12 -10.057 -5.797 -7.140 80 HG1 THR 12 1HG THR 12 -11.612 -4.395 -7.567 81 HG21 THR 12 3HG2 THR 12 -8.431 -4.034 -6.540 82 HG22 THR 12 1HG2 THR 12 -8.142 -3.738 -8.253 83 HG23 THR 12 2HG2 THR 12 -7.696 -5.287 -7.542 84 H ARG 13 H ARG 13 -7.537 -5.550 -10.213 85 HA ARG 13 HA ARG 13 -6.337 -4.432 -11.586 86 HB2 ARG 13 2HB ARG 13 -8.788 -4.798 -13.133 87 HB3 ARG 13 1HB ARG 13 -7.603 -3.681 -13.791 88 HG2 ARG 13 2HG ARG 13 -7.086 -6.563 -13.034 89 HG3 ARG 13 1HG ARG 13 -7.310 -5.948 -14.676 90 HD2 ARG 13 2HD ARG 13 -5.002 -5.319 -12.783 91 HD3 ARG 13 1HD ARG 13 -4.948 -6.117 -14.342 92 HE ARG 13 HE ARG 13 -6.035 -3.450 -14.427 93 HH11 ARG 13 1HH1 ARG 13 -3.112 -5.385 -14.855 94 HH12 ARG 13 2HH1 ARG 13 -2.256 -4.127 -15.620 95 HH21 ARG 13 1HH2 ARG 13 -4.941 -1.794 -15.404 96 HH22 ARG 13 2HH2 ARG 13 -3.344 -1.981 -15.957 97 H GLU 14 H GLU 14 -9.147 -2.397 -12.266 98 HA GLU 14 HA GLU 14 -7.266 -0.226 -12.132 99 HB2 GLU 14 2HB GLU 14 -10.211 -0.074 -12.783 100 HB3 GLU 14 1HB GLU 14 -8.997 1.160 -13.086 101 HG2 GLU 14 2HG GLU 14 -9.175 -1.544 -14.410 102 HG3 GLU 14 1HG GLU 14 -9.541 0.012 -15.142 103 H SER 15 H SER 15 -6.842 -0.433 -10.029 104 HA SER 15 HA SER 15 -8.503 1.155 -8.264 105 HB2 SER 15 2HB SER 15 -9.333 -1.155 -7.952 106 HB3 SER 15 1HB SER 15 -7.691 -1.701 -7.638 107 HG SER 15 HG SER 15 -9.492 -0.534 -5.991 108 H LEU 16 H LEU 16 -5.808 1.072 -9.703 109 HA LEU 16 HA LEU 16 -3.949 0.780 -7.541 110 HB2 LEU 16 2HB LEU 16 -3.383 0.241 -9.966 111 HB3 LEU 16 1HB LEU 16 -3.515 1.936 -10.323 112 HG LEU 16 HG LEU 16 -1.328 0.698 -8.588 113 HD11 LEU 16 1HD1 LEU 16 0.074 1.163 -10.456 114 HD12 LEU 16 2HD1 LEU 16 -1.308 1.759 -11.379 115 HD13 LEU 16 3HD1 LEU 16 -1.225 0.057 -10.911 116 HD21 LEU 16 3HD2 LEU 16 -0.279 2.881 -8.796 117 HD22 LEU 16 1HD2 LEU 16 -1.837 3.056 -7.984 118 HD23 LEU 16 2HD2 LEU 16 -1.668 3.497 -9.686 119 H SER 17 H SER 17 -3.788 2.195 -6.164 120 HA SER 17 HA SER 17 -4.936 4.881 -6.595 121 HB2 SER 17 2HB SER 17 -5.484 4.684 -4.158 122 HB3 SER 17 1HB SER 17 -6.324 3.565 -5.235 123 HG SER 17 HG SER 17 -5.152 1.938 -4.530 124 H GLY 18 H GLY 18 -2.100 3.245 -5.948 125 HA2 GLY 18 2HA GLY 18 -0.665 5.584 -5.478 126 HA3 GLY 18 1HA GLY 18 -0.920 4.695 -3.975 127 H VAL 19 H VAL 19 1.559 5.110 -5.057 128 HA VAL 19 HA VAL 19 2.340 2.343 -5.409 129 HB VAL 19 HB VAL 19 4.177 3.063 -6.968 130 HG11 VAL 19 1HG1 VAL 19 1.368 3.311 -8.003 131 HG12 VAL 19 2HG1 VAL 19 2.283 1.803 -7.797 132 HG13 VAL 19 3HG1 VAL 19 2.792 2.982 -8.998 133 HG21 VAL 19 3HG2 VAL 19 2.438 5.485 -7.291 134 HG22 VAL 19 1HG2 VAL 19 3.803 5.072 -8.330 135 HG23 VAL 19 2HG2 VAL 19 4.074 5.448 -6.619 136 H CYS 20 H CYS 20 4.316 1.852 -4.695 137 HA CYS 20 HA CYS 20 5.986 3.908 -3.586 138 HB2 CYS 20 2HB CYS 20 6.300 2.460 -1.499 139 HB3 CYS 20 1HB CYS 20 4.824 3.439 -1.508 140 H GLU 21 H GLU 21 7.904 3.532 -4.364 141 HA GLU 21 HA GLU 21 8.490 0.790 -5.074 142 HB2 GLU 21 2HB GLU 21 8.770 2.437 -6.842 143 HB3 GLU 21 1HB GLU 21 9.836 3.375 -5.857 144 HG2 GLU 21 2HG GLU 21 10.553 0.550 -6.562 145 HG3 GLU 21 1HG GLU 21 10.829 1.833 -7.722 146 H ILE 22 H ILE 22 9.753 -0.341 -4.012 147 HA ILE 22 HA ILE 22 11.334 0.881 -1.885 148 HB ILE 22 HB ILE 22 9.471 -1.486 -1.407 149 HG12 ILE 22 2HG1 ILE 22 9.070 1.448 -0.608 150 HG13 ILE 22 1HG1 ILE 22 8.190 0.579 -1.850 151 HG21 ILE 22 1HG2 ILE 22 11.109 0.199 0.462 152 HG22 ILE 22 2HG2 ILE 22 11.457 -1.458 -0.024 153 HG23 ILE 22 3HG2 ILE 22 10.012 -1.103 0.926 154 HD11 ILE 22 3HD1 ILE 22 6.951 0.788 0.209 155 HD12 ILE 22 1HD1 ILE 22 8.222 -0.123 1.030 156 HD13 ILE 22 2HD1 ILE 22 7.270 -0.897 -0.242 157 H SER 23 H SER 23 13.218 0.059 -1.886 158 HA SER 23 HA SER 23 15.095 -1.102 -2.348 159 HB2 SER 23 2HB SER 23 15.048 -3.555 -1.874 160 HB3 SER 23 1HB SER 23 14.228 -2.593 -0.649 161 HG SER 23 HG SER 23 12.374 -3.201 -2.344 162 H GLY 24 H GLY 24 13.531 -0.327 -4.692 163 HA2 GLY 24 2HA GLY 24 14.065 -0.497 -6.922 164 HA3 GLY 24 1HA GLY 24 14.985 -1.956 -6.576 165 H ARG 25 H ARG 25 11.815 -1.825 -5.327 166 HA ARG 25 HA ARG 25 10.783 -3.450 -7.521 167 HB2 ARG 25 2HB ARG 25 11.530 -4.736 -5.503 168 HB3 ARG 25 1HB ARG 25 10.399 -3.798 -4.549 169 HG2 ARG 25 2HG ARG 25 8.567 -4.701 -5.873 170 HG3 ARG 25 1HG ARG 25 9.781 -5.613 -6.792 171 HD2 ARG 25 2HD ARG 25 9.299 -5.871 -3.819 172 HD3 ARG 25 1HD ARG 25 8.712 -7.009 -5.027 173 HE ARG 25 HE ARG 25 11.198 -7.185 -5.581 174 HH11 ARG 25 1HH1 ARG 25 9.841 -6.798 -2.298 175 HH12 ARG 25 2HH1 ARG 25 11.042 -7.730 -1.550 176 HH21 ARG 25 1HH2 ARG 25 12.883 -8.458 -4.497 177 HH22 ARG 25 2HH2 ARG 25 12.830 -8.667 -2.820 178 H LEU 26 H LEU 26 8.673 -2.750 -8.140 179 HA LEU 26 HA LEU 26 7.783 -0.326 -6.800 180 HB2 LEU 26 2HB LEU 26 7.943 -0.918 -9.446 181 HB3 LEU 26 1HB LEU 26 6.305 -1.441 -9.104 182 HG LEU 26 HG LEU 26 5.941 0.684 -9.833 183 HD11 LEU 26 1HD1 LEU 26 4.833 0.420 -7.822 184 HD12 LEU 26 2HD1 LEU 26 5.306 2.097 -8.164 185 HD13 LEU 26 3HD1 LEU 26 6.199 1.168 -6.954 186 HD21 LEU 26 3HD2 LEU 26 7.351 2.651 -9.238 187 HD22 LEU 26 1HD2 LEU 26 8.191 1.405 -10.169 188 HD23 LEU 26 2HD2 LEU 26 8.458 1.515 -8.449 189 H TYR 27 H TYR 27 6.279 -0.506 -5.283 190 HA TYR 27 HA TYR 27 4.432 -2.734 -5.291 191 HB2 TYR 27 2HB TYR 27 5.496 -0.842 -3.277 192 HB3 TYR 27 1HB TYR 27 4.053 -1.676 -2.825 193 HD1 TYR 27 1HD TYR 27 4.191 -4.246 -2.758 194 HD2 TYR 27 2HD TYR 27 7.642 -1.788 -3.153 195 HE1 TYR 27 1HE TYR 27 5.595 -6.120 -2.036 196 HE2 TYR 27 2HE TYR 27 9.064 -3.676 -2.408 197 HH TYR 27 HH TYR 27 7.783 -6.868 -2.151 198 H ARG 28 H ARG 28 2.519 -2.383 -6.097 199 HA ARG 28 HA ARG 28 1.433 0.338 -6.337 200 HB2 ARG 28 2HB ARG 28 0.731 -2.273 -7.642 201 HB3 ARG 28 1HB ARG 28 -0.239 -0.822 -7.826 202 HG2 ARG 28 2HG ARG 28 1.427 0.260 -8.988 203 HG3 ARG 28 1HG ARG 28 2.658 -0.883 -8.495 204 HD2 ARG 28 2HD ARG 28 1.340 -2.641 -9.769 205 HD3 ARG 28 1HD ARG 28 0.320 -1.393 -10.311 206 HE ARG 28 HE ARG 28 2.052 -0.391 -11.546 207 HH11 ARG 28 1HH1 ARG 28 3.077 -3.369 -10.030 208 HH12 ARG 28 2HH1 ARG 28 4.213 -3.794 -11.223 209 HH21 ARG 28 1HH2 ARG 28 3.678 -0.914 -13.202 210 HH22 ARG 28 2HH2 ARG 28 4.575 -2.346 -13.031 211 H LEU 29 H LEU 29 -0.439 0.840 -5.397 212 HA LEU 29 HA LEU 29 -1.431 -1.074 -3.433 213 HB2 LEU 29 2HB LEU 29 -1.804 1.901 -3.577 214 HB3 LEU 29 1HB LEU 29 -2.240 0.843 -2.249 215 HG LEU 29 HG LEU 29 0.559 1.448 -3.177 216 HD11 LEU 29 1HD1 LEU 29 0.786 2.502 -0.997 217 HD12 LEU 29 2HD1 LEU 29 -0.930 2.238 -0.698 218 HD13 LEU 29 3HD1 LEU 29 -0.414 3.301 -2.015 219 HD21 LEU 29 3HD2 LEU 29 0.386 -0.829 -2.361 220 HD22 LEU 29 1HD2 LEU 29 -0.400 -0.224 -0.883 221 HD23 LEU 29 2HD2 LEU 29 1.279 0.218 -1.256 222 H CYS 30 H CYS 30 -3.277 -1.965 -3.826 223 HA CYS 30 HA CYS 30 -5.334 -0.394 -5.080 224 HB2 CYS 30 2HB CYS 30 -6.171 -2.538 -6.238 225 HB3 CYS 30 1HB CYS 30 -4.684 -1.825 -6.876 226 H CYS 31 H CYS 31 -7.445 -0.862 -4.320 227 HA CYS 31 HA CYS 31 -7.384 -2.427 -1.848 228 HB2 CYS 31 2HB CYS 31 -6.657 0.018 -1.534 229 HB3 CYS 31 1HB CYS 31 -8.314 0.414 -1.922 230 H ARG 32 H ARG 32 -9.540 -2.685 -0.940 231 HA ARG 32 HA ARG 32 -11.649 -2.461 -2.992 232 HB2 ARG 32 2HB ARG 32 -12.745 -4.385 -1.988 233 HB3 ARG 32 1HB ARG 32 -11.072 -4.795 -2.331 234 HG2 ARG 32 2HG ARG 32 -10.510 -4.437 0.010 235 HG3 ARG 32 1HG ARG 32 -12.198 -4.063 0.357 236 HD2 ARG 32 2HD ARG 32 -12.804 -6.345 -0.513 237 HD3 ARG 32 1HD ARG 32 -11.060 -6.641 -0.646 238 HE ARG 32 HE ARG 32 -11.272 -5.981 1.917 239 HH11 ARG 32 1HH1 ARG 32 -13.257 -8.249 0.031 240 HH12 ARG 32 2HH1 ARG 32 -13.485 -9.315 1.321 241 HH21 ARG 32 1HH2 ARG 32 -11.565 -7.435 3.654 242 HH22 ARG 32 2HH2 ARG 32 -12.507 -8.843 3.446 243 H1 ALA 101 H ALA 101 -9.127 6.572 -6.119 244 HA ALA 101 HA ALA 101 -9.828 6.021 -3.548 245 HB1 ALA 101 1HB ALA 101 -10.067 3.673 -4.231 246 HB2 ALA 101 2HB ALA 101 -8.667 3.860 -3.176 247 HB3 ALA 101 3HB ALA 101 -8.444 3.699 -4.910 248 H THR 102 H THR 102 -7.960 6.320 -2.191 249 HA THR 102 HA THR 102 -5.403 6.612 -3.509 250 HB THR 102 HB THR 102 -6.540 8.790 -1.731 251 HG1 THR 102 1HG THR 102 -7.004 8.354 -4.230 252 HG21 THR 102 3HG2 THR 102 -4.492 10.005 -2.340 253 HG22 THR 102 1HG2 THR 102 -3.943 8.619 -3.288 254 HG23 THR 102 2HG2 THR 102 -4.097 8.486 -1.535 255 H CYS 103 H CYS 103 -4.174 5.287 -2.512 256 HA CYS 103 HA CYS 103 -4.396 5.001 0.400 257 HB2 CYS 103 2HB CYS 103 -3.575 2.841 -1.564 258 HB3 CYS 103 1HB CYS 103 -3.947 2.649 0.135 259 H TYR 104 H TYR 104 -2.189 4.544 1.352 260 HA TYR 104 HA TYR 104 -0.018 4.762 -0.444 261 HB2 TYR 104 2HB TYR 104 1.029 6.781 0.646 262 HB3 TYR 104 1HB TYR 104 -0.368 7.093 -0.358 263 HD1 TYR 104 2HD TYR 104 -2.490 7.807 0.661 264 HD2 TYR 104 1HD TYR 104 1.019 7.239 2.991 265 HE1 TYR 104 2HE TYR 104 -3.496 9.124 2.477 266 HE2 TYR 104 1HE TYR 104 0.034 8.557 4.804 267 HH TYR 104 HH TYR 104 -3.271 9.408 4.867 268 H CYS 105 H CYS 105 1.941 4.220 0.263 269 HA CYS 105 HA CYS 105 1.920 2.325 2.403 270 HB2 CYS 105 2HB CYS 105 4.276 3.223 0.694 271 HB3 CYS 105 1HB CYS 105 4.073 1.721 1.597 272 H ARG 106 H ARG 106 2.037 3.131 4.437 273 HA ARG 106 HA ARG 106 4.096 5.120 4.932 274 HB2 ARG 106 2HB ARG 106 2.688 5.926 6.880 275 HB3 ARG 106 1HB ARG 106 2.177 6.412 5.291 276 HG2 ARG 106 2HG ARG 106 0.131 5.751 6.098 277 HG3 ARG 106 1HG ARG 106 0.763 4.211 5.557 278 HD2 ARG 106 2HD ARG 106 1.508 3.669 7.810 279 HD3 ARG 106 1HD ARG 106 0.936 5.224 8.383 280 HE ARG 106 HE ARG 106 -1.083 3.712 7.047 281 HH11 ARG 106 1HH1 ARG 106 0.380 4.191 10.297 282 HH12 ARG 106 2HH1 ARG 106 -1.071 3.741 11.081 283 HH21 ARG 106 1HH2 ARG 106 -3.030 3.033 8.364 284 HH22 ARG 106 2HH2 ARG 106 -2.853 3.141 10.077 285 H THR 107 H THR 107 5.432 4.914 6.423 286 HA THR 107 HA THR 107 5.955 2.284 7.365 287 HB THR 107 HB THR 107 7.975 3.417 8.326 288 HG1 THR 107 1HG THR 107 8.217 5.567 7.947 289 HG21 THR 107 3HG2 THR 107 8.938 3.887 6.123 290 HG22 THR 107 1HG2 THR 107 7.319 3.948 5.424 291 HG23 THR 107 2HG2 THR 107 7.944 2.433 6.076 292 H GLY 108 H GLY 108 4.248 4.913 8.702 293 HA2 GLY 108 2HA GLY 108 4.416 3.653 11.312 294 HA3 GLY 108 1HA GLY 108 4.882 5.349 11.189 295 H ARG 109 H ARG 109 3.375 6.851 10.710 296 HA ARG 109 HA ARG 109 0.680 5.832 11.021 297 HB2 ARG 109 2HB ARG 109 0.143 7.937 12.210 298 HB3 ARG 109 1HB ARG 109 1.437 7.056 13.010 299 HG2 ARG 109 2HG ARG 109 3.069 8.514 11.904 300 HG3 ARG 109 1HG ARG 109 1.741 9.433 11.197 301 HD2 ARG 109 2HD ARG 109 2.563 10.593 13.143 302 HD3 ARG 109 1HD ARG 109 0.958 9.957 13.492 303 HE ARG 109 HE ARG 109 2.658 8.023 14.374 304 HH11 ARG 109 1HH1 ARG 109 2.301 11.482 15.066 305 HH12 ARG 109 2HH1 ARG 109 2.912 11.362 16.648 306 HH21 ARG 109 1HH2 ARG 109 3.489 7.871 16.567 307 HH22 ARG 109 2HH2 ARG 109 3.603 9.282 17.509 308 H CYS 110 H CYS 110 -0.875 7.795 10.196 309 HA CYS 110 HA CYS 110 0.346 9.387 8.146 310 HB2 CYS 110 2HB CYS 110 -1.370 8.737 6.431 311 HB3 CYS 110 1HB CYS 110 -0.234 7.462 6.764 312 H ALA 111 H ALA 111 -1.288 10.969 7.180 313 HA ALA 111 HA ALA 111 -2.717 12.119 9.370 314 HB1 ALA 111 1HB ALA 111 -1.525 13.537 7.745 315 HB2 ALA 111 2HB ALA 111 -3.232 13.963 7.860 316 HB3 ALA 111 3HB ALA 111 -2.650 13.023 6.487 317 H THR 112 H THR 112 -4.164 10.657 9.866 318 HA THR 112 HA THR 112 -6.753 10.791 9.437 319 HB THR 112 HB THR 112 -6.463 10.132 6.980 320 HG1 THR 112 1HG THR 112 -8.335 9.551 8.260 321 HG21 THR 112 3HG2 THR 112 -5.876 7.805 6.405 322 HG22 THR 112 1HG2 THR 112 -5.541 7.474 8.107 323 HG23 THR 112 2HG2 THR 112 -4.534 8.616 7.213 324 H ARG 113 H ARG 113 -3.920 9.051 9.885 325 HA ARG 113 HA ARG 113 -3.106 7.719 11.272 326 HB2 ARG 113 2HB ARG 113 -5.487 8.330 12.981 327 HB3 ARG 113 1HB ARG 113 -4.174 7.294 13.512 328 HG2 ARG 113 2HG ARG 113 -3.877 10.152 12.631 329 HG3 ARG 113 1HG ARG 113 -3.959 9.596 14.304 330 HD2 ARG 113 2HD ARG 113 -1.809 8.814 12.300 331 HD3 ARG 113 1HD ARG 113 -1.623 9.982 13.607 332 HE ARG 113 HE ARG 113 -2.099 7.110 13.906 333 HH11 ARG 113 1HH1 ARG 113 -0.843 10.157 15.257 334 HH12 ARG 113 2HH1 ARG 113 0.024 9.370 16.492 335 HH21 ARG 113 1HH2 ARG 113 -0.861 6.090 15.617 336 HH22 ARG 113 2HH2 ARG 113 0.031 7.048 16.703 337 H GLU 114 H GLU 114 -5.947 6.266 12.553 338 HA GLU 114 HA GLU 114 -4.829 4.008 11.253 339 HB2 GLU 114 2HB GLU 114 -6.378 4.089 13.790 340 HB3 GLU 114 1HB GLU 114 -6.060 2.587 12.928 341 HG2 GLU 114 2HG GLU 114 -3.959 4.521 13.870 342 HG3 GLU 114 1HG GLU 114 -4.375 2.993 14.656 343 H SER 115 H SER 115 -5.502 4.341 9.487 344 HA SER 115 HA SER 115 -8.101 3.134 8.882 345 HB2 SER 115 2HB SER 115 -7.869 5.532 8.137 346 HB3 SER 115 1HB SER 115 -6.427 5.080 7.231 347 HG SER 115 HG SER 115 -8.443 5.182 6.022 348 H LEU 116 H LEU 116 -5.945 1.728 9.729 349 HA LEU 116 HA LEU 116 -4.127 1.066 7.599 350 HB2 LEU 116 2HB LEU 116 -3.546 1.144 10.097 351 HB3 LEU 116 1HB LEU 116 -4.519 -0.281 10.298 352 HG LEU 116 HG LEU 116 -1.905 -0.129 8.756 353 HD11 LEU 116 1HD1 LEU 116 -1.628 0.100 11.134 354 HD12 LEU 116 2HD1 LEU 116 -1.062 -1.482 10.587 355 HD13 LEU 116 3HD1 LEU 116 -2.613 -1.337 11.406 356 HD21 LEU 116 3HD2 LEU 116 -3.656 -2.502 9.429 357 HD22 LEU 116 1HD2 LEU 116 -2.058 -2.564 8.687 358 HD23 LEU 116 2HD2 LEU 116 -3.405 -1.836 7.817 359 H SER 117 H SER 117 -4.594 -0.204 6.135 360 HA SER 117 HA SER 117 -6.885 -2.052 6.361 361 HB2 SER 117 2HB SER 117 -7.102 -1.533 3.930 362 HB3 SER 117 1HB SER 117 -7.406 -0.186 5.034 363 HG SER 117 HG SER 117 -6.021 0.240 3.196 364 H GLY 118 H GLY 118 -3.555 -1.877 5.906 365 HA2 GLY 118 2HA GLY 118 -3.303 -4.611 5.421 366 HA3 GLY 118 1HA GLY 118 -3.033 -3.712 3.928 367 H VAL 119 H VAL 119 -1.029 -5.180 5.101 368 HA VAL 119 HA VAL 119 0.832 -3.031 5.649 369 HB VAL 119 HB VAL 119 2.079 -4.521 7.225 370 HG11 VAL 119 1HG1 VAL 119 -0.645 -3.649 8.147 371 HG12 VAL 119 2HG1 VAL 119 0.820 -2.637 8.099 372 HG13 VAL 119 3HG1 VAL 119 0.721 -3.989 9.213 373 HG21 VAL 119 3HG2 VAL 119 -0.513 -6.026 7.317 374 HG22 VAL 119 1HG2 VAL 119 0.841 -6.268 8.420 375 HG23 VAL 119 2HG2 VAL 119 1.029 -6.628 6.698 376 H CYS 120 H CYS 120 2.869 -3.446 5.035 377 HA CYS 120 HA CYS 120 3.462 -5.994 3.874 378 HB2 CYS 120 2HB CYS 120 4.556 -4.790 1.877 379 HB3 CYS 120 1HB CYS 120 2.801 -5.021 1.791 380 H GLU 121 H GLU 121 5.172 -6.628 4.785 381 HA GLU 121 HA GLU 121 6.999 -4.586 5.713 382 HB2 GLU 121 2HB GLU 121 6.162 -6.051 7.433 383 HB3 GLU 121 1HB GLU 121 6.679 -7.463 6.577 384 HG2 GLU 121 2HG GLU 121 8.668 -5.387 7.429 385 HG3 GLU 121 1HG GLU 121 8.097 -6.580 8.573 386 H ILE 122 H ILE 122 8.759 -4.293 4.825 387 HA ILE 122 HA ILE 122 9.654 -6.227 2.813 388 HB ILE 122 HB ILE 122 9.649 -3.223 2.297 389 HG12 ILE 122 2HG1 ILE 122 7.547 -5.245 1.380 390 HG13 ILE 122 1HG1 ILE 122 7.309 -4.046 2.644 391 HG21 ILE 122 1HG2 ILE 122 11.240 -4.555 1.050 392 HG22 ILE 122 2HG2 ILE 122 9.966 -3.906 0.015 393 HG23 ILE 122 3HG2 ILE 122 9.937 -5.603 0.490 394 HD11 ILE 122 3HD1 ILE 122 8.022 -3.475 -0.155 395 HD12 ILE 122 1HD1 ILE 122 7.662 -2.313 1.118 396 HD13 ILE 122 2HD1 ILE 122 6.382 -3.405 0.535 397 H SER 123 H SER 123 11.605 -6.694 3.170 398 HA SER 123 HA SER 123 13.698 -6.851 4.027 399 HB2 SER 123 2HB SER 123 15.188 -4.877 3.523 400 HB3 SER 123 1HB SER 123 14.228 -5.448 2.165 401 HG SER 123 HG SER 123 12.824 -3.617 3.461 402 H GLY 124 H GLY 124 11.704 -6.198 6.079 403 HA2 GLY 124 2HA GLY 124 12.236 -6.318 8.364 404 HA3 GLY 124 1HA GLY 124 13.636 -5.299 8.081 405 H ARG 125 H ARG 125 11.444 -3.772 6.334 406 HA ARG 125 HA ARG 125 10.793 -1.979 8.559 407 HB2 ARG 125 2HB ARG 125 12.216 -1.261 6.585 408 HB3 ARG 125 1HB ARG 125 10.774 -1.433 5.603 409 HG2 ARG 125 2HG ARG 125 9.656 0.269 6.925 410 HG3 ARG 125 1HG ARG 125 11.108 0.396 7.938 411 HD2 ARG 125 2HD ARG 125 12.401 0.968 5.900 412 HD3 ARG 125 1HD ARG 125 10.889 1.008 4.998 413 HE ARG 125 HE ARG 125 10.994 2.682 7.321 414 HH11 ARG 125 1HH1 ARG 125 11.306 2.500 3.801 415 HH12 ARG 125 2HH1 ARG 125 11.500 4.179 3.580 416 HH21 ARG 125 1HH2 ARG 125 11.227 5.001 7.019 417 HH22 ARG 125 2HH2 ARG 125 11.448 5.632 5.459 418 H LEU 126 H LEU 126 8.594 -1.513 8.964 419 HA LEU 126 HA LEU 126 6.740 -3.216 7.506 420 HB2 LEU 126 2HB LEU 126 6.945 -2.709 10.172 421 HB3 LEU 126 1HB LEU 126 5.796 -1.476 9.692 422 HG LEU 126 HG LEU 126 4.410 -3.164 10.354 423 HD11 LEU 126 1HD1 LEU 126 4.595 -3.674 7.478 424 HD12 LEU 126 2HD1 LEU 126 3.706 -2.383 8.321 425 HD13 LEU 126 3HD1 LEU 126 3.286 -4.084 8.601 426 HD21 LEU 126 3HD2 LEU 126 4.732 -5.563 9.778 427 HD22 LEU 126 1HD2 LEU 126 6.013 -4.885 10.791 428 HD23 LEU 126 2HD2 LEU 126 6.298 -5.107 9.084 429 H TYR 127 H TYR 127 5.594 -2.359 5.916 430 HA TYR 127 HA TYR 127 5.073 0.496 5.875 431 HB2 TYR 127 2HB TYR 127 5.178 -1.662 3.825 432 HB3 TYR 127 1HB TYR 127 4.511 -0.148 3.334 433 HD1 TYR 127 1HD TYR 127 6.095 1.918 3.573 434 HD2 TYR 127 2HD TYR 127 7.451 -2.107 3.831 435 HE1 TYR 127 1HE TYR 127 8.391 2.664 3.100 436 HE2 TYR 127 2HE TYR 127 9.751 -1.363 3.343 437 HH TYR 127 HH TYR 127 10.909 0.486 2.337 438 H ARG 128 H ARG 128 3.175 0.986 6.724 439 HA ARG 128 HA ARG 128 0.935 -0.890 6.764 440 HB2 ARG 128 2HB ARG 128 1.413 1.813 7.928 441 HB3 ARG 128 1HB ARG 128 -0.173 1.066 7.967 442 HG2 ARG 128 2HG ARG 128 0.632 -0.639 9.370 443 HG3 ARG 128 1HG ARG 128 2.299 -0.116 9.174 444 HD2 ARG 128 2HD ARG 128 1.666 2.084 10.179 445 HD3 ARG 128 1HD ARG 128 0.082 1.541 10.389 446 HE ARG 128 HE ARG 128 0.695 0.094 12.103 447 HH11 ARG 128 1HH1 ARG 128 3.516 1.669 10.730 448 HH12 ARG 128 2HH1 ARG 128 4.534 1.390 12.060 449 HH21 ARG 128 1HH2 ARG 128 1.989 -0.275 13.943 450 HH22 ARG 128 2HH2 ARG 128 3.618 0.245 14.012 451 H LEU 129 H LEU 129 -0.901 -0.519 5.622 452 HA LEU 129 HA LEU 129 -0.789 1.664 3.696 453 HB2 LEU 129 2HB LEU 129 -2.514 -0.801 3.704 454 HB3 LEU 129 1HB LEU 129 -2.396 0.385 2.425 455 HG LEU 129 HG LEU 129 -0.209 -1.486 3.305 456 HD11 LEU 129 1HD1 LEU 129 -1.905 -2.616 2.044 457 HD12 LEU 129 2HD1 LEU 129 -0.445 -2.401 1.054 458 HD13 LEU 129 3HD1 LEU 129 -1.845 -1.367 0.798 459 HD21 LEU 129 3HD2 LEU 129 0.767 0.595 2.637 460 HD22 LEU 129 1HD2 LEU 129 -0.220 0.604 1.153 461 HD23 LEU 129 2HD2 LEU 129 1.002 -0.645 1.398 462 H CYS 130 H CYS 130 -2.065 3.317 4.031 463 HA CYS 130 HA CYS 130 -4.617 2.808 5.313 464 HB2 CYS 130 2HB CYS 130 -4.475 5.204 6.305 465 HB3 CYS 130 1HB CYS 130 -3.319 4.055 6.972 466 H CYS 131 H CYS 131 -6.377 3.935 4.392 467 HA CYS 131 HA CYS 131 -5.696 5.220 1.870 468 HB2 CYS 131 2HB CYS 131 -5.893 2.733 1.550 469 HB3 CYS 131 1HB CYS 131 -7.558 2.873 2.080 470 H ARG 132 H ARG 132 -7.389 6.420 0.994 471 HA ARG 132 HA ARG 132 -9.474 7.012 2.946 472 HB2 ARG 132 2HB ARG 132 -9.643 9.238 1.873 473 HB3 ARG 132 1HB ARG 132 -8.005 8.926 2.413 474 HG2 ARG 132 2HG ARG 132 -7.416 8.320 0.077 475 HG3 ARG 132 1HG ARG 132 -9.053 8.767 -0.393 476 HD2 ARG 132 2HD ARG 132 -8.520 11.067 0.633 477 HD3 ARG 132 1HD ARG 132 -6.845 10.460 0.634 478 HE ARG 132 HE ARG 132 -8.182 10.245 -1.883 479 HH11 ARG 132 1HH1 ARG 132 -6.033 12.252 0.118 480 HH12 ARG 132 2HH1 ARG 132 -5.460 13.178 -1.170 481 HH21 ARG 132 1HH2 ARG 132 -7.404 11.504 -3.650 482 HH22 ARG 132 2HH2 ARG 132 -6.272 12.748 -3.399 Start of MODEL 5 1 H1 ALA 1 1HT ALA 1 -10.765 -0.532 5.916 2 H2 ALA 1 2HT ALA 1 -11.983 -1.567 5.380 3 H3 ALA 1 3HT ALA 1 -12.169 0.082 5.190 4 HA ALA 1 HA ALA 1 -11.593 -0.985 3.112 5 HB1 ALA 1 2HB ALA 1 -9.597 0.393 2.561 6 HB2 ALA 1 3HB ALA 1 -9.356 0.692 4.272 7 HB3 ALA 1 1HB ALA 1 -10.798 1.311 3.481 8 H THR 2 H THR 2 -10.320 -2.475 1.997 9 HA THR 2 HA THR 2 -8.284 -3.882 3.611 10 HB THR 2 HB THR 2 -10.036 -5.018 1.423 11 HG1 THR 2 1HG THR 2 -10.716 -4.496 3.886 12 HG21 THR 2 3HG2 THR 2 -8.125 -6.354 3.357 13 HG22 THR 2 1HG2 THR 2 -7.873 -6.145 1.621 14 HG23 THR 2 2HG2 THR 2 -9.163 -7.196 2.202 15 H CYS 3 H CYS 3 -6.351 -3.281 2.786 16 HA CYS 3 HA CYS 3 -6.124 -2.991 -0.136 17 HB2 CYS 3 2HB CYS 3 -4.543 -1.480 1.958 18 HB3 CYS 3 1HB CYS 3 -4.450 -1.271 0.222 19 H TYR 4 H TYR 4 -3.808 -3.395 -0.863 20 HA TYR 4 HA TYR 4 -2.111 -4.829 0.869 21 HB2 TYR 4 2HB TYR 4 -2.118 -6.951 -0.540 22 HB3 TYR 4 1HB TYR 4 -3.530 -6.718 0.474 23 HD1 TYR 4 2HD TYR 4 -5.682 -6.006 -0.578 24 HD2 TYR 4 1HD TYR 4 -2.302 -7.115 -2.908 25 HE1 TYR 4 2HE TYR 4 -7.142 -6.308 -2.501 26 HE2 TYR 4 1HE TYR 4 -3.755 -7.428 -4.864 27 HH TYR 4 HH TYR 4 -6.912 -6.263 -4.978 28 H CYS 5 H CYS 5 -0.063 -5.099 0.050 29 HA CYS 5 HA CYS 5 0.544 -3.171 -2.008 30 HB2 CYS 5 2HB CYS 5 2.484 -4.788 -0.302 31 HB3 CYS 5 1HB CYS 5 2.737 -3.260 -1.147 32 H ARG 6 H ARG 6 0.830 -3.853 -4.097 33 HA ARG 6 HA ARG 6 2.019 -6.458 -4.473 34 HB2 ARG 6 2HB ARG 6 0.551 -6.810 -6.530 35 HB3 ARG 6 1HB ARG 6 -0.164 -7.110 -4.969 36 HG2 ARG 6 2HG ARG 6 -1.821 -6.025 -6.141 37 HG3 ARG 6 1HG ARG 6 -1.060 -4.739 -5.208 38 HD2 ARG 6 2HD ARG 6 0.142 -3.975 -7.146 39 HD3 ARG 6 1HD ARG 6 -0.467 -5.313 -8.119 40 HE ARG 6 HE ARG 6 -2.549 -3.725 -6.951 41 HH11 ARG 6 1HH1 ARG 6 -0.476 -3.905 -9.840 42 HH12 ARG 6 2HH1 ARG 6 -1.536 -3.044 -10.833 43 HH21 ARG 6 1HH2 ARG 6 -4.033 -2.516 -8.432 44 HH22 ARG 6 2HH2 ARG 6 -3.527 -2.243 -10.042 45 H THR 7 H THR 7 3.350 -6.807 -6.013 46 HA THR 7 HA THR 7 4.753 -4.434 -6.876 47 HB THR 7 HB THR 7 6.492 -6.060 -7.624 48 HG1 THR 7 1HG THR 7 5.218 -7.851 -8.063 49 HG21 THR 7 3HG2 THR 7 5.451 -6.401 -4.814 50 HG22 THR 7 1HG2 THR 7 6.518 -5.115 -5.370 51 HG23 THR 7 2HG2 THR 7 7.084 -6.787 -5.351 52 H GLY 8 H GLY 8 2.444 -6.389 -8.208 53 HA2 GLY 8 2HA GLY 8 3.253 -5.571 -10.883 54 HA3 GLY 8 1HA GLY 8 2.721 -7.228 -10.569 55 H ARG 9 H ARG 9 0.746 -7.569 -11.016 56 HA ARG 9 HA ARG 9 -1.122 -5.326 -10.852 57 HB2 ARG 9 2HB ARG 9 -2.558 -6.642 -12.363 58 HB3 ARG 9 1HB ARG 9 -0.967 -6.354 -13.058 59 HG2 ARG 9 2HG ARG 9 -0.274 -8.577 -12.450 60 HG3 ARG 9 1HG ARG 9 -1.841 -8.890 -11.701 61 HD2 ARG 9 2HD ARG 9 -1.772 -9.895 -13.892 62 HD3 ARG 9 1HD ARG 9 -2.886 -8.526 -13.893 63 HE ARG 9 HE ARG 9 -0.277 -7.771 -14.741 64 HH11 ARG 9 1HH1 ARG 9 -3.287 -9.260 -15.839 65 HH12 ARG 9 2HH1 ARG 9 -3.013 -8.939 -17.486 66 HH21 ARG 9 1HH2 ARG 9 0.100 -7.332 -17.007 67 HH22 ARG 9 2HH2 ARG 9 -1.039 -7.848 -18.166 68 H CYS 10 H CYS 10 -3.503 -6.302 -10.369 69 HA CYS 10 HA CYS 10 -3.376 -8.587 -8.628 70 HB2 CYS 10 2HB CYS 10 -4.953 -7.452 -6.976 71 HB3 CYS 10 1HB CYS 10 -3.333 -6.822 -6.919 72 H ALA 11 H ALA 11 -5.636 -9.451 -8.199 73 HA ALA 11 HA ALA 11 -6.760 -9.711 -10.793 74 HB1 ALA 11 1HB ALA 11 -8.183 -11.417 -9.848 75 HB2 ALA 11 2HB ALA 11 -7.742 -10.921 -8.213 76 HB3 ALA 11 3HB ALA 11 -6.529 -11.637 -9.273 77 H THR 12 H THR 12 -7.396 -7.679 -11.169 78 HA THR 12 HA THR 12 -10.042 -7.098 -11.206 79 HB THR 12 HB THR 12 -10.002 -6.793 -8.735 80 HG1 THR 12 1HG THR 12 -11.064 -4.918 -8.695 81 HG21 THR 12 3HG2 THR 12 -8.721 -4.951 -7.701 82 HG22 THR 12 1HG2 THR 12 -7.958 -4.622 -9.254 83 HG23 THR 12 2HG2 THR 12 -7.657 -6.152 -8.428 84 H ARG 13 H ARG 13 -6.726 -6.027 -11.046 85 HA ARG 13 HA ARG 13 -5.455 -4.625 -12.210 86 HB2 ARG 13 2HB ARG 13 -7.754 -4.684 -14.157 87 HB3 ARG 13 1HB ARG 13 -6.275 -3.773 -14.441 88 HG2 ARG 13 2HG ARG 13 -6.353 -6.740 -13.962 89 HG3 ARG 13 1HG ARG 13 -6.363 -5.996 -15.563 90 HD2 ARG 13 2HD ARG 13 -4.177 -5.691 -13.475 91 HD3 ARG 13 1HD ARG 13 -4.090 -6.659 -14.943 92 HE ARG 13 HE ARG 13 -4.749 -3.979 -15.554 93 HH11 ARG 13 1HH1 ARG 13 -2.007 -6.014 -14.725 94 HH12 ARG 13 2HH1 ARG 13 -0.839 -4.973 -15.386 95 HH21 ARG 13 1HH2 ARG 13 -3.175 -2.543 -16.467 96 HH22 ARG 13 2HH2 ARG 13 -1.531 -2.937 -16.405 97 H GLU 14 H GLU 14 -8.594 -3.095 -12.868 98 HA GLU 14 HA GLU 14 -7.430 -0.551 -12.263 99 HB2 GLU 14 2HB GLU 14 -9.060 -0.762 -14.084 100 HB3 GLU 14 1HB GLU 14 -10.289 -1.264 -12.932 101 HG2 GLU 14 2HG GLU 14 -10.186 0.919 -11.865 102 HG3 GLU 14 1HG GLU 14 -8.924 1.416 -12.988 103 H SER 15 H SER 15 -6.851 -0.767 -10.248 104 HA SER 15 HA SER 15 -8.716 0.079 -8.266 105 HB2 SER 15 2HB SER 15 -9.129 -2.376 -8.239 106 HB3 SER 15 1HB SER 15 -7.412 -2.659 -7.989 107 HG SER 15 HG SER 15 -8.887 -1.057 -6.222 108 H LEU 16 H LEU 16 -5.997 0.541 -9.725 109 HA LEU 16 HA LEU 16 -4.102 0.356 -7.559 110 HB2 LEU 16 2HB LEU 16 -3.469 -0.054 -9.994 111 HB3 LEU 16 1HB LEU 16 -3.777 1.629 -10.309 112 HG LEU 16 HG LEU 16 -1.483 0.543 -8.604 113 HD11 LEU 16 1HD1 LEU 16 -1.554 1.739 -11.339 114 HD12 LEU 16 2HD1 LEU 16 -1.260 0.044 -10.930 115 HD13 LEU 16 3HD1 LEU 16 -0.121 1.287 -10.417 116 HD21 LEU 16 3HD2 LEU 16 -2.211 2.799 -7.860 117 HD22 LEU 16 1HD2 LEU 16 -2.088 3.363 -9.530 118 HD23 LEU 16 2HD2 LEU 16 -0.646 2.828 -8.678 119 H SER 17 H SER 17 -4.060 1.670 -6.117 120 HA SER 17 HA SER 17 -5.305 4.315 -6.442 121 HB2 SER 17 2HB SER 17 -5.888 3.976 -4.044 122 HB3 SER 17 1HB SER 17 -6.633 2.854 -5.197 123 HG SER 17 HG SER 17 -5.630 1.980 -3.214 124 H GLY 18 H GLY 18 -2.379 2.800 -5.912 125 HA2 GLY 18 2HA GLY 18 -1.091 5.188 -5.262 126 HA3 GLY 18 1HA GLY 18 -1.267 4.196 -3.816 127 H VAL 19 H VAL 19 1.177 4.876 -4.791 128 HA VAL 19 HA VAL 19 2.226 2.257 -5.371 129 HB VAL 19 HB VAL 19 3.935 3.256 -6.957 130 HG11 VAL 19 1HG1 VAL 19 2.203 1.810 -7.793 131 HG12 VAL 19 2HG1 VAL 19 2.493 3.114 -8.941 132 HG13 VAL 19 3HG1 VAL 19 1.075 3.164 -7.879 133 HG21 VAL 19 3HG2 VAL 19 3.282 5.272 -8.208 134 HG22 VAL 19 1HG2 VAL 19 3.566 5.605 -6.495 135 HG23 VAL 19 2HG2 VAL 19 1.914 5.482 -7.114 136 H CYS 20 H CYS 20 4.183 1.908 -4.616 137 HA CYS 20 HA CYS 20 5.754 4.058 -3.533 138 HB2 CYS 20 2HB CYS 20 6.152 2.583 -1.452 139 HB3 CYS 20 1HB CYS 20 4.679 3.565 -1.437 140 H GLU 21 H GLU 21 7.724 3.783 -4.283 141 HA GLU 21 HA GLU 21 8.436 1.073 -5.027 142 HB2 GLU 21 2HB GLU 21 8.638 2.762 -6.804 143 HB3 GLU 21 1HB GLU 21 9.700 3.706 -5.815 144 HG2 GLU 21 2HG GLU 21 10.473 0.905 -6.548 145 HG3 GLU 21 1HG GLU 21 10.705 2.185 -7.715 146 H ILE 22 H ILE 22 9.753 -0.022 -3.977 147 HA ILE 22 HA ILE 22 11.234 1.256 -1.789 148 HB ILE 22 HB ILE 22 9.677 -1.345 -1.477 149 HG12 ILE 22 2HG1 ILE 22 8.853 1.430 -0.511 150 HG13 ILE 22 1HG1 ILE 22 8.175 0.617 -1.913 151 HG21 ILE 22 1HG2 ILE 22 11.600 -1.083 -0.027 152 HG22 ILE 22 2HG2 ILE 22 10.085 -0.992 0.869 153 HG23 ILE 22 3HG2 ILE 22 10.985 0.481 0.511 154 HD11 ILE 22 3HD1 ILE 22 7.411 -1.156 -0.530 155 HD12 ILE 22 1HD1 ILE 22 6.794 0.409 0.035 156 HD13 ILE 22 2HD1 ILE 22 8.156 -0.371 0.867 157 H SER 23 H SER 23 13.202 0.715 -1.960 158 HA SER 23 HA SER 23 15.191 -0.203 -2.590 159 HB2 SER 23 2HB SER 23 15.433 -2.681 -2.047 160 HB3 SER 23 1HB SER 23 14.803 -1.684 -0.746 161 HG SER 23 HG SER 23 12.757 -2.548 -2.188 162 H GLY 24 H GLY 24 13.413 0.263 -4.826 163 HA2 GLY 24 2HA GLY 24 14.047 0.115 -7.069 164 HA3 GLY 24 1HA GLY 24 14.817 -1.433 -6.748 165 H ARG 25 H ARG 25 12.106 -1.784 -5.178 166 HA ARG 25 HA ARG 25 10.849 -3.206 -7.401 167 HB2 ARG 25 2HB ARG 25 11.774 -4.355 -5.340 168 HB3 ARG 25 1HB ARG 25 10.552 -3.518 -4.419 169 HG2 ARG 25 2HG ARG 25 8.810 -4.720 -5.590 170 HG3 ARG 25 1HG ARG 25 10.042 -5.492 -6.610 171 HD2 ARG 25 2HD ARG 25 11.105 -6.424 -4.592 172 HD3 ARG 25 1HD ARG 25 9.822 -5.720 -3.616 173 HE ARG 25 HE ARG 25 8.715 -7.382 -5.590 174 HH11 ARG 25 1HH1 ARG 25 10.580 -7.570 -2.617 175 HH12 ARG 25 2HH1 ARG 25 10.028 -9.113 -2.158 176 HH21 ARG 25 1HH2 ARG 25 7.890 -9.534 -4.971 177 HH22 ARG 25 2HH2 ARG 25 8.455 -10.248 -3.545 178 H LEU 26 H LEU 26 8.712 -2.571 -7.977 179 HA LEU 26 HA LEU 26 7.765 -0.155 -6.648 180 HB2 LEU 26 2HB LEU 26 7.878 -0.821 -9.286 181 HB3 LEU 26 1HB LEU 26 6.242 -1.318 -8.889 182 HG LEU 26 HG LEU 26 5.912 0.783 -9.695 183 HD11 LEU 26 1HD1 LEU 26 4.767 0.614 -7.680 184 HD12 LEU 26 2HD1 LEU 26 5.299 2.271 -8.004 185 HD13 LEU 26 3HD1 LEU 26 6.145 1.306 -6.800 186 HD21 LEU 26 3HD2 LEU 26 7.337 2.763 -9.135 187 HD22 LEU 26 1HD2 LEU 26 8.166 1.483 -10.033 188 HD23 LEU 26 2HD2 LEU 26 8.427 1.629 -8.316 189 H TYR 27 H TYR 27 6.192 -0.289 -5.186 190 HA TYR 27 HA TYR 27 4.475 -2.617 -5.161 191 HB2 TYR 27 2HB TYR 27 5.454 -0.729 -3.098 192 HB3 TYR 27 1HB TYR 27 4.019 -1.626 -2.713 193 HD1 TYR 27 1HD TYR 27 4.198 -4.153 -2.686 194 HD2 TYR 27 2HD TYR 27 7.622 -1.649 -2.998 195 HE1 TYR 27 1HE TYR 27 5.620 -6.027 -2.007 196 HE2 TYR 27 2HE TYR 27 9.061 -3.539 -2.300 197 HH TYR 27 HH TYR 27 8.944 -5.635 -1.207 198 H ARG 28 H ARG 28 2.678 -2.308 -6.146 199 HA ARG 28 HA ARG 28 1.370 0.296 -6.262 200 HB2 ARG 28 2HB ARG 28 0.918 -2.349 -7.562 201 HB3 ARG 28 1HB ARG 28 -0.276 -1.057 -7.665 202 HG2 ARG 28 2HG ARG 28 1.169 0.254 -8.899 203 HG3 ARG 28 1HG ARG 28 2.563 -0.749 -8.528 204 HD2 ARG 28 2HD ARG 28 1.455 -2.618 -9.740 205 HD3 ARG 28 1HD ARG 28 0.144 -1.611 -10.105 206 HE ARG 28 HE ARG 28 1.456 -0.290 -11.529 207 HH11 ARG 28 1HH1 ARG 28 3.259 -3.028 -10.219 208 HH12 ARG 28 2HH1 ARG 28 4.396 -3.081 -11.471 209 HH21 ARG 28 1HH2 ARG 28 2.961 -0.340 -13.249 210 HH22 ARG 28 2HH2 ARG 28 4.209 -1.504 -13.279 211 H LEU 29 H LEU 29 -0.551 0.613 -5.361 212 HA LEU 29 HA LEU 29 -1.372 -1.385 -3.403 213 HB2 LEU 29 2HB LEU 29 -2.009 1.555 -3.500 214 HB3 LEU 29 1HB LEU 29 -2.351 0.443 -2.191 215 HG LEU 29 HG LEU 29 0.382 1.369 -3.066 216 HD11 LEU 29 1HD1 LEU 29 -0.807 3.075 -1.866 217 HD12 LEU 29 2HD1 LEU 29 0.467 2.375 -0.846 218 HD13 LEU 29 3HD1 LEU 29 -1.210 1.923 -0.592 219 HD21 LEU 29 3HD2 LEU 29 1.197 0.213 -1.127 220 HD22 LEU 29 1HD2 LEU 29 0.499 -0.926 -2.293 221 HD23 LEU 29 2HD2 LEU 29 -0.409 -0.449 -0.829 222 H CYS 30 H CYS 30 -3.218 -2.382 -3.809 223 HA CYS 30 HA CYS 30 -5.271 -0.837 -5.070 224 HB2 CYS 30 2HB CYS 30 -6.148 -3.032 -6.167 225 HB3 CYS 30 1HB CYS 30 -4.726 -2.279 -6.884 226 H CYS 31 H CYS 31 -7.383 -1.248 -4.341 227 HA CYS 31 HA CYS 31 -7.364 -2.646 -1.790 228 HB2 CYS 31 2HB CYS 31 -6.395 -0.327 -1.558 229 HB3 CYS 31 1HB CYS 31 -7.962 0.276 -2.040 230 H ARG 32 H ARG 32 -9.413 -2.913 -0.943 231 HA ARG 32 HA ARG 32 -11.688 -2.188 -2.666 232 HB2 ARG 32 2HB ARG 32 -12.777 -4.305 -1.997 233 HB3 ARG 32 1HB ARG 32 -11.282 -4.597 -2.875 234 HG2 ARG 32 2HG ARG 32 -10.123 -5.073 -0.802 235 HG3 ARG 32 1HG ARG 32 -11.576 -4.673 0.113 236 HD2 ARG 32 2HD ARG 32 -11.286 -6.957 -1.844 237 HD3 ARG 32 1HD ARG 32 -11.256 -7.068 -0.080 238 HE ARG 32 HE ARG 32 -13.627 -5.855 -1.204 239 HH11 ARG 32 1HH1 ARG 32 -12.187 -8.887 -0.059 240 HH12 ARG 32 2HH1 ARG 32 -13.664 -9.663 0.196 241 HH21 ARG 32 1HH2 ARG 32 -15.691 -6.930 -0.810 242 HH22 ARG 32 2HH2 ARG 32 -15.690 -8.531 -0.233 243 H1 ALA 101 H ALA 101 -9.031 5.813 -6.144 244 HA ALA 101 HA ALA 101 -9.880 5.699 -3.524 245 HB1 ALA 101 1HB ALA 101 -8.427 3.239 -4.536 246 HB2 ALA 101 2HB ALA 101 -10.069 3.269 -3.905 247 HB3 ALA 101 3HB ALA 101 -8.705 3.621 -2.842 248 H THR 102 H THR 102 -8.134 6.360 -2.176 249 HA THR 102 HA THR 102 -5.596 6.763 -3.606 250 HB THR 102 HB THR 102 -6.828 8.571 -1.508 251 HG1 THR 102 1HG THR 102 -6.535 8.866 -4.311 252 HG21 THR 102 3HG2 THR 102 -4.344 8.899 -3.212 253 HG22 THR 102 1HG2 THR 102 -4.373 8.580 -1.478 254 HG23 THR 102 2HG2 THR 102 -4.985 10.110 -2.101 255 H CYS 103 H CYS 103 -4.208 5.362 -2.726 256 HA CYS 103 HA CYS 103 -4.318 4.966 0.187 257 HB2 CYS 103 2HB CYS 103 -3.436 2.913 -1.868 258 HB3 CYS 103 1HB CYS 103 -3.575 2.675 -0.143 259 H TYR 104 H TYR 104 -2.151 4.573 1.106 260 HA TYR 104 HA TYR 104 0.084 4.959 -0.603 261 HB2 TYR 104 2HB TYR 104 0.982 6.929 0.668 262 HB3 TYR 104 1HB TYR 104 -0.416 7.290 -0.325 263 HD1 TYR 104 1HD TYR 104 0.854 6.942 3.078 264 HD2 TYR 104 2HD TYR 104 -2.513 7.953 0.694 265 HE1 TYR 104 1HE TYR 104 -0.190 7.947 5.016 266 HE2 TYR 104 2HE TYR 104 -3.602 8.976 2.632 267 HH TYR 104 HH TYR 104 -3.497 8.898 5.072 268 H CYS 105 H CYS 105 2.092 4.582 0.418 269 HA CYS 105 HA CYS 105 1.755 2.521 2.425 270 HB2 CYS 105 2HB CYS 105 4.235 3.191 0.806 271 HB3 CYS 105 1HB CYS 105 3.828 1.709 1.669 272 H ARG 106 H ARG 106 1.993 3.305 4.502 273 HA ARG 106 HA ARG 106 4.063 5.322 4.987 274 HB2 ARG 106 2HB ARG 106 3.111 5.453 7.333 275 HB3 ARG 106 1HB ARG 106 2.111 6.090 6.042 276 HG2 ARG 106 2HG ARG 106 0.511 4.568 6.346 277 HG3 ARG 106 1HG ARG 106 1.647 3.277 6.769 278 HD2 ARG 106 2HD ARG 106 1.809 4.065 9.008 279 HD3 ARG 106 1HD ARG 106 1.082 5.612 8.588 280 HE ARG 106 HE ARG 106 -0.844 3.880 8.008 281 HH11 ARG 106 1HH1 ARG 106 1.059 3.996 11.042 282 HH12 ARG 106 2HH1 ARG 106 -0.297 3.833 12.028 283 HH21 ARG 106 1HH2 ARG 106 -2.694 3.687 9.461 284 HH22 ARG 106 2HH2 ARG 106 -2.441 3.681 11.139 285 H THR 107 H THR 107 5.624 5.111 6.566 286 HA THR 107 HA THR 107 6.509 2.363 6.914 287 HB THR 107 HB THR 107 8.659 3.516 7.519 288 HG1 THR 107 1HG THR 107 8.454 5.840 6.582 289 HG21 THR 107 3HG2 THR 107 8.179 2.712 5.248 290 HG22 THR 107 1HG2 THR 107 9.141 4.193 5.207 291 HG23 THR 107 2HG2 THR 107 7.410 4.252 4.873 292 H GLY 108 H GLY 108 4.640 4.332 8.609 293 HA2 GLY 108 2HA GLY 108 5.079 3.045 11.073 294 HA3 GLY 108 1HA GLY 108 5.721 4.686 11.111 295 H ARG 109 H ARG 109 4.236 6.405 10.398 296 HA ARG 109 HA ARG 109 1.501 5.651 10.950 297 HB2 ARG 109 2HB ARG 109 1.236 7.730 12.280 298 HB3 ARG 109 1HB ARG 109 2.260 6.513 13.023 299 HG2 ARG 109 2HG ARG 109 4.229 7.741 12.261 300 HG3 ARG 109 1HG ARG 109 3.187 8.982 11.566 301 HD2 ARG 109 2HD ARG 109 3.972 9.682 13.763 302 HD3 ARG 109 1HD ARG 109 2.232 9.396 13.795 303 HE ARG 109 HE ARG 109 3.888 7.163 14.560 304 HH11 ARG 109 1HH1 ARG 109 2.015 9.950 15.677 305 HH12 ARG 109 2HH1 ARG 109 1.825 9.375 17.259 306 HH21 ARG 109 1HH2 ARG 109 3.647 6.366 16.771 307 HH22 ARG 109 2HH2 ARG 109 2.784 7.317 17.889 308 H CYS 110 H CYS 110 -0.091 7.452 10.312 309 HA CYS 110 HA CYS 110 0.918 9.070 8.135 310 HB2 CYS 110 2HB CYS 110 -1.019 8.396 6.727 311 HB3 CYS 110 1HB CYS 110 0.088 7.051 7.019 312 H ALA 111 H ALA 111 -0.439 10.880 7.679 313 HA ALA 111 HA ALA 111 -1.688 11.888 10.031 314 HB1 ALA 111 1HB ALA 111 -2.019 13.953 8.769 315 HB2 ALA 111 2HB ALA 111 -1.575 13.121 7.280 316 HB3 ALA 111 3HB ALA 111 -0.374 13.350 8.552 317 H THR 112 H THR 112 -3.304 10.533 10.403 318 HA THR 112 HA THR 112 -5.851 11.114 9.922 319 HB THR 112 HB THR 112 -5.646 10.553 7.508 320 HG1 THR 112 1HG THR 112 -7.548 9.806 8.858 321 HG21 THR 112 3HG2 THR 112 -3.773 8.992 7.596 322 HG22 THR 112 1HG2 THR 112 -5.140 8.267 6.748 323 HG23 THR 112 2HG2 THR 112 -4.784 7.803 8.414 324 H ARG 113 H ARG 113 -3.383 8.718 10.359 325 HA ARG 113 HA ARG 113 -2.991 7.088 11.772 326 HB2 ARG 113 2HB ARG 113 -5.008 8.564 13.420 327 HB3 ARG 113 1HB ARG 113 -4.154 7.138 14.008 328 HG2 ARG 113 2HG ARG 113 -2.718 9.545 12.955 329 HG3 ARG 113 1HG ARG 113 -3.168 9.391 14.662 330 HD2 ARG 113 2HD ARG 113 -1.417 7.480 13.082 331 HD3 ARG 113 1HD ARG 113 -0.864 8.669 14.258 332 HE ARG 113 HE ARG 113 -2.711 7.212 15.600 333 HH11 ARG 113 1HH1 ARG 113 0.327 6.415 13.965 334 HH12 ARG 113 2HH1 ARG 113 0.633 5.063 14.966 335 HH21 ARG 113 1HH2 ARG 113 -2.226 5.365 16.960 336 HH22 ARG 113 2HH2 ARG 113 -0.794 4.482 16.682 337 H GLU 114 H GLU 114 -6.514 7.150 12.396 338 HA GLU 114 HA GLU 114 -6.336 4.315 11.946 339 HB2 GLU 114 2HB GLU 114 -7.536 5.031 13.977 340 HB3 GLU 114 1HB GLU 114 -8.720 5.867 12.983 341 HG2 GLU 114 2HG GLU 114 -9.443 3.765 12.024 342 HG3 GLU 114 1HG GLU 114 -8.200 2.905 12.922 343 H SER 115 H SER 115 -5.956 4.392 9.890 344 HA SER 115 HA SER 115 -8.258 4.246 8.162 345 HB2 SER 115 2HB SER 115 -7.537 6.659 8.078 346 HB3 SER 115 1HB SER 115 -5.944 6.122 7.562 347 HG SER 115 HG SER 115 -7.980 5.122 6.015 348 H LEU 116 H LEU 116 -6.065 2.689 9.455 349 HA LEU 116 HA LEU 116 -4.249 1.882 7.351 350 HB2 LEU 116 2HB LEU 116 -3.647 2.018 9.855 351 HB3 LEU 116 1HB LEU 116 -4.747 0.709 10.117 352 HG LEU 116 HG LEU 116 -2.070 0.468 8.655 353 HD11 LEU 116 1HD1 LEU 116 -1.883 0.912 10.999 354 HD12 LEU 116 2HD1 LEU 116 -1.418 -0.732 10.575 355 HD13 LEU 116 3HD1 LEU 116 -2.974 -0.432 11.351 356 HD21 LEU 116 3HD2 LEU 116 -3.782 -1.151 7.822 357 HD22 LEU 116 1HD2 LEU 116 -4.077 -1.639 9.492 358 HD23 LEU 116 2HD2 LEU 116 -2.500 -1.919 8.763 359 H SER 117 H SER 117 -4.666 0.457 5.988 360 HA SER 117 HA SER 117 -7.074 -1.216 6.304 361 HB2 SER 117 2HB SER 117 -7.343 -0.743 3.862 362 HB3 SER 117 1HB SER 117 -7.555 0.617 4.977 363 HG SER 117 HG SER 117 -6.014 0.569 2.950 364 H GLY 118 H GLY 118 -3.776 -1.325 5.943 365 HA2 GLY 118 2HA GLY 118 -3.756 -4.068 5.418 366 HA3 GLY 118 1HA GLY 118 -3.332 -3.181 3.953 367 H VAL 119 H VAL 119 -1.532 -4.874 5.186 368 HA VAL 119 HA VAL 119 0.541 -2.960 5.768 369 HB VAL 119 HB VAL 119 1.517 -4.441 7.577 370 HG11 VAL 119 1HG1 VAL 119 0.523 -2.345 8.141 371 HG12 VAL 119 2HG1 VAL 119 0.146 -3.535 9.389 372 HG13 VAL 119 3HG1 VAL 119 -1.080 -3.079 8.191 373 HG21 VAL 119 3HG2 VAL 119 -0.034 -5.868 8.851 374 HG22 VAL 119 1HG2 VAL 119 0.221 -6.441 7.198 375 HG23 VAL 119 2HG2 VAL 119 -1.265 -5.585 7.617 376 H CYS 120 H CYS 120 2.512 -3.566 5.186 377 HA CYS 120 HA CYS 120 2.933 -6.251 4.241 378 HB2 CYS 120 2HB CYS 120 4.136 -5.201 2.210 379 HB3 CYS 120 1HB CYS 120 2.375 -5.363 2.079 380 H GLU 121 H GLU 121 4.798 -6.968 4.945 381 HA GLU 121 HA GLU 121 6.618 -4.932 5.894 382 HB2 GLU 121 2HB GLU 121 5.937 -6.536 7.594 383 HB3 GLU 121 1HB GLU 121 6.466 -7.870 6.613 384 HG2 GLU 121 2HG GLU 121 8.440 -5.772 7.398 385 HG3 GLU 121 1HG GLU 121 7.958 -6.948 8.598 386 H ILE 122 H ILE 122 8.255 -4.491 4.901 387 HA ILE 122 HA ILE 122 9.167 -6.246 2.729 388 HB ILE 122 HB ILE 122 8.877 -3.212 2.501 389 HG12 ILE 122 2HG1 ILE 122 7.090 -5.372 1.306 390 HG13 ILE 122 1HG1 ILE 122 6.684 -4.389 2.698 391 HG21 ILE 122 1HG2 ILE 122 10.646 -4.145 1.169 392 HG22 ILE 122 2HG2 ILE 122 9.300 -3.595 0.168 393 HG23 ILE 122 3HG2 ILE 122 9.518 -5.318 0.491 394 HD11 ILE 122 3HD1 ILE 122 7.313 -3.367 -0.014 395 HD12 ILE 122 1HD1 ILE 122 6.798 -2.406 1.367 396 HD13 ILE 122 2HD1 ILE 122 5.680 -3.582 0.644 397 H SER 123 H SER 123 11.182 -6.590 2.920 398 HA SER 123 HA SER 123 13.332 -6.684 3.687 399 HB2 SER 123 2HB SER 123 14.656 -4.546 3.442 400 HB3 SER 123 1HB SER 123 13.670 -4.932 2.038 401 HG SER 123 HG SER 123 12.198 -3.455 3.653 402 H GLY 124 H GLY 124 11.314 -6.529 5.807 403 HA2 GLY 124 2HA GLY 124 11.578 -6.707 8.089 404 HA3 GLY 124 1HA GLY 124 13.124 -5.871 7.976 405 H ARG 125 H ARG 125 11.017 -4.094 6.219 406 HA ARG 125 HA ARG 125 10.561 -2.255 8.450 407 HB2 ARG 125 2HB ARG 125 12.017 -1.638 6.451 408 HB3 ARG 125 1HB ARG 125 10.558 -1.710 5.481 409 HG2 ARG 125 2HG ARG 125 9.582 0.070 6.802 410 HG3 ARG 125 1HG ARG 125 11.032 0.093 7.814 411 HD2 ARG 125 2HD ARG 125 12.357 0.569 5.735 412 HD3 ARG 125 1HD ARG 125 10.823 0.788 4.892 413 HE ARG 125 HE ARG 125 10.971 2.327 7.255 414 HH11 ARG 125 1HH1 ARG 125 11.953 2.326 3.842 415 HH12 ARG 125 2HH1 ARG 125 12.228 3.993 3.781 416 HH21 ARG 125 1HH2 ARG 125 11.361 4.593 7.180 417 HH22 ARG 125 2HH2 ARG 125 11.874 5.339 5.736 418 H LEU 126 H LEU 126 8.389 -1.586 8.826 419 HA LEU 126 HA LEU 126 6.462 -3.253 7.441 420 HB2 LEU 126 2HB LEU 126 6.728 -2.574 10.100 421 HB3 LEU 126 1HB LEU 126 5.424 -1.542 9.540 422 HG LEU 126 HG LEU 126 4.334 -3.413 10.361 423 HD11 LEU 126 1HD1 LEU 126 3.429 -2.791 8.277 424 HD12 LEU 126 2HD1 LEU 126 3.293 -4.533 8.577 425 HD13 LEU 126 3HD1 LEU 126 4.498 -3.940 7.447 426 HD21 LEU 126 3HD2 LEU 126 6.368 -5.119 8.959 427 HD22 LEU 126 1HD2 LEU 126 4.955 -5.733 9.824 428 HD23 LEU 126 2HD2 LEU 126 6.214 -4.863 10.694 429 H TYR 127 H TYR 127 5.291 -2.470 5.899 430 HA TYR 127 HA TYR 127 4.844 0.372 5.737 431 HB2 TYR 127 2HB TYR 127 5.018 -1.836 3.770 432 HB3 TYR 127 1HB TYR 127 4.143 -0.424 3.266 433 HD1 TYR 127 1HD TYR 127 5.388 1.752 3.140 434 HD2 TYR 127 2HD TYR 127 7.406 -1.910 3.913 435 HE1 TYR 127 1HE TYR 127 7.516 2.814 2.556 436 HE2 TYR 127 2HE TYR 127 9.560 -0.841 3.307 437 HH TYR 127 HH TYR 127 9.829 2.581 2.890 438 H ARG 128 H ARG 128 3.073 0.971 6.517 439 HA ARG 128 HA ARG 128 0.711 -0.773 6.603 440 HB2 ARG 128 2HB ARG 128 1.382 1.836 7.944 441 HB3 ARG 128 1HB ARG 128 -0.247 1.181 7.945 442 HG2 ARG 128 2HG ARG 128 0.387 -0.614 9.249 443 HG3 ARG 128 1HG ARG 128 2.099 -0.358 8.965 444 HD2 ARG 128 2HD ARG 128 1.877 1.833 10.165 445 HD3 ARG 128 1HD ARG 128 0.236 1.485 10.456 446 HE ARG 128 HE ARG 128 0.774 -0.255 11.934 447 HH11 ARG 128 1HH1 ARG 128 3.715 1.230 10.682 448 HH12 ARG 128 2HH1 ARG 128 4.643 0.933 12.065 449 HH21 ARG 128 1HH2 ARG 128 2.060 -0.675 13.868 450 HH22 ARG 128 2HH2 ARG 128 3.683 -0.165 13.926 451 H LEU 129 H LEU 129 -1.130 -0.226 5.546 452 HA LEU 129 HA LEU 129 -0.774 1.851 3.526 453 HB2 LEU 129 2HB LEU 129 -2.750 -0.425 3.593 454 HB3 LEU 129 1HB LEU 129 -2.449 0.671 2.257 455 HG LEU 129 HG LEU 129 -0.547 -1.403 3.325 456 HD11 LEU 129 1HD1 LEU 129 -0.756 -2.380 1.104 457 HD12 LEU 129 2HD1 LEU 129 -2.019 -1.209 0.722 458 HD13 LEU 129 3HD1 LEU 129 -2.272 -2.396 2.008 459 HD21 LEU 129 3HD2 LEU 129 0.727 0.515 2.649 460 HD22 LEU 129 1HD2 LEU 129 -0.183 0.591 1.121 461 HD23 LEU 129 2HD2 LEU 129 0.867 -0.788 1.460 462 H CYS 130 H CYS 130 -1.827 3.634 3.796 463 HA CYS 130 HA CYS 130 -4.310 3.624 5.382 464 HB2 CYS 130 2HB CYS 130 -2.495 5.967 4.688 465 HB3 CYS 130 1HB CYS 130 -3.913 6.032 5.731 466 H CYS 131 H CYS 131 -6.155 4.181 4.256 467 HA CYS 131 HA CYS 131 -5.685 5.262 1.608 468 HB2 CYS 131 2HB CYS 131 -5.659 2.737 1.512 469 HB3 CYS 131 1HB CYS 131 -7.349 2.808 1.997 470 H ARG 132 H ARG 132 -7.375 6.220 0.672 471 HA ARG 132 HA ARG 132 -9.765 6.618 2.241 472 HB2 ARG 132 2HB ARG 132 -9.638 9.063 1.722 473 HB3 ARG 132 1HB ARG 132 -8.282 8.524 2.696 474 HG2 ARG 132 2HG ARG 132 -6.929 8.401 0.599 475 HG3 ARG 132 1HG ARG 132 -8.292 9.159 -0.233 476 HD2 ARG 132 2HD ARG 132 -6.706 10.319 2.055 477 HD3 ARG 132 1HD ARG 132 -6.607 10.792 0.358 478 HE ARG 132 HE ARG 132 -9.244 11.113 1.101 479 HH11 ARG 132 1HH1 ARG 132 -6.120 12.486 2.048 480 HH12 ARG 132 2HH1 ARG 132 -6.767 13.971 2.564 481 HH21 ARG 132 1HH2 ARG 132 -10.125 13.125 1.837 482 HH22 ARG 132 2HH2 ARG 132 -9.101 14.341 2.476 Start of MODEL 6 1 H1 ALA 1 1HT ALA 1 -12.426 -0.055 4.099 2 H2 ALA 1 2HT ALA 1 -11.368 -0.872 5.163 3 H3 ALA 1 3HT ALA 1 -12.352 -1.735 4.100 4 HA ALA 1 HA ALA 1 -11.214 -0.929 2.227 5 HB1 ALA 1 2HB ALA 1 -9.174 0.410 2.511 6 HB2 ALA 1 3HB ALA 1 -9.464 0.502 4.236 7 HB3 ALA 1 1HB ALA 1 -10.587 1.277 3.120 8 H THR 2 H THR 2 -10.399 -2.845 1.663 9 HA THR 2 HA THR 2 -8.390 -4.058 3.432 10 HB THR 2 HB THR 2 -10.159 -5.301 1.304 11 HG1 THR 2 1HG THR 2 -10.221 -5.377 4.140 12 HG21 THR 2 3HG2 THR 2 -9.281 -7.463 2.109 13 HG22 THR 2 1HG2 THR 2 -8.200 -6.615 3.215 14 HG23 THR 2 2HG2 THR 2 -7.988 -6.456 1.471 15 H CYS 3 H CYS 3 -6.415 -3.543 2.632 16 HA CYS 3 HA CYS 3 -6.169 -3.363 -0.289 17 HB2 CYS 3 2HB CYS 3 -4.667 -1.626 1.665 18 HB3 CYS 3 1HB CYS 3 -4.784 -1.436 -0.068 19 H TYR 4 H TYR 4 -3.749 -3.545 -0.879 20 HA TYR 4 HA TYR 4 -2.056 -4.768 0.995 21 HB2 TYR 4 2HB TYR 4 -1.807 -6.925 -0.312 22 HB3 TYR 4 1HB TYR 4 -3.277 -6.780 0.630 23 HD1 TYR 4 1HD TYR 4 -1.906 -6.535 -2.807 24 HD2 TYR 4 2HD TYR 4 -5.379 -6.971 -0.397 25 HE1 TYR 4 1HE TYR 4 -3.207 -7.071 -4.800 26 HE2 TYR 4 2HE TYR 4 -6.703 -7.510 -2.370 27 HH TYR 4 HH TYR 4 -6.610 -7.157 -4.791 28 H CYS 5 H CYS 5 0.007 -5.216 0.110 29 HA CYS 5 HA CYS 5 0.609 -3.241 -1.923 30 HB2 CYS 5 2HB CYS 5 2.553 -4.840 -0.215 31 HB3 CYS 5 1HB CYS 5 2.810 -3.325 -1.089 32 H ARG 6 H ARG 6 0.627 -3.978 -3.962 33 HA ARG 6 HA ARG 6 1.433 -6.759 -4.497 34 HB2 ARG 6 2HB ARG 6 0.386 -6.331 -6.781 35 HB3 ARG 6 1HB ARG 6 -0.728 -6.408 -5.423 36 HG2 ARG 6 2HG ARG 6 -1.025 -4.102 -5.402 37 HG3 ARG 6 1HG ARG 6 0.354 -3.823 -6.472 38 HD2 ARG 6 2HD ARG 6 -0.856 -4.803 -8.306 39 HD3 ARG 6 1HD ARG 6 -2.164 -5.286 -7.229 40 HE ARG 6 HE ARG 6 -2.473 -2.851 -6.840 41 HH11 ARG 6 1HH1 ARG 6 -0.981 -3.839 -9.878 42 HH12 ARG 6 2HH1 ARG 6 -1.797 -2.711 -10.838 43 HH21 ARG 6 1HH2 ARG 6 -3.678 -1.242 -8.230 44 HH22 ARG 6 2HH2 ARG 6 -3.354 -1.262 -9.895 45 H THR 7 H THR 7 2.967 -7.236 -6.137 46 HA THR 7 HA THR 7 4.869 -5.076 -6.518 47 HB THR 7 HB THR 7 6.382 -6.923 -7.223 48 HG1 THR 7 1HG THR 7 5.687 -8.991 -7.051 49 HG21 THR 7 3HG2 THR 7 4.943 -7.364 -4.605 50 HG22 THR 7 1HG2 THR 7 6.289 -6.260 -4.868 51 HG23 THR 7 2HG2 THR 7 6.532 -8.005 -5.010 52 H GLY 8 H GLY 8 2.254 -5.864 -8.089 53 HA2 GLY 8 2HA GLY 8 3.126 -5.023 -10.634 54 HA3 GLY 8 1HA GLY 8 2.780 -6.757 -10.594 55 H ARG 9 H ARG 9 0.836 -7.171 -11.286 56 HA ARG 9 HA ARG 9 -1.248 -5.181 -10.896 57 HB2 ARG 9 2HB ARG 9 -2.585 -6.519 -12.486 58 HB3 ARG 9 1HB ARG 9 -1.029 -6.050 -13.157 59 HG2 ARG 9 2HG ARG 9 -0.161 -8.254 -12.776 60 HG3 ARG 9 1HG ARG 9 -1.644 -8.727 -11.955 61 HD2 ARG 9 2HD ARG 9 -2.907 -8.445 -14.017 62 HD3 ARG 9 1HD ARG 9 -1.463 -7.881 -14.855 63 HE ARG 9 HE ARG 9 -0.614 -10.210 -14.077 64 HH11 ARG 9 1HH1 ARG 9 -3.825 -9.477 -15.398 65 HH12 ARG 9 2HH1 ARG 9 -4.015 -10.980 -16.162 66 HH21 ARG 9 1HH2 ARG 9 -0.866 -12.280 -15.150 67 HH22 ARG 9 2HH2 ARG 9 -2.290 -12.624 -16.012 68 H CYS 10 H CYS 10 -3.543 -6.228 -10.464 69 HA CYS 10 HA CYS 10 -3.582 -8.647 -8.956 70 HB2 CYS 10 2HB CYS 10 -4.974 -7.495 -7.165 71 HB3 CYS 10 1HB CYS 10 -3.323 -6.926 -7.119 72 H ALA 11 H ALA 11 -6.088 -9.101 -8.622 73 HA ALA 11 HA ALA 11 -7.254 -8.925 -11.229 74 HB1 ALA 11 1HB ALA 11 -9.093 -10.203 -10.278 75 HB2 ALA 11 2HB ALA 11 -8.498 -9.874 -8.653 76 HB3 ALA 11 3HB ALA 11 -7.550 -10.876 -9.751 77 H THR 12 H THR 12 -7.019 -6.584 -9.136 78 HA THR 12 HA THR 12 -9.415 -5.223 -10.073 79 HB THR 12 HB THR 12 -9.829 -5.808 -7.724 80 HG1 THR 12 1HG THR 12 -9.215 -3.125 -8.251 81 HG21 THR 12 3HG2 THR 12 -7.558 -6.210 -6.990 82 HG22 THR 12 1HG2 THR 12 -8.307 -5.033 -5.904 83 HG23 THR 12 2HG2 THR 12 -7.163 -4.523 -7.168 84 H ARG 13 H ARG 13 -6.999 -5.422 -11.231 85 HA ARG 13 HA ARG 13 -4.797 -3.946 -10.661 86 HB2 ARG 13 2HB ARG 13 -5.189 -5.612 -12.520 87 HB3 ARG 13 1HB ARG 13 -5.938 -4.327 -13.435 88 HG2 ARG 13 2HG ARG 13 -3.065 -4.315 -12.501 89 HG3 ARG 13 1HG ARG 13 -3.591 -4.862 -14.084 90 HD2 ARG 13 2HD ARG 13 -3.926 -2.116 -12.941 91 HD3 ARG 13 1HD ARG 13 -2.683 -2.599 -14.095 92 HE ARG 13 HE ARG 13 -5.172 -3.258 -15.177 93 HH11 ARG 13 1HH1 ARG 13 -3.447 -0.304 -14.319 94 HH12 ARG 13 2HH1 ARG 13 -4.168 0.628 -15.551 95 HH21 ARG 13 1HH2 ARG 13 -6.176 -1.984 -16.803 96 HH22 ARG 13 2HH2 ARG 13 -5.758 -0.335 -17.000 97 H GLU 14 H GLU 14 -7.721 -2.715 -12.347 98 HA GLU 14 HA GLU 14 -6.659 -0.254 -13.148 99 HB2 GLU 14 2HB GLU 14 -8.820 -1.085 -13.987 100 HB3 GLU 14 1HB GLU 14 -9.530 -0.854 -12.397 101 HG2 GLU 14 2HG GLU 14 -9.057 1.565 -12.573 102 HG3 GLU 14 1HG GLU 14 -8.459 1.297 -14.204 103 H SER 15 H SER 15 -7.960 -1.265 -10.064 104 HA SER 15 HA SER 15 -8.002 1.397 -9.064 105 HB2 SER 15 2HB SER 15 -9.671 -0.224 -8.255 106 HB3 SER 15 1HB SER 15 -8.382 -1.243 -7.619 107 HG SER 15 HG SER 15 -9.638 0.734 -6.440 108 H LEU 16 H LEU 16 -5.815 1.825 -9.606 109 HA LEU 16 HA LEU 16 -3.968 0.823 -7.589 110 HB2 LEU 16 2HB LEU 16 -3.200 0.900 -10.012 111 HB3 LEU 16 1HB LEU 16 -3.433 2.620 -9.995 112 HG LEU 16 HG LEU 16 -1.272 1.161 -8.395 113 HD11 LEU 16 1HD1 LEU 16 -0.901 1.033 -10.760 114 HD12 LEU 16 2HD1 LEU 16 0.225 2.150 -9.986 115 HD13 LEU 16 3HD1 LEU 16 -1.147 2.774 -10.909 116 HD21 LEU 16 3HD2 LEU 16 -0.396 3.550 -8.209 117 HD22 LEU 16 1HD2 LEU 16 -1.897 3.258 -7.300 118 HD23 LEU 16 2HD2 LEU 16 -1.939 4.049 -8.855 119 H SER 17 H SER 17 -3.951 1.852 -5.863 120 HA SER 17 HA SER 17 -5.222 4.483 -5.801 121 HB2 SER 17 2HB SER 17 -5.617 3.954 -3.396 122 HB3 SER 17 1HB SER 17 -6.373 2.841 -4.544 123 HG SER 17 HG SER 17 -5.249 1.920 -2.700 124 H GLY 18 H GLY 18 -2.245 2.919 -5.260 125 HA2 GLY 18 2HA GLY 18 -0.937 5.365 -4.843 126 HA3 GLY 18 1HA GLY 18 -1.034 4.439 -3.345 127 H VAL 19 H VAL 19 1.377 5.009 -4.503 128 HA VAL 19 HA VAL 19 2.278 2.317 -5.117 129 HB VAL 19 HB VAL 19 4.010 3.357 -6.709 130 HG11 VAL 19 1HG1 VAL 19 1.127 3.062 -7.408 131 HG12 VAL 19 2HG1 VAL 19 2.404 1.836 -7.540 132 HG13 VAL 19 3HG1 VAL 19 2.392 3.231 -8.624 133 HG21 VAL 19 3HG2 VAL 19 3.223 5.329 -7.947 134 HG22 VAL 19 1HG2 VAL 19 3.534 5.690 -6.246 135 HG23 VAL 19 2HG2 VAL 19 1.878 5.477 -6.816 136 H CYS 20 H CYS 20 4.236 1.814 -4.478 137 HA CYS 20 HA CYS 20 5.984 3.825 -3.433 138 HB2 CYS 20 2HB CYS 20 6.360 2.332 -1.384 139 HB3 CYS 20 1HB CYS 20 4.900 3.339 -1.346 140 H GLU 21 H GLU 21 7.766 3.430 -4.535 141 HA GLU 21 HA GLU 21 8.236 0.651 -5.238 142 HB2 GLU 21 2HB GLU 21 8.315 2.364 -7.020 143 HB3 GLU 21 1HB GLU 21 9.644 3.138 -6.210 144 HG2 GLU 21 2HG GLU 21 10.947 1.034 -6.405 145 HG3 GLU 21 1HG GLU 21 9.644 0.359 -7.355 146 H ILE 22 H ILE 22 9.380 -0.434 -3.957 147 HA ILE 22 HA ILE 22 11.350 0.909 -2.233 148 HB ILE 22 HB ILE 22 9.578 -1.447 -1.430 149 HG12 ILE 22 2HG1 ILE 22 9.224 1.484 -0.704 150 HG13 ILE 22 1HG1 ILE 22 8.271 0.624 -1.910 151 HG21 ILE 22 1HG2 ILE 22 10.324 -0.912 0.809 152 HG22 ILE 22 2HG2 ILE 22 11.313 0.404 0.185 153 HG23 ILE 22 3HG2 ILE 22 11.703 -1.264 -0.236 154 HD11 ILE 22 3HD1 ILE 22 7.454 -0.855 -0.247 155 HD12 ILE 22 1HD1 ILE 22 7.128 0.821 0.211 156 HD13 ILE 22 2HD1 ILE 22 8.458 -0.069 0.976 157 H SER 23 H SER 23 13.263 -0.060 -2.213 158 HA SER 23 HA SER 23 15.022 -1.274 -2.869 159 HB2 SER 23 2HB SER 23 14.863 -3.765 -2.531 160 HB3 SER 23 1HB SER 23 14.246 -2.838 -1.170 161 HG SER 23 HG SER 23 12.199 -3.194 -2.678 162 H GLY 24 H GLY 24 13.422 -0.269 -4.954 163 HA2 GLY 24 2HA GLY 24 13.649 -0.266 -7.263 164 HA3 GLY 24 1HA GLY 24 14.591 -1.739 -7.132 165 H ARG 25 H ARG 25 11.710 -2.161 -5.507 166 HA ARG 25 HA ARG 25 10.496 -3.462 -7.823 167 HB2 ARG 25 2HB ARG 25 11.285 -4.921 -5.933 168 HB3 ARG 25 1HB ARG 25 10.231 -4.026 -4.865 169 HG2 ARG 25 2HG ARG 25 8.290 -4.820 -6.020 170 HG3 ARG 25 1HG ARG 25 9.332 -5.585 -7.232 171 HD2 ARG 25 2HD ARG 25 9.283 -6.292 -4.291 172 HD3 ARG 25 1HD ARG 25 8.466 -7.208 -5.556 173 HE ARG 25 HE ARG 25 11.179 -6.913 -6.206 174 HH11 ARG 25 1HH1 ARG 25 9.123 -8.722 -3.929 175 HH12 ARG 25 2HH1 ARG 25 10.223 -10.014 -3.794 176 HH21 ARG 25 1HH2 ARG 25 12.657 -8.743 -5.996 177 HH22 ARG 25 2HH2 ARG 25 12.220 -10.035 -4.965 178 H LEU 26 H LEU 26 8.271 -2.868 -8.248 179 HA LEU 26 HA LEU 26 7.566 -0.416 -6.868 180 HB2 LEU 26 2HB LEU 26 7.486 -0.934 -9.489 181 HB3 LEU 26 1HB LEU 26 5.926 -1.606 -9.045 182 HG LEU 26 HG LEU 26 5.284 0.473 -9.679 183 HD11 LEU 26 1HD1 LEU 26 4.460 0.186 -7.522 184 HD12 LEU 26 2HD1 LEU 26 4.774 1.893 -7.905 185 HD13 LEU 26 3HD1 LEU 26 5.896 1.003 -6.857 186 HD21 LEU 26 3HD2 LEU 26 7.886 1.537 -8.650 187 HD22 LEU 26 1HD2 LEU 26 6.569 2.560 -9.256 188 HD23 LEU 26 2HD2 LEU 26 7.325 1.385 -10.311 189 H TYR 27 H TYR 27 6.305 -0.633 -5.169 190 HA TYR 27 HA TYR 27 4.438 -2.824 -5.035 191 HB2 TYR 27 2HB TYR 27 5.557 -0.891 -3.062 192 HB3 TYR 27 1HB TYR 27 4.225 -1.884 -2.565 193 HD1 TYR 27 1HD TYR 27 4.596 -4.423 -2.615 194 HD2 TYR 27 2HD TYR 27 7.775 -1.637 -3.088 195 HE1 TYR 27 1HE TYR 27 6.219 -6.181 -2.045 196 HE2 TYR 27 2HE TYR 27 9.405 -3.404 -2.504 197 HH TYR 27 HH TYR 27 8.474 -6.702 -2.313 198 H ARG 28 H ARG 28 2.711 -2.381 -6.060 199 HA ARG 28 HA ARG 28 1.501 0.283 -6.047 200 HB2 ARG 28 2HB ARG 28 0.850 -2.260 -7.498 201 HB3 ARG 28 1HB ARG 28 -0.257 -0.898 -7.475 202 HG2 ARG 28 2HG ARG 28 1.239 0.444 -8.646 203 HG3 ARG 28 1HG ARG 28 2.574 -0.670 -8.457 204 HD2 ARG 28 2HD ARG 28 1.171 -2.341 -9.759 205 HD3 ARG 28 1HD ARG 28 0.037 -1.103 -10.008 206 HE ARG 28 HE ARG 28 1.641 0.186 -11.262 207 HH11 ARG 28 1HH1 ARG 28 2.733 -3.044 -10.544 208 HH12 ARG 28 2HH1 ARG 28 3.577 -3.281 -12.023 209 HH21 ARG 28 1HH2 ARG 28 2.816 -0.075 -13.290 210 HH22 ARG 28 2HH2 ARG 28 3.629 -1.530 -13.625 211 H LEU 29 H LEU 29 -0.533 0.618 -5.253 212 HA LEU 29 HA LEU 29 -1.389 -1.404 -3.337 213 HB2 LEU 29 2HB LEU 29 -1.998 1.547 -3.366 214 HB3 LEU 29 1HB LEU 29 -2.370 0.400 -2.090 215 HG LEU 29 HG LEU 29 0.366 1.349 -2.909 216 HD11 LEU 29 1HD1 LEU 29 0.461 2.260 -0.654 217 HD12 LEU 29 2HD1 LEU 29 -1.227 1.807 -0.409 218 HD13 LEU 29 3HD1 LEU 29 -0.800 3.003 -1.638 219 HD21 LEU 29 3HD2 LEU 29 0.507 -0.962 -2.270 220 HD22 LEU 29 1HD2 LEU 29 -0.429 -0.613 -0.795 221 HD23 LEU 29 2HD2 LEU 29 1.180 0.097 -1.021 222 H CYS 30 H CYS 30 -3.162 -2.461 -3.944 223 HA CYS 30 HA CYS 30 -5.200 -0.876 -5.243 224 HB2 CYS 30 2HB CYS 30 -6.020 -2.987 -6.458 225 HB3 CYS 30 1HB CYS 30 -4.448 -2.409 -6.984 226 H CYS 31 H CYS 31 -7.327 -1.274 -4.524 227 HA CYS 31 HA CYS 31 -7.212 -2.748 -2.026 228 HB2 CYS 31 2HB CYS 31 -6.661 -0.319 -1.708 229 HB3 CYS 31 1HB CYS 31 -8.298 0.032 -2.236 230 H ARG 32 H ARG 32 -9.083 -3.441 -1.225 231 HA ARG 32 HA ARG 32 -11.365 -3.627 -3.047 232 HB2 ARG 32 2HB ARG 32 -10.380 -5.725 -2.413 233 HB3 ARG 32 1HB ARG 32 -10.385 -5.271 -0.722 234 HG2 ARG 32 2HG ARG 32 -12.862 -5.299 -0.785 235 HG3 ARG 32 1HG ARG 32 -12.769 -5.900 -2.445 236 HD2 ARG 32 2HD ARG 32 -11.527 -7.841 -1.703 237 HD3 ARG 32 1HD ARG 32 -11.506 -7.220 -0.055 238 HE ARG 32 HE ARG 32 -14.144 -7.486 -1.065 239 HH11 ARG 32 1HH1 ARG 32 -11.472 -9.334 0.316 240 HH12 ARG 32 2HH1 ARG 32 -12.465 -10.556 0.975 241 HH21 ARG 32 1HH2 ARG 32 -15.504 -9.141 -0.158 242 HH22 ARG 32 2HH2 ARG 32 -14.818 -10.432 0.720 243 H1 ALA 101 H ALA 101 -8.477 5.731 -6.219 244 HA ALA 101 HA ALA 101 -9.694 6.066 -3.670 245 HB1 ALA 101 1HB ALA 101 -9.890 3.643 -3.921 246 HB2 ALA 101 2HB ALA 101 -8.634 4.011 -2.734 247 HB3 ALA 101 3HB ALA 101 -8.196 3.538 -4.374 248 H THR 102 H THR 102 -8.135 6.790 -2.149 249 HA THR 102 HA THR 102 -5.513 7.365 -3.317 250 HB THR 102 HB THR 102 -7.098 8.854 -1.222 251 HG1 THR 102 1HG THR 102 -7.589 9.003 -3.554 252 HG21 THR 102 3HG2 THR 102 -4.698 8.948 -0.722 253 HG22 THR 102 1HG2 THR 102 -5.266 10.516 -1.290 254 HG23 THR 102 2HG2 THR 102 -4.361 9.453 -2.374 255 H CYS 103 H CYS 103 -4.021 6.013 -2.480 256 HA CYS 103 HA CYS 103 -4.069 5.571 0.403 257 HB2 CYS 103 2HB CYS 103 -3.534 3.373 -1.628 258 HB3 CYS 103 1HB CYS 103 -3.542 3.212 0.117 259 H TYR 104 H TYR 104 -1.839 4.640 1.057 260 HA TYR 104 HA TYR 104 0.302 4.955 -0.683 261 HB2 TYR 104 2HB TYR 104 1.444 6.848 0.548 262 HB3 TYR 104 1HB TYR 104 0.095 7.317 -0.464 263 HD1 TYR 104 1HD TYR 104 1.167 6.793 3.044 264 HD2 TYR 104 2HD TYR 104 -1.770 8.456 0.458 265 HE1 TYR 104 1HE TYR 104 0.226 8.016 4.926 266 HE2 TYR 104 2HE TYR 104 -2.741 9.703 2.338 267 HH TYR 104 HH TYR 104 -2.833 9.641 4.734 268 H CYS 105 H CYS 105 2.316 4.441 0.295 269 HA CYS 105 HA CYS 105 1.850 2.484 2.357 270 HB2 CYS 105 2HB CYS 105 4.404 3.028 0.805 271 HB3 CYS 105 1HB CYS 105 3.927 1.588 1.716 272 H ARG 106 H ARG 106 1.928 3.264 4.348 273 HA ARG 106 HA ARG 106 3.861 5.353 5.014 274 HB2 ARG 106 2HB ARG 106 2.562 5.377 7.242 275 HB3 ARG 106 1HB ARG 106 1.778 6.051 5.819 276 HG2 ARG 106 2HG ARG 106 0.332 4.334 5.653 277 HG3 ARG 106 1HG ARG 106 1.324 3.206 6.603 278 HD2 ARG 106 2HD ARG 106 0.798 4.455 8.600 279 HD3 ARG 106 1HD ARG 106 -0.050 5.675 7.665 280 HE ARG 106 HE ARG 106 -1.496 3.670 7.007 281 HH11 ARG 106 1HH1 ARG 106 -0.006 3.983 10.195 282 HH12 ARG 106 2HH1 ARG 106 -1.395 3.467 11.048 283 HH21 ARG 106 1HH2 ARG 106 -3.454 2.948 8.236 284 HH22 ARG 106 2HH2 ARG 106 -3.322 2.882 9.932 285 H THR 107 H THR 107 5.272 5.179 6.766 286 HA THR 107 HA THR 107 6.184 2.473 7.197 287 HB THR 107 HB THR 107 8.175 3.701 8.149 288 HG1 THR 107 1HG THR 107 8.104 5.791 8.306 289 HG21 THR 107 3HG2 THR 107 8.092 2.931 5.810 290 HG22 THR 107 1HG2 THR 107 8.981 4.452 5.954 291 HG23 THR 107 2HG2 THR 107 7.321 4.444 5.348 292 H GLY 108 H GLY 108 4.021 4.353 8.646 293 HA2 GLY 108 2HA GLY 108 4.118 3.031 11.130 294 HA3 GLY 108 1HA GLY 108 4.688 4.695 11.272 295 H ARG 109 H ARG 109 3.265 6.251 11.381 296 HA ARG 109 HA ARG 109 0.497 5.471 11.039 297 HB2 ARG 109 2HB ARG 109 -0.070 7.564 12.312 298 HB3 ARG 109 1HB ARG 109 0.885 6.403 13.218 299 HG2 ARG 109 2HG ARG 109 2.869 7.693 12.909 300 HG3 ARG 109 1HG ARG 109 2.037 8.787 11.801 301 HD2 ARG 109 2HD ARG 109 0.605 9.567 13.588 302 HD3 ARG 109 1HD ARG 109 1.310 8.405 14.711 303 HE ARG 109 HE ARG 109 3.443 9.670 14.292 304 HH11 ARG 109 1HH1 ARG 109 0.293 11.305 14.074 305 HH12 ARG 109 2HH1 ARG 109 0.856 12.812 14.578 306 HH21 ARG 109 1HH2 ARG 109 4.236 11.757 15.023 307 HH22 ARG 109 2HH2 ARG 109 3.167 13.077 15.135 308 H CYS 110 H CYS 110 -0.974 7.583 10.239 309 HA CYS 110 HA CYS 110 0.509 9.279 8.503 310 HB2 CYS 110 2HB CYS 110 -1.085 8.827 6.614 311 HB3 CYS 110 1HB CYS 110 -0.053 7.451 6.914 312 H ALA 111 H ALA 111 -1.175 10.908 7.554 313 HA ALA 111 HA ALA 111 -2.401 12.096 9.831 314 HB1 ALA 111 1HB ALA 111 -2.556 12.860 6.922 315 HB2 ALA 111 2HB ALA 111 -1.322 13.398 8.064 316 HB3 ALA 111 3HB ALA 111 -3.006 13.874 8.291 317 H THR 112 H THR 112 -3.462 9.534 8.467 318 HA THR 112 HA THR 112 -6.160 10.180 9.085 319 HB THR 112 HB THR 112 -6.219 10.206 6.666 320 HG1 THR 112 1HG THR 112 -7.832 9.039 7.863 321 HG21 THR 112 3HG2 THR 112 -4.845 7.527 6.793 322 HG22 THR 112 1HG2 THR 112 -4.160 9.011 6.170 323 HG23 THR 112 2HG2 THR 112 -5.488 8.225 5.295 324 H ARG 113 H ARG 113 -5.852 9.265 11.025 325 HA ARG 113 HA ARG 113 -4.634 6.700 11.349 326 HB2 ARG 113 2HB ARG 113 -6.233 8.330 13.344 327 HB3 ARG 113 1HB ARG 113 -5.276 6.878 13.661 328 HG2 ARG 113 2HG ARG 113 -4.131 9.452 12.640 329 HG3 ARG 113 1HG ARG 113 -4.176 8.985 14.341 330 HD2 ARG 113 2HD ARG 113 -2.771 7.539 12.101 331 HD3 ARG 113 1HD ARG 113 -2.004 8.463 13.384 332 HE ARG 113 HE ARG 113 -3.466 5.926 13.762 333 HH11 ARG 113 1HH1 ARG 113 -1.095 8.256 15.005 334 HH12 ARG 113 2HH1 ARG 113 -0.410 7.155 16.103 335 HH21 ARG 113 1HH2 ARG 113 -2.535 4.449 15.316 336 HH22 ARG 113 2HH2 ARG 113 -1.242 4.969 16.290 337 H GLU 114 H GLU 114 -5.977 5.093 12.817 338 HA GLU 114 HA GLU 114 -7.614 3.580 13.023 339 HB2 GLU 114 2HB GLU 114 -9.230 5.367 13.406 340 HB3 GLU 114 1HB GLU 114 -9.366 5.647 11.677 341 HG2 GLU 114 2HG GLU 114 -10.342 3.411 11.412 342 HG3 GLU 114 1HG GLU 114 -10.248 3.178 13.154 343 H SER 115 H SER 115 -7.540 5.088 9.876 344 HA SER 115 HA SER 115 -8.506 2.808 8.502 345 HB2 SER 115 2HB SER 115 -8.923 5.085 7.683 346 HB3 SER 115 1HB SER 115 -7.197 5.330 7.450 347 HG SER 115 HG SER 115 -8.134 4.841 5.527 348 H LEU 116 H LEU 116 -6.839 1.363 9.539 349 HA LEU 116 HA LEU 116 -4.523 1.229 7.751 350 HB2 LEU 116 2HB LEU 116 -4.054 1.012 10.222 351 HB3 LEU 116 1HB LEU 116 -5.055 -0.421 10.277 352 HG LEU 116 HG LEU 116 -2.365 -0.189 8.840 353 HD11 LEU 116 1HD1 LEU 116 -2.184 -0.056 11.233 354 HD12 LEU 116 2HD1 LEU 116 -1.562 -1.582 10.606 355 HD13 LEU 116 3HD1 LEU 116 -3.142 -1.531 11.398 356 HD21 LEU 116 3HD2 LEU 116 -4.147 -2.583 9.370 357 HD22 LEU 116 1HD2 LEU 116 -2.536 -2.627 8.661 358 HD23 LEU 116 2HD2 LEU 116 -3.859 -1.859 7.790 359 H SER 117 H SER 117 -4.805 0.185 6.057 360 HA SER 117 HA SER 117 -7.112 -1.621 5.936 361 HB2 SER 117 2HB SER 117 -7.038 -1.037 3.511 362 HB3 SER 117 1HB SER 117 -7.403 0.289 4.615 363 HG SER 117 HG SER 117 -5.802 0.640 2.892 364 H GLY 118 H GLY 118 -3.732 -1.598 5.752 365 HA2 GLY 118 2HA GLY 118 -3.605 -4.352 5.323 366 HA3 GLY 118 1HA GLY 118 -3.201 -3.505 3.832 367 H VAL 119 H VAL 119 -1.364 -5.082 5.113 368 HA VAL 119 HA VAL 119 0.632 -3.075 5.710 369 HB VAL 119 HB VAL 119 1.687 -4.676 7.412 370 HG11 VAL 119 1HG1 VAL 119 -0.874 -3.270 8.111 371 HG12 VAL 119 2HG1 VAL 119 0.766 -2.587 8.131 372 HG13 VAL 119 3HG1 VAL 119 0.318 -3.838 9.282 373 HG21 VAL 119 3HG2 VAL 119 -1.124 -5.742 7.483 374 HG22 VAL 119 1HG2 VAL 119 0.154 -6.142 8.632 375 HG23 VAL 119 2HG2 VAL 119 0.304 -6.616 6.932 376 H CYS 120 H CYS 120 2.683 -3.619 5.228 377 HA CYS 120 HA CYS 120 3.309 -6.212 4.169 378 HB2 CYS 120 2HB CYS 120 4.436 -5.024 2.177 379 HB3 CYS 120 1HB CYS 120 2.693 -5.336 2.024 380 H GLU 121 H GLU 121 5.185 -6.759 5.040 381 HA GLU 121 HA GLU 121 6.878 -4.568 5.869 382 HB2 GLU 121 2HB GLU 121 6.242 -6.237 7.572 383 HB3 GLU 121 1HB GLU 121 6.960 -7.497 6.619 384 HG2 GLU 121 2HG GLU 121 8.619 -5.184 7.563 385 HG3 GLU 121 1HG GLU 121 8.300 -6.520 8.639 386 H ILE 122 H ILE 122 8.574 -4.126 4.880 387 HA ILE 122 HA ILE 122 9.495 -5.936 2.763 388 HB ILE 122 HB ILE 122 9.163 -2.930 2.305 389 HG12 ILE 122 2HG1 ILE 122 7.400 -5.194 1.281 390 HG13 ILE 122 1HG1 ILE 122 6.975 -4.136 2.615 391 HG21 ILE 122 1HG2 ILE 122 10.932 -3.974 1.036 392 HG22 ILE 122 2HG2 ILE 122 9.580 -3.489 0.014 393 HG23 ILE 122 3HG2 ILE 122 9.796 -5.187 0.442 394 HD11 ILE 122 3HD1 ILE 122 5.947 -3.479 0.532 395 HD12 ILE 122 1HD1 ILE 122 7.559 -3.284 -0.169 396 HD13 ILE 122 2HD1 ILE 122 7.055 -2.246 1.171 397 H SER 123 H SER 123 11.446 -6.292 2.956 398 HA SER 123 HA SER 123 13.555 -6.417 3.670 399 HB2 SER 123 2HB SER 123 15.014 -4.538 2.897 400 HB3 SER 123 1HB SER 123 13.827 -5.129 1.736 401 HG SER 123 HG SER 123 14.019 -2.902 1.780 402 H GLY 124 H GLY 124 11.800 -5.737 5.860 403 HA2 GLY 124 2HA GLY 124 12.676 -5.819 8.076 404 HA3 GLY 124 1HA GLY 124 13.913 -4.672 7.592 405 H ARG 125 H ARG 125 11.254 -3.473 6.161 406 HA ARG 125 HA ARG 125 10.620 -1.853 8.538 407 HB2 ARG 125 2HB ARG 125 11.881 -0.725 6.719 408 HB3 ARG 125 1HB ARG 125 10.538 -1.058 5.638 409 HG2 ARG 125 2HG ARG 125 9.084 0.295 7.042 410 HG3 ARG 125 1HG ARG 125 10.474 0.552 8.115 411 HD2 ARG 125 2HD ARG 125 10.344 1.375 5.216 412 HD3 ARG 125 1HD ARG 125 10.106 2.463 6.581 413 HE ARG 125 HE ARG 125 12.508 1.500 7.143 414 HH11 ARG 125 1HH1 ARG 125 11.262 2.585 3.998 415 HH12 ARG 125 2HH1 ARG 125 12.754 3.230 3.495 416 HH21 ARG 125 1HH2 ARG 125 14.552 2.377 6.406 417 HH22 ARG 125 2HH2 ARG 125 14.659 3.100 4.883 418 H LEU 126 H LEU 126 8.395 -1.516 9.020 419 HA LEU 126 HA LEU 126 6.617 -3.286 7.549 420 HB2 LEU 126 2HB LEU 126 6.851 -2.848 10.220 421 HB3 LEU 126 1HB LEU 126 5.625 -1.660 9.809 422 HG LEU 126 HG LEU 126 4.337 -3.409 10.446 423 HD11 LEU 126 1HD1 LEU 126 3.264 -4.449 8.637 424 HD12 LEU 126 2HD1 LEU 126 4.560 -3.952 7.557 425 HD13 LEU 126 3HD1 LEU 126 3.551 -2.725 8.355 426 HD21 LEU 126 3HD2 LEU 126 4.788 -5.800 9.891 427 HD22 LEU 126 1HD2 LEU 126 6.030 -5.032 10.892 428 HD23 LEU 126 2HD2 LEU 126 6.325 -5.255 9.187 429 H TYR 127 H TYR 127 5.496 -2.425 5.963 430 HA TYR 127 HA TYR 127 4.861 0.390 5.954 431 HB2 TYR 127 2HB TYR 127 5.040 -1.756 3.918 432 HB3 TYR 127 1HB TYR 127 4.219 -0.306 3.448 433 HD1 TYR 127 1HD TYR 127 5.590 1.885 3.719 434 HD2 TYR 127 2HD TYR 127 7.350 -1.983 3.801 435 HE1 TYR 127 1HE TYR 127 7.764 2.875 3.203 436 HE2 TYR 127 2HE TYR 127 9.552 -0.991 3.269 437 HH TYR 127 HH TYR 127 10.435 1.032 2.245 438 H ARG 128 H ARG 128 2.972 0.979 6.525 439 HA ARG 128 HA ARG 128 0.714 -0.900 6.566 440 HB2 ARG 128 2HB ARG 128 1.194 1.734 7.911 441 HB3 ARG 128 1HB ARG 128 -0.413 1.037 7.795 442 HG2 ARG 128 2HG ARG 128 0.181 -0.768 9.105 443 HG3 ARG 128 1HG ARG 128 1.892 -0.423 9.034 444 HD2 ARG 128 2HD ARG 128 1.360 1.767 10.194 445 HD3 ARG 128 1HD ARG 128 -0.253 1.217 10.365 446 HE ARG 128 HE ARG 128 0.387 -0.426 11.884 447 HH11 ARG 128 1HH1 ARG 128 3.217 1.309 10.682 448 HH12 ARG 128 2HH1 ARG 128 4.184 0.975 12.038 449 HH21 ARG 128 1HH2 ARG 128 1.717 -0.911 13.731 450 HH22 ARG 128 2HH2 ARG 128 3.318 -0.331 13.812 451 H LEU 129 H LEU 129 -1.208 -0.281 5.650 452 HA LEU 129 HA LEU 129 -0.887 1.762 3.593 453 HB2 LEU 129 2HB LEU 129 -2.772 -0.592 3.634 454 HB3 LEU 129 1HB LEU 129 -2.506 0.529 2.301 455 HG LEU 129 HG LEU 129 -0.570 -1.513 3.368 456 HD11 LEU 129 1HD1 LEU 129 -2.019 -1.304 0.757 457 HD12 LEU 129 2HD1 LEU 129 -2.248 -2.535 2.013 458 HD13 LEU 129 3HD1 LEU 129 -0.726 -2.437 1.115 459 HD21 LEU 129 3HD2 LEU 129 0.881 -0.858 1.571 460 HD22 LEU 129 1HD2 LEU 129 0.641 0.469 2.719 461 HD23 LEU 129 2HD2 LEU 129 -0.219 0.466 1.157 462 H CYS 130 H CYS 130 -2.151 3.480 3.773 463 HA CYS 130 HA CYS 130 -4.640 3.123 5.166 464 HB2 CYS 130 2HB CYS 130 -4.376 5.462 6.204 465 HB3 CYS 130 1HB CYS 130 -3.302 4.222 6.829 466 H CYS 131 H CYS 131 -6.326 4.082 4.293 467 HA CYS 131 HA CYS 131 -5.748 5.453 1.800 468 HB2 CYS 131 2HB CYS 131 -8.015 3.580 2.425 469 HB3 CYS 131 1HB CYS 131 -7.810 4.445 0.905 470 H ARG 132 H ARG 132 -6.857 7.110 1.229 471 HA ARG 132 HA ARG 132 -8.111 8.646 3.355 472 HB2 ARG 132 2HB ARG 132 -6.121 9.531 2.306 473 HB3 ARG 132 1HB ARG 132 -6.843 9.370 0.723 474 HG2 ARG 132 2HG ARG 132 -8.469 11.043 1.277 475 HG3 ARG 132 1HG ARG 132 -7.766 11.230 2.902 476 HD2 ARG 132 2HD ARG 132 -5.601 11.799 1.815 477 HD3 ARG 132 1HD ARG 132 -6.409 11.731 0.254 478 HE ARG 132 HE ARG 132 -7.819 13.479 1.870 479 HH11 ARG 132 1HH1 ARG 132 -4.641 13.286 0.311 480 HH12 ARG 132 2HH1 ARG 132 -4.438 14.961 0.176 481 HH21 ARG 132 1HH2 ARG 132 -7.535 15.794 1.700 482 HH22 ARG 132 2HH2 ARG 132 -6.129 16.454 1.045 Start of MODEL 7 1 H1 ALA 1 1HT ALA 1 -11.136 -1.043 5.704 2 H2 ALA 1 2HT ALA 1 -12.198 -1.971 4.803 3 H3 ALA 1 3HT ALA 1 -12.403 -0.288 4.872 4 HA ALA 1 HA ALA 1 -11.433 -0.960 2.773 5 HB1 ALA 1 2HB ALA 1 -9.469 0.458 2.813 6 HB2 ALA 1 3HB ALA 1 -9.416 0.386 4.566 7 HB3 ALA 1 1HB ALA 1 -10.759 1.201 3.762 8 H THR 2 H THR 2 -10.408 -2.592 1.777 9 HA THR 2 HA THR 2 -8.254 -3.918 3.274 10 HB THR 2 HB THR 2 -10.072 -5.037 1.127 11 HG1 THR 2 1HG THR 2 -10.033 -5.224 3.946 12 HG21 THR 2 3HG2 THR 2 -7.826 -6.042 1.101 13 HG22 THR 2 1HG2 THR 2 -9.018 -7.200 1.691 14 HG23 THR 2 2HG2 THR 2 -7.948 -6.376 2.825 15 H CYS 3 H CYS 3 -6.404 -3.179 2.513 16 HA CYS 3 HA CYS 3 -6.181 -2.757 -0.381 17 HB2 CYS 3 2HB CYS 3 -4.738 -1.167 1.771 18 HB3 CYS 3 1HB CYS 3 -4.720 -0.862 0.050 19 H TYR 4 H TYR 4 -3.907 -3.249 -1.124 20 HA TYR 4 HA TYR 4 -2.220 -4.496 0.777 21 HB2 TYR 4 2HB TYR 4 -2.114 -6.697 -0.408 22 HB3 TYR 4 1HB TYR 4 -3.630 -6.410 0.424 23 HD1 TYR 4 1HD TYR 4 -1.996 -6.811 -2.830 24 HD2 TYR 4 2HD TYR 4 -5.687 -6.105 -0.835 25 HE1 TYR 4 1HE TYR 4 -3.203 -7.352 -4.890 26 HE2 TYR 4 2HE TYR 4 -6.910 -6.647 -2.886 27 HH TYR 4 HH TYR 4 -6.465 -6.648 -5.347 28 H CYS 5 H CYS 5 -0.199 -4.996 -0.001 29 HA CYS 5 HA CYS 5 0.609 -3.127 -2.035 30 HB2 CYS 5 2HB CYS 5 2.384 -4.927 -0.332 31 HB3 CYS 5 1HB CYS 5 2.759 -3.403 -1.140 32 H ARG 6 H ARG 6 0.396 -3.962 -4.088 33 HA ARG 6 HA ARG 6 1.214 -6.739 -4.547 34 HB2 ARG 6 2HB ARG 6 0.295 -6.400 -6.900 35 HB3 ARG 6 1HB ARG 6 -0.879 -6.448 -5.599 36 HG2 ARG 6 2HG ARG 6 -1.360 -4.221 -5.770 37 HG3 ARG 6 1HG ARG 6 0.161 -3.831 -6.595 38 HD2 ARG 6 2HD ARG 6 -0.625 -4.840 -8.611 39 HD3 ARG 6 1HD ARG 6 -2.004 -5.553 -7.790 40 HE ARG 6 HE ARG 6 -2.730 -3.192 -7.449 41 HH11 ARG 6 1HH1 ARG 6 -0.660 -3.893 -10.281 42 HH12 ARG 6 2HH1 ARG 6 -1.537 -2.918 -11.331 43 HH21 ARG 6 1HH2 ARG 6 -3.973 -1.825 -9.043 44 HH22 ARG 6 2HH2 ARG 6 -3.408 -1.734 -10.639 45 H THR 7 H THR 7 2.799 -7.335 -5.933 46 HA THR 7 HA THR 7 4.851 -5.354 -6.334 47 HB THR 7 HB THR 7 6.184 -7.401 -6.956 48 HG1 THR 7 1HG THR 7 4.932 -9.014 -7.485 49 HG21 THR 7 3HG2 THR 7 4.731 -7.477 -4.309 50 HG22 THR 7 1HG2 THR 7 6.141 -6.487 -4.675 51 HG23 THR 7 2HG2 THR 7 6.282 -8.249 -4.660 52 H GLY 8 H GLY 8 2.260 -6.031 -8.083 53 HA2 GLY 8 2HA GLY 8 3.378 -5.313 -10.559 54 HA3 GLY 8 1HA GLY 8 2.962 -7.026 -10.518 55 H ARG 9 H ARG 9 0.837 -7.643 -10.428 56 HA ARG 9 HA ARG 9 -1.020 -5.431 -10.831 57 HB2 ARG 9 2HB ARG 9 -2.194 -6.726 -12.468 58 HB3 ARG 9 1HB ARG 9 -0.521 -6.523 -12.954 59 HG2 ARG 9 2HG ARG 9 -0.052 -8.806 -12.127 60 HG3 ARG 9 1HG ARG 9 -1.760 -8.969 -11.717 61 HD2 ARG 9 2HD ARG 9 -2.295 -8.538 -14.125 62 HD3 ARG 9 1HD ARG 9 -0.570 -8.593 -14.461 63 HE ARG 9 HE ARG 9 -1.610 -10.886 -13.088 64 HH11 ARG 9 1HH1 ARG 9 -0.721 -9.529 -16.243 65 HH12 ARG 9 2HH1 ARG 9 -0.908 -11.010 -17.073 66 HH21 ARG 9 1HH2 ARG 9 -1.827 -12.923 -14.271 67 HH22 ARG 9 2HH2 ARG 9 -1.540 -12.951 -15.952 68 H CYS 10 H CYS 10 -3.393 -6.199 -10.548 69 HA CYS 10 HA CYS 10 -3.691 -8.594 -9.084 70 HB2 CYS 10 2HB CYS 10 -5.282 -7.392 -7.497 71 HB3 CYS 10 1HB CYS 10 -3.625 -6.938 -7.210 72 H ALA 11 H ALA 11 -6.287 -8.868 -9.077 73 HA ALA 11 HA ALA 11 -6.779 -8.911 -11.871 74 HB1 ALA 11 1HB ALA 11 -7.572 -10.667 -10.363 75 HB2 ALA 11 2HB ALA 11 -8.892 -9.953 -11.287 76 HB3 ALA 11 3HB ALA 11 -8.667 -9.514 -9.594 77 H THR 12 H THR 12 -7.300 -6.621 -9.495 78 HA THR 12 HA THR 12 -9.069 -5.182 -11.281 79 HB THR 12 HB THR 12 -10.133 -5.548 -9.157 80 HG1 THR 12 1HG THR 12 -10.589 -3.589 -9.991 81 HG21 THR 12 3HG2 THR 12 -7.617 -4.363 -8.011 82 HG22 THR 12 1HG2 THR 12 -8.204 -5.982 -7.778 83 HG23 THR 12 2HG2 THR 12 -9.065 -4.624 -7.010 84 H ARG 13 H ARG 13 -7.485 -4.331 -12.590 85 HA ARG 13 HA ARG 13 -5.068 -3.098 -11.749 86 HB2 ARG 13 2HB ARG 13 -6.716 -2.499 -14.219 87 HB3 ARG 13 1HB ARG 13 -5.033 -2.069 -13.897 88 HG2 ARG 13 2HG ARG 13 -5.974 -4.898 -14.077 89 HG3 ARG 13 1HG ARG 13 -5.455 -3.976 -15.484 90 HD2 ARG 13 2HD ARG 13 -3.288 -3.566 -14.290 91 HD3 ARG 13 1HD ARG 13 -3.832 -4.703 -13.049 92 HE ARG 13 HE ARG 13 -4.159 -6.185 -15.153 93 HH11 ARG 13 1HH1 ARG 13 -1.401 -4.088 -14.406 94 HH12 ARG 13 2HH1 ARG 13 -0.297 -4.970 -15.339 95 HH21 ARG 13 1HH2 ARG 13 -2.608 -7.392 -16.458 96 HH22 ARG 13 2HH2 ARG 13 -0.987 -6.868 -16.523 97 H GLU 14 H GLU 14 -8.298 -2.004 -12.410 98 HA GLU 14 HA GLU 14 -8.209 0.740 -12.436 99 HB2 GLU 14 2HB GLU 14 -10.189 -0.598 -12.926 100 HB3 GLU 14 1HB GLU 14 -10.321 -1.037 -11.231 101 HG2 GLU 14 2HG GLU 14 -10.589 1.405 -10.723 102 HG3 GLU 14 1HG GLU 14 -10.706 1.676 -12.461 103 H SER 15 H SER 15 -8.195 -1.409 -9.653 104 HA SER 15 HA SER 15 -8.786 0.694 -7.819 105 HB2 SER 15 2HB SER 15 -8.033 -2.174 -7.352 106 HB3 SER 15 1HB SER 15 -8.618 -1.053 -6.118 107 HG SER 15 HG SER 15 -9.938 -2.329 -8.174 108 H LEU 16 H LEU 16 -6.141 0.668 -9.414 109 HA LEU 16 HA LEU 16 -4.163 0.519 -7.315 110 HB2 LEU 16 2HB LEU 16 -3.685 0.129 -9.812 111 HB3 LEU 16 1HB LEU 16 -3.965 1.822 -10.065 112 HG LEU 16 HG LEU 16 -1.610 0.660 -8.500 113 HD11 LEU 16 1HD1 LEU 16 -0.323 1.366 -10.382 114 HD12 LEU 16 2HD1 LEU 16 -1.783 1.904 -11.216 115 HD13 LEU 16 3HD1 LEU 16 -1.545 0.190 -10.863 116 HD21 LEU 16 3HD2 LEU 16 -0.727 2.938 -8.594 117 HD22 LEU 16 1HD2 LEU 16 -2.250 2.924 -7.701 118 HD23 LEU 16 2HD2 LEU 16 -2.205 3.501 -9.366 119 H SER 17 H SER 17 -4.006 1.910 -5.889 120 HA SER 17 HA SER 17 -5.195 4.570 -6.286 121 HB2 SER 17 2HB SER 17 -5.892 4.367 -3.900 122 HB3 SER 17 1HB SER 17 -6.651 3.224 -5.013 123 HG SER 17 HG SER 17 -5.708 2.460 -2.921 124 H GLY 18 H GLY 18 -2.359 2.996 -5.683 125 HA2 GLY 18 2HA GLY 18 -0.995 5.340 -5.039 126 HA3 GLY 18 1HA GLY 18 -1.200 4.360 -3.588 127 H VAL 19 H VAL 19 1.272 4.923 -4.672 128 HA VAL 19 HA VAL 19 2.133 2.221 -5.212 129 HB VAL 19 HB VAL 19 3.863 3.101 -6.823 130 HG11 VAL 19 1HG1 VAL 19 2.031 1.772 -7.594 131 HG12 VAL 19 2HG1 VAL 19 2.358 3.051 -8.769 132 HG13 VAL 19 3HG1 VAL 19 0.979 3.189 -7.659 133 HG21 VAL 19 3HG2 VAL 19 3.303 5.138 -8.085 134 HG22 VAL 19 1HG2 VAL 19 3.653 5.470 -6.384 135 HG23 VAL 19 2HG2 VAL 19 1.981 5.442 -6.953 136 H CYS 20 H CYS 20 4.132 1.756 -4.568 137 HA CYS 20 HA CYS 20 5.780 3.807 -3.394 138 HB2 CYS 20 2HB CYS 20 6.153 2.218 -1.413 139 HB3 CYS 20 1HB CYS 20 4.681 3.203 -1.346 140 H GLU 21 H GLU 21 7.741 3.511 -4.130 141 HA GLU 21 HA GLU 21 8.365 0.840 -5.054 142 HB2 GLU 21 2HB GLU 21 8.647 2.653 -6.678 143 HB3 GLU 21 1HB GLU 21 9.752 3.467 -5.621 144 HG2 GLU 21 2HG GLU 21 10.330 0.699 -6.647 145 HG3 GLU 21 1HG GLU 21 10.713 2.113 -7.606 146 H ILE 22 H ILE 22 9.611 -0.364 -4.065 147 HA ILE 22 HA ILE 22 11.244 0.663 -1.860 148 HB ILE 22 HB ILE 22 9.375 -1.721 -1.470 149 HG12 ILE 22 2HG1 ILE 22 8.907 1.145 -0.507 150 HG13 ILE 22 1HG1 ILE 22 8.078 0.378 -1.845 151 HG21 ILE 22 1HG2 ILE 22 9.897 -1.422 0.849 152 HG22 ILE 22 2HG2 ILE 22 10.943 -0.063 0.454 153 HG23 ILE 22 3HG2 ILE 22 11.363 -1.686 -0.102 154 HD11 ILE 22 3HD1 ILE 22 6.769 0.351 0.186 155 HD12 ILE 22 1HD1 ILE 22 8.053 -0.582 0.966 156 HD13 ILE 22 2HD1 ILE 22 7.171 -1.274 -0.399 157 H SER 23 H SER 23 13.102 -0.287 -1.877 158 HA SER 23 HA SER 23 14.918 -1.502 -2.473 159 HB2 SER 23 2HB SER 23 14.701 -3.994 -2.215 160 HB3 SER 23 1HB SER 23 14.032 -3.085 -0.866 161 HG SER 23 HG SER 23 12.102 -3.426 -2.620 162 H GLY 24 H GLY 24 13.389 -0.471 -4.772 163 HA2 GLY 24 2HA GLY 24 13.999 -0.515 -6.995 164 HA3 GLY 24 1HA GLY 24 14.758 -2.084 -6.753 165 H ARG 25 H ARG 25 11.666 -1.959 -5.450 166 HA ARG 25 HA ARG 25 10.530 -3.230 -7.818 167 HB2 ARG 25 2HB ARG 25 11.104 -4.808 -6.017 168 HB3 ARG 25 1HB ARG 25 10.127 -3.868 -4.904 169 HG2 ARG 25 2HG ARG 25 8.148 -4.372 -6.222 170 HG3 ARG 25 1HG ARG 25 9.196 -5.272 -7.334 171 HD2 ARG 25 2HD ARG 25 8.827 -5.896 -4.411 172 HD3 ARG 25 1HD ARG 25 8.026 -6.747 -5.730 173 HE ARG 25 HE ARG 25 10.553 -7.022 -6.420 174 HH11 ARG 25 1HH1 ARG 25 9.081 -7.402 -3.212 175 HH12 ARG 25 2HH1 ARG 25 10.058 -8.729 -2.771 176 HH21 ARG 25 1HH2 ARG 25 11.928 -8.859 -5.757 177 HH22 ARG 25 2HH2 ARG 25 11.695 -9.551 -4.228 178 H LEU 26 H LEU 26 8.437 -2.492 -8.352 179 HA LEU 26 HA LEU 26 7.595 -0.174 -6.830 180 HB2 LEU 26 2HB LEU 26 7.723 -0.591 -9.497 181 HB3 LEU 26 1HB LEU 26 6.073 -1.100 -9.186 182 HG LEU 26 HG LEU 26 5.763 1.095 -9.754 183 HD11 LEU 26 1HD1 LEU 26 4.664 0.767 -7.716 184 HD12 LEU 26 2HD1 LEU 26 5.257 2.429 -7.930 185 HD13 LEU 26 3HD1 LEU 26 6.100 1.344 -6.836 186 HD21 LEU 26 3HD2 LEU 26 7.245 2.955 -9.062 187 HD22 LEU 26 1HD2 LEU 26 8.043 1.732 -10.060 188 HD23 LEU 26 2HD2 LEU 26 8.310 1.742 -8.329 189 H TYR 27 H TYR 27 6.179 -0.530 -5.276 190 HA TYR 27 HA TYR 27 4.389 -2.789 -5.366 191 HB2 TYR 27 2HB TYR 27 5.346 -0.902 -3.273 192 HB3 TYR 27 1HB TYR 27 3.997 -1.911 -2.879 193 HD1 TYR 27 1HD TYR 27 4.388 -4.431 -2.891 194 HD2 TYR 27 2HD TYR 27 7.575 -1.638 -3.239 195 HE1 TYR 27 1HE TYR 27 5.990 -6.182 -2.250 196 HE2 TYR 27 2HE TYR 27 9.185 -3.407 -2.587 197 HH TYR 27 HH TYR 27 9.195 -5.481 -1.415 198 H ARG 28 H ARG 28 2.487 -2.474 -6.089 199 HA ARG 28 HA ARG 28 1.312 0.220 -6.184 200 HB2 ARG 28 2HB ARG 28 0.709 -2.328 -7.644 201 HB3 ARG 28 1HB ARG 28 -0.413 -0.976 -7.637 202 HG2 ARG 28 2HG ARG 28 1.060 0.367 -8.795 203 HG3 ARG 28 1HG ARG 28 2.430 -0.690 -8.502 204 HD2 ARG 28 2HD ARG 28 1.277 -2.427 -9.872 205 HD3 ARG 28 1HD ARG 28 -0.005 -1.335 -10.138 206 HE ARG 28 HE ARG 28 1.354 0.064 -11.448 207 HH11 ARG 28 1HH1 ARG 28 3.139 -2.780 -10.362 208 HH12 ARG 28 2HH1 ARG 28 4.193 -2.826 -11.692 209 HH21 ARG 28 1HH2 ARG 28 2.797 0.004 -13.303 210 HH22 ARG 28 2HH2 ARG 28 3.984 -1.216 -13.404 211 H LEU 29 H LEU 29 -0.625 0.606 -5.268 212 HA LEU 29 HA LEU 29 -1.508 -1.442 -3.383 213 HB2 LEU 29 2HB LEU 29 -2.106 1.507 -3.371 214 HB3 LEU 29 1HB LEU 29 -2.433 0.348 -2.108 215 HG LEU 29 HG LEU 29 0.302 1.249 -2.982 216 HD11 LEU 29 1HD1 LEU 29 0.445 2.162 -0.734 217 HD12 LEU 29 2HD1 LEU 29 -1.257 1.768 -0.478 218 HD13 LEU 29 3HD1 LEU 29 -0.791 2.940 -1.720 219 HD21 LEU 29 3HD2 LEU 29 0.401 -1.052 -2.332 220 HD22 LEU 29 1HD2 LEU 29 -0.507 -0.690 -0.841 221 HD23 LEU 29 2HD2 LEU 29 1.107 -0.007 -1.096 222 H CYS 30 H CYS 30 -3.216 -2.516 -4.156 223 HA CYS 30 HA CYS 30 -5.229 -0.830 -5.344 224 HB2 CYS 30 2HB CYS 30 -6.126 -2.923 -6.563 225 HB3 CYS 30 1HB CYS 30 -4.600 -2.263 -7.153 226 H CYS 31 H CYS 31 -6.959 -0.558 -4.313 227 HA CYS 31 HA CYS 31 -7.247 -2.265 -1.961 228 HB2 CYS 31 2HB CYS 31 -6.640 0.224 -1.701 229 HB3 CYS 31 1HB CYS 31 -8.276 0.524 -2.250 230 H ARG 32 H ARG 32 -9.204 -2.974 -1.342 231 HA ARG 32 HA ARG 32 -11.440 -2.694 -3.234 232 HB2 ARG 32 2HB ARG 32 -11.922 -5.098 -2.867 233 HB3 ARG 32 1HB ARG 32 -10.339 -4.856 -3.589 234 HG2 ARG 32 2HG ARG 32 -9.303 -5.130 -1.363 235 HG3 ARG 32 1HG ARG 32 -10.906 -5.431 -0.696 236 HD2 ARG 32 2HD ARG 32 -9.519 -7.108 -2.789 237 HD3 ARG 32 1HD ARG 32 -9.671 -7.456 -1.061 238 HE ARG 32 HE ARG 32 -12.224 -7.172 -1.774 239 HH11 ARG 32 1HH1 ARG 32 -9.676 -9.105 -3.367 240 HH12 ARG 32 2HH1 ARG 32 -10.728 -10.344 -3.845 241 HH21 ARG 32 1HH2 ARG 32 -13.657 -8.928 -2.439 242 HH22 ARG 32 2HH2 ARG 32 -13.039 -10.259 -3.287 243 H1 ALA 101 H ALA 101 -9.518 6.341 -6.161 244 HA ALA 101 HA ALA 101 -9.732 6.188 -3.251 245 HB1 ALA 101 1HB ALA 101 -8.685 4.035 -5.102 246 HB2 ALA 101 2HB ALA 101 -10.216 3.973 -4.234 247 HB3 ALA 101 3HB ALA 101 -8.694 3.957 -3.347 248 H THR 102 H THR 102 -7.886 6.663 -2.161 249 HA THR 102 HA THR 102 -5.393 6.795 -3.640 250 HB THR 102 HB THR 102 -6.484 9.023 -1.896 251 HG1 THR 102 1HG THR 102 -6.666 8.487 -4.486 252 HG21 THR 102 3HG2 THR 102 -3.816 8.791 -3.329 253 HG22 THR 102 1HG2 THR 102 -4.052 8.761 -1.579 254 HG23 THR 102 2HG2 THR 102 -4.398 10.228 -2.489 255 H CYS 103 H CYS 103 -4.122 5.471 -2.613 256 HA CYS 103 HA CYS 103 -4.250 5.351 0.323 257 HB2 CYS 103 2HB CYS 103 -3.621 3.007 -1.505 258 HB3 CYS 103 1HB CYS 103 -3.868 2.963 0.226 259 H TYR 104 H TYR 104 -1.997 4.454 1.143 260 HA TYR 104 HA TYR 104 0.142 4.690 -0.669 261 HB2 TYR 104 2HB TYR 104 1.291 6.564 0.558 262 HB3 TYR 104 1HB TYR 104 -0.076 7.052 -0.430 263 HD1 TYR 104 1HD TYR 104 1.085 6.466 3.026 264 HD2 TYR 104 2HD TYR 104 -1.937 8.128 0.544 265 HE1 TYR 104 1HE TYR 104 0.161 7.629 4.960 266 HE2 TYR 104 2HE TYR 104 -2.888 9.303 2.436 267 HH TYR 104 HH TYR 104 -2.900 9.089 4.906 268 H CYS 105 H CYS 105 2.187 4.221 0.284 269 HA CYS 105 HA CYS 105 1.802 2.282 2.386 270 HB2 CYS 105 2HB CYS 105 4.309 2.803 0.743 271 HB3 CYS 105 1HB CYS 105 3.861 1.379 1.687 272 H ARG 106 H ARG 106 1.891 3.249 4.333 273 HA ARG 106 HA ARG 106 3.811 5.388 4.803 274 HB2 ARG 106 2HB ARG 106 2.686 5.535 7.075 275 HB3 ARG 106 1HB ARG 106 1.704 5.968 5.682 276 HG2 ARG 106 2HG ARG 106 0.505 3.990 5.772 277 HG3 ARG 106 1HG ARG 106 1.655 3.233 6.885 278 HD2 ARG 106 2HD ARG 106 0.934 4.682 8.647 279 HD3 ARG 106 1HD ARG 106 -0.045 5.629 7.526 280 HE ARG 106 HE ARG 106 -1.322 3.524 7.185 281 HH11 ARG 106 1HH1 ARG 106 0.373 3.896 10.267 282 HH12 ARG 106 2HH1 ARG 106 -0.885 3.264 11.214 283 HH21 ARG 106 1HH2 ARG 106 -3.077 2.571 8.526 284 HH22 ARG 106 2HH2 ARG 106 -2.846 2.494 10.202 285 H THR 107 H THR 107 5.467 5.284 6.201 286 HA THR 107 HA THR 107 6.384 2.640 6.880 287 HB THR 107 HB THR 107 8.480 3.889 7.450 288 HG1 THR 107 1HG THR 107 8.125 5.895 7.851 289 HG21 THR 107 3HG2 THR 107 9.027 4.461 5.131 290 HG22 THR 107 1HG2 THR 107 7.307 4.485 4.733 291 HG23 THR 107 2HG2 THR 107 8.069 2.976 5.203 292 H GLY 108 H GLY 108 4.150 4.040 8.362 293 HA2 GLY 108 2HA GLY 108 4.686 3.225 10.929 294 HA3 GLY 108 1HA GLY 108 5.069 4.945 10.856 295 H ARG 109 H ARG 109 3.483 6.291 11.165 296 HA ARG 109 HA ARG 109 0.731 5.269 11.122 297 HB2 ARG 109 2HB ARG 109 0.209 7.123 12.653 298 HB3 ARG 109 1HB ARG 109 1.464 6.088 13.314 299 HG2 ARG 109 2HG ARG 109 3.145 7.703 12.579 300 HG3 ARG 109 1HG ARG 109 1.859 8.744 11.975 301 HD2 ARG 109 2HD ARG 109 0.951 8.937 14.246 302 HD3 ARG 109 1HD ARG 109 2.235 7.890 14.852 303 HE ARG 109 HE ARG 109 3.398 10.026 13.488 304 HH11 ARG 109 1HH1 ARG 109 1.625 9.442 16.475 305 HH12 ARG 109 2HH1 ARG 109 2.299 10.755 17.322 306 HH21 ARG 109 1HH2 ARG 109 4.321 11.824 14.602 307 HH22 ARG 109 2HH2 ARG 109 3.900 12.171 16.213 308 H CYS 110 H CYS 110 -0.881 7.165 10.665 309 HA CYS 110 HA CYS 110 0.228 9.214 9.017 310 HB2 CYS 110 2HB CYS 110 -1.715 8.922 7.371 311 HB3 CYS 110 1HB CYS 110 -0.511 7.668 7.256 312 H ALA 111 H ALA 111 -1.537 10.967 8.701 313 HA ALA 111 HA ALA 111 -2.147 11.621 11.393 314 HB1 ALA 111 1HB ALA 111 -1.324 13.261 9.781 315 HB2 ALA 111 2HB ALA 111 -2.834 13.762 10.536 316 HB3 ALA 111 3HB ALA 111 -2.839 13.134 8.886 317 H THR 112 H THR 112 -4.001 10.206 8.880 318 HA THR 112 HA THR 112 -6.496 10.974 10.007 319 HB THR 112 HB THR 112 -6.329 10.345 7.605 320 HG1 THR 112 1HG THR 112 -8.275 9.757 9.175 321 HG21 THR 112 3HG2 THR 112 -4.694 8.511 7.783 322 HG22 THR 112 1HG2 THR 112 -6.152 7.978 6.938 323 HG23 THR 112 2HG2 THR 112 -5.890 7.530 8.623 324 H ARG 113 H ARG 113 -4.252 8.318 10.454 325 HA ARG 113 HA ARG 113 -4.083 6.596 11.906 326 HB2 ARG 113 2HB ARG 113 -5.871 8.373 13.590 327 HB3 ARG 113 1HB ARG 113 -5.061 6.930 14.191 328 HG2 ARG 113 2HG ARG 113 -3.596 9.264 12.991 329 HG3 ARG 113 1HG ARG 113 -3.945 9.124 14.715 330 HD2 ARG 113 2HD ARG 113 -2.381 7.074 13.113 331 HD3 ARG 113 1HD ARG 113 -1.657 8.356 14.062 332 HE ARG 113 HE ARG 113 -3.321 7.129 15.810 333 HH11 ARG 113 1HH1 ARG 113 -0.794 5.816 13.726 334 HH12 ARG 113 2HH1 ARG 113 -0.168 4.747 14.895 335 HH21 ARG 113 1HH2 ARG 113 -2.484 5.624 17.420 336 HH22 ARG 113 2HH2 ARG 113 -1.166 4.623 17.022 337 H GLU 114 H GLU 114 -5.440 4.985 13.358 338 HA GLU 114 HA GLU 114 -7.091 3.477 13.652 339 HB2 GLU 114 2HB GLU 114 -8.607 5.342 13.902 340 HB3 GLU 114 1HB GLU 114 -8.762 5.487 12.160 341 HG2 GLU 114 2HG GLU 114 -9.867 3.302 12.115 342 HG3 GLU 114 1HG GLU 114 -9.744 3.221 13.875 343 H SER 115 H SER 115 -7.521 4.736 10.390 344 HA SER 115 HA SER 115 -8.332 2.221 9.338 345 HB2 SER 115 2HB SER 115 -7.655 4.799 7.960 346 HB3 SER 115 1HB SER 115 -8.495 3.421 7.239 347 HG SER 115 HG SER 115 -9.912 3.696 9.187 348 H LEU 116 H LEU 116 -6.616 0.903 9.926 349 HA LEU 116 HA LEU 116 -4.444 0.993 7.969 350 HB2 LEU 116 2HB LEU 116 -3.808 0.631 10.389 351 HB3 LEU 116 1HB LEU 116 -4.790 -0.807 10.422 352 HG LEU 116 HG LEU 116 -2.175 -0.490 8.863 353 HD11 LEU 116 1HD1 LEU 116 -1.890 -0.448 11.251 354 HD12 LEU 116 2HD1 LEU 116 -1.290 -1.947 10.537 355 HD13 LEU 116 3HD1 LEU 116 -2.832 -1.932 11.399 356 HD21 LEU 116 3HD2 LEU 116 -3.956 -2.880 9.388 357 HD22 LEU 116 1HD2 LEU 116 -2.381 -2.938 8.604 358 HD23 LEU 116 2HD2 LEU 116 -3.720 -2.113 7.821 359 H SER 117 H SER 117 -4.749 -0.028 6.217 360 HA SER 117 HA SER 117 -7.026 -1.868 6.071 361 HB2 SER 117 2HB SER 117 -6.857 -1.288 3.612 362 HB3 SER 117 1HB SER 117 -7.423 -0.040 4.722 363 HG SER 117 HG SER 117 -5.849 1.097 4.190 364 H GLY 118 H GLY 118 -3.637 -1.799 5.793 365 HA2 GLY 118 2HA GLY 118 -3.493 -4.554 5.417 366 HA3 GLY 118 1HA GLY 118 -3.157 -3.735 3.892 367 H VAL 119 H VAL 119 -1.263 -5.245 5.148 368 HA VAL 119 HA VAL 119 0.720 -3.187 5.648 369 HB VAL 119 HB VAL 119 1.853 -4.713 7.333 370 HG11 VAL 119 1HG1 VAL 119 0.487 -3.889 9.232 371 HG12 VAL 119 2HG1 VAL 119 -0.721 -3.361 8.035 372 HG13 VAL 119 3HG1 VAL 119 0.895 -2.665 8.032 373 HG21 VAL 119 3HG2 VAL 119 -0.907 -5.893 7.496 374 HG22 VAL 119 1HG2 VAL 119 0.403 -6.197 8.641 375 HG23 VAL 119 2HG2 VAL 119 0.560 -6.720 6.960 376 H CYS 120 H CYS 120 2.747 -3.683 5.131 377 HA CYS 120 HA CYS 120 3.392 -6.291 4.115 378 HB2 CYS 120 2HB CYS 120 4.475 -5.138 2.070 379 HB3 CYS 120 1HB CYS 120 2.731 -5.432 1.967 380 H GLU 121 H GLU 121 5.242 -6.817 5.094 381 HA GLU 121 HA GLU 121 6.917 -4.585 5.868 382 HB2 GLU 121 2HB GLU 121 6.268 -6.112 7.657 383 HB3 GLU 121 1HB GLU 121 6.923 -7.464 6.800 384 HG2 GLU 121 2HG GLU 121 8.677 -5.159 7.617 385 HG3 GLU 121 1HG GLU 121 8.312 -6.440 8.748 386 H ILE 122 H ILE 122 8.616 -4.178 4.912 387 HA ILE 122 HA ILE 122 9.681 -6.092 2.970 388 HB ILE 122 HB ILE 122 9.151 -3.179 2.201 389 HG12 ILE 122 2HG1 ILE 122 7.459 -5.606 1.449 390 HG13 ILE 122 1HG1 ILE 122 7.012 -4.413 2.665 391 HG21 ILE 122 1HG2 ILE 122 10.940 -4.289 1.022 392 HG22 ILE 122 2HG2 ILE 122 9.558 -3.993 -0.033 393 HG23 ILE 122 3HG2 ILE 122 9.857 -5.612 0.594 394 HD11 ILE 122 3HD1 ILE 122 7.542 -3.848 -0.199 395 HD12 ILE 122 1HD1 ILE 122 6.983 -2.711 1.025 396 HD13 ILE 122 2HD1 ILE 122 5.939 -4.059 0.532 397 H SER 123 H SER 123 11.752 -6.106 3.080 398 HA SER 123 HA SER 123 13.899 -5.778 3.718 399 HB2 SER 123 2HB SER 123 14.836 -3.478 3.211 400 HB3 SER 123 1HB SER 123 13.930 -4.208 1.892 401 HG SER 123 HG SER 123 12.268 -2.808 3.427 402 H GLY 124 H GLY 124 11.962 -5.669 5.947 403 HA2 GLY 124 2HA GLY 124 12.540 -5.707 8.188 404 HA3 GLY 124 1HA GLY 124 13.867 -4.603 7.865 405 H ARG 125 H ARG 125 11.243 -3.370 6.309 406 HA ARG 125 HA ARG 125 10.581 -1.688 8.597 407 HB2 ARG 125 2HB ARG 125 11.867 -0.584 6.789 408 HB3 ARG 125 1HB ARG 125 10.613 -1.041 5.654 409 HG2 ARG 125 2HG ARG 125 9.005 0.313 6.852 410 HG3 ARG 125 1HG ARG 125 10.276 0.707 8.024 411 HD2 ARG 125 2HD ARG 125 10.389 1.340 5.083 412 HD3 ARG 125 1HD ARG 125 9.910 2.487 6.329 413 HE ARG 125 HE ARG 125 12.260 1.792 7.241 414 HH11 ARG 125 1HH1 ARG 125 11.424 2.321 3.825 415 HH12 ARG 125 2HH1 ARG 125 12.876 3.100 3.443 416 HH21 ARG 125 1HH2 ARG 125 14.279 2.869 6.700 417 HH22 ARG 125 2HH2 ARG 125 14.557 3.392 5.110 418 H LEU 126 H LEU 126 8.366 -1.355 8.965 419 HA LEU 126 HA LEU 126 6.649 -3.231 7.564 420 HB2 LEU 126 2HB LEU 126 6.838 -2.676 10.188 421 HB3 LEU 126 1HB LEU 126 5.654 -1.471 9.729 422 HG LEU 126 HG LEU 126 4.284 -3.179 10.393 423 HD11 LEU 126 1HD1 LEU 126 3.228 -4.234 8.633 424 HD12 LEU 126 2HD1 LEU 126 4.560 -3.842 7.554 425 HD13 LEU 126 3HD1 LEU 126 3.579 -2.534 8.272 426 HD21 LEU 126 3HD2 LEU 126 4.703 -5.581 9.930 427 HD22 LEU 126 1HD2 LEU 126 5.940 -4.809 10.929 428 HD23 LEU 126 2HD2 LEU 126 6.265 -5.093 9.238 429 H TYR 127 H TYR 127 5.642 -2.427 5.838 430 HA TYR 127 HA TYR 127 4.979 0.371 5.703 431 HB2 TYR 127 2HB TYR 127 5.128 -1.878 3.756 432 HB3 TYR 127 1HB TYR 127 4.415 -0.396 3.213 433 HD1 TYR 127 1HD TYR 127 5.913 1.715 3.387 434 HD2 TYR 127 2HD TYR 127 7.433 -2.241 3.775 435 HE1 TYR 127 1HE TYR 127 8.177 2.542 2.925 436 HE2 TYR 127 2HE TYR 127 9.711 -1.407 3.296 437 HH TYR 127 HH TYR 127 10.838 0.504 2.272 438 H ARG 128 H ARG 128 3.133 0.894 6.508 439 HA ARG 128 HA ARG 128 0.880 -0.986 6.531 440 HB2 ARG 128 2HB ARG 128 1.390 1.606 7.927 441 HB3 ARG 128 1HB ARG 128 -0.225 0.939 7.824 442 HG2 ARG 128 2HG ARG 128 0.376 -0.928 9.064 443 HG3 ARG 128 1HG ARG 128 2.087 -0.573 9.003 444 HD2 ARG 128 2HD ARG 128 1.535 1.581 10.220 445 HD3 ARG 128 1HD ARG 128 -0.073 1.018 10.369 446 HE ARG 128 HE ARG 128 0.609 -0.738 11.794 447 HH11 ARG 128 1HH1 ARG 128 3.287 1.361 10.900 448 HH12 ARG 128 2HH1 ARG 128 4.198 1.038 12.311 449 HH21 ARG 128 1HH2 ARG 128 1.840 -1.177 13.705 450 HH22 ARG 128 2HH2 ARG 128 3.367 -0.447 13.947 451 H LEU 129 H LEU 129 -1.079 -0.409 5.698 452 HA LEU 129 HA LEU 129 -0.918 1.725 3.721 453 HB2 LEU 129 2HB LEU 129 -2.745 -0.680 3.742 454 HB3 LEU 129 1HB LEU 129 -2.510 0.470 2.436 455 HG LEU 129 HG LEU 129 -0.491 -1.543 3.420 456 HD11 LEU 129 1HD1 LEU 129 -0.708 -2.500 1.193 457 HD12 LEU 129 2HD1 LEU 129 -2.042 -1.389 0.866 458 HD13 LEU 129 3HD1 LEU 129 -2.194 -2.604 2.139 459 HD21 LEU 129 3HD2 LEU 129 0.655 0.454 2.711 460 HD22 LEU 129 1HD2 LEU 129 -0.285 0.445 1.195 461 HD23 LEU 129 2HD2 LEU 129 0.849 -0.870 1.554 462 H CYS 130 H CYS 130 -2.095 3.448 4.247 463 HA CYS 130 HA CYS 130 -4.673 2.938 5.457 464 HB2 CYS 130 2HB CYS 130 -4.536 5.158 6.707 465 HB3 CYS 130 1HB CYS 130 -3.355 3.978 7.258 466 H CYS 131 H CYS 131 -6.301 3.892 4.412 467 HA CYS 131 HA CYS 131 -5.366 5.257 2.000 468 HB2 CYS 131 2HB CYS 131 -6.286 2.899 1.789 469 HB3 CYS 131 1HB CYS 131 -7.855 3.570 2.212 470 H ARG 132 H ARG 132 -7.063 6.680 0.978 471 HA ARG 132 HA ARG 132 -8.763 7.878 2.992 472 HB2 ARG 132 2HB ARG 132 -8.077 10.137 2.256 473 HB3 ARG 132 1HB ARG 132 -6.743 9.238 2.950 474 HG2 ARG 132 2HG ARG 132 -6.005 8.708 0.621 475 HG3 ARG 132 1HG ARG 132 -7.256 9.812 0.048 476 HD2 ARG 132 2HD ARG 132 -4.939 10.502 1.849 477 HD3 ARG 132 1HD ARG 132 -5.118 10.928 0.149 478 HE ARG 132 HE ARG 132 -7.324 11.921 1.488 479 HH11 ARG 132 1HH1 ARG 132 -3.836 12.454 1.376 480 HH12 ARG 132 2HH1 ARG 132 -3.911 14.073 1.886 481 HH21 ARG 132 1HH2 ARG 132 -7.450 14.162 2.191 482 HH22 ARG 132 2HH2 ARG 132 -6.014 15.062 2.362 Start of MODEL 8 1 H1 ALA 1 1HT ALA 1 -11.868 -0.217 5.649 2 H2 ALA 1 2HT ALA 1 -10.362 -0.828 6.190 3 H3 ALA 1 3HT ALA 1 -11.589 -1.876 5.763 4 HA ALA 1 HA ALA 1 -11.471 -1.274 3.490 5 HB1 ALA 1 2HB ALA 1 -9.659 0.263 2.747 6 HB2 ALA 1 3HB ALA 1 -9.278 0.586 4.426 7 HB3 ALA 1 1HB ALA 1 -10.836 1.078 3.785 8 H THR 2 H THR 2 -10.067 -2.574 2.172 9 HA THR 2 HA THR 2 -7.829 -3.740 3.668 10 HB THR 2 HB THR 2 -9.713 -5.231 1.820 11 HG1 THR 2 1HG THR 2 -9.625 -4.824 4.568 12 HG21 THR 2 3HG2 THR 2 -7.417 -6.227 3.532 13 HG22 THR 2 1HG2 THR 2 -7.408 -6.098 1.770 14 HG23 THR 2 2HG2 THR 2 -8.499 -7.230 2.566 15 H CYS 3 H CYS 3 -6.079 -3.105 2.683 16 HA CYS 3 HA CYS 3 -6.022 -2.996 -0.249 17 HB2 CYS 3 2HB CYS 3 -4.416 -1.277 1.666 18 HB3 CYS 3 1HB CYS 3 -4.460 -1.143 -0.077 19 H TYR 4 H TYR 4 -3.621 -3.285 -0.973 20 HA TYR 4 HA TYR 4 -1.972 -4.669 0.849 21 HB2 TYR 4 2HB TYR 4 -1.906 -6.776 -0.620 22 HB3 TYR 4 1HB TYR 4 -3.284 -6.589 0.452 23 HD1 TYR 4 2HD TYR 4 -5.501 -6.087 -0.472 24 HD2 TYR 4 1HD TYR 4 -2.166 -6.755 -3.025 25 HE1 TYR 4 2HE TYR 4 -7.027 -6.423 -2.350 26 HE2 TYR 4 1HE TYR 4 -3.712 -7.099 -4.923 27 HH TYR 4 HH TYR 4 -6.955 -6.267 -4.816 28 H CYS 5 H CYS 5 0.100 -4.959 0.138 29 HA CYS 5 HA CYS 5 0.789 -3.067 -1.955 30 HB2 CYS 5 2HB CYS 5 2.685 -4.504 -0.082 31 HB3 CYS 5 1HB CYS 5 2.907 -3.015 -0.999 32 H ARG 6 H ARG 6 0.917 -4.081 -3.954 33 HA ARG 6 HA ARG 6 2.394 -6.600 -3.967 34 HB2 ARG 6 2HB ARG 6 1.018 -7.466 -5.751 35 HB3 ARG 6 1HB ARG 6 0.056 -7.124 -4.336 36 HG2 ARG 6 2HG ARG 6 -0.787 -5.077 -5.432 37 HG3 ARG 6 1HG ARG 6 0.204 -5.459 -6.843 38 HD2 ARG 6 2HD ARG 6 -1.923 -7.173 -5.652 39 HD3 ARG 6 1HD ARG 6 -2.058 -6.234 -7.160 40 HE ARG 6 HE ARG 6 0.073 -7.818 -7.596 41 HH11 ARG 6 1HH1 ARG 6 -3.165 -8.611 -6.423 42 HH12 ARG 6 2HH1 ARG 6 -3.174 -10.157 -7.114 43 HH21 ARG 6 1HH2 ARG 6 0.078 -9.919 -8.506 44 HH22 ARG 6 2HH2 ARG 6 -1.275 -10.935 -8.343 45 H THR 7 H THR 7 3.376 -7.109 -6.072 46 HA THR 7 HA THR 7 4.543 -4.625 -7.028 47 HB THR 7 HB THR 7 6.316 -6.171 -7.905 48 HG1 THR 7 1HG THR 7 6.282 -8.257 -7.115 49 HG21 THR 7 3HG2 THR 7 6.546 -4.898 -5.841 50 HG22 THR 7 1HG2 THR 7 7.291 -6.487 -5.685 51 HG23 THR 7 2HG2 THR 7 5.716 -6.176 -4.954 52 H GLY 8 H GLY 8 2.071 -6.323 -7.953 53 HA2 GLY 8 2HA GLY 8 2.639 -5.773 -10.748 54 HA3 GLY 8 1HA GLY 8 2.038 -7.373 -10.315 55 H ARG 9 H ARG 9 0.283 -6.947 -11.638 56 HA ARG 9 HA ARG 9 -1.596 -4.950 -10.673 57 HB2 ARG 9 2HB ARG 9 -2.859 -5.477 -12.745 58 HB3 ARG 9 1HB ARG 9 -1.248 -4.849 -13.028 59 HG2 ARG 9 2HG ARG 9 -0.471 -7.154 -13.427 60 HG3 ARG 9 1HG ARG 9 -2.138 -7.709 -13.238 61 HD2 ARG 9 2HD ARG 9 -2.836 -6.294 -15.107 62 HD3 ARG 9 1HD ARG 9 -1.192 -5.695 -15.281 63 HE ARG 9 HE ARG 9 -1.347 -8.528 -15.501 64 HH11 ARG 9 1HH1 ARG 9 -1.790 -5.507 -17.290 65 HH12 ARG 9 2HH1 ARG 9 -1.571 -6.191 -18.823 66 HH21 ARG 9 1HH2 ARG 9 -1.033 -9.485 -17.632 67 HH22 ARG 9 2HH2 ARG 9 -1.126 -8.507 -19.024 68 H CYS 10 H CYS 10 -3.949 -5.701 -10.637 69 HA CYS 10 HA CYS 10 -3.976 -8.378 -9.499 70 HB2 CYS 10 2HB CYS 10 -5.662 -7.439 -7.782 71 HB3 CYS 10 1HB CYS 10 -3.980 -7.028 -7.523 72 H ALA 11 H ALA 11 -5.950 -9.500 -9.590 73 HA ALA 11 HA ALA 11 -7.124 -9.062 -12.130 74 HB1 ALA 11 1HB ALA 11 -8.317 -11.145 -11.779 75 HB2 ALA 11 2HB ALA 11 -7.855 -11.139 -10.076 76 HB3 ALA 11 3HB ALA 11 -6.623 -11.318 -11.326 77 H THR 12 H THR 12 -8.009 -7.167 -11.888 78 HA THR 12 HA THR 12 -10.709 -6.958 -11.699 79 HB THR 12 HB THR 12 -10.574 -7.215 -9.244 80 HG1 THR 12 1HG THR 12 -12.147 -5.821 -9.723 81 HG21 THR 12 3HG2 THR 12 -8.253 -6.484 -8.857 82 HG22 THR 12 1HG2 THR 12 -9.366 -5.602 -7.808 83 HG23 THR 12 2HG2 THR 12 -8.702 -4.826 -9.248 84 H ARG 13 H ARG 13 -7.569 -5.456 -11.178 85 HA ARG 13 HA ARG 13 -6.574 -3.562 -11.853 86 HB2 ARG 13 2HB ARG 13 -8.529 -3.816 -14.157 87 HB3 ARG 13 1HB ARG 13 -7.117 -2.746 -14.096 88 HG2 ARG 13 2HG ARG 13 -6.913 -5.729 -13.837 89 HG3 ARG 13 1HG ARG 13 -6.797 -4.880 -15.380 90 HD2 ARG 13 2HD ARG 13 -5.001 -4.376 -12.987 91 HD3 ARG 13 1HD ARG 13 -4.588 -5.353 -14.382 92 HE ARG 13 HE ARG 13 -5.256 -3.119 -15.589 93 HH11 ARG 13 1HH1 ARG 13 -3.236 -3.457 -12.697 94 HH12 ARG 13 2HH1 ARG 13 -2.211 -2.164 -13.136 95 HH21 ARG 13 1HH2 ARG 13 -3.890 -1.365 -16.121 96 HH22 ARG 13 2HH2 ARG 13 -2.604 -0.938 -15.107 97 H GLU 14 H GLU 14 -7.194 -1.141 -12.807 98 HA GLU 14 HA GLU 14 -8.201 0.873 -12.456 99 HB2 GLU 14 2HB GLU 14 -10.262 -0.216 -13.144 100 HB3 GLU 14 1HB GLU 14 -10.515 -0.831 -11.527 101 HG2 GLU 14 2HG GLU 14 -10.748 1.518 -10.745 102 HG3 GLU 14 1HG GLU 14 -10.647 2.032 -12.432 103 H SER 15 H SER 15 -8.072 -1.371 -9.921 104 HA SER 15 HA SER 15 -8.726 0.351 -7.767 105 HB2 SER 15 2HB SER 15 -9.288 -2.003 -7.799 106 HB3 SER 15 1HB SER 15 -7.590 -2.437 -7.867 107 HG SER 15 HG SER 15 -8.906 -1.044 -5.796 108 H LEU 16 H LEU 16 -6.011 0.493 -9.586 109 HA LEU 16 HA LEU 16 -4.091 0.470 -7.427 110 HB2 LEU 16 2HB LEU 16 -3.471 -0.072 -9.846 111 HB3 LEU 16 1HB LEU 16 -3.738 1.610 -10.230 112 HG LEU 16 HG LEU 16 -1.482 0.489 -8.504 113 HD11 LEU 16 1HD1 LEU 16 -1.488 1.724 -11.224 114 HD12 LEU 16 2HD1 LEU 16 -1.266 0.017 -10.839 115 HD13 LEU 16 3HD1 LEU 16 -0.075 1.204 -10.304 116 HD21 LEU 16 3HD2 LEU 16 -0.579 2.738 -8.514 117 HD22 LEU 16 1HD2 LEU 16 -2.160 2.750 -7.737 118 HD23 LEU 16 2HD2 LEU 16 -1.983 3.339 -9.391 119 H SER 17 H SER 17 -3.962 1.926 -6.093 120 HA SER 17 HA SER 17 -5.295 4.523 -6.541 121 HB2 SER 17 2HB SER 17 -5.592 4.419 -4.073 122 HB3 SER 17 1HB SER 17 -6.426 3.151 -4.979 123 HG SER 17 HG SER 17 -5.005 1.691 -4.314 124 H GLY 18 H GLY 18 -2.322 2.980 -5.709 125 HA2 GLY 18 2HA GLY 18 -0.919 5.403 -5.697 126 HA3 GLY 18 1HA GLY 18 -1.110 4.774 -4.059 127 H VAL 19 H VAL 19 1.355 5.003 -5.183 128 HA VAL 19 HA VAL 19 2.116 2.200 -5.312 129 HB VAL 19 HB VAL 19 3.933 2.724 -6.922 130 HG11 VAL 19 1HG1 VAL 19 1.921 1.621 -7.715 131 HG12 VAL 19 2HG1 VAL 19 2.599 2.680 -8.941 132 HG13 VAL 19 3HG1 VAL 19 1.180 3.202 -8.013 133 HG21 VAL 19 3HG2 VAL 19 3.770 4.721 -8.342 134 HG22 VAL 19 1HG2 VAL 19 4.061 5.129 -6.650 135 HG23 VAL 19 2HG2 VAL 19 2.444 5.309 -7.337 136 H CYS 20 H CYS 20 4.221 1.798 -4.707 137 HA CYS 20 HA CYS 20 5.782 3.935 -3.589 138 HB2 CYS 20 2HB CYS 20 6.207 2.472 -1.518 139 HB3 CYS 20 1HB CYS 20 4.712 3.418 -1.473 140 H GLU 21 H GLU 21 7.787 3.664 -4.234 141 HA GLU 21 HA GLU 21 8.475 0.969 -5.007 142 HB2 GLU 21 2HB GLU 21 8.770 2.646 -6.746 143 HB3 GLU 21 1HB GLU 21 9.800 3.593 -5.723 144 HG2 GLU 21 2HG GLU 21 10.545 0.776 -6.459 145 HG3 GLU 21 1HG GLU 21 10.866 2.090 -7.568 146 H ILE 22 H ILE 22 9.675 -0.156 -3.917 147 HA ILE 22 HA ILE 22 11.287 1.029 -1.781 148 HB ILE 22 HB ILE 22 9.490 -1.406 -1.303 149 HG12 ILE 22 2HG1 ILE 22 8.964 1.487 -0.439 150 HG13 ILE 22 1HG1 ILE 22 8.127 0.635 -1.723 151 HG21 ILE 22 1HG2 ILE 22 10.033 -1.037 0.996 152 HG22 ILE 22 2HG2 ILE 22 11.062 0.325 0.554 153 HG23 ILE 22 3HG2 ILE 22 11.484 -1.305 0.029 154 HD11 ILE 22 3HD1 ILE 22 6.873 0.689 0.339 155 HD12 ILE 22 1HD1 ILE 22 8.188 -0.193 1.128 156 HD13 ILE 22 2HD1 ILE 22 7.287 -0.954 -0.185 157 H SER 23 H SER 23 13.189 0.145 -1.759 158 HA SER 23 HA SER 23 15.041 -1.020 -2.307 159 HB2 SER 23 2HB SER 23 14.917 -3.510 -2.066 160 HB3 SER 23 1HB SER 23 14.118 -2.663 -0.750 161 HG SER 23 HG SER 23 12.270 -3.046 -2.533 162 H GLY 24 H GLY 24 13.481 -0.007 -4.612 163 HA2 GLY 24 2HA GLY 24 13.978 0.002 -6.843 164 HA3 GLY 24 1HA GLY 24 14.922 -1.468 -6.615 165 H ARG 25 H ARG 25 11.863 -1.693 -5.259 166 HA ARG 25 HA ARG 25 10.888 -3.219 -7.556 167 HB2 ARG 25 2HB ARG 25 11.751 -4.425 -5.456 168 HB3 ARG 25 1HB ARG 25 10.384 -3.715 -4.624 169 HG2 ARG 25 2HG ARG 25 8.873 -4.882 -6.134 170 HG3 ARG 25 1HG ARG 25 10.291 -5.563 -6.954 171 HD2 ARG 25 2HD ARG 25 10.998 -6.582 -4.805 172 HD3 ARG 25 1HD ARG 25 9.510 -5.991 -4.069 173 HE ARG 25 HE ARG 25 9.391 -7.769 -6.386 174 HH11 ARG 25 1HH1 ARG 25 8.653 -7.212 -2.928 175 HH12 ARG 25 2HH1 ARG 25 7.749 -8.631 -2.771 176 HH21 ARG 25 1HH2 ARG 25 8.183 -9.701 -6.137 177 HH22 ARG 25 2HH2 ARG 25 7.462 -10.093 -4.632 178 H LEU 26 H LEU 26 8.702 -2.670 -8.113 179 HA LEU 26 HA LEU 26 7.769 -0.272 -6.769 180 HB2 LEU 26 2HB LEU 26 7.896 -0.925 -9.429 181 HB3 LEU 26 1HB LEU 26 6.243 -1.356 -9.031 182 HG LEU 26 HG LEU 26 6.020 0.791 -9.805 183 HD11 LEU 26 1HD1 LEU 26 5.416 2.219 -8.076 184 HD12 LEU 26 2HD1 LEU 26 6.260 1.216 -6.907 185 HD13 LEU 26 3HD1 LEU 26 4.854 0.558 -7.797 186 HD21 LEU 26 3HD2 LEU 26 7.498 2.678 -9.173 187 HD22 LEU 26 1HD2 LEU 26 8.332 1.386 -10.044 188 HD23 LEU 26 2HD2 LEU 26 8.512 1.515 -8.307 189 H TYR 27 H TYR 27 6.232 -0.424 -5.311 190 HA TYR 27 HA TYR 27 4.515 -2.748 -5.261 191 HB2 TYR 27 2HB TYR 27 5.442 -0.763 -3.254 192 HB3 TYR 27 1HB TYR 27 4.115 -1.770 -2.799 193 HD1 TYR 27 1HD TYR 27 4.567 -4.346 -2.947 194 HD2 TYR 27 2HD TYR 27 7.653 -1.420 -3.024 195 HE1 TYR 27 1HE TYR 27 6.211 -6.066 -2.323 196 HE2 TYR 27 2HE TYR 27 9.302 -3.148 -2.385 197 HH TYR 27 HH TYR 27 9.341 -5.333 -1.293 198 H ARG 28 H ARG 28 2.633 -2.491 -6.090 199 HA ARG 28 HA ARG 28 1.353 0.133 -6.350 200 HB2 ARG 28 2HB ARG 28 0.714 -2.575 -7.467 201 HB3 ARG 28 1HB ARG 28 -0.372 -1.205 -7.599 202 HG2 ARG 28 2HG ARG 28 1.128 -0.051 -8.979 203 HG3 ARG 28 1HG ARG 28 2.425 -1.198 -8.682 204 HD2 ARG 28 2HD ARG 28 1.008 -2.961 -9.672 205 HD3 ARG 28 1HD ARG 28 -0.196 -1.755 -10.046 206 HE ARG 28 HE ARG 28 1.092 -0.949 -11.754 207 HH11 ARG 28 1HH1 ARG 28 3.033 -3.254 -9.906 208 HH12 ARG 28 2HH1 ARG 28 4.032 -3.707 -11.208 209 HH21 ARG 28 1HH2 ARG 28 2.523 -1.545 -13.575 210 HH22 ARG 28 2HH2 ARG 28 3.736 -2.711 -13.318 211 H LEU 29 H LEU 29 -0.524 0.558 -5.354 212 HA LEU 29 HA LEU 29 -1.340 -1.375 -3.330 213 HB2 LEU 29 2HB LEU 29 -1.869 1.580 -3.505 214 HB3 LEU 29 1HB LEU 29 -2.219 0.531 -2.146 215 HG LEU 29 HG LEU 29 0.527 1.252 -3.157 216 HD11 LEU 29 1HD1 LEU 29 -0.965 2.090 -0.695 217 HD12 LEU 29 2HD1 LEU 29 -0.438 3.119 -2.041 218 HD13 LEU 29 3HD1 LEU 29 0.749 2.345 -0.983 219 HD21 LEU 29 3HD2 LEU 29 -0.290 -0.387 -0.788 220 HD22 LEU 29 1HD2 LEU 29 1.338 0.146 -1.199 221 HD23 LEU 29 2HD2 LEU 29 0.507 -0.986 -2.273 222 H CYS 30 H CYS 30 -2.965 -2.564 -4.222 223 HA CYS 30 HA CYS 30 -5.131 -0.928 -5.152 224 HB2 CYS 30 2HB CYS 30 -6.005 -2.850 -6.591 225 HB3 CYS 30 1HB CYS 30 -4.431 -2.232 -7.074 226 H CYS 31 H CYS 31 -7.287 -1.498 -4.516 227 HA CYS 31 HA CYS 31 -7.120 -2.776 -1.887 228 HB2 CYS 31 2HB CYS 31 -6.453 -0.321 -1.804 229 HB3 CYS 31 1HB CYS 31 -8.097 0.026 -2.295 230 H ARG 32 H ARG 32 -9.223 -2.897 -0.832 231 HA ARG 32 HA ARG 32 -11.562 -2.697 -2.572 232 HB2 ARG 32 2HB ARG 32 -12.328 -4.912 -1.775 233 HB3 ARG 32 1HB ARG 32 -10.849 -5.028 -2.721 234 HG2 ARG 32 2HG ARG 32 -9.549 -5.184 -0.649 235 HG3 ARG 32 1HG ARG 32 -11.047 -5.085 0.276 236 HD2 ARG 32 2HD ARG 32 -10.365 -7.218 -1.722 237 HD3 ARG 32 1HD ARG 32 -10.223 -7.374 0.034 238 HE ARG 32 HE ARG 32 -12.778 -6.677 -0.271 239 HH11 ARG 32 1HH1 ARG 32 -10.824 -9.177 -1.869 240 HH12 ARG 32 2HH1 ARG 32 -12.122 -10.251 -2.081 241 HH21 ARG 32 1HH2 ARG 32 -14.573 -8.199 -0.558 242 HH22 ARG 32 2HH2 ARG 32 -14.291 -9.689 -1.314 243 H1 ALA 101 H ALA 101 -9.690 6.431 -5.666 244 HA ALA 101 HA ALA 101 -9.719 5.686 -2.983 245 HB1 ALA 101 1HB ALA 101 -10.127 3.428 -3.875 246 HB2 ALA 101 2HB ALA 101 -8.535 3.537 -3.124 247 HB3 ALA 101 3HB ALA 101 -8.681 3.561 -4.871 248 H THR 102 H THR 102 -7.949 6.585 -2.132 249 HA THR 102 HA THR 102 -5.506 6.617 -3.743 250 HB THR 102 HB THR 102 -6.388 8.895 -1.939 251 HG1 THR 102 1HG THR 102 -7.139 8.407 -4.359 252 HG21 THR 102 3HG2 THR 102 -3.960 8.598 -3.725 253 HG22 THR 102 1HG2 THR 102 -3.954 8.575 -1.959 254 HG23 THR 102 2HG2 THR 102 -4.402 10.047 -2.820 255 H CYS 103 H CYS 103 -4.162 5.289 -2.764 256 HA CYS 103 HA CYS 103 -4.203 5.131 0.168 257 HB2 CYS 103 2HB CYS 103 -3.448 2.944 -1.798 258 HB3 CYS 103 1HB CYS 103 -3.569 2.790 -0.060 259 H TYR 104 H TYR 104 -1.982 4.603 1.036 260 HA TYR 104 HA TYR 104 0.208 4.802 -0.729 261 HB2 TYR 104 2HB TYR 104 1.227 6.840 0.370 262 HB3 TYR 104 1HB TYR 104 -0.157 7.168 -0.658 263 HD1 TYR 104 2HD TYR 104 -2.308 7.786 0.338 264 HD2 TYR 104 1HD TYR 104 1.176 7.279 2.715 265 HE1 TYR 104 2HE TYR 104 -3.396 8.990 2.157 266 HE2 TYR 104 1HE TYR 104 0.098 8.485 4.555 267 HH TYR 104 HH TYR 104 -3.198 9.090 4.612 268 H CYS 105 H CYS 105 2.165 4.350 0.199 269 HA CYS 105 HA CYS 105 1.891 2.499 2.377 270 HB2 CYS 105 2HB CYS 105 4.340 3.146 0.690 271 HB3 CYS 105 1HB CYS 105 4.036 1.728 1.691 272 H ARG 106 H ARG 106 2.506 2.969 4.441 273 HA ARG 106 HA ARG 106 4.581 4.929 4.855 274 HB2 ARG 106 2HB ARG 106 3.240 5.760 6.906 275 HB3 ARG 106 1HB ARG 106 2.917 6.460 5.351 276 HG2 ARG 106 2HG ARG 106 0.819 6.096 6.275 277 HG3 ARG 106 1HG ARG 106 1.049 4.721 5.204 278 HD2 ARG 106 2HD ARG 106 1.760 3.395 7.157 279 HD3 ARG 106 1HD ARG 106 1.364 4.765 8.200 280 HE ARG 106 HE ARG 106 -0.675 3.783 6.402 281 HH11 ARG 106 1HH1 ARG 106 0.439 3.935 9.808 282 HH12 ARG 106 2HH1 ARG 106 -1.040 3.418 10.438 283 HH21 ARG 106 1HH2 ARG 106 -2.694 2.962 7.347 284 HH22 ARG 106 2HH2 ARG 106 -2.840 2.877 9.036 285 H THR 107 H THR 107 5.743 4.795 6.665 286 HA THR 107 HA THR 107 6.174 2.037 7.278 287 HB THR 107 HB THR 107 8.227 2.811 8.399 288 HG1 THR 107 1HG THR 107 6.890 5.255 8.215 289 HG21 THR 107 3HG2 THR 107 7.676 4.050 5.703 290 HG22 THR 107 1HG2 THR 107 8.190 2.389 5.989 291 HG23 THR 107 2HG2 THR 107 9.272 3.726 6.379 292 H GLY 108 H GLY 108 4.307 4.317 8.789 293 HA2 GLY 108 2HA GLY 108 4.096 2.645 11.117 294 HA3 GLY 108 1HA GLY 108 4.808 4.218 11.435 295 H ARG 109 H ARG 109 3.532 6.041 10.329 296 HA ARG 109 HA ARG 109 0.773 5.411 10.812 297 HB2 ARG 109 2HB ARG 109 0.505 7.502 12.064 298 HB3 ARG 109 1HB ARG 109 1.703 6.453 12.823 299 HG2 ARG 109 2HG ARG 109 3.489 7.755 11.779 300 HG3 ARG 109 1HG ARG 109 2.290 8.801 11.032 301 HD2 ARG 109 2HD ARG 109 1.537 9.454 13.315 302 HD3 ARG 109 1HD ARG 109 2.860 8.488 13.980 303 HE ARG 109 HE ARG 109 3.576 10.478 12.016 304 HH11 ARG 109 1HH1 ARG 109 3.357 9.732 15.480 305 HH12 ARG 109 2HH1 ARG 109 4.444 10.957 15.937 306 HH21 ARG 109 1HH2 ARG 109 5.069 12.154 12.679 307 HH22 ARG 109 2HH2 ARG 109 5.417 12.349 14.339 308 H CYS 110 H CYS 110 -0.539 7.611 10.113 309 HA CYS 110 HA CYS 110 0.865 9.245 8.251 310 HB2 CYS 110 2HB CYS 110 -1.083 9.079 6.612 311 HB3 CYS 110 1HB CYS 110 -0.059 7.676 6.606 312 H ALA 111 H ALA 111 0.118 11.318 8.311 313 HA ALA 111 HA ALA 111 -1.498 11.926 10.558 314 HB1 ALA 111 1HB ALA 111 0.392 13.352 9.940 315 HB2 ALA 111 2HB ALA 111 -1.114 14.275 9.964 316 HB3 ALA 111 3HB ALA 111 -0.411 13.766 8.429 317 H THR 112 H THR 112 -3.366 11.014 10.172 318 HA THR 112 HA THR 112 -5.538 12.347 9.314 319 HB THR 112 HB THR 112 -4.638 12.222 6.967 320 HG1 THR 112 1HG THR 112 -7.062 10.787 7.474 321 HG21 THR 112 3HG2 THR 112 -4.910 9.225 7.281 322 HG22 THR 112 1HG2 THR 112 -3.402 10.119 7.095 323 HG23 THR 112 2HG2 THR 112 -4.562 10.063 5.768 324 H ARG 113 H ARG 113 -3.800 9.329 9.538 325 HA ARG 113 HA ARG 113 -4.280 7.255 10.043 326 HB2 ARG 113 2HB ARG 113 -5.806 8.736 12.130 327 HB3 ARG 113 1HB ARG 113 -5.822 6.972 12.098 328 HG2 ARG 113 2HG ARG 113 -3.353 8.679 12.279 329 HG3 ARG 113 1HG ARG 113 -4.166 7.921 13.658 330 HD2 ARG 113 2HD ARG 113 -3.883 5.734 12.547 331 HD3 ARG 113 1HD ARG 113 -2.955 6.522 11.280 332 HE ARG 113 HE ARG 113 -1.590 7.233 13.422 333 HH11 ARG 113 1HH1 ARG 113 -2.962 4.110 12.514 334 HH12 ARG 113 2HH1 ARG 113 -1.749 3.189 13.276 335 HH21 ARG 113 1HH2 ARG 113 0.102 5.969 14.464 336 HH22 ARG 113 2HH2 ARG 113 0.062 4.272 14.406 337 H GLU 114 H GLU 114 -7.514 7.848 11.045 338 HA GLU 114 HA GLU 114 -9.475 7.097 10.426 339 HB2 GLU 114 2HB GLU 114 -8.417 7.546 7.644 340 HB3 GLU 114 1HB GLU 114 -10.101 7.185 8.016 341 HG2 GLU 114 2HG GLU 114 -10.213 9.178 9.417 342 HG3 GLU 114 1HG GLU 114 -8.541 9.549 9.020 343 H SER 115 H SER 115 -7.339 5.394 8.134 344 HA SER 115 HA SER 115 -8.421 2.911 9.173 345 HB2 SER 115 2HB SER 115 -10.026 3.578 7.434 346 HB3 SER 115 1HB SER 115 -8.713 3.668 6.267 347 HG SER 115 HG SER 115 -9.821 1.430 7.544 348 H LEU 116 H LEU 116 -6.627 1.792 9.611 349 HA LEU 116 HA LEU 116 -4.453 1.716 7.700 350 HB2 LEU 116 2HB LEU 116 -3.969 1.508 10.153 351 HB3 LEU 116 1HB LEU 116 -4.952 0.066 10.232 352 HG LEU 116 HG LEU 116 -2.254 0.271 8.793 353 HD11 LEU 116 1HD1 LEU 116 -2.117 0.558 11.182 354 HD12 LEU 116 2HD1 LEU 116 -1.454 -0.990 10.642 355 HD13 LEU 116 3HD1 LEU 116 -3.044 -0.927 11.412 356 HD21 LEU 116 3HD2 LEU 116 -3.748 -1.476 7.866 357 HD22 LEU 116 1HD2 LEU 116 -3.981 -2.103 9.503 358 HD23 LEU 116 2HD2 LEU 116 -2.382 -2.138 8.772 359 H SER 117 H SER 117 -4.707 0.640 6.013 360 HA SER 117 HA SER 117 -6.985 -1.172 5.899 361 HB2 SER 117 2HB SER 117 -6.937 -0.606 3.475 362 HB3 SER 117 1HB SER 117 -7.255 0.743 4.572 363 HG SER 117 HG SER 117 -5.600 0.835 2.754 364 H GLY 118 H GLY 118 -3.623 -1.268 5.828 365 HA2 GLY 118 2HA GLY 118 -3.602 -4.002 5.253 366 HA3 GLY 118 1HA GLY 118 -3.121 -3.097 3.821 367 H VAL 119 H VAL 119 -1.418 -4.824 5.043 368 HA VAL 119 HA VAL 119 0.634 -2.950 5.793 369 HB VAL 119 HB VAL 119 1.570 -4.566 7.500 370 HG11 VAL 119 1HG1 VAL 119 -1.073 -3.322 8.120 371 HG12 VAL 119 2HG1 VAL 119 0.526 -2.544 8.219 372 HG13 VAL 119 3HG1 VAL 119 0.106 -3.846 9.329 373 HG21 VAL 119 3HG2 VAL 119 0.013 -6.115 8.576 374 HG22 VAL 119 1HG2 VAL 119 0.315 -6.531 6.884 375 HG23 VAL 119 2HG2 VAL 119 -1.191 -5.725 7.340 376 H CYS 120 H CYS 120 2.573 -3.468 5.130 377 HA CYS 120 HA CYS 120 3.093 -6.105 4.073 378 HB2 CYS 120 2HB CYS 120 4.312 -4.871 2.161 379 HB3 CYS 120 1HB CYS 120 2.565 -5.094 1.982 380 H GLU 121 H GLU 121 4.918 -6.793 4.933 381 HA GLU 121 HA GLU 121 6.715 -4.747 5.892 382 HB2 GLU 121 2HB GLU 121 6.025 -6.409 7.538 383 HB3 GLU 121 1HB GLU 121 6.545 -7.700 6.500 384 HG2 GLU 121 2HG GLU 121 8.486 -5.656 7.504 385 HG3 GLU 121 1HG GLU 121 8.013 -7.022 8.496 386 H ILE 122 H ILE 122 8.451 -4.347 4.955 387 HA ILE 122 HA ILE 122 9.402 -6.101 2.817 388 HB ILE 122 HB ILE 122 9.026 -3.085 2.401 389 HG12 ILE 122 2HG1 ILE 122 7.282 -5.332 1.293 390 HG13 ILE 122 1HG1 ILE 122 6.831 -4.273 2.621 391 HG21 ILE 122 1HG2 ILE 122 9.717 -5.277 0.498 392 HG22 ILE 122 2HG2 ILE 122 10.826 -4.069 1.146 393 HG23 ILE 122 3HG2 ILE 122 9.488 -3.573 0.106 394 HD11 ILE 122 3HD1 ILE 122 7.496 -3.394 -0.137 395 HD12 ILE 122 1HD1 ILE 122 6.933 -2.388 1.195 396 HD13 ILE 122 2HD1 ILE 122 5.859 -3.623 0.508 397 H SER 123 H SER 123 11.492 -6.243 2.921 398 HA SER 123 HA SER 123 13.644 -6.151 3.660 399 HB2 SER 123 2HB SER 123 14.745 -3.913 3.437 400 HB3 SER 123 1HB SER 123 13.766 -4.353 2.041 401 HG SER 123 HG SER 123 12.186 -3.086 3.688 402 H GLY 124 H GLY 124 11.658 -6.180 5.856 403 HA2 GLY 124 2HA GLY 124 11.987 -6.353 8.124 404 HA3 GLY 124 1HA GLY 124 13.529 -5.525 7.947 405 H ARG 125 H ARG 125 10.883 -4.006 6.447 406 HA ARG 125 HA ARG 125 10.585 -2.181 8.702 407 HB2 ARG 125 2HB ARG 125 12.093 -1.427 6.783 408 HB3 ARG 125 1HB ARG 125 10.655 -1.436 5.778 409 HG2 ARG 125 2HG ARG 125 9.641 0.254 7.170 410 HG3 ARG 125 1HG ARG 125 11.039 0.132 8.257 411 HD2 ARG 125 2HD ARG 125 12.504 0.812 6.378 412 HD3 ARG 125 1HD ARG 125 11.070 1.075 5.394 413 HE ARG 125 HE ARG 125 11.039 2.530 7.859 414 HH11 ARG 125 1HH1 ARG 125 12.171 2.610 4.518 415 HH12 ARG 125 2HH1 ARG 125 12.328 4.311 4.459 416 HH21 ARG 125 1HH2 ARG 125 11.277 4.861 7.778 417 HH22 ARG 125 2HH2 ARG 125 11.817 5.607 6.355 418 H LEU 126 H LEU 126 8.385 -1.540 8.995 419 HA LEU 126 HA LEU 126 6.554 -3.217 7.497 420 HB2 LEU 126 2HB LEU 126 6.676 -2.526 10.175 421 HB3 LEU 126 1HB LEU 126 5.401 -1.501 9.542 422 HG LEU 126 HG LEU 126 4.284 -3.374 10.343 423 HD11 LEU 126 1HD1 LEU 126 3.451 -2.712 8.270 424 HD12 LEU 126 2HD1 LEU 126 3.300 -4.465 8.532 425 HD13 LEU 126 3HD1 LEU 126 4.539 -3.852 7.441 426 HD21 LEU 126 3HD2 LEU 126 6.159 -4.850 10.712 427 HD22 LEU 126 1HD2 LEU 126 6.338 -5.082 8.974 428 HD23 LEU 126 2HD2 LEU 126 4.900 -5.686 9.799 429 H TYR 127 H TYR 127 5.273 -2.414 6.026 430 HA TYR 127 HA TYR 127 4.939 0.457 5.855 431 HB2 TYR 127 2HB TYR 127 5.050 -1.712 3.799 432 HB3 TYR 127 1HB TYR 127 4.485 -0.142 3.329 433 HD1 TYR 127 1HD TYR 127 6.157 1.826 3.620 434 HD2 TYR 127 2HD TYR 127 7.312 -2.258 3.919 435 HE1 TYR 127 1HE TYR 127 8.511 2.460 3.250 436 HE2 TYR 127 2HE TYR 127 9.669 -1.612 3.536 437 HH TYR 127 HH TYR 127 10.934 0.095 2.652 438 H ARG 128 H ARG 128 3.106 0.925 6.682 439 HA ARG 128 HA ARG 128 0.772 -0.834 6.544 440 HB2 ARG 128 2HB ARG 128 1.442 1.672 7.999 441 HB3 ARG 128 1HB ARG 128 -0.221 1.131 7.850 442 HG2 ARG 128 2HG ARG 128 0.197 -0.763 9.063 443 HG3 ARG 128 1HG ARG 128 1.938 -0.592 8.991 444 HD2 ARG 128 2HD ARG 128 1.630 1.576 10.307 445 HD3 ARG 128 1HD ARG 128 -0.038 1.187 10.353 446 HE ARG 128 HE ARG 128 0.335 -0.703 11.682 447 HH11 ARG 128 1HH1 ARG 128 3.288 1.077 11.097 448 HH12 ARG 128 2HH1 ARG 128 4.054 0.550 12.541 449 HH21 ARG 128 1HH2 ARG 128 1.299 -1.413 13.580 450 HH22 ARG 128 2HH2 ARG 128 2.876 -0.931 14.019 451 H LEU 129 H LEU 129 -1.111 -0.113 5.680 452 HA LEU 129 HA LEU 129 -0.776 2.008 3.703 453 HB2 LEU 129 2HB LEU 129 -2.669 -0.340 3.682 454 HB3 LEU 129 1HB LEU 129 -2.443 0.837 2.387 455 HG LEU 129 HG LEU 129 -0.478 -1.249 3.322 456 HD11 LEU 129 1HD1 LEU 129 -0.701 -2.133 1.068 457 HD12 LEU 129 2HD1 LEU 129 -1.989 -0.969 0.745 458 HD13 LEU 129 3HD1 LEU 129 -2.208 -2.214 1.980 459 HD21 LEU 129 3HD2 LEU 129 0.777 0.678 2.708 460 HD22 LEU 129 1HD2 LEU 129 -0.183 0.852 1.210 461 HD23 LEU 129 2HD2 LEU 129 0.858 -0.556 1.436 462 H CYS 130 H CYS 130 -2.154 3.670 3.814 463 HA CYS 130 HA CYS 130 -4.655 3.290 5.182 464 HB2 CYS 130 2HB CYS 130 -4.424 5.766 6.049 465 HB3 CYS 130 1HB CYS 130 -3.505 4.522 6.895 466 H CYS 131 H CYS 131 -6.386 4.432 4.259 467 HA CYS 131 HA CYS 131 -5.635 5.545 1.669 468 HB2 CYS 131 2HB CYS 131 -5.895 2.999 1.611 469 HB3 CYS 131 1HB CYS 131 -7.585 3.297 1.933 470 H ARG 132 H ARG 132 -7.253 6.716 0.684 471 HA ARG 132 HA ARG 132 -9.480 7.430 2.414 472 HB2 ARG 132 2HB ARG 132 -9.605 9.555 1.194 473 HB3 ARG 132 1HB ARG 132 -8.005 9.323 1.871 474 HG2 ARG 132 2HG ARG 132 -7.215 8.624 -0.301 475 HG3 ARG 132 1HG ARG 132 -8.803 8.951 -1.008 476 HD2 ARG 132 2HD ARG 132 -8.540 11.328 -0.085 477 HD3 ARG 132 1HD ARG 132 -6.869 10.824 0.256 478 HE ARG 132 HE ARG 132 -7.437 10.366 -2.442 479 HH11 ARG 132 1HH1 ARG 132 -6.912 13.072 -0.228 480 HH12 ARG 132 2HH1 ARG 132 -6.244 14.096 -1.415 481 HH21 ARG 132 1HH2 ARG 132 -6.541 11.797 -4.082 482 HH22 ARG 132 2HH2 ARG 132 -6.042 13.352 -3.641 Start of MODEL 9 1 H1 ALA 1 1HT ALA 1 -12.559 -1.741 4.377 2 H2 ALA 1 2HT ALA 1 -12.635 -0.060 4.496 3 H3 ALA 1 3HT ALA 1 -11.585 -0.946 5.484 4 HA ALA 1 HA ALA 1 -11.368 -0.815 2.560 5 HB1 ALA 1 2HB ALA 1 -10.822 1.362 3.591 6 HB2 ALA 1 3HB ALA 1 -9.396 0.563 2.937 7 HB3 ALA 1 1HB ALA 1 -9.686 0.551 4.669 8 H THR 2 H THR 2 -10.310 -2.564 1.816 9 HA THR 2 HA THR 2 -8.292 -3.754 3.585 10 HB THR 2 HB THR 2 -9.986 -5.108 1.474 11 HG1 THR 2 1HG THR 2 -10.372 -4.662 4.133 12 HG21 THR 2 3HG2 THR 2 -8.950 -7.188 2.295 13 HG22 THR 2 1HG2 THR 2 -7.938 -6.243 3.388 14 HG23 THR 2 2HG2 THR 2 -7.744 -6.079 1.643 15 H CYS 3 H CYS 3 -6.366 -3.198 2.791 16 HA CYS 3 HA CYS 3 -6.117 -2.984 -0.124 17 HB2 CYS 3 2HB CYS 3 -4.601 -1.346 1.934 18 HB3 CYS 3 1HB CYS 3 -4.489 -1.199 0.199 19 H TYR 4 H TYR 4 -3.755 -3.359 -0.771 20 HA TYR 4 HA TYR 4 -2.043 -4.588 1.068 21 HB2 TYR 4 2HB TYR 4 -1.896 -6.801 -0.139 22 HB3 TYR 4 1HB TYR 4 -3.373 -6.575 0.780 23 HD1 TYR 4 1HD TYR 4 -1.940 -6.626 -2.629 24 HD2 TYR 4 2HD TYR 4 -5.484 -6.599 -0.285 25 HE1 TYR 4 1HE TYR 4 -3.245 -7.161 -4.618 26 HE2 TYR 4 2HE TYR 4 -6.814 -7.141 -2.262 27 HH TYR 4 HH TYR 4 -6.611 -6.862 -4.673 28 H CYS 5 H CYS 5 0.003 -5.016 0.138 29 HA CYS 5 HA CYS 5 0.491 -3.117 -1.958 30 HB2 CYS 5 2HB CYS 5 2.493 -4.706 -0.321 31 HB3 CYS 5 1HB CYS 5 2.746 -3.243 -1.283 32 H ARG 6 H ARG 6 0.320 -3.895 -3.965 33 HA ARG 6 HA ARG 6 1.156 -6.667 -4.569 34 HB2 ARG 6 2HB ARG 6 0.105 -6.226 -6.818 35 HB3 ARG 6 1HB ARG 6 -1.030 -6.278 -5.481 36 HG2 ARG 6 2HG ARG 6 -1.393 -4.027 -5.523 37 HG3 ARG 6 1HG ARG 6 0.071 -3.674 -6.459 38 HD2 ARG 6 2HD ARG 6 -0.960 -4.672 -8.421 39 HD3 ARG 6 1HD ARG 6 -2.352 -5.178 -7.470 40 HE ARG 6 HE ARG 6 -2.703 -2.724 -7.100 41 HH11 ARG 6 1HH1 ARG 6 -1.027 -3.758 -10.070 42 HH12 ARG 6 2HH1 ARG 6 -1.751 -2.614 -11.063 43 HH21 ARG 6 1HH2 ARG 6 -3.773 -1.110 -8.555 44 HH22 ARG 6 2HH2 ARG 6 -3.330 -1.090 -10.199 45 H THR 7 H THR 7 2.596 -7.248 -5.820 46 HA THR 7 HA THR 7 4.734 -5.372 -6.146 47 HB THR 7 HB THR 7 4.691 -8.314 -6.831 48 HG1 THR 7 1HG THR 7 5.557 -8.153 -4.415 49 HG21 THR 7 3HG2 THR 7 6.645 -6.931 -7.366 50 HG22 THR 7 1HG2 THR 7 6.987 -8.136 -6.099 51 HG23 THR 7 2HG2 THR 7 6.679 -6.447 -5.658 52 H GLY 8 H GLY 8 2.146 -5.786 -7.892 53 HA2 GLY 8 2HA GLY 8 3.095 -4.916 -10.332 54 HA3 GLY 8 1HA GLY 8 2.867 -6.667 -10.442 55 H ARG 9 H ARG 9 0.892 -7.427 -10.692 56 HA ARG 9 HA ARG 9 -1.217 -5.433 -10.614 57 HB2 ARG 9 2HB ARG 9 -2.511 -6.890 -12.155 58 HB3 ARG 9 1HB ARG 9 -0.965 -6.409 -12.840 59 HG2 ARG 9 2HG ARG 9 -0.051 -8.576 -12.323 60 HG3 ARG 9 1HG ARG 9 -1.564 -9.045 -11.541 61 HD2 ARG 9 2HD ARG 9 -2.751 -8.777 -13.665 62 HD3 ARG 9 1HD ARG 9 -1.254 -8.300 -14.459 63 HE ARG 9 HE ARG 9 -0.799 -10.754 -13.302 64 HH11 ARG 9 1HH1 ARG 9 -2.984 -9.492 -15.801 65 HH12 ARG 9 2HH1 ARG 9 -3.049 -10.949 -16.669 66 HH21 ARG 9 1HH2 ARG 9 -0.906 -12.739 -14.500 67 HH22 ARG 9 2HH2 ARG 9 -1.854 -12.850 -15.912 68 H CYS 10 H CYS 10 -3.530 -6.777 -10.220 69 HA CYS 10 HA CYS 10 -3.161 -8.938 -8.393 70 HB2 CYS 10 2HB CYS 10 -4.821 -7.838 -6.771 71 HB3 CYS 10 1HB CYS 10 -3.252 -7.070 -6.787 72 H ALA 11 H ALA 11 -5.425 -9.885 -7.901 73 HA ALA 11 HA ALA 11 -6.651 -10.506 -10.418 74 HB1 ALA 11 1HB ALA 11 -6.334 -12.145 -8.633 75 HB2 ALA 11 2HB ALA 11 -8.043 -12.009 -9.057 76 HB3 ALA 11 3HB ALA 11 -7.430 -11.237 -7.596 77 H THR 12 H THR 12 -6.939 -7.786 -9.675 78 HA THR 12 HA THR 12 -9.666 -7.212 -10.155 79 HB THR 12 HB THR 12 -9.932 -7.744 -7.773 80 HG1 THR 12 1HG THR 12 -9.923 -5.031 -8.430 81 HG21 THR 12 3HG2 THR 12 -7.701 -5.761 -7.278 82 HG22 THR 12 1HG2 THR 12 -7.600 -7.503 -7.062 83 HG23 THR 12 2HG2 THR 12 -8.657 -6.550 -6.015 84 H ARG 13 H ARG 13 -7.163 -6.720 -11.336 85 HA ARG 13 HA ARG 13 -5.990 -4.282 -10.437 86 HB2 ARG 13 2HB ARG 13 -4.875 -6.284 -11.684 87 HB3 ARG 13 1HB ARG 13 -5.507 -5.528 -13.134 88 HG2 ARG 13 2HG ARG 13 -3.581 -4.233 -11.195 89 HG3 ARG 13 1HG ARG 13 -3.133 -5.013 -12.700 90 HD2 ARG 13 2HD ARG 13 -4.916 -2.598 -12.460 91 HD3 ARG 13 1HD ARG 13 -3.178 -2.590 -12.793 92 HE ARG 13 HE ARG 13 -4.200 -4.189 -14.707 93 HH11 ARG 13 1HH1 ARG 13 -4.943 -0.880 -13.701 94 HH12 ARG 13 2HH1 ARG 13 -5.351 -0.358 -15.275 95 HH21 ARG 13 1HH2 ARG 13 -4.731 -3.435 -16.857 96 HH22 ARG 13 2HH2 ARG 13 -5.221 -1.814 -17.074 97 H GLU 14 H GLU 14 -7.783 -2.970 -10.463 98 HA GLU 14 HA GLU 14 -7.971 -1.379 -12.878 99 HB2 GLU 14 2HB GLU 14 -9.881 -3.043 -12.966 100 HB3 GLU 14 1HB GLU 14 -10.439 -2.408 -11.430 101 HG2 GLU 14 2HG GLU 14 -10.692 -0.179 -12.532 102 HG3 GLU 14 1HG GLU 14 -10.300 -0.958 -14.062 103 H SER 15 H SER 15 -6.959 -1.516 -10.042 104 HA SER 15 HA SER 15 -7.973 1.030 -9.169 105 HB2 SER 15 2HB SER 15 -9.432 -0.568 -8.022 106 HB3 SER 15 1HB SER 15 -8.025 -1.439 -7.422 107 HG SER 15 HG SER 15 -8.854 1.188 -6.789 108 H LEU 16 H LEU 16 -5.891 1.762 -9.719 109 HA LEU 16 HA LEU 16 -3.906 0.856 -7.799 110 HB2 LEU 16 2HB LEU 16 -3.199 0.973 -10.253 111 HB3 LEU 16 1HB LEU 16 -3.455 2.697 -10.186 112 HG LEU 16 HG LEU 16 -1.329 1.210 -8.585 113 HD11 LEU 16 1HD1 LEU 16 -1.143 2.879 -11.074 114 HD12 LEU 16 2HD1 LEU 16 -0.875 1.131 -10.946 115 HD13 LEU 16 3HD1 LEU 16 0.211 2.255 -10.134 116 HD21 LEU 16 3HD2 LEU 16 -2.069 3.322 -7.530 117 HD22 LEU 16 1HD2 LEU 16 -1.801 4.161 -9.054 118 HD23 LEU 16 2HD2 LEU 16 -0.442 3.465 -8.191 119 H SER 17 H SER 17 -3.980 1.876 -6.048 120 HA SER 17 HA SER 17 -5.204 4.526 -6.071 121 HB2 SER 17 2HB SER 17 -5.709 4.028 -3.675 122 HB3 SER 17 1HB SER 17 -6.492 2.970 -4.848 123 HG SER 17 HG SER 17 -5.407 2.059 -2.921 124 H GLY 18 H GLY 18 -2.260 2.973 -5.585 125 HA2 GLY 18 2HA GLY 18 -0.914 5.365 -5.068 126 HA3 GLY 18 1HA GLY 18 -1.066 4.444 -3.576 127 H VAL 19 H VAL 19 1.395 4.965 -4.709 128 HA VAL 19 HA VAL 19 2.226 2.229 -5.193 129 HB VAL 19 HB VAL 19 4.085 3.054 -6.702 130 HG11 VAL 19 1HG1 VAL 19 2.749 3.109 -8.735 131 HG12 VAL 19 2HG1 VAL 19 1.305 3.358 -7.752 132 HG13 VAL 19 3HG1 VAL 19 2.222 1.844 -7.622 133 HG21 VAL 19 3HG2 VAL 19 3.959 5.417 -6.180 134 HG22 VAL 19 1HG2 VAL 19 2.348 5.499 -6.888 135 HG23 VAL 19 2HG2 VAL 19 3.742 5.156 -7.916 136 H CYS 20 H CYS 20 4.306 1.784 -4.625 137 HA CYS 20 HA CYS 20 5.892 3.776 -3.346 138 HB2 CYS 20 2HB CYS 20 6.250 2.096 -1.390 139 HB3 CYS 20 1HB CYS 20 4.880 3.216 -1.290 140 H GLU 21 H GLU 21 7.879 3.528 -3.955 141 HA GLU 21 HA GLU 21 8.604 0.938 -5.033 142 HB2 GLU 21 2HB GLU 21 8.936 2.796 -6.549 143 HB3 GLU 21 1HB GLU 21 9.858 3.668 -5.364 144 HG2 GLU 21 2HG GLU 21 10.799 1.012 -6.375 145 HG3 GLU 21 1HG GLU 21 11.074 2.462 -7.319 146 H ILE 22 H ILE 22 9.863 -0.312 -4.059 147 HA ILE 22 HA ILE 22 11.310 0.673 -1.716 148 HB ILE 22 HB ILE 22 9.613 -1.856 -1.659 149 HG12 ILE 22 2HG1 ILE 22 8.935 0.859 -0.432 150 HG13 ILE 22 1HG1 ILE 22 8.219 0.215 -1.899 151 HG21 ILE 22 1HG2 ILE 22 10.020 -1.703 0.739 152 HG22 ILE 22 2HG2 ILE 22 11.063 -0.301 0.459 153 HG23 ILE 22 3HG2 ILE 22 11.510 -1.873 -0.187 154 HD11 ILE 22 3HD1 ILE 22 6.818 -0.074 0.031 155 HD12 ILE 22 1HD1 ILE 22 8.104 -1.025 0.787 156 HD13 ILE 22 2HD1 ILE 22 7.329 -1.613 -0.693 157 H SER 23 H SER 23 13.238 -0.040 -1.771 158 HA SER 23 HA SER 23 15.197 -0.982 -2.428 159 HB2 SER 23 2HB SER 23 15.254 -3.512 -2.298 160 HB3 SER 23 1HB SER 23 14.536 -2.726 -0.895 161 HG SER 23 HG SER 23 12.626 -3.222 -2.680 162 H GLY 24 H GLY 24 13.540 -0.047 -4.641 163 HA2 GLY 24 2HA GLY 24 14.063 0.105 -6.889 164 HA3 GLY 24 1HA GLY 24 15.003 -1.376 -6.766 165 H ARG 25 H ARG 25 12.081 -1.903 -5.327 166 HA ARG 25 HA ARG 25 11.015 -3.211 -7.729 167 HB2 ARG 25 2HB ARG 25 11.884 -4.515 -5.700 168 HB3 ARG 25 1HB ARG 25 10.547 -3.827 -4.811 169 HG2 ARG 25 2HG ARG 25 8.980 -4.973 -6.278 170 HG3 ARG 25 1HG ARG 25 10.359 -5.603 -7.205 171 HD2 ARG 25 2HD ARG 25 11.219 -6.640 -5.104 172 HD3 ARG 25 1HD ARG 25 9.735 -6.148 -4.301 173 HE ARG 25 HE ARG 25 9.218 -7.702 -6.628 174 HH11 ARG 25 1HH1 ARG 25 10.057 -7.951 -3.176 175 HH12 ARG 25 2HH1 ARG 25 9.637 -9.589 -3.064 176 HH21 ARG 25 1HH2 ARG 25 8.589 -9.934 -6.426 177 HH22 ARG 25 2HH2 ARG 25 8.750 -10.736 -4.935 178 H LEU 26 H LEU 26 8.844 -2.571 -8.292 179 HA LEU 26 HA LEU 26 7.904 -0.290 -6.758 180 HB2 LEU 26 2HB LEU 26 8.036 -0.737 -9.469 181 HB3 LEU 26 1HB LEU 26 6.363 -1.114 -9.098 182 HG LEU 26 HG LEU 26 6.267 1.105 -9.709 183 HD11 LEU 26 1HD1 LEU 26 5.687 2.412 -7.853 184 HD12 LEU 26 2HD1 LEU 26 6.452 1.253 -6.779 185 HD13 LEU 26 3HD1 LEU 26 5.035 0.764 -7.745 186 HD21 LEU 26 3HD2 LEU 26 8.755 1.599 -8.101 187 HD22 LEU 26 1HD2 LEU 26 7.806 2.859 -8.901 188 HD23 LEU 26 2HD2 LEU 26 8.600 1.611 -9.854 189 H TYR 27 H TYR 27 6.307 -0.468 -5.393 190 HA TYR 27 HA TYR 27 4.512 -2.734 -5.553 191 HB2 TYR 27 2HB TYR 27 5.528 -1.034 -3.342 192 HB3 TYR 27 1HB TYR 27 4.081 -1.943 -3.039 193 HD1 TYR 27 1HD TYR 27 4.227 -4.473 -3.337 194 HD2 TYR 27 2HD TYR 27 7.671 -1.983 -3.227 195 HE1 TYR 27 1HE TYR 27 5.595 -6.419 -2.858 196 HE2 TYR 27 2HE TYR 27 9.073 -3.947 -2.725 197 HH TYR 27 HH TYR 27 8.775 -6.246 -1.733 198 H ARG 28 H ARG 28 2.495 -2.418 -5.955 199 HA ARG 28 HA ARG 28 1.418 0.327 -6.127 200 HB2 ARG 28 2HB ARG 28 0.677 -2.216 -7.526 201 HB3 ARG 28 1HB ARG 28 -0.364 -0.805 -7.523 202 HG2 ARG 28 2HG ARG 28 1.154 0.422 -8.745 203 HG3 ARG 28 1HG ARG 28 2.458 -0.721 -8.512 204 HD2 ARG 28 2HD ARG 28 1.048 -2.406 -9.725 205 HD3 ARG 28 1HD ARG 28 -0.094 -1.195 -10.067 206 HE ARG 28 HE ARG 28 1.364 -0.132 -11.530 207 HH11 ARG 28 1HH1 ARG 28 2.994 -2.839 -9.952 208 HH12 ARG 28 2HH1 ARG 28 4.104 -3.109 -11.223 209 HH21 ARG 28 1HH2 ARG 28 2.890 -0.511 -13.288 210 HH22 ARG 28 2HH2 ARG 28 4.035 -1.761 -13.134 211 H LEU 29 H LEU 29 -0.665 0.618 -5.382 212 HA LEU 29 HA LEU 29 -1.486 -1.376 -3.413 213 HB2 LEU 29 2HB LEU 29 -2.106 1.577 -3.492 214 HB3 LEU 29 1HB LEU 29 -2.463 0.454 -2.184 215 HG LEU 29 HG LEU 29 0.259 1.402 -3.058 216 HD11 LEU 29 1HD1 LEU 29 -0.887 3.093 -1.814 217 HD12 LEU 29 2HD1 LEU 29 0.373 2.349 -0.804 218 HD13 LEU 29 3HD1 LEU 29 -1.312 1.922 -0.561 219 HD21 LEU 29 3HD2 LEU 29 -0.486 -0.486 -0.864 220 HD22 LEU 29 1HD2 LEU 29 1.110 0.215 -1.160 221 HD23 LEU 29 2HD2 LEU 29 0.422 -0.880 -2.363 222 H CYS 30 H CYS 30 -3.224 -2.514 -4.089 223 HA CYS 30 HA CYS 30 -5.263 -0.978 -5.454 224 HB2 CYS 30 2HB CYS 30 -6.099 -3.212 -6.512 225 HB3 CYS 30 1HB CYS 30 -4.547 -2.633 -7.096 226 H CYS 31 H CYS 31 -7.096 -0.793 -4.316 227 HA CYS 31 HA CYS 31 -7.124 -2.445 -1.895 228 HB2 CYS 31 2HB CYS 31 -6.600 0.037 -1.692 229 HB3 CYS 31 1HB CYS 31 -8.280 0.319 -2.129 230 H ARG 32 H ARG 32 -9.113 -3.104 -1.058 231 HA ARG 32 HA ARG 32 -11.348 -3.068 -2.975 232 HB2 ARG 32 2HB ARG 32 -11.752 -5.435 -2.461 233 HB3 ARG 32 1HB ARG 32 -10.144 -5.223 -3.135 234 HG2 ARG 32 2HG ARG 32 -9.255 -5.274 -0.801 235 HG3 ARG 32 1HG ARG 32 -10.892 -5.651 -0.262 236 HD2 ARG 32 2HD ARG 32 -9.182 -7.316 -2.109 237 HD3 ARG 32 1HD ARG 32 -9.544 -7.651 -0.419 238 HE ARG 32 HE ARG 32 -11.754 -7.474 -2.331 239 HH11 ARG 32 1HH1 ARG 32 -9.771 -9.496 -0.181 240 HH12 ARG 32 2HH1 ARG 32 -10.760 -10.861 -0.336 241 HH21 ARG 32 1HH2 ARG 32 -13.124 -9.389 -2.521 242 HH22 ARG 32 2HH2 ARG 32 -12.692 -10.800 -1.653 243 H1 ALA 101 H ALA 101 -9.203 6.643 -6.066 244 HA ALA 101 HA ALA 101 -9.680 5.905 -3.407 245 HB1 ALA 101 1HB ALA 101 -10.076 3.688 -4.401 246 HB2 ALA 101 2HB ALA 101 -8.619 3.711 -3.404 247 HB3 ALA 101 3HB ALA 101 -8.483 3.752 -5.159 248 H THR 102 H THR 102 -8.027 6.759 -2.293 249 HA THR 102 HA THR 102 -5.453 6.963 -3.682 250 HB THR 102 HB THR 102 -6.594 9.033 -1.788 251 HG1 THR 102 1HG THR 102 -7.801 8.948 -3.647 252 HG21 THR 102 3HG2 THR 102 -4.264 9.111 -3.726 253 HG22 THR 102 1HG2 THR 102 -4.129 8.976 -1.971 254 HG23 THR 102 2HG2 THR 102 -4.791 10.442 -2.697 255 H CYS 103 H CYS 103 -4.095 5.674 -2.647 256 HA CYS 103 HA CYS 103 -4.264 5.498 0.283 257 HB2 CYS 103 2HB CYS 103 -3.484 3.237 -1.583 258 HB3 CYS 103 1HB CYS 103 -3.711 3.145 0.149 259 H TYR 104 H TYR 104 -2.009 4.656 1.121 260 HA TYR 104 HA TYR 104 0.167 4.929 -0.589 261 HB2 TYR 104 2HB TYR 104 1.276 6.867 0.662 262 HB3 TYR 104 1HB TYR 104 0.009 7.276 -0.476 263 HD1 TYR 104 1HD TYR 104 0.936 7.129 3.094 264 HD2 TYR 104 2HD TYR 104 -2.044 8.279 0.283 265 HE1 TYR 104 1HE TYR 104 -0.171 8.493 4.821 266 HE2 TYR 104 2HE TYR 104 -3.158 9.631 1.997 267 HH TYR 104 HH TYR 104 -3.310 9.793 4.391 268 H CYS 105 H CYS 105 2.155 4.390 0.296 269 HA CYS 105 HA CYS 105 1.791 2.445 2.393 270 HB2 CYS 105 2HB CYS 105 4.293 2.964 0.752 271 HB3 CYS 105 1HB CYS 105 3.797 1.518 1.630 272 H ARG 106 H ARG 106 2.164 3.162 4.453 273 HA ARG 106 HA ARG 106 4.471 4.894 4.867 274 HB2 ARG 106 2HB ARG 106 3.174 5.859 6.893 275 HB3 ARG 106 1HB ARG 106 2.802 6.468 5.300 276 HG2 ARG 106 2HG ARG 106 0.747 6.185 6.390 277 HG3 ARG 106 1HG ARG 106 0.914 4.830 5.263 278 HD2 ARG 106 2HD ARG 106 1.693 3.457 7.197 279 HD3 ARG 106 1HD ARG 106 1.266 4.797 8.260 280 HE ARG 106 HE ARG 106 -0.774 3.802 6.470 281 HH11 ARG 106 1HH1 ARG 106 0.411 3.910 9.798 282 HH12 ARG 106 2HH1 ARG 106 -0.951 3.260 10.521 283 HH21 ARG 106 1HH2 ARG 106 -2.716 2.776 7.447 284 HH22 ARG 106 2HH2 ARG 106 -2.786 2.588 9.138 285 H THR 107 H THR 107 5.675 4.634 6.666 286 HA THR 107 HA THR 107 5.635 1.839 7.462 287 HB THR 107 HB THR 107 7.948 2.262 8.290 288 HG1 THR 107 1HG THR 107 8.297 4.288 8.658 289 HG21 THR 107 3HG2 THR 107 7.526 1.455 6.022 290 HG22 THR 107 1HG2 THR 107 8.922 2.531 6.062 291 HG23 THR 107 2HG2 THR 107 7.372 3.117 5.460 292 H GLY 108 H GLY 108 4.285 4.415 8.664 293 HA2 GLY 108 2HA GLY 108 4.389 3.357 11.342 294 HA3 GLY 108 1HA GLY 108 4.864 5.047 11.116 295 H ARG 109 H ARG 109 3.331 6.380 11.438 296 HA ARG 109 HA ARG 109 0.594 5.487 10.983 297 HB2 ARG 109 2HB ARG 109 -0.050 7.368 12.451 298 HB3 ARG 109 1HB ARG 109 1.039 6.241 13.245 299 HG2 ARG 109 2HG ARG 109 2.893 7.758 12.766 300 HG3 ARG 109 1HG ARG 109 1.749 8.910 12.072 301 HD2 ARG 109 2HD ARG 109 0.594 9.005 14.255 302 HD3 ARG 109 1HD ARG 109 1.797 7.891 14.903 303 HE ARG 109 HE ARG 109 3.162 10.005 13.789 304 HH11 ARG 109 1HH1 ARG 109 0.978 9.440 16.510 305 HH12 ARG 109 2HH1 ARG 109 1.566 10.752 17.428 306 HH21 ARG 109 1HH2 ARG 109 3.983 11.773 15.073 307 HH22 ARG 109 2HH2 ARG 109 3.305 12.102 16.602 308 H CYS 110 H CYS 110 -0.828 7.652 10.378 309 HA CYS 110 HA CYS 110 0.646 9.353 8.633 310 HB2 CYS 110 2HB CYS 110 -1.451 9.162 7.018 311 HB3 CYS 110 1HB CYS 110 -0.221 7.932 6.888 312 H ALA 111 H ALA 111 -0.936 11.296 7.966 313 HA ALA 111 HA ALA 111 -1.475 12.462 10.510 314 HB1 ALA 111 1HB ALA 111 -2.175 13.476 7.743 315 HB2 ALA 111 2HB ALA 111 -0.677 13.809 8.614 316 HB3 ALA 111 3HB ALA 111 -2.208 14.431 9.225 317 H THR 112 H THR 112 -3.454 11.194 7.917 318 HA THR 112 HA THR 112 -5.821 11.405 9.470 319 HB THR 112 HB THR 112 -6.065 11.215 7.060 320 HG1 THR 112 1HG THR 112 -7.631 10.172 8.253 321 HG21 THR 112 3HG2 THR 112 -4.018 10.127 6.435 322 HG22 THR 112 1HG2 THR 112 -5.345 9.166 5.793 323 HG23 THR 112 2HG2 THR 112 -4.463 8.651 7.252 324 H ARG 113 H ARG 113 -5.994 10.278 11.331 325 HA ARG 113 HA ARG 113 -3.947 8.428 11.718 326 HB2 ARG 113 2HB ARG 113 -5.502 9.864 13.741 327 HB3 ARG 113 1HB ARG 113 -4.688 8.347 14.173 328 HG2 ARG 113 2HG ARG 113 -3.232 10.523 12.726 329 HG3 ARG 113 1HG ARG 113 -3.360 10.490 14.491 330 HD2 ARG 113 2HD ARG 113 -2.202 8.176 12.829 331 HD3 ARG 113 1HD ARG 113 -1.279 9.404 13.650 332 HE ARG 113 HE ARG 113 -2.529 8.672 15.707 333 HH11 ARG 113 1HH1 ARG 113 -1.634 6.391 13.123 334 HH12 ARG 113 2HH1 ARG 113 -1.540 5.073 14.187 335 HH21 ARG 113 1HH2 ARG 113 -2.381 6.822 17.093 336 HH22 ARG 113 2HH2 ARG 113 -1.988 5.297 16.429 337 H GLU 114 H GLU 114 -4.205 6.958 10.616 338 HA GLU 114 HA GLU 114 -4.212 4.873 10.241 339 HB2 GLU 114 2HB GLU 114 -3.157 4.632 12.350 340 HB3 GLU 114 1HB GLU 114 -4.706 4.512 13.168 341 HG2 GLU 114 2HG GLU 114 -5.180 2.411 12.137 342 HG3 GLU 114 1HG GLU 114 -3.800 2.610 11.056 343 H SER 115 H SER 115 -5.728 4.910 8.828 344 HA SER 115 HA SER 115 -7.843 3.051 9.529 345 HB2 SER 115 2HB SER 115 -8.591 5.139 8.284 346 HB3 SER 115 1HB SER 115 -7.486 4.700 6.987 347 HG SER 115 HG SER 115 -9.638 4.043 6.597 348 H LEU 116 H LEU 116 -6.200 1.573 9.813 349 HA LEU 116 HA LEU 116 -4.348 1.092 7.667 350 HB2 LEU 116 2HB LEU 116 -3.716 0.975 10.128 351 HB3 LEU 116 1HB LEU 116 -4.719 -0.437 10.268 352 HG LEU 116 HG LEU 116 -2.102 -0.282 8.695 353 HD11 LEU 116 1HD1 LEU 116 -1.266 -1.649 10.441 354 HD12 LEU 116 2HD1 LEU 116 -2.797 -1.532 11.312 355 HD13 LEU 116 3HD1 LEU 116 -1.809 -0.090 11.057 356 HD21 LEU 116 3HD2 LEU 116 -3.953 -2.593 9.340 357 HD22 LEU 116 1HD2 LEU 116 -2.366 -2.731 8.593 358 HD23 LEU 116 2HD2 LEU 116 -3.672 -1.929 7.734 359 H SER 117 H SER 117 -4.814 0.014 6.100 360 HA SER 117 HA SER 117 -7.120 -1.785 6.197 361 HB2 SER 117 2HB SER 117 -7.219 -1.226 3.758 362 HB3 SER 117 1HB SER 117 -7.540 0.106 4.873 363 HG SER 117 HG SER 117 -6.037 0.441 3.054 364 H GLY 118 H GLY 118 -3.763 -1.650 5.745 365 HA2 GLY 118 2HA GLY 118 -3.585 -4.402 5.299 366 HA3 GLY 118 1HA GLY 118 -3.266 -3.514 3.811 367 H VAL 119 H VAL 119 -1.365 -5.057 4.976 368 HA VAL 119 HA VAL 119 0.647 -3.068 5.580 369 HB VAL 119 HB VAL 119 1.714 -4.735 7.205 370 HG11 VAL 119 1HG1 VAL 119 -0.763 -3.243 7.959 371 HG12 VAL 119 2HG1 VAL 119 0.912 -2.652 8.015 372 HG13 VAL 119 3HG1 VAL 119 0.379 -3.904 9.129 373 HG21 VAL 119 3HG2 VAL 119 0.280 -6.638 6.761 374 HG22 VAL 119 1HG2 VAL 119 -1.125 -5.741 7.334 375 HG23 VAL 119 2HG2 VAL 119 0.159 -6.172 8.461 376 H CYS 120 H CYS 120 2.639 -3.626 5.020 377 HA CYS 120 HA CYS 120 3.182 -6.230 3.940 378 HB2 CYS 120 2HB CYS 120 4.227 -5.106 1.872 379 HB3 CYS 120 1HB CYS 120 2.450 -5.203 1.880 380 H GLU 121 H GLU 121 5.009 -6.802 4.937 381 HA GLU 121 HA GLU 121 6.731 -4.616 5.781 382 HB2 GLU 121 2HB GLU 121 5.998 -6.294 7.453 383 HB3 GLU 121 1HB GLU 121 6.798 -7.544 6.548 384 HG2 GLU 121 2HG GLU 121 8.944 -6.297 6.853 385 HG3 GLU 121 1HG GLU 121 8.084 -5.191 7.910 386 H ILE 122 H ILE 122 8.146 -4.107 4.417 387 HA ILE 122 HA ILE 122 9.241 -6.140 2.594 388 HB ILE 122 HB ILE 122 8.637 -3.234 1.902 389 HG12 ILE 122 2HG1 ILE 122 7.070 -5.736 1.172 390 HG13 ILE 122 1HG1 ILE 122 6.574 -4.521 2.346 391 HG21 ILE 122 1HG2 ILE 122 10.463 -4.248 0.633 392 HG22 ILE 122 2HG2 ILE 122 9.051 -3.949 -0.380 393 HG23 ILE 122 3HG2 ILE 122 9.398 -5.581 0.183 394 HD11 ILE 122 3HD1 ILE 122 7.014 -4.028 -0.570 395 HD12 ILE 122 1HD1 ILE 122 6.440 -2.869 0.623 396 HD13 ILE 122 2HD1 ILE 122 5.445 -4.273 0.210 397 H SER 123 H SER 123 11.391 -6.108 2.430 398 HA SER 123 HA SER 123 13.524 -5.792 2.977 399 HB2 SER 123 2HB SER 123 14.425 -3.436 2.738 400 HB3 SER 123 1HB SER 123 13.433 -3.959 1.383 401 HG SER 123 HG SER 123 11.848 -2.809 3.154 402 H GLY 124 H GLY 124 11.754 -6.148 5.148 403 HA2 GLY 124 2HA GLY 124 11.938 -6.298 7.439 404 HA3 GLY 124 1HA GLY 124 13.515 -5.535 7.303 405 H ARG 125 H ARG 125 10.865 -3.840 5.916 406 HA ARG 125 HA ARG 125 10.732 -2.011 8.202 407 HB2 ARG 125 2HB ARG 125 12.034 -1.322 6.097 408 HB3 ARG 125 1HB ARG 125 10.505 -1.397 5.252 409 HG2 ARG 125 2HG ARG 125 9.634 0.360 6.726 410 HG3 ARG 125 1HG ARG 125 11.220 0.370 7.526 411 HD2 ARG 125 2HD ARG 125 12.273 0.898 5.355 412 HD3 ARG 125 1HD ARG 125 10.672 1.010 4.633 413 HE ARG 125 HE ARG 125 11.240 2.721 6.899 414 HH11 ARG 125 1HH1 ARG 125 10.754 2.468 3.380 415 HH12 ARG 125 2HH1 ARG 125 10.820 4.127 3.081 416 HH21 ARG 125 1HH2 ARG 125 11.355 5.093 6.463 417 HH22 ARG 125 2HH2 ARG 125 11.178 5.640 4.867 418 H LEU 126 H LEU 126 8.473 -1.492 8.722 419 HA LEU 126 HA LEU 126 6.632 -3.284 7.346 420 HB2 LEU 126 2HB LEU 126 6.866 -2.823 9.987 421 HB3 LEU 126 1HB LEU 126 5.764 -1.524 9.574 422 HG LEU 126 HG LEU 126 4.275 -3.087 10.203 423 HD11 LEU 126 1HD1 LEU 126 3.648 -2.452 8.036 424 HD12 LEU 126 2HD1 LEU 126 3.155 -4.114 8.438 425 HD13 LEU 126 3HD1 LEU 126 4.542 -3.848 7.374 426 HD21 LEU 126 3HD2 LEU 126 5.743 -4.855 10.778 427 HD22 LEU 126 1HD2 LEU 126 6.034 -5.235 9.080 428 HD23 LEU 126 2HD2 LEU 126 4.441 -5.504 9.785 429 H TYR 127 H TYR 127 5.467 -2.478 5.738 430 HA TYR 127 HA TYR 127 4.900 0.359 5.639 431 HB2 TYR 127 2HB TYR 127 4.987 -1.856 3.662 432 HB3 TYR 127 1HB TYR 127 4.238 -0.390 3.147 433 HD1 TYR 127 1HD TYR 127 5.731 1.722 3.175 434 HD2 TYR 127 2HD TYR 127 7.283 -2.206 3.676 435 HE1 TYR 127 1HE TYR 127 7.977 2.541 2.602 436 HE2 TYR 127 2HE TYR 127 9.535 -1.392 3.089 437 HH TYR 127 HH TYR 127 10.555 0.486 1.877 438 H ARG 128 H ARG 128 3.087 0.857 6.568 439 HA ARG 128 HA ARG 128 0.763 -0.920 6.554 440 HB2 ARG 128 2HB ARG 128 1.370 1.663 7.944 441 HB3 ARG 128 1HB ARG 128 -0.229 0.953 7.936 442 HG2 ARG 128 2HG ARG 128 0.471 -0.848 9.180 443 HG3 ARG 128 1HG ARG 128 2.171 -0.500 8.959 444 HD2 ARG 128 2HD ARG 128 1.651 1.741 10.152 445 HD3 ARG 128 1HD ARG 128 0.141 1.126 10.486 446 HE ARG 128 HE ARG 128 0.966 -0.596 11.852 447 HH11 ARG 128 1HH1 ARG 128 3.553 1.479 10.698 448 HH12 ARG 128 2HH1 ARG 128 4.567 1.240 12.057 449 HH21 ARG 128 1HH2 ARG 128 2.360 -0.998 13.681 450 HH22 ARG 128 2HH2 ARG 128 3.886 -0.244 13.771 451 H LEU 129 H LEU 129 -1.057 -0.372 5.546 452 HA LEU 129 HA LEU 129 -0.821 1.844 3.672 453 HB2 LEU 129 2HB LEU 129 -2.715 -0.497 3.620 454 HB3 LEU 129 1HB LEU 129 -2.441 0.679 2.348 455 HG LEU 129 HG LEU 129 -0.479 -1.390 3.313 456 HD11 LEU 129 1HD1 LEU 129 -2.188 -2.372 1.974 457 HD12 LEU 129 2HD1 LEU 129 -0.678 -2.270 1.043 458 HD13 LEU 129 3HD1 LEU 129 -1.980 -1.128 0.741 459 HD21 LEU 129 3HD2 LEU 129 0.730 0.586 2.701 460 HD22 LEU 129 1HD2 LEU 129 -0.184 0.687 1.174 461 HD23 LEU 129 2HD2 LEU 129 0.905 -0.675 1.473 462 H CYS 130 H CYS 130 -1.957 3.595 4.109 463 HA CYS 130 HA CYS 130 -4.552 3.188 5.308 464 HB2 CYS 130 2HB CYS 130 -4.366 5.614 6.236 465 HB3 CYS 130 1HB CYS 130 -3.413 4.393 7.083 466 H CYS 131 H CYS 131 -6.229 4.406 4.436 467 HA CYS 131 HA CYS 131 -5.455 5.593 1.891 468 HB2 CYS 131 2HB CYS 131 -5.970 3.110 1.714 469 HB3 CYS 131 1HB CYS 131 -7.621 3.524 2.155 470 H ARG 132 H ARG 132 -7.280 6.743 0.888 471 HA ARG 132 HA ARG 132 -9.164 7.670 2.912 472 HB2 ARG 132 2HB ARG 132 -8.971 9.945 1.890 473 HB3 ARG 132 1HB ARG 132 -7.515 9.404 2.710 474 HG2 ARG 132 2HG ARG 132 -6.556 8.812 0.505 475 HG3 ARG 132 1HG ARG 132 -8.014 9.449 -0.256 476 HD2 ARG 132 2HD ARG 132 -6.081 11.011 1.451 477 HD3 ARG 132 1HD ARG 132 -6.190 11.068 -0.303 478 HE ARG 132 HE ARG 132 -8.692 11.675 0.834 479 HH11 ARG 132 1HH1 ARG 132 -5.491 13.067 0.340 480 HH12 ARG 132 2HH1 ARG 132 -6.027 14.679 0.371 481 HH21 ARG 132 1HH2 ARG 132 -9.439 13.910 0.879 482 HH22 ARG 132 2HH2 ARG 132 -8.317 15.166 0.682 Start of MODEL 10 1 H1 ALA 1 1HT ALA 1 -12.095 -1.124 5.065 2 H2 ALA 1 2HT ALA 1 -12.136 0.552 4.904 3 H3 ALA 1 3HT ALA 1 -10.832 -0.219 5.687 4 HA ALA 1 HA ALA 1 -11.513 -0.562 2.844 5 HB1 ALA 1 2HB ALA 1 -9.376 0.618 2.439 6 HB2 ALA 1 3HB ALA 1 -9.231 0.912 4.166 7 HB3 ALA 1 1HB ALA 1 -10.546 1.651 3.262 8 H THR 2 H THR 2 -10.306 -2.187 1.833 9 HA THR 2 HA THR 2 -8.372 -3.603 3.533 10 HB THR 2 HB THR 2 -10.209 -4.809 1.441 11 HG1 THR 2 1HG THR 2 -10.557 -4.311 4.123 12 HG21 THR 2 3HG2 THR 2 -8.075 -5.992 1.698 13 HG22 THR 2 1HG2 THR 2 -9.409 -6.955 2.329 14 HG23 THR 2 2HG2 THR 2 -8.338 -6.100 3.440 15 H CYS 3 H CYS 3 -6.403 -3.208 2.642 16 HA CYS 3 HA CYS 3 -6.251 -3.062 -0.284 17 HB2 CYS 3 2HB CYS 3 -4.628 -1.350 1.619 18 HB3 CYS 3 1HB CYS 3 -4.702 -1.219 -0.123 19 H TYR 4 H TYR 4 -3.843 -3.472 -0.973 20 HA TYR 4 HA TYR 4 -2.219 -4.745 0.916 21 HB2 TYR 4 2HB TYR 4 -2.127 -6.970 -0.332 22 HB3 TYR 4 1HB TYR 4 -3.529 -6.690 0.679 23 HD1 TYR 4 1HD TYR 4 -2.373 -6.651 -2.868 24 HD2 TYR 4 2HD TYR 4 -5.686 -6.906 -0.215 25 HE1 TYR 4 1HE TYR 4 -3.826 -7.296 -4.747 26 HE2 TYR 4 2HE TYR 4 -7.148 -7.543 -2.082 27 HH TYR 4 HH TYR 4 -7.215 -7.338 -4.522 28 H CYS 5 H CYS 5 -0.152 -5.326 0.129 29 HA CYS 5 HA CYS 5 0.624 -3.450 -1.952 30 HB2 CYS 5 2HB CYS 5 2.439 -5.032 -0.108 31 HB3 CYS 5 1HB CYS 5 2.770 -3.566 -1.025 32 H ARG 6 H ARG 6 1.004 -4.327 -3.994 33 HA ARG 6 HA ARG 6 2.491 -6.822 -4.124 34 HB2 ARG 6 2HB ARG 6 1.129 -7.691 -5.983 35 HB3 ARG 6 1HB ARG 6 0.249 -7.623 -4.467 36 HG2 ARG 6 2HG ARG 6 -0.976 -5.683 -5.209 37 HG3 ARG 6 1HG ARG 6 0.010 -5.574 -6.666 38 HD2 ARG 6 2HD ARG 6 -2.162 -6.610 -7.051 39 HD3 ARG 6 1HD ARG 6 -0.823 -7.666 -7.464 40 HE ARG 6 HE ARG 6 -1.716 -8.073 -4.789 41 HH11 ARG 6 1HH1 ARG 6 -2.375 -8.996 -8.153 42 HH12 ARG 6 2HH1 ARG 6 -3.235 -10.407 -7.728 43 HH21 ARG 6 1HH2 ARG 6 -2.811 -9.995 -4.238 44 HH22 ARG 6 2HH2 ARG 6 -3.492 -10.994 -5.451 45 H THR 7 H THR 7 3.573 -7.144 -6.213 46 HA THR 7 HA THR 7 4.394 -4.552 -7.167 47 HB THR 7 HB THR 7 6.215 -5.929 -8.227 48 HG1 THR 7 1HG THR 7 5.595 -7.981 -8.264 49 HG21 THR 7 3HG2 THR 7 6.525 -4.739 -6.133 50 HG22 THR 7 1HG2 THR 7 7.353 -6.294 -6.088 51 HG23 THR 7 2HG2 THR 7 5.817 -6.087 -5.244 52 H GLY 8 H GLY 8 1.937 -6.328 -8.054 53 HA2 GLY 8 2HA GLY 8 2.364 -5.764 -10.889 54 HA3 GLY 8 1HA GLY 8 1.832 -7.363 -10.384 55 H ARG 9 H ARG 9 -0.061 -7.298 -11.395 56 HA ARG 9 HA ARG 9 -1.940 -5.148 -10.826 57 HB2 ARG 9 2HB ARG 9 -3.273 -6.193 -12.671 58 HB3 ARG 9 1HB ARG 9 -1.679 -5.636 -13.165 59 HG2 ARG 9 2HG ARG 9 -0.850 -7.942 -12.971 60 HG3 ARG 9 1HG ARG 9 -2.480 -8.468 -12.555 61 HD2 ARG 9 2HD ARG 9 -3.292 -7.724 -14.709 62 HD3 ARG 9 1HD ARG 9 -1.698 -7.099 -15.132 63 HE ARG 9 HE ARG 9 -1.511 -9.818 -14.470 64 HH11 ARG 9 1HH1 ARG 9 -2.777 -7.773 -17.070 65 HH12 ARG 9 2HH1 ARG 9 -2.564 -8.924 -18.292 66 HH21 ARG 9 1HH2 ARG 9 -1.215 -11.427 -16.163 67 HH22 ARG 9 2HH2 ARG 9 -1.664 -11.067 -17.758 68 H CYS 10 H CYS 10 -4.361 -6.101 -10.664 69 HA CYS 10 HA CYS 10 -4.344 -8.582 -9.181 70 HB2 CYS 10 2HB CYS 10 -5.699 -7.493 -7.322 71 HB3 CYS 10 1HB CYS 10 -4.002 -7.063 -7.338 72 H ALA 11 H ALA 11 -6.527 -9.366 -8.735 73 HA ALA 11 HA ALA 11 -8.083 -9.049 -11.086 74 HB1 ALA 11 1HB ALA 11 -8.717 -10.644 -8.610 75 HB2 ALA 11 2HB ALA 11 -7.800 -11.229 -9.999 76 HB3 ALA 11 3HB ALA 11 -9.498 -10.797 -10.185 77 H THR 12 H THR 12 -8.683 -7.034 -11.096 78 HA THR 12 HA THR 12 -11.170 -6.303 -10.381 79 HB THR 12 HB THR 12 -10.497 -6.160 -7.997 80 HG1 THR 12 1HG THR 12 -11.477 -4.370 -7.655 81 HG21 THR 12 3HG2 THR 12 -8.090 -5.763 -8.245 82 HG22 THR 12 1HG2 THR 12 -8.816 -4.536 -7.207 83 HG23 THR 12 2HG2 THR 12 -8.411 -4.152 -8.881 84 H ARG 13 H ARG 13 -7.844 -5.273 -10.776 85 HA ARG 13 HA ARG 13 -6.773 -3.838 -12.066 86 HB2 ARG 13 2HB ARG 13 -9.029 -4.486 -13.906 87 HB3 ARG 13 1HB ARG 13 -7.680 -3.437 -14.356 88 HG2 ARG 13 2HG ARG 13 -7.451 -6.293 -13.461 89 HG3 ARG 13 1HG ARG 13 -7.410 -5.745 -15.136 90 HD2 ARG 13 2HD ARG 13 -5.422 -5.123 -12.943 91 HD3 ARG 13 1HD ARG 13 -5.147 -6.059 -14.397 92 HE ARG 13 HE ARG 13 -5.824 -3.187 -14.605 93 HH11 ARG 13 1HH1 ARG 13 -3.674 -5.823 -15.459 94 HH12 ARG 13 2HH1 ARG 13 -2.534 -4.823 -16.248 95 HH21 ARG 13 1HH2 ARG 13 -4.355 -1.866 -15.652 96 HH22 ARG 13 2HH2 ARG 13 -2.935 -2.492 -16.404 97 H GLU 14 H GLU 14 -6.285 -1.834 -12.182 98 HA GLU 14 HA GLU 14 -6.360 0.358 -12.188 99 HB2 GLU 14 2HB GLU 14 -9.007 -0.156 -13.470 100 HB3 GLU 14 1HB GLU 14 -8.537 1.488 -13.090 101 HG2 GLU 14 2HG GLU 14 -8.040 0.888 -15.414 102 HG3 GLU 14 1HG GLU 14 -6.583 1.298 -14.523 103 H SER 15 H SER 15 -7.801 -1.327 -10.004 104 HA SER 15 HA SER 15 -8.867 0.930 -8.500 105 HB2 SER 15 2HB SER 15 -9.994 -1.360 -8.416 106 HB3 SER 15 1HB SER 15 -8.549 -1.972 -7.612 107 HG SER 15 HG SER 15 -9.541 -1.351 -5.851 108 H LEU 16 H LEU 16 -6.149 0.638 -9.445 109 HA LEU 16 HA LEU 16 -4.382 0.305 -7.194 110 HB2 LEU 16 2HB LEU 16 -3.754 -0.168 -9.596 111 HB3 LEU 16 1HB LEU 16 -3.989 1.510 -9.970 112 HG LEU 16 HG LEU 16 -1.699 0.349 -8.311 113 HD11 LEU 16 1HD1 LEU 16 -1.625 -0.172 -10.651 114 HD12 LEU 16 2HD1 LEU 16 -0.383 0.998 -10.204 115 HD13 LEU 16 3HD1 LEU 16 -1.834 1.531 -11.050 116 HD21 LEU 16 3HD2 LEU 16 -2.167 3.187 -9.257 117 HD22 LEU 16 1HD2 LEU 16 -0.757 2.583 -8.390 118 HD23 LEU 16 2HD2 LEU 16 -2.325 2.661 -7.584 119 H SER 17 H SER 17 -4.032 1.814 -5.805 120 HA SER 17 HA SER 17 -5.224 4.450 -6.300 121 HB2 SER 17 2HB SER 17 -5.667 4.363 -3.851 122 HB3 SER 17 1HB SER 17 -6.522 3.166 -4.837 123 HG SER 17 HG SER 17 -5.512 2.365 -2.903 124 H GLY 18 H GLY 18 -2.329 2.834 -5.675 125 HA2 GLY 18 2HA GLY 18 -0.882 5.211 -5.406 126 HA3 GLY 18 1HA GLY 18 -1.062 4.434 -3.836 127 H VAL 19 H VAL 19 1.389 4.769 -4.998 128 HA VAL 19 HA VAL 19 2.139 1.986 -5.301 129 HB VAL 19 HB VAL 19 3.982 2.707 -6.866 130 HG11 VAL 19 1HG1 VAL 19 2.083 1.439 -7.691 131 HG12 VAL 19 2HG1 VAL 19 2.633 2.592 -8.888 132 HG13 VAL 19 3HG1 VAL 19 1.166 2.933 -7.947 133 HG21 VAL 19 3HG2 VAL 19 3.616 4.715 -8.221 134 HG22 VAL 19 1HG2 VAL 19 3.872 5.094 -6.517 135 HG23 VAL 19 2HG2 VAL 19 2.241 5.134 -7.195 136 H CYS 20 H CYS 20 4.212 1.540 -4.680 137 HA CYS 20 HA CYS 20 5.793 3.591 -3.484 138 HB2 CYS 20 2HB CYS 20 6.126 2.074 -1.416 139 HB3 CYS 20 1HB CYS 20 4.718 3.158 -1.398 140 H GLU 21 H GLU 21 7.678 3.325 -4.220 141 HA GLU 21 HA GLU 21 8.433 0.654 -4.979 142 HB2 GLU 21 2HB GLU 21 8.547 2.328 -6.704 143 HB3 GLU 21 1HB GLU 21 9.531 3.362 -5.733 144 HG2 GLU 21 2HG GLU 21 10.501 0.629 -6.497 145 HG3 GLU 21 1HG GLU 21 10.636 1.968 -7.620 146 H ILE 22 H ILE 22 9.788 -0.397 -3.954 147 HA ILE 22 HA ILE 22 11.188 0.880 -1.719 148 HB ILE 22 HB ILE 22 9.712 -1.775 -1.501 149 HG12 ILE 22 2HG1 ILE 22 8.824 0.938 -0.427 150 HG13 ILE 22 1HG1 ILE 22 8.167 0.173 -1.868 151 HG21 ILE 22 1HG2 ILE 22 10.095 -1.464 0.874 152 HG22 ILE 22 2HG2 ILE 22 11.015 0.007 0.523 153 HG23 ILE 22 3HG2 ILE 22 11.604 -1.553 -0.037 154 HD11 ILE 22 3HD1 ILE 22 6.784 -0.128 0.072 155 HD12 ILE 22 1HD1 ILE 22 8.137 -0.941 0.874 156 HD13 ILE 22 2HD1 ILE 22 7.414 -1.654 -0.580 157 H SER 23 H SER 23 13.164 0.384 -1.782 158 HA SER 23 HA SER 23 15.202 -0.405 -2.404 159 HB2 SER 23 2HB SER 23 15.558 -2.860 -1.956 160 HB3 SER 23 1HB SER 23 14.757 -1.995 -0.651 161 HG SER 23 HG SER 23 12.877 -2.885 -2.263 162 H GLY 24 H GLY 24 13.426 0.045 -4.705 163 HA2 GLY 24 2HA GLY 24 14.130 -0.030 -6.921 164 HA3 GLY 24 1HA GLY 24 15.000 -1.518 -6.592 165 H ARG 25 H ARG 25 12.049 -1.900 -5.183 166 HA ARG 25 HA ARG 25 11.003 -3.224 -7.587 167 HB2 ARG 25 2HB ARG 25 11.769 -4.562 -5.520 168 HB3 ARG 25 1HB ARG 25 10.371 -3.877 -4.712 169 HG2 ARG 25 2HG ARG 25 8.918 -4.899 -6.371 170 HG3 ARG 25 1HG ARG 25 10.353 -5.553 -7.174 171 HD2 ARG 25 2HD ARG 25 10.924 -6.747 -5.057 172 HD3 ARG 25 1HD ARG 25 9.386 -6.206 -4.387 173 HE ARG 25 HE ARG 25 9.407 -7.726 -6.867 174 HH11 ARG 25 1HH1 ARG 25 8.537 -7.588 -3.415 175 HH12 ARG 25 2HH1 ARG 25 7.680 -9.037 -3.416 176 HH21 ARG 25 1HH2 ARG 25 8.196 -9.735 -6.871 177 HH22 ARG 25 2HH2 ARG 25 7.466 -10.298 -5.438 178 H LEU 26 H LEU 26 8.860 -2.646 -8.198 179 HA LEU 26 HA LEU 26 7.826 -0.288 -6.808 180 HB2 LEU 26 2HB LEU 26 8.080 -0.744 -9.456 181 HB3 LEU 26 1HB LEU 26 6.489 -1.443 -9.191 182 HG LEU 26 HG LEU 26 5.932 0.637 -9.866 183 HD11 LEU 26 1HD1 LEU 26 5.120 1.963 -8.194 184 HD12 LEU 26 2HD1 LEU 26 6.032 1.052 -6.986 185 HD13 LEU 26 3HD1 LEU 26 4.764 0.243 -7.956 186 HD21 LEU 26 3HD2 LEU 26 8.336 1.708 -8.428 187 HD22 LEU 26 1HD2 LEU 26 7.111 2.725 -9.210 188 HD23 LEU 26 2HD2 LEU 26 8.059 1.592 -10.157 189 H TYR 27 H TYR 27 6.323 -0.634 -5.296 190 HA TYR 27 HA TYR 27 4.564 -2.938 -5.474 191 HB2 TYR 27 2HB TYR 27 5.477 -1.140 -3.297 192 HB3 TYR 27 1HB TYR 27 4.085 -2.106 -2.953 193 HD1 TYR 27 1HD TYR 27 4.380 -4.640 -3.019 194 HD2 TYR 27 2HD TYR 27 7.677 -1.966 -3.286 195 HE1 TYR 27 1HE TYR 27 5.911 -6.480 -2.464 196 HE2 TYR 27 2HE TYR 27 9.215 -3.803 -2.719 197 HH TYR 27 HH TYR 27 9.208 -5.969 -1.697 198 H ARG 28 H ARG 28 2.547 -2.704 -5.989 199 HA ARG 28 HA ARG 28 1.370 -0.034 -6.231 200 HB2 ARG 28 2HB ARG 28 0.695 -2.682 -7.450 201 HB3 ARG 28 1HB ARG 28 -0.447 -1.352 -7.433 202 HG2 ARG 28 2HG ARG 28 0.937 -0.034 -8.757 203 HG3 ARG 28 1HG ARG 28 2.289 -1.143 -8.621 204 HD2 ARG 28 2HD ARG 28 0.920 -2.861 -9.757 205 HD3 ARG 28 1HD ARG 28 -0.367 -1.687 -9.914 206 HE ARG 28 HE ARG 28 0.883 -0.485 -11.464 207 HH11 ARG 28 1HH1 ARG 28 2.667 -3.281 -10.323 208 HH12 ARG 28 2HH1 ARG 28 3.573 -3.476 -11.762 209 HH21 ARG 28 1HH2 ARG 28 2.140 -0.715 -13.421 210 HH22 ARG 28 2HH2 ARG 28 3.270 -1.987 -13.552 211 H LEU 29 H LEU 29 -0.441 0.445 -5.231 212 HA LEU 29 HA LEU 29 -1.394 -1.455 -3.243 213 HB2 LEU 29 2HB LEU 29 -1.888 1.507 -3.453 214 HB3 LEU 29 1HB LEU 29 -2.281 0.458 -2.114 215 HG LEU 29 HG LEU 29 0.484 1.224 -2.999 216 HD11 LEU 29 1HD1 LEU 29 -0.617 3.028 -1.870 217 HD12 LEU 29 2HD1 LEU 29 0.600 2.295 -0.804 218 HD13 LEU 29 3HD1 LEU 29 -1.106 1.948 -0.561 219 HD21 LEU 29 3HD2 LEU 29 0.505 -1.038 -2.186 220 HD22 LEU 29 1HD2 LEU 29 -0.417 -0.533 -0.746 221 HD23 LEU 29 2HD2 LEU 29 1.217 0.080 -1.012 222 H CYS 30 H CYS 30 -2.996 -2.561 -4.244 223 HA CYS 30 HA CYS 30 -5.017 -0.835 -5.370 224 HB2 CYS 30 2HB CYS 30 -5.811 -2.726 -6.811 225 HB3 CYS 30 1HB CYS 30 -4.141 -2.300 -7.136 226 H CYS 31 H CYS 31 -6.937 -0.883 -4.511 227 HA CYS 31 HA CYS 31 -7.001 -2.490 -2.062 228 HB2 CYS 31 2HB CYS 31 -6.533 0.003 -1.868 229 HB3 CYS 31 1HB CYS 31 -8.158 0.255 -2.466 230 H ARG 32 H ARG 32 -9.162 -2.993 -1.263 231 HA ARG 32 HA ARG 32 -11.147 -3.015 -3.424 232 HB2 ARG 32 2HB ARG 32 -11.871 -5.213 -2.765 233 HB3 ARG 32 1HB ARG 32 -10.138 -5.264 -3.056 234 HG2 ARG 32 2HG ARG 32 -9.786 -5.142 -0.605 235 HG3 ARG 32 1HG ARG 32 -11.536 -5.220 -0.387 236 HD2 ARG 32 2HD ARG 32 -9.714 -7.324 -1.557 237 HD3 ARG 32 1HD ARG 32 -10.659 -7.425 -0.078 238 HE ARG 32 HE ARG 32 -12.022 -7.104 -2.640 239 HH11 ARG 32 1HH1 ARG 32 -11.429 -9.137 0.236 240 HH12 ARG 32 2HH1 ARG 32 -12.526 -10.340 -0.228 241 HH21 ARG 32 1HH2 ARG 32 -13.517 -8.796 -3.267 242 HH22 ARG 32 2HH2 ARG 32 -13.753 -10.145 -2.262 243 H1 ALA 101 H ALA 101 -8.749 5.971 -6.305 244 HA ALA 101 HA ALA 101 -9.591 6.419 -3.648 245 HB1 ALA 101 1HB ALA 101 -8.441 3.718 -4.391 246 HB2 ALA 101 2HB ALA 101 -10.056 4.007 -3.743 247 HB3 ALA 101 3HB ALA 101 -8.635 4.321 -2.750 248 H THR 102 H THR 102 -7.677 6.713 -2.292 249 HA THR 102 HA THR 102 -5.154 6.587 -3.692 250 HB THR 102 HB THR 102 -6.131 9.026 -2.183 251 HG1 THR 102 1HG THR 102 -6.347 8.351 -4.740 252 HG21 THR 102 3HG2 THR 102 -3.751 8.615 -1.764 253 HG22 THR 102 1HG2 THR 102 -3.967 10.040 -2.782 254 HG23 THR 102 2HG2 THR 102 -3.452 8.512 -3.503 255 H CYS 103 H CYS 103 -3.958 5.316 -2.609 256 HA CYS 103 HA CYS 103 -4.187 5.278 0.315 257 HB2 CYS 103 2HB CYS 103 -3.431 2.949 -1.480 258 HB3 CYS 103 1HB CYS 103 -3.700 2.899 0.250 259 H TYR 104 H TYR 104 -2.002 4.525 1.289 260 HA TYR 104 HA TYR 104 0.231 4.864 -0.391 261 HB2 TYR 104 2HB TYR 104 1.192 6.802 0.981 262 HB3 TYR 104 1HB TYR 104 -0.064 7.194 -0.181 263 HD1 TYR 104 2HD TYR 104 -2.323 7.787 0.605 264 HD2 TYR 104 1HD TYR 104 0.866 7.146 3.343 265 HE1 TYR 104 2HE TYR 104 -3.610 8.934 2.341 266 HE2 TYR 104 1HE TYR 104 -0.411 8.300 5.095 267 HH TYR 104 HH TYR 104 -2.214 9.963 5.235 268 H CYS 105 H CYS 105 2.183 4.306 0.503 269 HA CYS 105 HA CYS 105 1.822 2.319 2.557 270 HB2 CYS 105 2HB CYS 105 4.310 2.887 0.887 271 HB3 CYS 105 1HB CYS 105 3.876 1.427 1.774 272 H ARG 106 H ARG 106 1.950 3.232 4.596 273 HA ARG 106 HA ARG 106 4.306 4.865 5.070 274 HB2 ARG 106 2HB ARG 106 3.125 5.879 7.054 275 HB3 ARG 106 1HB ARG 106 2.631 6.434 5.483 276 HG2 ARG 106 2HG ARG 106 0.684 6.239 6.728 277 HG3 ARG 106 1HG ARG 106 0.705 4.806 5.706 278 HD2 ARG 106 2HD ARG 106 1.447 3.471 7.604 279 HD3 ARG 106 1HD ARG 106 1.494 4.905 8.632 280 HE ARG 106 HE ARG 106 -1.023 4.511 7.356 281 HH11 ARG 106 1HH1 ARG 106 0.753 3.622 10.360 282 HH12 ARG 106 2HH1 ARG 106 -0.656 3.325 11.220 283 HH21 ARG 106 1HH2 ARG 106 -2.938 4.072 8.670 284 HH22 ARG 106 2HH2 ARG 106 -2.748 3.537 10.273 285 H THR 107 H THR 107 5.534 4.635 6.719 286 HA THR 107 HA THR 107 5.611 1.892 7.556 287 HB THR 107 HB THR 107 7.945 2.480 8.177 288 HG1 THR 107 1HG THR 107 7.962 4.647 8.464 289 HG21 THR 107 3HG2 THR 107 8.621 2.669 5.832 290 HG22 THR 107 1HG2 THR 107 6.978 3.130 5.399 291 HG23 THR 107 2HG2 THR 107 7.298 1.515 6.027 292 H GLY 108 H GLY 108 4.321 4.526 8.873 293 HA2 GLY 108 2HA GLY 108 4.743 3.463 11.553 294 HA3 GLY 108 1HA GLY 108 5.048 5.175 11.274 295 H ARG 109 H ARG 109 3.356 6.521 10.676 296 HA ARG 109 HA ARG 109 0.740 5.365 11.066 297 HB2 ARG 109 2HB ARG 109 0.101 7.304 12.450 298 HB3 ARG 109 1HB ARG 109 1.359 6.332 13.213 299 HG2 ARG 109 2HG ARG 109 3.037 7.931 12.575 300 HG3 ARG 109 1HG ARG 109 1.852 8.856 11.655 301 HD2 ARG 109 2HD ARG 109 0.638 9.376 13.703 302 HD3 ARG 109 1HD ARG 109 1.779 8.406 14.640 303 HE ARG 109 HE ARG 109 3.412 10.134 13.485 304 HH11 ARG 109 1HH1 ARG 109 0.296 10.804 15.052 305 HH12 ARG 109 2HH1 ARG 109 0.778 12.282 15.711 306 HH21 ARG 109 1HH2 ARG 109 4.076 12.187 14.389 307 HH22 ARG 109 2HH2 ARG 109 2.991 13.093 15.335 308 H CYS 110 H CYS 110 -0.951 7.373 10.528 309 HA CYS 110 HA CYS 110 0.228 9.267 8.785 310 HB2 CYS 110 2HB CYS 110 -1.728 8.877 7.151 311 HB3 CYS 110 1HB CYS 110 -0.444 7.703 7.063 312 H ALA 111 H ALA 111 -1.571 10.935 8.247 313 HA ALA 111 HA ALA 111 -2.478 11.803 10.791 314 HB1 ALA 111 1HB ALA 111 -3.348 13.738 9.592 315 HB2 ALA 111 2HB ALA 111 -3.091 12.911 8.053 316 HB3 ALA 111 3HB ALA 111 -1.710 13.358 9.054 317 H THR 112 H THR 112 -3.754 9.715 8.563 318 HA THR 112 HA THR 112 -6.365 9.992 9.765 319 HB THR 112 HB THR 112 -6.506 10.066 7.338 320 HG1 THR 112 1HG THR 112 -8.122 8.817 7.249 321 HG21 THR 112 3HG2 THR 112 -4.417 8.966 6.752 322 HG22 THR 112 1HG2 THR 112 -5.747 8.162 5.910 323 HG23 THR 112 2HG2 THR 112 -5.007 7.444 7.359 324 H ARG 113 H ARG 113 -5.603 9.126 11.680 325 HA ARG 113 HA ARG 113 -4.257 6.686 11.936 326 HB2 ARG 113 2HB ARG 113 -5.880 8.316 13.843 327 HB3 ARG 113 1HB ARG 113 -5.162 6.756 14.269 328 HG2 ARG 113 2HG ARG 113 -3.556 9.081 13.260 329 HG3 ARG 113 1HG ARG 113 -3.882 8.800 14.973 330 HD2 ARG 113 2HD ARG 113 -2.409 6.975 13.069 331 HD3 ARG 113 1HD ARG 113 -1.746 7.841 14.451 332 HE ARG 113 HE ARG 113 -3.803 5.739 14.784 333 HH11 ARG 113 1HH1 ARG 113 -0.733 7.146 15.855 334 HH12 ARG 113 2HH1 ARG 113 -0.461 5.916 16.995 335 HH21 ARG 113 1HH2 ARG 113 -3.454 4.185 16.274 336 HH22 ARG 113 2HH2 ARG 113 -2.059 4.155 17.280 337 H GLU 114 H GLU 114 -4.886 4.669 12.420 338 HA GLU 114 HA GLU 114 -6.043 2.834 12.469 339 HB2 GLU 114 2HB GLU 114 -8.165 4.670 13.499 340 HB3 GLU 114 1HB GLU 114 -8.506 2.964 13.254 341 HG2 GLU 114 2HG GLU 114 -7.914 3.478 15.576 342 HG3 GLU 114 1HG GLU 114 -6.781 2.356 14.846 343 H SER 115 H SER 115 -6.373 4.833 10.044 344 HA SER 115 HA SER 115 -8.426 3.284 8.674 345 HB2 SER 115 2HB SER 115 -8.239 5.800 8.364 346 HB3 SER 115 1HB SER 115 -6.683 5.535 7.584 347 HG SER 115 HG SER 115 -8.086 5.584 5.911 348 H LEU 116 H LEU 116 -6.107 2.016 9.667 349 HA LEU 116 HA LEU 116 -4.273 1.467 7.513 350 HB2 LEU 116 2HB LEU 116 -3.638 1.446 9.988 351 HB3 LEU 116 1HB LEU 116 -4.688 0.085 10.205 352 HG LEU 116 HG LEU 116 -2.032 0.029 8.677 353 HD11 LEU 116 1HD1 LEU 116 -2.838 -1.060 11.333 354 HD12 LEU 116 2HD1 LEU 116 -1.802 0.339 11.048 355 HD13 LEU 116 3HD1 LEU 116 -1.281 -1.265 10.528 356 HD21 LEU 116 3HD2 LEU 116 -2.367 -2.380 8.653 357 HD22 LEU 116 1HD2 LEU 116 -3.701 -1.609 7.796 358 HD23 LEU 116 2HD2 LEU 116 -3.930 -2.203 9.439 359 H SER 117 H SER 117 -4.660 0.115 6.025 360 HA SER 117 HA SER 117 -7.020 -1.628 6.225 361 HB2 SER 117 2HB SER 117 -7.228 -1.154 3.795 362 HB3 SER 117 1HB SER 117 -7.439 0.242 4.859 363 HG SER 117 HG SER 117 -6.008 0.358 2.903 364 H GLY 118 H GLY 118 -3.683 -1.651 5.919 365 HA2 GLY 118 2HA GLY 118 -3.565 -4.393 5.390 366 HA3 GLY 118 1HA GLY 118 -3.174 -3.492 3.927 367 H VAL 119 H VAL 119 -1.316 -5.126 5.164 368 HA VAL 119 HA VAL 119 0.692 -3.139 5.752 369 HB VAL 119 HB VAL 119 1.755 -4.725 7.441 370 HG11 VAL 119 1HG1 VAL 119 -0.804 -3.346 8.180 371 HG12 VAL 119 2HG1 VAL 119 0.835 -2.647 8.151 372 HG13 VAL 119 3HG1 VAL 119 0.427 -3.882 9.327 373 HG21 VAL 119 3HG2 VAL 119 0.400 -6.688 6.995 374 HG22 VAL 119 1HG2 VAL 119 -1.045 -5.829 7.527 375 HG23 VAL 119 2HG2 VAL 119 0.235 -6.198 8.686 376 H CYS 120 H CYS 120 2.704 -3.681 5.233 377 HA CYS 120 HA CYS 120 3.341 -6.292 4.244 378 HB2 CYS 120 2HB CYS 120 4.338 -5.199 2.138 379 HB3 CYS 120 1HB CYS 120 2.580 -5.451 2.128 380 H GLU 121 H GLU 121 5.196 -6.735 5.208 381 HA GLU 121 HA GLU 121 6.897 -4.483 5.941 382 HB2 GLU 121 2HB GLU 121 6.331 -6.173 7.697 383 HB3 GLU 121 1HB GLU 121 7.128 -7.395 6.735 384 HG2 GLU 121 2HG GLU 121 9.227 -6.097 6.861 385 HG3 GLU 121 1HG GLU 121 8.434 -4.957 7.921 386 H ILE 122 H ILE 122 8.358 -3.974 4.587 387 HA ILE 122 HA ILE 122 9.494 -6.034 2.828 388 HB ILE 122 HB ILE 122 8.820 -3.183 1.972 389 HG12 ILE 122 2HG1 ILE 122 7.257 -5.738 1.405 390 HG13 ILE 122 1HG1 ILE 122 6.776 -4.474 2.529 391 HG21 ILE 122 1HG2 ILE 122 9.599 -5.635 0.412 392 HG22 ILE 122 2HG2 ILE 122 10.638 -4.251 0.755 393 HG23 ILE 122 3HG2 ILE 122 9.208 -4.051 -0.261 394 HD11 ILE 122 3HD1 ILE 122 7.171 -4.096 -0.401 395 HD12 ILE 122 1HD1 ILE 122 6.588 -2.903 0.752 396 HD13 ILE 122 2HD1 ILE 122 5.611 -4.338 0.401 397 H SER 123 H SER 123 11.650 -5.894 2.661 398 HA SER 123 HA SER 123 13.773 -5.470 3.266 399 HB2 SER 123 2HB SER 123 14.543 -3.065 2.917 400 HB3 SER 123 1HB SER 123 13.681 -3.768 1.553 401 HG SER 123 HG SER 123 11.931 -2.608 3.160 402 H GLY 124 H GLY 124 11.984 -5.727 5.450 403 HA2 GLY 124 2HA GLY 124 12.318 -5.813 7.742 404 HA3 GLY 124 1HA GLY 124 13.703 -4.750 7.553 405 H ARG 125 H ARG 125 11.303 -3.240 5.980 406 HA ARG 125 HA ARG 125 10.703 -1.549 8.294 407 HB2 ARG 125 2HB ARG 125 11.983 -0.729 6.242 408 HB3 ARG 125 1HB ARG 125 10.509 -0.979 5.337 409 HG2 ARG 125 2HG ARG 125 9.384 0.689 6.688 410 HG3 ARG 125 1HG ARG 125 10.865 0.891 7.640 411 HD2 ARG 125 2HD ARG 125 12.076 1.547 5.603 412 HD3 ARG 125 1HD ARG 125 10.584 1.410 4.679 413 HE ARG 125 HE ARG 125 10.521 3.199 6.937 414 HH11 ARG 125 1HH1 ARG 125 10.852 2.875 3.430 415 HH12 ARG 125 2HH1 ARG 125 10.723 4.533 3.096 416 HH21 ARG 125 1HH2 ARG 125 10.270 5.499 6.480 417 HH22 ARG 125 2HH2 ARG 125 10.383 6.073 4.880 418 H LEU 126 H LEU 126 8.430 -1.188 8.769 419 HA LEU 126 HA LEU 126 6.706 -3.139 7.459 420 HB2 LEU 126 2HB LEU 126 6.936 -2.504 10.094 421 HB3 LEU 126 1HB LEU 126 5.678 -1.386 9.605 422 HG LEU 126 HG LEU 126 4.440 -3.109 10.372 423 HD11 LEU 126 1HD1 LEU 126 3.383 -4.295 8.620 424 HD12 LEU 126 2HD1 LEU 126 4.712 -3.883 7.545 425 HD13 LEU 126 3HD1 LEU 126 3.671 -2.592 8.193 426 HD21 LEU 126 3HD2 LEU 126 4.925 -5.515 9.985 427 HD22 LEU 126 1HD2 LEU 126 6.167 -4.659 10.910 428 HD23 LEU 126 2HD2 LEU 126 6.442 -5.001 9.218 429 H TYR 127 H TYR 127 5.516 -2.421 5.808 430 HA TYR 127 HA TYR 127 4.869 0.386 5.644 431 HB2 TYR 127 2HB TYR 127 5.052 -1.858 3.701 432 HB3 TYR 127 1HB TYR 127 4.224 -0.438 3.165 433 HD1 TYR 127 1HD TYR 127 5.569 1.726 3.032 434 HD2 TYR 127 2HD TYR 127 7.412 -2.030 3.838 435 HE1 TYR 127 1HE TYR 127 7.761 2.680 2.449 436 HE2 TYR 127 2HE TYR 127 9.613 -1.072 3.237 437 HH TYR 127 HH TYR 127 10.592 0.765 2.046 438 H ARG 128 H ARG 128 3.083 0.833 6.654 439 HA ARG 128 HA ARG 128 0.781 -0.954 6.649 440 HB2 ARG 128 2HB ARG 128 1.410 1.637 8.007 441 HB3 ARG 128 1HB ARG 128 -0.211 0.954 8.030 442 HG2 ARG 128 2HG ARG 128 0.511 -0.871 9.258 443 HG3 ARG 128 1HG ARG 128 2.204 -0.505 8.996 444 HD2 ARG 128 2HD ARG 128 1.790 1.674 10.240 445 HD3 ARG 128 1HD ARG 128 0.206 1.122 10.533 446 HE ARG 128 HE ARG 128 0.937 -0.590 11.939 447 HH11 ARG 128 1HH1 ARG 128 3.665 1.334 10.773 448 HH12 ARG 128 2HH1 ARG 128 4.702 0.911 12.046 449 HH21 ARG 128 1HH2 ARG 128 2.328 -1.155 13.690 450 HH22 ARG 128 2HH2 ARG 128 3.931 -0.565 13.753 451 H LEU 129 H LEU 129 -1.007 -0.495 5.564 452 HA LEU 129 HA LEU 129 -0.798 1.683 3.637 453 HB2 LEU 129 2HB LEU 129 -2.689 -0.663 3.667 454 HB3 LEU 129 1HB LEU 129 -2.412 0.462 2.355 455 HG LEU 129 HG LEU 129 -0.488 -1.609 3.378 456 HD11 LEU 129 1HD1 LEU 129 -2.001 -1.378 0.800 457 HD12 LEU 129 2HD1 LEU 129 -2.232 -2.595 2.067 458 HD13 LEU 129 3HD1 LEU 129 -0.729 -2.543 1.134 459 HD21 LEU 129 3HD2 LEU 129 0.903 -0.979 1.512 460 HD22 LEU 129 1HD2 LEU 129 0.751 0.345 2.682 461 HD23 LEU 129 2HD2 LEU 129 -0.179 0.367 1.156 462 H CYS 130 H CYS 130 -1.944 3.414 4.132 463 HA CYS 130 HA CYS 130 -4.566 2.934 5.226 464 HB2 CYS 130 2HB CYS 130 -4.441 5.192 6.419 465 HB3 CYS 130 1HB CYS 130 -3.400 3.928 7.073 466 H CYS 131 H CYS 131 -6.197 4.296 4.423 467 HA CYS 131 HA CYS 131 -5.307 5.480 1.911 468 HB2 CYS 131 2HB CYS 131 -5.874 3.048 1.729 469 HB3 CYS 131 1HB CYS 131 -7.517 3.480 2.175 470 H ARG 132 H ARG 132 -6.759 6.919 0.998 471 HA ARG 132 HA ARG 132 -8.808 7.756 2.823 472 HB2 ARG 132 2HB ARG 132 -8.809 9.917 1.340 473 HB3 ARG 132 1HB ARG 132 -7.574 9.685 2.561 474 HG2 ARG 132 2HG ARG 132 -6.027 9.934 1.061 475 HG3 ARG 132 1HG ARG 132 -6.631 8.575 0.131 476 HD2 ARG 132 2HD ARG 132 -7.721 11.387 -0.104 477 HD3 ARG 132 1HD ARG 132 -6.482 10.732 -1.168 478 HE ARG 132 HE ARG 132 -8.869 9.143 -0.967 479 HH11 ARG 132 1HH1 ARG 132 -7.293 11.758 -2.757 480 HH12 ARG 132 2HH1 ARG 132 -8.212 11.547 -4.166 481 HH21 ARG 132 1HH2 ARG 132 -10.161 8.851 -2.933 482 HH22 ARG 132 2HH2 ARG 132 -9.896 9.852 -4.267 Start of MODEL 11 1 H1 ALA 1 1HT ALA 1 -12.323 -1.717 4.936 2 H2 ALA 1 2HT ALA 1 -12.389 -0.028 5.102 3 H3 ALA 1 3HT ALA 1 -11.164 -0.930 5.845 4 HA ALA 1 HA ALA 1 -11.506 -0.783 2.937 5 HB1 ALA 1 2HB ALA 1 -9.457 0.589 2.983 6 HB2 ALA 1 3HB ALA 1 -9.491 0.571 4.740 7 HB3 ALA 1 1HB ALA 1 -10.776 1.378 3.850 8 H THR 2 H THR 2 -10.249 -2.252 1.858 9 HA THR 2 HA THR 2 -8.274 -3.724 3.446 10 HB THR 2 HB THR 2 -10.211 -4.877 1.421 11 HG1 THR 2 1HG THR 2 -10.084 -4.761 4.199 12 HG21 THR 2 3HG2 THR 2 -8.081 -6.241 3.089 13 HG22 THR 2 1HG2 THR 2 -8.022 -6.002 1.342 14 HG23 THR 2 2HG2 THR 2 -9.248 -7.057 2.049 15 H CYS 3 H CYS 3 -6.362 -3.232 2.611 16 HA CYS 3 HA CYS 3 -6.146 -2.881 -0.299 17 HB2 CYS 3 2HB CYS 3 -4.468 -1.525 1.827 18 HB3 CYS 3 1HB CYS 3 -4.425 -1.221 0.104 19 H TYR 4 H TYR 4 -3.760 -3.328 -0.979 20 HA TYR 4 HA TYR 4 -2.209 -4.889 0.760 21 HB2 TYR 4 2HB TYR 4 -2.239 -6.981 -0.693 22 HB3 TYR 4 1HB TYR 4 -3.658 -6.714 0.302 23 HD1 TYR 4 2HD TYR 4 -5.786 -6.011 -0.766 24 HD2 TYR 4 1HD TYR 4 -2.382 -7.062 -3.091 25 HE1 TYR 4 2HE TYR 4 -7.234 -6.307 -2.719 26 HE2 TYR 4 1HE TYR 4 -3.826 -7.366 -5.062 27 HH TYR 4 HH TYR 4 -7.004 -6.255 -5.159 28 H CYS 5 H CYS 5 -0.149 -4.920 0.226 29 HA CYS 5 HA CYS 5 0.668 -3.193 -1.923 30 HB2 CYS 5 2HB CYS 5 2.439 -4.811 -0.069 31 HB3 CYS 5 1HB CYS 5 2.813 -3.349 -0.972 32 H ARG 6 H ARG 6 1.061 -4.077 -3.969 33 HA ARG 6 HA ARG 6 2.413 -6.647 -3.980 34 HB2 ARG 6 2HB ARG 6 1.078 -7.565 -5.760 35 HB3 ARG 6 1HB ARG 6 0.083 -7.218 -4.380 36 HG2 ARG 6 2HG ARG 6 -0.787 -5.208 -5.517 37 HG3 ARG 6 1HG ARG 6 0.233 -5.587 -6.913 38 HD2 ARG 6 2HD ARG 6 -1.942 -7.269 -5.732 39 HD3 ARG 6 1HD ARG 6 -1.963 -6.410 -7.286 40 HE ARG 6 HE ARG 6 0.103 -7.998 -7.667 41 HH11 ARG 6 1HH1 ARG 6 -2.969 -8.854 -6.111 42 HH12 ARG 6 2HH1 ARG 6 -2.940 -10.462 -6.671 43 HH21 ARG 6 1HH2 ARG 6 0.125 -10.207 -8.414 44 HH22 ARG 6 2HH2 ARG 6 -1.137 -11.252 -8.006 45 H THR 7 H THR 7 3.368 -7.173 -6.091 46 HA THR 7 HA THR 7 4.686 -4.755 -6.961 47 HB THR 7 HB THR 7 6.319 -6.410 -7.970 48 HG1 THR 7 1HG THR 7 5.800 -8.458 -7.831 49 HG21 THR 7 3HG2 THR 7 7.324 -6.889 -5.785 50 HG22 THR 7 1HG2 THR 7 5.800 -6.476 -5.001 51 HG23 THR 7 2HG2 THR 7 6.708 -5.236 -5.865 52 H GLY 8 H GLY 8 2.068 -6.217 -7.996 53 HA2 GLY 8 2HA GLY 8 2.612 -5.425 -10.740 54 HA3 GLY 8 1HA GLY 8 2.101 -7.091 -10.479 55 H ARG 9 H ARG 9 0.239 -6.861 -11.570 56 HA ARG 9 HA ARG 9 -1.683 -4.888 -10.623 57 HB2 ARG 9 2HB ARG 9 -3.017 -5.642 -12.603 58 HB3 ARG 9 1HB ARG 9 -1.478 -4.882 -12.975 59 HG2 ARG 9 2HG ARG 9 -0.480 -7.046 -13.356 60 HG3 ARG 9 1HG ARG 9 -2.003 -7.841 -12.938 61 HD2 ARG 9 2HD ARG 9 -1.607 -7.686 -15.359 62 HD3 ARG 9 1HD ARG 9 -3.074 -6.840 -14.861 63 HE ARG 9 HE ARG 9 -1.320 -4.853 -14.853 64 HH11 ARG 9 1HH1 ARG 9 -1.801 -7.381 -17.271 65 HH12 ARG 9 2HH1 ARG 9 -1.354 -6.399 -18.586 66 HH21 ARG 9 1HH2 ARG 9 -0.733 -3.516 -16.593 67 HH22 ARG 9 2HH2 ARG 9 -0.716 -4.112 -18.190 68 H CYS 10 H CYS 10 -3.943 -5.641 -10.311 69 HA CYS 10 HA CYS 10 -4.069 -8.353 -9.262 70 HB2 CYS 10 2HB CYS 10 -5.591 -7.345 -7.462 71 HB3 CYS 10 1HB CYS 10 -3.898 -6.918 -7.290 72 H ALA 11 H ALA 11 -6.560 -8.920 -8.970 73 HA ALA 11 HA ALA 11 -7.526 -8.807 -11.642 74 HB1 ALA 11 1HB ALA 11 -9.380 -10.172 -10.829 75 HB2 ALA 11 2HB ALA 11 -8.921 -9.824 -9.160 76 HB3 ALA 11 3HB ALA 11 -7.847 -10.769 -10.192 77 H THR 12 H THR 12 -8.303 -7.095 -8.720 78 HA THR 12 HA THR 12 -10.336 -5.604 -10.089 79 HB THR 12 HB THR 12 -10.578 -5.765 -7.652 80 HG1 THR 12 1HG THR 12 -9.821 -3.186 -7.520 81 HG21 THR 12 3HG2 THR 12 -8.220 -6.095 -7.016 82 HG22 THR 12 1HG2 THR 12 -8.943 -4.797 -6.060 83 HG23 THR 12 2HG2 THR 12 -7.873 -4.430 -7.421 84 H ARG 13 H ARG 13 -9.356 -4.846 -11.950 85 HA ARG 13 HA ARG 13 -6.697 -3.756 -11.776 86 HB2 ARG 13 2HB ARG 13 -7.871 -5.027 -13.792 87 HB3 ARG 13 1HB ARG 13 -8.358 -3.392 -14.236 88 HG2 ARG 13 2HG ARG 13 -6.365 -3.584 -15.387 89 HG3 ARG 13 1HG ARG 13 -5.830 -2.866 -13.857 90 HD2 ARG 13 2HD ARG 13 -4.307 -4.628 -14.249 91 HD3 ARG 13 1HD ARG 13 -5.400 -5.235 -13.036 92 HE ARG 13 HE ARG 13 -6.035 -5.800 -15.825 93 HH11 ARG 13 1HH1 ARG 13 -5.136 -7.170 -12.676 94 HH12 ARG 13 2HH1 ARG 13 -5.094 -8.775 -13.269 95 HH21 ARG 13 1HH2 ARG 13 -5.953 -8.013 -16.564 96 HH22 ARG 13 2HH2 ARG 13 -5.577 -9.256 -15.469 97 H GLU 14 H GLU 14 -6.141 -1.543 -12.381 98 HA GLU 14 HA GLU 14 -6.299 0.694 -12.354 99 HB2 GLU 14 2HB GLU 14 -8.057 0.401 -14.105 100 HB3 GLU 14 1HB GLU 14 -9.267 0.281 -12.840 101 HG2 GLU 14 2HG GLU 14 -8.805 2.577 -12.172 102 HG3 GLU 14 1HG GLU 14 -7.573 2.696 -13.425 103 H SER 15 H SER 15 -7.042 -1.164 -10.092 104 HA SER 15 HA SER 15 -8.342 0.651 -8.243 105 HB2 SER 15 2HB SER 15 -8.957 -1.724 -8.256 106 HB3 SER 15 1HB SER 15 -7.292 -2.182 -7.954 107 HG SER 15 HG SER 15 -9.114 -0.866 -6.224 108 H LEU 16 H LEU 16 -5.570 0.733 -9.580 109 HA LEU 16 HA LEU 16 -3.715 0.682 -7.396 110 HB2 LEU 16 2HB LEU 16 -3.110 0.199 -9.823 111 HB3 LEU 16 1HB LEU 16 -3.431 1.870 -10.177 112 HG LEU 16 HG LEU 16 -1.161 0.864 -8.428 113 HD11 LEU 16 1HD1 LEU 16 -1.191 1.970 -11.212 114 HD12 LEU 16 2HD1 LEU 16 -0.914 0.288 -10.759 115 HD13 LEU 16 3HD1 LEU 16 0.244 1.534 -10.284 116 HD21 LEU 16 3HD2 LEU 16 -1.840 3.130 -7.770 117 HD22 LEU 16 1HD2 LEU 16 -1.786 3.639 -9.462 118 HD23 LEU 16 2HD2 LEU 16 -0.307 3.163 -8.652 119 H SER 17 H SER 17 -3.766 2.107 -6.028 120 HA SER 17 HA SER 17 -5.017 4.746 -6.530 121 HB2 SER 17 2HB SER 17 -5.571 4.590 -4.112 122 HB3 SER 17 1HB SER 17 -6.304 3.336 -5.119 123 HG SER 17 HG SER 17 -4.949 1.867 -4.346 124 H GLY 18 H GLY 18 -2.159 3.163 -5.756 125 HA2 GLY 18 2HA GLY 18 -0.698 5.500 -5.399 126 HA3 GLY 18 1HA GLY 18 -0.985 4.706 -3.849 127 H VAL 19 H VAL 19 1.566 4.947 -4.884 128 HA VAL 19 HA VAL 19 2.205 2.135 -5.167 129 HB VAL 19 HB VAL 19 4.000 2.592 -6.781 130 HG11 VAL 19 1HG1 VAL 19 2.683 2.874 -8.799 131 HG12 VAL 19 2HG1 VAL 19 1.340 3.455 -7.810 132 HG13 VAL 19 3HG1 VAL 19 1.897 1.780 -7.650 133 HG21 VAL 19 3HG2 VAL 19 4.421 4.926 -6.343 134 HG22 VAL 19 1HG2 VAL 19 2.832 5.359 -6.979 135 HG23 VAL 19 2HG2 VAL 19 4.058 4.689 -8.054 136 H CYS 20 H CYS 20 4.319 1.682 -4.578 137 HA CYS 20 HA CYS 20 5.895 3.779 -3.444 138 HB2 CYS 20 2HB CYS 20 6.340 2.235 -1.422 139 HB3 CYS 20 1HB CYS 20 4.881 3.241 -1.336 140 H GLU 21 H GLU 21 7.905 3.513 -3.992 141 HA GLU 21 HA GLU 21 8.565 0.903 -5.020 142 HB2 GLU 21 2HB GLU 21 8.890 2.703 -6.595 143 HB3 GLU 21 1HB GLU 21 9.867 3.594 -5.463 144 HG2 GLU 21 2HG GLU 21 10.685 0.878 -6.424 145 HG3 GLU 21 1HG GLU 21 11.012 2.297 -7.393 146 H ILE 22 H ILE 22 9.731 -0.326 -4.011 147 HA ILE 22 HA ILE 22 11.269 0.646 -1.720 148 HB ILE 22 HB ILE 22 9.370 -1.748 -1.549 149 HG12 ILE 22 2HG1 ILE 22 9.010 1.049 -0.374 150 HG13 ILE 22 1HG1 ILE 22 8.171 0.426 -1.778 151 HG21 ILE 22 1HG2 ILE 22 9.862 -1.653 0.795 152 HG22 ILE 22 2HG2 ILE 22 10.959 -0.302 0.513 153 HG23 ILE 22 3HG2 ILE 22 11.336 -1.892 -0.151 154 HD11 ILE 22 3HD1 ILE 22 8.064 -0.770 0.939 155 HD12 ILE 22 1HD1 ILE 22 7.143 -1.269 -0.477 156 HD13 ILE 22 2HD1 ILE 22 6.843 0.322 0.254 157 H SER 23 H SER 23 13.165 -0.219 -1.734 158 HA SER 23 HA SER 23 15.045 -1.314 -2.343 159 HB2 SER 23 2HB SER 23 14.949 -3.839 -2.304 160 HB3 SER 23 1HB SER 23 14.195 -3.083 -0.906 161 HG SER 23 HG SER 23 12.321 -3.378 -2.739 162 H GLY 24 H GLY 24 13.532 -0.136 -4.541 163 HA2 GLY 24 2HA GLY 24 13.888 0.072 -6.771 164 HA3 GLY 24 1HA GLY 24 14.976 -1.306 -6.719 165 H ARG 25 H ARG 25 11.842 -1.658 -5.406 166 HA ARG 25 HA ARG 25 10.969 -3.148 -7.751 167 HB2 ARG 25 2HB ARG 25 11.894 -4.471 -5.801 168 HB3 ARG 25 1HB ARG 25 10.603 -3.800 -4.837 169 HG2 ARG 25 2HG ARG 25 8.967 -4.896 -6.242 170 HG3 ARG 25 1HG ARG 25 10.306 -5.497 -7.248 171 HD2 ARG 25 2HD ARG 25 11.248 -6.664 -5.311 172 HD3 ARG 25 1HD ARG 25 9.915 -6.080 -4.321 173 HE ARG 25 HE ARG 25 9.119 -7.587 -6.615 174 HH11 ARG 25 1HH1 ARG 25 10.097 -7.727 -3.234 175 HH12 ARG 25 2HH1 ARG 25 9.391 -9.224 -2.896 176 HH21 ARG 25 1HH2 ARG 25 8.072 -9.693 -6.181 177 HH22 ARG 25 2HH2 ARG 25 8.201 -10.378 -4.632 178 H LEU 26 H LEU 26 8.745 -2.725 -8.203 179 HA LEU 26 HA LEU 26 7.744 -0.436 -6.738 180 HB2 LEU 26 2HB LEU 26 7.728 -1.099 -9.432 181 HB3 LEU 26 1HB LEU 26 6.071 -1.335 -8.910 182 HG LEU 26 HG LEU 26 6.134 0.867 -9.691 183 HD11 LEU 26 1HD1 LEU 26 5.665 2.250 -7.869 184 HD12 LEU 26 2HD1 LEU 26 6.408 1.106 -6.767 185 HD13 LEU 26 3HD1 LEU 26 4.942 0.639 -7.677 186 HD21 LEU 26 3HD2 LEU 26 7.805 2.506 -9.023 187 HD22 LEU 26 1HD2 LEU 26 8.544 1.127 -9.833 188 HD23 LEU 26 2HD2 LEU 26 8.640 1.261 -8.083 189 H TYR 27 H TYR 27 6.174 -0.522 -5.380 190 HA TYR 27 HA TYR 27 4.464 -2.856 -5.279 191 HB2 TYR 27 2HB TYR 27 5.503 -0.950 -3.252 192 HB3 TYR 27 1HB TYR 27 4.137 -1.918 -2.804 193 HD1 TYR 27 1HD TYR 27 4.442 -4.448 -2.839 194 HD2 TYR 27 2HD TYR 27 7.705 -1.756 -3.261 195 HE1 TYR 27 1HE TYR 27 6.001 -6.260 -2.285 196 HE2 TYR 27 2HE TYR 27 9.280 -3.577 -2.686 197 HH TYR 27 HH TYR 27 9.348 -5.709 -1.654 198 H ARG 28 H ARG 28 2.573 -2.524 -6.027 199 HA ARG 28 HA ARG 28 1.426 0.169 -6.219 200 HB2 ARG 28 2HB ARG 28 0.633 -2.460 -7.426 201 HB3 ARG 28 1HB ARG 28 -0.323 -0.997 -7.565 202 HG2 ARG 28 2HG ARG 28 1.323 0.061 -8.839 203 HG3 ARG 28 1HG ARG 28 2.508 -1.199 -8.510 204 HD2 ARG 28 2HD ARG 28 1.020 -2.802 -9.617 205 HD3 ARG 28 1HD ARG 28 -0.072 -1.517 -10.040 206 HE ARG 28 HE ARG 28 1.386 -0.771 -11.633 207 HH11 ARG 28 1HH1 ARG 28 2.944 -3.179 -9.650 208 HH12 ARG 28 2HH1 ARG 28 4.102 -3.676 -10.794 209 HH21 ARG 28 1HH2 ARG 28 2.995 -1.373 -13.281 210 HH22 ARG 28 2HH2 ARG 28 4.125 -2.596 -12.911 211 H LEU 29 H LEU 29 -0.447 0.634 -5.263 212 HA LEU 29 HA LEU 29 -1.358 -1.299 -3.282 213 HB2 LEU 29 2HB LEU 29 -1.805 1.663 -3.416 214 HB3 LEU 29 1HB LEU 29 -2.216 0.587 -2.093 215 HG LEU 29 HG LEU 29 0.555 1.286 -3.013 216 HD11 LEU 29 1HD1 LEU 29 -0.488 3.093 -1.855 217 HD12 LEU 29 2HD1 LEU 29 0.724 2.331 -0.809 218 HD13 LEU 29 3HD1 LEU 29 -0.986 2.017 -0.552 219 HD21 LEU 29 3HD2 LEU 29 1.321 0.040 -1.116 220 HD22 LEU 29 1HD2 LEU 29 0.443 -1.004 -2.234 221 HD23 LEU 29 2HD2 LEU 29 -0.336 -0.449 -0.731 222 H CYS 30 H CYS 30 -2.971 -2.403 -4.193 223 HA CYS 30 HA CYS 30 -5.047 -0.709 -5.224 224 HB2 CYS 30 2HB CYS 30 -5.937 -2.695 -6.554 225 HB3 CYS 30 1HB CYS 30 -4.323 -2.159 -7.019 226 H CYS 31 H CYS 31 -7.179 -1.006 -4.487 227 HA CYS 31 HA CYS 31 -7.236 -2.465 -1.967 228 HB2 CYS 31 2HB CYS 31 -6.179 -0.207 -1.614 229 HB3 CYS 31 1HB CYS 31 -7.685 0.497 -2.157 230 H ARG 32 H ARG 32 -9.321 -2.543 -1.042 231 HA ARG 32 HA ARG 32 -11.531 -1.836 -2.842 232 HB2 ARG 32 2HB ARG 32 -12.551 -4.006 -2.448 233 HB3 ARG 32 1HB ARG 32 -10.944 -4.224 -3.129 234 HG2 ARG 32 2HG ARG 32 -10.111 -4.600 -0.799 235 HG3 ARG 32 1HG ARG 32 -11.794 -4.598 -0.270 236 HD2 ARG 32 2HD ARG 32 -10.467 -6.514 -2.182 237 HD3 ARG 32 1HD ARG 32 -11.063 -6.840 -0.558 238 HE ARG 32 HE ARG 32 -13.116 -5.890 -2.319 239 HH11 ARG 32 1HH1 ARG 32 -11.380 -8.795 -1.272 240 HH12 ARG 32 2HH1 ARG 32 -12.570 -9.867 -1.839 241 HH21 ARG 32 1HH2 ARG 32 -14.711 -7.333 -3.086 242 HH22 ARG 32 2HH2 ARG 32 -14.554 -9.020 -2.897 243 H1 ALA 101 H ALA 101 -9.414 5.856 -6.084 244 HA ALA 101 HA ALA 101 -9.843 5.576 -3.267 245 HB1 ALA 101 1HB ALA 101 -8.435 3.397 -4.825 246 HB2 ALA 101 2HB ALA 101 -9.983 3.222 -4.007 247 HB3 ALA 101 3HB ALA 101 -8.515 3.511 -3.071 248 H THR 102 H THR 102 -8.013 6.274 -2.136 249 HA THR 102 HA THR 102 -5.558 6.612 -3.670 250 HB THR 102 HB THR 102 -6.745 8.689 -1.809 251 HG1 THR 102 1HG THR 102 -7.321 8.206 -4.248 252 HG21 THR 102 3HG2 THR 102 -4.212 8.696 -3.465 253 HG22 THR 102 1HG2 THR 102 -4.300 8.626 -1.705 254 HG23 THR 102 2HG2 THR 102 -4.839 10.074 -2.562 255 H CYS 103 H CYS 103 -4.148 5.335 -2.680 256 HA CYS 103 HA CYS 103 -4.250 5.151 0.252 257 HB2 CYS 103 2HB CYS 103 -3.379 2.964 -1.656 258 HB3 CYS 103 1HB CYS 103 -3.582 2.831 0.076 259 H TYR 104 H TYR 104 -2.000 4.531 1.127 260 HA TYR 104 HA TYR 104 0.190 4.889 -0.600 261 HB2 TYR 104 2HB TYR 104 1.176 6.848 0.688 262 HB3 TYR 104 1HB TYR 104 -0.165 7.233 -0.372 263 HD1 TYR 104 2HD TYR 104 -2.307 7.901 0.544 264 HD2 TYR 104 1HD TYR 104 0.983 7.025 3.091 265 HE1 TYR 104 2HE TYR 104 -3.472 9.006 2.373 266 HE2 TYR 104 1HE TYR 104 -0.137 8.113 4.953 267 HH TYR 104 HH TYR 104 -3.458 8.950 4.834 268 H CYS 105 H CYS 105 2.109 4.228 0.232 269 HA CYS 105 HA CYS 105 1.823 2.325 2.359 270 HB2 CYS 105 2HB CYS 105 4.316 3.050 0.761 271 HB3 CYS 105 1HB CYS 105 4.009 1.596 1.718 272 H ARG 106 H ARG 106 2.029 2.939 4.396 273 HA ARG 106 HA ARG 106 3.528 5.375 5.014 274 HB2 ARG 106 2HB ARG 106 2.267 3.755 7.178 275 HB3 ARG 106 1HB ARG 106 2.457 5.491 6.991 276 HG2 ARG 106 2HG ARG 106 0.705 5.466 5.300 277 HG3 ARG 106 1HG ARG 106 0.433 3.760 5.687 278 HD2 ARG 106 2HD ARG 106 0.335 6.056 7.571 279 HD3 ARG 106 1HD ARG 106 -1.086 5.201 6.945 280 HE ARG 106 HE ARG 106 0.922 3.829 8.605 281 HH11 ARG 106 1HH1 ARG 106 -2.370 5.048 8.255 282 HH12 ARG 106 2HH1 ARG 106 -2.921 4.408 9.733 283 HH21 ARG 106 1HH2 ARG 106 0.172 3.093 10.748 284 HH22 ARG 106 2HH2 ARG 106 -1.445 3.315 11.184 285 H THR 107 H THR 107 5.201 5.307 6.520 286 HA THR 107 HA THR 107 6.360 2.662 6.833 287 HB THR 107 HB THR 107 8.464 3.952 7.272 288 HG1 THR 107 1HG THR 107 8.236 6.000 7.614 289 HG21 THR 107 3HG2 THR 107 7.888 3.073 5.068 290 HG22 THR 107 1HG2 THR 107 8.776 4.592 4.934 291 HG23 THR 107 2HG2 THR 107 7.025 4.563 4.696 292 H GLY 108 H GLY 108 4.233 4.203 8.325 293 HA2 GLY 108 2HA GLY 108 4.664 3.243 10.869 294 HA3 GLY 108 1HA GLY 108 5.069 4.963 10.845 295 H ARG 109 H ARG 109 3.508 6.426 10.705 296 HA ARG 109 HA ARG 109 0.698 5.457 10.796 297 HB2 ARG 109 2HB ARG 109 0.293 7.237 12.387 298 HB3 ARG 109 1HB ARG 109 1.505 6.121 12.984 299 HG2 ARG 109 2HG ARG 109 3.228 7.762 12.133 300 HG3 ARG 109 1HG ARG 109 1.896 8.896 11.906 301 HD2 ARG 109 2HD ARG 109 2.882 9.345 14.051 302 HD3 ARG 109 1HD ARG 109 1.319 8.570 14.313 303 HE ARG 109 HE ARG 109 3.492 6.721 14.213 304 HH11 ARG 109 1HH1 ARG 109 1.584 8.772 16.369 305 HH12 ARG 109 2HH1 ARG 109 2.114 8.007 17.790 306 HH21 ARG 109 1HH2 ARG 109 4.234 5.691 16.162 307 HH22 ARG 109 2HH2 ARG 109 3.642 6.231 17.678 308 H CYS 110 H CYS 110 -0.857 7.213 10.272 309 HA CYS 110 HA CYS 110 0.247 9.279 8.526 310 HB2 CYS 110 2HB CYS 110 -1.643 8.975 6.860 311 HB3 CYS 110 1HB CYS 110 -0.593 7.584 6.883 312 H ALA 111 H ALA 111 -1.393 11.016 8.104 313 HA ALA 111 HA ALA 111 -2.363 11.775 10.657 314 HB1 ALA 111 1HB ALA 111 -2.970 13.875 9.631 315 HB2 ALA 111 2HB ALA 111 -2.740 13.182 8.026 316 HB3 ALA 111 3HB ALA 111 -1.358 13.387 9.101 317 H THR 112 H THR 112 -3.830 10.075 10.994 318 HA THR 112 HA THR 112 -6.433 10.830 11.045 319 HB THR 112 HB THR 112 -6.565 10.570 8.581 320 HG1 THR 112 1HG THR 112 -8.425 10.099 9.694 321 HG21 THR 112 3HG2 THR 112 -4.847 8.849 8.244 322 HG22 THR 112 1HG2 THR 112 -6.366 8.344 7.506 323 HG23 THR 112 2HG2 THR 112 -5.863 7.659 9.050 324 H ARG 113 H ARG 113 -4.302 8.012 10.673 325 HA ARG 113 HA ARG 113 -4.192 5.983 11.635 326 HB2 ARG 113 2HB ARG 113 -5.111 7.603 13.993 327 HB3 ARG 113 1HB ARG 113 -4.885 5.871 14.155 328 HG2 ARG 113 2HG ARG 113 -2.954 7.052 14.996 329 HG3 ARG 113 1HG ARG 113 -2.509 6.156 13.550 330 HD2 ARG 113 2HD ARG 113 -1.510 8.357 13.590 331 HD3 ARG 113 1HD ARG 113 -2.595 8.163 12.245 332 HE ARG 113 HE ARG 113 -4.161 9.209 14.271 333 HH11 ARG 113 1HH1 ARG 113 -1.326 10.402 12.489 334 HH12 ARG 113 2HH1 ARG 113 -1.773 12.026 12.660 335 HH21 ARG 113 1HH2 ARG 113 -4.762 11.416 14.406 336 HH22 ARG 113 2HH2 ARG 113 -3.775 12.627 13.749 337 H GLU 114 H GLU 114 -5.644 4.472 13.373 338 HA GLU 114 HA GLU 114 -7.339 3.088 13.571 339 HB2 GLU 114 2HB GLU 114 -8.779 5.020 14.004 340 HB3 GLU 114 1HB GLU 114 -9.019 5.249 12.279 341 HG2 GLU 114 2HG GLU 114 -10.174 3.129 12.122 342 HG3 GLU 114 1HG GLU 114 -9.883 2.814 13.828 343 H SER 115 H SER 115 -7.584 4.620 10.420 344 HA SER 115 HA SER 115 -8.477 2.213 9.188 345 HB2 SER 115 2HB SER 115 -9.290 4.376 8.377 346 HB3 SER 115 1HB SER 115 -7.653 4.861 7.966 347 HG SER 115 HG SER 115 -9.259 3.801 6.338 348 H LEU 116 H LEU 116 -6.657 0.978 9.934 349 HA LEU 116 HA LEU 116 -4.456 1.158 8.025 350 HB2 LEU 116 2HB LEU 116 -3.824 0.852 10.450 351 HB3 LEU 116 1HB LEU 116 -4.762 -0.619 10.504 352 HG LEU 116 HG LEU 116 -2.135 -0.267 8.958 353 HD11 LEU 116 1HD1 LEU 116 -1.858 -0.148 11.331 354 HD12 LEU 116 2HD1 LEU 116 -1.227 -1.650 10.655 355 HD13 LEU 116 3HD1 LEU 116 -2.765 -1.650 11.521 356 HD21 LEU 116 3HD2 LEU 116 -3.601 -1.969 7.933 357 HD22 LEU 116 1HD2 LEU 116 -3.867 -2.676 9.528 358 HD23 LEU 116 2HD2 LEU 116 -2.272 -2.718 8.830 359 H SER 117 H SER 117 -4.736 0.100 6.298 360 HA SER 117 HA SER 117 -6.938 -1.836 6.234 361 HB2 SER 117 2HB SER 117 -7.161 -1.096 3.855 362 HB3 SER 117 1HB SER 117 -7.506 0.131 5.076 363 HG SER 117 HG SER 117 -5.942 0.427 3.117 364 H GLY 118 H GLY 118 -3.649 -1.665 6.016 365 HA2 GLY 118 2HA GLY 118 -3.442 -4.333 5.236 366 HA3 GLY 118 1HA GLY 118 -3.020 -3.293 3.879 367 H VAL 119 H VAL 119 -1.241 -5.004 5.031 368 HA VAL 119 HA VAL 119 0.783 -3.113 5.825 369 HB VAL 119 HB VAL 119 1.738 -4.850 7.469 370 HG11 VAL 119 1HG1 VAL 119 -0.705 -3.264 8.117 371 HG12 VAL 119 2HG1 VAL 119 0.984 -2.735 8.255 372 HG13 VAL 119 3HG1 VAL 119 0.348 -3.976 9.339 373 HG21 VAL 119 3HG2 VAL 119 0.070 -6.217 8.644 374 HG22 VAL 119 1HG2 VAL 119 0.241 -6.683 6.945 375 HG23 VAL 119 2HG2 VAL 119 -1.140 -5.710 7.459 376 H CYS 120 H CYS 120 2.721 -3.569 5.185 377 HA CYS 120 HA CYS 120 3.332 -6.176 4.137 378 HB2 CYS 120 2HB CYS 120 4.393 -5.001 2.115 379 HB3 CYS 120 1HB CYS 120 2.643 -5.266 2.052 380 H GLU 121 H GLU 121 5.122 -6.728 5.097 381 HA GLU 121 HA GLU 121 6.897 -4.570 5.815 382 HB2 GLU 121 2HB GLU 121 6.256 -6.007 7.643 383 HB3 GLU 121 1HB GLU 121 6.751 -7.422 6.774 384 HG2 GLU 121 2HG GLU 121 8.751 -5.292 7.425 385 HG3 GLU 121 1HG GLU 121 8.291 -6.470 8.641 386 H ILE 122 H ILE 122 8.574 -4.211 4.824 387 HA ILE 122 HA ILE 122 9.604 -6.191 2.931 388 HB ILE 122 HB ILE 122 9.190 -3.277 2.098 389 HG12 ILE 122 2HG1 ILE 122 7.352 -5.643 1.458 390 HG13 ILE 122 1HG1 ILE 122 6.992 -4.360 2.603 391 HG21 ILE 122 1HG2 ILE 122 10.916 -4.522 0.951 392 HG22 ILE 122 2HG2 ILE 122 9.552 -4.160 -0.110 393 HG23 ILE 122 3HG2 ILE 122 9.752 -5.785 0.549 394 HD11 ILE 122 3HD1 ILE 122 7.514 -3.964 -0.293 395 HD12 ILE 122 1HD1 ILE 122 7.027 -2.752 0.887 396 HD13 ILE 122 2HD1 ILE 122 5.914 -4.064 0.469 397 H SER 123 H SER 123 11.694 -6.223 2.963 398 HA SER 123 HA SER 123 13.824 -6.027 3.643 399 HB2 SER 123 2HB SER 123 14.917 -3.815 3.275 400 HB3 SER 123 1HB SER 123 13.858 -4.256 1.946 401 HG SER 123 HG SER 123 12.328 -2.917 3.513 402 H GLY 124 H GLY 124 11.829 -6.039 5.834 403 HA2 GLY 124 2HA GLY 124 12.156 -6.139 8.100 404 HA3 GLY 124 1HA GLY 124 13.671 -5.269 7.902 405 H ARG 125 H ARG 125 11.050 -3.786 6.351 406 HA ARG 125 HA ARG 125 10.722 -1.902 8.566 407 HB2 ARG 125 2HB ARG 125 12.130 -1.176 6.589 408 HB3 ARG 125 1HB ARG 125 10.705 -1.376 5.595 409 HG2 ARG 125 2HG ARG 125 9.577 0.376 6.853 410 HG3 ARG 125 1HG ARG 125 11.021 0.481 7.886 411 HD2 ARG 125 2HD ARG 125 12.379 1.068 5.940 412 HD3 ARG 125 1HD ARG 125 10.955 0.985 4.910 413 HE ARG 125 HE ARG 125 10.818 2.839 7.105 414 HH11 ARG 125 1HH1 ARG 125 11.475 2.366 3.654 415 HH12 ARG 125 2HH1 ARG 125 11.480 3.998 3.228 416 HH21 ARG 125 1HH2 ARG 125 10.833 5.172 6.560 417 HH22 ARG 125 2HH2 ARG 125 11.096 5.650 4.949 418 H LEU 126 H LEU 126 8.487 -1.405 8.990 419 HA LEU 126 HA LEU 126 6.670 -3.177 7.582 420 HB2 LEU 126 2HB LEU 126 6.881 -2.629 10.226 421 HB3 LEU 126 1HB LEU 126 5.709 -1.416 9.753 422 HG LEU 126 HG LEU 126 4.335 -3.098 10.425 423 HD11 LEU 126 1HD1 LEU 126 3.598 -2.455 8.321 424 HD12 LEU 126 2HD1 LEU 126 3.259 -4.162 8.643 425 HD13 LEU 126 3HD1 LEU 126 4.576 -3.723 7.556 426 HD21 LEU 126 3HD2 LEU 126 5.934 -4.781 10.965 427 HD22 LEU 126 1HD2 LEU 126 6.256 -5.086 9.261 428 HD23 LEU 126 2HD2 LEU 126 4.692 -5.510 9.948 429 H TYR 127 H TYR 127 5.613 -2.375 5.918 430 HA TYR 127 HA TYR 127 5.027 0.448 5.766 431 HB2 TYR 127 2HB TYR 127 5.107 -1.808 3.811 432 HB3 TYR 127 1HB TYR 127 4.490 -0.284 3.275 433 HD1 TYR 127 1HD TYR 127 6.148 1.742 3.545 434 HD2 TYR 127 2HD TYR 127 7.356 -2.330 3.731 435 HE1 TYR 127 1HE TYR 127 8.466 2.409 3.054 436 HE2 TYR 127 2HE TYR 127 9.685 -1.657 3.227 437 HH TYR 127 HH TYR 127 10.895 0.210 2.196 438 H ARG 128 H ARG 128 3.175 0.954 6.563 439 HA ARG 128 HA ARG 128 0.906 -0.932 6.625 440 HB2 ARG 128 2HB ARG 128 1.383 1.707 7.960 441 HB3 ARG 128 1HB ARG 128 -0.211 0.981 7.895 442 HG2 ARG 128 2HG ARG 128 0.435 -0.812 9.174 443 HG3 ARG 128 1HG ARG 128 2.143 -0.476 9.044 444 HD2 ARG 128 2HD ARG 128 1.647 1.722 10.228 445 HD3 ARG 128 1HD ARG 128 0.045 1.162 10.426 446 HE ARG 128 HE ARG 128 0.727 -0.536 11.872 447 HH11 ARG 128 1HH1 ARG 128 3.462 1.454 10.874 448 HH12 ARG 128 2HH1 ARG 128 4.410 1.099 12.246 449 HH21 ARG 128 1HH2 ARG 128 2.003 -1.002 13.760 450 HH22 ARG 128 2HH2 ARG 128 3.558 -0.339 13.920 451 H LEU 129 H LEU 129 -1.086 -0.354 5.801 452 HA LEU 129 HA LEU 129 -0.924 1.756 3.785 453 HB2 LEU 129 2HB LEU 129 -2.692 -0.687 3.799 454 HB3 LEU 129 1HB LEU 129 -2.527 0.490 2.505 455 HG LEU 129 HG LEU 129 -0.463 -1.509 3.406 456 HD11 LEU 129 1HD1 LEU 129 -0.711 -2.407 1.157 457 HD12 LEU 129 2HD1 LEU 129 -2.022 -1.271 0.851 458 HD13 LEU 129 3HD1 LEU 129 -2.203 -2.519 2.091 459 HD21 LEU 129 3HD2 LEU 129 0.689 0.499 2.769 460 HD22 LEU 129 1HD2 LEU 129 -0.291 0.601 1.282 461 HD23 LEU 129 2HD2 LEU 129 0.838 -0.740 1.517 462 H CYS 130 H CYS 130 -2.172 3.448 4.253 463 HA CYS 130 HA CYS 130 -4.756 2.882 5.457 464 HB2 CYS 130 2HB CYS 130 -4.717 5.190 6.556 465 HB3 CYS 130 1HB CYS 130 -3.397 4.171 7.121 466 H CYS 131 H CYS 131 -6.468 4.035 4.463 467 HA CYS 131 HA CYS 131 -5.579 5.268 1.992 468 HB2 CYS 131 2HB CYS 131 -5.724 2.821 1.661 469 HB3 CYS 131 1HB CYS 131 -7.427 2.903 2.084 470 H ARG 132 H ARG 132 -7.180 6.375 0.892 471 HA ARG 132 HA ARG 132 -9.620 6.853 2.372 472 HB2 ARG 132 2HB ARG 132 -9.551 9.211 1.577 473 HB3 ARG 132 1HB ARG 132 -8.165 8.819 2.579 474 HG2 ARG 132 2HG ARG 132 -6.749 8.651 0.630 475 HG3 ARG 132 1HG ARG 132 -8.153 8.900 -0.412 476 HD2 ARG 132 2HD ARG 132 -7.025 10.883 1.555 477 HD3 ARG 132 1HD ARG 132 -6.870 10.933 -0.204 478 HE ARG 132 HE ARG 132 -9.389 11.211 1.285 479 HH11 ARG 132 1HH1 ARG 132 -7.429 11.931 -1.581 480 HH12 ARG 132 2HH1 ARG 132 -8.593 12.916 -2.314 481 HH21 ARG 132 1HH2 ARG 132 -10.983 12.615 0.290 482 HH22 ARG 132 2HH2 ARG 132 -10.652 13.325 -1.221 Start of MODEL 12 1 H1 ALA 1 1HT ALA 1 -12.383 -2.053 4.526 2 H2 ALA 1 2HT ALA 1 -12.638 -0.391 4.538 3 H3 ALA 1 3HT ALA 1 -11.471 -1.074 5.549 4 HA ALA 1 HA ALA 1 -11.403 -1.046 2.598 5 HB1 ALA 1 2HB ALA 1 -10.973 1.172 3.599 6 HB2 ALA 1 3HB ALA 1 -9.531 0.497 2.839 7 HB3 ALA 1 1HB ALA 1 -9.700 0.468 4.590 8 H THR 2 H THR 2 -10.354 -2.809 1.866 9 HA THR 2 HA THR 2 -8.151 -3.851 3.499 10 HB THR 2 HB THR 2 -9.882 -5.328 1.486 11 HG1 THR 2 1HG THR 2 -10.064 -5.005 4.251 12 HG21 THR 2 3HG2 THR 2 -8.724 -7.344 2.315 13 HG22 THR 2 1HG2 THR 2 -7.702 -6.331 3.332 14 HG23 THR 2 2HG2 THR 2 -7.604 -6.205 1.575 15 H CYS 3 H CYS 3 -6.306 -3.206 2.583 16 HA CYS 3 HA CYS 3 -6.191 -3.063 -0.354 17 HB2 CYS 3 2HB CYS 3 -4.615 -1.353 1.597 18 HB3 CYS 3 1HB CYS 3 -4.640 -1.198 -0.145 19 H TYR 4 H TYR 4 -3.790 -3.426 -1.096 20 HA TYR 4 HA TYR 4 -2.146 -4.702 0.784 21 HB2 TYR 4 2HB TYR 4 -2.004 -6.897 -0.497 22 HB3 TYR 4 1HB TYR 4 -3.435 -6.658 0.484 23 HD1 TYR 4 1HD TYR 4 -2.141 -6.760 -2.970 24 HD2 TYR 4 2HD TYR 4 -5.605 -6.635 -0.518 25 HE1 TYR 4 1HE TYR 4 -3.524 -7.366 -4.904 26 HE2 TYR 4 2HE TYR 4 -7.002 -7.231 -2.442 27 HH TYR 4 HH TYR 4 -6.863 -7.075 -4.921 28 H CYS 5 H CYS 5 -0.073 -5.256 0.008 29 HA CYS 5 HA CYS 5 0.735 -3.303 -2.005 30 HB2 CYS 5 2HB CYS 5 2.527 -4.855 -0.116 31 HB3 CYS 5 1HB CYS 5 2.832 -3.351 -0.985 32 H ARG 6 H ARG 6 1.190 -4.177 -4.046 33 HA ARG 6 HA ARG 6 2.696 -6.667 -4.053 34 HB2 ARG 6 2HB ARG 6 1.494 -7.490 -6.048 35 HB3 ARG 6 1HB ARG 6 0.575 -7.523 -4.565 36 HG2 ARG 6 2HG ARG 6 -0.683 -5.557 -5.290 37 HG3 ARG 6 1HG ARG 6 0.305 -5.460 -6.745 38 HD2 ARG 6 2HD ARG 6 -1.824 -6.570 -7.126 39 HD3 ARG 6 1HD ARG 6 -0.447 -7.601 -7.481 40 HE ARG 6 HE ARG 6 -1.483 -7.901 -4.809 41 HH11 ARG 6 1HH1 ARG 6 -1.636 -9.128 -8.142 42 HH12 ARG 6 2HH1 ARG 6 -2.359 -10.602 -7.668 43 HH21 ARG 6 1HH2 ARG 6 -2.465 -9.951 -4.230 44 HH22 ARG 6 2HH2 ARG 6 -2.843 -11.073 -5.446 45 H THR 7 H THR 7 3.554 -7.204 -6.325 46 HA THR 7 HA THR 7 5.126 -4.885 -6.976 47 HB THR 7 HB THR 7 6.494 -6.543 -8.219 48 HG1 THR 7 1HG THR 7 5.111 -8.102 -8.843 49 HG21 THR 7 3HG2 THR 7 6.904 -6.129 -5.832 50 HG22 THR 7 1HG2 THR 7 7.227 -7.810 -6.262 51 HG23 THR 7 2HG2 THR 7 5.735 -7.383 -5.424 52 H GLY 8 H GLY 8 2.342 -6.378 -8.192 53 HA2 GLY 8 2HA GLY 8 2.681 -4.972 -10.703 54 HA3 GLY 8 1HA GLY 8 2.428 -6.706 -10.772 55 H ARG 9 H ARG 9 0.495 -7.068 -11.377 56 HA ARG 9 HA ARG 9 -1.616 -5.188 -10.722 57 HB2 ARG 9 2HB ARG 9 -2.869 -6.344 -12.534 58 HB3 ARG 9 1HB ARG 9 -1.354 -5.626 -13.068 59 HG2 ARG 9 2HG ARG 9 -0.276 -7.809 -12.926 60 HG3 ARG 9 1HG ARG 9 -1.808 -8.526 -12.429 61 HD2 ARG 9 2HD ARG 9 -2.796 -7.900 -14.559 62 HD3 ARG 9 1HD ARG 9 -1.296 -7.104 -15.031 63 HE ARG 9 HE ARG 9 -0.736 -9.739 -14.336 64 HH11 ARG 9 1HH1 ARG 9 -2.490 -8.026 -16.889 65 HH12 ARG 9 2HH1 ARG 9 -2.107 -9.151 -18.101 66 HH21 ARG 9 1HH2 ARG 9 -0.203 -11.275 -16.007 67 HH22 ARG 9 2HH2 ARG 9 -0.802 -11.053 -17.588 68 H CYS 10 H CYS 10 -3.866 -6.302 -10.449 69 HA CYS 10 HA CYS 10 -3.649 -8.794 -8.979 70 HB2 CYS 10 2HB CYS 10 -5.268 -7.784 -7.287 71 HB3 CYS 10 1HB CYS 10 -3.628 -7.179 -7.178 72 H ALA 11 H ALA 11 -5.788 -9.816 -8.668 73 HA ALA 11 HA ALA 11 -7.193 -9.716 -11.138 74 HB1 ALA 11 1HB ALA 11 -8.507 -11.583 -10.274 75 HB2 ALA 11 2HB ALA 11 -7.798 -11.359 -8.676 76 HB3 ALA 11 3HB ALA 11 -6.786 -11.866 -10.027 77 H THR 12 H THR 12 -7.850 -7.617 -11.033 78 HA THR 12 HA THR 12 -10.503 -7.260 -10.741 79 HB THR 12 HB THR 12 -10.220 -7.307 -8.265 80 HG1 THR 12 1HG THR 12 -11.789 -5.982 -9.229 81 HG21 THR 12 3HG2 THR 12 -7.932 -6.424 -8.060 82 HG22 THR 12 1HG2 THR 12 -9.051 -5.478 -7.075 83 HG23 THR 12 2HG2 THR 12 -8.479 -4.847 -8.620 84 H ARG 13 H ARG 13 -7.355 -5.643 -10.430 85 HA ARG 13 HA ARG 13 -6.402 -3.843 -11.436 86 HB2 ARG 13 2HB ARG 13 -8.506 -4.348 -13.555 87 HB3 ARG 13 1HB ARG 13 -7.163 -3.223 -13.714 88 HG2 ARG 13 2HG ARG 13 -6.876 -6.190 -13.325 89 HG3 ARG 13 1HG ARG 13 -6.833 -5.369 -14.884 90 HD2 ARG 13 2HD ARG 13 -4.926 -4.967 -12.583 91 HD3 ARG 13 1HD ARG 13 -4.577 -5.797 -14.092 92 HE ARG 13 HE ARG 13 -5.229 -2.922 -13.950 93 HH11 ARG 13 1HH1 ARG 13 -3.355 -5.543 -15.388 94 HH12 ARG 13 2HH1 ARG 13 -2.299 -4.524 -16.249 95 HH21 ARG 13 1HH2 ARG 13 -3.847 -1.515 -15.147 96 HH22 ARG 13 2HH2 ARG 13 -2.593 -2.138 -16.106 97 H GLU 14 H GLU 14 -7.008 -1.580 -12.505 98 HA GLU 14 HA GLU 14 -8.008 0.414 -12.487 99 HB2 GLU 14 2HB GLU 14 -10.041 -0.715 -13.205 100 HB3 GLU 14 1HB GLU 14 -10.456 -1.084 -11.543 101 HG2 GLU 14 2HG GLU 14 -10.768 1.262 -11.066 102 HG3 GLU 14 1HG GLU 14 -10.244 1.682 -12.695 103 H SER 15 H SER 15 -8.804 -1.353 -9.577 104 HA SER 15 HA SER 15 -9.050 0.893 -7.883 105 HB2 SER 15 2HB SER 15 -8.672 -2.030 -7.276 106 HB3 SER 15 1HB SER 15 -9.258 -0.796 -6.153 107 HG SER 15 HG SER 15 -10.920 -0.387 -7.700 108 H LEU 16 H LEU 16 -6.391 0.545 -9.322 109 HA LEU 16 HA LEU 16 -4.497 0.202 -7.158 110 HB2 LEU 16 2HB LEU 16 -3.916 -0.345 -9.562 111 HB3 LEU 16 1HB LEU 16 -4.103 1.339 -9.967 112 HG LEU 16 HG LEU 16 -1.847 0.158 -8.267 113 HD11 LEU 16 1HD1 LEU 16 -1.922 1.258 -11.034 114 HD12 LEU 16 2HD1 LEU 16 -1.763 -0.440 -10.583 115 HD13 LEU 16 3HD1 LEU 16 -0.497 0.713 -10.156 116 HD21 LEU 16 3HD2 LEU 16 -2.236 2.972 -9.307 117 HD22 LEU 16 1HD2 LEU 16 -0.842 2.346 -8.428 118 HD23 LEU 16 2HD2 LEU 16 -2.402 2.494 -7.616 119 H SER 17 H SER 17 -4.276 1.612 -5.766 120 HA SER 17 HA SER 17 -5.383 4.302 -6.249 121 HB2 SER 17 2HB SER 17 -6.016 4.176 -3.851 122 HB3 SER 17 1HB SER 17 -6.783 2.983 -4.907 123 HG SER 17 HG SER 17 -5.843 2.286 -2.830 124 H GLY 18 H GLY 18 -2.521 2.739 -5.687 125 HA2 GLY 18 2HA GLY 18 -1.173 5.112 -5.141 126 HA3 GLY 18 1HA GLY 18 -1.333 4.169 -3.661 127 H VAL 19 H VAL 19 1.089 4.743 -4.752 128 HA VAL 19 HA VAL 19 2.018 2.065 -5.269 129 HB VAL 19 HB VAL 19 3.743 2.972 -6.880 130 HG11 VAL 19 1HG1 VAL 19 1.905 1.616 -7.686 131 HG12 VAL 19 2HG1 VAL 19 2.309 2.868 -8.852 132 HG13 VAL 19 3HG1 VAL 19 0.881 3.053 -7.816 133 HG21 VAL 19 3HG2 VAL 19 3.487 5.335 -6.423 134 HG22 VAL 19 1HG2 VAL 19 1.830 5.280 -7.031 135 HG23 VAL 19 2HG2 VAL 19 3.182 5.003 -8.135 136 H CYS 20 H CYS 20 4.064 1.726 -4.656 137 HA CYS 20 HA CYS 20 5.578 3.852 -3.473 138 HB2 CYS 20 2HB CYS 20 6.003 2.305 -1.448 139 HB3 CYS 20 1HB CYS 20 4.516 3.271 -1.418 140 H GLU 21 H GLU 21 7.542 3.665 -4.199 141 HA GLU 21 HA GLU 21 8.288 1.003 -5.031 142 HB2 GLU 21 2HB GLU 21 8.453 2.731 -6.754 143 HB3 GLU 21 1HB GLU 21 9.554 3.650 -5.778 144 HG2 GLU 21 2HG GLU 21 10.251 0.843 -6.549 145 HG3 GLU 21 1HG GLU 21 10.453 2.115 -7.726 146 H ILE 22 H ILE 22 9.487 -0.102 -3.986 147 HA ILE 22 HA ILE 22 10.947 1.044 -1.711 148 HB ILE 22 HB ILE 22 9.239 -1.478 -1.636 149 HG12 ILE 22 2HG1 ILE 22 8.701 1.250 -0.399 150 HG13 ILE 22 1HG1 ILE 22 7.900 0.605 -1.821 151 HG21 ILE 22 1HG2 ILE 22 10.731 -0.062 0.512 152 HG22 ILE 22 2HG2 ILE 22 11.155 -1.614 -0.207 153 HG23 ILE 22 3HG2 ILE 22 9.661 -1.445 0.722 154 HD11 ILE 22 3HD1 ILE 22 6.552 0.357 0.167 155 HD12 ILE 22 1HD1 ILE 22 7.855 -0.584 0.901 156 HD13 ILE 22 2HD1 ILE 22 7.021 -1.212 -0.520 157 H SER 23 H SER 23 12.913 0.456 -1.774 158 HA SER 23 HA SER 23 14.912 -0.485 -2.300 159 HB2 SER 23 2HB SER 23 15.075 -2.949 -1.833 160 HB3 SER 23 1HB SER 23 14.237 -2.034 -0.585 161 HG SER 23 HG SER 23 12.430 -2.831 -2.333 162 H GLY 24 H GLY 24 13.257 0.098 -4.677 163 HA2 GLY 24 2HA GLY 24 13.960 -0.050 -6.893 164 HA3 GLY 24 1HA GLY 24 14.838 -1.519 -6.492 165 H ARG 25 H ARG 25 11.741 -1.588 -5.249 166 HA ARG 25 HA ARG 25 10.742 -3.091 -7.547 167 HB2 ARG 25 2HB ARG 25 11.502 -4.435 -5.597 168 HB3 ARG 25 1HB ARG 25 10.347 -3.570 -4.603 169 HG2 ARG 25 2HG ARG 25 8.532 -4.468 -5.922 170 HG3 ARG 25 1HG ARG 25 9.736 -5.276 -6.946 171 HD2 ARG 25 2HD ARG 25 9.340 -5.737 -3.991 172 HD3 ARG 25 1HD ARG 25 8.820 -6.830 -5.269 173 HE ARG 25 HE ARG 25 11.285 -6.875 -5.857 174 HH11 ARG 25 1HH1 ARG 25 10.086 -6.527 -2.513 175 HH12 ARG 25 2HH1 ARG 25 11.445 -7.290 -1.839 176 HH21 ARG 25 1HH2 ARG 25 13.118 -7.889 -4.885 177 HH22 ARG 25 2HH2 ARG 25 13.206 -8.084 -3.186 178 H LEU 26 H LEU 26 8.615 -2.511 -8.134 179 HA LEU 26 HA LEU 26 7.600 -0.155 -6.773 180 HB2 LEU 26 2HB LEU 26 7.722 -0.816 -9.434 181 HB3 LEU 26 1HB LEU 26 6.097 -1.310 -9.013 182 HG LEU 26 HG LEU 26 5.765 0.810 -9.803 183 HD11 LEU 26 1HD1 LEU 26 5.123 2.238 -8.083 184 HD12 LEU 26 2HD1 LEU 26 6.017 1.283 -6.911 185 HD13 LEU 26 3HD1 LEU 26 4.630 0.564 -7.774 186 HD21 LEU 26 3HD2 LEU 26 7.170 2.759 -9.238 187 HD22 LEU 26 1HD2 LEU 26 8.055 1.487 -10.085 188 HD23 LEU 26 2HD2 LEU 26 8.244 1.664 -8.352 189 H TYR 27 H TYR 27 6.112 -0.418 -5.259 190 HA TYR 27 HA TYR 27 4.437 -2.766 -5.330 191 HB2 TYR 27 2HB TYR 27 5.345 -0.917 -3.194 192 HB3 TYR 27 1HB TYR 27 3.952 -1.897 -2.854 193 HD1 TYR 27 1HD TYR 27 4.258 -4.436 -2.973 194 HD2 TYR 27 2HD TYR 27 7.541 -1.732 -3.063 195 HE1 TYR 27 1HE TYR 27 5.770 -6.270 -2.350 196 HE2 TYR 27 2HE TYR 27 9.066 -3.568 -2.424 197 HH TYR 27 HH TYR 27 8.056 -6.863 -2.457 198 H ARG 28 H ARG 28 2.499 -2.581 -5.909 199 HA ARG 28 HA ARG 28 1.200 0.044 -6.160 200 HB2 ARG 28 2HB ARG 28 0.681 -2.625 -7.411 201 HB3 ARG 28 1HB ARG 28 -0.507 -1.334 -7.445 202 HG2 ARG 28 2HG ARG 28 0.864 0.023 -8.724 203 HG3 ARG 28 1HG ARG 28 2.273 -0.985 -8.473 204 HD2 ARG 28 2HD ARG 28 1.137 -2.805 -9.652 205 HD3 ARG 28 1HD ARG 28 -0.241 -1.783 -9.923 206 HE ARG 28 HE ARG 28 0.998 -0.482 -11.426 207 HH11 ARG 28 1HH1 ARG 28 2.912 -3.121 -10.127 208 HH12 ARG 28 2HH1 ARG 28 3.926 -3.282 -11.481 209 HH21 ARG 28 1HH2 ARG 28 2.387 -0.647 -13.293 210 HH22 ARG 28 2HH2 ARG 28 3.642 -1.809 -13.333 211 H LEU 29 H LEU 29 -0.654 0.415 -5.181 212 HA LEU 29 HA LEU 29 -1.533 -1.586 -3.248 213 HB2 LEU 29 2HB LEU 29 -2.181 1.354 -3.329 214 HB3 LEU 29 1HB LEU 29 -2.461 0.225 -2.026 215 HG LEU 29 HG LEU 29 0.225 1.207 -2.951 216 HD11 LEU 29 1HD1 LEU 29 -0.935 2.882 -1.699 217 HD12 LEU 29 2HD1 LEU 29 0.353 2.163 -0.704 218 HD13 LEU 29 3HD1 LEU 29 -1.325 1.708 -0.438 219 HD21 LEU 29 3HD2 LEU 29 -0.470 -0.683 -0.738 220 HD22 LEU 29 1HD2 LEU 29 1.117 0.012 -1.076 221 HD23 LEU 29 2HD2 LEU 29 0.391 -1.086 -2.257 222 H CYS 30 H CYS 30 -3.088 -2.708 -4.279 223 HA CYS 30 HA CYS 30 -5.148 -1.042 -5.445 224 HB2 CYS 30 2HB CYS 30 -5.868 -3.024 -6.857 225 HB3 CYS 30 1HB CYS 30 -4.208 -2.522 -7.161 226 H CYS 31 H CYS 31 -6.998 -0.958 -4.476 227 HA CYS 31 HA CYS 31 -7.085 -2.591 -2.048 228 HB2 CYS 31 2HB CYS 31 -6.733 -0.016 -1.942 229 HB3 CYS 31 1HB CYS 31 -8.415 0.068 -2.408 230 H ARG 32 H ARG 32 -9.227 -3.088 -1.201 231 HA ARG 32 HA ARG 32 -11.316 -3.216 -3.254 232 HB2 ARG 32 2HB ARG 32 -11.713 -5.560 -2.738 233 HB3 ARG 32 1HB ARG 32 -10.055 -5.336 -3.271 234 HG2 ARG 32 2HG ARG 32 -9.365 -5.310 -0.868 235 HG3 ARG 32 1HG ARG 32 -11.017 -5.746 -0.450 236 HD2 ARG 32 2HD ARG 32 -9.095 -7.342 -2.135 237 HD3 ARG 32 1HD ARG 32 -9.615 -7.706 -0.494 238 HE ARG 32 HE ARG 32 -11.849 -7.536 -2.182 239 HH11 ARG 32 1HH1 ARG 32 -9.123 -9.667 -1.396 240 HH12 ARG 32 2HH1 ARG 32 -9.874 -11.074 -2.004 241 HH21 ARG 32 1HH2 ARG 32 -12.879 -9.504 -3.033 242 HH22 ARG 32 2HH2 ARG 32 -12.027 -10.974 -2.943 243 H1 ALA 101 H ALA 101 -8.895 6.362 -6.224 244 HA ALA 101 HA ALA 101 -9.772 6.419 -3.558 245 HB1 ALA 101 1HB ALA 101 -10.218 4.027 -3.956 246 HB2 ALA 101 2HB ALA 101 -8.835 4.223 -2.876 247 HB3 ALA 101 3HB ALA 101 -8.576 3.818 -4.561 248 H THR 102 H THR 102 -8.011 7.038 -2.255 249 HA THR 102 HA THR 102 -5.398 7.040 -3.585 250 HB THR 102 HB THR 102 -6.472 9.122 -1.659 251 HG1 THR 102 1HG THR 102 -6.039 9.276 -4.473 252 HG21 THR 102 3HG2 THR 102 -3.950 9.062 -3.331 253 HG22 THR 102 1HG2 THR 102 -4.028 8.838 -1.584 254 HG23 THR 102 2HG2 THR 102 -4.465 10.392 -2.296 255 H CYS 103 H CYS 103 -4.228 5.565 -2.606 256 HA CYS 103 HA CYS 103 -4.335 5.421 0.325 257 HB2 CYS 103 2HB CYS 103 -3.772 3.094 -1.544 258 HB3 CYS 103 1HB CYS 103 -3.953 3.022 0.194 259 H TYR 104 H TYR 104 -2.096 4.471 1.146 260 HA TYR 104 HA TYR 104 0.060 4.715 -0.620 261 HB2 TYR 104 2HB TYR 104 1.185 6.670 0.551 262 HB3 TYR 104 1HB TYR 104 -0.153 7.072 -0.506 263 HD1 TYR 104 2HD TYR 104 -2.306 7.813 0.468 264 HD2 TYR 104 1HD TYR 104 1.115 7.132 2.900 265 HE1 TYR 104 2HE TYR 104 -3.343 9.116 2.264 266 HE2 TYR 104 1HE TYR 104 0.088 8.443 4.708 267 HH TYR 104 HH TYR 104 -1.598 10.190 4.954 268 H CYS 105 H CYS 105 2.130 4.339 0.341 269 HA CYS 105 HA CYS 105 1.783 2.341 2.426 270 HB2 CYS 105 2HB CYS 105 4.233 2.867 0.709 271 HB3 CYS 105 1HB CYS 105 3.820 1.441 1.664 272 H ARG 106 H ARG 106 2.131 3.110 4.481 273 HA ARG 106 HA ARG 106 4.422 4.845 4.761 274 HB2 ARG 106 2HB ARG 106 3.324 5.902 6.808 275 HB3 ARG 106 1HB ARG 106 2.811 6.404 5.220 276 HG2 ARG 106 2HG ARG 106 0.897 6.260 6.533 277 HG3 ARG 106 1HG ARG 106 0.875 4.840 5.485 278 HD2 ARG 106 2HD ARG 106 1.628 3.481 7.364 279 HD3 ARG 106 1HD ARG 106 1.673 4.904 8.408 280 HE ARG 106 HE ARG 106 -0.849 4.473 7.106 281 HH11 ARG 106 1HH1 ARG 106 0.908 3.789 10.144 282 HH12 ARG 106 2HH1 ARG 106 -0.482 3.469 11.033 283 HH21 ARG 106 1HH2 ARG 106 -2.784 4.031 8.441 284 HH22 ARG 106 2HH2 ARG 106 -2.586 3.607 10.072 285 H THR 107 H THR 107 5.779 4.775 6.244 286 HA THR 107 HA THR 107 6.407 2.150 7.211 287 HB THR 107 HB THR 107 8.531 3.221 7.899 288 HG1 THR 107 1HG THR 107 8.459 5.251 8.284 289 HG21 THR 107 3HG2 THR 107 9.249 3.896 5.654 290 HG22 THR 107 1HG2 THR 107 7.565 4.025 5.155 291 HG23 THR 107 2HG2 THR 107 8.239 2.453 5.583 292 H GLY 108 H GLY 108 4.528 4.484 8.522 293 HA2 GLY 108 2HA GLY 108 4.933 3.556 11.206 294 HA3 GLY 108 1HA GLY 108 5.324 5.257 10.953 295 H ARG 109 H ARG 109 3.719 6.717 10.644 296 HA ARG 109 HA ARG 109 1.048 5.584 10.682 297 HB2 ARG 109 2HB ARG 109 0.316 7.440 12.091 298 HB3 ARG 109 1HB ARG 109 1.578 6.504 12.881 299 HG2 ARG 109 2HG ARG 109 3.214 8.201 12.295 300 HG3 ARG 109 1HG ARG 109 1.962 9.115 11.448 301 HD2 ARG 109 2HD ARG 109 0.720 9.332 13.556 302 HD3 ARG 109 1HD ARG 109 2.012 8.490 14.406 303 HE ARG 109 HE ARG 109 3.249 10.578 13.175 304 HH11 ARG 109 1HH1 ARG 109 0.561 10.329 15.497 305 HH12 ARG 109 2HH1 ARG 109 0.851 11.858 16.175 306 HH21 ARG 109 1HH2 ARG 109 3.598 12.686 14.140 307 HH22 ARG 109 2HH2 ARG 109 2.569 13.207 15.402 308 H CYS 110 H CYS 110 -0.584 7.575 10.108 309 HA CYS 110 HA CYS 110 0.583 9.439 8.244 310 HB2 CYS 110 2HB CYS 110 -1.384 9.007 6.675 311 HB3 CYS 110 1HB CYS 110 -0.163 7.765 6.633 312 H ALA 111 H ALA 111 -0.676 11.354 7.985 313 HA ALA 111 HA ALA 111 -2.060 11.947 10.394 314 HB1 ALA 111 1HB ALA 111 -1.659 13.750 8.007 315 HB2 ALA 111 2HB ALA 111 -0.537 13.583 9.358 316 HB3 ALA 111 3HB ALA 111 -2.152 14.241 9.628 317 H THR 112 H THR 112 -3.680 10.535 10.226 318 HA THR 112 HA THR 112 -6.143 11.563 9.748 319 HB THR 112 HB THR 112 -5.803 11.305 7.311 320 HG1 THR 112 1HG THR 112 -7.847 10.942 7.714 321 HG21 THR 112 3HG2 THR 112 -5.336 8.359 7.862 322 HG22 THR 112 1HG2 THR 112 -4.119 9.505 7.300 323 HG23 THR 112 2HG2 THR 112 -5.482 9.085 6.261 324 H ARG 113 H ARG 113 -4.163 8.657 9.753 325 HA ARG 113 HA ARG 113 -4.220 6.705 10.953 326 HB2 ARG 113 2HB ARG 113 -5.731 8.436 12.911 327 HB3 ARG 113 1HB ARG 113 -5.004 6.877 13.269 328 HG2 ARG 113 2HG ARG 113 -3.528 9.336 12.419 329 HG3 ARG 113 1HG ARG 113 -3.677 8.736 14.073 330 HD2 ARG 113 2HD ARG 113 -2.396 7.286 11.764 331 HD3 ARG 113 1HD ARG 113 -1.533 8.099 13.053 332 HE ARG 113 HE ARG 113 -3.225 5.705 13.415 333 HH11 ARG 113 1HH1 ARG 113 -0.648 7.812 14.596 334 HH12 ARG 113 2HH1 ARG 113 0.058 6.629 15.597 335 HH21 ARG 113 1HH2 ARG 113 -2.273 4.083 14.816 336 HH22 ARG 113 2HH2 ARG 113 -0.883 4.484 15.718 337 H GLU 114 H GLU 114 -6.008 5.551 12.633 338 HA GLU 114 HA GLU 114 -7.933 4.520 12.965 339 HB2 GLU 114 2HB GLU 114 -8.938 6.746 12.797 340 HB3 GLU 114 1HB GLU 114 -9.100 6.537 11.065 341 HG2 GLU 114 2HG GLU 114 -10.646 4.690 11.443 342 HG3 GLU 114 1HG GLU 114 -10.481 4.925 13.186 343 H SER 115 H SER 115 -7.501 5.200 9.538 344 HA SER 115 HA SER 115 -8.556 2.546 9.006 345 HB2 SER 115 2HB SER 115 -9.667 4.393 7.820 346 HB3 SER 115 1HB SER 115 -8.133 4.853 7.095 347 HG SER 115 HG SER 115 -9.813 3.302 6.038 348 H LEU 116 H LEU 116 -6.689 1.419 9.613 349 HA LEU 116 HA LEU 116 -4.537 1.585 7.644 350 HB2 LEU 116 2HB LEU 116 -3.857 1.454 10.070 351 HB3 LEU 116 1HB LEU 116 -4.727 -0.050 10.244 352 HG LEU 116 HG LEU 116 -2.079 0.333 8.714 353 HD11 LEU 116 1HD1 LEU 116 -1.190 -0.960 10.475 354 HD12 LEU 116 2HD1 LEU 116 -2.752 -0.991 11.288 355 HD13 LEU 116 3HD1 LEU 116 -1.895 0.538 11.078 356 HD21 LEU 116 3HD2 LEU 116 -3.626 -2.181 9.347 357 HD22 LEU 116 1HD2 LEU 116 -2.100 -2.024 8.481 358 HD23 LEU 116 2HD2 LEU 116 -3.592 -1.433 7.747 359 H SER 117 H SER 117 -4.710 0.352 6.013 360 HA SER 117 HA SER 117 -6.966 -1.531 6.012 361 HB2 SER 117 2HB SER 117 -7.068 -1.005 3.575 362 HB3 SER 117 1HB SER 117 -7.422 0.340 4.658 363 HG SER 117 HG SER 117 -5.901 0.589 2.792 364 H GLY 118 H GLY 118 -3.636 -1.526 5.823 365 HA2 GLY 118 2HA GLY 118 -3.568 -4.281 5.360 366 HA3 GLY 118 1HA GLY 118 -3.108 -3.432 3.888 367 H VAL 119 H VAL 119 -1.371 -5.078 5.234 368 HA VAL 119 HA VAL 119 0.649 -3.120 5.878 369 HB VAL 119 HB VAL 119 1.642 -4.777 7.562 370 HG11 VAL 119 1HG1 VAL 119 0.312 -3.947 9.424 371 HG12 VAL 119 2HG1 VAL 119 -0.957 -3.473 8.299 372 HG13 VAL 119 3HG1 VAL 119 0.627 -2.663 8.250 373 HG21 VAL 119 3HG2 VAL 119 0.041 -6.239 8.696 374 HG22 VAL 119 1HG2 VAL 119 0.276 -6.683 6.997 375 HG23 VAL 119 2HG2 VAL 119 -1.170 -5.793 7.487 376 H CYS 120 H CYS 120 2.624 -3.628 5.267 377 HA CYS 120 HA CYS 120 3.178 -6.245 4.236 378 HB2 CYS 120 2HB CYS 120 4.248 -5.102 2.182 379 HB3 CYS 120 1HB CYS 120 2.494 -5.345 2.144 380 H GLU 121 H GLU 121 4.990 -6.837 5.140 381 HA GLU 121 HA GLU 121 6.788 -4.709 5.914 382 HB2 GLU 121 2HB GLU 121 6.091 -6.329 7.673 383 HB3 GLU 121 1HB GLU 121 6.794 -7.614 6.729 384 HG2 GLU 121 2HG GLU 121 8.519 -5.329 7.577 385 HG3 GLU 121 1HG GLU 121 8.124 -6.569 8.744 386 H ILE 122 H ILE 122 8.438 -4.344 4.891 387 HA ILE 122 HA ILE 122 9.355 -6.245 2.849 388 HB ILE 122 HB ILE 122 8.994 -3.267 2.300 389 HG12 ILE 122 2HG1 ILE 122 7.185 -5.560 1.418 390 HG13 ILE 122 1HG1 ILE 122 6.796 -4.384 2.671 391 HG21 ILE 122 1HG2 ILE 122 10.725 -4.373 1.008 392 HG22 ILE 122 2HG2 ILE 122 9.352 -3.927 -0.003 393 HG23 ILE 122 3HG2 ILE 122 9.570 -5.604 0.495 394 HD11 ILE 122 3HD1 ILE 122 5.738 -3.894 0.567 395 HD12 ILE 122 1HD1 ILE 122 7.337 -3.798 -0.183 396 HD13 ILE 122 2HD1 ILE 122 6.884 -2.633 1.069 397 H SER 123 H SER 123 11.378 -6.491 3.006 398 HA SER 123 HA SER 123 13.560 -6.419 3.621 399 HB2 SER 123 2HB SER 123 14.770 -4.278 3.138 400 HB3 SER 123 1HB SER 123 13.685 -4.793 1.843 401 HG SER 123 HG SER 123 12.279 -3.281 3.420 402 H GLY 124 H GLY 124 11.658 -6.160 5.850 403 HA2 GLY 124 2HA GLY 124 12.082 -6.183 8.091 404 HA3 GLY 124 1HA GLY 124 13.612 -5.366 7.811 405 H ARG 125 H ARG 125 10.890 -3.952 6.294 406 HA ARG 125 HA ARG 125 10.601 -2.026 8.476 407 HB2 ARG 125 2HB ARG 125 11.947 -1.223 6.502 408 HB3 ARG 125 1HB ARG 125 10.533 -1.505 5.510 409 HG2 ARG 125 2HG ARG 125 9.282 0.117 6.809 410 HG3 ARG 125 1HG ARG 125 10.725 0.318 7.820 411 HD2 ARG 125 2HD ARG 125 10.590 0.883 4.863 412 HD3 ARG 125 1HD ARG 125 10.493 2.112 6.119 413 HE ARG 125 HE ARG 125 12.799 0.899 6.699 414 HH11 ARG 125 1HH1 ARG 125 11.532 2.070 3.604 415 HH12 ARG 125 2HH1 ARG 125 13.027 2.591 2.999 416 HH21 ARG 125 1HH2 ARG 125 14.923 1.606 5.849 417 HH22 ARG 125 2HH2 ARG 125 14.998 2.286 4.296 418 H LEU 126 H LEU 126 8.382 -1.524 8.931 419 HA LEU 126 HA LEU 126 6.523 -3.276 7.552 420 HB2 LEU 126 2HB LEU 126 6.777 -2.609 10.209 421 HB3 LEU 126 1HB LEU 126 5.502 -1.537 9.669 422 HG LEU 126 HG LEU 126 4.331 -3.333 10.468 423 HD11 LEU 126 1HD1 LEU 126 3.282 -4.482 8.687 424 HD12 LEU 126 2HD1 LEU 126 4.537 -3.953 7.579 425 HD13 LEU 126 3HD1 LEU 126 3.473 -2.759 8.340 426 HD21 LEU 126 3HD2 LEU 126 6.357 -5.143 9.195 427 HD22 LEU 126 1HD2 LEU 126 4.885 -5.701 10.007 428 HD23 LEU 126 2HD2 LEU 126 6.121 -4.832 10.911 429 H TYR 127 H TYR 127 5.358 -2.487 5.968 430 HA TYR 127 HA TYR 127 4.858 0.360 5.817 431 HB2 TYR 127 2HB TYR 127 4.939 -1.864 3.834 432 HB3 TYR 127 1HB TYR 127 4.210 -0.375 3.336 433 HD1 TYR 127 1HD TYR 127 5.700 1.732 3.523 434 HD2 TYR 127 2HD TYR 127 7.239 -2.226 3.722 435 HE1 TYR 127 1HE TYR 127 7.934 2.578 2.968 436 HE2 TYR 127 2HE TYR 127 9.489 -1.372 3.150 437 HH TYR 127 HH TYR 127 10.496 0.575 2.071 438 H ARG 128 H ARG 128 3.018 0.936 6.603 439 HA ARG 128 HA ARG 128 0.719 -0.895 6.648 440 HB2 ARG 128 2HB ARG 128 1.248 1.754 7.962 441 HB3 ARG 128 1HB ARG 128 -0.297 0.929 8.040 442 HG2 ARG 128 2HG ARG 128 0.528 -0.728 9.342 443 HG3 ARG 128 1HG ARG 128 2.186 -0.426 8.878 444 HD2 ARG 128 2HD ARG 128 1.911 1.846 10.027 445 HD3 ARG 128 1HD ARG 128 0.417 1.275 10.610 446 HE ARG 128 HE ARG 128 1.414 -0.249 12.012 447 HH11 ARG 128 1HH1 ARG 128 3.857 1.513 10.121 448 HH12 ARG 128 2HH1 ARG 128 5.163 1.063 11.115 449 HH21 ARG 128 1HH2 ARG 128 3.266 -0.867 13.381 450 HH22 ARG 128 2HH2 ARG 128 4.818 -0.304 12.998 451 H LEU 129 H LEU 129 -1.089 -0.371 5.618 452 HA LEU 129 HA LEU 129 -0.811 1.725 3.616 453 HB2 LEU 129 2HB LEU 129 -2.694 -0.620 3.721 454 HB3 LEU 129 1HB LEU 129 -2.473 0.488 2.372 455 HG LEU 129 HG LEU 129 -0.505 -1.542 3.403 456 HD11 LEU 129 1HD1 LEU 129 -2.047 -1.362 0.837 457 HD12 LEU 129 2HD1 LEU 129 -2.231 -2.580 2.109 458 HD13 LEU 129 3HD1 LEU 129 -0.738 -2.486 1.161 459 HD21 LEU 129 3HD2 LEU 129 0.867 -0.915 1.531 460 HD22 LEU 129 1HD2 LEU 129 0.696 0.421 2.684 461 HD23 LEU 129 2HD2 LEU 129 -0.238 0.410 1.159 462 H CYS 130 H CYS 130 -1.995 3.453 3.920 463 HA CYS 130 HA CYS 130 -4.561 3.090 5.183 464 HB2 CYS 130 2HB CYS 130 -4.309 5.443 6.206 465 HB3 CYS 130 1HB CYS 130 -3.342 4.155 6.925 466 H CYS 131 H CYS 131 -6.209 4.348 4.381 467 HA CYS 131 HA CYS 131 -5.456 5.516 1.832 468 HB2 CYS 131 2HB CYS 131 -6.416 3.115 1.830 469 HB3 CYS 131 1HB CYS 131 -7.938 3.886 2.251 470 H ARG 132 H ARG 132 -6.841 7.189 1.143 471 HA ARG 132 HA ARG 132 -8.303 8.332 3.402 472 HB2 ARG 132 2HB ARG 132 -7.678 10.570 2.491 473 HB3 ARG 132 1HB ARG 132 -6.307 9.616 3.051 474 HG2 ARG 132 2HG ARG 132 -5.843 9.023 0.690 475 HG3 ARG 132 1HG ARG 132 -7.160 10.085 0.202 476 HD2 ARG 132 2HD ARG 132 -4.630 10.870 1.641 477 HD3 ARG 132 1HD ARG 132 -5.052 11.233 -0.029 478 HE ARG 132 HE ARG 132 -6.796 12.210 2.079 479 HH11 ARG 132 1HH1 ARG 132 -4.356 12.965 -0.411 480 HH12 ARG 132 2HH1 ARG 132 -4.559 14.644 -0.269 481 HH21 ARG 132 1HH2 ARG 132 -7.044 14.549 2.235 482 HH22 ARG 132 2HH2 ARG 132 -6.113 15.558 1.230 Start of MODEL 13 1 H1 ALA 1 1HT ALA 1 -11.588 -2.091 5.014 2 H2 ALA 1 2HT ALA 1 -11.815 -0.431 5.098 3 H3 ALA 1 3HT ALA 1 -10.362 -1.137 5.646 4 HA ALA 1 HA ALA 1 -11.303 -1.162 2.870 5 HB1 ALA 1 2HB ALA 1 -10.561 1.076 3.592 6 HB2 ALA 1 3HB ALA 1 -9.444 0.362 2.423 7 HB3 ALA 1 1HB ALA 1 -9.039 0.380 4.139 8 H THR 2 H THR 2 -10.310 -2.708 1.647 9 HA THR 2 HA THR 2 -8.056 -4.080 2.924 10 HB THR 2 HB THR 2 -9.887 -5.106 0.759 11 HG1 THR 2 1HG THR 2 -9.817 -5.722 3.519 12 HG21 THR 2 3HG2 THR 2 -7.839 -6.519 2.476 13 HG22 THR 2 1HG2 THR 2 -7.655 -6.133 0.765 14 HG23 THR 2 2HG2 THR 2 -8.887 -7.287 1.285 15 H CYS 3 H CYS 3 -6.261 -3.364 2.180 16 HA CYS 3 HA CYS 3 -6.012 -2.869 -0.689 17 HB2 CYS 3 2HB CYS 3 -4.582 -1.262 1.439 18 HB3 CYS 3 1HB CYS 3 -4.744 -0.892 -0.261 19 H TYR 4 H TYR 4 -3.604 -3.163 -1.253 20 HA TYR 4 HA TYR 4 -1.978 -4.395 0.678 21 HB2 TYR 4 2HB TYR 4 -1.754 -6.600 -0.573 22 HB3 TYR 4 1HB TYR 4 -3.217 -6.383 0.367 23 HD1 TYR 4 1HD TYR 4 -1.829 -6.526 -3.045 24 HD2 TYR 4 2HD TYR 4 -5.355 -6.332 -0.680 25 HE1 TYR 4 1HE TYR 4 -3.171 -7.112 -5.007 26 HE2 TYR 4 2HE TYR 4 -6.714 -6.915 -2.630 27 HH TYR 4 HH TYR 4 -6.574 -6.820 -5.038 28 H CYS 5 H CYS 5 0.100 -4.881 -0.021 29 HA CYS 5 HA CYS 5 0.913 -2.970 -2.011 30 HB2 CYS 5 2HB CYS 5 2.665 -4.699 -0.227 31 HB3 CYS 5 1HB CYS 5 3.063 -3.199 -1.076 32 H ARG 6 H ARG 6 0.509 -3.885 -3.991 33 HA ARG 6 HA ARG 6 1.482 -6.577 -4.530 34 HB2 ARG 6 2HB ARG 6 0.400 -6.260 -6.808 35 HB3 ARG 6 1HB ARG 6 -0.691 -6.306 -5.432 36 HG2 ARG 6 2HG ARG 6 -1.118 -4.036 -5.540 37 HG3 ARG 6 1HG ARG 6 0.303 -3.719 -6.549 38 HD2 ARG 6 2HD ARG 6 -0.762 -4.775 -8.423 39 HD3 ARG 6 1HD ARG 6 -2.087 -5.338 -7.411 40 HE ARG 6 HE ARG 6 -2.609 -2.937 -7.094 41 HH11 ARG 6 1HH1 ARG 6 -0.816 -3.792 -10.010 42 HH12 ARG 6 2HH1 ARG 6 -1.708 -2.807 -11.055 43 HH21 ARG 6 1HH2 ARG 6 -3.906 -1.498 -8.623 44 HH22 ARG 6 2HH2 ARG 6 -3.455 -1.514 -10.257 45 H THR 7 H THR 7 3.111 -7.079 -5.923 46 HA THR 7 HA THR 7 4.953 -4.959 -6.581 47 HB THR 7 HB THR 7 6.379 -6.876 -7.347 48 HG1 THR 7 1HG THR 7 4.763 -8.353 -7.885 49 HG21 THR 7 3HG2 THR 7 6.532 -6.043 -5.040 50 HG22 THR 7 1HG2 THR 7 6.771 -7.787 -5.102 51 HG23 THR 7 2HG2 THR 7 5.227 -7.127 -4.566 52 H GLY 8 H GLY 8 2.261 -6.010 -8.056 53 HA2 GLY 8 2HA GLY 8 3.147 -5.371 -10.693 54 HA3 GLY 8 1HA GLY 8 2.672 -7.057 -10.470 55 H ARG 9 H ARG 9 0.633 -7.482 -10.863 56 HA ARG 9 HA ARG 9 -1.233 -5.223 -10.765 57 HB2 ARG 9 2HB ARG 9 -2.539 -6.326 -12.477 58 HB3 ARG 9 1HB ARG 9 -0.886 -6.115 -13.017 59 HG2 ARG 9 2HG ARG 9 -0.437 -8.460 -12.477 60 HG3 ARG 9 1HG ARG 9 -2.122 -8.643 -11.985 61 HD2 ARG 9 2HD ARG 9 -2.810 -7.944 -14.272 62 HD3 ARG 9 1HD ARG 9 -1.112 -7.937 -14.736 63 HE ARG 9 HE ARG 9 -1.613 -10.411 -13.658 64 HH11 ARG 9 1HH1 ARG 9 -2.680 -8.525 -16.461 65 HH12 ARG 9 2HH1 ARG 9 -3.138 -9.855 -17.400 66 HH21 ARG 9 1HH2 ARG 9 -2.218 -12.288 -14.957 67 HH22 ARG 9 2HH2 ARG 9 -2.880 -12.065 -16.507 68 H CYS 10 H CYS 10 -3.670 -6.171 -10.579 69 HA CYS 10 HA CYS 10 -3.841 -8.483 -8.968 70 HB2 CYS 10 2HB CYS 10 -5.340 -7.208 -7.312 71 HB3 CYS 10 1HB CYS 10 -3.652 -6.815 -7.134 72 H ALA 11 H ALA 11 -6.406 -8.819 -8.686 73 HA ALA 11 HA ALA 11 -7.215 -8.929 -11.410 74 HB1 ALA 11 1HB ALA 11 -7.760 -10.719 -9.812 75 HB2 ALA 11 2HB ALA 11 -9.203 -10.074 -10.586 76 HB3 ALA 11 3HB ALA 11 -8.814 -9.611 -8.930 77 H THR 12 H THR 12 -7.808 -6.775 -8.799 78 HA THR 12 HA THR 12 -9.795 -5.424 -10.344 79 HB THR 12 HB THR 12 -10.090 -5.324 -7.931 80 HG1 THR 12 1HG THR 12 -10.629 -3.479 -9.202 81 HG21 THR 12 3HG2 THR 12 -7.769 -5.550 -7.201 82 HG22 THR 12 1HG2 THR 12 -8.490 -4.128 -6.439 83 HG23 THR 12 2HG2 THR 12 -7.393 -3.967 -7.825 84 H ARG 13 H ARG 13 -8.598 -5.242 -12.181 85 HA ARG 13 HA ARG 13 -6.116 -3.864 -12.337 86 HB2 ARG 13 2HB ARG 13 -8.092 -4.651 -14.488 87 HB3 ARG 13 1HB ARG 13 -6.504 -3.922 -14.762 88 HG2 ARG 13 2HG ARG 13 -6.778 -6.444 -13.201 89 HG3 ARG 13 1HG ARG 13 -6.709 -6.445 -14.968 90 HD2 ARG 13 2HD ARG 13 -4.624 -5.105 -13.223 91 HD3 ARG 13 1HD ARG 13 -4.486 -6.751 -13.813 92 HE ARG 13 HE ARG 13 -4.957 -5.475 -16.080 93 HH11 ARG 13 1HH1 ARG 13 -2.709 -4.486 -13.526 94 HH12 ARG 13 2HH1 ARG 13 -1.548 -3.909 -14.617 95 HH21 ARG 13 1HH2 ARG 13 -3.351 -4.656 -17.539 96 HH22 ARG 13 2HH2 ARG 13 -1.895 -4.023 -16.919 97 H GLU 14 H GLU 14 -5.684 -1.892 -13.388 98 HA GLU 14 HA GLU 14 -5.855 0.279 -13.766 99 HB2 GLU 14 2HB GLU 14 -8.856 -0.128 -13.831 100 HB3 GLU 14 1HB GLU 14 -8.026 1.345 -14.305 101 HG2 GLU 14 2HG GLU 14 -6.897 0.130 -16.098 102 HG3 GLU 14 1HG GLU 14 -7.738 -1.344 -15.621 103 H SER 15 H SER 15 -7.296 -1.178 -11.090 104 HA SER 15 HA SER 15 -7.710 1.303 -9.705 105 HB2 SER 15 2HB SER 15 -9.295 -0.591 -9.357 106 HB3 SER 15 1HB SER 15 -7.976 -1.521 -8.649 107 HG SER 15 HG SER 15 -9.245 -0.494 -7.077 108 H LEU 16 H LEU 16 -5.546 1.913 -10.081 109 HA LEU 16 HA LEU 16 -3.854 0.876 -7.967 110 HB2 LEU 16 2HB LEU 16 -2.827 0.937 -10.221 111 HB3 LEU 16 1HB LEU 16 -3.147 2.652 -10.356 112 HG LEU 16 HG LEU 16 -1.090 1.337 -8.514 113 HD11 LEU 16 1HD1 LEU 16 -0.547 1.147 -10.844 114 HD12 LEU 16 2HD1 LEU 16 0.503 2.306 -10.022 115 HD13 LEU 16 3HD1 LEU 16 -0.805 2.880 -11.061 116 HD21 LEU 16 3HD2 LEU 16 -1.746 4.231 -9.132 117 HD22 LEU 16 1HD2 LEU 16 -0.330 3.710 -8.225 118 HD23 LEU 16 2HD2 LEU 16 -1.938 3.441 -7.574 119 H SER 17 H SER 17 -3.941 1.799 -6.208 120 HA SER 17 HA SER 17 -5.342 4.352 -6.018 121 HB2 SER 17 2HB SER 17 -4.807 2.261 -3.932 122 HB3 SER 17 1HB SER 17 -5.947 3.607 -3.837 123 HG SER 17 HG SER 17 -6.917 2.598 -5.788 124 H GLY 18 H GLY 18 -2.251 2.930 -5.642 125 HA2 GLY 18 2HA GLY 18 -1.023 5.332 -4.915 126 HA3 GLY 18 1HA GLY 18 -1.176 4.299 -3.493 127 H VAL 19 H VAL 19 1.310 5.001 -4.457 128 HA VAL 19 HA VAL 19 2.303 2.381 -5.164 129 HB VAL 19 HB VAL 19 4.018 3.436 -6.739 130 HG11 VAL 19 1HG1 VAL 19 2.434 1.951 -7.612 131 HG12 VAL 19 2HG1 VAL 19 2.382 3.363 -8.692 132 HG13 VAL 19 3HG1 VAL 19 1.159 3.124 -7.424 133 HG21 VAL 19 3HG2 VAL 19 3.281 5.438 -7.958 134 HG22 VAL 19 1HG2 VAL 19 3.571 5.774 -6.247 135 HG23 VAL 19 2HG2 VAL 19 1.920 5.595 -6.844 136 H CYS 20 H CYS 20 4.274 1.933 -4.565 137 HA CYS 20 HA CYS 20 6.045 3.923 -3.536 138 HB2 CYS 20 2HB CYS 20 6.400 2.444 -1.443 139 HB3 CYS 20 1HB CYS 20 4.984 3.522 -1.406 140 H GLU 21 H GLU 21 7.905 3.454 -4.529 141 HA GLU 21 HA GLU 21 8.234 0.680 -5.355 142 HB2 GLU 21 2HB GLU 21 8.407 2.460 -7.079 143 HB3 GLU 21 1HB GLU 21 9.760 3.156 -6.236 144 HG2 GLU 21 2HG GLU 21 10.995 1.015 -6.565 145 HG3 GLU 21 1HG GLU 21 9.655 0.433 -7.526 146 H ILE 22 H ILE 22 9.261 -0.508 -4.052 147 HA ILE 22 HA ILE 22 11.315 0.618 -2.248 148 HB ILE 22 HB ILE 22 9.320 -1.549 -1.490 149 HG12 ILE 22 2HG1 ILE 22 9.169 1.387 -0.752 150 HG13 ILE 22 1HG1 ILE 22 8.204 0.648 -2.022 151 HG21 ILE 22 1HG2 ILE 22 10.029 -1.040 0.759 152 HG22 ILE 22 2HG2 ILE 22 11.131 0.189 0.144 153 HG23 ILE 22 3HG2 ILE 22 11.405 -1.511 -0.247 154 HD11 ILE 22 3HD1 ILE 22 6.956 0.834 0.043 155 HD12 ILE 22 1HD1 ILE 22 8.199 -0.115 0.864 156 HD13 ILE 22 2HD1 ILE 22 7.232 -0.861 -0.399 157 H SER 23 H SER 23 13.107 -0.576 -2.144 158 HA SER 23 HA SER 23 14.720 -2.063 -2.666 159 HB2 SER 23 2HB SER 23 14.172 -4.473 -2.159 160 HB3 SER 23 1HB SER 23 13.691 -3.348 -0.897 161 HG SER 23 HG SER 23 11.680 -3.559 -2.574 162 H GLY 24 H GLY 24 13.325 -1.056 -4.981 163 HA2 GLY 24 2HA GLY 24 13.765 -1.407 -7.251 164 HA3 GLY 24 1HA GLY 24 14.263 -3.049 -6.877 165 H ARG 25 H ARG 25 11.422 -2.709 -5.361 166 HA ARG 25 HA ARG 25 9.918 -3.766 -7.640 167 HB2 ARG 25 2HB ARG 25 9.696 -4.225 -4.704 168 HB3 ARG 25 1HB ARG 25 8.371 -4.581 -5.799 169 HG2 ARG 25 2HG ARG 25 9.554 -6.160 -6.916 170 HG3 ARG 25 1HG ARG 25 11.082 -5.587 -6.237 171 HD2 ARG 25 2HD ARG 25 10.356 -6.379 -4.016 172 HD3 ARG 25 1HD ARG 25 8.790 -6.826 -4.671 173 HE ARG 25 HE ARG 25 10.704 -8.234 -6.074 174 HH11 ARG 25 1HH1 ARG 25 9.580 -8.012 -2.733 175 HH12 ARG 25 2HH1 ARG 25 9.828 -9.657 -2.365 176 HH21 ARG 25 1HH2 ARG 25 11.061 -10.504 -5.588 177 HH22 ARG 25 2HH2 ARG 25 10.682 -11.123 -4.057 178 H LEU 26 H LEU 26 8.069 -3.013 -8.058 179 HA LEU 26 HA LEU 26 7.455 -0.397 -6.897 180 HB2 LEU 26 2HB LEU 26 7.391 -1.047 -9.476 181 HB3 LEU 26 1HB LEU 26 5.789 -1.616 -9.042 182 HG LEU 26 HG LEU 26 5.265 0.444 -9.750 183 HD11 LEU 26 1HD1 LEU 26 4.807 1.981 -8.016 184 HD12 LEU 26 2HD1 LEU 26 5.954 1.145 -6.980 185 HD13 LEU 26 3HD1 LEU 26 4.466 0.306 -7.510 186 HD21 LEU 26 3HD2 LEU 26 7.443 1.184 -10.367 187 HD22 LEU 26 1HD2 LEU 26 7.846 1.472 -8.675 188 HD23 LEU 26 2HD2 LEU 26 6.621 2.465 -9.464 189 H TYR 27 H TYR 27 6.231 -0.573 -5.150 190 HA TYR 27 HA TYR 27 4.293 -2.691 -5.001 191 HB2 TYR 27 2HB TYR 27 5.500 -0.827 -3.017 192 HB3 TYR 27 1HB TYR 27 4.096 -1.727 -2.529 193 HD1 TYR 27 1HD TYR 27 4.283 -4.300 -2.652 194 HD2 TYR 27 2HD TYR 27 7.659 -1.735 -2.978 195 HE1 TYR 27 1HE TYR 27 5.757 -6.189 -2.112 196 HE2 TYR 27 2HE TYR 27 9.150 -3.628 -2.422 197 HH TYR 27 HH TYR 27 9.077 -5.812 -1.357 198 H ARG 28 H ARG 28 2.625 -2.235 -6.044 199 HA ARG 28 HA ARG 28 1.424 0.429 -6.049 200 HB2 ARG 28 2HB ARG 28 0.692 -2.127 -7.461 201 HB3 ARG 28 1HB ARG 28 -0.267 -0.661 -7.539 202 HG2 ARG 28 2HG ARG 28 1.357 0.453 -8.717 203 HG3 ARG 28 1HG ARG 28 2.602 -0.730 -8.355 204 HD2 ARG 28 2HD ARG 28 1.186 -2.403 -9.587 205 HD3 ARG 28 1HD ARG 28 0.138 -1.160 -10.031 206 HE ARG 28 HE ARG 28 1.865 -0.088 -11.319 207 HH11 ARG 28 1HH1 ARG 28 2.768 -3.249 -10.109 208 HH12 ARG 28 2HH1 ARG 28 3.814 -3.616 -11.412 209 HH21 ARG 28 1HH2 ARG 28 3.287 -0.548 -13.054 210 HH22 ARG 28 2HH2 ARG 28 4.119 -2.035 -13.140 211 H LEU 29 H LEU 29 -0.516 0.789 -5.196 212 HA LEU 29 HA LEU 29 -1.393 -1.232 -3.278 213 HB2 LEU 29 2HB LEU 29 -1.944 1.725 -3.300 214 HB3 LEU 29 1HB LEU 29 -2.293 0.590 -2.006 215 HG LEU 29 HG LEU 29 0.430 1.498 -2.916 216 HD11 LEU 29 1HD1 LEU 29 -0.714 3.178 -1.639 217 HD12 LEU 29 2HD1 LEU 29 0.582 2.449 -0.673 218 HD13 LEU 29 3HD1 LEU 29 -1.094 1.996 -0.385 219 HD21 LEU 29 3HD2 LEU 29 1.296 0.249 -1.059 220 HD22 LEU 29 1HD2 LEU 29 0.515 -0.822 -2.232 221 HD23 LEU 29 2HD2 LEU 29 -0.319 -0.384 -0.716 222 H CYS 30 H CYS 30 -3.066 -2.325 -4.157 223 HA CYS 30 HA CYS 30 -5.067 -0.607 -5.331 224 HB2 CYS 30 2HB CYS 30 -6.045 -2.711 -6.478 225 HB3 CYS 30 1HB CYS 30 -4.490 -2.153 -7.077 226 H CYS 31 H CYS 31 -7.137 -0.701 -4.568 227 HA CYS 31 HA CYS 31 -7.363 -2.332 -2.166 228 HB2 CYS 31 2HB CYS 31 -6.579 0.083 -1.753 229 HB3 CYS 31 1HB CYS 31 -8.188 0.549 -2.300 230 H ARG 32 H ARG 32 -9.418 -3.003 -1.758 231 HA ARG 32 HA ARG 32 -11.125 -2.894 -4.130 232 HB2 ARG 32 2HB ARG 32 -12.464 -4.650 -3.095 233 HB3 ARG 32 1HB ARG 32 -10.759 -5.069 -3.054 234 HG2 ARG 32 2HG ARG 32 -10.651 -4.345 -0.743 235 HG3 ARG 32 1HG ARG 32 -12.369 -3.968 -0.773 236 HD2 ARG 32 2HD ARG 32 -12.845 -6.345 -1.345 237 HD3 ARG 32 1HD ARG 32 -11.117 -6.671 -1.182 238 HE ARG 32 HE ARG 32 -11.511 -5.748 1.193 239 HH11 ARG 32 1HH1 ARG 32 -13.814 -7.780 -0.568 240 HH12 ARG 32 2HH1 ARG 32 -14.432 -8.500 0.849 241 HH21 ARG 32 1HH2 ARG 32 -12.331 -6.720 3.067 242 HH22 ARG 32 2HH2 ARG 32 -13.573 -7.871 2.976 243 H1 ALA 101 H ALA 101 -10.266 5.531 -5.257 244 HA ALA 101 HA ALA 101 -9.491 5.098 -2.515 245 HB1 ALA 101 1HB ALA 101 -10.072 3.171 -3.984 246 HB2 ALA 101 2HB ALA 101 -8.425 3.091 -3.353 247 HB3 ALA 101 3HB ALA 101 -8.684 3.569 -5.005 248 H THR 102 H THR 102 -8.096 6.687 -1.924 249 HA THR 102 HA THR 102 -5.612 6.816 -3.491 250 HB THR 102 HB THR 102 -6.747 8.766 -1.460 251 HG1 THR 102 1HG THR 102 -7.666 8.550 -3.687 252 HG21 THR 102 3HG2 THR 102 -4.281 8.983 -3.211 253 HG22 THR 102 1HG2 THR 102 -4.295 8.755 -1.461 254 HG23 THR 102 2HG2 THR 102 -4.915 10.252 -2.155 255 H CYS 103 H CYS 103 -4.137 5.513 -2.610 256 HA CYS 103 HA CYS 103 -4.218 5.034 0.300 257 HB2 CYS 103 2HB CYS 103 -3.231 3.150 -1.850 258 HB3 CYS 103 1HB CYS 103 -3.365 2.808 -0.137 259 H TYR 104 H TYR 104 -2.054 4.634 1.250 260 HA TYR 104 HA TYR 104 0.191 5.185 -0.355 261 HB2 TYR 104 2HB TYR 104 0.988 7.147 1.087 262 HB3 TYR 104 1HB TYR 104 -0.262 7.478 -0.093 263 HD1 TYR 104 2HD TYR 104 -2.588 7.874 0.675 264 HD2 TYR 104 1HD TYR 104 0.621 7.455 3.435 265 HE1 TYR 104 2HE TYR 104 -3.964 8.914 2.409 266 HE2 TYR 104 1HE TYR 104 -0.754 8.508 5.187 267 HH TYR 104 HH TYR 104 -2.715 10.012 5.371 268 H CYS 105 H CYS 105 2.051 4.498 0.393 269 HA CYS 105 HA CYS 105 1.899 2.515 2.489 270 HB2 CYS 105 2HB CYS 105 4.325 3.333 0.847 271 HB3 CYS 105 1HB CYS 105 4.012 1.807 1.675 272 H ARG 106 H ARG 106 2.175 3.192 4.577 273 HA ARG 106 HA ARG 106 4.296 5.092 4.939 274 HB2 ARG 106 2HB ARG 106 3.060 5.898 7.068 275 HB3 ARG 106 1HB ARG 106 2.622 6.534 5.504 276 HG2 ARG 106 2HG ARG 106 0.630 6.157 6.669 277 HG3 ARG 106 1HG ARG 106 0.781 4.852 5.487 278 HD2 ARG 106 2HD ARG 106 1.540 3.359 7.261 279 HD3 ARG 106 1HD ARG 106 1.379 4.657 8.452 280 HE ARG 106 HE ARG 106 -0.980 3.983 6.892 281 HH11 ARG 106 1HH1 ARG 106 0.616 3.661 10.051 282 HH12 ARG 106 2HH1 ARG 106 -0.780 3.187 10.865 283 HH21 ARG 106 1HH2 ARG 106 -2.971 3.243 8.125 284 HH22 ARG 106 2HH2 ARG 106 -2.772 2.946 9.784 285 H THR 107 H THR 107 5.660 5.036 6.460 286 HA THR 107 HA THR 107 6.276 2.369 7.394 287 HB THR 107 HB THR 107 8.448 3.434 8.054 288 HG1 THR 107 1HG THR 107 7.720 5.572 8.377 289 HG21 THR 107 3HG2 THR 107 7.498 3.918 5.241 290 HG22 THR 107 1HG2 THR 107 8.174 2.415 5.856 291 HG23 THR 107 2HG2 THR 107 9.184 3.861 5.741 292 H GLY 108 H GLY 108 4.188 4.193 8.657 293 HA2 GLY 108 2HA GLY 108 4.676 3.432 11.309 294 HA3 GLY 108 1HA GLY 108 4.939 5.162 11.077 295 H ARG 109 H ARG 109 3.274 6.388 11.270 296 HA ARG 109 HA ARG 109 0.595 5.212 10.964 297 HB2 ARG 109 2HB ARG 109 -0.186 6.849 12.603 298 HB3 ARG 109 1HB ARG 109 1.074 5.834 13.282 299 HG2 ARG 109 2HG ARG 109 2.689 7.599 12.942 300 HG3 ARG 109 1HG ARG 109 1.436 8.618 12.227 301 HD2 ARG 109 2HD ARG 109 0.198 8.540 14.346 302 HD3 ARG 109 1HD ARG 109 1.474 7.546 15.048 303 HE ARG 109 HE ARG 109 2.557 9.907 13.996 304 HH11 ARG 109 1HH1 ARG 109 0.660 8.761 16.734 305 HH12 ARG 109 2HH1 ARG 109 1.099 10.032 17.771 306 HH21 ARG 109 1HH2 ARG 109 3.161 11.684 15.416 307 HH22 ARG 109 2HH2 ARG 109 2.525 11.732 17.003 308 H CYS 110 H CYS 110 -1.057 7.195 10.627 309 HA CYS 110 HA CYS 110 0.043 9.308 9.083 310 HB2 CYS 110 2HB CYS 110 -1.796 8.864 7.306 311 HB3 CYS 110 1HB CYS 110 -0.424 7.793 7.188 312 H ALA 111 H ALA 111 -2.007 10.854 8.628 313 HA ALA 111 HA ALA 111 -2.919 11.283 11.286 314 HB1 ALA 111 1HB ALA 111 -2.430 13.155 9.760 315 HB2 ALA 111 2HB ALA 111 -4.061 13.250 10.413 316 HB3 ALA 111 3HB ALA 111 -3.812 12.701 8.763 317 H THR 112 H THR 112 -4.217 9.647 8.576 318 HA THR 112 HA THR 112 -6.752 9.346 9.888 319 HB THR 112 HB THR 112 -6.894 9.380 7.460 320 HG1 THR 112 1HG THR 112 -8.207 7.766 7.219 321 HG21 THR 112 3HG2 THR 112 -4.969 7.061 7.474 322 HG22 THR 112 1HG2 THR 112 -4.642 8.678 6.877 323 HG23 THR 112 2HG2 THR 112 -5.806 7.650 6.030 324 H ARG 113 H ARG 113 -6.443 8.391 11.748 325 HA ARG 113 HA ARG 113 -4.597 6.180 11.996 326 HB2 ARG 113 2HB ARG 113 -6.214 7.613 14.119 327 HB3 ARG 113 1HB ARG 113 -5.020 6.330 14.349 328 HG2 ARG 113 2HG ARG 113 -4.302 8.892 13.003 329 HG3 ARG 113 1HG ARG 113 -4.215 8.682 14.754 330 HD2 ARG 113 2HD ARG 113 -2.813 6.918 12.729 331 HD3 ARG 113 1HD ARG 113 -2.052 8.203 13.636 332 HE ARG 113 HE ARG 113 -2.858 6.933 15.650 333 HH11 ARG 113 1HH1 ARG 113 -2.072 5.277 12.623 334 HH12 ARG 113 2HH1 ARG 113 -1.433 3.909 13.385 335 HH21 ARG 113 1HH2 ARG 113 -2.024 5.051 16.676 336 HH22 ARG 113 2HH2 ARG 113 -1.410 3.754 15.747 337 H GLU 114 H GLU 114 -7.949 6.652 11.607 338 HA GLU 114 HA GLU 114 -8.710 4.148 12.845 339 HB2 GLU 114 2HB GLU 114 -10.336 5.976 11.073 340 HB3 GLU 114 1HB GLU 114 -10.938 4.623 11.999 341 HG2 GLU 114 2HG GLU 114 -10.346 5.790 14.071 342 HG3 GLU 114 1HG GLU 114 -9.783 7.164 13.118 343 H SER 115 H SER 115 -7.042 4.726 10.114 344 HA SER 115 HA SER 115 -8.424 2.560 8.769 345 HB2 SER 115 2HB SER 115 -9.093 4.657 7.691 346 HB3 SER 115 1HB SER 115 -7.407 5.037 7.368 347 HG SER 115 HG SER 115 -8.499 4.105 5.575 348 H LEU 116 H LEU 116 -6.768 1.167 9.660 349 HA LEU 116 HA LEU 116 -4.434 1.260 7.911 350 HB2 LEU 116 2HB LEU 116 -3.891 0.900 10.314 351 HB3 LEU 116 1HB LEU 116 -4.904 -0.531 10.365 352 HG LEU 116 HG LEU 116 -2.202 -0.261 8.922 353 HD11 LEU 116 1HD1 LEU 116 -2.038 -0.243 11.305 354 HD12 LEU 116 2HD1 LEU 116 -1.433 -1.745 10.614 355 HD13 LEU 116 3HD1 LEU 116 -3.017 -1.708 11.400 356 HD21 LEU 116 3HD2 LEU 116 -3.995 -2.661 9.343 357 HD22 LEU 116 1HD2 LEU 116 -2.407 -2.668 8.582 358 HD23 LEU 116 2HD2 LEU 116 -3.753 -1.853 7.796 359 H SER 117 H SER 117 -4.635 0.314 6.171 360 HA SER 117 HA SER 117 -6.977 -1.395 5.770 361 HB2 SER 117 2HB SER 117 -5.258 0.059 3.786 362 HB3 SER 117 1HB SER 117 -6.841 -0.670 3.503 363 HG SER 117 HG SER 117 -7.418 0.824 5.384 364 H GLY 118 H GLY 118 -3.539 -1.496 5.842 365 HA2 GLY 118 2HA GLY 118 -3.433 -4.247 5.381 366 HA3 GLY 118 1HA GLY 118 -2.965 -3.379 3.918 367 H VAL 119 H VAL 119 -1.211 -5.006 5.254 368 HA VAL 119 HA VAL 119 0.808 -3.040 5.930 369 HB VAL 119 HB VAL 119 1.824 -4.745 7.573 370 HG11 VAL 119 1HG1 VAL 119 0.968 -2.658 8.339 371 HG12 VAL 119 2HG1 VAL 119 0.479 -3.918 9.471 372 HG13 VAL 119 3HG1 VAL 119 -0.682 -3.266 8.297 373 HG21 VAL 119 3HG2 VAL 119 -1.018 -5.714 7.579 374 HG22 VAL 119 1HG2 VAL 119 0.225 -6.189 8.740 375 HG23 VAL 119 2HG2 VAL 119 0.395 -6.623 7.034 376 H CYS 120 H CYS 120 2.781 -3.470 5.257 377 HA CYS 120 HA CYS 120 3.411 -6.071 4.229 378 HB2 CYS 120 2HB CYS 120 4.470 -4.950 2.185 379 HB3 CYS 120 1HB CYS 120 2.718 -5.179 2.086 380 H GLU 121 H GLU 121 5.250 -6.627 5.053 381 HA GLU 121 HA GLU 121 6.972 -4.462 5.874 382 HB2 GLU 121 2HB GLU 121 6.348 -6.014 7.627 383 HB3 GLU 121 1HB GLU 121 6.916 -7.366 6.708 384 HG2 GLU 121 2HG GLU 121 8.788 -5.161 7.518 385 HG3 GLU 121 1HG GLU 121 8.380 -6.429 8.651 386 H ILE 122 H ILE 122 8.659 -4.042 4.902 387 HA ILE 122 HA ILE 122 9.678 -5.884 2.865 388 HB ILE 122 HB ILE 122 9.247 -2.921 2.269 389 HG12 ILE 122 2HG1 ILE 122 7.441 -5.208 1.364 390 HG13 ILE 122 1HG1 ILE 122 7.048 -4.105 2.678 391 HG21 ILE 122 1HG2 ILE 122 9.815 -5.294 0.523 392 HG22 ILE 122 2HG2 ILE 122 10.972 -4.056 1.007 393 HG23 ILE 122 3HG2 ILE 122 9.598 -3.627 -0.013 394 HD11 ILE 122 3HD1 ILE 122 7.592 -3.353 -0.138 395 HD12 ILE 122 1HD1 ILE 122 7.100 -2.277 1.164 396 HD13 ILE 122 2HD1 ILE 122 5.986 -3.537 0.592 397 H SER 123 H SER 123 11.746 -5.945 2.996 398 HA SER 123 HA SER 123 13.909 -5.715 3.661 399 HB2 SER 123 2HB SER 123 14.939 -3.460 3.357 400 HB3 SER 123 1HB SER 123 13.926 -3.924 1.996 401 HG SER 123 HG SER 123 12.357 -2.667 3.650 402 H GLY 124 H GLY 124 11.923 -5.796 5.855 403 HA2 GLY 124 2HA GLY 124 12.268 -5.908 8.117 404 HA3 GLY 124 1HA GLY 124 13.748 -4.975 7.938 405 H ARG 125 H ARG 125 11.311 -3.450 6.297 406 HA ARG 125 HA ARG 125 10.844 -1.596 8.511 407 HB2 ARG 125 2HB ARG 125 12.188 -0.842 6.521 408 HB3 ARG 125 1HB ARG 125 10.788 -1.166 5.523 409 HG2 ARG 125 2HG ARG 125 9.532 0.512 6.790 410 HG3 ARG 125 1HG ARG 125 11.008 0.817 7.725 411 HD2 ARG 125 2HD ARG 125 10.717 1.165 4.737 412 HD3 ARG 125 1HD ARG 125 10.722 2.467 5.918 413 HE ARG 125 HE ARG 125 13.067 1.187 6.366 414 HH11 ARG 125 1HH1 ARG 125 11.591 2.457 3.408 415 HH12 ARG 125 2HH1 ARG 125 13.051 3.020 2.741 416 HH21 ARG 125 1HH2 ARG 125 15.104 1.936 5.417 417 HH22 ARG 125 2HH2 ARG 125 15.078 2.702 3.904 418 H LEU 126 H LEU 126 8.597 -1.165 8.951 419 HA LEU 126 HA LEU 126 6.809 -2.986 7.559 420 HB2 LEU 126 2HB LEU 126 7.005 -2.374 10.219 421 HB3 LEU 126 1HB LEU 126 5.762 -1.254 9.695 422 HG LEU 126 HG LEU 126 4.536 -3.031 10.444 423 HD11 LEU 126 1HD1 LEU 126 3.442 -4.083 8.673 424 HD12 LEU 126 2HD1 LEU 126 4.718 -3.597 7.570 425 HD13 LEU 126 3HD1 LEU 126 3.717 -2.355 8.388 426 HD21 LEU 126 3HD2 LEU 126 6.527 -4.879 9.161 427 HD22 LEU 126 1HD2 LEU 126 5.013 -5.410 9.914 428 HD23 LEU 126 2HD2 LEU 126 6.249 -4.611 10.878 429 H TYR 127 H TYR 127 5.583 -2.248 5.982 430 HA TYR 127 HA TYR 127 4.977 0.582 5.809 431 HB2 TYR 127 2HB TYR 127 5.152 -1.650 3.849 432 HB3 TYR 127 1HB TYR 127 4.347 -0.204 3.341 433 HD1 TYR 127 1HD TYR 127 5.752 1.958 3.372 434 HD2 TYR 127 2HD TYR 127 7.475 -1.906 3.825 435 HE1 TYR 127 1HE TYR 127 7.946 2.872 2.764 436 HE2 TYR 127 2HE TYR 127 9.682 -0.990 3.209 437 HH TYR 127 HH TYR 127 10.583 0.923 1.974 438 H ARG 128 H ARG 128 3.136 0.980 6.766 439 HA ARG 128 HA ARG 128 0.888 -0.892 6.619 440 HB2 ARG 128 2HB ARG 128 1.394 1.634 8.118 441 HB3 ARG 128 1HB ARG 128 -0.225 0.972 7.976 442 HG2 ARG 128 2HG ARG 128 0.338 -0.908 9.189 443 HG3 ARG 128 1HG ARG 128 2.062 -0.620 9.107 444 HD2 ARG 128 2HD ARG 128 1.604 1.524 10.384 445 HD3 ARG 128 1HD ARG 128 -0.020 1.014 10.518 446 HE ARG 128 HE ARG 128 0.646 -0.865 11.853 447 HH11 ARG 128 1HH1 ARG 128 3.226 1.416 11.232 448 HH12 ARG 128 2HH1 ARG 128 4.020 1.193 12.726 449 HH21 ARG 128 1HH2 ARG 128 1.732 -1.256 13.889 450 HH22 ARG 128 2HH2 ARG 128 3.166 -0.410 14.260 451 H LEU 129 H LEU 129 -1.012 -0.312 5.713 452 HA LEU 129 HA LEU 129 -0.735 1.789 3.694 453 HB2 LEU 129 2HB LEU 129 -2.535 -0.620 3.707 454 HB3 LEU 129 1HB LEU 129 -2.327 0.525 2.393 455 HG LEU 129 HG LEU 129 -0.277 -1.426 3.422 456 HD11 LEU 129 1HD1 LEU 129 -1.803 -1.297 0.843 457 HD12 LEU 129 2HD1 LEU 129 -1.958 -2.526 2.109 458 HD13 LEU 129 3HD1 LEU 129 -0.456 -2.376 1.177 459 HD21 LEU 129 3HD2 LEU 129 0.822 0.605 2.727 460 HD22 LEU 129 1HD2 LEU 129 -0.093 0.570 1.198 461 HD23 LEU 129 2HD2 LEU 129 1.070 -0.709 1.566 462 H CYS 130 H CYS 130 -1.883 3.535 4.179 463 HA CYS 130 HA CYS 130 -4.510 2.986 5.214 464 HB2 CYS 130 2HB CYS 130 -4.460 5.501 6.022 465 HB3 CYS 130 1HB CYS 130 -3.678 4.264 6.992 466 H CYS 131 H CYS 131 -6.239 3.916 4.227 467 HA CYS 131 HA CYS 131 -5.532 5.258 1.762 468 HB2 CYS 131 2HB CYS 131 -5.571 2.768 1.477 469 HB3 CYS 131 1HB CYS 131 -7.276 2.811 1.895 470 H ARG 132 H ARG 132 -7.164 6.373 0.868 471 HA ARG 132 HA ARG 132 -9.567 6.671 2.433 472 HB2 ARG 132 2HB ARG 132 -9.512 9.129 1.719 473 HB3 ARG 132 1HB ARG 132 -8.407 8.625 2.989 474 HG2 ARG 132 2HG ARG 132 -6.712 9.344 1.856 475 HG3 ARG 132 1HG ARG 132 -7.127 8.346 0.472 476 HD2 ARG 132 2HD ARG 132 -8.296 11.079 1.049 477 HD3 ARG 132 1HD ARG 132 -7.028 10.752 -0.131 478 HE ARG 132 HE ARG 132 -9.075 9.040 -0.734 479 HH11 ARG 132 1HH1 ARG 132 -8.727 12.558 -0.580 480 HH12 ARG 132 2HH1 ARG 132 -9.817 12.860 -1.855 481 HH21 ARG 132 1HH2 ARG 132 -10.561 9.473 -2.470 482 HH22 ARG 132 2HH2 ARG 132 -10.888 11.065 -2.965 Start of MODEL 14 1 H1 ALA 1 1HT ALA 1 -10.806 -0.705 5.154 2 H2 ALA 1 2HT ALA 1 -11.910 -1.754 4.447 3 H3 ALA 1 3HT ALA 1 -12.155 -0.081 4.335 4 HA ALA 1 HA ALA 1 -11.297 -0.986 2.270 5 HB1 ALA 1 2HB ALA 1 -9.346 0.477 2.035 6 HB2 ALA 1 3HB ALA 1 -9.230 0.634 3.780 7 HB3 ALA 1 1HB ALA 1 -10.626 1.301 2.930 8 H THR 2 H THR 2 -10.236 -2.721 1.426 9 HA THR 2 HA THR 2 -8.173 -3.972 3.113 10 HB THR 2 HB THR 2 -9.707 -5.116 0.775 11 HG1 THR 2 1HG THR 2 -10.734 -4.638 2.998 12 HG21 THR 2 3HG2 THR 2 -8.818 -7.289 1.576 13 HG22 THR 2 1HG2 THR 2 -7.868 -6.438 2.793 14 HG23 THR 2 2HG2 THR 2 -7.541 -6.196 1.069 15 H CYS 3 H CYS 3 -6.224 -3.296 2.486 16 HA CYS 3 HA CYS 3 -5.722 -2.954 -0.392 17 HB2 CYS 3 2HB CYS 3 -4.405 -1.428 1.873 18 HB3 CYS 3 1HB CYS 3 -4.126 -1.195 0.165 19 H TYR 4 H TYR 4 -3.421 -3.505 -0.938 20 HA TYR 4 HA TYR 4 -1.788 -4.660 1.038 21 HB2 TYR 4 2HB TYR 4 -1.672 -6.940 0.016 22 HB3 TYR 4 1HB TYR 4 -3.250 -6.602 0.703 23 HD1 TYR 4 2HD TYR 4 -5.157 -6.104 -0.814 24 HD2 TYR 4 1HD TYR 4 -1.387 -7.405 -2.267 25 HE1 TYR 4 2HE TYR 4 -6.204 -6.684 -2.916 26 HE2 TYR 4 1HE TYR 4 -2.399 -8.002 -4.401 27 HH TYR 4 HH TYR 4 -5.498 -6.969 -5.262 28 H CYS 5 H CYS 5 0.308 -5.046 0.220 29 HA CYS 5 HA CYS 5 0.864 -3.204 -1.934 30 HB2 CYS 5 2HB CYS 5 2.841 -4.690 -0.160 31 HB3 CYS 5 1HB CYS 5 3.074 -3.226 -1.122 32 H ARG 6 H ARG 6 0.749 -4.167 -3.980 33 HA ARG 6 HA ARG 6 2.131 -6.749 -4.188 34 HB2 ARG 6 2HB ARG 6 0.717 -7.399 -6.020 35 HB3 ARG 6 1HB ARG 6 -0.260 -7.077 -4.622 36 HG2 ARG 6 2HG ARG 6 -0.866 -4.888 -5.637 37 HG3 ARG 6 1HG ARG 6 0.071 -5.359 -7.065 38 HD2 ARG 6 2HD ARG 6 -2.336 -6.746 -5.916 39 HD3 ARG 6 1HD ARG 6 -2.182 -5.940 -7.481 40 HE ARG 6 HE ARG 6 -0.392 -7.723 -7.891 41 HH11 ARG 6 1HH1 ARG 6 -3.443 -8.373 -6.071 42 HH12 ARG 6 2HH1 ARG 6 -3.379 -10.023 -6.436 43 HH21 ARG 6 1HH2 ARG 6 -0.398 -9.968 -8.315 44 HH22 ARG 6 2HH2 ARG 6 -1.650 -10.965 -7.705 45 H THR 7 H THR 7 3.046 -7.154 -6.377 46 HA THR 7 HA THR 7 4.376 -4.651 -7.040 47 HB THR 7 HB THR 7 6.177 -6.086 -7.932 48 HG1 THR 7 1HG THR 7 5.364 -7.980 -8.400 49 HG21 THR 7 3HG2 THR 7 6.216 -5.250 -5.645 50 HG22 THR 7 1HG2 THR 7 6.924 -6.862 -5.734 51 HG23 THR 7 2HG2 THR 7 5.287 -6.650 -5.114 52 H GLY 8 H GLY 8 1.827 -6.067 -8.248 53 HA2 GLY 8 2HA GLY 8 2.572 -5.279 -10.951 54 HA3 GLY 8 1HA GLY 8 2.133 -6.966 -10.720 55 H ARG 9 H ARG 9 0.298 -7.126 -11.705 56 HA ARG 9 HA ARG 9 -1.700 -5.056 -11.376 57 HB2 ARG 9 2HB ARG 9 -2.966 -6.345 -13.100 58 HB3 ARG 9 1HB ARG 9 -1.400 -5.768 -13.641 59 HG2 ARG 9 2HG ARG 9 -0.445 -7.931 -13.454 60 HG3 ARG 9 1HG ARG 9 -1.867 -8.548 -12.611 61 HD2 ARG 9 2HD ARG 9 -1.881 -7.518 -15.440 62 HD3 ARG 9 1HD ARG 9 -1.693 -9.222 -15.027 63 HE ARG 9 HE ARG 9 -3.923 -8.754 -13.765 64 HH11 ARG 9 1HH1 ARG 9 -3.081 -7.505 -16.979 65 HH12 ARG 9 2HH1 ARG 9 -4.685 -7.588 -17.552 66 HH21 ARG 9 1HH2 ARG 9 -6.079 -8.832 -14.561 67 HH22 ARG 9 2HH2 ARG 9 -6.437 -8.341 -16.154 68 H CYS 10 H CYS 10 -3.925 -5.820 -10.925 69 HA CYS 10 HA CYS 10 -4.171 -8.337 -9.586 70 HB2 CYS 10 2HB CYS 10 -5.934 -7.063 -8.110 71 HB3 CYS 10 1HB CYS 10 -4.242 -6.851 -7.703 72 H ALA 11 H ALA 11 -6.807 -8.731 -9.453 73 HA ALA 11 HA ALA 11 -7.292 -9.193 -12.221 74 HB1 ALA 11 1HB ALA 11 -9.178 -9.530 -9.885 75 HB2 ALA 11 2HB ALA 11 -8.047 -10.745 -10.472 76 HB3 ALA 11 3HB ALA 11 -9.387 -10.222 -11.493 77 H THR 12 H THR 12 -8.259 -6.727 -10.053 78 HA THR 12 HA THR 12 -9.803 -5.564 -12.193 79 HB THR 12 HB THR 12 -10.799 -5.346 -9.975 80 HG1 THR 12 1HG THR 12 -9.865 -2.744 -10.344 81 HG21 THR 12 3HG2 THR 12 -8.224 -4.000 -9.176 82 HG22 THR 12 1HG2 THR 12 -8.844 -5.522 -8.557 83 HG23 THR 12 2HG2 THR 12 -9.677 -4.003 -8.178 84 H ARG 13 H ARG 13 -8.331 -5.033 -13.722 85 HA ARG 13 HA ARG 13 -5.672 -4.226 -13.032 86 HB2 ARG 13 2HB ARG 13 -6.668 -5.460 -15.194 87 HB3 ARG 13 1HB ARG 13 -6.710 -3.819 -15.800 88 HG2 ARG 13 2HG ARG 13 -4.267 -5.363 -14.894 89 HG3 ARG 13 1HG ARG 13 -4.689 -4.930 -16.538 90 HD2 ARG 13 2HD ARG 13 -4.402 -2.489 -15.835 91 HD3 ARG 13 1HD ARG 13 -3.812 -3.151 -14.291 92 HE ARG 13 HE ARG 13 -2.071 -4.306 -15.636 93 HH11 ARG 13 1HH1 ARG 13 -3.414 -1.186 -16.855 94 HH12 ARG 13 2HH1 ARG 13 -2.018 -0.865 -17.737 95 HH21 ARG 13 1HH2 ARG 13 -0.212 -3.748 -16.866 96 HH22 ARG 13 2HH2 ARG 13 -0.157 -2.306 -17.761 97 H GLU 14 H GLU 14 -5.301 -2.355 -12.261 98 HA GLU 14 HA GLU 14 -5.012 -0.235 -12.002 99 HB2 GLU 14 2HB GLU 14 -6.463 0.154 -14.597 100 HB3 GLU 14 1HB GLU 14 -5.865 1.509 -13.645 101 HG2 GLU 14 2HG GLU 14 -3.607 0.658 -13.797 102 HG3 GLU 14 1HG GLU 14 -4.178 -0.761 -14.668 103 H SER 15 H SER 15 -5.941 -0.652 -10.237 104 HA SER 15 HA SER 15 -8.056 1.213 -9.582 105 HB2 SER 15 2HB SER 15 -7.813 -1.657 -8.574 106 HB3 SER 15 1HB SER 15 -8.999 -0.475 -8.010 107 HG SER 15 HG SER 15 -9.060 -0.639 -10.681 108 H LEU 16 H LEU 16 -5.389 1.381 -9.804 109 HA LEU 16 HA LEU 16 -3.933 0.781 -7.407 110 HB2 LEU 16 2HB LEU 16 -3.002 0.606 -9.730 111 HB3 LEU 16 1HB LEU 16 -3.285 2.300 -9.955 112 HG LEU 16 HG LEU 16 -1.147 1.091 -8.151 113 HD11 LEU 16 1HD1 LEU 16 -0.777 0.761 -10.499 114 HD12 LEU 16 2HD1 LEU 16 0.340 1.950 -9.817 115 HD13 LEU 16 3HD1 LEU 16 -1.033 2.483 -10.789 116 HD21 LEU 16 3HD2 LEU 16 -0.349 3.504 -8.099 117 HD22 LEU 16 1HD2 LEU 16 -1.912 3.284 -7.295 118 HD23 LEU 16 2HD2 LEU 16 -1.829 3.929 -8.918 119 H SER 17 H SER 17 -3.917 2.025 -5.787 120 HA SER 17 HA SER 17 -5.023 4.732 -6.002 121 HB2 SER 17 2HB SER 17 -5.677 4.369 -3.623 122 HB3 SER 17 1HB SER 17 -6.454 3.297 -4.789 123 HG SER 17 HG SER 17 -5.467 2.422 -2.751 124 H GLY 18 H GLY 18 -2.192 3.059 -5.449 125 HA2 GLY 18 2HA GLY 18 -0.751 5.377 -4.858 126 HA3 GLY 18 1HA GLY 18 -0.941 4.408 -3.398 127 H VAL 19 H VAL 19 1.525 4.902 -4.593 128 HA VAL 19 HA VAL 19 2.284 2.165 -5.139 129 HB VAL 19 HB VAL 19 4.059 3.075 -6.756 130 HG11 VAL 19 1HG1 VAL 19 2.403 1.589 -7.535 131 HG12 VAL 19 2HG1 VAL 19 2.412 2.932 -8.696 132 HG13 VAL 19 3HG1 VAL 19 1.173 2.823 -7.429 133 HG21 VAL 19 3HG2 VAL 19 3.689 5.438 -6.414 134 HG22 VAL 19 1HG2 VAL 19 2.025 5.286 -6.981 135 HG23 VAL 19 2HG2 VAL 19 3.366 5.016 -8.098 136 H CYS 20 H CYS 20 4.177 1.564 -4.429 137 HA CYS 20 HA CYS 20 5.951 3.538 -3.315 138 HB2 CYS 20 2HB CYS 20 6.257 1.856 -1.368 139 HB3 CYS 20 1HB CYS 20 4.936 3.029 -1.261 140 H GLU 21 H GLU 21 7.849 3.213 -4.115 141 HA GLU 21 HA GLU 21 8.412 0.544 -5.062 142 HB2 GLU 21 2HB GLU 21 8.635 2.319 -6.699 143 HB3 GLU 21 1HB GLU 21 9.686 3.208 -5.659 144 HG2 GLU 21 2HG GLU 21 10.502 0.466 -6.479 145 HG3 GLU 21 1HG GLU 21 10.655 1.750 -7.656 146 H ILE 22 H ILE 22 9.722 -0.663 -4.059 147 HA ILE 22 HA ILE 22 11.306 0.554 -1.938 148 HB ILE 22 HB ILE 22 9.743 -2.041 -1.538 149 HG12 ILE 22 2HG1 ILE 22 9.072 0.755 -0.499 150 HG13 ILE 22 1HG1 ILE 22 8.252 -0.058 -1.821 151 HG21 ILE 22 1HG2 ILE 22 10.354 -1.761 0.767 152 HG22 ILE 22 2HG2 ILE 22 11.261 -0.302 0.365 153 HG23 ILE 22 3HG2 ILE 22 11.790 -1.862 -0.256 154 HD11 ILE 22 3HD1 ILE 22 7.554 -1.761 -0.395 155 HD12 ILE 22 1HD1 ILE 22 7.064 -0.188 0.255 156 HD13 ILE 22 2HD1 ILE 22 8.460 -1.045 0.951 157 H SER 23 H SER 23 13.185 0.166 -2.330 158 HA SER 23 HA SER 23 15.187 -0.581 -3.075 159 HB2 SER 23 2HB SER 23 15.731 -2.980 -2.530 160 HB3 SER 23 1HB SER 23 15.011 -2.085 -1.199 161 HG SER 23 HG SER 23 13.028 -3.179 -2.525 162 H GLY 24 H GLY 24 13.175 -0.346 -5.170 163 HA2 GLY 24 2HA GLY 24 13.734 -0.530 -7.479 164 HA3 GLY 24 1HA GLY 24 14.564 -2.036 -7.135 165 H ARG 25 H ARG 25 11.910 -2.473 -5.459 166 HA ARG 25 HA ARG 25 10.538 -3.759 -7.708 167 HB2 ARG 25 2HB ARG 25 11.448 -5.063 -5.698 168 HB3 ARG 25 1HB ARG 25 10.229 -4.253 -4.737 169 HG2 ARG 25 2HG ARG 25 8.484 -5.291 -6.100 170 HG3 ARG 25 1HG ARG 25 9.754 -6.073 -7.058 171 HD2 ARG 25 2HD ARG 25 10.587 -7.194 -5.043 172 HD3 ARG 25 1HD ARG 25 9.295 -6.455 -4.096 173 HE ARG 25 HE ARG 25 8.598 -8.163 -6.350 174 HH11 ARG 25 1HH1 ARG 25 8.659 -7.682 -2.820 175 HH12 ARG 25 2HH1 ARG 25 7.868 -9.134 -2.459 176 HH21 ARG 25 1HH2 ARG 25 7.430 -10.176 -5.822 177 HH22 ARG 25 2HH2 ARG 25 7.126 -10.566 -4.198 178 H LEU 26 H LEU 26 8.414 -2.990 -8.185 179 HA LEU 26 HA LEU 26 7.702 -0.604 -6.683 180 HB2 LEU 26 2HB LEU 26 7.780 -0.979 -9.334 181 HB3 LEU 26 1HB LEU 26 6.158 -1.561 -9.030 182 HG LEU 26 HG LEU 26 5.743 0.609 -9.595 183 HD11 LEU 26 1HD1 LEU 26 4.661 0.217 -7.563 184 HD12 LEU 26 2HD1 LEU 26 5.128 1.912 -7.814 185 HD13 LEU 26 3HD1 LEU 26 6.056 0.913 -6.692 186 HD21 LEU 26 3HD2 LEU 26 7.137 2.555 -8.805 187 HD22 LEU 26 1HD2 LEU 26 7.923 1.428 -9.923 188 HD23 LEU 26 2HD2 LEU 26 8.281 1.323 -8.228 189 H TYR 27 H TYR 27 6.253 -0.825 -5.128 190 HA TYR 27 HA TYR 27 4.382 -3.027 -5.196 191 HB2 TYR 27 2HB TYR 27 5.379 -1.185 -3.057 192 HB3 TYR 27 1HB TYR 27 4.067 -2.267 -2.703 193 HD1 TYR 27 1HD TYR 27 4.553 -4.781 -2.809 194 HD2 TYR 27 2HD TYR 27 7.632 -1.861 -3.085 195 HE1 TYR 27 1HE TYR 27 6.239 -6.502 -2.274 196 HE2 TYR 27 2HE TYR 27 9.315 -3.596 -2.539 197 HH TYR 27 HH TYR 27 9.468 -5.728 -1.469 198 H ARG 28 H ARG 28 2.584 -2.556 -6.122 199 HA ARG 28 HA ARG 28 1.430 0.124 -6.173 200 HB2 ARG 28 2HB ARG 28 0.695 -2.451 -7.507 201 HB3 ARG 28 1HB ARG 28 -0.338 -1.037 -7.557 202 HG2 ARG 28 2HG ARG 28 1.288 0.196 -8.733 203 HG3 ARG 28 1HG ARG 28 2.493 -1.065 -8.559 204 HD2 ARG 28 2HD ARG 28 0.867 -2.570 -9.819 205 HD3 ARG 28 1HD ARG 28 -0.104 -1.195 -10.070 206 HE ARG 28 HE ARG 28 1.401 -0.233 -11.535 207 HH11 ARG 28 1HH1 ARG 28 2.796 -3.199 -10.219 208 HH12 ARG 28 2HH1 ARG 28 3.891 -3.426 -11.517 209 HH21 ARG 28 1HH2 ARG 28 2.934 -0.564 -13.319 210 HH22 ARG 28 2HH2 ARG 28 3.944 -1.939 -13.279 211 H LEU 29 H LEU 29 -0.407 0.610 -5.187 212 HA LEU 29 HA LEU 29 -1.498 -1.391 -3.378 213 HB2 LEU 29 2HB LEU 29 -1.967 1.583 -3.465 214 HB3 LEU 29 1HB LEU 29 -2.443 0.473 -2.198 215 HG LEU 29 HG LEU 29 0.366 1.282 -2.898 216 HD11 LEU 29 1HD1 LEU 29 0.372 2.288 -0.681 217 HD12 LEU 29 2HD1 LEU 29 -1.346 1.906 -0.503 218 HD13 LEU 29 3HD1 LEU 29 -0.809 3.035 -1.755 219 HD21 LEU 29 3HD2 LEU 29 1.023 0.045 -0.950 220 HD22 LEU 29 1HD2 LEU 29 0.310 -1.028 -2.166 221 HD23 LEU 29 2HD2 LEU 29 -0.631 -0.521 -0.731 222 H CYS 30 H CYS 30 -3.044 -2.437 -4.537 223 HA CYS 30 HA CYS 30 -5.062 -0.637 -5.577 224 HB2 CYS 30 2HB CYS 30 -5.896 -2.473 -7.130 225 HB3 CYS 30 1HB CYS 30 -4.268 -1.930 -7.503 226 H CYS 31 H CYS 31 -6.796 -0.530 -4.516 227 HA CYS 31 HA CYS 31 -6.944 -2.425 -2.288 228 HB2 CYS 31 2HB CYS 31 -6.131 -0.088 -1.835 229 HB3 CYS 31 1HB CYS 31 -7.729 0.478 -2.289 230 H ARG 32 H ARG 32 -8.946 -2.999 -1.536 231 HA ARG 32 HA ARG 32 -11.207 -2.462 -3.346 232 HB2 ARG 32 2HB ARG 32 -11.987 -4.769 -2.864 233 HB3 ARG 32 1HB ARG 32 -10.411 -4.744 -3.646 234 HG2 ARG 32 2HG ARG 32 -9.329 -5.103 -1.483 235 HG3 ARG 32 1HG ARG 32 -10.927 -5.117 -0.729 236 HD2 ARG 32 2HD ARG 32 -10.003 -7.068 -2.836 237 HD3 ARG 32 1HD ARG 32 -9.998 -7.354 -1.091 238 HE ARG 32 HE ARG 32 -12.558 -6.598 -1.708 239 HH11 ARG 32 1HH1 ARG 32 -10.430 -9.235 -2.675 240 HH12 ARG 32 2HH1 ARG 32 -11.696 -10.358 -2.878 241 HH21 ARG 32 1HH2 ARG 32 -14.269 -8.124 -1.958 242 HH22 ARG 32 2HH2 ARG 32 -13.913 -9.731 -2.462 243 H1 ALA 101 H ALA 101 -9.256 5.592 -5.778 244 HA ALA 101 HA ALA 101 -10.022 5.517 -3.058 245 HB1 ALA 101 1HB ALA 101 -8.599 3.562 -2.500 246 HB2 ALA 101 2HB ALA 101 -8.396 3.235 -4.220 247 HB3 ALA 101 3HB ALA 101 -9.989 3.113 -3.480 248 H THR 102 H THR 102 -8.213 6.176 -1.749 249 HA THR 102 HA THR 102 -5.752 6.874 -3.184 250 HB THR 102 HB THR 102 -7.234 8.638 -1.216 251 HG1 THR 102 1HG THR 102 -7.049 8.557 -4.007 252 HG21 THR 102 3HG2 THR 102 -5.524 10.315 -1.804 253 HG22 THR 102 1HG2 THR 102 -4.728 9.140 -2.853 254 HG23 THR 102 2HG2 THR 102 -4.779 8.878 -1.110 255 H CYS 103 H CYS 103 -4.228 5.685 -2.223 256 HA CYS 103 HA CYS 103 -4.339 5.393 0.694 257 HB2 CYS 103 2HB CYS 103 -3.513 3.146 -1.154 258 HB3 CYS 103 1HB CYS 103 -3.890 3.054 0.552 259 H TYR 104 H TYR 104 -2.005 4.572 1.421 260 HA TYR 104 HA TYR 104 0.058 5.001 -0.402 261 HB2 TYR 104 2HB TYR 104 1.145 6.973 0.792 262 HB3 TYR 104 1HB TYR 104 -0.248 7.343 -0.196 263 HD1 TYR 104 2HD TYR 104 -2.459 7.798 0.975 264 HD2 TYR 104 1HD TYR 104 1.238 7.588 3.079 265 HE1 TYR 104 2HE TYR 104 -3.461 9.051 2.825 266 HE2 TYR 104 1HE TYR 104 0.244 8.857 4.945 267 HH TYR 104 HH TYR 104 -1.593 10.437 5.276 268 H CYS 105 H CYS 105 1.992 4.302 0.215 269 HA CYS 105 HA CYS 105 1.914 2.451 2.435 270 HB2 CYS 105 2HB CYS 105 4.241 2.983 0.588 271 HB3 CYS 105 1HB CYS 105 3.881 1.557 1.544 272 H ARG 106 H ARG 106 2.558 3.328 4.440 273 HA ARG 106 HA ARG 106 5.141 4.631 4.361 274 HB2 ARG 106 2HB ARG 106 4.617 6.419 5.871 275 HB3 ARG 106 1HB ARG 106 3.567 6.510 4.490 276 HG2 ARG 106 2HG ARG 106 1.723 5.658 5.781 277 HG3 ARG 106 1HG ARG 106 2.789 5.423 7.176 278 HD2 ARG 106 2HD ARG 106 2.142 8.049 5.839 279 HD3 ARG 106 1HD ARG 106 1.577 7.511 7.424 280 HE ARG 106 HE ARG 106 4.325 7.384 7.535 281 HH11 ARG 106 1HH1 ARG 106 1.958 9.984 7.055 282 HH12 ARG 106 2HH1 ARG 106 3.015 11.192 7.628 283 HH21 ARG 106 1HH2 ARG 106 5.720 9.052 8.316 284 HH22 ARG 106 2HH2 ARG 106 5.172 10.659 8.369 285 H THR 107 H THR 107 6.192 4.776 6.497 286 HA THR 107 HA THR 107 5.821 2.197 7.691 287 HB THR 107 HB THR 107 8.067 2.817 8.708 288 HG1 THR 107 1HG THR 107 8.227 4.984 8.464 289 HG21 THR 107 3HG2 THR 107 7.736 2.749 5.713 290 HG22 THR 107 1HG2 THR 107 7.812 1.349 6.778 291 HG23 THR 107 2HG2 THR 107 9.227 2.397 6.580 292 H GLY 108 H GLY 108 4.157 4.718 8.313 293 HA2 GLY 108 2HA GLY 108 4.289 4.353 11.188 294 HA3 GLY 108 1HA GLY 108 4.604 5.981 10.601 295 H ARG 109 H ARG 109 2.854 6.902 11.465 296 HA ARG 109 HA ARG 109 0.135 5.936 10.711 297 HB2 ARG 109 2HB ARG 109 -0.628 7.503 12.458 298 HB3 ARG 109 1HB ARG 109 0.420 6.252 13.115 299 HG2 ARG 109 2HG ARG 109 2.283 7.794 13.130 300 HG3 ARG 109 1HG ARG 109 1.271 9.041 12.407 301 HD2 ARG 109 2HD ARG 109 0.700 7.731 15.055 302 HD3 ARG 109 1HD ARG 109 1.592 9.242 14.897 303 HE ARG 109 HE ARG 109 -0.725 9.652 13.540 304 HH11 ARG 109 1HH1 ARG 109 0.040 8.632 16.840 305 HH12 ARG 109 2HH1 ARG 109 -1.257 9.440 17.572 306 HH21 ARG 109 1HH2 ARG 109 -2.580 10.771 14.550 307 HH22 ARG 109 2HH2 ARG 109 -2.783 10.681 16.233 308 H CYS 110 H CYS 110 -1.482 7.464 10.274 309 HA CYS 110 HA CYS 110 -0.367 9.297 8.324 310 HB2 CYS 110 2HB CYS 110 -2.772 7.487 8.097 311 HB3 CYS 110 1HB CYS 110 -2.021 8.534 6.902 312 H ALA 111 H ALA 111 -2.143 10.918 7.733 313 HA ALA 111 HA ALA 111 -3.360 11.937 10.088 314 HB1 ALA 111 1HB ALA 111 -3.857 12.640 7.178 315 HB2 ALA 111 2HB ALA 111 -2.690 13.420 8.244 316 HB3 ALA 111 3HB ALA 111 -4.417 13.577 8.564 317 H THR 112 H THR 112 -4.400 10.026 7.340 318 HA THR 112 HA THR 112 -7.000 9.696 8.408 319 HB THR 112 HB THR 112 -6.753 9.420 5.995 320 HG1 THR 112 1HG THR 112 -7.390 6.974 5.940 321 HG21 THR 112 3HG2 THR 112 -4.871 7.147 6.624 322 HG22 THR 112 1HG2 THR 112 -4.425 8.663 5.860 323 HG23 THR 112 2HG2 THR 112 -5.461 7.518 5.000 324 H ARG 113 H ARG 113 -6.811 9.070 10.440 325 HA ARG 113 HA ARG 113 -5.241 6.751 11.161 326 HB2 ARG 113 2HB ARG 113 -6.992 8.567 12.853 327 HB3 ARG 113 1HB ARG 113 -6.021 7.199 13.425 328 HG2 ARG 113 2HG ARG 113 -4.832 9.557 12.030 329 HG3 ARG 113 1HG ARG 113 -5.014 9.456 13.785 330 HD2 ARG 113 2HD ARG 113 -3.511 7.467 12.071 331 HD3 ARG 113 1HD ARG 113 -2.776 8.750 13.014 332 HE ARG 113 HE ARG 113 -4.039 7.570 14.943 333 HH11 ARG 113 1HH1 ARG 113 -2.504 5.873 12.238 334 HH12 ARG 113 2HH1 ARG 113 -2.011 4.554 13.182 335 HH21 ARG 113 1HH2 ARG 113 -3.373 5.797 16.204 336 HH22 ARG 113 2HH2 ARG 113 -2.496 4.500 15.508 337 H GLU 114 H GLU 114 -6.524 5.229 12.766 338 HA GLU 114 HA GLU 114 -8.023 3.591 13.009 339 HB2 GLU 114 2HB GLU 114 -9.754 5.249 13.281 340 HB3 GLU 114 1HB GLU 114 -9.855 5.495 11.547 341 HG2 GLU 114 2HG GLU 114 -10.720 3.224 11.283 342 HG3 GLU 114 1HG GLU 114 -10.627 3.000 13.028 343 H SER 115 H SER 115 -8.173 4.891 9.750 344 HA SER 115 HA SER 115 -8.778 2.332 8.669 345 HB2 SER 115 2HB SER 115 -9.803 4.317 7.682 346 HB3 SER 115 1HB SER 115 -8.217 4.943 7.254 347 HG SER 115 HG SER 115 -8.734 3.981 5.461 348 H LEU 116 H LEU 116 -6.887 1.290 9.511 349 HA LEU 116 HA LEU 116 -4.659 1.537 7.638 350 HB2 LEU 116 2HB LEU 116 -4.005 1.367 10.039 351 HB3 LEU 116 1HB LEU 116 -4.907 -0.129 10.222 352 HG LEU 116 HG LEU 116 -2.264 0.271 8.716 353 HD11 LEU 116 1HD1 LEU 116 -2.083 0.416 11.099 354 HD12 LEU 116 2HD1 LEU 116 -1.367 -1.071 10.475 355 HD13 LEU 116 3HD1 LEU 116 -2.942 -1.114 11.273 356 HD21 LEU 116 3HD2 LEU 116 -3.800 -2.267 9.292 357 HD22 LEU 116 1HD2 LEU 116 -2.259 -2.116 8.452 358 HD23 LEU 116 2HD2 LEU 116 -3.733 -1.500 7.705 359 H SER 117 H SER 117 -4.804 0.444 5.991 360 HA SER 117 HA SER 117 -7.103 -1.334 5.737 361 HB2 SER 117 2HB SER 117 -5.429 0.038 3.664 362 HB3 SER 117 1HB SER 117 -6.975 -0.772 3.410 363 HG SER 117 HG SER 117 -7.730 0.768 5.104 364 H GLY 118 H GLY 118 -3.656 -1.387 5.699 365 HA2 GLY 118 2HA GLY 118 -3.551 -4.177 5.558 366 HA3 GLY 118 1HA GLY 118 -3.140 -3.489 3.988 367 H VAL 119 H VAL 119 -1.314 -4.936 5.471 368 HA VAL 119 HA VAL 119 0.674 -2.845 5.791 369 HB VAL 119 HB VAL 119 1.869 -4.279 7.497 370 HG11 VAL 119 1HG1 VAL 119 0.665 -3.441 9.407 371 HG12 VAL 119 2HG1 VAL 119 -0.750 -3.140 8.402 372 HG13 VAL 119 3HG1 VAL 119 0.750 -2.220 8.139 373 HG21 VAL 119 3HG2 VAL 119 0.513 -5.798 8.869 374 HG22 VAL 119 1HG2 VAL 119 0.661 -6.342 7.193 375 HG23 VAL 119 2HG2 VAL 119 -0.831 -5.571 7.743 376 H CYS 120 H CYS 120 2.732 -3.460 5.356 377 HA CYS 120 HA CYS 120 3.217 -6.091 4.350 378 HB2 CYS 120 2HB CYS 120 4.332 -5.094 2.277 379 HB3 CYS 120 1HB CYS 120 2.559 -5.174 2.211 380 H GLU 121 H GLU 121 4.995 -6.689 5.300 381 HA GLU 121 HA GLU 121 6.821 -4.569 6.028 382 HB2 GLU 121 2HB GLU 121 6.106 -5.986 7.853 383 HB3 GLU 121 1HB GLU 121 6.616 -7.410 7.013 384 HG2 GLU 121 2HG GLU 121 8.575 -5.249 7.728 385 HG3 GLU 121 1HG GLU 121 8.132 -6.464 8.903 386 H ILE 122 H ILE 122 8.459 -4.269 4.995 387 HA ILE 122 HA ILE 122 9.406 -6.299 3.111 388 HB ILE 122 HB ILE 122 8.956 -3.391 2.256 389 HG12 ILE 122 2HG1 ILE 122 7.227 -5.835 1.655 390 HG13 ILE 122 1HG1 ILE 122 6.806 -4.520 2.743 391 HG21 ILE 122 1HG2 ILE 122 10.729 -4.551 1.106 392 HG22 ILE 122 2HG2 ILE 122 9.347 -4.252 0.051 393 HG23 ILE 122 3HG2 ILE 122 9.620 -5.866 0.715 394 HD11 ILE 122 3HD1 ILE 122 7.363 -4.203 -0.155 395 HD12 ILE 122 1HD1 ILE 122 6.800 -2.971 0.969 396 HD13 ILE 122 2HD1 ILE 122 5.748 -4.345 0.563 397 H SER 123 H SER 123 11.477 -6.438 3.189 398 HA SER 123 HA SER 123 13.644 -6.218 3.741 399 HB2 SER 123 2HB SER 123 14.729 -3.996 3.241 400 HB3 SER 123 1HB SER 123 13.701 -4.598 1.947 401 HG SER 123 HG SER 123 12.162 -3.161 3.467 402 H GLY 124 H GLY 124 11.772 -6.098 5.993 403 HA2 GLY 124 2HA GLY 124 12.169 -6.095 8.245 404 HA3 GLY 124 1HA GLY 124 13.701 -5.278 7.963 405 H ARG 125 H ARG 125 11.016 -3.862 6.449 406 HA ARG 125 HA ARG 125 10.809 -1.851 8.562 407 HB2 ARG 125 2HB ARG 125 12.230 -1.319 6.499 408 HB3 ARG 125 1HB ARG 125 10.745 -1.408 5.576 409 HG2 ARG 125 2HG ARG 125 9.829 0.417 6.892 410 HG3 ARG 125 1HG ARG 125 11.346 0.444 7.814 411 HD2 ARG 125 2HD ARG 125 12.586 0.910 5.728 412 HD3 ARG 125 1HD ARG 125 11.061 0.954 4.848 413 HE ARG 125 HE ARG 125 11.440 2.805 7.065 414 HH11 ARG 125 1HH1 ARG 125 11.151 2.321 3.559 415 HH12 ARG 125 2HH1 ARG 125 11.144 3.974 3.184 416 HH21 ARG 125 1HH2 ARG 125 11.405 5.094 6.547 417 HH22 ARG 125 2HH2 ARG 125 11.300 5.609 4.936 418 H LEU 126 H LEU 126 8.577 -1.290 8.998 419 HA LEU 126 HA LEU 126 6.694 -3.079 7.684 420 HB2 LEU 126 2HB LEU 126 6.954 -2.431 10.314 421 HB3 LEU 126 1HB LEU 126 5.798 -1.222 9.788 422 HG LEU 126 HG LEU 126 4.425 -2.863 10.571 423 HD11 LEU 126 1HD1 LEU 126 4.580 -3.530 7.721 424 HD12 LEU 126 2HD1 LEU 126 3.663 -2.210 8.495 425 HD13 LEU 126 3HD1 LEU 126 3.271 -3.906 8.851 426 HD21 LEU 126 3HD2 LEU 126 6.001 -4.561 11.074 427 HD22 LEU 126 1HD2 LEU 126 6.261 -4.890 9.361 428 HD23 LEU 126 2HD2 LEU 126 4.709 -5.272 10.104 429 H TYR 127 H TYR 127 5.607 -2.303 6.032 430 HA TYR 127 HA TYR 127 5.114 0.540 5.801 431 HB2 TYR 127 2HB TYR 127 5.164 -1.782 3.951 432 HB3 TYR 127 1HB TYR 127 4.488 -0.324 3.332 433 HD1 TYR 127 1HD TYR 127 6.109 1.775 3.510 434 HD2 TYR 127 2HD TYR 127 7.402 -2.268 3.801 435 HE1 TYR 127 1HE TYR 127 8.397 2.469 2.928 436 HE2 TYR 127 2HE TYR 127 9.697 -1.576 3.205 437 HH TYR 127 HH TYR 127 10.803 0.283 2.043 438 H ARG 128 H ARG 128 3.227 1.167 6.582 439 HA ARG 128 HA ARG 128 0.925 -0.628 6.679 440 HB2 ARG 128 2HB ARG 128 1.456 2.105 7.782 441 HB3 ARG 128 1HB ARG 128 -0.179 1.487 7.638 442 HG2 ARG 128 2HG ARG 128 0.256 -0.241 9.124 443 HG3 ARG 128 1HG ARG 128 1.975 0.066 9.173 444 HD2 ARG 128 2HD ARG 128 1.402 2.363 10.063 445 HD3 ARG 128 1HD ARG 128 -0.246 1.845 10.140 446 HE ARG 128 HE ARG 128 0.232 0.379 11.872 447 HH11 ARG 128 1HH1 ARG 128 3.149 1.936 10.727 448 HH12 ARG 128 2HH1 ARG 128 4.055 1.695 12.156 449 HH21 ARG 128 1HH2 ARG 128 1.406 0.021 13.837 450 HH22 ARG 128 2HH2 ARG 128 3.008 0.575 14.016 451 H LEU 129 H LEU 129 -0.930 -0.187 5.663 452 HA LEU 129 HA LEU 129 -0.724 1.794 3.532 453 HB2 LEU 129 2HB LEU 129 -2.471 -0.656 3.660 454 HB3 LEU 129 1HB LEU 129 -2.265 0.428 2.299 455 HG LEU 129 HG LEU 129 -0.213 -1.452 3.422 456 HD11 LEU 129 1HD1 LEU 129 -1.735 -1.450 0.838 457 HD12 LEU 129 2HD1 LEU 129 -1.859 -2.622 2.161 458 HD13 LEU 129 3HD1 LEU 129 -0.374 -2.493 1.219 459 HD21 LEU 129 3HD2 LEU 129 -0.009 0.488 1.140 460 HD22 LEU 129 1HD2 LEU 129 1.159 -0.774 1.549 461 HD23 LEU 129 2HD2 LEU 129 0.879 0.544 2.686 462 H CYS 130 H CYS 130 -1.691 3.470 4.351 463 HA CYS 130 HA CYS 130 -4.220 3.046 5.712 464 HB2 CYS 130 2HB CYS 130 -3.889 5.410 6.472 465 HB3 CYS 130 1HB CYS 130 -2.662 4.302 7.059 466 H CYS 131 H CYS 131 -6.030 3.915 4.805 467 HA CYS 131 HA CYS 131 -5.519 5.231 2.275 468 HB2 CYS 131 2HB CYS 131 -5.849 2.760 1.990 469 HB3 CYS 131 1HB CYS 131 -7.488 2.973 2.597 470 H ARG 132 H ARG 132 -7.219 6.439 1.461 471 HA ARG 132 HA ARG 132 -9.317 7.161 3.341 472 HB2 ARG 132 2HB ARG 132 -8.877 9.574 2.696 473 HB3 ARG 132 1HB ARG 132 -7.616 8.835 3.664 474 HG2 ARG 132 2HG ARG 132 -6.248 8.499 1.683 475 HG3 ARG 132 1HG ARG 132 -7.544 9.141 0.679 476 HD2 ARG 132 2HD ARG 132 -6.016 10.654 2.793 477 HD3 ARG 132 1HD ARG 132 -5.804 10.733 1.034 478 HE ARG 132 HE ARG 132 -8.477 11.277 1.678 479 HH11 ARG 132 1HH1 ARG 132 -5.310 12.801 1.961 480 HH12 ARG 132 2HH1 ARG 132 -5.875 14.385 1.772 481 HH21 ARG 132 1HH2 ARG 132 -9.289 13.473 1.445 482 HH22 ARG 132 2HH2 ARG 132 -8.208 14.776 1.448 Start of MODEL 15 1 H1 ALA 1 1HT ALA 1 -10.948 -1.177 5.975 2 H2 ALA 1 2HT ALA 1 -12.049 -2.194 5.215 3 H3 ALA 1 3HT ALA 1 -12.359 -0.524 5.277 4 HA ALA 1 HA ALA 1 -11.595 -1.200 3.106 5 HB1 ALA 1 2HB ALA 1 -9.678 0.302 2.896 6 HB2 ALA 1 3HB ALA 1 -9.458 0.294 4.633 7 HB3 ALA 1 1HB ALA 1 -10.906 1.027 3.935 8 H THR 2 H THR 2 -10.441 -2.733 1.984 9 HA THR 2 HA THR 2 -8.223 -3.974 3.456 10 HB THR 2 HB THR 2 -9.998 -5.215 1.335 11 HG1 THR 2 1HG THR 2 -9.884 -5.755 4.127 12 HG21 THR 2 3HG2 THR 2 -7.721 -6.148 1.370 13 HG22 THR 2 1HG2 THR 2 -8.887 -7.324 1.981 14 HG23 THR 2 2HG2 THR 2 -7.864 -6.428 3.104 15 H CYS 3 H CYS 3 -6.389 -3.235 2.605 16 HA CYS 3 HA CYS 3 -6.233 -2.924 -0.316 17 HB2 CYS 3 2HB CYS 3 -4.670 -1.318 1.738 18 HB3 CYS 3 1HB CYS 3 -4.688 -1.079 0.008 19 H TYR 4 H TYR 4 -3.834 -3.252 -1.005 20 HA TYR 4 HA TYR 4 -2.148 -4.437 0.880 21 HB2 TYR 4 2HB TYR 4 -1.897 -6.665 -0.241 22 HB3 TYR 4 1HB TYR 4 -3.405 -6.437 0.621 23 HD1 TYR 4 1HD TYR 4 -1.899 -6.458 -2.780 24 HD2 TYR 4 2HD TYR 4 -5.445 -6.799 -0.463 25 HE1 TYR 4 1HE TYR 4 -3.097 -7.231 -4.754 26 HE2 TYR 4 2HE TYR 4 -6.676 -7.578 -2.433 27 HH TYR 4 HH TYR 4 -6.541 -7.508 -4.820 28 H CYS 5 H CYS 5 -0.100 -4.942 0.131 29 HA CYS 5 HA CYS 5 0.695 -3.107 -1.956 30 HB2 CYS 5 2HB CYS 5 2.470 -4.840 -0.202 31 HB3 CYS 5 1HB CYS 5 2.865 -3.365 -1.089 32 H ARG 6 H ARG 6 0.632 -3.886 -3.944 33 HA ARG 6 HA ARG 6 1.288 -6.711 -4.422 34 HB2 ARG 6 2HB ARG 6 0.205 -6.234 -6.695 35 HB3 ARG 6 1HB ARG 6 -0.866 -6.317 -5.295 36 HG2 ARG 6 2HG ARG 6 -1.141 -4.055 -5.229 37 HG3 ARG 6 1HG ARG 6 0.242 -3.727 -6.288 38 HD2 ARG 6 2HD ARG 6 -1.003 -4.664 -8.144 39 HD3 ARG 6 1HD ARG 6 -2.318 -5.104 -7.058 40 HE ARG 6 HE ARG 6 -2.367 -2.609 -6.600 41 HH11 ARG 6 1HH1 ARG 6 -1.409 -3.866 -9.740 42 HH12 ARG 6 2HH1 ARG 6 -2.322 -2.760 -10.658 43 HH21 ARG 6 1HH2 ARG 6 -3.633 -1.001 -7.872 44 HH22 ARG 6 2HH2 ARG 6 -3.612 -1.130 -9.562 45 H THR 7 H THR 7 2.697 -7.254 -6.128 46 HA THR 7 HA THR 7 4.750 -5.279 -6.566 47 HB THR 7 HB THR 7 5.935 -7.299 -7.530 48 HG1 THR 7 1HG THR 7 4.804 -9.053 -7.776 49 HG21 THR 7 3HG2 THR 7 6.227 -6.543 -5.195 50 HG22 THR 7 1HG2 THR 7 6.328 -8.303 -5.324 51 HG23 THR 7 2HG2 THR 7 4.857 -7.543 -4.717 52 H GLY 8 H GLY 8 1.975 -6.160 -8.119 53 HA2 GLY 8 2HA GLY 8 2.798 -4.968 -10.562 54 HA3 GLY 8 1HA GLY 8 2.484 -6.696 -10.696 55 H ARG 9 H ARG 9 0.504 -7.303 -11.004 56 HA ARG 9 HA ARG 9 -1.529 -5.245 -10.845 57 HB2 ARG 9 2HB ARG 9 -2.921 -6.755 -12.222 58 HB3 ARG 9 1HB ARG 9 -1.368 -6.439 -12.982 59 HG2 ARG 9 2HG ARG 9 -0.525 -8.569 -12.258 60 HG3 ARG 9 1HG ARG 9 -2.012 -8.886 -11.362 61 HD2 ARG 9 2HD ARG 9 -3.259 -8.866 -13.481 62 HD3 ARG 9 1HD ARG 9 -1.752 -8.579 -14.354 63 HE ARG 9 HE ARG 9 -1.151 -10.771 -13.010 64 HH11 ARG 9 1HH1 ARG 9 -4.072 -10.057 -14.915 65 HH12 ARG 9 2HH1 ARG 9 -4.304 -11.677 -15.358 66 HH21 ARG 9 1HH2 ARG 9 -1.529 -13.011 -13.662 67 HH22 ARG 9 2HH2 ARG 9 -2.875 -13.351 -14.654 68 H CYS 10 H CYS 10 -3.856 -6.381 -10.249 69 HA CYS 10 HA CYS 10 -3.530 -8.526 -8.403 70 HB2 CYS 10 2HB CYS 10 -4.959 -7.329 -6.690 71 HB3 CYS 10 1HB CYS 10 -3.357 -6.665 -6.785 72 H ALA 11 H ALA 11 -5.445 -9.717 -8.190 73 HA ALA 11 HA ALA 11 -7.113 -9.419 -10.456 74 HB1 ALA 11 1HB ALA 11 -6.501 -11.648 -9.618 75 HB2 ALA 11 2HB ALA 11 -8.247 -11.442 -9.727 76 HB3 ALA 11 3HB ALA 11 -7.447 -11.352 -8.159 77 H THR 12 H THR 12 -7.991 -7.543 -10.263 78 HA THR 12 HA THR 12 -10.539 -7.217 -9.466 79 HB THR 12 HB THR 12 -9.713 -7.247 -7.072 80 HG1 THR 12 1HG THR 12 -10.469 -4.602 -7.271 81 HG21 THR 12 3HG2 THR 12 -7.499 -6.252 -7.376 82 HG22 THR 12 1HG2 THR 12 -8.422 -5.327 -6.192 83 HG23 THR 12 2HG2 THR 12 -8.233 -4.719 -7.837 84 H ARG 13 H ARG 13 -7.351 -5.781 -9.895 85 HA ARG 13 HA ARG 13 -6.528 -4.123 -11.195 86 HB2 ARG 13 2HB ARG 13 -8.910 -4.968 -12.784 87 HB3 ARG 13 1HB ARG 13 -7.811 -3.714 -13.347 88 HG2 ARG 13 2HG ARG 13 -7.000 -6.518 -12.672 89 HG3 ARG 13 1HG ARG 13 -7.412 -5.969 -14.301 90 HD2 ARG 13 2HD ARG 13 -5.632 -4.209 -14.016 91 HD3 ARG 13 1HD ARG 13 -5.130 -5.055 -12.552 92 HE ARG 13 HE ARG 13 -5.112 -6.997 -14.357 93 HH11 ARG 13 1HH1 ARG 13 -3.765 -3.727 -14.393 94 HH12 ARG 13 2HH1 ARG 13 -2.499 -4.058 -15.463 95 HH21 ARG 13 1HH2 ARG 13 -3.353 -7.487 -15.922 96 HH22 ARG 13 2HH2 ARG 13 -2.270 -6.256 -16.361 97 H GLU 14 H GLU 14 -7.259 -2.117 -12.631 98 HA GLU 14 HA GLU 14 -8.103 -0.115 -12.902 99 HB2 GLU 14 2HB GLU 14 -10.393 -1.072 -11.203 100 HB3 GLU 14 1HB GLU 14 -10.379 0.437 -12.103 101 HG2 GLU 14 2HG GLU 14 -10.103 -0.823 -14.179 102 HG3 GLU 14 1HG GLU 14 -10.167 -2.326 -13.265 103 H SER 15 H SER 15 -8.564 -0.963 -9.516 104 HA SER 15 HA SER 15 -8.177 1.770 -8.778 105 HB2 SER 15 2HB SER 15 -8.467 -0.640 -6.991 106 HB3 SER 15 1HB SER 15 -8.601 1.049 -6.512 107 HG SER 15 HG SER 15 -10.297 0.986 -8.350 108 H LEU 16 H LEU 16 -5.971 1.846 -9.743 109 HA LEU 16 HA LEU 16 -4.047 0.922 -7.768 110 HB2 LEU 16 2HB LEU 16 -3.444 0.703 -10.234 111 HB3 LEU 16 1HB LEU 16 -3.511 2.440 -10.371 112 HG LEU 16 HG LEU 16 -1.412 0.906 -8.757 113 HD11 LEU 16 1HD1 LEU 16 -1.240 0.524 -11.124 114 HD12 LEU 16 2HD1 LEU 16 0.071 1.546 -10.520 115 HD13 LEU 16 3HD1 LEU 16 -1.272 2.267 -11.415 116 HD21 LEU 16 3HD2 LEU 16 -0.259 3.063 -8.721 117 HD22 LEU 16 1HD2 LEU 16 -1.811 3.187 -7.885 118 HD23 LEU 16 2HD2 LEU 16 -1.632 3.822 -9.519 119 H SER 17 H SER 17 -3.871 2.082 -6.170 120 HA SER 17 HA SER 17 -4.882 4.837 -6.307 121 HB2 SER 17 2HB SER 17 -5.486 4.384 -3.904 122 HB3 SER 17 1HB SER 17 -6.381 3.488 -5.134 123 HG SER 17 HG SER 17 -5.429 2.363 -3.217 124 H GLY 18 H GLY 18 -2.065 3.131 -5.809 125 HA2 GLY 18 2HA GLY 18 -0.661 5.416 -5.068 126 HA3 GLY 18 1HA GLY 18 -0.899 4.388 -3.654 127 H VAL 19 H VAL 19 1.597 4.917 -4.673 128 HA VAL 19 HA VAL 19 2.401 2.220 -5.279 129 HB VAL 19 HB VAL 19 4.178 3.089 -6.829 130 HG11 VAL 19 1HG1 VAL 19 1.327 3.323 -7.728 131 HG12 VAL 19 2HG1 VAL 19 2.318 1.845 -7.704 132 HG13 VAL 19 3HG1 VAL 19 2.705 3.151 -8.821 133 HG21 VAL 19 3HG2 VAL 19 4.035 5.445 -6.315 134 HG22 VAL 19 1HG2 VAL 19 2.387 5.500 -6.943 135 HG23 VAL 19 2HG2 VAL 19 3.735 5.183 -8.039 136 H CYS 20 H CYS 20 4.355 1.717 -4.610 137 HA CYS 20 HA CYS 20 6.032 3.705 -3.406 138 HB2 CYS 20 2HB CYS 20 6.350 2.126 -1.394 139 HB3 CYS 20 1HB CYS 20 4.921 3.169 -1.355 140 H GLU 21 H GLU 21 7.880 3.418 -4.284 141 HA GLU 21 HA GLU 21 8.529 0.727 -5.131 142 HB2 GLU 21 2HB GLU 21 8.701 2.407 -6.850 143 HB3 GLU 21 1HB GLU 21 9.739 3.388 -5.870 144 HG2 GLU 21 2HG GLU 21 10.608 0.631 -6.639 145 HG3 GLU 21 1HG GLU 21 10.770 1.930 -7.801 146 H ILE 22 H ILE 22 9.814 -0.421 -4.160 147 HA ILE 22 HA ILE 22 11.492 0.710 -2.036 148 HB ILE 22 HB ILE 22 9.748 -1.761 -1.616 149 HG12 ILE 22 2HG1 ILE 22 9.144 1.069 -0.635 150 HG13 ILE 22 1HG1 ILE 22 8.349 0.290 -1.995 151 HG21 ILE 22 1HG2 ILE 22 10.287 -1.406 0.712 152 HG22 ILE 22 2HG2 ILE 22 11.261 0.002 0.290 153 HG23 ILE 22 3HG2 ILE 22 11.750 -1.603 -0.252 154 HD11 ILE 22 3HD1 ILE 22 7.061 0.206 0.039 155 HD12 ILE 22 1HD1 ILE 22 8.381 -0.700 0.794 156 HD13 ILE 22 2HD1 ILE 22 7.515 -1.395 -0.585 157 H SER 23 H SER 23 13.393 -0.155 -2.122 158 HA SER 23 HA SER 23 15.233 -1.252 -2.867 159 HB2 SER 23 2HB SER 23 15.181 -3.747 -2.557 160 HB3 SER 23 1HB SER 23 14.538 -2.857 -1.185 161 HG SER 23 HG SER 23 12.519 -3.317 -2.768 162 H GLY 24 H GLY 24 13.494 -0.323 -5.030 163 HA2 GLY 24 2HA GLY 24 13.973 -0.317 -7.289 164 HA3 GLY 24 1HA GLY 24 14.741 -1.888 -7.140 165 H ARG 25 H ARG 25 11.969 -2.276 -5.552 166 HA ARG 25 HA ARG 25 10.650 -3.346 -7.919 167 HB2 ARG 25 2HB ARG 25 11.292 -4.921 -6.079 168 HB3 ARG 25 1HB ARG 25 10.272 -3.998 -4.999 169 HG2 ARG 25 2HG ARG 25 8.311 -4.574 -6.302 170 HG3 ARG 25 1HG ARG 25 9.366 -5.429 -7.438 171 HD2 ARG 25 2HD ARG 25 9.063 -6.117 -4.520 172 HD3 ARG 25 1HD ARG 25 8.245 -6.951 -5.840 173 HE ARG 25 HE ARG 25 10.687 -7.292 -6.639 174 HH11 ARG 25 1HH1 ARG 25 9.552 -7.447 -3.281 175 HH12 ARG 25 2HH1 ARG 25 10.705 -8.600 -2.810 176 HH21 ARG 25 1HH2 ARG 25 12.267 -8.852 -5.984 177 HH22 ARG 25 2HH2 ARG 25 12.315 -9.410 -4.375 178 H LEU 26 H LEU 26 8.556 -2.662 -8.390 179 HA LEU 26 HA LEU 26 7.741 -0.285 -6.945 180 HB2 LEU 26 2HB LEU 26 7.810 -0.807 -9.603 181 HB3 LEU 26 1HB LEU 26 6.179 -1.323 -9.229 182 HG LEU 26 HG LEU 26 5.813 0.853 -9.865 183 HD11 LEU 26 1HD1 LEU 26 6.148 1.152 -6.972 184 HD12 LEU 26 2HD1 LEU 26 4.733 0.552 -7.865 185 HD13 LEU 26 3HD1 LEU 26 5.297 2.220 -8.091 186 HD21 LEU 26 3HD2 LEU 26 8.385 1.610 -8.516 187 HD22 LEU 26 1HD2 LEU 26 7.265 2.761 -9.266 188 HD23 LEU 26 2HD2 LEU 26 8.061 1.529 -10.240 189 H TYR 27 H TYR 27 6.348 -0.583 -5.330 190 HA TYR 27 HA TYR 27 4.515 -2.810 -5.402 191 HB2 TYR 27 2HB TYR 27 5.577 -1.010 -3.288 192 HB3 TYR 27 1HB TYR 27 4.193 -1.969 -2.885 193 HD1 TYR 27 1HD TYR 27 4.478 -4.533 -3.118 194 HD2 TYR 27 2HD TYR 27 7.768 -1.834 -3.166 195 HE1 TYR 27 1HE TYR 27 5.995 -6.382 -2.565 196 HE2 TYR 27 2HE TYR 27 9.299 -3.692 -2.601 197 HH TYR 27 HH TYR 27 9.185 -5.922 -1.541 198 H ARG 28 H ARG 28 2.655 -2.428 -6.166 199 HA ARG 28 HA ARG 28 1.530 0.283 -6.290 200 HB2 ARG 28 2HB ARG 28 0.753 -2.316 -7.557 201 HB3 ARG 28 1HB ARG 28 -0.297 -0.913 -7.597 202 HG2 ARG 28 2HG ARG 28 1.181 0.286 -8.910 203 HG3 ARG 28 1HG ARG 28 2.515 -0.809 -8.642 204 HD2 ARG 28 2HD ARG 28 1.104 -2.579 -9.807 205 HD3 ARG 28 1HD ARG 28 -0.023 -1.345 -10.179 206 HE ARG 28 HE ARG 28 1.468 -0.331 -11.665 207 HH11 ARG 28 1HH1 ARG 28 2.944 -3.134 -10.118 208 HH12 ARG 28 2HH1 ARG 28 4.125 -3.364 -11.335 209 HH21 ARG 28 1HH2 ARG 28 3.106 -0.648 -13.327 210 HH22 ARG 28 2HH2 ARG 28 4.226 -1.920 -13.178 211 H LEU 29 H LEU 29 -0.551 0.667 -5.533 212 HA LEU 29 HA LEU 29 -1.403 -1.239 -3.492 213 HB2 LEU 29 2HB LEU 29 -1.851 1.741 -3.568 214 HB3 LEU 29 1HB LEU 29 -2.299 0.643 -2.277 215 HG LEU 29 HG LEU 29 0.518 1.337 -3.099 216 HD11 LEU 29 1HD1 LEU 29 0.664 2.333 -0.884 217 HD12 LEU 29 2HD1 LEU 29 -1.056 2.030 -0.638 218 HD13 LEU 29 3HD1 LEU 29 -0.526 3.146 -1.903 219 HD21 LEU 29 3HD2 LEU 29 1.226 0.078 -1.228 220 HD22 LEU 29 1HD2 LEU 29 0.345 -0.964 -2.348 221 HD23 LEU 29 2HD2 LEU 29 -0.442 -0.383 -0.846 222 H CYS 30 H CYS 30 -3.272 -2.161 -3.862 223 HA CYS 30 HA CYS 30 -5.265 -0.595 -5.230 224 HB2 CYS 30 2HB CYS 30 -6.179 -2.780 -6.286 225 HB3 CYS 30 1HB CYS 30 -4.616 -2.254 -6.898 226 H CYS 31 H CYS 31 -7.337 -0.846 -4.394 227 HA CYS 31 HA CYS 31 -7.302 -2.304 -1.872 228 HB2 CYS 31 2HB CYS 31 -6.845 0.270 -1.720 229 HB3 CYS 31 1HB CYS 31 -8.541 0.399 -2.111 230 H ARG 32 H ARG 32 -9.312 -2.927 -1.117 231 HA ARG 32 HA ARG 32 -11.526 -2.806 -3.050 232 HB2 ARG 32 2HB ARG 32 -11.974 -5.178 -2.616 233 HB3 ARG 32 1HB ARG 32 -10.355 -4.969 -3.259 234 HG2 ARG 32 2HG ARG 32 -9.445 -5.107 -0.962 235 HG3 ARG 32 1HG ARG 32 -11.085 -5.396 -0.381 236 HD2 ARG 32 2HD ARG 32 -9.536 -7.154 -2.280 237 HD3 ARG 32 1HD ARG 32 -9.818 -7.454 -0.567 238 HE ARG 32 HE ARG 32 -12.173 -7.114 -2.191 239 HH11 ARG 32 1HH1 ARG 32 -9.931 -9.396 -0.654 240 HH12 ARG 32 2HH1 ARG 32 -10.949 -10.732 -0.800 241 HH21 ARG 32 1HH2 ARG 32 -13.579 -8.962 -2.422 242 HH22 ARG 32 2HH2 ARG 32 -13.080 -10.482 -1.828 243 H1 ALA 101 H ALA 101 -9.874 7.770 -4.604 244 HA ALA 101 HA ALA 101 -9.375 6.089 -3.049 245 HB1 ALA 101 1HB ALA 101 -8.522 3.904 -3.784 246 HB2 ALA 101 2HB ALA 101 -8.628 4.408 -5.456 247 HB3 ALA 101 3HB ALA 101 -10.103 4.217 -4.502 248 H THR 102 H THR 102 -7.687 7.138 -2.175 249 HA THR 102 HA THR 102 -5.158 6.967 -3.656 250 HB THR 102 HB THR 102 -5.996 9.080 -1.647 251 HG1 THR 102 1HG THR 102 -6.164 8.909 -4.408 252 HG21 THR 102 3HG2 THR 102 -3.526 8.873 -3.383 253 HG22 THR 102 1HG2 THR 102 -3.581 8.633 -1.636 254 HG23 THR 102 2HG2 THR 102 -3.925 10.221 -2.316 255 H CYS 103 H CYS 103 -3.958 5.441 -2.715 256 HA CYS 103 HA CYS 103 -4.173 5.076 0.204 257 HB2 CYS 103 2HB CYS 103 -3.345 3.012 -1.861 258 HB3 CYS 103 1HB CYS 103 -3.505 2.744 -0.141 259 H TYR 104 H TYR 104 -2.050 4.563 1.239 260 HA TYR 104 HA TYR 104 0.207 4.930 -0.426 261 HB2 TYR 104 2HB TYR 104 1.164 6.836 0.955 262 HB3 TYR 104 1HB TYR 104 -0.129 7.247 -0.148 263 HD1 TYR 104 1HD TYR 104 0.853 6.967 3.374 264 HD2 TYR 104 2HD TYR 104 -2.292 7.993 0.701 265 HE1 TYR 104 1HE TYR 104 -0.321 8.116 5.199 266 HE2 TYR 104 2HE TYR 104 -3.484 9.139 2.523 267 HH TYR 104 HH TYR 104 -3.582 9.159 4.956 268 H CYS 105 H CYS 105 2.033 4.139 0.262 269 HA CYS 105 HA CYS 105 1.887 2.229 2.400 270 HB2 CYS 105 2HB CYS 105 4.297 2.976 0.694 271 HB3 CYS 105 1HB CYS 105 4.006 1.499 1.608 272 H ARG 106 H ARG 106 2.060 3.065 4.418 273 HA ARG 106 HA ARG 106 4.206 4.961 4.786 274 HB2 ARG 106 2HB ARG 106 2.884 5.796 6.848 275 HB3 ARG 106 1HB ARG 106 2.452 6.373 5.262 276 HG2 ARG 106 2HG ARG 106 0.433 5.933 6.298 277 HG3 ARG 106 1HG ARG 106 0.717 4.531 5.276 278 HD2 ARG 106 2HD ARG 106 1.589 3.337 7.246 279 HD3 ARG 106 1HD ARG 106 1.126 4.709 8.258 280 HE ARG 106 HE ARG 106 -0.880 3.463 6.569 281 HH11 ARG 106 1HH1 ARG 106 0.290 3.973 9.868 282 HH12 ARG 106 2HH1 ARG 106 -1.155 3.501 10.625 283 HH21 ARG 106 1HH2 ARG 106 -2.860 2.691 7.642 284 HH22 ARG 106 2HH2 ARG 106 -2.973 2.770 9.337 285 H THR 107 H THR 107 5.453 4.996 6.514 286 HA THR 107 HA THR 107 6.170 2.314 7.209 287 HB THR 107 HB THR 107 8.219 3.365 8.083 288 HG1 THR 107 1HG THR 107 7.823 5.365 8.749 289 HG21 THR 107 3HG2 THR 107 8.060 2.792 5.711 290 HG22 THR 107 1HG2 THR 107 9.012 4.262 5.930 291 HG23 THR 107 2HG2 THR 107 7.340 4.365 5.375 292 H GLY 108 H GLY 108 4.112 4.439 8.642 293 HA2 GLY 108 2HA GLY 108 4.320 3.092 11.148 294 HA3 GLY 108 1HA GLY 108 4.793 4.788 11.214 295 H ARG 109 H ARG 109 3.308 6.242 11.318 296 HA ARG 109 HA ARG 109 0.544 5.329 11.407 297 HB2 ARG 109 2HB ARG 109 0.088 7.456 12.551 298 HB3 ARG 109 1HB ARG 109 1.427 6.623 13.334 299 HG2 ARG 109 2HG ARG 109 3.027 8.041 12.184 300 HG3 ARG 109 1HG ARG 109 1.727 8.810 11.298 301 HD2 ARG 109 2HD ARG 109 0.843 9.712 13.402 302 HD3 ARG 109 1HD ARG 109 2.172 8.947 14.281 303 HE ARG 109 HE ARG 109 3.440 10.366 12.389 304 HH11 ARG 109 1HH1 ARG 109 1.030 11.382 14.842 305 HH12 ARG 109 2HH1 ARG 109 1.636 12.957 14.908 306 HH21 ARG 109 1HH2 ARG 109 4.196 12.514 12.536 307 HH22 ARG 109 2HH2 ARG 109 3.435 13.631 13.606 308 H CYS 110 H CYS 110 -1.032 7.271 10.630 309 HA CYS 110 HA CYS 110 0.213 8.953 8.723 310 HB2 CYS 110 2HB CYS 110 -1.693 8.616 7.046 311 HB3 CYS 110 1HB CYS 110 -0.526 7.326 7.109 312 H ALA 111 H ALA 111 -0.953 10.865 8.282 313 HA ALA 111 HA ALA 111 -2.041 11.703 10.759 314 HB1 ALA 111 1HB ALA 111 -1.775 13.288 8.218 315 HB2 ALA 111 2HB ALA 111 -0.533 13.137 9.458 316 HB3 ALA 111 3HB ALA 111 -2.057 13.942 9.830 317 H THR 112 H THR 112 -3.819 10.648 11.047 318 HA THR 112 HA THR 112 -6.250 11.699 10.625 319 HB THR 112 HB THR 112 -6.013 11.133 8.179 320 HG1 THR 112 1HG THR 112 -8.046 11.132 9.186 321 HG21 THR 112 3HG2 THR 112 -6.108 8.772 7.430 322 HG22 THR 112 1HG2 THR 112 -5.972 8.245 9.108 323 HG23 THR 112 2HG2 THR 112 -4.635 9.101 8.344 324 H ARG 113 H ARG 113 -4.285 8.837 10.837 325 HA ARG 113 HA ARG 113 -4.149 7.086 12.206 326 HB2 ARG 113 2HB ARG 113 -5.846 8.792 13.987 327 HB3 ARG 113 1HB ARG 113 -5.198 7.198 14.415 328 HG2 ARG 113 2HG ARG 113 -3.497 9.512 13.591 329 HG3 ARG 113 1HG ARG 113 -3.893 9.140 15.275 330 HD2 ARG 113 2HD ARG 113 -2.966 6.861 14.888 331 HD3 ARG 113 1HD ARG 113 -2.383 7.397 13.315 332 HE ARG 113 HE ARG 113 -1.364 9.229 14.927 333 HH11 ARG 113 1HH1 ARG 113 -1.412 5.692 15.144 334 HH12 ARG 113 2HH1 ARG 113 0.035 5.603 16.024 335 HH21 ARG 113 1HH2 ARG 113 0.652 9.067 16.167 336 HH22 ARG 113 2HH2 ARG 113 1.221 7.532 16.611 337 H GLU 114 H GLU 114 -5.041 5.190 12.915 338 HA GLU 114 HA GLU 114 -6.209 3.411 12.469 339 HB2 GLU 114 2HB GLU 114 -8.321 5.109 13.758 340 HB3 GLU 114 1HB GLU 114 -8.504 3.380 13.474 341 HG2 GLU 114 2HG GLU 114 -6.536 2.930 14.819 342 HG3 GLU 114 1HG GLU 114 -6.320 4.657 15.094 343 H SER 115 H SER 115 -5.865 3.574 10.351 344 HA SER 115 HA SER 115 -8.280 3.243 8.801 345 HB2 SER 115 2HB SER 115 -6.155 5.284 8.041 346 HB3 SER 115 1HB SER 115 -7.511 4.800 7.023 347 HG SER 115 HG SER 115 -8.279 5.557 9.509 348 H LEU 116 H LEU 116 -6.154 1.590 9.849 349 HA LEU 116 HA LEU 116 -4.298 1.123 7.692 350 HB2 LEU 116 2HB LEU 116 -3.674 0.929 10.157 351 HB3 LEU 116 1HB LEU 116 -4.738 -0.438 10.268 352 HG LEU 116 HG LEU 116 -2.113 -0.367 8.714 353 HD11 LEU 116 1HD1 LEU 116 -2.874 -1.648 11.313 354 HD12 LEU 116 2HD1 LEU 116 -1.825 -0.245 11.100 355 HD13 LEU 116 3HD1 LEU 116 -1.337 -1.817 10.467 356 HD21 LEU 116 3HD2 LEU 116 -2.461 -2.813 8.562 357 HD22 LEU 116 1HD2 LEU 116 -3.760 -1.945 7.736 358 HD23 LEU 116 2HD2 LEU 116 -4.024 -2.624 9.337 359 H SER 117 H SER 117 -4.703 -0.007 6.081 360 HA SER 117 HA SER 117 -7.027 -1.782 6.111 361 HB2 SER 117 2HB SER 117 -7.126 -1.167 3.693 362 HB3 SER 117 1HB SER 117 -7.417 0.152 4.834 363 HG SER 117 HG SER 117 -5.931 0.479 3.002 364 H GLY 118 H GLY 118 -3.664 -1.773 5.839 365 HA2 GLY 118 2HA GLY 118 -3.519 -4.503 5.253 366 HA3 GLY 118 1HA GLY 118 -3.127 -3.574 3.808 367 H VAL 119 H VAL 119 -1.261 -5.211 5.028 368 HA VAL 119 HA VAL 119 0.722 -3.206 5.684 369 HB VAL 119 HB VAL 119 1.766 -4.801 7.390 370 HG11 VAL 119 1HG1 VAL 119 0.832 -2.717 8.093 371 HG12 VAL 119 2HG1 VAL 119 0.360 -3.957 9.260 372 HG13 VAL 119 3HG1 VAL 119 -0.792 -3.387 8.038 373 HG21 VAL 119 3HG2 VAL 119 0.210 -6.257 8.615 374 HG22 VAL 119 1HG2 VAL 119 0.421 -6.758 6.934 375 HG23 VAL 119 2HG2 VAL 119 -1.037 -5.890 7.424 376 H CYS 120 H CYS 120 2.705 -3.633 5.075 377 HA CYS 120 HA CYS 120 3.385 -6.255 4.086 378 HB2 CYS 120 2HB CYS 120 4.466 -5.109 2.060 379 HB3 CYS 120 1HB CYS 120 2.709 -5.323 1.968 380 H GLU 121 H GLU 121 5.202 -6.753 5.065 381 HA GLU 121 HA GLU 121 6.836 -4.522 5.962 382 HB2 GLU 121 2HB GLU 121 6.160 -6.178 7.651 383 HB3 GLU 121 1HB GLU 121 6.968 -7.433 6.738 384 HG2 GLU 121 2HG GLU 121 9.095 -6.234 7.011 385 HG3 GLU 121 1HG GLU 121 8.279 -5.039 7.991 386 H ILE 122 H ILE 122 8.303 -3.936 4.660 387 HA ILE 122 HA ILE 122 9.574 -5.944 2.942 388 HB ILE 122 HB ILE 122 9.011 -3.057 2.105 389 HG12 ILE 122 2HG1 ILE 122 7.425 -5.567 1.410 390 HG13 ILE 122 1HG1 ILE 122 6.907 -4.321 2.535 391 HG21 ILE 122 1HG2 ILE 122 9.516 -3.879 -0.101 392 HG22 ILE 122 2HG2 ILE 122 9.794 -5.493 0.550 393 HG23 ILE 122 3HG2 ILE 122 10.875 -4.171 0.992 394 HD11 ILE 122 3HD1 ILE 122 5.877 -4.102 0.362 395 HD12 ILE 122 1HD1 ILE 122 7.480 -3.912 -0.355 396 HD13 ILE 122 2HD1 ILE 122 6.881 -2.706 0.791 397 H SER 123 H SER 123 11.647 -5.973 3.067 398 HA SER 123 HA SER 123 13.767 -5.703 3.755 399 HB2 SER 123 2HB SER 123 14.809 -3.468 3.365 400 HB3 SER 123 1HB SER 123 13.847 -4.032 2.007 401 HG SER 123 HG SER 123 12.211 -2.641 3.511 402 H GLY 124 H GLY 124 11.844 -5.719 5.852 403 HA2 GLY 124 2HA GLY 124 12.175 -5.795 8.160 404 HA3 GLY 124 1HA GLY 124 13.601 -4.789 7.963 405 H ARG 125 H ARG 125 11.244 -3.297 6.258 406 HA ARG 125 HA ARG 125 10.583 -1.525 8.484 407 HB2 ARG 125 2HB ARG 125 11.879 -0.639 6.519 408 HB3 ARG 125 1HB ARG 125 10.535 -1.089 5.499 409 HG2 ARG 125 2HG ARG 125 9.094 0.472 6.643 410 HG3 ARG 125 1HG ARG 125 10.424 0.867 7.741 411 HD2 ARG 125 2HD ARG 125 10.457 1.279 4.751 412 HD3 ARG 125 1HD ARG 125 10.163 2.538 5.944 413 HE ARG 125 HE ARG 125 12.526 1.578 6.725 414 HH11 ARG 125 1HH1 ARG 125 11.380 2.513 3.475 415 HH12 ARG 125 2HH1 ARG 125 12.894 3.128 2.999 416 HH21 ARG 125 1HH2 ARG 125 14.619 2.439 5.988 417 HH22 ARG 125 2HH2 ARG 125 14.733 3.108 4.430 418 H LEU 126 H LEU 126 8.323 -1.215 8.912 419 HA LEU 126 HA LEU 126 6.649 -3.135 7.519 420 HB2 LEU 126 2HB LEU 126 6.797 -2.576 10.160 421 HB3 LEU 126 1HB LEU 126 5.593 -1.399 9.682 422 HG LEU 126 HG LEU 126 4.241 -3.090 10.319 423 HD11 LEU 126 1HD1 LEU 126 3.261 -4.237 8.530 424 HD12 LEU 126 2HD1 LEU 126 4.642 -3.848 7.510 425 HD13 LEU 126 3HD1 LEU 126 3.601 -2.538 8.137 426 HD21 LEU 126 3HD2 LEU 126 4.674 -5.503 9.964 427 HD22 LEU 126 1HD2 LEU 126 5.903 -4.695 10.942 428 HD23 LEU 126 2HD2 LEU 126 6.233 -5.057 9.261 429 H TYR 127 H TYR 127 5.528 -2.403 5.851 430 HA TYR 127 HA TYR 127 4.866 0.400 5.714 431 HB2 TYR 127 2HB TYR 127 5.078 -1.811 3.742 432 HB3 TYR 127 1HB TYR 127 4.245 -0.383 3.230 433 HD1 TYR 127 1HD TYR 127 5.596 1.829 3.398 434 HD2 TYR 127 2HD TYR 127 7.398 -2.019 3.637 435 HE1 TYR 127 1HE TYR 127 7.767 2.819 2.818 436 HE2 TYR 127 2HE TYR 127 9.586 -1.029 3.047 437 HH TYR 127 HH TYR 127 10.428 1.009 1.870 438 H ARG 128 H ARG 128 3.084 0.832 6.664 439 HA ARG 128 HA ARG 128 0.803 -0.991 6.659 440 HB2 ARG 128 2HB ARG 128 1.394 1.594 8.013 441 HB3 ARG 128 1HB ARG 128 -0.237 0.950 7.954 442 HG2 ARG 128 2HG ARG 128 0.408 -0.911 9.213 443 HG3 ARG 128 1HG ARG 128 2.112 -0.494 9.127 444 HD2 ARG 128 2HD ARG 128 1.531 1.670 10.303 445 HD3 ARG 128 1HD ARG 128 -0.070 1.136 10.399 446 HE ARG 128 HE ARG 128 0.444 -0.496 11.966 447 HH11 ARG 128 1HH1 ARG 128 3.366 1.221 10.976 448 HH12 ARG 128 2HH1 ARG 128 4.263 0.758 12.354 449 HH21 ARG 128 1HH2 ARG 128 1.632 -1.114 13.821 450 HH22 ARG 128 2HH2 ARG 128 3.246 -0.627 14.035 451 H LEU 129 H LEU 129 -1.038 -0.509 5.636 452 HA LEU 129 HA LEU 129 -0.873 1.704 3.751 453 HB2 LEU 129 2HB LEU 129 -2.672 -0.705 3.705 454 HB3 LEU 129 1HB LEU 129 -2.463 0.485 2.435 455 HG LEU 129 HG LEU 129 -0.407 -1.507 3.367 456 HD11 LEU 129 1HD1 LEU 129 -2.131 -2.528 2.059 457 HD12 LEU 129 2HD1 LEU 129 -0.631 -2.409 1.118 458 HD13 LEU 129 3HD1 LEU 129 -1.953 -1.291 0.812 459 HD21 LEU 129 3HD2 LEU 129 -0.245 0.537 1.184 460 HD22 LEU 129 1HD2 LEU 129 0.933 -0.731 1.533 461 HD23 LEU 129 2HD2 LEU 129 0.667 0.546 2.723 462 H CYS 130 H CYS 130 -2.206 3.342 4.008 463 HA CYS 130 HA CYS 130 -4.768 2.792 5.148 464 HB2 CYS 130 2HB CYS 130 -4.723 5.220 6.160 465 HB3 CYS 130 1HB CYS 130 -3.812 3.980 7.016 466 H CYS 131 H CYS 131 -6.431 3.967 4.148 467 HA CYS 131 HA CYS 131 -5.457 5.245 1.699 468 HB2 CYS 131 2HB CYS 131 -6.058 2.774 1.466 469 HB3 CYS 131 1HB CYS 131 -7.716 3.280 1.739 470 H ARG 132 H ARG 132 -6.988 6.532 0.625 471 HA ARG 132 HA ARG 132 -9.286 7.352 2.167 472 HB2 ARG 132 2HB ARG 132 -8.778 9.736 1.555 473 HB3 ARG 132 1HB ARG 132 -7.610 9.037 2.658 474 HG2 ARG 132 2HG ARG 132 -6.068 8.688 0.758 475 HG3 ARG 132 1HG ARG 132 -7.295 9.421 -0.287 476 HD2 ARG 132 2HD ARG 132 -5.946 10.801 2.028 477 HD3 ARG 132 1HD ARG 132 -5.524 10.997 0.327 478 HE ARG 132 HE ARG 132 -8.248 11.484 0.625 479 HH11 ARG 132 1HH1 ARG 132 -5.203 13.001 1.581 480 HH12 ARG 132 2HH1 ARG 132 -5.827 14.583 1.510 481 HH21 ARG 132 1HH2 ARG 132 -9.087 13.592 0.584 482 HH22 ARG 132 2HH2 ARG 132 -8.086 14.944 0.921 Start of MODEL 16 1 H1 ALA 1 1HT ALA 1 -10.503 -1.126 5.875 2 H2 ALA 1 2HT ALA 1 -11.711 -2.204 5.448 3 H3 ALA 1 3HT ALA 1 -12.012 -0.536 5.375 4 HA ALA 1 HA ALA 1 -11.614 -1.452 3.168 5 HB1 ALA 1 2HB ALA 1 -9.337 0.247 4.226 6 HB2 ALA 1 3HB ALA 1 -10.864 0.847 3.592 7 HB3 ALA 1 1HB ALA 1 -9.727 0.026 2.525 8 H THR 2 H THR 2 -10.308 -2.802 1.833 9 HA THR 2 HA THR 2 -8.087 -4.064 3.277 10 HB THR 2 HB THR 2 -9.897 -5.342 1.204 11 HG1 THR 2 1HG THR 2 -10.671 -5.048 3.444 12 HG21 THR 2 3HG2 THR 2 -7.577 -6.152 1.055 13 HG22 THR 2 1HG2 THR 2 -8.641 -7.407 1.694 14 HG23 THR 2 2HG2 THR 2 -7.585 -6.505 2.781 15 H CYS 3 H CYS 3 -6.288 -3.330 2.470 16 HA CYS 3 HA CYS 3 -6.089 -2.896 -0.425 17 HB2 CYS 3 2HB CYS 3 -4.634 -1.326 1.731 18 HB3 CYS 3 1HB CYS 3 -4.579 -1.038 0.009 19 H TYR 4 H TYR 4 -3.817 -3.318 -1.142 20 HA TYR 4 HA TYR 4 -2.113 -4.583 0.734 21 HB2 TYR 4 2HB TYR 4 -1.965 -6.737 -0.592 22 HB3 TYR 4 1HB TYR 4 -3.431 -6.528 0.353 23 HD1 TYR 4 1HD TYR 4 -2.029 -6.475 -3.067 24 HD2 TYR 4 2HD TYR 4 -5.560 -6.457 -0.698 25 HE1 TYR 4 1HE TYR 4 -3.358 -6.921 -5.061 26 HE2 TYR 4 2HE TYR 4 -6.914 -6.911 -2.692 27 HH TYR 4 HH TYR 4 -6.750 -6.608 -5.069 28 H CYS 5 H CYS 5 -0.055 -4.887 0.001 29 HA CYS 5 HA CYS 5 0.617 -3.050 -2.097 30 HB2 CYS 5 2HB CYS 5 2.504 -4.678 -0.347 31 HB3 CYS 5 1HB CYS 5 2.820 -3.213 -1.276 32 H ARG 6 H ARG 6 0.375 -3.959 -4.083 33 HA ARG 6 HA ARG 6 1.177 -6.734 -4.504 34 HB2 ARG 6 2HB ARG 6 0.268 -6.384 -6.848 35 HB3 ARG 6 1HB ARG 6 -0.912 -6.307 -5.546 36 HG2 ARG 6 2HG ARG 6 -1.104 -4.012 -5.703 37 HG3 ARG 6 1HG ARG 6 0.379 -3.862 -6.659 38 HD2 ARG 6 2HD ARG 6 -0.703 -4.853 -8.545 39 HD3 ARG 6 1HD ARG 6 -2.115 -5.270 -7.582 40 HE ARG 6 HE ARG 6 -2.395 -2.813 -7.311 41 HH11 ARG 6 1HH1 ARG 6 -0.666 -3.954 -10.173 42 HH12 ARG 6 2HH1 ARG 6 -1.364 -2.884 -11.262 43 HH21 ARG 6 1HH2 ARG 6 -3.379 -1.244 -8.835 44 HH22 ARG 6 2HH2 ARG 6 -2.922 -1.294 -10.479 45 H THR 7 H THR 7 2.708 -7.394 -5.956 46 HA THR 7 HA THR 7 4.806 -5.452 -6.406 47 HB THR 7 HB THR 7 6.138 -7.565 -6.795 48 HG1 THR 7 1HG THR 7 5.140 -9.500 -6.496 49 HG21 THR 7 3HG2 THR 7 6.039 -6.442 -4.592 50 HG22 THR 7 1HG2 THR 7 6.172 -8.196 -4.421 51 HG23 THR 7 2HG2 THR 7 4.619 -7.392 -4.187 52 H GLY 8 H GLY 8 2.224 -6.061 -8.049 53 HA2 GLY 8 2HA GLY 8 3.315 -5.657 -10.605 54 HA3 GLY 8 1HA GLY 8 2.744 -7.317 -10.399 55 H ARG 9 H ARG 9 0.687 -7.695 -10.760 56 HA ARG 9 HA ARG 9 -1.077 -5.369 -10.840 57 HB2 ARG 9 2HB ARG 9 -2.471 -6.573 -12.431 58 HB3 ARG 9 1HB ARG 9 -0.816 -6.500 -13.020 59 HG2 ARG 9 2HG ARG 9 -0.421 -8.750 -12.428 60 HG3 ARG 9 1HG ARG 9 -1.958 -8.850 -11.562 61 HD2 ARG 9 2HD ARG 9 -3.111 -8.435 -13.720 62 HD3 ARG 9 1HD ARG 9 -1.550 -8.540 -14.531 63 HE ARG 9 HE ARG 9 -1.383 -10.789 -13.542 64 HH11 ARG 9 1HH1 ARG 9 -4.571 -9.356 -14.172 65 HH12 ARG 9 2HH1 ARG 9 -5.370 -10.845 -14.304 66 HH21 ARG 9 1HH2 ARG 9 -2.499 -12.824 -13.711 67 HH22 ARG 9 2HH2 ARG 9 -4.175 -12.877 -14.013 68 H CYS 10 H CYS 10 -3.529 -6.261 -10.571 69 HA CYS 10 HA CYS 10 -3.681 -8.478 -8.784 70 HB2 CYS 10 2HB CYS 10 -5.205 -7.123 -7.240 71 HB3 CYS 10 1HB CYS 10 -3.519 -6.702 -7.100 72 H ALA 11 H ALA 11 -6.065 -9.029 -8.434 73 HA ALA 11 HA ALA 11 -7.330 -9.170 -11.010 74 HB1 ALA 11 1HB ALA 11 -7.355 -11.041 -9.421 75 HB2 ALA 11 2HB ALA 11 -8.993 -10.545 -9.847 76 HB3 ALA 11 3HB ALA 11 -8.306 -10.074 -8.296 77 H THR 12 H THR 12 -7.076 -6.599 -9.863 78 HA THR 12 HA THR 12 -9.651 -5.511 -10.363 79 HB THR 12 HB THR 12 -9.951 -5.939 -7.974 80 HG1 THR 12 1HG THR 12 -9.260 -3.273 -8.492 81 HG21 THR 12 3HG2 THR 12 -7.307 -4.527 -7.557 82 HG22 THR 12 1HG2 THR 12 -7.625 -6.237 -7.311 83 HG23 THR 12 2HG2 THR 12 -8.388 -5.041 -6.258 84 H ARG 13 H ARG 13 -7.308 -5.541 -11.742 85 HA ARG 13 HA ARG 13 -5.445 -3.512 -11.227 86 HB2 ARG 13 2HB ARG 13 -5.120 -5.381 -12.811 87 HB3 ARG 13 1HB ARG 13 -6.243 -4.607 -13.926 88 HG2 ARG 13 2HG ARG 13 -4.759 -2.730 -14.190 89 HG3 ARG 13 1HG ARG 13 -3.699 -3.356 -12.928 90 HD2 ARG 13 2HD ARG 13 -2.721 -3.842 -15.039 91 HD3 ARG 13 1HD ARG 13 -3.318 -5.317 -14.267 92 HE ARG 13 HE ARG 13 -5.194 -4.162 -16.103 93 HH11 ARG 13 1HH1 ARG 13 -2.378 -6.304 -15.901 94 HH12 ARG 13 2HH1 ARG 13 -2.743 -7.153 -17.322 95 HH21 ARG 13 1HH2 ARG 13 -5.693 -5.362 -18.088 96 HH22 ARG 13 2HH2 ARG 13 -4.645 -6.620 -18.571 97 H GLU 14 H GLU 14 -5.160 -1.461 -12.173 98 HA GLU 14 HA GLU 14 -5.653 0.551 -12.775 99 HB2 GLU 14 2HB GLU 14 -8.175 -0.565 -14.000 100 HB3 GLU 14 1HB GLU 14 -7.659 1.113 -14.167 101 HG2 GLU 14 2HG GLU 14 -6.183 -1.328 -15.124 102 HG3 GLU 14 1HG GLU 14 -6.995 -0.122 -16.125 103 H SER 15 H SER 15 -7.119 -1.041 -10.499 104 HA SER 15 HA SER 15 -8.417 1.326 -9.399 105 HB2 SER 15 2HB SER 15 -9.567 -0.927 -9.312 106 HB3 SER 15 1HB SER 15 -8.251 -1.506 -8.296 107 HG SER 15 HG SER 15 -9.624 0.811 -7.601 108 H LEU 16 H LEU 16 -5.730 1.351 -9.942 109 HA LEU 16 HA LEU 16 -4.166 0.676 -7.621 110 HB2 LEU 16 2HB LEU 16 -3.318 0.570 -10.031 111 HB3 LEU 16 1HB LEU 16 -3.446 2.300 -10.088 112 HG LEU 16 HG LEU 16 -1.387 0.776 -8.392 113 HD11 LEU 16 1HD1 LEU 16 0.145 1.624 -9.971 114 HD12 LEU 16 2HD1 LEU 16 -1.181 2.290 -10.931 115 HD13 LEU 16 3HD1 LEU 16 -1.041 0.545 -10.701 116 HD21 LEU 16 3HD2 LEU 16 -0.506 2.865 -7.897 117 HD22 LEU 16 1HD2 LEU 16 -2.202 3.022 -7.522 118 HD23 LEU 16 2HD2 LEU 16 -1.569 3.723 -9.021 119 H SER 17 H SER 17 -4.045 1.877 -5.982 120 HA SER 17 HA SER 17 -5.235 4.535 -6.091 121 HB2 SER 17 2HB SER 17 -5.600 4.081 -3.645 122 HB3 SER 17 1HB SER 17 -6.490 3.057 -4.778 123 HG SER 17 HG SER 17 -5.389 2.032 -2.972 124 H GLY 18 H GLY 18 -2.249 2.976 -5.651 125 HA2 GLY 18 2HA GLY 18 -0.886 5.391 -5.211 126 HA3 GLY 18 1HA GLY 18 -1.008 4.486 -3.703 127 H VAL 19 H VAL 19 1.431 5.021 -4.860 128 HA VAL 19 HA VAL 19 2.324 2.317 -5.374 129 HB VAL 19 HB VAL 19 4.064 3.179 -7.016 130 HG11 VAL 19 1HG1 VAL 19 2.647 2.991 -8.955 131 HG12 VAL 19 2HG1 VAL 19 1.240 3.332 -7.965 132 HG13 VAL 19 3HG1 VAL 19 2.163 1.825 -7.716 133 HG21 VAL 19 3HG2 VAL 19 3.819 5.545 -6.610 134 HG22 VAL 19 1HG2 VAL 19 2.157 5.485 -7.207 135 HG23 VAL 19 2HG2 VAL 19 3.501 5.174 -8.313 136 H CYS 20 H CYS 20 4.291 1.860 -4.703 137 HA CYS 20 HA CYS 20 6.016 3.933 -3.707 138 HB2 CYS 20 2HB CYS 20 6.367 2.532 -1.577 139 HB3 CYS 20 1HB CYS 20 4.875 3.486 -1.624 140 H GLU 21 H GLU 21 7.976 3.521 -4.521 141 HA GLU 21 HA GLU 21 8.481 0.766 -5.346 142 HB2 GLU 21 2HB GLU 21 8.826 2.582 -7.027 143 HB3 GLU 21 1HB GLU 21 10.058 3.273 -5.990 144 HG2 GLU 21 2HG GLU 21 11.330 1.154 -6.149 145 HG3 GLU 21 1HG GLU 21 10.135 0.550 -7.279 146 H ILE 22 H ILE 22 9.364 -0.371 -3.889 147 HA ILE 22 HA ILE 22 11.289 0.886 -2.070 148 HB ILE 22 HB ILE 22 9.332 -1.327 -1.275 149 HG12 ILE 22 2HG1 ILE 22 9.145 1.660 -0.712 150 HG13 ILE 22 1HG1 ILE 22 8.152 0.779 -1.868 151 HG21 ILE 22 1HG2 ILE 22 11.408 -1.233 -0.016 152 HG22 ILE 22 2HG2 ILE 22 10.018 -0.763 0.967 153 HG23 ILE 22 3HG2 ILE 22 11.110 0.471 0.334 154 HD11 ILE 22 3HD1 ILE 22 6.993 1.188 0.216 155 HD12 ILE 22 1HD1 ILE 22 8.244 0.283 1.073 156 HD13 ILE 22 2HD1 ILE 22 7.220 -0.538 -0.106 157 H SER 23 H SER 23 13.138 -0.215 -1.853 158 HA SER 23 HA SER 23 14.864 -1.538 -2.438 159 HB2 SER 23 2HB SER 23 14.509 -4.027 -2.103 160 HB3 SER 23 1HB SER 23 13.929 -3.042 -0.771 161 HG SER 23 HG SER 23 11.934 -3.323 -2.472 162 H GLY 24 H GLY 24 13.421 -0.463 -4.617 163 HA2 GLY 24 2HA GLY 24 13.822 -0.502 -6.911 164 HA3 GLY 24 1HA GLY 24 14.481 -2.119 -6.743 165 H ARG 25 H ARG 25 11.842 -2.655 -5.228 166 HA ARG 25 HA ARG 25 10.459 -3.680 -7.554 167 HB2 ARG 25 2HB ARG 25 11.014 -5.079 -5.582 168 HB3 ARG 25 1HB ARG 25 10.028 -4.030 -4.588 169 HG2 ARG 25 2HG ARG 25 8.055 -4.703 -5.829 170 HG3 ARG 25 1HG ARG 25 9.057 -5.744 -6.847 171 HD2 ARG 25 2HD ARG 25 8.705 -5.980 -3.857 172 HD3 ARG 25 1HD ARG 25 8.004 -7.042 -5.072 173 HE ARG 25 HE ARG 25 10.559 -7.273 -5.645 174 HH11 ARG 25 1HH1 ARG 25 8.982 -7.356 -2.448 175 HH12 ARG 25 2HH1 ARG 25 10.113 -8.459 -1.798 176 HH21 ARG 25 1HH2 ARG 25 12.100 -8.802 -4.663 177 HH22 ARG 25 2HH2 ARG 25 11.870 -9.260 -3.034 178 H LEU 26 H LEU 26 8.366 -2.922 -8.167 179 HA LEU 26 HA LEU 26 7.648 -0.429 -6.871 180 HB2 LEU 26 2HB LEU 26 7.692 -1.088 -9.512 181 HB3 LEU 26 1HB LEU 26 6.035 -1.476 -9.101 182 HG LEU 26 HG LEU 26 5.782 0.660 -9.827 183 HD11 LEU 26 1HD1 LEU 26 5.406 2.185 -8.084 184 HD12 LEU 26 2HD1 LEU 26 6.358 1.206 -6.985 185 HD13 LEU 26 3HD1 LEU 26 4.826 0.569 -7.633 186 HD21 LEU 26 3HD2 LEU 26 8.409 1.378 -8.586 187 HD22 LEU 26 1HD2 LEU 26 7.349 2.503 -9.440 188 HD23 LEU 26 2HD2 LEU 26 8.065 1.140 -10.296 189 H TYR 27 H TYR 27 6.239 -0.547 -5.318 190 HA TYR 27 HA TYR 27 4.367 -2.730 -5.171 191 HB2 TYR 27 2HB TYR 27 5.437 -0.697 -3.296 192 HB3 TYR 27 1HB TYR 27 4.057 -1.593 -2.769 193 HD1 TYR 27 1HD TYR 27 4.340 -4.165 -2.722 194 HD2 TYR 27 2HD TYR 27 7.603 -1.469 -3.095 195 HE1 TYR 27 1HE TYR 27 5.866 -5.918 -1.971 196 HE2 TYR 27 2HE TYR 27 9.146 -3.239 -2.329 197 HH TYR 27 HH TYR 27 9.056 -5.291 -1.053 198 H ARG 28 H ARG 28 2.529 -2.410 -5.987 199 HA ARG 28 HA ARG 28 1.412 0.301 -6.223 200 HB2 ARG 28 2HB ARG 28 0.756 -2.279 -7.610 201 HB3 ARG 28 1HB ARG 28 -0.261 -0.852 -7.730 202 HG2 ARG 28 2HG ARG 28 1.331 0.325 -8.846 203 HG3 ARG 28 1HG ARG 28 2.629 -0.756 -8.392 204 HD2 ARG 28 2HD ARG 28 1.365 -2.520 -9.762 205 HD3 ARG 28 1HD ARG 28 0.351 -1.273 -10.287 206 HE ARG 28 HE ARG 28 2.032 -0.209 -11.481 207 HH11 ARG 28 1HH1 ARG 28 3.235 -3.158 -9.931 208 HH12 ARG 28 2HH1 ARG 28 4.667 -3.256 -10.852 209 HH21 ARG 28 1HH2 ARG 28 4.056 -0.317 -12.740 210 HH22 ARG 28 2HH2 ARG 28 5.142 -1.583 -12.471 211 H LEU 29 H LEU 29 -0.495 0.731 -5.341 212 HA LEU 29 HA LEU 29 -1.449 -1.272 -3.463 213 HB2 LEU 29 2HB LEU 29 -1.941 1.703 -3.508 214 HB3 LEU 29 1HB LEU 29 -2.323 0.578 -2.210 215 HG LEU 29 HG LEU 29 0.426 1.416 -3.110 216 HD11 LEU 29 1HD1 LEU 29 0.602 2.362 -0.874 217 HD12 LEU 29 2HD1 LEU 29 -1.098 1.993 -0.597 218 HD13 LEU 29 3HD1 LEU 29 -0.633 3.140 -1.859 219 HD21 LEU 29 3HD2 LEU 29 1.258 0.160 -1.240 220 HD22 LEU 29 1HD2 LEU 29 0.466 -0.889 -2.422 221 HD23 LEU 29 2HD2 LEU 29 -0.372 -0.450 -0.909 222 H CYS 30 H CYS 30 -3.283 -2.219 -4.013 223 HA CYS 30 HA CYS 30 -5.292 -0.578 -5.275 224 HB2 CYS 30 2HB CYS 30 -6.133 -2.726 -6.518 225 HB3 CYS 30 1HB CYS 30 -4.648 -1.998 -7.142 226 H CYS 31 H CYS 31 -7.399 -0.939 -4.508 227 HA CYS 31 HA CYS 31 -7.328 -2.507 -2.046 228 HB2 CYS 31 2HB CYS 31 -6.591 -0.101 -1.725 229 HB3 CYS 31 1HB CYS 31 -8.221 0.346 -2.195 230 H ARG 32 H ARG 32 -9.374 -2.934 -1.189 231 HA ARG 32 HA ARG 32 -11.659 -2.444 -2.972 232 HB2 ARG 32 2HB ARG 32 -12.460 -4.706 -2.560 233 HB3 ARG 32 1HB ARG 32 -10.839 -4.774 -3.240 234 HG2 ARG 32 2HG ARG 32 -9.934 -5.128 -0.974 235 HG3 ARG 32 1HG ARG 32 -11.578 -5.126 -0.339 236 HD2 ARG 32 2HD ARG 32 -10.375 -7.091 -2.285 237 HD3 ARG 32 1HD ARG 32 -10.816 -7.372 -0.600 238 HE ARG 32 HE ARG 32 -13.079 -6.489 -2.042 239 HH11 ARG 32 1HH1 ARG 32 -11.104 -9.387 -1.570 240 HH12 ARG 32 2HH1 ARG 32 -12.309 -10.439 -2.145 241 HH21 ARG 32 1HH2 ARG 32 -14.706 -7.974 -2.817 242 HH22 ARG 32 2HH2 ARG 32 -14.349 -9.654 -2.852 243 H1 ALA 101 H ALA 101 -10.012 7.354 -4.496 244 HA ALA 101 HA ALA 101 -9.486 5.837 -2.735 245 HB1 ALA 101 1HB ALA 101 -8.676 3.992 -4.997 246 HB2 ALA 101 2HB ALA 101 -10.113 3.805 -3.991 247 HB3 ALA 101 3HB ALA 101 -8.510 3.665 -3.276 248 H THR 102 H THR 102 -7.875 7.178 -2.057 249 HA THR 102 HA THR 102 -5.387 6.993 -3.598 250 HB THR 102 HB THR 102 -6.257 9.181 -1.670 251 HG1 THR 102 1HG THR 102 -6.978 8.865 -4.106 252 HG21 THR 102 3HG2 THR 102 -3.774 8.963 -3.393 253 HG22 THR 102 1HG2 THR 102 -3.822 8.819 -1.636 254 HG23 THR 102 2HG2 THR 102 -4.219 10.354 -2.403 255 H CYS 103 H CYS 103 -4.051 5.586 -2.684 256 HA CYS 103 HA CYS 103 -4.090 5.307 0.245 257 HB2 CYS 103 2HB CYS 103 -3.363 3.183 -1.799 258 HB3 CYS 103 1HB CYS 103 -3.391 2.974 -0.063 259 H TYR 104 H TYR 104 -1.868 4.611 1.093 260 HA TYR 104 HA TYR 104 0.337 5.005 -0.615 261 HB2 TYR 104 2HB TYR 104 1.336 6.867 0.780 262 HB3 TYR 104 1HB TYR 104 0.007 7.339 -0.267 263 HD1 TYR 104 1HD TYR 104 1.022 6.739 3.227 264 HD2 TYR 104 2HD TYR 104 -2.037 8.140 0.630 265 HE1 TYR 104 1HE TYR 104 -0.129 7.733 5.137 266 HE2 TYR 104 2HE TYR 104 -3.208 9.144 2.505 267 HH TYR 104 HH TYR 104 -3.330 8.894 4.879 268 H CYS 105 H CYS 105 2.281 4.417 0.267 269 HA CYS 105 HA CYS 105 1.939 2.404 2.309 270 HB2 CYS 105 2HB CYS 105 4.446 3.068 0.722 271 HB3 CYS 105 1HB CYS 105 3.998 1.574 1.551 272 H ARG 106 H ARG 106 2.081 3.217 4.340 273 HA ARG 106 HA ARG 106 4.025 5.353 4.904 274 HB2 ARG 106 2HB ARG 106 2.793 5.515 7.126 275 HB3 ARG 106 1HB ARG 106 1.892 6.012 5.700 276 HG2 ARG 106 2HG ARG 106 0.609 4.104 5.698 277 HG3 ARG 106 1HG ARG 106 1.691 3.245 6.808 278 HD2 ARG 106 2HD ARG 106 0.974 4.714 8.600 279 HD3 ARG 106 1HD ARG 106 0.005 5.654 7.467 280 HE ARG 106 HE ARG 106 -1.225 3.518 7.080 281 HH11 ARG 106 1HH1 ARG 106 0.354 4.009 10.171 282 HH12 ARG 106 2HH1 ARG 106 -0.876 3.351 11.128 283 HH21 ARG 106 1HH2 ARG 106 -2.980 2.529 8.405 284 HH22 ARG 106 2HH2 ARG 106 -2.795 2.481 10.103 285 H THR 107 H THR 107 5.535 5.179 6.551 286 HA THR 107 HA THR 107 6.408 2.481 7.101 287 HB THR 107 HB THR 107 8.423 3.659 8.000 288 HG1 THR 107 1HG THR 107 8.303 5.725 8.347 289 HG21 THR 107 3HG2 THR 107 8.279 2.975 5.648 290 HG22 THR 107 1HG2 THR 107 9.208 4.467 5.822 291 HG23 THR 107 2HG2 THR 107 7.537 4.519 5.247 292 H GLY 108 H GLY 108 4.257 4.433 8.576 293 HA2 GLY 108 2HA GLY 108 4.559 3.225 11.122 294 HA3 GLY 108 1HA GLY 108 4.997 4.935 11.121 295 H ARG 109 H ARG 109 3.424 6.272 11.539 296 HA ARG 109 HA ARG 109 0.716 5.267 11.204 297 HB2 ARG 109 2HB ARG 109 0.020 6.995 12.824 298 HB3 ARG 109 1HB ARG 109 1.183 5.848 13.468 299 HG2 ARG 109 2HG ARG 109 2.951 7.468 13.224 300 HG3 ARG 109 1HG ARG 109 1.822 8.615 12.497 301 HD2 ARG 109 2HD ARG 109 0.513 8.652 14.551 302 HD3 ARG 109 1HD ARG 109 1.593 7.469 15.280 303 HE ARG 109 HE ARG 109 3.315 9.366 14.755 304 HH11 ARG 109 1HH1 ARG 109 0.007 9.812 15.968 305 HH12 ARG 109 2HH1 ARG 109 0.415 11.125 16.966 306 HH21 ARG 109 1HH2 ARG 109 3.849 11.213 16.127 307 HH22 ARG 109 2HH2 ARG 109 2.614 11.939 17.046 308 H CYS 110 H CYS 110 -0.985 7.002 10.717 309 HA CYS 110 HA CYS 110 -0.003 9.212 9.192 310 HB2 CYS 110 2HB CYS 110 -1.924 8.740 7.538 311 HB3 CYS 110 1HB CYS 110 -0.600 7.634 7.367 312 H ALA 111 H ALA 111 -1.995 10.780 8.890 313 HA ALA 111 HA ALA 111 -3.002 11.215 11.529 314 HB1 ALA 111 1HB ALA 111 -3.691 12.615 8.939 315 HB2 ALA 111 2HB ALA 111 -2.393 13.076 10.034 316 HB3 ALA 111 3HB ALA 111 -4.076 13.196 10.556 317 H THR 112 H THR 112 -4.111 9.691 8.720 318 HA THR 112 HA THR 112 -6.825 9.375 9.714 319 HB THR 112 HB THR 112 -6.476 9.759 7.279 320 HG1 THR 112 1HG THR 112 -7.554 7.359 8.199 321 HG21 THR 112 3HG2 THR 112 -4.262 8.658 7.076 322 HG22 THR 112 1HG2 THR 112 -5.404 8.042 5.871 323 HG23 THR 112 2HG2 THR 112 -5.029 7.121 7.336 324 H ARG 113 H ARG 113 -4.628 8.367 11.273 325 HA ARG 113 HA ARG 113 -3.962 5.689 11.033 326 HB2 ARG 113 2HB ARG 113 -2.950 7.242 12.625 327 HB3 ARG 113 1HB ARG 113 -4.432 7.240 13.563 328 HG2 ARG 113 2HG ARG 113 -4.153 4.903 14.090 329 HG3 ARG 113 1HG ARG 113 -2.739 4.814 13.037 330 HD2 ARG 113 2HD ARG 113 -2.083 4.990 15.347 331 HD3 ARG 113 1HD ARG 113 -1.619 6.394 14.360 332 HE ARG 113 HE ARG 113 -4.031 7.067 15.478 333 HH11 ARG 113 1HH1 ARG 113 -0.891 6.157 16.905 334 HH12 ARG 113 2HH1 ARG 113 -1.077 7.197 18.240 335 HH21 ARG 113 1HH2 ARG 113 -4.254 8.442 17.284 336 HH22 ARG 113 2HH2 ARG 113 -3.028 8.552 18.462 337 H GLU 114 H GLU 114 -4.748 3.811 11.946 338 HA GLU 114 HA GLU 114 -6.155 2.266 12.508 339 HB2 GLU 114 2HB GLU 114 -7.984 4.467 13.473 340 HB3 GLU 114 1HB GLU 114 -8.316 2.751 13.686 341 HG2 GLU 114 2HG GLU 114 -5.964 4.271 14.805 342 HG3 GLU 114 1HG GLU 114 -7.348 3.653 15.706 343 H SER 115 H SER 115 -6.523 4.256 10.088 344 HA SER 115 HA SER 115 -8.635 2.665 8.851 345 HB2 SER 115 2HB SER 115 -8.624 5.183 8.545 346 HB3 SER 115 1HB SER 115 -7.055 5.044 7.770 347 HG SER 115 HG SER 115 -9.476 3.866 6.863 348 H LEU 116 H LEU 116 -6.314 1.432 9.722 349 HA LEU 116 HA LEU 116 -4.439 1.102 7.552 350 HB2 LEU 116 2HB LEU 116 -3.870 0.940 10.067 351 HB3 LEU 116 1HB LEU 116 -4.758 -0.550 10.095 352 HG LEU 116 HG LEU 116 -2.101 -0.118 8.623 353 HD11 LEU 116 1HD1 LEU 116 -1.227 -1.555 10.294 354 HD12 LEU 116 2HD1 LEU 116 -2.795 -1.598 11.104 355 HD13 LEU 116 3HD1 LEU 116 -1.901 -0.081 10.990 356 HD21 LEU 116 3HD2 LEU 116 -3.626 -1.787 7.536 357 HD22 LEU 116 1HD2 LEU 116 -3.698 -2.643 9.074 358 HD23 LEU 116 2HD2 LEU 116 -2.159 -2.473 8.220 359 H SER 117 H SER 117 -4.759 -0.151 5.989 360 HA SER 117 HA SER 117 -7.092 -1.916 6.036 361 HB2 SER 117 2HB SER 117 -7.029 -1.462 3.575 362 HB3 SER 117 1HB SER 117 -7.373 -0.080 4.623 363 HG SER 117 HG SER 117 -5.835 0.332 2.983 364 H GLY 118 H GLY 118 -3.682 -1.843 5.582 365 HA2 GLY 118 2HA GLY 118 -3.483 -4.627 5.439 366 HA3 GLY 118 1HA GLY 118 -3.259 -3.923 3.837 367 H VAL 119 H VAL 119 -1.212 -5.255 5.098 368 HA VAL 119 HA VAL 119 0.639 -3.025 5.408 369 HB VAL 119 HB VAL 119 1.981 -4.280 7.029 370 HG11 VAL 119 1HG1 VAL 119 -0.799 -3.739 7.996 371 HG12 VAL 119 2HG1 VAL 119 0.511 -2.550 7.810 372 HG13 VAL 119 3HG1 VAL 119 0.651 -3.831 9.007 373 HG21 VAL 119 3HG2 VAL 119 1.005 -6.129 8.305 374 HG22 VAL 119 1HG2 VAL 119 1.221 -6.530 6.602 375 HG23 VAL 119 2HG2 VAL 119 -0.386 -6.127 7.222 376 H CYS 120 H CYS 120 2.751 -3.490 4.948 377 HA CYS 120 HA CYS 120 3.407 -6.033 3.811 378 HB2 CYS 120 2HB CYS 120 4.576 -4.757 1.888 379 HB3 CYS 120 1HB CYS 120 2.848 -5.097 1.699 380 H GLU 121 H GLU 121 5.209 -6.626 4.680 381 HA GLU 121 HA GLU 121 6.894 -4.529 5.723 382 HB2 GLU 121 2HB GLU 121 6.237 -6.164 7.358 383 HB3 GLU 121 1HB GLU 121 6.738 -7.474 6.335 384 HG2 GLU 121 2HG GLU 121 8.728 -5.454 7.291 385 HG3 GLU 121 1HG GLU 121 8.224 -6.770 8.339 386 H ILE 122 H ILE 122 8.629 -4.038 4.863 387 HA ILE 122 HA ILE 122 9.693 -5.733 2.723 388 HB ILE 122 HB ILE 122 9.285 -2.734 2.385 389 HG12 ILE 122 2HG1 ILE 122 7.580 -4.945 1.179 390 HG13 ILE 122 1HG1 ILE 122 7.108 -4.012 2.593 391 HG21 ILE 122 1HG2 ILE 122 9.739 -3.239 0.055 392 HG22 ILE 122 2HG2 ILE 122 9.990 -4.940 0.469 393 HG23 ILE 122 3HG2 ILE 122 11.083 -3.712 1.093 394 HD11 ILE 122 3HD1 ILE 122 7.745 -2.914 -0.084 395 HD12 ILE 122 1HD1 ILE 122 7.162 -2.019 1.317 396 HD13 ILE 122 2HD1 ILE 122 6.108 -3.221 0.539 397 H SER 123 H SER 123 11.744 -5.894 2.944 398 HA SER 123 HA SER 123 13.866 -5.788 3.726 399 HB2 SER 123 2HB SER 123 15.000 -3.562 3.463 400 HB3 SER 123 1HB SER 123 14.071 -4.055 2.054 401 HG SER 123 HG SER 123 12.427 -2.680 3.572 402 H GLY 124 H GLY 124 11.857 -5.782 5.842 403 HA2 GLY 124 2HA GLY 124 12.242 -5.993 8.115 404 HA3 GLY 124 1HA GLY 124 13.666 -4.978 7.959 405 H ARG 125 H ARG 125 11.225 -3.447 6.348 406 HA ARG 125 HA ARG 125 10.555 -1.862 8.702 407 HB2 ARG 125 2HB ARG 125 11.925 -0.728 6.987 408 HB3 ARG 125 1HB ARG 125 10.685 -1.074 5.795 409 HG2 ARG 125 2HG ARG 125 9.101 0.291 7.034 410 HG3 ARG 125 1HG ARG 125 10.365 0.573 8.245 411 HD2 ARG 125 2HD ARG 125 10.527 1.358 5.338 412 HD3 ARG 125 1HD ARG 125 10.144 2.456 6.662 413 HE ARG 125 HE ARG 125 12.449 1.520 7.490 414 HH11 ARG 125 1HH1 ARG 125 11.577 2.491 4.181 415 HH12 ARG 125 2HH1 ARG 125 13.109 3.101 3.820 416 HH21 ARG 125 1HH2 ARG 125 14.556 2.329 6.964 417 HH22 ARG 125 2HH2 ARG 125 14.864 3.002 5.440 418 H LEU 126 H LEU 126 8.332 -1.486 9.056 419 HA LEU 126 HA LEU 126 6.611 -3.202 7.482 420 HB2 LEU 126 2HB LEU 126 6.740 -2.769 10.155 421 HB3 LEU 126 1HB LEU 126 5.526 -1.586 9.701 422 HG LEU 126 HG LEU 126 4.208 -3.375 10.256 423 HD11 LEU 126 1HD1 LEU 126 4.590 -3.804 7.382 424 HD12 LEU 126 2HD1 LEU 126 3.513 -2.643 8.196 425 HD13 LEU 126 3HD1 LEU 126 3.278 -4.395 8.402 426 HD21 LEU 126 3HD2 LEU 126 5.891 -5.007 10.739 427 HD22 LEU 126 1HD2 LEU 126 6.239 -5.212 9.022 428 HD23 LEU 126 2HD2 LEU 126 4.683 -5.721 9.675 429 H TYR 127 H TYR 127 5.536 -2.327 5.845 430 HA TYR 127 HA TYR 127 4.943 0.500 5.843 431 HB2 TYR 127 2HB TYR 127 5.187 -1.602 3.739 432 HB3 TYR 127 1HB TYR 127 4.437 -0.096 3.305 433 HD1 TYR 127 1HD TYR 127 5.856 2.020 3.577 434 HD2 TYR 127 2HD TYR 127 7.514 -1.885 3.836 435 HE1 TYR 127 1HE TYR 127 8.096 2.949 3.203 436 HE2 TYR 127 2HE TYR 127 9.766 -0.955 3.450 437 HH TYR 127 HH TYR 127 10.826 1.079 2.486 438 H ARG 128 H ARG 128 3.083 0.999 6.491 439 HA ARG 128 HA ARG 128 0.852 -0.914 6.476 440 HB2 ARG 128 2HB ARG 128 1.296 1.694 7.873 441 HB3 ARG 128 1HB ARG 128 -0.273 0.910 7.835 442 HG2 ARG 128 2HG ARG 128 0.470 -0.867 9.084 443 HG3 ARG 128 1HG ARG 128 2.163 -0.488 8.848 444 HD2 ARG 128 2HD ARG 128 1.710 1.664 10.115 445 HD3 ARG 128 1HD ARG 128 0.130 1.099 10.401 446 HE ARG 128 HE ARG 128 0.914 -0.646 11.773 447 HH11 ARG 128 1HH1 ARG 128 3.569 1.371 10.626 448 HH12 ARG 128 2HH1 ARG 128 4.581 1.039 11.961 449 HH21 ARG 128 1HH2 ARG 128 2.314 -1.122 13.566 450 HH22 ARG 128 2HH2 ARG 128 3.862 -0.418 13.662 451 H LEU 129 H LEU 129 -1.101 -0.359 5.615 452 HA LEU 129 HA LEU 129 -0.976 1.808 3.669 453 HB2 LEU 129 2HB LEU 129 -2.723 -0.652 3.664 454 HB3 LEU 129 1HB LEU 129 -2.545 0.521 2.371 455 HG LEU 129 HG LEU 129 -0.413 -1.390 3.328 456 HD11 LEU 129 1HD1 LEU 129 -0.627 -2.385 1.113 457 HD12 LEU 129 2HD1 LEU 129 -2.041 -1.374 0.805 458 HD13 LEU 129 3HD1 LEU 129 -2.067 -2.575 2.111 459 HD21 LEU 129 3HD2 LEU 129 0.597 0.664 2.568 460 HD22 LEU 129 1HD2 LEU 129 -0.364 0.577 1.067 461 HD23 LEU 129 2HD2 LEU 129 0.845 -0.663 1.424 462 H CYS 130 H CYS 130 -2.220 3.486 4.189 463 HA CYS 130 HA CYS 130 -4.819 2.924 5.313 464 HB2 CYS 130 2HB CYS 130 -4.688 5.224 6.551 465 HB3 CYS 130 1HB CYS 130 -3.667 3.948 7.221 466 H CYS 131 H CYS 131 -6.499 4.229 4.393 467 HA CYS 131 HA CYS 131 -5.470 5.466 1.962 468 HB2 CYS 131 2HB CYS 131 -5.974 2.968 1.717 469 HB3 CYS 131 1HB CYS 131 -7.641 3.421 1.960 470 H ARG 132 H ARG 132 -6.912 6.785 0.909 471 HA ARG 132 HA ARG 132 -9.320 7.452 2.360 472 HB2 ARG 132 2HB ARG 132 -9.036 9.783 1.337 473 HB3 ARG 132 1HB ARG 132 -7.941 9.350 2.639 474 HG2 ARG 132 2HG ARG 132 -6.168 9.535 1.371 475 HG3 ARG 132 1HG ARG 132 -6.927 8.689 0.023 476 HD2 ARG 132 2HD ARG 132 -7.445 11.567 0.774 477 HD3 ARG 132 1HD ARG 132 -6.380 11.041 -0.537 478 HE ARG 132 HE ARG 132 -8.792 9.785 -0.927 479 HH11 ARG 132 1HH1 ARG 132 -7.586 13.116 -0.955 480 HH12 ARG 132 2HH1 ARG 132 -8.787 13.684 -2.036 481 HH21 ARG 132 1HH2 ARG 132 -10.428 10.594 -2.435 482 HH22 ARG 132 2HH2 ARG 132 -10.422 12.226 -2.888 Start of MODEL 17 1 H1 ALA 1 1HT ALA 1 -12.712 -0.575 4.321 2 H2 ALA 1 2HT ALA 1 -11.722 -1.477 5.371 3 H3 ALA 1 3HT ALA 1 -12.466 -2.219 4.064 4 HA ALA 1 HA ALA 1 -11.184 -0.999 2.515 5 HB1 ALA 1 2HB ALA 1 -9.342 0.440 3.272 6 HB2 ALA 1 3HB ALA 1 -9.821 0.199 4.939 7 HB3 ALA 1 1HB ALA 1 -10.886 1.069 3.836 8 H THR 2 H THR 2 -10.317 -2.841 1.833 9 HA THR 2 HA THR 2 -8.129 -3.906 3.463 10 HB THR 2 HB THR 2 -9.866 -5.388 1.456 11 HG1 THR 2 1HG THR 2 -9.711 -5.591 4.293 12 HG21 THR 2 3HG2 THR 2 -7.694 -6.395 3.305 13 HG22 THR 2 1HG2 THR 2 -7.555 -6.234 1.552 14 HG23 THR 2 2HG2 THR 2 -8.691 -7.393 2.246 15 H CYS 3 H CYS 3 -6.295 -3.242 2.595 16 HA CYS 3 HA CYS 3 -6.146 -2.951 -0.324 17 HB2 CYS 3 2HB CYS 3 -4.676 -1.257 1.715 18 HB3 CYS 3 1HB CYS 3 -4.749 -1.007 -0.012 19 H TYR 4 H TYR 4 -3.824 -3.279 -1.071 20 HA TYR 4 HA TYR 4 -2.038 -4.395 0.789 21 HB2 TYR 4 2HB TYR 4 -1.819 -6.639 -0.350 22 HB3 TYR 4 1HB TYR 4 -3.279 -6.416 0.595 23 HD1 TYR 4 2HD TYR 4 -5.448 -6.310 -0.503 24 HD2 TYR 4 1HD TYR 4 -1.893 -6.878 -2.765 25 HE1 TYR 4 2HE TYR 4 -6.796 -7.050 -2.411 26 HE2 TYR 4 1HE TYR 4 -3.231 -7.628 -4.682 27 HH TYR 4 HH TYR 4 -6.640 -7.242 -4.755 28 H CYS 5 H CYS 5 -0.003 -4.783 0.009 29 HA CYS 5 HA CYS 5 0.659 -2.933 -2.100 30 HB2 CYS 5 2HB CYS 5 2.552 -4.534 -0.342 31 HB3 CYS 5 1HB CYS 5 2.847 -3.048 -1.251 32 H ARG 6 H ARG 6 0.538 -3.810 -4.128 33 HA ARG 6 HA ARG 6 1.718 -6.431 -4.436 34 HB2 ARG 6 2HB ARG 6 0.318 -6.657 -6.570 35 HB3 ARG 6 1HB ARG 6 -0.459 -6.914 -5.033 36 HG2 ARG 6 2HG ARG 6 -2.004 -5.674 -6.230 37 HG3 ARG 6 1HG ARG 6 -1.164 -4.481 -5.245 38 HD2 ARG 6 2HD ARG 6 0.173 -3.837 -7.149 39 HD3 ARG 6 1HD ARG 6 -0.616 -5.043 -8.158 40 HE ARG 6 HE ARG 6 -2.412 -3.180 -6.873 41 HH11 ARG 6 1HH1 ARG 6 -0.627 -3.818 -9.882 42 HH12 ARG 6 2HH1 ARG 6 -1.578 -2.850 -10.861 43 HH21 ARG 6 1HH2 ARG 6 -3.780 -1.731 -8.316 44 HH22 ARG 6 2HH2 ARG 6 -3.361 -1.639 -9.966 45 H THR 7 H THR 7 3.008 -6.982 -5.949 46 HA THR 7 HA THR 7 4.785 -4.823 -6.692 47 HB THR 7 HB THR 7 6.368 -6.676 -7.092 48 HG1 THR 7 1HG THR 7 5.678 -8.735 -6.963 49 HG21 THR 7 3HG2 THR 7 6.098 -5.729 -4.847 50 HG22 THR 7 1HG2 THR 7 6.467 -7.450 -4.771 51 HG23 THR 7 2HG2 THR 7 4.818 -6.891 -4.515 52 H GLY 8 H GLY 8 2.241 -5.962 -8.142 53 HA2 GLY 8 2HA GLY 8 3.181 -5.427 -10.777 54 HA3 GLY 8 1HA GLY 8 2.726 -7.116 -10.514 55 H ARG 9 H ARG 9 0.708 -7.633 -10.665 56 HA ARG 9 HA ARG 9 -1.148 -5.432 -10.518 57 HB2 ARG 9 2HB ARG 9 -2.635 -6.703 -12.072 58 HB3 ARG 9 1HB ARG 9 -1.098 -6.243 -12.789 59 HG2 ARG 9 2HG ARG 9 -0.256 -8.480 -12.487 60 HG3 ARG 9 1HG ARG 9 -1.751 -8.955 -11.675 61 HD2 ARG 9 2HD ARG 9 -1.539 -7.991 -14.535 62 HD3 ARG 9 1HD ARG 9 -1.682 -9.680 -14.050 63 HE ARG 9 HE ARG 9 -3.844 -8.666 -12.908 64 HH11 ARG 9 1HH1 ARG 9 -2.643 -8.236 -16.228 65 HH12 ARG 9 2HH1 ARG 9 -4.187 -7.897 -16.860 66 HH21 ARG 9 1HH2 ARG 9 -5.945 -8.256 -13.820 67 HH22 ARG 9 2HH2 ARG 9 -6.081 -7.913 -15.475 68 H CYS 10 H CYS 10 -3.490 -6.532 -10.155 69 HA CYS 10 HA CYS 10 -3.444 -8.801 -8.392 70 HB2 CYS 10 2HB CYS 10 -4.937 -7.471 -6.794 71 HB3 CYS 10 1HB CYS 10 -3.259 -7.022 -6.703 72 H ALA 11 H ALA 11 -5.823 -9.440 -7.989 73 HA ALA 11 HA ALA 11 -7.169 -9.194 -10.514 74 HB1 ALA 11 1HB ALA 11 -8.788 -10.794 -9.635 75 HB2 ALA 11 2HB ALA 11 -8.072 -10.660 -8.028 76 HB3 ALA 11 3HB ALA 11 -7.145 -11.362 -9.352 77 H THR 12 H THR 12 -7.238 -6.990 -10.236 78 HA THR 12 HA THR 12 -9.707 -5.847 -10.156 79 HB THR 12 HB THR 12 -9.760 -6.196 -7.670 80 HG1 THR 12 1HG THR 12 -9.686 -3.645 -8.752 81 HG21 THR 12 3HG2 THR 12 -7.355 -6.178 -7.195 82 HG22 THR 12 1HG2 THR 12 -8.186 -4.988 -6.190 83 HG23 THR 12 2HG2 THR 12 -7.278 -4.467 -7.611 84 H ARG 13 H ARG 13 -7.172 -5.981 -11.521 85 HA ARG 13 HA ARG 13 -5.450 -3.851 -11.086 86 HB2 ARG 13 2HB ARG 13 -4.866 -5.752 -12.510 87 HB3 ARG 13 1HB ARG 13 -6.055 -5.231 -13.700 88 HG2 ARG 13 2HG ARG 13 -4.860 -3.180 -14.062 89 HG3 ARG 13 1HG ARG 13 -3.716 -3.608 -12.796 90 HD2 ARG 13 2HD ARG 13 -2.925 -5.402 -14.029 91 HD3 ARG 13 1HD ARG 13 -4.153 -5.187 -15.294 92 HE ARG 13 HE ARG 13 -3.020 -2.798 -15.250 93 HH11 ARG 13 1HH1 ARG 13 -1.432 -5.971 -15.425 94 HH12 ARG 13 2HH1 ARG 13 -0.090 -5.402 -16.286 95 HH21 ARG 13 1HH2 ARG 13 -1.164 -2.047 -16.441 96 HH22 ARG 13 2HH2 ARG 13 0.064 -3.133 -16.886 97 H GLU 14 H GLU 14 -5.167 -1.876 -12.081 98 HA GLU 14 HA GLU 14 -5.652 0.059 -12.768 99 HB2 GLU 14 2HB GLU 14 -7.937 -1.242 -14.158 100 HB3 GLU 14 1HB GLU 14 -8.008 0.504 -13.954 101 HG2 GLU 14 2HG GLU 14 -7.025 -0.235 -16.114 102 HG3 GLU 14 1HG GLU 14 -5.987 0.818 -15.173 103 H SER 15 H SER 15 -7.447 -1.517 -10.530 104 HA SER 15 HA SER 15 -8.161 1.041 -9.405 105 HB2 SER 15 2HB SER 15 -9.689 -0.917 -8.968 106 HB3 SER 15 1HB SER 15 -8.359 -1.727 -8.141 107 HG SER 15 HG SER 15 -9.950 -0.487 -6.842 108 H LEU 16 H LEU 16 -5.966 1.601 -9.792 109 HA LEU 16 HA LEU 16 -4.155 0.685 -7.690 110 HB2 LEU 16 2HB LEU 16 -3.324 0.600 -10.059 111 HB3 LEU 16 1HB LEU 16 -3.601 2.312 -10.220 112 HG LEU 16 HG LEU 16 -1.399 0.994 -8.545 113 HD11 LEU 16 1HD1 LEU 16 -1.105 0.768 -10.898 114 HD12 LEU 16 2HD1 LEU 16 0.044 1.915 -10.202 115 HD13 LEU 16 3HD1 LEU 16 -1.345 2.500 -11.118 116 HD21 LEU 16 3HD2 LEU 16 -2.111 3.142 -7.539 117 HD22 LEU 16 1HD2 LEU 16 -2.029 3.896 -9.134 118 HD23 LEU 16 2HD2 LEU 16 -0.567 3.312 -8.390 119 H SER 17 H SER 17 -4.084 1.765 -6.045 120 HA SER 17 HA SER 17 -5.474 4.338 -5.991 121 HB2 SER 17 2HB SER 17 -4.855 2.422 -3.763 122 HB3 SER 17 1HB SER 17 -5.955 3.803 -3.709 123 HG SER 17 HG SER 17 -7.157 2.730 -5.403 124 H GLY 18 H GLY 18 -2.375 2.901 -5.563 125 HA2 GLY 18 2HA GLY 18 -1.097 5.369 -5.179 126 HA3 GLY 18 1HA GLY 18 -1.216 4.514 -3.643 127 H VAL 19 H VAL 19 1.235 5.052 -4.787 128 HA VAL 19 HA VAL 19 2.160 2.325 -5.203 129 HB VAL 19 HB VAL 19 3.906 3.134 -6.825 130 HG11 VAL 19 1HG1 VAL 19 2.104 1.803 -7.612 131 HG12 VAL 19 2HG1 VAL 19 2.375 3.098 -8.789 132 HG13 VAL 19 3HG1 VAL 19 1.048 3.207 -7.611 133 HG21 VAL 19 3HG2 VAL 19 3.729 5.524 -6.437 134 HG22 VAL 19 1HG2 VAL 19 2.073 5.516 -7.045 135 HG23 VAL 19 2HG2 VAL 19 3.409 5.153 -8.134 136 H CYS 20 H CYS 20 4.266 1.961 -4.725 137 HA CYS 20 HA CYS 20 5.885 4.022 -3.593 138 HB2 CYS 20 2HB CYS 20 6.291 2.551 -1.527 139 HB3 CYS 20 1HB CYS 20 4.799 3.508 -1.498 140 H GLU 21 H GLU 21 7.864 3.659 -4.358 141 HA GLU 21 HA GLU 21 8.389 0.922 -5.121 142 HB2 GLU 21 2HB GLU 21 8.668 2.539 -6.904 143 HB3 GLU 21 1HB GLU 21 9.752 3.492 -5.950 144 HG2 GLU 21 2HG GLU 21 10.413 0.651 -6.646 145 HG3 GLU 21 1HG GLU 21 10.728 1.936 -7.789 146 H ILE 22 H ILE 22 9.615 -0.239 -4.056 147 HA ILE 22 HA ILE 22 11.274 0.965 -1.962 148 HB ILE 22 HB ILE 22 9.394 -1.375 -1.369 149 HG12 ILE 22 2HG1 ILE 22 9.041 1.559 -0.628 150 HG13 ILE 22 1HG1 ILE 22 8.144 0.723 -1.881 151 HG21 ILE 22 1HG2 ILE 22 9.968 -0.918 0.926 152 HG22 ILE 22 2HG2 ILE 22 11.037 0.387 0.418 153 HG23 ILE 22 3HG2 ILE 22 11.413 -1.278 -0.022 154 HD11 ILE 22 3HD1 ILE 22 6.899 0.932 0.174 155 HD12 ILE 22 1HD1 ILE 22 8.156 0.011 1.005 156 HD13 ILE 22 2HD1 ILE 22 7.203 -0.756 -0.273 157 H SER 23 H SER 23 13.143 0.071 -1.907 158 HA SER 23 HA SER 23 14.986 -1.127 -2.393 159 HB2 SER 23 2HB SER 23 14.864 -3.588 -1.945 160 HB3 SER 23 1HB SER 23 14.117 -2.609 -0.689 161 HG SER 23 HG SER 23 12.215 -3.092 -2.341 162 H GLY 24 H GLY 24 13.425 -0.320 -4.736 163 HA2 GLY 24 2HA GLY 24 14.040 -0.493 -6.951 164 HA3 GLY 24 1HA GLY 24 14.851 -2.009 -6.594 165 H ARG 25 H ARG 25 11.688 -1.907 -5.344 166 HA ARG 25 HA ARG 25 10.642 -3.263 -7.712 167 HB2 ARG 25 2HB ARG 25 11.234 -4.787 -5.800 168 HB3 ARG 25 1HB ARG 25 10.060 -3.916 -4.823 169 HG2 ARG 25 2HG ARG 25 8.308 -4.545 -6.412 170 HG3 ARG 25 1HG ARG 25 9.556 -5.406 -7.325 171 HD2 ARG 25 2HD ARG 25 8.694 -6.020 -4.492 172 HD3 ARG 25 1HD ARG 25 8.241 -6.945 -5.920 173 HE ARG 25 HE ARG 25 11.066 -6.655 -5.362 174 HH11 ARG 25 1HH1 ARG 25 8.188 -8.798 -5.266 175 HH12 ARG 25 2HH1 ARG 25 9.089 -10.166 -4.905 176 HH21 ARG 25 1HH2 ARG 25 12.255 -8.572 -4.842 177 HH22 ARG 25 2HH2 ARG 25 11.441 -10.055 -4.663 178 H LEU 26 H LEU 26 8.446 -2.703 -8.220 179 HA LEU 26 HA LEU 26 7.616 -0.262 -6.884 180 HB2 LEU 26 2HB LEU 26 7.621 -0.963 -9.535 181 HB3 LEU 26 1HB LEU 26 5.978 -1.351 -9.061 182 HG LEU 26 HG LEU 26 5.777 0.796 -9.872 183 HD11 LEU 26 1HD1 LEU 26 6.109 1.227 -6.977 184 HD12 LEU 26 2HD1 LEU 26 4.677 0.600 -7.818 185 HD13 LEU 26 3HD1 LEU 26 5.240 2.256 -8.124 186 HD21 LEU 26 3HD2 LEU 26 7.313 2.651 -9.297 187 HD22 LEU 26 1HD2 LEU 26 8.091 1.337 -10.183 188 HD23 LEU 26 2HD2 LEU 26 8.328 1.465 -8.457 189 H TYR 27 H TYR 27 6.136 -0.361 -5.360 190 HA TYR 27 HA TYR 27 4.345 -2.632 -5.216 191 HB2 TYR 27 2HB TYR 27 5.401 -0.653 -3.267 192 HB3 TYR 27 1HB TYR 27 4.036 -1.598 -2.772 193 HD1 TYR 27 1HD TYR 27 4.343 -4.127 -2.719 194 HD2 TYR 27 2HD TYR 27 7.606 -1.449 -3.242 195 HE1 TYR 27 1HE TYR 27 5.905 -5.908 -2.090 196 HE2 TYR 27 2HE TYR 27 9.176 -3.246 -2.593 197 HH TYR 27 HH TYR 27 9.176 -5.342 -1.404 198 H ARG 28 H ARG 28 2.558 -2.267 -6.223 199 HA ARG 28 HA ARG 28 1.303 0.383 -6.254 200 HB2 ARG 28 2HB ARG 28 0.743 -2.181 -7.687 201 HB3 ARG 28 1HB ARG 28 -0.338 -0.795 -7.772 202 HG2 ARG 28 2HG ARG 28 1.212 0.442 -8.946 203 HG3 ARG 28 1HG ARG 28 2.541 -0.639 -8.563 204 HD2 ARG 28 2HD ARG 28 1.251 -2.420 -9.830 205 HD3 ARG 28 1HD ARG 28 0.143 -1.240 -10.292 206 HE ARG 28 HE ARG 28 1.767 -0.081 -11.586 207 HH11 ARG 28 1HH1 ARG 28 3.054 -3.091 -10.258 208 HH12 ARG 28 2HH1 ARG 28 4.144 -3.343 -11.561 209 HH21 ARG 28 1HH2 ARG 28 3.345 -0.440 -13.348 210 HH22 ARG 28 2HH2 ARG 28 4.313 -1.836 -13.283 211 H LEU 29 H LEU 29 -0.566 0.723 -5.263 212 HA LEU 29 HA LEU 29 -1.366 -1.350 -3.372 213 HB2 LEU 29 2HB LEU 29 -1.999 1.590 -3.340 214 HB3 LEU 29 1HB LEU 29 -2.249 0.433 -2.047 215 HG LEU 29 HG LEU 29 0.406 1.421 -3.067 216 HD11 LEU 29 1HD1 LEU 29 -1.039 1.892 -0.489 217 HD12 LEU 29 2HD1 LEU 29 -0.677 3.086 -1.742 218 HD13 LEU 29 3HD1 LEU 29 0.628 2.335 -0.813 219 HD21 LEU 29 3HD2 LEU 29 1.363 0.202 -1.214 220 HD22 LEU 29 1HD2 LEU 29 0.617 -0.883 -2.398 221 HD23 LEU 29 2HD2 LEU 29 -0.213 -0.512 -0.866 222 H CYS 30 H CYS 30 -3.106 -2.429 -4.003 223 HA CYS 30 HA CYS 30 -5.237 -0.873 -5.211 224 HB2 CYS 30 2HB CYS 30 -6.070 -3.152 -6.182 225 HB3 CYS 30 1HB CYS 30 -4.631 -2.445 -6.922 226 H CYS 31 H CYS 31 -7.324 -1.198 -4.435 227 HA CYS 31 HA CYS 31 -7.278 -2.609 -1.898 228 HB2 CYS 31 2HB CYS 31 -6.647 -0.189 -1.652 229 HB3 CYS 31 1HB CYS 31 -8.259 0.217 -2.222 230 H ARG 32 H ARG 32 -9.363 -2.946 -1.016 231 HA ARG 32 HA ARG 32 -11.608 -2.784 -2.891 232 HB2 ARG 32 2HB ARG 32 -12.225 -5.098 -2.332 233 HB3 ARG 32 1HB ARG 32 -10.638 -5.017 -3.085 234 HG2 ARG 32 2HG ARG 32 -9.576 -5.244 -0.901 235 HG3 ARG 32 1HG ARG 32 -11.165 -5.310 -0.140 236 HD2 ARG 32 2HD ARG 32 -10.055 -7.279 -2.138 237 HD3 ARG 32 1HD ARG 32 -10.228 -7.532 -0.402 238 HE ARG 32 HE ARG 32 -12.719 -6.837 -1.367 239 HH11 ARG 32 1HH1 ARG 32 -10.431 -9.511 -1.699 240 HH12 ARG 32 2HH1 ARG 32 -11.606 -10.661 -2.141 241 HH21 ARG 32 1HH2 ARG 32 -14.328 -8.388 -1.976 242 HH22 ARG 32 2HH2 ARG 32 -13.901 -10.011 -2.308 243 H1 ALA 101 H ALA 101 -9.243 6.231 -5.669 244 HA ALA 101 HA ALA 101 -9.605 5.849 -2.873 245 HB1 ALA 101 1HB ALA 101 -10.075 3.579 -3.729 246 HB2 ALA 101 2HB ALA 101 -8.544 3.637 -2.851 247 HB3 ALA 101 3HB ALA 101 -8.541 3.603 -4.602 248 H THR 102 H THR 102 -7.897 6.941 -2.026 249 HA THR 102 HA THR 102 -5.426 6.854 -3.599 250 HB THR 102 HB THR 102 -6.298 9.002 -1.637 251 HG1 THR 102 1HG THR 102 -6.811 8.589 -4.252 252 HG21 THR 102 3HG2 THR 102 -3.856 8.731 -1.767 253 HG22 THR 102 1HG2 THR 102 -4.359 10.250 -2.506 254 HG23 THR 102 2HG2 THR 102 -3.929 8.875 -3.523 255 H CYS 103 H CYS 103 -4.087 5.504 -2.721 256 HA CYS 103 HA CYS 103 -4.069 5.200 0.208 257 HB2 CYS 103 2HB CYS 103 -3.261 3.138 -1.866 258 HB3 CYS 103 1HB CYS 103 -3.276 2.910 -0.133 259 H TYR 104 H TYR 104 -1.823 4.586 1.013 260 HA TYR 104 HA TYR 104 0.363 5.028 -0.693 261 HB2 TYR 104 2HB TYR 104 1.303 6.938 0.686 262 HB3 TYR 104 1HB TYR 104 -0.017 7.360 -0.390 263 HD1 TYR 104 1HD TYR 104 0.969 6.855 3.109 264 HD2 TYR 104 2HD TYR 104 -2.107 8.138 0.479 265 HE1 TYR 104 1HE TYR 104 -0.206 7.844 4.991 266 HE2 TYR 104 2HE TYR 104 -3.313 9.145 2.349 267 HH TYR 104 HH TYR 104 -3.455 8.909 4.734 268 H CYS 105 H CYS 105 2.344 4.541 0.299 269 HA CYS 105 HA CYS 105 1.938 2.540 2.341 270 HB2 CYS 105 2HB CYS 105 4.446 3.141 0.728 271 HB3 CYS 105 1HB CYS 105 4.030 1.689 1.649 272 H ARG 106 H ARG 106 2.199 3.190 4.392 273 HA ARG 106 HA ARG 106 4.148 5.309 5.016 274 HB2 ARG 106 2HB ARG 106 2.885 5.416 7.250 275 HB3 ARG 106 1HB ARG 106 2.054 6.040 5.834 276 HG2 ARG 106 2HG ARG 106 0.612 4.275 5.744 277 HG3 ARG 106 1HG ARG 106 1.628 3.223 6.745 278 HD2 ARG 106 2HD ARG 106 1.075 4.555 8.686 279 HD3 ARG 106 1HD ARG 106 0.208 5.716 7.682 280 HE ARG 106 HE ARG 106 -1.222 3.697 7.114 281 HH11 ARG 106 1HH1 ARG 106 0.272 4.051 10.316 282 HH12 ARG 106 2HH1 ARG 106 -1.046 3.463 11.178 283 HH21 ARG 106 1HH2 ARG 106 -3.119 2.859 8.368 284 HH22 ARG 106 2HH2 ARG 106 -2.984 2.779 10.064 285 H THR 107 H THR 107 5.610 5.039 6.759 286 HA THR 107 HA THR 107 6.380 2.280 7.153 287 HB THR 107 HB THR 107 8.391 3.299 8.232 288 HG1 THR 107 1HG THR 107 7.806 5.221 8.993 289 HG21 THR 107 3HG2 THR 107 7.704 4.409 5.507 290 HG22 THR 107 1HG2 THR 107 8.386 2.817 5.830 291 HG23 THR 107 2HG2 THR 107 9.331 4.269 6.177 292 H GLY 108 H GLY 108 4.394 4.440 8.688 293 HA2 GLY 108 2HA GLY 108 4.352 2.948 11.112 294 HA3 GLY 108 1HA GLY 108 5.005 4.573 11.295 295 H ARG 109 H ARG 109 3.702 6.321 10.936 296 HA ARG 109 HA ARG 109 0.912 5.578 11.060 297 HB2 ARG 109 2HB ARG 109 0.567 7.728 12.352 298 HB3 ARG 109 1HB ARG 109 1.558 6.509 13.154 299 HG2 ARG 109 2HG ARG 109 3.571 7.670 12.468 300 HG3 ARG 109 1HG ARG 109 2.605 8.882 11.631 301 HD2 ARG 109 2HD ARG 109 2.440 8.320 14.585 302 HD3 ARG 109 1HD ARG 109 3.463 9.568 13.884 303 HE ARG 109 HE ARG 109 0.911 10.033 12.955 304 HH11 ARG 109 1HH1 ARG 109 2.567 9.953 16.065 305 HH12 ARG 109 2HH1 ARG 109 1.549 11.101 16.811 306 HH21 ARG 109 1HH2 ARG 109 -0.443 11.670 13.939 307 HH22 ARG 109 2HH2 ARG 109 -0.195 12.116 15.552 308 H CYS 110 H CYS 110 -0.580 7.571 10.418 309 HA CYS 110 HA CYS 110 0.499 9.430 8.559 310 HB2 CYS 110 2HB CYS 110 -1.344 8.872 6.894 311 HB3 CYS 110 1HB CYS 110 -0.127 7.622 6.972 312 H ALA 111 H ALA 111 -1.448 10.997 7.984 313 HA ALA 111 HA ALA 111 -2.457 11.874 10.510 314 HB1 ALA 111 1HB ALA 111 -3.050 12.893 7.727 315 HB2 ALA 111 2HB ALA 111 -1.723 13.435 8.754 316 HB3 ALA 111 3HB ALA 111 -3.392 13.737 9.234 317 H THR 112 H THR 112 -3.441 9.332 9.488 318 HA THR 112 HA THR 112 -6.182 9.630 10.200 319 HB THR 112 HB THR 112 -6.334 9.953 7.752 320 HG1 THR 112 1HG THR 112 -7.272 7.571 8.865 321 HG21 THR 112 3HG2 THR 112 -5.644 8.157 6.182 322 HG22 THR 112 1HG2 THR 112 -4.938 7.281 7.539 323 HG23 THR 112 2HG2 THR 112 -4.263 8.830 7.065 324 H ARG 113 H ARG 113 -4.098 8.646 11.579 325 HA ARG 113 HA ARG 113 -3.428 5.928 11.243 326 HB2 ARG 113 2HB ARG 113 -2.261 7.583 12.717 327 HB3 ARG 113 1HB ARG 113 -3.578 7.408 13.864 328 HG2 ARG 113 2HG ARG 113 -3.079 5.015 14.054 329 HG3 ARG 113 1HG ARG 113 -1.740 5.227 12.923 330 HD2 ARG 113 2HD ARG 113 -0.796 6.860 14.392 331 HD3 ARG 113 1HD ARG 113 -2.069 6.537 15.586 332 HE ARG 113 HE ARG 113 -0.227 4.437 14.650 333 HH11 ARG 113 1HH1 ARG 113 -1.726 6.156 17.342 334 HH12 ARG 113 2HH1 ARG 113 -0.941 5.262 18.553 335 HH21 ARG 113 1HH2 ARG 113 0.882 3.219 16.296 336 HH22 ARG 113 2HH2 ARG 113 0.601 3.540 17.945 337 H GLU 114 H GLU 114 -4.203 4.074 12.406 338 HA GLU 114 HA GLU 114 -5.662 2.663 13.091 339 HB2 GLU 114 2HB GLU 114 -7.294 5.028 13.961 340 HB3 GLU 114 1HB GLU 114 -8.033 3.436 13.939 341 HG2 GLU 114 2HG GLU 114 -7.156 4.065 16.155 342 HG3 GLU 114 1HG GLU 114 -6.421 2.605 15.514 343 H SER 115 H SER 115 -6.342 4.819 10.623 344 HA SER 115 HA SER 115 -8.208 2.956 9.414 345 HB2 SER 115 2HB SER 115 -8.453 5.462 9.044 346 HB3 SER 115 1HB SER 115 -6.901 5.442 8.227 347 HG SER 115 HG SER 115 -8.693 5.375 6.826 348 H LEU 116 H LEU 116 -6.489 1.348 9.876 349 HA LEU 116 HA LEU 116 -4.415 1.302 7.806 350 HB2 LEU 116 2HB LEU 116 -3.815 0.943 10.260 351 HB3 LEU 116 1HB LEU 116 -4.788 -0.495 10.233 352 HG LEU 116 HG LEU 116 -2.125 -0.141 8.759 353 HD11 LEU 116 1HD1 LEU 116 -1.898 -0.196 11.143 354 HD12 LEU 116 2HD1 LEU 116 -1.310 -1.678 10.392 355 HD13 LEU 116 3HD1 LEU 116 -2.865 -1.668 11.216 356 HD21 LEU 116 3HD2 LEU 116 -3.774 -1.689 7.659 357 HD22 LEU 116 1HD2 LEU 116 -3.849 -2.591 9.165 358 HD23 LEU 116 2HD2 LEU 116 -2.329 -2.482 8.267 359 H SER 117 H SER 117 -4.727 0.162 6.107 360 HA SER 117 HA SER 117 -7.038 -1.635 6.082 361 HB2 SER 117 2HB SER 117 -7.126 -1.007 3.677 362 HB3 SER 117 1HB SER 117 -7.457 0.297 4.822 363 HG SER 117 HG SER 117 -6.024 0.791 3.083 364 H GLY 118 H GLY 118 -3.671 -1.583 5.800 365 HA2 GLY 118 2HA GLY 118 -3.549 -4.324 5.210 366 HA3 GLY 118 1HA GLY 118 -3.154 -3.390 3.771 367 H VAL 119 H VAL 119 -1.319 -5.062 4.978 368 HA VAL 119 HA VAL 119 0.694 -3.092 5.686 369 HB VAL 119 HB VAL 119 1.737 -4.813 7.263 370 HG11 VAL 119 1HG1 VAL 119 -0.838 -3.520 8.099 371 HG12 VAL 119 2HG1 VAL 119 0.759 -2.743 8.078 372 HG13 VAL 119 3HG1 VAL 119 0.433 -4.059 9.199 373 HG21 VAL 119 3HG2 VAL 119 0.181 -6.336 8.387 374 HG22 VAL 119 1HG2 VAL 119 0.364 -6.706 6.666 375 HG23 VAL 119 2HG2 VAL 119 -1.073 -5.851 7.241 376 H CYS 120 H CYS 120 2.637 -3.464 4.966 377 HA CYS 120 HA CYS 120 3.280 -6.046 3.896 378 HB2 CYS 120 2HB CYS 120 4.390 -4.846 1.914 379 HB3 CYS 120 1HB CYS 120 2.634 -5.052 1.819 380 H GLU 121 H GLU 121 5.047 -6.647 4.865 381 HA GLU 121 HA GLU 121 6.775 -4.542 5.877 382 HB2 GLU 121 2HB GLU 121 5.996 -6.284 7.472 383 HB3 GLU 121 1HB GLU 121 6.794 -7.506 6.512 384 HG2 GLU 121 2HG GLU 121 8.946 -6.304 6.886 385 HG3 GLU 121 1HG GLU 121 8.103 -5.218 7.965 386 H ILE 122 H ILE 122 8.251 -3.994 4.587 387 HA ILE 122 HA ILE 122 9.362 -5.942 2.682 388 HB ILE 122 HB ILE 122 9.081 -2.936 2.217 389 HG12 ILE 122 2HG1 ILE 122 7.325 -5.143 1.124 390 HG13 ILE 122 1HG1 ILE 122 6.876 -4.148 2.509 391 HG21 ILE 122 1HG2 ILE 122 10.844 -4.031 0.964 392 HG22 ILE 122 2HG2 ILE 122 9.512 -3.535 -0.083 393 HG23 ILE 122 3HG2 ILE 122 9.688 -5.227 0.383 394 HD11 ILE 122 3HD1 ILE 122 6.969 -2.200 1.153 395 HD12 ILE 122 1HD1 ILE 122 5.865 -3.391 0.454 396 HD13 ILE 122 2HD1 ILE 122 7.486 -3.172 -0.233 397 H SER 123 H SER 123 11.454 -6.143 2.783 398 HA SER 123 HA SER 123 13.556 -6.132 3.599 399 HB2 SER 123 2HB SER 123 14.766 -3.923 3.462 400 HB3 SER 123 1HB SER 123 13.874 -4.332 2.007 401 HG SER 123 HG SER 123 12.218 -2.972 3.493 402 H GLY 124 H GLY 124 11.530 -6.185 5.571 403 HA2 GLY 124 2HA GLY 124 11.691 -6.494 7.884 404 HA3 GLY 124 1HA GLY 124 13.173 -5.551 7.878 405 H ARG 125 H ARG 125 11.294 -3.620 6.216 406 HA ARG 125 HA ARG 125 10.583 -2.024 8.555 407 HB2 ARG 125 2HB ARG 125 11.990 -1.168 6.658 408 HB3 ARG 125 1HB ARG 125 10.598 -1.376 5.616 409 HG2 ARG 125 2HG ARG 125 9.362 0.258 6.938 410 HG3 ARG 125 1HG ARG 125 10.782 0.451 7.980 411 HD2 ARG 125 2HD ARG 125 10.627 1.026 5.029 412 HD3 ARG 125 1HD ARG 125 10.748 2.215 6.325 413 HE ARG 125 HE ARG 125 12.917 0.869 6.815 414 HH11 ARG 125 1HH1 ARG 125 11.665 1.752 3.588 415 HH12 ARG 125 2HH1 ARG 125 13.179 1.894 2.879 416 HH21 ARG 125 1HH2 ARG 125 15.044 1.051 5.798 417 HH22 ARG 125 2HH2 ARG 125 15.151 1.480 4.159 418 H LEU 126 H LEU 126 8.359 -1.489 8.933 419 HA LEU 126 HA LEU 126 6.554 -3.210 7.459 420 HB2 LEU 126 2HB LEU 126 6.720 -2.692 10.101 421 HB3 LEU 126 1HB LEU 126 5.579 -1.452 9.623 422 HG LEU 126 HG LEU 126 4.146 -3.113 10.227 423 HD11 LEU 126 1HD1 LEU 126 3.148 -4.171 8.416 424 HD12 LEU 126 2HD1 LEU 126 4.562 -3.867 7.416 425 HD13 LEU 126 3HD1 LEU 126 3.585 -2.495 8.017 426 HD21 LEU 126 3HD2 LEU 126 4.502 -5.506 9.861 427 HD22 LEU 126 1HD2 LEU 126 5.778 -4.763 10.823 428 HD23 LEU 126 2HD2 LEU 126 6.067 -5.129 9.132 429 H TYR 127 H TYR 127 5.477 -2.359 5.807 430 HA TYR 127 HA TYR 127 4.904 0.463 5.819 431 HB2 TYR 127 2HB TYR 127 5.207 -1.596 3.701 432 HB3 TYR 127 1HB TYR 127 4.303 -0.173 3.281 433 HD1 TYR 127 1HD TYR 127 5.498 2.071 3.536 434 HD2 TYR 127 2HD TYR 127 7.569 -1.644 3.721 435 HE1 TYR 127 1HE TYR 127 7.606 3.240 3.101 436 HE2 TYR 127 2HE TYR 127 9.695 -0.477 3.269 437 HH TYR 127 HH TYR 127 9.924 2.970 3.419 438 H ARG 128 H ARG 128 3.121 0.902 6.653 439 HA ARG 128 HA ARG 128 0.835 -0.920 6.619 440 HB2 ARG 128 2HB ARG 128 1.358 1.722 7.924 441 HB3 ARG 128 1HB ARG 128 -0.250 1.018 7.883 442 HG2 ARG 128 2HG ARG 128 0.415 -0.768 9.224 443 HG3 ARG 128 1HG ARG 128 2.120 -0.401 9.057 444 HD2 ARG 128 2HD ARG 128 1.644 1.808 10.184 445 HD3 ARG 128 1HD ARG 128 0.047 1.332 10.404 446 HE ARG 128 HE ARG 128 0.643 -0.319 11.974 447 HH11 ARG 128 1HH1 ARG 128 3.520 1.330 10.780 448 HH12 ARG 128 2HH1 ARG 128 4.415 1.096 12.228 449 HH21 ARG 128 1HH2 ARG 128 1.894 -0.612 13.955 450 HH22 ARG 128 2HH2 ARG 128 3.489 -0.006 14.030 451 H LEU 129 H LEU 129 -1.080 -0.335 5.665 452 HA LEU 129 HA LEU 129 -0.859 1.824 3.721 453 HB2 LEU 129 2HB LEU 129 -2.673 -0.585 3.685 454 HB3 LEU 129 1HB LEU 129 -2.500 0.621 2.423 455 HG LEU 129 HG LEU 129 -0.399 -1.367 3.280 456 HD11 LEU 129 1HD1 LEU 129 -2.145 -2.412 1.994 457 HD12 LEU 129 2HD1 LEU 129 -0.669 -2.249 1.022 458 HD13 LEU 129 3HD1 LEU 129 -2.017 -1.151 0.765 459 HD21 LEU 129 3HD2 LEU 129 0.877 -0.571 1.424 460 HD22 LEU 129 1HD2 LEU 129 0.627 0.727 2.602 461 HD23 LEU 129 2HD2 LEU 129 -0.336 0.667 1.094 462 H CYS 130 H CYS 130 -2.049 3.522 4.140 463 HA CYS 130 HA CYS 130 -4.632 3.085 5.364 464 HB2 CYS 130 2HB CYS 130 -4.394 5.490 6.368 465 HB3 CYS 130 1HB CYS 130 -3.428 4.223 7.123 466 H CYS 131 H CYS 131 -6.313 4.018 4.313 467 HA CYS 131 HA CYS 131 -5.438 5.345 1.861 468 HB2 CYS 131 2HB CYS 131 -5.847 2.815 1.676 469 HB3 CYS 131 1HB CYS 131 -7.527 3.210 1.932 470 H ARG 132 H ARG 132 -6.945 6.642 0.882 471 HA ARG 132 HA ARG 132 -9.289 7.296 2.467 472 HB2 ARG 132 2HB ARG 132 -9.037 9.636 1.627 473 HB3 ARG 132 1HB ARG 132 -7.689 9.116 2.623 474 HG2 ARG 132 2HG ARG 132 -6.425 8.651 0.512 475 HG3 ARG 132 1HG ARG 132 -7.776 9.388 -0.356 476 HD2 ARG 132 2HD ARG 132 -6.076 10.734 1.736 477 HD3 ARG 132 1HD ARG 132 -5.938 10.964 -0.003 478 HE ARG 132 HE ARG 132 -8.537 11.553 0.610 479 HH11 ARG 132 1HH1 ARG 132 -5.378 12.764 1.678 480 HH12 ARG 132 2HH1 ARG 132 -5.913 14.347 1.931 481 HH21 ARG 132 1HH2 ARG 132 -9.265 13.734 0.959 482 HH22 ARG 132 2HH2 ARG 132 -8.180 14.925 1.491 Start of MODEL 18 1 H1 ALA 1 1HT ALA 1 -12.337 -0.849 5.125 2 H2 ALA 1 2HT ALA 1 -10.996 -1.558 5.884 3 H3 ALA 1 3HT ALA 1 -12.059 -2.513 4.983 4 HA ALA 1 HA ALA 1 -11.418 -1.459 2.970 5 HB1 ALA 1 2HB ALA 1 -9.538 0.128 2.966 6 HB2 ALA 1 3HB ALA 1 -9.503 0.106 4.719 7 HB3 ALA 1 1HB ALA 1 -10.906 0.764 3.882 8 H THR 2 H THR 2 -10.378 -3.143 2.023 9 HA THR 2 HA THR 2 -8.076 -4.245 3.486 10 HB THR 2 HB THR 2 -9.740 -5.538 1.317 11 HG1 THR 2 1HG THR 2 -10.234 -5.161 3.948 12 HG21 THR 2 3HG2 THR 2 -7.694 -6.644 3.261 13 HG22 THR 2 1HG2 THR 2 -7.462 -6.426 1.527 14 HG23 THR 2 2HG2 THR 2 -8.630 -7.607 2.122 15 H CYS 3 H CYS 3 -6.280 -3.401 2.665 16 HA CYS 3 HA CYS 3 -6.126 -3.077 -0.251 17 HB2 CYS 3 2HB CYS 3 -4.684 -1.413 1.842 18 HB3 CYS 3 1HB CYS 3 -4.590 -1.205 0.111 19 H TYR 4 H TYR 4 -3.795 -3.371 -1.000 20 HA TYR 4 HA TYR 4 -2.061 -4.650 0.830 21 HB2 TYR 4 2HB TYR 4 -1.878 -6.772 -0.546 22 HB3 TYR 4 1HB TYR 4 -3.341 -6.609 0.409 23 HD1 TYR 4 1HD TYR 4 -1.952 -6.569 -2.994 24 HD2 TYR 4 2HD TYR 4 -5.477 -6.425 -0.628 25 HE1 TYR 4 1HE TYR 4 -3.289 -6.989 -4.988 26 HE2 TYR 4 2HE TYR 4 -6.844 -6.846 -2.597 27 HH TYR 4 HH TYR 4 -6.710 -6.620 -5.005 28 H CYS 5 H CYS 5 -0.012 -5.093 -0.044 29 HA CYS 5 HA CYS 5 0.662 -3.088 -2.034 30 HB2 CYS 5 2HB CYS 5 2.548 -4.717 -0.288 31 HB3 CYS 5 1HB CYS 5 2.829 -3.192 -1.141 32 H ARG 6 H ARG 6 0.585 -3.897 -4.056 33 HA ARG 6 HA ARG 6 1.408 -6.671 -4.552 34 HB2 ARG 6 2HB ARG 6 0.382 -6.250 -6.850 35 HB3 ARG 6 1HB ARG 6 -0.731 -6.322 -5.487 36 HG2 ARG 6 2HG ARG 6 -1.042 -4.036 -5.467 37 HG3 ARG 6 1HG ARG 6 0.354 -3.729 -6.513 38 HD2 ARG 6 2HD ARG 6 -0.832 -4.689 -8.376 39 HD3 ARG 6 1HD ARG 6 -2.151 -5.188 -7.324 40 HE ARG 6 HE ARG 6 -2.391 -2.725 -6.882 41 HH11 ARG 6 1HH1 ARG 6 -1.107 -3.807 -9.982 42 HH12 ARG 6 2HH1 ARG 6 -1.991 -2.731 -10.936 43 HH21 ARG 6 1HH2 ARG 6 -3.618 -1.137 -8.224 44 HH22 ARG 6 2HH2 ARG 6 -3.424 -1.190 -9.919 45 H THR 7 H THR 7 2.914 -7.190 -6.181 46 HA THR 7 HA THR 7 4.932 -5.152 -6.543 47 HB THR 7 HB THR 7 6.250 -7.113 -7.398 48 HG1 THR 7 1HG THR 7 5.321 -9.119 -7.306 49 HG21 THR 7 3HG2 THR 7 6.473 -8.179 -5.206 50 HG22 THR 7 1HG2 THR 7 4.947 -7.452 -4.698 51 HG23 THR 7 2HG2 THR 7 6.333 -6.420 -5.045 52 H GLY 8 H GLY 8 2.248 -5.791 -8.143 53 HA2 GLY 8 2HA GLY 8 3.090 -4.716 -10.595 54 HA3 GLY 8 1HA GLY 8 2.853 -6.452 -10.747 55 H ARG 9 H ARG 9 0.883 -7.174 -11.063 56 HA ARG 9 HA ARG 9 -1.244 -5.195 -10.960 57 HB2 ARG 9 2HB ARG 9 -2.521 -6.774 -12.393 58 HB3 ARG 9 1HB ARG 9 -1.013 -6.231 -13.124 59 HG2 ARG 9 2HG ARG 9 0.055 -8.293 -12.554 60 HG3 ARG 9 1HG ARG 9 -1.370 -8.832 -11.670 61 HD2 ARG 9 2HD ARG 9 -2.640 -8.888 -13.755 62 HD3 ARG 9 1HD ARG 9 -1.239 -8.277 -14.634 63 HE ARG 9 HE ARG 9 -0.088 -10.318 -13.767 64 HH11 ARG 9 1HH1 ARG 9 -3.573 -10.370 -14.455 65 HH12 ARG 9 2HH1 ARG 9 -3.603 -12.028 -14.838 66 HH21 ARG 9 1HH2 ARG 9 -0.145 -12.563 -14.243 67 HH22 ARG 9 2HH2 ARG 9 -1.597 -13.324 -14.692 68 H CYS 10 H CYS 10 -3.465 -6.069 -10.364 69 HA CYS 10 HA CYS 10 -3.472 -8.386 -8.632 70 HB2 CYS 10 2HB CYS 10 -5.071 -7.153 -7.088 71 HB3 CYS 10 1HB CYS 10 -3.443 -6.560 -6.955 72 H ALA 11 H ALA 11 -5.928 -9.028 -8.268 73 HA ALA 11 HA ALA 11 -6.921 -9.224 -10.925 74 HB1 ALA 11 1HB ALA 11 -8.221 -10.223 -8.403 75 HB2 ALA 11 2HB ALA 11 -7.031 -11.119 -9.344 76 HB3 ALA 11 3HB ALA 11 -8.598 -10.721 -10.051 77 H THR 12 H THR 12 -7.150 -6.969 -11.190 78 HA THR 12 HA THR 12 -9.745 -6.212 -11.513 79 HB THR 12 HB THR 12 -10.073 -5.859 -9.166 80 HG1 THR 12 1HG THR 12 -10.808 -4.121 -10.588 81 HG21 THR 12 3HG2 THR 12 -8.670 -4.393 -7.760 82 HG22 THR 12 1HG2 THR 12 -7.574 -4.149 -9.119 83 HG23 THR 12 2HG2 THR 12 -7.742 -5.749 -8.406 84 H ARG 13 H ARG 13 -6.675 -4.581 -10.641 85 HA ARG 13 HA ARG 13 -5.537 -2.903 -11.494 86 HB2 ARG 13 2HB ARG 13 -6.585 -3.856 -14.174 87 HB3 ARG 13 1HB ARG 13 -5.444 -2.532 -14.028 88 HG2 ARG 13 2HG ARG 13 -4.101 -4.358 -14.550 89 HG3 ARG 13 1HG ARG 13 -3.960 -4.250 -12.802 90 HD2 ARG 13 2HD ARG 13 -4.247 -6.541 -13.438 91 HD3 ARG 13 1HD ARG 13 -5.700 -5.991 -12.596 92 HE ARG 13 HE ARG 13 -6.007 -5.595 -15.350 93 HH11 ARG 13 1HH1 ARG 13 -5.826 -8.336 -13.085 94 HH12 ARG 13 2HH1 ARG 13 -6.870 -9.296 -14.025 95 HH21 ARG 13 1HH2 ARG 13 -7.353 -6.990 -16.636 96 HH22 ARG 13 2HH2 ARG 13 -7.709 -8.553 -16.074 97 H GLU 14 H GLU 14 -5.762 -0.793 -13.095 98 HA GLU 14 HA GLU 14 -6.696 1.228 -13.344 99 HB2 GLU 14 2HB GLU 14 -9.327 -0.254 -13.126 100 HB3 GLU 14 1HB GLU 14 -9.225 1.462 -13.411 101 HG2 GLU 14 2HG GLU 14 -9.657 0.283 -15.488 102 HG3 GLU 14 1HG GLU 14 -8.089 1.070 -15.539 103 H SER 15 H SER 15 -7.801 -0.601 -10.637 104 HA SER 15 HA SER 15 -8.564 1.637 -9.031 105 HB2 SER 15 2HB SER 15 -8.866 -0.233 -7.368 106 HB3 SER 15 1HB SER 15 -9.802 -0.385 -8.858 107 HG SER 15 HG SER 15 -8.888 -2.255 -9.014 108 H LEU 16 H LEU 16 -5.780 1.557 -9.992 109 HA LEU 16 HA LEU 16 -4.164 0.868 -7.708 110 HB2 LEU 16 2HB LEU 16 -3.349 0.745 -10.115 111 HB3 LEU 16 1HB LEU 16 -3.467 2.478 -10.194 112 HG LEU 16 HG LEU 16 -1.425 0.947 -8.509 113 HD11 LEU 16 1HD1 LEU 16 0.128 1.727 -10.149 114 HD12 LEU 16 2HD1 LEU 16 -1.176 2.468 -11.068 115 HD13 LEU 16 3HD1 LEU 16 -1.113 0.714 -10.889 116 HD21 LEU 16 3HD2 LEU 16 -2.116 3.185 -7.626 117 HD22 LEU 16 1HD2 LEU 16 -1.648 3.882 -9.171 118 HD23 LEU 16 2HD2 LEU 16 -0.443 3.086 -8.142 119 H SER 17 H SER 17 -4.035 2.057 -6.059 120 HA SER 17 HA SER 17 -5.096 4.790 -6.177 121 HB2 SER 17 2HB SER 17 -5.656 4.369 -3.787 122 HB3 SER 17 1HB SER 17 -6.481 3.322 -4.946 123 HG SER 17 HG SER 17 -5.464 2.382 -2.993 124 H GLY 18 H GLY 18 -2.242 3.102 -5.782 125 HA2 GLY 18 2HA GLY 18 -0.818 5.411 -5.106 126 HA3 GLY 18 1HA GLY 18 -1.001 4.387 -3.684 127 H VAL 19 H VAL 19 1.453 4.985 -4.743 128 HA VAL 19 HA VAL 19 2.358 2.315 -5.388 129 HB VAL 19 HB VAL 19 4.129 3.292 -6.952 130 HG11 VAL 19 1HG1 VAL 19 1.300 3.443 -7.900 131 HG12 VAL 19 2HG1 VAL 19 2.260 1.951 -7.778 132 HG13 VAL 19 3HG1 VAL 19 2.718 3.210 -8.921 133 HG21 VAL 19 3HG2 VAL 19 2.177 5.560 -7.029 134 HG22 VAL 19 1HG2 VAL 19 3.544 5.351 -8.128 135 HG23 VAL 19 2HG2 VAL 19 3.826 5.622 -6.399 136 H CYS 20 H CYS 20 4.270 1.816 -4.613 137 HA CYS 20 HA CYS 20 5.978 3.850 -3.477 138 HB2 CYS 20 2HB CYS 20 6.260 2.285 -1.448 139 HB3 CYS 20 1HB CYS 20 4.808 3.315 -1.453 140 H GLU 21 H GLU 21 7.985 3.467 -4.195 141 HA GLU 21 HA GLU 21 8.481 0.761 -5.127 142 HB2 GLU 21 2HB GLU 21 8.891 2.608 -6.737 143 HB3 GLU 21 1HB GLU 21 10.071 3.280 -5.638 144 HG2 GLU 21 2HG GLU 21 11.420 1.256 -5.821 145 HG3 GLU 21 1HG GLU 21 10.258 0.573 -6.935 146 H ILE 22 H ILE 22 9.391 -0.502 -3.800 147 HA ILE 22 HA ILE 22 11.143 0.597 -1.700 148 HB ILE 22 HB ILE 22 9.231 -1.754 -1.362 149 HG12 ILE 22 2HG1 ILE 22 8.852 1.086 -0.379 150 HG13 ILE 22 1HG1 ILE 22 8.073 0.444 -1.819 151 HG21 ILE 22 1HG2 ILE 22 9.693 -1.426 0.985 152 HG22 ILE 22 2HG2 ILE 22 10.776 -0.090 0.595 153 HG23 ILE 22 3HG2 ILE 22 11.184 -1.729 0.092 154 HD11 ILE 22 3HD1 ILE 22 6.948 -1.205 -0.492 155 HD12 ILE 22 1HD1 ILE 22 6.613 0.424 0.102 156 HD13 ILE 22 2HD1 ILE 22 7.766 -0.613 0.959 157 H SER 23 H SER 23 12.992 -0.506 -1.428 158 HA SER 23 HA SER 23 14.815 -1.700 -2.007 159 HB2 SER 23 2HB SER 23 14.541 -4.206 -1.961 160 HB3 SER 23 1HB SER 23 13.747 -3.403 -0.613 161 HG SER 23 HG SER 23 11.917 -3.518 -2.405 162 H GLY 24 H GLY 24 13.487 -0.420 -4.182 163 HA2 GLY 24 2HA GLY 24 13.953 -0.207 -6.435 164 HA3 GLY 24 1HA GLY 24 14.835 -1.721 -6.367 165 H ARG 25 H ARG 25 11.825 -2.287 -5.059 166 HA ARG 25 HA ARG 25 10.821 -3.343 -7.596 167 HB2 ARG 25 2HB ARG 25 11.362 -4.920 -5.733 168 HB3 ARG 25 1HB ARG 25 10.191 -4.080 -4.732 169 HG2 ARG 25 2HG ARG 25 8.415 -4.732 -6.264 170 HG3 ARG 25 1HG ARG 25 9.635 -5.534 -7.266 171 HD2 ARG 25 2HD ARG 25 8.963 -6.234 -4.404 172 HD3 ARG 25 1HD ARG 25 8.478 -7.152 -5.829 173 HE ARG 25 HE ARG 25 11.203 -6.965 -5.978 174 HH11 ARG 25 1HH1 ARG 25 8.874 -8.390 -3.690 175 HH12 ARG 25 2HH1 ARG 25 10.015 -9.492 -3.088 176 HH21 ARG 25 1HH2 ARG 25 12.701 -8.542 -5.104 177 HH22 ARG 25 2HH2 ARG 25 12.170 -9.595 -3.868 178 H LEU 26 H LEU 26 8.617 -2.769 -8.170 179 HA LEU 26 HA LEU 26 7.754 -0.396 -6.749 180 HB2 LEU 26 2HB LEU 26 7.803 -0.983 -9.429 181 HB3 LEU 26 1HB LEU 26 6.138 -1.337 -9.004 182 HG LEU 26 HG LEU 26 6.008 0.828 -9.709 183 HD11 LEU 26 1HD1 LEU 26 5.567 2.262 -7.900 184 HD12 LEU 26 2HD1 LEU 26 6.431 1.183 -6.818 185 HD13 LEU 26 3HD1 LEU 26 4.934 0.626 -7.619 186 HD21 LEU 26 3HD2 LEU 26 8.343 1.284 -10.034 187 HD22 LEU 26 1HD2 LEU 26 8.587 1.407 -8.291 188 HD23 LEU 26 2HD2 LEU 26 7.600 2.604 -9.132 189 H TYR 27 H TYR 27 6.195 -0.496 -5.337 190 HA TYR 27 HA TYR 27 4.375 -2.738 -5.341 191 HB2 TYR 27 2HB TYR 27 5.424 -0.900 -3.262 192 HB3 TYR 27 1HB TYR 27 3.990 -1.800 -2.885 193 HD1 TYR 27 1HD TYR 27 4.152 -4.324 -2.922 194 HD2 TYR 27 2HD TYR 27 7.575 -1.825 -3.224 195 HE1 TYR 27 1HE TYR 27 5.579 -6.220 -2.316 196 HE2 TYR 27 2HE TYR 27 9.015 -3.722 -2.604 197 HH TYR 27 HH TYR 27 7.777 -6.918 -2.522 198 H ARG 28 H ARG 28 2.532 -2.365 -6.085 199 HA ARG 28 HA ARG 28 1.451 0.361 -6.262 200 HB2 ARG 28 2HB ARG 28 0.772 -2.206 -7.621 201 HB3 ARG 28 1HB ARG 28 -0.322 -0.834 -7.668 202 HG2 ARG 28 2HG ARG 28 1.220 0.463 -8.839 203 HG3 ARG 28 1HG ARG 28 2.527 -0.673 -8.587 204 HD2 ARG 28 2HD ARG 28 1.185 -2.343 -9.916 205 HD3 ARG 28 1HD ARG 28 0.023 -1.108 -10.192 206 HE ARG 28 HE ARG 28 1.484 0.068 -11.583 207 HH11 ARG 28 1HH1 ARG 28 3.081 -2.786 -10.294 208 HH12 ARG 28 2HH1 ARG 28 4.182 -2.945 -11.596 209 HH21 ARG 28 1HH2 ARG 28 2.992 -0.117 -13.344 210 HH22 ARG 28 2HH2 ARG 28 4.136 -1.378 -13.374 211 H LEU 29 H LEU 29 -0.603 0.744 -5.514 212 HA LEU 29 HA LEU 29 -1.520 -1.214 -3.563 213 HB2 LEU 29 2HB LEU 29 -1.948 1.767 -3.594 214 HB3 LEU 29 1HB LEU 29 -2.415 0.650 -2.317 215 HG LEU 29 HG LEU 29 0.402 1.387 -3.114 216 HD11 LEU 29 1HD1 LEU 29 -0.682 3.145 -1.893 217 HD12 LEU 29 2HD1 LEU 29 0.527 2.328 -0.875 218 HD13 LEU 29 3HD1 LEU 29 -1.184 1.998 -0.648 219 HD21 LEU 29 3HD2 LEU 29 0.327 -0.915 -2.405 220 HD22 LEU 29 1HD2 LEU 29 -0.558 -0.424 -0.935 221 HD23 LEU 29 2HD2 LEU 29 1.103 0.137 -1.211 222 H CYS 30 H CYS 30 -3.384 -2.117 -4.015 223 HA CYS 30 HA CYS 30 -5.435 -0.524 -5.277 224 HB2 CYS 30 2HB CYS 30 -6.256 -2.691 -6.471 225 HB3 CYS 30 1HB CYS 30 -4.756 -2.015 -7.110 226 H CYS 31 H CYS 31 -7.476 -0.953 -4.410 227 HA CYS 31 HA CYS 31 -7.217 -2.543 -1.972 228 HB2 CYS 31 2HB CYS 31 -6.909 -0.026 -1.697 229 HB3 CYS 31 1HB CYS 31 -8.626 0.108 -2.059 230 H ARG 32 H ARG 32 -9.125 -3.385 -1.134 231 HA ARG 32 HA ARG 32 -11.392 -3.495 -3.004 232 HB2 ARG 32 2HB ARG 32 -11.514 -5.913 -2.652 233 HB3 ARG 32 1HB ARG 32 -9.944 -5.467 -3.304 234 HG2 ARG 32 2HG ARG 32 -9.035 -5.573 -0.985 235 HG3 ARG 32 1HG ARG 32 -10.602 -6.192 -0.469 236 HD2 ARG 32 2HD ARG 32 -8.732 -7.469 -2.455 237 HD3 ARG 32 1HD ARG 32 -9.047 -7.985 -0.797 238 HE ARG 32 HE ARG 32 -11.446 -7.886 -2.295 239 HH11 ARG 32 1HH1 ARG 32 -8.536 -9.894 -1.896 240 HH12 ARG 32 2HH1 ARG 32 -9.283 -11.313 -2.448 241 HH21 ARG 32 1HH2 ARG 32 -12.440 -9.835 -3.061 242 HH22 ARG 32 2HH2 ARG 32 -11.561 -11.293 -3.117 243 H1 ALA 101 H ALA 101 -9.141 6.028 -6.155 244 HA ALA 101 HA ALA 101 -9.752 6.132 -3.332 245 HB1 ALA 101 1HB ALA 101 -10.106 3.792 -3.984 246 HB2 ALA 101 2HB ALA 101 -8.669 3.962 -2.975 247 HB3 ALA 101 3HB ALA 101 -8.503 3.753 -4.717 248 H THR 102 H THR 102 -7.964 6.726 -2.124 249 HA THR 102 HA THR 102 -5.402 6.878 -3.509 250 HB THR 102 HB THR 102 -6.566 9.035 -1.726 251 HG1 THR 102 1HG THR 102 -5.839 9.167 -4.447 252 HG21 THR 102 3HG2 THR 102 -3.945 8.931 -3.245 253 HG22 THR 102 1HG2 THR 102 -4.121 8.805 -1.495 254 HG23 THR 102 2HG2 THR 102 -4.543 10.306 -2.318 255 H CYS 103 H CYS 103 -4.078 5.606 -2.488 256 HA CYS 103 HA CYS 103 -4.245 5.418 0.441 257 HB2 CYS 103 2HB CYS 103 -3.571 3.089 -1.382 258 HB3 CYS 103 1HB CYS 103 -3.929 3.040 0.329 259 H TYR 104 H TYR 104 -1.990 4.612 1.267 260 HA TYR 104 HA TYR 104 0.104 4.645 -0.582 261 HB2 TYR 104 2HB TYR 104 1.394 6.578 0.404 262 HB3 TYR 104 1HB TYR 104 0.009 7.019 -0.571 263 HD1 TYR 104 1HD TYR 104 1.291 6.749 2.869 264 HD2 TYR 104 2HD TYR 104 -1.740 8.292 0.325 265 HE1 TYR 104 1HE TYR 104 0.540 8.171 4.671 266 HE2 TYR 104 2HE TYR 104 -2.531 9.754 2.128 267 HH TYR 104 HH TYR 104 -2.445 9.783 4.531 268 H CYS 105 H CYS 105 2.164 4.233 0.269 269 HA CYS 105 HA CYS 105 1.885 2.280 2.362 270 HB2 CYS 105 2HB CYS 105 4.360 2.910 0.724 271 HB3 CYS 105 1HB CYS 105 3.913 1.431 1.578 272 H ARG 106 H ARG 106 1.999 3.210 4.349 273 HA ARG 106 HA ARG 106 4.091 5.206 4.913 274 HB2 ARG 106 2HB ARG 106 2.808 5.472 7.130 275 HB3 ARG 106 1HB ARG 106 2.051 6.098 5.673 276 HG2 ARG 106 2HG ARG 106 0.501 4.508 5.598 277 HG3 ARG 106 1HG ARG 106 1.411 3.323 6.556 278 HD2 ARG 106 2HD ARG 106 0.971 4.687 8.535 279 HD3 ARG 106 1HD ARG 106 0.124 5.874 7.545 280 HE ARG 106 HE ARG 106 -1.335 3.893 6.966 281 HH11 ARG 106 1HH1 ARG 106 0.204 4.093 10.166 282 HH12 ARG 106 2HH1 ARG 106 -1.143 3.584 11.029 283 HH21 ARG 106 1HH2 ARG 106 -3.251 3.139 8.198 284 HH22 ARG 106 2HH2 ARG 106 -3.139 3.052 9.887 285 H THR 107 H THR 107 5.640 4.883 6.490 286 HA THR 107 HA THR 107 6.098 2.122 7.212 287 HB THR 107 HB THR 107 8.311 2.991 7.928 288 HG1 THR 107 1HG THR 107 8.213 5.047 8.439 289 HG21 THR 107 3HG2 THR 107 9.067 3.653 5.682 290 HG22 THR 107 1HG2 THR 107 7.391 3.896 5.207 291 HG23 THR 107 2HG2 THR 107 7.963 2.279 5.616 292 H GLY 108 H GLY 108 4.263 4.354 8.505 293 HA2 GLY 108 2HA GLY 108 4.411 3.367 11.163 294 HA3 GLY 108 1HA GLY 108 4.950 5.049 11.024 295 H ARG 109 H ARG 109 3.415 6.497 11.263 296 HA ARG 109 HA ARG 109 0.684 5.638 10.730 297 HB2 ARG 109 2HB ARG 109 -0.054 7.548 12.067 298 HB3 ARG 109 1HB ARG 109 1.105 6.596 12.980 299 HG2 ARG 109 2HG ARG 109 2.852 8.182 12.478 300 HG3 ARG 109 1HG ARG 109 1.738 9.108 11.472 301 HD2 ARG 109 2HD ARG 109 0.344 9.519 13.453 302 HD3 ARG 109 1HD ARG 109 1.516 8.658 14.449 303 HE ARG 109 HE ARG 109 2.889 10.609 13.071 304 HH11 ARG 109 1HH1 ARG 109 0.350 10.461 15.503 305 HH12 ARG 109 2HH1 ARG 109 0.712 11.949 16.240 306 HH21 ARG 109 1HH2 ARG 109 3.418 12.707 14.040 307 HH22 ARG 109 2HH2 ARG 109 2.518 13.253 15.367 308 H CYS 110 H CYS 110 -0.689 7.747 9.940 309 HA CYS 110 HA CYS 110 0.960 9.322 8.160 310 HB2 CYS 110 2HB CYS 110 -0.890 9.131 6.392 311 HB3 CYS 110 1HB CYS 110 0.026 7.661 6.627 312 H ALA 111 H ALA 111 0.049 11.424 7.650 313 HA ALA 111 HA ALA 111 -1.262 12.456 9.962 314 HB1 ALA 111 1HB ALA 111 -0.961 14.657 8.970 315 HB2 ALA 111 2HB ALA 111 -0.530 13.925 7.426 316 HB3 ALA 111 3HB ALA 111 0.531 13.724 8.818 317 H THR 112 H THR 112 -3.110 11.319 9.874 318 HA THR 112 HA THR 112 -5.436 12.498 9.366 319 HB THR 112 HB THR 112 -5.035 12.416 6.896 320 HG1 THR 112 1HG THR 112 -7.179 11.753 8.041 321 HG21 THR 112 3HG2 THR 112 -4.940 9.403 7.225 322 HG22 THR 112 1HG2 THR 112 -3.578 10.436 6.794 323 HG23 THR 112 2HG2 THR 112 -4.941 10.270 5.688 324 H ARG 113 H ARG 113 -3.521 9.631 9.284 325 HA ARG 113 HA ARG 113 -3.535 7.610 10.226 326 HB2 ARG 113 2HB ARG 113 -4.091 9.002 12.282 327 HB3 ARG 113 1HB ARG 113 -5.773 8.593 12.024 328 HG2 ARG 113 2HG ARG 113 -5.076 7.025 13.626 329 HG3 ARG 113 1HG ARG 113 -4.956 6.176 12.075 330 HD2 ARG 113 2HD ARG 113 -2.589 6.556 11.977 331 HD3 ARG 113 1HD ARG 113 -2.646 7.514 13.457 332 HE ARG 113 HE ARG 113 -3.461 4.698 13.446 333 HH11 ARG 113 1HH1 ARG 113 -1.389 7.260 14.814 334 HH12 ARG 113 2HH1 ARG 113 -0.671 6.241 15.959 335 HH21 ARG 113 1HH2 ARG 113 -2.473 3.331 15.024 336 HH22 ARG 113 2HH2 ARG 113 -1.306 3.926 16.103 337 H GLU 114 H GLU 114 -6.925 8.399 10.625 338 HA GLU 114 HA GLU 114 -8.840 7.451 10.090 339 HB2 GLU 114 2HB GLU 114 -8.397 8.586 8.001 340 HB3 GLU 114 1HB GLU 114 -7.484 7.210 7.408 341 HG2 GLU 114 2HG GLU 114 -9.706 7.311 6.390 342 HG3 GLU 114 1HG GLU 114 -9.504 5.861 7.364 343 H SER 115 H SER 115 -7.022 5.262 8.000 344 HA SER 115 HA SER 115 -7.898 3.078 9.679 345 HB2 SER 115 2HB SER 115 -9.820 3.545 8.241 346 HB3 SER 115 1HB SER 115 -8.801 3.371 6.815 347 HG SER 115 HG SER 115 -10.044 1.534 7.357 348 H LEU 116 H LEU 116 -6.418 1.587 9.757 349 HA LEU 116 HA LEU 116 -4.389 1.426 7.693 350 HB2 LEU 116 2HB LEU 116 -3.804 1.196 10.177 351 HB3 LEU 116 1HB LEU 116 -4.788 -0.235 10.225 352 HG LEU 116 HG LEU 116 -2.160 -0.010 8.675 353 HD11 LEU 116 1HD1 LEU 116 -1.834 0.135 11.030 354 HD12 LEU 116 2HD1 LEU 116 -1.317 -1.438 10.411 355 HD13 LEU 116 3HD1 LEU 116 -2.850 -1.284 11.275 356 HD21 LEU 116 3HD2 LEU 116 -3.837 -1.646 7.779 357 HD22 LEU 116 1HD2 LEU 116 -3.859 -2.407 9.364 358 HD23 LEU 116 2HD2 LEU 116 -2.371 -2.380 8.409 359 H SER 117 H SER 117 -4.761 0.276 6.024 360 HA SER 117 HA SER 117 -7.062 -1.516 6.101 361 HB2 SER 117 2HB SER 117 -7.116 -1.031 3.641 362 HB3 SER 117 1HB SER 117 -7.453 0.326 4.719 363 HG SER 117 HG SER 117 -5.870 0.461 2.860 364 H GLY 118 H GLY 118 -3.711 -1.539 5.805 365 HA2 GLY 118 2HA GLY 118 -3.635 -4.308 5.465 366 HA3 GLY 118 1HA GLY 118 -3.240 -3.514 3.944 367 H VAL 119 H VAL 119 -1.441 -5.064 5.286 368 HA VAL 119 HA VAL 119 0.592 -3.057 5.769 369 HB VAL 119 HB VAL 119 1.703 -4.591 7.460 370 HG11 VAL 119 1HG1 VAL 119 -0.909 -3.407 8.288 371 HG12 VAL 119 2HG1 VAL 119 0.630 -2.526 8.134 372 HG13 VAL 119 3HG1 VAL 119 0.446 -3.771 9.362 373 HG21 VAL 119 3HG2 VAL 119 0.264 -6.109 8.732 374 HG22 VAL 119 1HG2 VAL 119 0.418 -6.601 7.041 375 HG23 VAL 119 2HG2 VAL 119 -1.049 -5.788 7.599 376 H CYS 120 H CYS 120 2.586 -3.608 5.214 377 HA CYS 120 HA CYS 120 3.108 -6.228 4.175 378 HB2 CYS 120 2HB CYS 120 4.158 -5.143 2.105 379 HB3 CYS 120 1HB CYS 120 2.388 -5.277 2.079 380 H GLU 121 H GLU 121 4.987 -6.828 4.988 381 HA GLU 121 HA GLU 121 6.746 -4.676 5.762 382 HB2 GLU 121 2HB GLU 121 6.205 -6.196 7.569 383 HB3 GLU 121 1HB GLU 121 6.678 -7.566 6.611 384 HG2 GLU 121 2HG GLU 121 8.710 -5.461 7.195 385 HG3 GLU 121 1HG GLU 121 8.293 -6.585 8.469 386 H ILE 122 H ILE 122 8.340 -4.230 4.707 387 HA ILE 122 HA ILE 122 9.352 -6.075 2.666 388 HB ILE 122 HB ILE 122 8.731 -3.143 2.095 389 HG12 ILE 122 2HG1 ILE 122 7.060 -5.558 1.273 390 HG13 ILE 122 1HG1 ILE 122 6.633 -4.431 2.551 391 HG21 ILE 122 1HG2 ILE 122 10.490 -4.171 0.762 392 HG22 ILE 122 2HG2 ILE 122 9.055 -3.824 -0.210 393 HG23 ILE 122 3HG2 ILE 122 9.382 -5.472 0.319 394 HD11 ILE 122 3HD1 ILE 122 7.014 -3.726 -0.324 395 HD12 ILE 122 1HD1 ILE 122 6.509 -2.643 0.970 396 HD13 ILE 122 2HD1 ILE 122 5.462 -3.982 0.484 397 H SER 123 H SER 123 11.500 -5.900 2.511 398 HA SER 123 HA SER 123 13.639 -5.498 3.098 399 HB2 SER 123 2HB SER 123 14.385 -3.107 2.915 400 HB3 SER 123 1HB SER 123 13.383 -3.622 1.563 401 HG SER 123 HG SER 123 11.766 -2.663 3.393 402 H GLY 124 H GLY 124 11.786 -5.921 5.354 403 HA2 GLY 124 2HA GLY 124 12.153 -6.106 7.607 404 HA3 GLY 124 1HA GLY 124 13.637 -5.188 7.406 405 H ARG 125 H ARG 125 10.982 -3.622 6.031 406 HA ARG 125 HA ARG 125 10.650 -1.953 8.398 407 HB2 ARG 125 2HB ARG 125 11.983 -0.936 6.567 408 HB3 ARG 125 1HB ARG 125 10.655 -1.224 5.463 409 HG2 ARG 125 2HG ARG 125 9.270 0.332 6.671 410 HG3 ARG 125 1HG ARG 125 10.556 0.487 7.883 411 HD2 ARG 125 2HD ARG 125 10.815 1.257 4.969 412 HD3 ARG 125 1HD ARG 125 10.557 2.386 6.300 413 HE ARG 125 HE ARG 125 12.757 1.020 7.048 414 HH11 ARG 125 1HH1 ARG 125 11.979 2.954 4.164 415 HH12 ARG 125 2HH1 ARG 125 13.611 3.308 3.827 416 HH21 ARG 125 1HH2 ARG 125 14.950 1.566 6.571 417 HH22 ARG 125 2HH2 ARG 125 15.317 2.525 5.206 418 H LEU 126 H LEU 126 8.424 -1.404 8.847 419 HA LEU 126 HA LEU 126 6.597 -3.190 7.470 420 HB2 LEU 126 2HB LEU 126 6.846 -2.571 10.128 421 HB3 LEU 126 1HB LEU 126 5.578 -1.471 9.622 422 HG LEU 126 HG LEU 126 4.390 -3.278 10.394 423 HD11 LEU 126 1HD1 LEU 126 4.556 -3.801 7.500 424 HD12 LEU 126 2HD1 LEU 126 3.521 -2.630 8.338 425 HD13 LEU 126 3HD1 LEU 126 3.313 -4.370 8.618 426 HD21 LEU 126 3HD2 LEU 126 4.916 -5.655 9.823 427 HD22 LEU 126 1HD2 LEU 126 6.154 -4.837 10.791 428 HD23 LEU 126 2HD2 LEU 126 6.407 -5.047 9.078 429 H TYR 127 H TYR 127 5.303 -2.453 5.984 430 HA TYR 127 HA TYR 127 4.791 0.390 5.786 431 HB2 TYR 127 2HB TYR 127 4.943 -1.844 3.840 432 HB3 TYR 127 1HB TYR 127 4.127 -0.413 3.318 433 HD1 TYR 127 1HD TYR 127 5.471 1.733 3.224 434 HD2 TYR 127 2HD TYR 127 7.292 -2.040 3.959 435 HE1 TYR 127 1HE TYR 127 7.655 2.682 2.632 436 HE2 TYR 127 2HE TYR 127 9.489 -1.095 3.358 437 HH TYR 127 HH TYR 127 9.958 2.298 2.969 438 H ARG 128 H ARG 128 2.980 0.937 6.560 439 HA ARG 128 HA ARG 128 0.680 -0.873 6.626 440 HB2 ARG 128 2HB ARG 128 1.208 1.804 7.889 441 HB3 ARG 128 1HB ARG 128 -0.366 1.035 7.909 442 HG2 ARG 128 2HG ARG 128 0.399 -0.696 9.243 443 HG3 ARG 128 1HG ARG 128 2.085 -0.275 9.007 444 HD2 ARG 128 2HD ARG 128 1.573 1.924 10.108 445 HD3 ARG 128 1HD ARG 128 -0.015 1.347 10.419 446 HE ARG 128 HE ARG 128 0.763 -0.162 11.991 447 HH11 ARG 128 1HH1 ARG 128 3.477 1.519 10.487 448 HH12 ARG 128 2HH1 ARG 128 4.535 1.253 11.805 449 HH21 ARG 128 1HH2 ARG 128 2.237 -0.543 13.758 450 HH22 ARG 128 2HH2 ARG 128 3.840 0.025 13.651 451 H LEU 129 H LEU 129 -1.149 -0.323 5.603 452 HA LEU 129 HA LEU 129 -0.866 1.801 3.632 453 HB2 LEU 129 2HB LEU 129 -2.757 -0.550 3.660 454 HB3 LEU 129 1HB LEU 129 -2.485 0.577 2.337 455 HG LEU 129 HG LEU 129 -0.499 -1.421 3.403 456 HD11 LEU 129 1HD1 LEU 129 -2.178 -2.528 2.134 457 HD12 LEU 129 2HD1 LEU 129 -0.686 -2.421 1.174 458 HD13 LEU 129 3HD1 LEU 129 -2.033 -1.340 0.835 459 HD21 LEU 129 3HD2 LEU 129 0.895 -0.790 1.569 460 HD22 LEU 129 1HD2 LEU 129 0.633 0.572 2.663 461 HD23 LEU 129 2HD2 LEU 129 -0.245 0.482 1.106 462 H CYS 130 H CYS 130 -1.940 3.591 4.141 463 HA CYS 130 HA CYS 130 -4.526 3.229 5.429 464 HB2 CYS 130 2HB CYS 130 -4.292 5.647 6.325 465 HB3 CYS 130 1HB CYS 130 -3.132 4.514 7.001 466 H CYS 131 H CYS 131 -6.245 4.379 4.538 467 HA CYS 131 HA CYS 131 -5.546 5.509 1.949 468 HB2 CYS 131 2HB CYS 131 -6.098 3.003 1.808 469 HB3 CYS 131 1HB CYS 131 -7.720 3.467 2.273 470 H ARG 132 H ARG 132 -7.027 6.980 1.161 471 HA ARG 132 HA ARG 132 -8.945 7.812 3.186 472 HB2 ARG 132 2HB ARG 132 -8.709 10.125 2.273 473 HB3 ARG 132 1HB ARG 132 -7.192 9.472 2.862 474 HG2 ARG 132 2HG ARG 132 -6.539 8.974 0.546 475 HG3 ARG 132 1HG ARG 132 -8.034 9.733 -0.009 476 HD2 ARG 132 2HD ARG 132 -5.804 11.056 1.541 477 HD3 ARG 132 1HD ARG 132 -6.184 11.296 -0.160 478 HE ARG 132 HE ARG 132 -8.210 11.926 1.836 479 HH11 ARG 132 1HH1 ARG 132 -5.874 13.087 -0.539 480 HH12 ARG 132 2HH1 ARG 132 -6.442 14.684 -0.576 481 HH21 ARG 132 1HH2 ARG 132 -8.996 14.141 1.839 482 HH22 ARG 132 2HH2 ARG 132 -8.268 15.320 0.865 Start of MODEL 19 1 H1 ALA 1 1HT ALA 1 -11.009 -1.090 6.120 2 H2 ALA 1 2HT ALA 1 -12.089 -2.143 5.395 3 H3 ALA 1 3HT ALA 1 -12.420 -0.485 5.385 4 HA ALA 1 HA ALA 1 -11.675 -1.206 3.257 5 HB1 ALA 1 2HB ALA 1 -10.940 1.045 3.965 6 HB2 ALA 1 3HB ALA 1 -9.714 0.266 2.963 7 HB3 ALA 1 1HB ALA 1 -9.505 0.342 4.703 8 H THR 2 H THR 2 -10.231 -2.417 1.990 9 HA THR 2 HA THR 2 -8.086 -3.811 3.402 10 HB THR 2 HB THR 2 -10.012 -5.157 1.493 11 HG1 THR 2 1HG THR 2 -9.997 -4.808 4.211 12 HG21 THR 2 3HG2 THR 2 -7.755 -6.281 3.176 13 HG22 THR 2 1HG2 THR 2 -7.711 -6.064 1.425 14 HG23 THR 2 2HG2 THR 2 -8.836 -7.215 2.146 15 H CYS 3 H CYS 3 -6.325 -3.214 2.556 16 HA CYS 3 HA CYS 3 -6.159 -2.891 -0.358 17 HB2 CYS 3 2HB CYS 3 -4.648 -1.235 1.680 18 HB3 CYS 3 1HB CYS 3 -4.735 -0.971 -0.048 19 H TYR 4 H TYR 4 -3.698 -3.116 -0.986 20 HA TYR 4 HA TYR 4 -2.021 -4.359 0.898 21 HB2 TYR 4 2HB TYR 4 -1.784 -6.521 -0.399 22 HB3 TYR 4 1HB TYR 4 -3.270 -6.350 0.526 23 HD1 TYR 4 1HD TYR 4 -1.834 -6.153 -2.880 24 HD2 TYR 4 2HD TYR 4 -5.353 -6.461 -0.522 25 HE1 TYR 4 1HE TYR 4 -3.081 -6.632 -4.877 26 HE2 TYR 4 2HE TYR 4 -6.672 -6.965 -2.510 27 HH TYR 4 HH TYR 4 -5.288 -7.886 -5.363 28 H CYS 5 H CYS 5 0.050 -4.901 -0.000 29 HA CYS 5 HA CYS 5 0.701 -2.950 -2.026 30 HB2 CYS 5 2HB CYS 5 2.602 -4.557 -0.270 31 HB3 CYS 5 1HB CYS 5 2.908 -3.086 -1.197 32 H ARG 6 H ARG 6 0.409 -3.908 -4.021 33 HA ARG 6 HA ARG 6 1.225 -6.685 -4.384 34 HB2 ARG 6 2HB ARG 6 0.090 -6.620 -6.550 35 HB3 ARG 6 1HB ARG 6 -0.989 -5.980 -5.335 36 HG2 ARG 6 2HG ARG 6 -0.587 -3.820 -5.981 37 HG3 ARG 6 1HG ARG 6 0.673 -4.275 -7.185 38 HD2 ARG 6 2HD ARG 6 -1.427 -5.671 -8.072 39 HD3 ARG 6 1HD ARG 6 -2.311 -4.414 -7.211 40 HE ARG 6 HE ARG 6 -0.262 -3.630 -9.115 41 HH11 ARG 6 1HH1 ARG 6 -3.720 -3.722 -8.420 42 HH12 ARG 6 2HH1 ARG 6 -4.192 -2.857 -9.802 43 HH21 ARG 6 1HH2 ARG 6 -0.903 -2.504 -11.061 44 HH22 ARG 6 2HH2 ARG 6 -2.498 -2.179 -11.420 45 H THR 7 H THR 7 2.785 -7.296 -5.964 46 HA THR 7 HA THR 7 4.835 -5.281 -6.286 47 HB THR 7 HB THR 7 6.243 -7.219 -6.954 48 HG1 THR 7 1HG THR 7 4.796 -8.647 -7.802 49 HG21 THR 7 3HG2 THR 7 6.081 -6.535 -4.607 50 HG22 THR 7 1HG2 THR 7 6.267 -8.286 -4.740 51 HG23 THR 7 2HG2 THR 7 4.682 -7.587 -4.397 52 H GLY 8 H GLY 8 2.242 -6.000 -8.056 53 HA2 GLY 8 2HA GLY 8 3.360 -5.011 -10.473 54 HA3 GLY 8 1HA GLY 8 3.034 -6.738 -10.577 55 H ARG 9 H ARG 9 0.911 -7.477 -10.339 56 HA ARG 9 HA ARG 9 -1.104 -5.397 -10.785 57 HB2 ARG 9 2HB ARG 9 -2.259 -6.941 -12.295 58 HB3 ARG 9 1HB ARG 9 -0.647 -6.572 -12.885 59 HG2 ARG 9 2HG ARG 9 0.160 -8.693 -12.009 60 HG3 ARG 9 1HG ARG 9 -1.445 -9.049 -11.380 61 HD2 ARG 9 2HD ARG 9 -2.325 -9.014 -13.679 62 HD3 ARG 9 1HD ARG 9 -0.699 -8.719 -14.287 63 HE ARG 9 HE ARG 9 -0.675 -10.984 -12.643 64 HH11 ARG 9 1HH1 ARG 9 -1.809 -10.037 -15.849 65 HH12 ARG 9 2HH1 ARG 9 -1.734 -11.624 -16.478 66 HH21 ARG 9 1HH2 ARG 9 -0.574 -13.090 -13.491 67 HH22 ARG 9 2HH2 ARG 9 -1.017 -13.397 -15.128 68 H CYS 10 H CYS 10 -3.454 -6.530 -10.412 69 HA CYS 10 HA CYS 10 -3.368 -8.692 -8.593 70 HB2 CYS 10 2HB CYS 10 -4.862 -7.474 -6.962 71 HB3 CYS 10 1HB CYS 10 -3.236 -6.833 -6.960 72 H ALA 11 H ALA 11 -5.847 -9.226 -8.100 73 HA ALA 11 HA ALA 11 -6.830 -9.764 -10.704 74 HB1 ALA 11 1HB ALA 11 -8.689 -10.862 -9.547 75 HB2 ALA 11 2HB ALA 11 -8.175 -10.130 -8.023 76 HB3 ALA 11 3HB ALA 11 -7.145 -11.316 -8.821 77 H THR 12 H THR 12 -7.492 -7.353 -8.301 78 HA THR 12 HA THR 12 -9.577 -6.283 -9.952 79 HB THR 12 HB THR 12 -9.841 -6.039 -7.512 80 HG1 THR 12 1HG THR 12 -10.626 -4.141 -7.629 81 HG21 THR 12 3HG2 THR 12 -7.304 -4.419 -7.630 82 HG22 THR 12 1HG2 THR 12 -7.490 -5.968 -6.848 83 HG23 THR 12 2HG2 THR 12 -8.321 -4.551 -6.186 84 H ARG 13 H ARG 13 -8.510 -6.006 -11.838 85 HA ARG 13 HA ARG 13 -5.945 -4.942 -12.053 86 HB2 ARG 13 2HB ARG 13 -7.843 -5.997 -13.867 87 HB3 ARG 13 1HB ARG 13 -7.136 -4.527 -14.553 88 HG2 ARG 13 2HG ARG 13 -5.632 -6.954 -13.563 89 HG3 ARG 13 1HG ARG 13 -5.935 -6.543 -15.251 90 HD2 ARG 13 2HD ARG 13 -4.675 -4.382 -14.841 91 HD3 ARG 13 1HD ARG 13 -4.228 -5.025 -13.261 92 HE ARG 13 HE ARG 13 -3.532 -6.901 -15.195 93 HH11 ARG 13 1HH1 ARG 13 -2.489 -3.646 -14.128 94 HH12 ARG 13 2HH1 ARG 13 -0.938 -3.827 -14.796 95 HH21 ARG 13 1HH2 ARG 13 -1.374 -7.050 -16.088 96 HH22 ARG 13 2HH2 ARG 13 -0.287 -5.747 -15.901 97 H GLU 14 H GLU 14 -5.135 -3.166 -12.032 98 HA GLU 14 HA GLU 14 -4.696 -1.059 -11.903 99 HB2 GLU 14 2HB GLU 14 -6.688 -0.811 -14.127 100 HB3 GLU 14 1HB GLU 14 -5.503 0.416 -13.674 101 HG2 GLU 14 2HG GLU 14 -4.970 -2.340 -14.736 102 HG3 GLU 14 1HG GLU 14 -4.593 -0.795 -15.498 103 H SER 15 H SER 15 -6.989 -1.969 -10.214 104 HA SER 15 HA SER 15 -8.227 0.564 -9.576 105 HB2 SER 15 2HB SER 15 -8.008 -2.027 -8.015 106 HB3 SER 15 1HB SER 15 -9.124 -0.703 -7.672 107 HG SER 15 HG SER 15 -9.673 -2.704 -9.078 108 H LEU 16 H LEU 16 -5.669 0.977 -9.854 109 HA LEU 16 HA LEU 16 -4.052 0.620 -7.494 110 HB2 LEU 16 2HB LEU 16 -3.218 0.367 -9.867 111 HB3 LEU 16 1HB LEU 16 -3.546 2.046 -10.133 112 HG LEU 16 HG LEU 16 -1.313 0.949 -8.358 113 HD11 LEU 16 1HD1 LEU 16 -0.999 0.542 -10.694 114 HD12 LEU 16 2HD1 LEU 16 0.107 1.776 -10.088 115 HD13 LEU 16 3HD1 LEU 16 -1.298 2.243 -11.045 116 HD21 LEU 16 3HD2 LEU 16 -0.570 3.299 -8.304 117 HD22 LEU 16 1HD2 LEU 16 -2.173 3.159 -7.574 118 HD23 LEU 16 2HD2 LEU 16 -1.997 3.770 -9.215 119 H SER 17 H SER 17 -3.972 1.946 -5.936 120 HA SER 17 HA SER 17 -5.193 4.604 -6.211 121 HB2 SER 17 2HB SER 17 -5.733 4.258 -3.803 122 HB3 SER 17 1HB SER 17 -6.543 3.157 -4.924 123 HG SER 17 HG SER 17 -5.546 2.225 -3.009 124 H GLY 18 H GLY 18 -2.271 3.010 -5.666 125 HA2 GLY 18 2HA GLY 18 -0.899 5.379 -5.056 126 HA3 GLY 18 1HA GLY 18 -1.100 4.404 -3.601 127 H VAL 19 H VAL 19 1.410 4.934 -4.604 128 HA VAL 19 HA VAL 19 2.289 2.243 -5.209 129 HB VAL 19 HB VAL 19 4.035 3.163 -6.826 130 HG11 VAL 19 1HG1 VAL 19 1.158 3.121 -7.659 131 HG12 VAL 19 2HG1 VAL 19 2.286 1.750 -7.608 132 HG13 VAL 19 3HG1 VAL 19 2.527 3.043 -8.774 133 HG21 VAL 19 3HG2 VAL 19 2.059 5.420 -7.002 134 HG22 VAL 19 1HG2 VAL 19 3.429 5.166 -8.085 135 HG23 VAL 19 2HG2 VAL 19 3.703 5.524 -6.372 136 H CYS 20 H CYS 20 4.350 1.805 -4.688 137 HA CYS 20 HA CYS 20 6.052 3.820 -3.606 138 HB2 CYS 20 2HB CYS 20 6.428 2.367 -1.518 139 HB3 CYS 20 1HB CYS 20 4.999 3.416 -1.489 140 H GLU 21 H GLU 21 7.931 3.415 -4.495 141 HA GLU 21 HA GLU 21 8.463 0.652 -5.172 142 HB2 GLU 21 2HB GLU 21 8.670 2.274 -6.985 143 HB3 GLU 21 1HB GLU 21 9.840 3.182 -6.083 144 HG2 GLU 21 2HG GLU 21 10.374 0.311 -6.776 145 HG3 GLU 21 1HG GLU 21 10.670 1.561 -7.962 146 H ILE 22 H ILE 22 9.674 -0.458 -4.106 147 HA ILE 22 HA ILE 22 11.435 0.772 -2.114 148 HB ILE 22 HB ILE 22 9.571 -1.556 -1.426 149 HG12 ILE 22 2HG1 ILE 22 9.228 1.387 -0.698 150 HG13 ILE 22 1HG1 ILE 22 8.283 0.525 -1.909 151 HG21 ILE 22 1HG2 ILE 22 10.227 -1.071 0.832 152 HG22 ILE 22 2HG2 ILE 22 11.267 0.236 0.271 153 HG23 ILE 22 3HG2 ILE 22 11.637 -1.437 -0.162 154 HD11 ILE 22 3HD1 ILE 22 7.140 0.767 0.203 155 HD12 ILE 22 1HD1 ILE 22 8.444 -0.137 0.981 156 HD13 ILE 22 2HD1 ILE 22 7.430 -0.923 -0.241 157 H SER 23 H SER 23 13.293 -0.111 -2.187 158 HA SER 23 HA SER 23 15.089 -1.312 -2.771 159 HB2 SER 23 2HB SER 23 14.997 -3.772 -2.233 160 HB3 SER 23 1HB SER 23 14.418 -2.723 -0.946 161 HG SER 23 HG SER 23 12.350 -3.318 -2.467 162 H GLY 24 H GLY 24 13.392 -0.602 -5.046 163 HA2 GLY 24 2HA GLY 24 13.989 -0.847 -7.278 164 HA3 GLY 24 1HA GLY 24 14.648 -2.438 -6.925 165 H ARG 25 H ARG 25 11.793 -2.472 -5.413 166 HA ARG 25 HA ARG 25 10.474 -3.703 -7.713 167 HB2 ARG 25 2HB ARG 25 11.135 -5.130 -5.769 168 HB3 ARG 25 1HB ARG 25 10.093 -4.153 -4.752 169 HG2 ARG 25 2HG ARG 25 8.166 -4.864 -6.058 170 HG3 ARG 25 1HG ARG 25 9.265 -5.809 -7.080 171 HD2 ARG 25 2HD ARG 25 8.860 -6.199 -4.111 172 HD3 ARG 25 1HD ARG 25 8.158 -7.209 -5.371 173 HE ARG 25 HE ARG 25 10.691 -7.473 -5.968 174 HH11 ARG 25 1HH1 ARG 25 9.277 -7.427 -2.700 175 HH12 ARG 25 2HH1 ARG 25 10.377 -8.552 -2.058 176 HH21 ARG 25 1HH2 ARG 25 12.232 -9.007 -5.031 177 HH22 ARG 25 2HH2 ARG 25 12.077 -9.449 -3.385 178 H LEU 26 H LEU 26 8.338 -2.953 -8.229 179 HA LEU 26 HA LEU 26 7.665 -0.456 -6.895 180 HB2 LEU 26 2HB LEU 26 7.662 -1.085 -9.539 181 HB3 LEU 26 1HB LEU 26 6.024 -1.535 -9.111 182 HG LEU 26 HG LEU 26 5.715 0.592 -9.860 183 HD11 LEU 26 1HD1 LEU 26 6.105 1.071 -6.978 184 HD12 LEU 26 2HD1 LEU 26 4.661 0.445 -7.790 185 HD13 LEU 26 3HD1 LEU 26 5.226 2.091 -8.118 186 HD21 LEU 26 3HD2 LEU 26 8.323 1.365 -8.595 187 HD22 LEU 26 1HD2 LEU 26 7.213 2.512 -9.372 188 HD23 LEU 26 2HD2 LEU 26 7.949 1.214 -10.307 189 H TYR 27 H TYR 27 6.308 -0.628 -5.256 190 HA TYR 27 HA TYR 27 4.411 -2.788 -5.172 191 HB2 TYR 27 2HB TYR 27 5.511 -0.850 -3.214 192 HB3 TYR 27 1HB TYR 27 4.125 -1.764 -2.722 193 HD1 TYR 27 1HD TYR 27 4.381 -4.341 -2.818 194 HD2 TYR 27 2HD TYR 27 7.675 -1.668 -3.080 195 HE1 TYR 27 1HE TYR 27 5.901 -6.166 -2.201 196 HE2 TYR 27 2HE TYR 27 9.206 -3.493 -2.454 197 HH TYR 27 HH TYR 27 9.057 -5.656 -1.234 198 H ARG 28 H ARG 28 2.577 -2.456 -5.961 199 HA ARG 28 HA ARG 28 1.446 0.246 -6.146 200 HB2 ARG 28 2HB ARG 28 0.807 -2.313 -7.559 201 HB3 ARG 28 1HB ARG 28 -0.281 -0.937 -7.579 202 HG2 ARG 28 2HG ARG 28 1.251 0.377 -8.712 203 HG3 ARG 28 1HG ARG 28 2.566 -0.766 -8.479 204 HD2 ARG 28 2HD ARG 28 1.259 -2.410 -9.832 205 HD3 ARG 28 1HD ARG 28 0.043 -1.249 -10.026 206 HE ARG 28 HE ARG 28 1.441 0.126 -11.356 207 HH11 ARG 28 1HH1 ARG 28 3.014 -2.947 -10.559 208 HH12 ARG 28 2HH1 ARG 28 3.973 -2.961 -11.968 209 HH21 ARG 28 1HH2 ARG 28 2.744 0.082 -13.258 210 HH22 ARG 28 2HH2 ARG 28 3.824 -1.215 -13.515 211 H LEU 29 H LEU 29 -0.413 0.710 -5.215 212 HA LEU 29 HA LEU 29 -1.374 -1.266 -3.319 213 HB2 LEU 29 2HB LEU 29 -1.904 1.696 -3.406 214 HB3 LEU 29 1HB LEU 29 -2.248 0.586 -2.094 215 HG LEU 29 HG LEU 29 0.480 1.459 -3.023 216 HD11 LEU 29 1HD1 LEU 29 0.652 2.433 -0.797 217 HD12 LEU 29 2HD1 LEU 29 -1.033 2.008 -0.496 218 HD13 LEU 29 3HD1 LEU 29 -0.628 3.166 -1.764 219 HD21 LEU 29 3HD2 LEU 29 0.575 -0.840 -2.322 220 HD22 LEU 29 1HD2 LEU 29 -0.288 -0.420 -0.823 221 HD23 LEU 29 2HD2 LEU 29 1.331 0.232 -1.136 222 H CYS 30 H CYS 30 -3.037 -2.336 -4.124 223 HA CYS 30 HA CYS 30 -5.099 -0.711 -5.337 224 HB2 CYS 30 2HB CYS 30 -5.892 -2.878 -6.539 225 HB3 CYS 30 1HB CYS 30 -4.382 -2.177 -7.129 226 H CYS 31 H CYS 31 -6.935 -0.661 -4.354 227 HA CYS 31 HA CYS 31 -7.112 -2.390 -2.010 228 HB2 CYS 31 2HB CYS 31 -6.554 0.080 -1.682 229 HB3 CYS 31 1HB CYS 31 -8.174 0.414 -2.281 230 H ARG 32 H ARG 32 -9.320 -2.926 -1.376 231 HA ARG 32 HA ARG 32 -10.907 -3.157 -3.845 232 HB2 ARG 32 2HB ARG 32 -12.032 -5.049 -2.845 233 HB3 ARG 32 1HB ARG 32 -10.292 -5.256 -2.760 234 HG2 ARG 32 2HG ARG 32 -10.345 -4.555 -0.417 235 HG3 ARG 32 1HG ARG 32 -12.103 -4.427 -0.514 236 HD2 ARG 32 2HD ARG 32 -12.144 -6.842 -1.232 237 HD3 ARG 32 1HD ARG 32 -10.409 -6.848 -0.898 238 HE ARG 32 HE ARG 32 -11.811 -5.943 1.346 239 HH11 ARG 32 1HH1 ARG 32 -11.087 -8.920 -0.482 240 HH12 ARG 32 2HH1 ARG 32 -11.228 -9.943 0.870 241 HH21 ARG 32 1HH2 ARG 32 -11.975 -7.397 3.198 242 HH22 ARG 32 2HH2 ARG 32 -11.755 -9.080 2.978 243 H1 ALA 101 H ALA 101 -9.703 7.066 -5.077 244 HA ALA 101 HA ALA 101 -9.494 5.648 -2.671 245 HB1 ALA 101 1HB ALA 101 -10.153 3.727 -4.086 246 HB2 ALA 101 2HB ALA 101 -8.503 3.589 -3.486 247 HB3 ALA 101 3HB ALA 101 -8.779 4.059 -5.147 248 H THR 102 H THR 102 -7.872 6.788 -1.919 249 HA THR 102 HA THR 102 -5.409 6.742 -3.475 250 HB THR 102 HB THR 102 -6.340 9.039 -1.728 251 HG1 THR 102 1HG THR 102 -7.271 8.945 -3.816 252 HG21 THR 102 3HG2 THR 102 -3.758 8.678 -3.276 253 HG22 THR 102 1HG2 THR 102 -3.917 8.679 -1.521 254 HG23 THR 102 2HG2 THR 102 -4.247 10.149 -2.439 255 H CYS 103 H CYS 103 -4.088 5.442 -2.545 256 HA CYS 103 HA CYS 103 -4.124 5.192 0.382 257 HB2 CYS 103 2HB CYS 103 -3.283 3.100 -1.652 258 HB3 CYS 103 1HB CYS 103 -3.384 2.894 0.080 259 H TYR 104 H TYR 104 -1.880 4.638 1.200 260 HA TYR 104 HA TYR 104 0.274 5.052 -0.558 261 HB2 TYR 104 2HB TYR 104 1.247 6.992 0.752 262 HB3 TYR 104 1HB TYR 104 -0.122 7.386 -0.268 263 HD1 TYR 104 1HD TYR 104 0.968 6.868 3.221 264 HD2 TYR 104 2HD TYR 104 -2.125 8.234 0.649 265 HE1 TYR 104 1HE TYR 104 -0.155 7.894 5.129 266 HE2 TYR 104 2HE TYR 104 -3.262 9.269 2.543 267 HH TYR 104 HH TYR 104 -3.345 8.931 4.939 268 H CYS 105 H CYS 105 2.225 4.496 0.286 269 HA CYS 105 HA CYS 105 1.962 2.523 2.362 270 HB2 CYS 105 2HB CYS 105 4.428 3.242 0.735 271 HB3 CYS 105 1HB CYS 105 4.079 1.756 1.621 272 H ARG 106 H ARG 106 2.009 3.350 4.364 273 HA ARG 106 HA ARG 106 3.934 5.462 5.002 274 HB2 ARG 106 2HB ARG 106 2.682 5.556 7.235 275 HB3 ARG 106 1HB ARG 106 1.816 6.127 5.823 276 HG2 ARG 106 2HG ARG 106 0.445 4.263 5.754 277 HG3 ARG 106 1HG ARG 106 1.488 3.316 6.829 278 HD2 ARG 106 2HD ARG 106 0.848 4.726 8.690 279 HD3 ARG 106 1HD ARG 106 -0.044 5.797 7.617 280 HE ARG 106 HE ARG 106 -1.517 3.870 7.183 281 HH11 ARG 106 1HH1 ARG 106 0.329 3.783 10.208 282 HH12 ARG 106 2HH1 ARG 106 -0.908 3.116 11.138 283 HH21 ARG 106 1HH2 ARG 106 -3.307 2.931 8.541 284 HH22 ARG 106 2HH2 ARG 106 -2.997 2.626 10.184 285 H THR 107 H THR 107 5.451 5.241 6.611 286 HA THR 107 HA THR 107 6.254 2.504 7.124 287 HB THR 107 HB THR 107 8.321 3.595 8.018 288 HG1 THR 107 1HG THR 107 7.412 6.009 6.898 289 HG21 THR 107 3HG2 THR 107 9.139 4.395 5.842 290 HG22 THR 107 1HG2 THR 107 7.477 4.496 5.257 291 HG23 THR 107 2HG2 THR 107 8.173 2.928 5.658 292 H GLY 108 H GLY 108 4.190 4.525 8.565 293 HA2 GLY 108 2HA GLY 108 4.472 3.347 11.137 294 HA3 GLY 108 1HA GLY 108 4.853 5.071 11.093 295 H ARG 109 H ARG 109 3.239 6.479 11.177 296 HA ARG 109 HA ARG 109 0.607 5.317 10.837 297 HB2 ARG 109 2HB ARG 109 -0.252 6.910 12.497 298 HB3 ARG 109 1HB ARG 109 0.968 5.837 13.162 299 HG2 ARG 109 2HG ARG 109 2.617 7.580 13.009 300 HG3 ARG 109 1HG ARG 109 1.434 8.665 12.274 301 HD2 ARG 109 2HD ARG 109 0.056 8.487 14.321 302 HD3 ARG 109 1HD ARG 109 1.305 7.475 15.044 303 HE ARG 109 HE ARG 109 2.594 9.730 14.268 304 HH11 ARG 109 1HH1 ARG 109 -0.150 9.036 16.402 305 HH12 ARG 109 2HH1 ARG 109 0.111 10.387 17.402 306 HH21 ARG 109 1HH2 ARG 109 2.969 11.584 15.700 307 HH22 ARG 109 2HH2 ARG 109 1.890 11.846 17.001 308 H CYS 110 H CYS 110 -1.084 7.290 10.645 309 HA CYS 110 HA CYS 110 -0.166 9.459 9.070 310 HB2 CYS 110 2HB CYS 110 -2.050 8.982 7.394 311 HB3 CYS 110 1HB CYS 110 -0.709 7.876 7.238 312 H ALA 111 H ALA 111 -2.332 10.905 8.752 313 HA ALA 111 HA ALA 111 -3.006 11.435 11.459 314 HB1 ALA 111 1HB ALA 111 -4.186 12.612 8.943 315 HB2 ALA 111 2HB ALA 111 -2.757 13.208 9.783 316 HB3 ALA 111 3HB ALA 111 -4.334 13.279 10.567 317 H THR 112 H THR 112 -4.579 9.706 8.918 318 HA THR 112 HA THR 112 -7.063 9.485 10.381 319 HB THR 112 HB THR 112 -7.084 9.557 7.895 320 HG1 THR 112 1HG THR 112 -8.571 7.960 7.605 321 HG21 THR 112 3HG2 THR 112 -5.655 6.900 8.073 322 HG22 THR 112 1HG2 THR 112 -4.977 8.391 7.440 323 HG23 THR 112 2HG2 THR 112 -6.301 7.594 6.584 324 H ARG 113 H ARG 113 -4.787 8.683 11.807 325 HA ARG 113 HA ARG 113 -4.178 5.963 11.934 326 HB2 ARG 113 2HB ARG 113 -2.844 7.631 13.095 327 HB3 ARG 113 1HB ARG 113 -4.203 8.056 14.111 328 HG2 ARG 113 2HG ARG 113 -2.499 6.767 15.298 329 HG3 ARG 113 1HG ARG 113 -4.050 5.934 15.265 330 HD2 ARG 113 2HD ARG 113 -3.247 4.415 13.593 331 HD3 ARG 113 1HD ARG 113 -1.768 5.358 13.375 332 HE ARG 113 HE ARG 113 -1.208 4.772 15.685 333 HH11 ARG 113 1HH1 ARG 113 -3.523 2.646 14.029 334 HH12 ARG 113 2HH1 ARG 113 -3.072 1.270 14.927 335 HH21 ARG 113 1HH2 ARG 113 -0.611 2.853 16.870 336 HH22 ARG 113 2HH2 ARG 113 -1.411 1.384 16.546 337 H GLU 114 H GLU 114 -5.774 4.703 11.721 338 HA GLU 114 HA GLU 114 -7.396 3.662 13.663 339 HB2 GLU 114 2HB GLU 114 -8.544 5.912 13.549 340 HB3 GLU 114 1HB GLU 114 -8.771 5.679 11.835 341 HG2 GLU 114 2HG GLU 114 -10.044 3.994 13.998 342 HG3 GLU 114 1HG GLU 114 -10.824 5.348 13.195 343 H SER 115 H SER 115 -7.427 4.883 10.341 344 HA SER 115 HA SER 115 -8.435 2.410 9.293 345 HB2 SER 115 2HB SER 115 -7.597 4.938 7.896 346 HB3 SER 115 1HB SER 115 -8.532 3.607 7.205 347 HG SER 115 HG SER 115 -9.787 4.294 9.412 348 H LEU 116 H LEU 116 -6.629 1.090 9.946 349 HA LEU 116 HA LEU 116 -4.479 1.250 7.961 350 HB2 LEU 116 2HB LEU 116 -3.778 0.905 10.377 351 HB3 LEU 116 1HB LEU 116 -4.719 -0.560 10.412 352 HG LEU 116 HG LEU 116 -2.119 -0.201 8.815 353 HD11 LEU 116 1HD1 LEU 116 -1.809 -0.134 11.195 354 HD12 LEU 116 2HD1 LEU 116 -1.180 -1.613 10.464 355 HD13 LEU 116 3HD1 LEU 116 -2.704 -1.647 11.353 356 HD21 LEU 116 3HD2 LEU 116 -2.293 -2.639 8.579 357 HD22 LEU 116 1HD2 LEU 116 -3.678 -1.854 7.817 358 HD23 LEU 116 2HD2 LEU 116 -3.849 -2.610 9.394 359 H SER 117 H SER 117 -4.782 0.244 6.226 360 HA SER 117 HA SER 117 -6.980 -1.691 6.177 361 HB2 SER 117 2HB SER 117 -7.217 -0.988 3.792 362 HB3 SER 117 1HB SER 117 -7.515 0.275 4.989 363 HG SER 117 HG SER 117 -6.007 0.536 3.013 364 H GLY 118 H GLY 118 -3.665 -1.536 5.911 365 HA2 GLY 118 2HA GLY 118 -3.476 -4.225 5.207 366 HA3 GLY 118 1HA GLY 118 -3.090 -3.230 3.806 367 H VAL 119 H VAL 119 -1.263 -4.914 4.950 368 HA VAL 119 HA VAL 119 0.756 -2.985 5.690 369 HB VAL 119 HB VAL 119 1.782 -4.715 7.265 370 HG11 VAL 119 1HG1 VAL 119 0.439 -3.981 9.205 371 HG12 VAL 119 2HG1 VAL 119 -0.740 -3.325 8.047 372 HG13 VAL 119 3HG1 VAL 119 0.896 -2.668 8.115 373 HG21 VAL 119 3HG2 VAL 119 -1.041 -5.731 7.279 374 HG22 VAL 119 1HG2 VAL 119 0.229 -6.216 8.405 375 HG23 VAL 119 2HG2 VAL 119 0.380 -6.595 6.680 376 H CYS 120 H CYS 120 2.717 -3.472 5.045 377 HA CYS 120 HA CYS 120 3.278 -6.058 3.930 378 HB2 CYS 120 2HB CYS 120 4.408 -4.827 1.962 379 HB3 CYS 120 1HB CYS 120 2.640 -5.043 1.869 380 H GLU 121 H GLU 121 5.066 -6.702 4.832 381 HA GLU 121 HA GLU 121 6.849 -4.653 5.884 382 HB2 GLU 121 2HB GLU 121 6.057 -6.417 7.422 383 HB3 GLU 121 1HB GLU 121 6.774 -7.629 6.393 384 HG2 GLU 121 2HG GLU 121 8.977 -6.631 6.779 385 HG3 GLU 121 1HG GLU 121 8.247 -5.463 7.855 386 H ILE 122 H ILE 122 8.325 -4.052 4.627 387 HA ILE 122 HA ILE 122 9.420 -5.911 2.631 388 HB ILE 122 HB ILE 122 8.944 -2.933 2.246 389 HG12 ILE 122 2HG1 ILE 122 7.312 -5.234 1.128 390 HG13 ILE 122 1HG1 ILE 122 6.826 -4.248 2.508 391 HG21 ILE 122 1HG2 ILE 122 10.755 -3.841 0.922 392 HG22 ILE 122 2HG2 ILE 122 9.366 -3.438 -0.091 393 HG23 ILE 122 3HG2 ILE 122 9.691 -5.117 0.327 394 HD11 ILE 122 3HD1 ILE 122 5.750 -3.539 0.459 395 HD12 ILE 122 1HD1 ILE 122 7.341 -3.256 -0.258 396 HD13 ILE 122 2HD1 ILE 122 6.816 -2.291 1.124 397 H SER 123 H SER 123 11.539 -5.967 2.631 398 HA SER 123 HA SER 123 13.702 -5.782 3.304 399 HB2 SER 123 2HB SER 123 14.699 -3.453 3.147 400 HB3 SER 123 1HB SER 123 13.764 -3.925 1.735 401 HG SER 123 HG SER 123 12.119 -2.757 3.428 402 H GLY 124 H GLY 124 11.794 -6.032 5.390 403 HA2 GLY 124 2HA GLY 124 12.132 -6.359 7.678 404 HA3 GLY 124 1HA GLY 124 13.489 -5.244 7.605 405 H ARG 125 H ARG 125 11.485 -3.413 6.110 406 HA ARG 125 HA ARG 125 10.654 -2.072 8.545 407 HB2 ARG 125 2HB ARG 125 12.008 -0.895 6.830 408 HB3 ARG 125 1HB ARG 125 10.720 -1.150 5.673 409 HG2 ARG 125 2HG ARG 125 9.226 0.232 7.004 410 HG3 ARG 125 1HG ARG 125 10.519 0.427 8.199 411 HD2 ARG 125 2HD ARG 125 10.668 1.297 5.318 412 HD3 ARG 125 1HD ARG 125 10.339 2.368 6.678 413 HE ARG 125 HE ARG 125 12.606 1.468 7.499 414 HH11 ARG 125 1HH1 ARG 125 11.826 2.098 4.080 415 HH12 ARG 125 2HH1 ARG 125 13.411 2.559 3.676 416 HH21 ARG 125 1HH2 ARG 125 14.787 2.092 6.900 417 HH22 ARG 125 2HH2 ARG 125 15.106 2.558 5.281 418 H LEU 126 H LEU 126 8.473 -1.602 8.946 419 HA LEU 126 HA LEU 126 6.655 -3.296 7.450 420 HB2 LEU 126 2HB LEU 126 6.875 -2.887 10.112 421 HB3 LEU 126 1HB LEU 126 5.720 -1.632 9.709 422 HG LEU 126 HG LEU 126 4.302 -3.312 10.275 423 HD11 LEU 126 1HD1 LEU 126 3.272 -4.296 8.432 424 HD12 LEU 126 2HD1 LEU 126 4.682 -3.957 7.438 425 HD13 LEU 126 3HD1 LEU 126 3.711 -2.602 8.098 426 HD21 LEU 126 3HD2 LEU 126 6.195 -5.287 9.057 427 HD22 LEU 126 1HD2 LEU 126 4.646 -5.685 9.805 428 HD23 LEU 126 2HD2 LEU 126 5.940 -4.977 10.771 429 H TYR 127 H TYR 127 5.584 -2.383 5.848 430 HA TYR 127 HA TYR 127 5.048 0.461 5.860 431 HB2 TYR 127 2HB TYR 127 5.153 -1.669 3.775 432 HB3 TYR 127 1HB TYR 127 4.499 -0.131 3.321 433 HD1 TYR 127 1HD TYR 127 6.099 1.908 3.607 434 HD2 TYR 127 2HD TYR 127 7.431 -2.128 3.783 435 HE1 TYR 127 1HE TYR 127 8.407 2.650 3.178 436 HE2 TYR 127 2HE TYR 127 9.743 -1.384 3.339 437 HH TYR 127 HH TYR 127 10.949 0.482 2.408 438 H ARG 128 H ARG 128 3.134 1.051 6.440 439 HA ARG 128 HA ARG 128 0.897 -0.864 6.471 440 HB2 ARG 128 2HB ARG 128 1.404 1.709 7.908 441 HB3 ARG 128 1HB ARG 128 -0.199 0.996 7.828 442 HG2 ARG 128 2HG ARG 128 0.445 -0.832 9.033 443 HG3 ARG 128 1HG ARG 128 2.158 -0.530 8.862 444 HD2 ARG 128 2HD ARG 128 1.725 1.637 10.143 445 HD3 ARG 128 1HD ARG 128 0.137 1.080 10.373 446 HE ARG 128 HE ARG 128 0.871 -0.732 11.714 447 HH11 ARG 128 1HH1 ARG 128 3.522 1.317 10.729 448 HH12 ARG 128 2HH1 ARG 128 4.494 1.003 12.096 449 HH21 ARG 128 1HH2 ARG 128 2.152 -1.238 13.539 450 HH22 ARG 128 2HH2 ARG 128 3.681 -0.523 13.777 451 H LEU 129 H LEU 129 -1.080 -0.195 5.699 452 HA LEU 129 HA LEU 129 -0.882 1.950 3.723 453 HB2 LEU 129 2HB LEU 129 -2.656 -0.482 3.649 454 HB3 LEU 129 1HB LEU 129 -2.436 0.715 2.384 455 HG LEU 129 HG LEU 129 -0.405 -1.300 3.322 456 HD11 LEU 129 1HD1 LEU 129 -0.599 -2.169 1.057 457 HD12 LEU 129 2HD1 LEU 129 -1.925 -1.044 0.752 458 HD13 LEU 129 3HD1 LEU 129 -2.100 -2.308 1.974 459 HD21 LEU 129 3HD2 LEU 129 0.755 0.707 2.714 460 HD22 LEU 129 1HD2 LEU 129 -0.188 0.803 1.201 461 HD23 LEU 129 2HD2 LEU 129 0.930 -0.540 1.464 462 H CYS 130 H CYS 130 -2.141 3.624 4.186 463 HA CYS 130 HA CYS 130 -4.726 3.006 5.299 464 HB2 CYS 130 2HB CYS 130 -4.713 5.409 6.334 465 HB3 CYS 130 1HB CYS 130 -3.727 4.188 7.135 466 H CYS 131 H CYS 131 -6.469 4.139 4.396 467 HA CYS 131 HA CYS 131 -5.670 5.417 1.892 468 HB2 CYS 131 2HB CYS 131 -5.988 2.838 1.745 469 HB3 CYS 131 1HB CYS 131 -7.678 3.220 1.941 470 H ARG 132 H ARG 132 -7.306 6.628 0.944 471 HA ARG 132 HA ARG 132 -9.403 7.348 2.819 472 HB2 ARG 132 2HB ARG 132 -9.522 9.520 1.686 473 HB3 ARG 132 1HB ARG 132 -7.899 9.187 2.250 474 HG2 ARG 132 2HG ARG 132 -7.296 8.543 -0.064 475 HG3 ARG 132 1HG ARG 132 -8.901 9.065 -0.588 476 HD2 ARG 132 2HD ARG 132 -8.384 11.319 0.460 477 HD3 ARG 132 1HD ARG 132 -6.756 10.665 0.707 478 HE ARG 132 HE ARG 132 -7.700 10.651 -2.007 479 HH11 ARG 132 1HH1 ARG 132 -5.845 12.344 0.481 480 HH12 ARG 132 2HH1 ARG 132 -4.960 13.308 -0.592 481 HH21 ARG 132 1HH2 ARG 132 -6.462 11.994 -3.522 482 HH22 ARG 132 2HH2 ARG 132 -5.302 13.102 -2.946 Start of MODEL 20 1 H1 ALA 1 1HT ALA 1 -12.507 -0.230 4.665 2 H2 ALA 1 2HT ALA 1 -11.262 -0.905 5.588 3 H3 ALA 1 3HT ALA 1 -12.318 -1.903 4.729 4 HA ALA 1 HA ALA 1 -11.497 -1.057 2.656 5 HB1 ALA 1 2HB ALA 1 -9.560 0.434 2.632 6 HB2 ALA 1 3HB ALA 1 -9.591 0.524 4.386 7 HB3 ALA 1 1HB ALA 1 -10.920 1.207 3.448 8 H THR 2 H THR 2 -10.280 -2.640 1.784 9 HA THR 2 HA THR 2 -8.097 -3.709 3.417 10 HB THR 2 HB THR 2 -9.903 -5.258 1.530 11 HG1 THR 2 1HG THR 2 -9.788 -4.957 4.336 12 HG21 THR 2 3HG2 THR 2 -7.667 -6.186 3.356 13 HG22 THR 2 1HG2 THR 2 -7.597 -6.128 1.597 14 HG23 THR 2 2HG2 THR 2 -8.706 -7.241 2.401 15 H CYS 3 H CYS 3 -6.297 -3.101 2.509 16 HA CYS 3 HA CYS 3 -6.174 -2.919 -0.428 17 HB2 CYS 3 2HB CYS 3 -4.596 -1.204 1.513 18 HB3 CYS 3 1HB CYS 3 -4.775 -0.979 -0.211 19 H TYR 4 H TYR 4 -3.845 -3.357 -1.153 20 HA TYR 4 HA TYR 4 -2.092 -4.334 0.810 21 HB2 TYR 4 2HB TYR 4 -1.786 -6.633 -0.171 22 HB3 TYR 4 1HB TYR 4 -3.268 -6.391 0.727 23 HD1 TYR 4 1HD TYR 4 -1.841 -6.707 -2.676 24 HD2 TYR 4 2HD TYR 4 -5.356 -6.768 -0.282 25 HE1 TYR 4 1HE TYR 4 -3.093 -7.655 -4.556 26 HE2 TYR 4 2HE TYR 4 -6.631 -7.711 -2.153 27 HH TYR 4 HH TYR 4 -6.525 -7.859 -4.521 28 H CYS 5 H CYS 5 -0.049 -4.980 0.059 29 HA CYS 5 HA CYS 5 0.746 -3.137 -2.023 30 HB2 CYS 5 2HB CYS 5 2.522 -4.764 -0.167 31 HB3 CYS 5 1HB CYS 5 2.882 -3.289 -1.070 32 H ARG 6 H ARG 6 0.803 -4.054 -4.028 33 HA ARG 6 HA ARG 6 1.990 -6.746 -4.234 34 HB2 ARG 6 2HB ARG 6 0.649 -7.277 -6.217 35 HB3 ARG 6 1HB ARG 6 -0.429 -6.879 -4.897 36 HG2 ARG 6 2HG ARG 6 0.346 -4.882 -7.021 37 HG3 ARG 6 1HG ARG 6 -1.017 -5.998 -7.168 38 HD2 ARG 6 2HD ARG 6 -2.177 -5.003 -5.415 39 HD3 ARG 6 1HD ARG 6 -0.727 -4.215 -4.801 40 HE ARG 6 HE ARG 6 -1.341 -2.450 -5.961 41 HH11 ARG 6 1HH1 ARG 6 -2.400 -5.147 -7.968 42 HH12 ARG 6 2HH1 ARG 6 -3.096 -4.173 -9.183 43 HH21 ARG 6 1HH2 ARG 6 -2.359 -1.109 -7.662 44 HH22 ARG 6 2HH2 ARG 6 -3.077 -1.876 -9.003 45 H THR 7 H THR 7 3.333 -7.073 -6.045 46 HA THR 7 HA THR 7 4.625 -4.585 -6.797 47 HB THR 7 HB THR 7 6.434 -6.071 -7.667 48 HG1 THR 7 1HG THR 7 5.149 -8.197 -6.303 49 HG21 THR 7 3HG2 THR 7 7.176 -6.774 -5.444 50 HG22 THR 7 1HG2 THR 7 5.546 -6.514 -4.824 51 HG23 THR 7 2HG2 THR 7 6.491 -5.147 -5.417 52 H GLY 8 H GLY 8 2.119 -5.906 -8.038 53 HA2 GLY 8 2HA GLY 8 2.706 -5.017 -10.686 54 HA3 GLY 8 1HA GLY 8 2.413 -6.753 -10.568 55 H ARG 9 H ARG 9 0.453 -7.366 -10.766 56 HA ARG 9 HA ARG 9 -1.641 -5.358 -10.521 57 HB2 ARG 9 2HB ARG 9 -2.958 -6.846 -12.011 58 HB3 ARG 9 1HB ARG 9 -1.480 -6.252 -12.743 59 HG2 ARG 9 2HG ARG 9 -0.405 -8.399 -12.170 60 HG3 ARG 9 1HG ARG 9 -1.973 -8.985 -11.602 61 HD2 ARG 9 2HD ARG 9 -2.907 -8.550 -13.834 62 HD3 ARG 9 1HD ARG 9 -1.313 -8.046 -14.391 63 HE ARG 9 HE ARG 9 -1.321 -10.634 -13.218 64 HH11 ARG 9 1HH1 ARG 9 -1.929 -8.891 -16.223 65 HH12 ARG 9 2HH1 ARG 9 -1.728 -10.251 -17.226 66 HH21 ARG 9 1HH2 ARG 9 -1.051 -12.512 -14.579 67 HH22 ARG 9 2HH2 ARG 9 -1.200 -12.358 -16.264 68 H CYS 10 H CYS 10 -3.873 -6.490 -9.906 69 HA CYS 10 HA CYS 10 -3.449 -8.678 -8.027 70 HB2 CYS 10 2HB CYS 10 -4.692 -7.527 -6.196 71 HB3 CYS 10 1HB CYS 10 -3.248 -6.621 -6.627 72 H ALA 11 H ALA 11 -5.552 -9.551 -7.206 73 HA ALA 11 HA ALA 11 -7.190 -10.022 -9.453 74 HB1 ALA 11 1HB ALA 11 -8.384 -11.621 -8.066 75 HB2 ALA 11 2HB ALA 11 -7.594 -10.984 -6.626 76 HB3 ALA 11 3HB ALA 11 -6.641 -11.803 -7.860 77 H THR 12 H THR 12 -8.001 -8.060 -9.907 78 HA THR 12 HA THR 12 -10.578 -7.544 -9.530 79 HB THR 12 HB THR 12 -10.188 -6.988 -7.118 80 HG1 THR 12 1HG THR 12 -11.539 -5.378 -7.166 81 HG21 THR 12 3HG2 THR 12 -7.893 -6.112 -7.249 82 HG22 THR 12 1HG2 THR 12 -8.961 -4.941 -6.475 83 HG23 THR 12 2HG2 THR 12 -8.468 -4.716 -8.156 84 H ARG 13 H ARG 13 -7.400 -6.136 -9.777 85 HA ARG 13 HA ARG 13 -6.359 -4.725 -11.226 86 HB2 ARG 13 2HB ARG 13 -8.725 -5.159 -13.054 87 HB3 ARG 13 1HB ARG 13 -7.172 -4.506 -13.512 88 HG2 ARG 13 2HG ARG 13 -7.785 -7.322 -12.675 89 HG3 ARG 13 1HG ARG 13 -7.446 -6.752 -14.300 90 HD2 ARG 13 2HD ARG 13 -5.134 -6.074 -13.404 91 HD3 ARG 13 1HD ARG 13 -5.509 -6.997 -11.974 92 HE ARG 13 HE ARG 13 -5.375 -8.051 -14.694 93 HH11 ARG 13 1HH1 ARG 13 -5.344 -8.705 -11.199 94 HH12 ARG 13 2HH1 ARG 13 -4.903 -10.330 -11.376 95 HH21 ARG 13 1HH2 ARG 13 -4.797 -10.269 -14.903 96 HH22 ARG 13 2HH2 ARG 13 -4.584 -11.261 -13.526 97 H GLU 14 H GLU 14 -6.912 -2.749 -12.781 98 HA GLU 14 HA GLU 14 -7.693 -0.767 -13.241 99 HB2 GLU 14 2HB GLU 14 -10.231 -1.763 -11.980 100 HB3 GLU 14 1HB GLU 14 -10.099 -0.241 -12.858 101 HG2 GLU 14 2HG GLU 14 -9.422 -1.413 -14.864 102 HG3 GLU 14 1HG GLU 14 -9.441 -2.945 -14.002 103 H SER 15 H SER 15 -8.291 -1.467 -9.860 104 HA SER 15 HA SER 15 -8.082 1.369 -9.340 105 HB2 SER 15 2HB SER 15 -9.836 0.149 -8.161 106 HB3 SER 15 1HB SER 15 -8.626 -0.902 -7.423 107 HG SER 15 HG SER 15 -9.019 1.874 -7.036 108 H LEU 16 H LEU 16 -5.926 1.724 -9.854 109 HA LEU 16 HA LEU 16 -4.086 0.682 -7.842 110 HB2 LEU 16 2HB LEU 16 -3.287 0.596 -10.237 111 HB3 LEU 16 1HB LEU 16 -3.490 2.324 -10.350 112 HG LEU 16 HG LEU 16 -1.375 0.942 -8.638 113 HD11 LEU 16 1HD1 LEU 16 -1.209 2.301 -11.297 114 HD12 LEU 16 2HD1 LEU 16 -1.090 0.565 -11.006 115 HD13 LEU 16 3HD1 LEU 16 0.137 1.659 -10.353 116 HD21 LEU 16 3HD2 LEU 16 -1.950 3.188 -7.803 117 HD22 LEU 16 1HD2 LEU 16 -1.796 3.825 -9.443 118 HD23 LEU 16 2HD2 LEU 16 -0.385 3.198 -8.632 119 H SER 17 H SER 17 -4.038 1.759 -6.157 120 HA SER 17 HA SER 17 -5.190 4.457 -6.182 121 HB2 SER 17 2HB SER 17 -5.665 3.926 -3.790 122 HB3 SER 17 1HB SER 17 -6.502 2.926 -4.981 123 HG SER 17 HG SER 17 -5.362 1.952 -3.086 124 H GLY 18 H GLY 18 -2.247 2.909 -5.789 125 HA2 GLY 18 2HA GLY 18 -0.925 5.281 -5.135 126 HA3 GLY 18 1HA GLY 18 -1.072 4.276 -3.695 127 H VAL 19 H VAL 19 1.370 4.914 -4.757 128 HA VAL 19 HA VAL 19 2.312 2.250 -5.336 129 HB VAL 19 HB VAL 19 4.052 3.179 -6.934 130 HG11 VAL 19 1HG1 VAL 19 2.345 1.753 -7.761 131 HG12 VAL 19 2HG1 VAL 19 2.513 3.091 -8.912 132 HG13 VAL 19 3HG1 VAL 19 1.186 3.072 -7.728 133 HG21 VAL 19 3HG2 VAL 19 3.744 5.539 -6.538 134 HG22 VAL 19 1HG2 VAL 19 2.079 5.444 -7.121 135 HG23 VAL 19 2HG2 VAL 19 3.421 5.170 -8.235 136 H CYS 20 H CYS 20 4.245 1.798 -4.621 137 HA CYS 20 HA CYS 20 5.894 3.866 -3.505 138 HB2 CYS 20 2HB CYS 20 6.248 2.327 -1.467 139 HB3 CYS 20 1HB CYS 20 4.815 3.364 -1.424 140 H GLU 21 H GLU 21 7.840 3.550 -4.243 141 HA GLU 21 HA GLU 21 8.470 0.861 -5.089 142 HB2 GLU 21 2HB GLU 21 8.689 2.550 -6.803 143 HB3 GLU 21 1HB GLU 21 9.732 3.514 -5.809 144 HG2 GLU 21 2HG GLU 21 10.526 0.729 -6.602 145 HG3 GLU 21 1HG GLU 21 10.749 2.057 -7.723 146 H ILE 22 H ILE 22 9.755 -0.289 -4.087 147 HA ILE 22 HA ILE 22 11.306 0.840 -1.874 148 HB ILE 22 HB ILE 22 9.538 -1.630 -1.619 149 HG12 ILE 22 2HG1 ILE 22 8.968 1.177 -0.556 150 HG13 ILE 22 1HG1 ILE 22 8.204 0.459 -1.958 151 HG21 ILE 22 1HG2 ILE 22 9.995 -1.397 0.746 152 HG22 ILE 22 2HG2 ILE 22 11.008 0.005 0.426 153 HG23 ILE 22 3HG2 ILE 22 11.494 -1.583 -0.171 154 HD11 ILE 22 3HD1 ILE 22 7.270 -1.265 -0.598 155 HD12 ILE 22 1HD1 ILE 22 6.821 0.335 0.012 156 HD13 ILE 22 2HD1 ILE 22 8.099 -0.601 0.813 157 H SER 23 H SER 23 13.213 -0.002 -1.846 158 HA SER 23 HA SER 23 15.113 -1.023 -2.487 159 HB2 SER 23 2HB SER 23 15.114 -3.520 -2.214 160 HB3 SER 23 1HB SER 23 14.338 -2.658 -0.889 161 HG SER 23 HG SER 23 12.420 -3.121 -2.520 162 H GLY 24 H GLY 24 13.500 -0.134 -4.786 163 HA2 GLY 24 2HA GLY 24 14.002 -0.153 -7.027 164 HA3 GLY 24 1HA GLY 24 14.988 -1.586 -6.786 165 H ARG 25 H ARG 25 11.843 -1.768 -5.474 166 HA ARG 25 HA ARG 25 10.867 -3.200 -7.821 167 HB2 ARG 25 2HB ARG 25 11.708 -4.600 -5.821 168 HB3 ARG 25 1HB ARG 25 10.375 -3.901 -4.934 169 HG2 ARG 25 2HG ARG 25 8.786 -4.904 -6.410 170 HG3 ARG 25 1HG ARG 25 10.120 -5.470 -7.434 171 HD2 ARG 25 2HD ARG 25 10.969 -6.824 -5.571 172 HD3 ARG 25 1HD ARG 25 9.618 -6.291 -4.571 173 HE ARG 25 HE ARG 25 8.875 -7.557 -7.043 174 HH11 ARG 25 1HH1 ARG 25 9.698 -8.146 -3.641 175 HH12 ARG 25 2HH1 ARG 25 8.788 -9.573 -3.539 176 HH21 ARG 25 1HH2 ARG 25 7.653 -9.508 -6.890 177 HH22 ARG 25 2HH2 ARG 25 7.605 -10.374 -5.419 178 H LEU 26 H LEU 26 8.625 -2.692 -8.275 179 HA LEU 26 HA LEU 26 7.773 -0.304 -6.861 180 HB2 LEU 26 2HB LEU 26 7.849 -0.843 -9.515 181 HB3 LEU 26 1HB LEU 26 6.228 -1.384 -9.132 182 HG LEU 26 HG LEU 26 5.830 0.767 -9.800 183 HD11 LEU 26 1HD1 LEU 26 4.770 0.452 -7.765 184 HD12 LEU 26 2HD1 LEU 26 5.246 2.140 -8.053 185 HD13 LEU 26 3HD1 LEU 26 6.165 1.161 -6.910 186 HD21 LEU 26 3HD2 LEU 26 8.378 1.611 -8.447 187 HD22 LEU 26 1HD2 LEU 26 7.235 2.720 -9.220 188 HD23 LEU 26 2HD2 LEU 26 8.062 1.497 -10.174 189 H TYR 27 H TYR 27 6.334 -0.530 -5.288 190 HA TYR 27 HA TYR 27 4.508 -2.771 -5.322 191 HB2 TYR 27 2HB TYR 27 5.545 -0.931 -3.222 192 HB3 TYR 27 1HB TYR 27 4.097 -1.819 -2.858 193 HD1 TYR 27 2HD TYR 27 7.719 -1.941 -3.320 194 HD2 TYR 27 1HD TYR 27 4.233 -4.301 -2.666 195 HE1 TYR 27 2HE TYR 27 9.134 -3.852 -2.631 196 HE2 TYR 27 1HE TYR 27 5.638 -6.200 -1.992 197 HH TYR 27 HH TYR 27 7.830 -7.014 -2.243 198 H ARG 28 H ARG 28 2.645 -2.421 -6.123 199 HA ARG 28 HA ARG 28 1.490 0.267 -6.263 200 HB2 ARG 28 2HB ARG 28 0.750 -2.350 -7.533 201 HB3 ARG 28 1HB ARG 28 -0.314 -0.957 -7.562 202 HG2 ARG 28 2HG ARG 28 1.183 0.272 -8.839 203 HG3 ARG 28 1HG ARG 28 2.479 -0.886 -8.640 204 HD2 ARG 28 2HD ARG 28 0.991 -2.564 -9.820 205 HD3 ARG 28 1HD ARG 28 -0.123 -1.279 -10.108 206 HE ARG 28 HE ARG 28 1.328 -0.257 -11.605 207 HH11 ARG 28 1HH1 ARG 28 2.819 -3.104 -10.187 208 HH12 ARG 28 2HH1 ARG 28 3.994 -3.284 -11.415 209 HH21 ARG 28 1HH2 ARG 28 2.937 -0.453 -13.242 210 HH22 ARG 28 2HH2 ARG 28 4.071 -1.728 -13.192 211 H LEU 29 H LEU 29 -0.551 0.626 -5.441 212 HA LEU 29 HA LEU 29 -1.414 -1.331 -3.447 213 HB2 LEU 29 2HB LEU 29 -1.963 1.638 -3.534 214 HB3 LEU 29 1HB LEU 29 -2.368 0.530 -2.239 215 HG LEU 29 HG LEU 29 0.411 1.367 -3.056 216 HD11 LEU 29 1HD1 LEU 29 -0.727 3.116 -1.859 217 HD12 LEU 29 2HD1 LEU 29 0.504 2.354 -0.826 218 HD13 LEU 29 3HD1 LEU 29 -1.193 1.970 -0.599 219 HD21 LEU 29 3HD2 LEU 29 0.456 -0.916 -2.306 220 HD22 LEU 29 1HD2 LEU 29 -0.483 -0.456 -0.859 221 HD23 LEU 29 2HD2 LEU 29 1.150 0.186 -1.108 222 H CYS 30 H CYS 30 -3.389 -2.179 -3.730 223 HA CYS 30 HA CYS 30 -5.321 -0.696 -5.300 224 HB2 CYS 30 2HB CYS 30 -6.144 -2.864 -6.348 225 HB3 CYS 30 1HB CYS 30 -4.477 -2.514 -6.776 226 H CYS 31 H CYS 31 -7.436 -0.926 -4.471 227 HA CYS 31 HA CYS 31 -7.392 -2.357 -1.943 228 HB2 CYS 31 2HB CYS 31 -6.814 0.101 -1.733 229 HB3 CYS 31 1HB CYS 31 -8.490 0.419 -2.166 230 H ARG 32 H ARG 32 -9.227 -3.194 -1.269 231 HA ARG 32 HA ARG 32 -11.565 -3.061 -3.056 232 HB2 ARG 32 2HB ARG 32 -11.958 -5.431 -2.457 233 HB3 ARG 32 1HB ARG 32 -10.410 -5.206 -3.254 234 HG2 ARG 32 2HG ARG 32 -9.276 -5.271 -1.074 235 HG3 ARG 32 1HG ARG 32 -10.837 -5.512 -0.292 236 HD2 ARG 32 2HD ARG 32 -9.576 -7.378 -2.302 237 HD3 ARG 32 1HD ARG 32 -9.555 -7.569 -0.545 238 HE ARG 32 HE ARG 32 -12.165 -7.399 -1.005 239 HH11 ARG 32 1HH1 ARG 32 -9.764 -9.338 -2.726 240 HH12 ARG 32 2HH1 ARG 32 -10.838 -10.615 -3.084 241 HH21 ARG 32 1HH2 ARG 32 -13.607 -9.127 -1.448 242 HH22 ARG 32 2HH2 ARG 32 -13.128 -10.494 -2.346 243 H1 ALA 101 H ALA 101 -9.248 7.181 -5.532 244 HA ALA 101 HA ALA 101 -9.484 5.947 -3.089 245 HB1 ALA 101 1HB ALA 101 -10.015 3.902 -4.369 246 HB2 ALA 101 2HB ALA 101 -8.481 3.757 -3.507 247 HB3 ALA 101 3HB ALA 101 -8.484 4.058 -5.235 248 H THR 102 H THR 102 -7.901 7.128 -2.167 249 HA THR 102 HA THR 102 -5.311 7.160 -3.561 250 HB THR 102 HB THR 102 -6.371 9.111 -1.494 251 HG1 THR 102 1HG THR 102 -7.112 8.979 -3.899 252 HG21 THR 102 3HG2 THR 102 -3.886 9.212 -3.221 253 HG22 THR 102 1HG2 THR 102 -3.909 8.870 -1.489 254 HG23 THR 102 2HG2 THR 102 -4.406 10.453 -2.081 255 H CYS 103 H CYS 103 -4.057 5.648 -2.669 256 HA CYS 103 HA CYS 103 -4.195 5.256 0.248 257 HB2 CYS 103 2HB CYS 103 -3.422 3.186 -1.830 258 HB3 CYS 103 1HB CYS 103 -3.588 2.931 -0.110 259 H TYR 104 H TYR 104 -2.032 4.656 1.163 260 HA TYR 104 HA TYR 104 0.167 4.869 -0.556 261 HB2 TYR 104 2HB TYR 104 1.284 6.792 0.592 262 HB3 TYR 104 1HB TYR 104 -0.084 7.220 -0.408 263 HD1 TYR 104 1HD TYR 104 1.207 7.033 3.019 264 HD2 TYR 104 2HD TYR 104 -2.086 8.142 0.573 265 HE1 TYR 104 1HE TYR 104 0.298 8.346 4.868 266 HE2 TYR 104 2HE TYR 104 -3.022 9.464 2.407 267 HH TYR 104 HH TYR 104 -1.225 10.275 5.158 268 H CYS 105 H CYS 105 2.085 4.304 0.267 269 HA CYS 105 HA CYS 105 1.857 2.420 2.423 270 HB2 CYS 105 2HB CYS 105 4.297 3.084 0.730 271 HB3 CYS 105 1HB CYS 105 3.917 1.613 1.629 272 H ARG 106 H ARG 106 2.479 2.991 4.484 273 HA ARG 106 HA ARG 106 4.569 5.013 4.754 274 HB2 ARG 106 2HB ARG 106 3.491 6.111 6.675 275 HB3 ARG 106 1HB ARG 106 2.462 6.234 5.264 276 HG2 ARG 106 2HG ARG 106 2.054 4.172 7.442 277 HG3 ARG 106 1HG ARG 106 1.330 5.786 7.411 278 HD2 ARG 106 2HD ARG 106 0.008 5.314 5.587 279 HD3 ARG 106 1HD ARG 106 1.024 3.965 5.090 280 HE ARG 106 HE ARG 106 -0.386 2.672 6.149 281 HH11 ARG 106 1HH1 ARG 106 -0.306 5.560 8.169 282 HH12 ARG 106 2HH1 ARG 106 -1.486 4.993 9.275 283 HH21 ARG 106 1HH2 ARG 106 -2.050 1.933 7.723 284 HH22 ARG 106 2HH2 ARG 106 -2.440 2.955 9.032 285 H THR 107 H THR 107 5.803 4.839 6.679 286 HA THR 107 HA THR 107 6.096 2.081 7.437 287 HB THR 107 HB THR 107 8.159 2.927 8.575 288 HG1 THR 107 1HG THR 107 8.122 5.299 7.213 289 HG21 THR 107 3HG2 THR 107 7.779 3.652 5.666 290 HG22 THR 107 1HG2 THR 107 8.221 2.062 6.286 291 HG23 THR 107 2HG2 THR 107 9.333 3.424 6.461 292 H GLY 108 H GLY 108 4.211 4.417 8.599 293 HA2 GLY 108 2HA GLY 108 4.047 3.168 11.189 294 HA3 GLY 108 1HA GLY 108 4.509 4.867 11.205 295 H ARG 109 H ARG 109 2.894 6.148 11.517 296 HA ARG 109 HA ARG 109 0.260 5.220 10.746 297 HB2 ARG 109 2HB ARG 109 -0.625 6.948 12.230 298 HB3 ARG 109 1HB ARG 109 0.534 5.940 13.079 299 HG2 ARG 109 2HG ARG 109 2.239 7.673 12.735 300 HG3 ARG 109 1HG ARG 109 1.011 8.687 11.973 301 HD2 ARG 109 2HD ARG 109 -0.317 8.539 14.071 302 HD3 ARG 109 1HD ARG 109 1.019 7.667 14.808 303 HE ARG 109 HE ARG 109 1.402 10.346 13.707 304 HH11 ARG 109 1HH1 ARG 109 1.616 8.103 16.469 305 HH12 ARG 109 2HH1 ARG 109 2.271 9.253 17.527 306 HH21 ARG 109 1HH2 ARG 109 2.300 11.927 15.205 307 HH22 ARG 109 2HH2 ARG 109 2.675 11.472 16.802 308 H CYS 110 H CYS 110 -1.192 7.378 10.130 309 HA CYS 110 HA CYS 110 0.399 9.118 8.453 310 HB2 CYS 110 2HB CYS 110 -1.127 8.778 6.499 311 HB3 CYS 110 1HB CYS 110 -0.280 7.295 6.905 312 H ALA 111 H ALA 111 -0.754 11.026 7.834 313 HA ALA 111 HA ALA 111 -2.441 11.869 9.957 314 HB1 ALA 111 1HB ALA 111 -1.578 13.372 7.496 315 HB2 ALA 111 2HB ALA 111 -0.721 13.351 9.043 316 HB3 ALA 111 3HB ALA 111 -2.336 14.056 8.934 317 H THR 112 H THR 112 -4.149 10.634 9.761 318 HA THR 112 HA THR 112 -6.432 11.639 8.811 319 HB THR 112 HB THR 112 -5.727 11.155 6.451 320 HG1 THR 112 1HG THR 112 -7.891 9.570 7.421 321 HG21 THR 112 3HG2 THR 112 -5.514 8.829 5.636 322 HG22 THR 112 1HG2 THR 112 -5.673 8.244 7.293 323 HG23 THR 112 2HG2 THR 112 -4.273 9.210 6.830 324 H ARG 113 H ARG 113 -4.562 8.722 9.322 325 HA ARG 113 HA ARG 113 -4.833 6.870 10.598 326 HB2 ARG 113 2HB ARG 113 -6.564 8.741 12.241 327 HB3 ARG 113 1HB ARG 113 -5.958 7.189 12.784 328 HG2 ARG 113 2HG ARG 113 -4.272 9.572 12.067 329 HG3 ARG 113 1HG ARG 113 -4.679 9.042 13.698 330 HD2 ARG 113 2HD ARG 113 -3.049 7.517 11.655 331 HD3 ARG 113 1HD ARG 113 -2.424 8.318 13.083 332 HE ARG 113 HE ARG 113 -4.018 5.861 13.004 333 HH11 ARG 113 1HH1 ARG 113 -2.193 8.177 14.979 334 HH12 ARG 113 2HH1 ARG 113 -1.861 7.060 16.220 335 HH21 ARG 113 1HH2 ARG 113 -3.543 4.314 14.746 336 HH22 ARG 113 2HH2 ARG 113 -2.640 4.857 16.078 337 H GLU 114 H GLU 114 -7.037 6.024 12.152 338 HA GLU 114 HA GLU 114 -8.962 5.001 12.198 339 HB2 GLU 114 2HB GLU 114 -9.695 6.600 9.754 340 HB3 GLU 114 1HB GLU 114 -10.811 5.598 10.668 341 HG2 GLU 114 2HG GLU 114 -10.398 6.997 12.649 342 HG3 GLU 114 1HG GLU 114 -9.345 8.023 11.677 343 H SER 115 H SER 115 -7.946 5.097 8.807 344 HA SER 115 HA SER 115 -8.756 2.301 8.760 345 HB2 SER 115 2HB SER 115 -10.047 3.724 7.248 346 HB3 SER 115 1HB SER 115 -8.568 4.218 6.435 347 HG SER 115 HG SER 115 -10.046 1.934 6.187 348 H LEU 116 H LEU 116 -6.749 1.523 9.606 349 HA LEU 116 HA LEU 116 -4.599 1.490 7.647 350 HB2 LEU 116 2HB LEU 116 -4.003 1.510 10.103 351 HB3 LEU 116 1HB LEU 116 -4.871 0.016 10.327 352 HG LEU 116 HG LEU 116 -2.196 0.281 8.815 353 HD11 LEU 116 1HD1 LEU 116 -2.059 0.714 11.170 354 HD12 LEU 116 2HD1 LEU 116 -1.304 -0.809 10.693 355 HD13 LEU 116 3HD1 LEU 116 -2.877 -0.816 11.496 356 HD21 LEU 116 3HD2 LEU 116 -3.637 -1.592 8.004 357 HD22 LEU 116 1HD2 LEU 116 -3.765 -2.158 9.672 358 HD23 LEU 116 2HD2 LEU 116 -2.195 -2.120 8.871 359 H SER 117 H SER 117 -4.792 0.226 6.083 360 HA SER 117 HA SER 117 -7.023 -1.687 6.131 361 HB2 SER 117 2HB SER 117 -7.021 -1.272 3.674 362 HB3 SER 117 1HB SER 117 -7.409 0.121 4.691 363 HG SER 117 HG SER 117 -5.903 0.487 2.972 364 H GLY 118 H GLY 118 -3.669 -1.644 5.973 365 HA2 GLY 118 2HA GLY 118 -3.515 -4.405 5.576 366 HA3 GLY 118 1HA GLY 118 -3.103 -3.569 4.081 367 H VAL 119 H VAL 119 -1.311 -5.122 5.414 368 HA VAL 119 HA VAL 119 0.699 -3.112 5.962 369 HB VAL 119 HB VAL 119 1.786 -4.722 7.621 370 HG11 VAL 119 1HG1 VAL 119 0.469 -3.926 9.537 371 HG12 VAL 119 2HG1 VAL 119 -0.782 -3.362 8.416 372 HG13 VAL 119 3HG1 VAL 119 0.847 -2.660 8.376 373 HG21 VAL 119 3HG2 VAL 119 -1.004 -5.830 7.707 374 HG22 VAL 119 1HG2 VAL 119 0.282 -6.226 8.852 375 HG23 VAL 119 2HG2 VAL 119 0.444 -6.682 7.152 376 H CYS 120 H CYS 120 2.647 -3.556 5.207 377 HA CYS 120 HA CYS 120 3.195 -6.191 4.194 378 HB2 CYS 120 2HB CYS 120 4.228 -5.076 2.129 379 HB3 CYS 120 1HB CYS 120 2.467 -5.244 2.101 380 H GLU 121 H GLU 121 5.006 -6.770 5.071 381 HA GLU 121 HA GLU 121 6.815 -4.643 5.822 382 HB2 GLU 121 2HB GLU 121 6.175 -6.151 7.610 383 HB3 GLU 121 1HB GLU 121 6.687 -7.533 6.694 384 HG2 GLU 121 2HG GLU 121 8.622 -5.370 7.476 385 HG3 GLU 121 1HG GLU 121 8.222 -6.663 8.584 386 H ILE 122 H ILE 122 8.497 -4.298 4.808 387 HA ILE 122 HA ILE 122 9.399 -6.198 2.770 388 HB ILE 122 HB ILE 122 9.005 -3.224 2.156 389 HG12 ILE 122 2HG1 ILE 122 7.166 -5.525 1.349 390 HG13 ILE 122 1HG1 ILE 122 6.824 -4.371 2.628 391 HG21 ILE 122 1HG2 ILE 122 10.704 -4.357 0.868 392 HG22 ILE 122 2HG2 ILE 122 9.312 -3.916 -0.118 393 HG23 ILE 122 3HG2 ILE 122 9.533 -5.588 0.392 394 HD11 ILE 122 3HD1 ILE 122 5.697 -3.836 0.566 395 HD12 ILE 122 1HD1 ILE 122 7.265 -3.708 -0.235 396 HD13 ILE 122 2HD1 ILE 122 6.843 -2.581 1.060 397 H SER 123 H SER 123 11.509 -6.269 2.739 398 HA SER 123 HA SER 123 13.707 -6.069 3.335 399 HB2 SER 123 2HB SER 123 14.717 -3.803 2.995 400 HB3 SER 123 1HB SER 123 13.640 -4.285 1.692 401 HG SER 123 HG SER 123 12.158 -3.037 3.434 402 H GLY 124 H GLY 124 11.828 -6.126 5.636 403 HA2 GLY 124 2HA GLY 124 12.185 -6.193 7.891 404 HA3 GLY 124 1HA GLY 124 13.750 -5.427 7.646 405 H ARG 125 H ARG 125 10.973 -3.967 6.251 406 HA ARG 125 HA ARG 125 10.878 -1.908 8.324 407 HB2 ARG 125 2HB ARG 125 12.281 -1.396 6.272 408 HB3 ARG 125 1HB ARG 125 10.838 -1.618 5.323 409 HG2 ARG 125 2HG ARG 125 9.814 0.297 6.388 410 HG3 ARG 125 1HG ARG 125 11.256 0.415 7.430 411 HD2 ARG 125 2HD ARG 125 12.675 0.752 5.474 412 HD3 ARG 125 1HD ARG 125 11.278 0.605 4.417 413 HE ARG 125 HE ARG 125 10.918 2.712 6.258 414 HH11 ARG 125 1HH1 ARG 125 12.767 1.886 3.366 415 HH12 ARG 125 2HH1 ARG 125 12.951 3.491 2.833 416 HH21 ARG 125 1HH2 ARG 125 11.110 4.946 5.508 417 HH22 ARG 125 2HH2 ARG 125 11.968 5.279 4.086 418 H LEU 126 H LEU 126 8.637 -1.335 8.756 419 HA LEU 126 HA LEU 126 6.758 -3.128 7.437 420 HB2 LEU 126 2HB LEU 126 6.989 -2.400 10.080 421 HB3 LEU 126 1HB LEU 126 5.767 -1.288 9.495 422 HG LEU 126 HG LEU 126 4.528 -3.015 10.350 423 HD11 LEU 126 1HD1 LEU 126 3.392 -4.114 8.630 424 HD12 LEU 126 2HD1 LEU 126 4.661 -3.694 7.492 425 HD13 LEU 126 3HD1 LEU 126 3.687 -2.406 8.254 426 HD21 LEU 126 3HD2 LEU 126 6.455 -4.932 9.088 427 HD22 LEU 126 1HD2 LEU 126 4.947 -5.406 9.887 428 HD23 LEU 126 2HD2 LEU 126 6.216 -4.602 10.801 429 H TYR 127 H TYR 127 5.457 -2.418 5.930 430 HA TYR 127 HA TYR 127 4.946 0.427 5.726 431 HB2 TYR 127 2HB TYR 127 5.136 -1.776 3.740 432 HB3 TYR 127 1HB TYR 127 4.302 -0.337 3.251 433 HD1 TYR 127 1HD TYR 127 5.657 1.854 3.316 434 HD2 TYR 127 2HD TYR 127 7.471 -1.977 3.694 435 HE1 TYR 127 1HE TYR 127 7.825 2.827 2.698 436 HE2 TYR 127 2HE TYR 127 9.652 -1.001 3.067 437 HH TYR 127 HH TYR 127 10.186 2.345 2.986 438 H ARG 128 H ARG 128 3.160 0.821 6.716 439 HA ARG 128 HA ARG 128 0.856 -0.979 6.681 440 HB2 ARG 128 2HB ARG 128 1.422 1.672 7.975 441 HB3 ARG 128 1HB ARG 128 -0.200 1.015 7.897 442 HG2 ARG 128 2HG ARG 128 0.330 -0.761 9.238 443 HG3 ARG 128 1HG ARG 128 2.052 -0.545 9.085 444 HD2 ARG 128 2HD ARG 128 1.731 1.689 10.258 445 HD3 ARG 128 1HD ARG 128 0.074 1.239 10.468 446 HE ARG 128 HE ARG 128 0.688 -0.543 11.887 447 HH11 ARG 128 1HH1 ARG 128 3.480 1.424 10.994 448 HH12 ARG 128 2HH1 ARG 128 4.340 1.126 12.444 449 HH21 ARG 128 1HH2 ARG 128 1.886 -0.971 13.868 450 HH22 ARG 128 2HH2 ARG 128 3.417 -0.254 14.089 451 H LEU 129 H LEU 129 -1.093 -0.356 5.792 452 HA LEU 129 HA LEU 129 -0.851 1.701 3.720 453 HB2 LEU 129 2HB LEU 129 -2.656 -0.711 3.796 454 HB3 LEU 129 1HB LEU 129 -2.487 0.427 2.475 455 HG LEU 129 HG LEU 129 -0.364 -1.479 3.444 456 HD11 LEU 129 1HD1 LEU 129 -2.033 -1.459 0.957 457 HD12 LEU 129 2HD1 LEU 129 -2.054 -2.669 2.257 458 HD13 LEU 129 3HD1 LEU 129 -0.626 -2.473 1.232 459 HD21 LEU 129 3HD2 LEU 129 0.893 -0.790 1.551 460 HD22 LEU 129 1HD2 LEU 129 0.616 0.583 2.630 461 HD23 LEU 129 2HD2 LEU 129 -0.334 0.404 1.120 462 H CYS 130 H CYS 130 -2.199 3.368 3.885 463 HA CYS 130 HA CYS 130 -4.728 2.976 5.214 464 HB2 CYS 130 2HB CYS 130 -4.555 5.306 6.258 465 HB3 CYS 130 1HB CYS 130 -3.312 4.204 6.846 466 H CYS 131 H CYS 131 -6.410 4.194 4.227 467 HA CYS 131 HA CYS 131 -5.527 5.410 1.749 468 HB2 CYS 131 2HB CYS 131 -6.002 2.927 1.486 469 HB3 CYS 131 1HB CYS 131 -7.680 3.328 1.829 470 H ARG 132 H ARG 132 -7.056 6.743 0.805 471 HA ARG 132 HA ARG 132 -9.324 7.435 2.466 472 HB2 ARG 132 2HB ARG 132 -8.914 9.830 1.976 473 HB3 ARG 132 1HB ARG 132 -7.583 9.111 2.864 474 HG2 ARG 132 2HG ARG 132 -6.360 8.894 0.694 475 HG3 ARG 132 1HG ARG 132 -7.682 9.791 -0.059 476 HD2 ARG 132 2HD ARG 132 -5.865 10.761 2.137 477 HD3 ARG 132 1HD ARG 132 -5.847 11.256 0.445 478 HE ARG 132 HE ARG 132 -8.377 11.823 1.257 479 HH11 ARG 132 1HH1 ARG 132 -5.177 12.723 2.495 480 HH12 ARG 132 2HH1 ARG 132 -5.693 14.211 3.136 481 HH21 ARG 132 1HH2 ARG 132 -9.072 13.843 2.132 482 HH22 ARG 132 2HH2 ARG 132 -7.961 14.898 2.899
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