NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
602331 | 2n7r | 25818 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 1HT ALA 1 0.331 30.794 10.296 2 HA ALA 1 HA ALA 1 1.918 29.623 11.388 3 HB1 ALA 1 2HB ALA 1 0.454 30.648 13.774 4 HB2 ALA 1 3HB ALA 1 2.185 30.635 13.438 5 HB3 ALA 1 1HB ALA 1 1.379 29.160 13.976 6 H SER 2 H SER 2 -1.366 29.131 12.701 7 HA SER 2 HA SER 2 -1.200 26.311 12.853 8 HB2 SER 2 2HB SER 2 -3.270 28.360 13.151 9 HB3 SER 2 1HB SER 2 -3.881 26.850 12.482 10 HG SER 2 HG SER 2 -3.771 27.035 14.855 11 H LYS 3 H LYS 3 -2.373 28.500 10.325 12 HA LYS 3 HA LYS 3 -3.419 26.550 8.586 13 HB2 LYS 3 2HB LYS 3 -2.177 29.238 7.959 14 HB3 LYS 3 1HB LYS 3 -3.133 28.279 6.829 15 HG2 LYS 3 2HG LYS 3 -4.468 28.611 9.407 16 HG3 LYS 3 1HG LYS 3 -4.132 30.156 8.633 17 HD2 LYS 3 2HD LYS 3 -5.409 27.854 7.141 18 HD3 LYS 3 1HD LYS 3 -6.361 29.040 8.029 19 HE2 LYS 3 2HE LYS 3 -6.086 30.609 6.427 20 HE3 LYS 3 1HE LYS 3 -4.353 30.296 6.313 21 HZ1 LYS 3 3HZ LYS 3 -5.387 29.738 4.246 22 HZ2 LYS 3 1HZ LYS 3 -6.526 28.745 5.017 23 HZ3 LYS 3 2HZ LYS 3 -4.887 28.298 4.998 24 H GLU 4 H GLU 4 -0.194 28.044 8.728 25 HA GLU 4 HA GLU 4 0.968 26.771 6.546 26 HB2 GLU 4 2HB GLU 4 1.876 28.553 8.320 27 HB3 GLU 4 1HB GLU 4 2.620 27.108 9.002 28 HG2 GLU 4 2HG GLU 4 3.596 26.581 6.784 29 HG3 GLU 4 1HG GLU 4 2.888 28.058 6.135 30 H LEU 5 H LEU 5 0.744 25.683 9.922 31 HA LEU 5 HA LEU 5 2.173 23.264 9.565 32 HB2 LEU 5 2HB LEU 5 0.078 24.049 11.603 33 HB3 LEU 5 1HB LEU 5 1.048 22.581 11.696 34 HG LEU 5 HG LEU 5 2.440 25.214 11.339 35 HD11 LEU 5 1HD1 LEU 5 1.135 24.187 13.858 36 HD12 LEU 5 2HD1 LEU 5 1.073 25.810 13.172 37 HD13 LEU 5 3HD1 LEU 5 2.557 25.227 13.923 38 HD21 LEU 5 3HD2 LEU 5 3.374 22.689 11.479 39 HD22 LEU 5 1HD2 LEU 5 3.334 23.062 13.200 40 HD23 LEU 5 2HD2 LEU 5 4.282 24.062 12.101 41 H GLU 6 H GLU 6 -1.284 24.044 9.428 42 HA GLU 6 HA GLU 6 -2.295 21.458 9.120 43 HB2 GLU 6 2HB GLU 6 -3.238 24.168 8.224 44 HB3 GLU 6 1HB GLU 6 -4.126 22.714 7.765 45 HG2 GLU 6 2HG GLU 6 -4.764 22.247 9.934 46 HG3 GLU 6 1HG GLU 6 -3.336 23.013 10.629 47 H LEU 7 H LEU 7 -1.158 23.769 6.668 48 HA LEU 7 HA LEU 7 -1.759 22.219 4.401 49 HB2 LEU 7 2HB LEU 7 -0.358 24.652 4.971 50 HB3 LEU 7 1HB LEU 7 0.632 23.667 3.894 51 HG LEU 7 HG LEU 7 -1.338 23.366 2.402 52 HD11 LEU 7 1HD1 LEU 7 -3.382 23.788 3.248 53 HD12 LEU 7 2HD1 LEU 7 -2.981 25.505 3.235 54 HD13 LEU 7 3HD1 LEU 7 -2.680 24.541 4.680 55 HD21 LEU 7 3HD2 LEU 7 -0.019 25.937 3.002 56 HD22 LEU 7 1HD2 LEU 7 -1.511 26.084 2.075 57 HD23 LEU 7 2HD2 LEU 7 -0.188 25.092 1.463 58 H ILE 8 H ILE 8 1.263 22.476 6.272 59 HA ILE 8 HA ILE 8 2.817 20.698 4.787 60 HB ILE 8 HB ILE 8 2.827 21.366 7.733 61 HG12 ILE 8 2HG1 ILE 8 4.823 22.092 5.579 62 HG13 ILE 8 1HG1 ILE 8 3.403 23.086 5.906 63 HG21 ILE 8 1HG2 ILE 8 3.949 19.342 7.815 64 HG22 ILE 8 2HG2 ILE 8 5.282 20.407 7.368 65 HG23 ILE 8 3HG2 ILE 8 4.472 19.444 6.133 66 HD11 ILE 8 3HD1 ILE 8 4.887 22.320 8.325 67 HD12 ILE 8 1HD1 ILE 8 4.276 23.900 7.835 68 HD13 ILE 8 2HD1 ILE 8 5.819 23.319 7.210 69 H THR 9 H THR 9 0.660 20.059 7.538 70 HA THR 9 HA THR 9 1.155 17.280 7.699 71 HB THR 9 HB THR 9 -1.266 18.905 8.515 72 HG1 THR 9 1HG THR 9 -0.075 18.154 10.599 73 HG21 THR 9 3HG2 THR 9 -1.615 16.873 10.046 74 HG22 THR 9 1HG2 THR 9 -0.512 16.016 8.967 75 HG23 THR 9 2HG2 THR 9 -2.030 16.662 8.344 76 H LEU 10 H LEU 10 -1.303 19.166 5.965 77 HA LEU 10 HA LEU 10 -2.822 17.044 4.966 78 HB2 LEU 10 2HB LEU 10 -2.608 19.867 4.520 79 HB3 LEU 10 1HB LEU 10 -2.694 19.050 2.960 80 HG LEU 10 HG LEU 10 -4.689 17.782 3.789 81 HD11 LEU 10 1HD1 LEU 10 -5.396 19.568 5.925 82 HD12 LEU 10 2HD1 LEU 10 -3.817 18.865 6.271 83 HD13 LEU 10 3HD1 LEU 10 -5.204 17.815 5.981 84 HD21 LEU 10 3HD2 LEU 10 -4.675 20.795 3.669 85 HD22 LEU 10 1HD2 LEU 10 -6.181 19.914 3.930 86 HD23 LEU 10 2HD2 LEU 10 -5.247 19.647 2.458 87 H THR 11 H THR 11 0.001 18.679 3.537 88 HA THR 11 HA THR 11 0.115 17.214 1.151 89 HB THR 11 HB THR 11 2.290 18.531 2.787 90 HG1 THR 11 1HG THR 11 1.881 19.643 0.451 91 HG21 THR 11 3HG2 THR 11 2.415 16.875 0.325 92 HG22 THR 11 1HG2 THR 11 3.654 17.184 1.540 93 HG23 THR 11 2HG2 THR 11 3.321 18.387 0.294 94 H VAL 12 H VAL 12 1.793 16.636 4.241 95 HA VAL 12 HA VAL 12 3.125 14.281 3.467 96 HB VAL 12 HB VAL 12 2.200 15.264 6.171 97 HG11 VAL 12 1HG1 VAL 12 4.110 13.560 6.842 98 HG12 VAL 12 2HG1 VAL 12 3.643 12.773 5.334 99 HG13 VAL 12 3HG1 VAL 12 2.453 12.998 6.617 100 HG21 VAL 12 3HG2 VAL 12 4.369 16.128 6.398 101 HG22 VAL 12 1HG2 VAL 12 4.021 16.437 4.698 102 HG23 VAL 12 2HG2 VAL 12 5.027 15.062 5.155 103 H GLY 13 H GLY 13 -0.125 14.836 4.614 104 HA2 GLY 13 2HA GLY 13 -0.768 12.114 5.197 105 HA3 GLY 13 1HA GLY 13 -1.909 13.442 5.020 106 H PHE 14 H PHE 14 -1.240 14.247 2.439 107 HA PHE 14 HA PHE 14 -2.749 12.373 0.900 108 HB2 PHE 14 2HB PHE 14 -2.893 14.812 0.509 109 HB3 PHE 14 1HB PHE 14 -1.207 14.819 -0.010 110 HD1 PHE 14 1HD PHE 14 -4.386 12.940 -0.700 111 HD2 PHE 14 2HD PHE 14 -0.784 14.649 -2.303 112 HE1 PHE 14 1HE PHE 14 -5.088 12.280 -2.985 113 HE2 PHE 14 2HE PHE 14 -1.488 13.990 -4.586 114 HZ PHE 14 HZ PHE 14 -3.640 12.805 -4.928 115 H GLY 15 H GLY 15 0.623 13.145 1.333 116 HA2 GLY 15 2HA GLY 15 1.578 11.723 -0.965 117 HA3 GLY 15 1HA GLY 15 2.544 12.242 0.413 118 H ILE 16 H ILE 16 0.979 10.897 2.411 119 HA ILE 16 HA ILE 16 2.237 8.329 2.280 120 HB ILE 16 HB ILE 16 0.208 9.520 4.176 121 HG12 ILE 16 2HG1 ILE 16 3.043 8.708 4.777 122 HG13 ILE 16 1HG1 ILE 16 2.721 10.249 3.981 123 HG21 ILE 16 1HG2 ILE 16 -0.253 7.286 4.539 124 HG22 ILE 16 2HG2 ILE 16 1.170 7.452 5.566 125 HG23 ILE 16 3HG2 ILE 16 1.324 6.757 3.954 126 HD11 ILE 16 3HD1 ILE 16 1.171 10.855 5.823 127 HD12 ILE 16 1HD1 ILE 16 2.808 10.563 6.411 128 HD13 ILE 16 2HD1 ILE 16 1.562 9.336 6.629 129 H LEU 17 H LEU 17 -1.012 9.535 1.713 130 HA LEU 17 HA LEU 17 -2.311 7.017 1.545 131 HB2 LEU 17 2HB LEU 17 -2.970 9.805 1.031 132 HB3 LEU 17 1HB LEU 17 -3.687 8.732 -0.173 133 HG LEU 17 HG LEU 17 -4.661 7.350 1.615 134 HD11 LEU 17 1HD1 LEU 17 -4.470 8.826 3.929 135 HD12 LEU 17 2HD1 LEU 17 -2.853 9.006 3.246 136 HD13 LEU 17 3HD1 LEU 17 -3.501 7.398 3.568 137 HD21 LEU 17 3HD2 LEU 17 -5.778 9.666 2.751 138 HD22 LEU 17 1HD2 LEU 17 -6.387 8.787 1.349 139 HD23 LEU 17 2HD2 LEU 17 -5.288 10.149 1.126 140 H ILE 18 H ILE 18 -0.747 9.073 -0.879 141 HA ILE 18 HA ILE 18 -1.442 7.544 -3.143 142 HB ILE 18 HB ILE 18 0.897 9.370 -2.575 143 HG12 ILE 18 2HG1 ILE 18 -1.491 9.774 -4.390 144 HG13 ILE 18 1HG1 ILE 18 -1.508 10.246 -2.692 145 HG21 ILE 18 1HG2 ILE 18 0.268 7.643 -4.913 146 HG22 ILE 18 2HG2 ILE 18 1.824 8.251 -4.348 147 HG23 ILE 18 3HG2 ILE 18 0.748 9.300 -5.272 148 HD11 ILE 18 3HD1 ILE 18 -0.579 11.804 -4.795 149 HD12 ILE 18 1HD1 ILE 18 0.899 11.158 -4.084 150 HD13 ILE 18 2HD1 ILE 18 -0.230 12.071 -3.086 151 H PHE 19 H PHE 19 1.306 7.380 -0.917 152 HA PHE 19 HA PHE 19 2.778 5.411 -2.303 153 HB2 PHE 19 2HB PHE 19 3.504 6.890 -0.318 154 HB3 PHE 19 1HB PHE 19 2.751 5.660 0.697 155 HD1 PHE 19 2HD PHE 19 5.094 5.923 -2.228 156 HD2 PHE 19 1HD PHE 19 4.061 3.854 1.394 157 HE1 PHE 19 2HE PHE 19 7.112 4.501 -2.463 158 HE2 PHE 19 1HE PHE 19 6.078 2.432 1.156 159 HZ PHE 19 HZ PHE 19 7.603 2.755 -0.772 160 H SER 20 H SER 20 0.321 5.168 0.246 161 HA SER 20 HA SER 20 0.450 2.346 0.488 162 HB2 SER 20 2HB SER 20 -2.175 3.268 1.113 163 HB3 SER 20 1HB SER 20 -0.887 2.797 2.218 164 HG SER 20 HG SER 20 -1.822 5.116 2.107 165 H LEU 21 H LEU 21 -1.581 4.499 -1.480 166 HA LEU 21 HA LEU 21 -3.343 2.605 -2.507 167 HB2 LEU 21 2HB LEU 21 -3.580 5.040 -2.780 168 HB3 LEU 21 1HB LEU 21 -2.189 5.054 -3.858 169 HG LEU 21 HG LEU 21 -4.043 3.027 -4.701 170 HD11 LEU 21 1HD1 LEU 21 -5.879 4.600 -5.387 171 HD12 LEU 21 2HD1 LEU 21 -5.163 5.811 -4.324 172 HD13 LEU 21 3HD1 LEU 21 -5.793 4.309 -3.650 173 HD21 LEU 21 3HD2 LEU 21 -3.316 5.654 -6.020 174 HD22 LEU 21 1HD2 LEU 21 -3.845 4.172 -6.815 175 HD23 LEU 21 2HD2 LEU 21 -2.266 4.234 -6.032 176 H ILE 22 H ILE 22 -0.099 3.556 -3.560 177 HA ILE 22 HA ILE 22 -0.109 1.967 -5.931 178 HB ILE 22 HB ILE 22 2.176 3.106 -4.306 179 HG12 ILE 22 2HG1 ILE 22 1.289 4.048 -7.011 180 HG13 ILE 22 1HG1 ILE 22 0.357 4.538 -5.596 181 HG21 ILE 22 1HG2 ILE 22 3.071 1.280 -5.583 182 HG22 ILE 22 2HG2 ILE 22 3.438 2.746 -6.489 183 HG23 ILE 22 3HG2 ILE 22 2.103 1.709 -6.992 184 HD11 ILE 22 3HD1 ILE 22 2.210 6.137 -6.242 185 HD12 ILE 22 1HD1 ILE 22 3.360 4.872 -5.804 186 HD13 ILE 22 2HD1 ILE 22 2.288 5.554 -4.581 187 H VAL 23 H VAL 23 0.817 1.389 -2.596 188 HA VAL 23 HA VAL 23 2.136 -1.097 -3.065 189 HB VAL 23 HB VAL 23 0.858 -0.033 -0.532 190 HG11 VAL 23 1HG1 VAL 23 2.592 -2.393 -1.177 191 HG12 VAL 23 2HG1 VAL 23 1.232 -2.278 -0.064 192 HG13 VAL 23 3HG1 VAL 23 2.793 -1.587 0.377 193 HG21 VAL 23 3HG2 VAL 23 2.739 1.206 -0.171 194 HG22 VAL 23 1HG2 VAL 23 2.933 1.101 -1.919 195 HG23 VAL 23 2HG2 VAL 23 3.797 -0.019 -0.869 196 H THR 24 H THR 24 -1.111 -0.264 -1.848 197 HA THR 24 HA THR 24 -2.038 -2.921 -1.622 198 HB THR 24 HB THR 24 -3.580 -0.358 -2.078 199 HG1 THR 24 1HG THR 24 -3.668 -1.555 0.358 200 HG21 THR 24 3HG2 THR 24 -4.442 -3.143 -1.268 201 HG22 THR 24 1HG2 THR 24 -5.008 -2.203 -2.649 202 HG23 THR 24 2HG2 THR 24 -5.442 -1.712 -1.012 203 H TYR 25 H TYR 25 -1.976 -0.640 -4.292 204 HA TYR 25 HA TYR 25 -3.705 -2.030 -6.040 205 HB2 TYR 25 2HB TYR 25 -3.025 0.302 -6.418 206 HB3 TYR 25 1HB TYR 25 -1.366 -0.224 -6.698 207 HD1 TYR 25 2HD TYR 25 -4.857 -0.908 -7.886 208 HD2 TYR 25 1HD TYR 25 -0.683 -0.701 -8.885 209 HE1 TYR 25 2HE TYR 25 -5.402 -1.360 -10.263 210 HE2 TYR 25 1HE TYR 25 -1.229 -1.152 -11.261 211 HH TYR 25 HH TYR 25 -3.378 -2.432 -12.441 212 H CYS 26 H CYS 26 -0.163 -2.075 -5.709 213 HA CYS 26 HA CYS 26 0.381 -3.930 -7.741 214 HB2 CYS 26 2HB CYS 26 1.859 -3.509 -5.131 215 HB3 CYS 26 1HB CYS 26 2.501 -4.319 -6.560 216 HG CYS 26 HG CYS 26 2.292 -1.304 -6.185 217 H ILE 27 H ILE 27 -0.581 -4.369 -4.379 218 HA ILE 27 HA ILE 27 -0.154 -7.196 -4.325 219 HB ILE 27 HB ILE 27 -1.895 -5.418 -2.602 220 HG12 ILE 27 2HG1 ILE 27 0.775 -6.713 -1.992 221 HG13 ILE 27 1HG1 ILE 27 0.632 -5.076 -2.624 222 HG21 ILE 27 1HG2 ILE 27 -1.431 -8.352 -2.676 223 HG22 ILE 27 2HG2 ILE 27 -2.813 -7.447 -2.058 224 HG23 ILE 27 3HG2 ILE 27 -1.349 -7.595 -1.085 225 HD11 ILE 27 3HD1 ILE 27 -0.385 -4.272 -0.679 226 HD12 ILE 27 1HD1 ILE 27 0.748 -5.452 -0.026 227 HD13 ILE 27 2HD1 ILE 27 -0.956 -5.867 -0.199 228 H ASN 28 H ASN 28 -2.992 -5.150 -4.924 229 HA ASN 28 HA ASN 28 -4.965 -7.093 -5.076 230 HB2 ASN 28 2HB ASN 28 -4.591 -4.530 -6.631 231 HB3 ASN 28 1HB ASN 28 -6.043 -5.521 -6.758 232 HD21 ASN 28 1HD2 ASN 28 -5.817 -2.772 -5.605 233 HD22 ASN 28 2HD2 ASN 28 -6.349 -2.905 -3.997 234 H ALA 29 H ALA 29 -2.645 -6.065 -7.553 235 HA ALA 29 HA ALA 29 -3.717 -7.742 -9.606 236 HB1 ALA 29 1HB ALA 29 -2.030 -6.921 -10.940 237 HB2 ALA 29 2HB ALA 29 -0.852 -6.908 -9.627 238 HB3 ALA 29 3HB ALA 29 -2.090 -5.655 -9.715 239 H LYS 30 H LYS 30 -1.013 -8.048 -7.340 240 HA LYS 30 HA LYS 30 0.001 -10.492 -8.293 241 HB2 LYS 30 2HB LYS 30 0.072 -9.184 -5.575 242 HB3 LYS 30 1HB LYS 30 0.869 -10.724 -5.903 243 HG2 LYS 30 2HG LYS 30 2.253 -9.730 -7.609 244 HG3 LYS 30 1HG LYS 30 1.346 -8.218 -7.534 245 HD2 LYS 30 2HD LYS 30 2.154 -7.741 -5.326 246 HD3 LYS 30 1HD LYS 30 2.835 -9.361 -5.160 247 HE2 LYS 30 2HE LYS 30 3.834 -7.980 -7.533 248 HE3 LYS 30 1HE LYS 30 4.202 -7.105 -6.047 249 HZ1 LYS 30 3HZ LYS 30 4.858 -9.473 -5.223 250 HZ2 LYS 30 1HZ LYS 30 5.947 -8.556 -6.147 251 HZ3 LYS 30 2HZ LYS 30 5.041 -9.789 -6.883 252 H ALA 31 H ALA 31 -2.829 -9.749 -6.450 253 HA ALA 31 HA ALA 31 -3.166 -12.483 -5.506 254 HB1 ALA 31 1HB ALA 31 -5.265 -10.357 -5.293 255 HB2 ALA 31 2HB ALA 31 -3.836 -10.291 -4.262 256 HB3 ALA 31 3HB ALA 31 -4.912 -11.687 -4.189 257 H ASP 32 H ASP 32 -4.402 -10.350 -7.969 258 HA ASP 32 HA ASP 32 -6.607 -11.990 -8.742 259 HB2 ASP 32 2HB ASP 32 -5.145 -9.776 -10.179 260 HB3 ASP 32 1HB ASP 32 -6.589 -10.565 -10.809 261 H VAL 33 H VAL 33 -3.244 -12.048 -9.372 262 HA VAL 33 HA VAL 33 -3.331 -13.484 -11.848 263 HB VAL 33 HB VAL 33 -1.124 -13.220 -9.788 264 HG11 VAL 33 1HG1 VAL 33 -0.408 -15.061 -11.008 265 HG12 VAL 33 2HG1 VAL 33 0.190 -13.766 -12.038 266 HG13 VAL 33 3HG1 VAL 33 -1.315 -14.591 -12.444 267 HG21 VAL 33 3HG2 VAL 33 -0.956 -11.912 -12.435 268 HG22 VAL 33 1HG2 VAL 33 -0.523 -11.287 -10.843 269 HG23 VAL 33 2HG2 VAL 33 -2.206 -11.268 -11.369 270 H LEU 34 H LEU 34 -3.790 -14.343 -8.556 271 HA LEU 34 HA LEU 34 -3.293 -17.186 -9.108 272 HB2 LEU 34 2HB LEU 34 -3.633 -15.628 -6.560 273 HB3 LEU 34 1HB LEU 34 -3.672 -17.391 -6.597 274 HG LEU 34 HG LEU 34 -1.436 -17.415 -7.654 275 HD11 LEU 34 1HD1 LEU 34 -1.886 -14.463 -7.588 276 HD12 LEU 34 2HD1 LEU 34 -1.101 -15.445 -8.818 277 HD13 LEU 34 3HD1 LEU 34 -0.249 -15.053 -7.331 278 HD21 LEU 34 3HD2 LEU 34 -0.930 -17.634 -5.463 279 HD22 LEU 34 1HD2 LEU 34 -2.070 -16.371 -4.994 280 HD23 LEU 34 2HD2 LEU 34 -0.445 -15.940 -5.535 281 H PHE 35 H PHE 35 -5.700 -15.175 -7.511 282 HA PHE 35 HA PHE 35 -7.717 -17.242 -7.657 283 HB2 PHE 35 2HB PHE 35 -7.704 -14.395 -6.717 284 HB3 PHE 35 1HB PHE 35 -9.194 -15.310 -6.854 285 HD1 PHE 35 2HD PHE 35 -5.793 -15.390 -5.340 286 HD2 PHE 35 1HD PHE 35 -9.822 -16.870 -5.174 287 HE1 PHE 35 2HE PHE 35 -5.294 -16.507 -3.185 288 HE2 PHE 35 1HE PHE 35 -9.322 -17.987 -3.018 289 HZ PHE 35 HZ PHE 35 -7.059 -17.806 -2.022 290 H ILE 36 H ILE 36 -6.552 -16.148 -10.149 291 HA ILE 36 HA ILE 36 -8.004 -14.454 -11.671 292 HB ILE 36 HB ILE 36 -7.057 -17.206 -12.496 293 HG12 ILE 36 2HG1 ILE 36 -5.793 -14.496 -12.963 294 HG13 ILE 36 1HG1 ILE 36 -5.377 -15.522 -11.593 295 HG21 ILE 36 1HG2 ILE 36 -8.436 -15.026 -13.947 296 HG22 ILE 36 2HG2 ILE 36 -8.311 -16.740 -14.348 297 HG23 ILE 36 3HG2 ILE 36 -6.985 -15.644 -14.737 298 HD11 ILE 36 3HD1 ILE 36 -4.855 -17.364 -13.263 299 HD12 ILE 36 1HD1 ILE 36 -3.765 -15.980 -13.316 300 HD13 ILE 36 2HD1 ILE 36 -5.027 -16.154 -14.534 301 H ALA 37 H ALA 37 -8.772 -17.713 -12.519 302 HA ALA 37 HA ALA 37 -11.627 -17.038 -12.382 303 HB1 ALA 37 1HB ALA 37 -11.259 -19.519 -13.694 304 HB2 ALA 37 2HB ALA 37 -10.011 -18.430 -14.300 305 HB3 ALA 37 3HB ALA 37 -11.712 -17.974 -14.411 306 HA PRO 38 HA PRO 38 -12.937 -19.746 -9.181 307 HB2 PRO 38 2HB PRO 38 -14.115 -21.550 -11.257 308 HB3 PRO 38 1HB PRO 38 -14.861 -20.881 -9.791 309 HG2 PRO 38 2HG PRO 38 -15.327 -19.912 -12.268 310 HG3 PRO 38 1HG PRO 38 -15.410 -18.927 -10.803 311 HD2 PRO 38 2HD PRO 38 -13.442 -18.822 -12.980 312 HD3 PRO 38 1HD PRO 38 -13.742 -17.648 -11.678 313 H ARG 39 H ARG 39 -12.135 -21.523 -8.089 314 HA ARG 39 HA ARG 39 -9.871 -22.874 -9.238 315 HB2 ARG 39 2HB ARG 39 -9.708 -23.981 -7.056 316 HB3 ARG 39 1HB ARG 39 -9.933 -22.243 -6.857 317 HG2 ARG 39 2HG ARG 39 -12.387 -22.642 -6.556 318 HG3 ARG 39 1HG ARG 39 -12.076 -24.376 -6.614 319 HD2 ARG 39 2HD ARG 39 -11.631 -24.330 -4.413 320 HD3 ARG 39 1HD ARG 39 -10.235 -23.315 -4.754 321 HE ARG 39 HE ARG 39 -12.829 -22.429 -3.760 322 HH11 ARG 39 1HH2 ARG 39 -9.786 -21.629 -5.200 323 HH12 ARG 39 2HH2 ARG 39 -9.838 -19.968 -4.722 324 HH21 ARG 39 1HH1 ARG 39 -12.900 -20.251 -3.120 325 HH22 ARG 39 2HH1 ARG 39 -11.598 -19.188 -3.540 326 H GLU 40 H GLU 40 -9.640 -25.124 -9.548 327 HA GLU 40 HA GLU 40 -12.192 -26.524 -10.056 328 HB2 GLU 40 2HB GLU 40 -10.122 -27.819 -11.460 329 HB3 GLU 40 1HB GLU 40 -11.425 -26.840 -12.134 330 HG2 GLU 40 2HG GLU 40 -10.086 -24.820 -11.919 331 HG3 GLU 40 1HG GLU 40 -8.809 -25.713 -11.092 332 HA PRO 41 HA PRO 41 -11.478 -29.925 -7.371 333 HB2 PRO 41 2HB PRO 41 -10.905 -31.624 -9.766 334 HB3 PRO 41 1HB PRO 41 -12.010 -31.923 -8.412 335 HG2 PRO 41 2HG PRO 41 -12.843 -31.100 -10.840 336 HG3 PRO 41 1HG PRO 41 -13.689 -30.705 -9.339 337 HD2 PRO 41 2HD PRO 41 -12.173 -28.925 -11.121 338 HD3 PRO 41 1HD PRO 41 -13.317 -28.514 -9.826 339 H GLY 42 H GLY 42 -9.730 -30.707 -6.258 340 HA2 GLY 42 2HA GLY 42 -7.548 -31.711 -6.135 341 HA3 GLY 42 1HA GLY 42 -7.136 -30.911 -7.649 342 H ALA 43 H ALA 43 -8.189 -28.336 -6.962 343 HA ALA 43 HA ALA 43 -5.983 -27.079 -5.858 344 HB1 ALA 43 1HB ALA 43 -7.395 -25.123 -5.584 345 HB2 ALA 43 2HB ALA 43 -8.848 -26.119 -5.666 346 HB3 ALA 43 3HB ALA 43 -7.823 -25.937 -7.089 347 H VAL 44 H VAL 44 -5.608 -26.095 -3.806 348 HA VAL 44 HA VAL 44 -6.612 -27.722 -1.588 349 HB VAL 44 HB VAL 44 -4.375 -25.691 -1.770 350 HG11 VAL 44 1HG1 VAL 44 -3.989 -27.091 0.552 351 HG12 VAL 44 2HG1 VAL 44 -5.746 -26.941 0.528 352 HG13 VAL 44 3HG1 VAL 44 -4.738 -25.496 0.469 353 HG21 VAL 44 3HG2 VAL 44 -2.963 -27.700 -1.431 354 HG22 VAL 44 1HG2 VAL 44 -3.939 -27.842 -2.893 355 HG23 VAL 44 2HG2 VAL 44 -4.408 -28.709 -1.430 356 H SER 45 H SER 45 -8.305 -27.046 -0.454 357 HA SER 45 HA SER 45 -9.374 -24.407 -0.686 358 HB2 SER 45 2HB SER 45 -10.339 -26.865 0.152 359 HB3 SER 45 1HB SER 45 -10.277 -25.924 1.641 360 HG SER 45 HG SER 45 -11.805 -25.575 -0.654 361 H TYR 46 H TYR 46 -9.671 -22.885 1.053 362 HA TYR 46 HA TYR 46 -7.263 -22.412 2.523 363 HB2 TYR 46 2HB TYR 46 -8.959 -20.694 1.583 364 HB3 TYR 46 1HB TYR 46 -9.872 -21.015 3.059 365 HD1 TYR 46 1HD TYR 46 -6.680 -19.733 1.696 366 HD2 TYR 46 2HD TYR 46 -9.069 -20.296 5.221 367 HE1 TYR 46 1HE TYR 46 -5.169 -18.225 2.961 368 HE2 TYR 46 2HE TYR 46 -7.560 -18.788 6.485 369 HH TYR 46 HH TYR 46 -5.709 -16.666 5.350 Start of MODEL 2 1 H ALA 1 1HT ALA 1 0.268 30.673 10.964 2 HA ALA 1 HA ALA 1 2.715 29.696 10.560 3 HB1 ALA 1 2HB ALA 1 2.926 28.878 13.196 4 HB2 ALA 1 3HB ALA 1 2.524 30.589 13.347 5 HB3 ALA 1 1HB ALA 1 3.941 30.093 12.421 6 H SER 2 H SER 2 -0.183 29.456 12.551 7 HA SER 2 HA SER 2 -0.368 26.672 12.781 8 HB2 SER 2 2HB SER 2 -2.535 28.770 12.588 9 HB3 SER 2 1HB SER 2 -2.836 27.084 12.998 10 HG SER 2 HG SER 2 -1.097 28.867 14.371 11 H LYS 3 H LYS 3 -1.510 28.847 10.218 12 HA LYS 3 HA LYS 3 -2.836 26.902 8.662 13 HB2 LYS 3 2HB LYS 3 -1.424 29.236 7.411 14 HB3 LYS 3 1HB LYS 3 -2.999 28.542 7.020 15 HG2 LYS 3 2HG LYS 3 -3.659 29.289 9.431 16 HG3 LYS 3 1HG LYS 3 -2.252 30.345 9.311 17 HD2 LYS 3 2HD LYS 3 -3.155 31.334 7.245 18 HD3 LYS 3 1HD LYS 3 -4.559 30.272 7.345 19 HE2 LYS 3 2HE LYS 3 -4.265 31.568 9.871 20 HE3 LYS 3 1HE LYS 3 -4.172 32.802 8.615 21 HZ1 LYS 3 3HZ LYS 3 -6.190 31.398 7.686 22 HZ2 LYS 3 1HZ LYS 3 -6.408 32.654 8.803 23 HZ3 LYS 3 2HZ LYS 3 -6.384 31.041 9.335 24 H GLU 4 H GLU 4 0.491 28.162 8.497 25 HA GLU 4 HA GLU 4 1.377 26.718 6.282 26 HB2 GLU 4 2HB GLU 4 2.775 27.775 8.729 27 HB3 GLU 4 1HB GLU 4 3.657 26.870 7.499 28 HG2 GLU 4 2HG GLU 4 1.870 29.143 6.680 29 HG3 GLU 4 1HG GLU 4 3.486 29.481 7.300 30 H LEU 5 H LEU 5 1.436 25.816 9.726 31 HA LEU 5 HA LEU 5 2.680 23.316 9.430 32 HB2 LEU 5 2HB LEU 5 0.821 24.461 11.491 33 HB3 LEU 5 1HB LEU 5 1.378 22.792 11.600 34 HG LEU 5 HG LEU 5 3.458 24.855 11.073 35 HD11 LEU 5 1HD1 LEU 5 2.278 26.061 12.761 36 HD12 LEU 5 2HD1 LEU 5 3.584 25.229 13.603 37 HD13 LEU 5 3HD1 LEU 5 1.942 24.594 13.676 38 HD21 LEU 5 3HD2 LEU 5 4.832 23.330 12.196 39 HD22 LEU 5 1HD2 LEU 5 3.644 22.257 11.456 40 HD23 LEU 5 2HD2 LEU 5 3.502 22.690 13.160 41 H GLU 6 H GLU 6 -0.769 24.174 9.496 42 HA GLU 6 HA GLU 6 -1.795 21.573 9.212 43 HB2 GLU 6 2HB GLU 6 -2.880 24.281 8.444 44 HB3 GLU 6 1HB GLU 6 -3.798 22.799 8.205 45 HG2 GLU 6 2HG GLU 6 -2.558 23.403 10.883 46 HG3 GLU 6 1HG GLU 6 -4.105 24.121 10.439 47 H LEU 7 H LEU 7 -0.804 23.969 6.797 48 HA LEU 7 HA LEU 7 -1.694 22.620 4.505 49 HB2 LEU 7 2HB LEU 7 -0.832 24.987 4.610 50 HB3 LEU 7 1HB LEU 7 0.799 24.324 4.706 51 HG LEU 7 HG LEU 7 -0.501 22.997 2.555 52 HD11 LEU 7 1HD1 LEU 7 -2.092 24.927 2.608 53 HD12 LEU 7 2HD1 LEU 7 -1.151 24.852 1.120 54 HD13 LEU 7 3HD1 LEU 7 -0.725 26.015 2.377 55 HD21 LEU 7 3HD2 LEU 7 1.266 24.145 1.239 56 HD22 LEU 7 1HD2 LEU 7 1.902 23.448 2.728 57 HD23 LEU 7 2HD2 LEU 7 1.601 25.183 2.626 58 H ILE 8 H ILE 8 1.460 22.513 6.160 59 HA ILE 8 HA ILE 8 2.656 20.646 4.394 60 HB ILE 8 HB ILE 8 3.271 21.243 7.296 61 HG12 ILE 8 2HG1 ILE 8 4.876 22.205 4.953 62 HG13 ILE 8 1HG1 ILE 8 3.375 23.046 5.345 63 HG21 ILE 8 1HG2 ILE 8 4.408 19.248 6.913 64 HG22 ILE 8 2HG2 ILE 8 5.601 20.423 6.357 65 HG23 ILE 8 3HG2 ILE 8 4.594 19.567 5.188 66 HD11 ILE 8 3HD1 ILE 8 5.657 22.533 7.278 67 HD12 ILE 8 1HD1 ILE 8 4.164 23.386 7.652 68 HD13 ILE 8 2HD1 ILE 8 5.301 24.076 6.502 69 H THR 9 H THR 9 0.727 20.293 7.321 70 HA THR 9 HA THR 9 1.158 17.537 7.749 71 HB THR 9 HB THR 9 -1.228 19.274 8.421 72 HG1 THR 9 1HG THR 9 0.703 19.894 9.415 73 HG21 THR 9 3HG2 THR 9 -0.526 16.422 9.045 74 HG22 THR 9 1HG2 THR 9 -2.089 17.113 8.608 75 HG23 THR 9 2HG2 THR 9 -1.431 17.377 10.222 76 H LEU 10 H LEU 10 -1.385 19.268 5.952 77 HA LEU 10 HA LEU 10 -2.865 17.020 5.150 78 HB2 LEU 10 2HB LEU 10 -3.475 19.503 4.936 79 HB3 LEU 10 1HB LEU 10 -2.512 19.494 3.461 80 HG LEU 10 HG LEU 10 -4.001 17.278 3.033 81 HD11 LEU 10 1HD1 LEU 10 -6.024 19.132 4.254 82 HD12 LEU 10 2HD1 LEU 10 -5.183 17.973 5.287 83 HD13 LEU 10 3HD1 LEU 10 -6.150 17.404 3.930 84 HD21 LEU 10 3HD2 LEU 10 -4.751 20.164 2.470 85 HD22 LEU 10 1HD2 LEU 10 -5.493 18.778 1.673 86 HD23 LEU 10 2HD2 LEU 10 -3.777 19.108 1.449 87 H THR 11 H THR 11 -0.024 18.573 3.736 88 HA THR 11 HA THR 11 0.029 17.200 1.284 89 HB THR 11 HB THR 11 2.265 18.328 2.981 90 HG1 THR 11 1HG THR 11 2.114 19.993 1.471 91 HG21 THR 11 3HG2 THR 11 3.569 17.011 1.652 92 HG22 THR 11 1HG2 THR 11 3.244 18.256 0.448 93 HG23 THR 11 2HG2 THR 11 2.292 16.774 0.459 94 H VAL 12 H VAL 12 1.761 16.460 4.321 95 HA VAL 12 HA VAL 12 2.898 14.036 3.463 96 HB VAL 12 HB VAL 12 2.064 14.769 6.280 97 HG11 VAL 12 1HG1 VAL 12 3.060 12.837 6.865 98 HG12 VAL 12 2HG1 VAL 12 4.535 13.323 6.029 99 HG13 VAL 12 3HG1 VAL 12 3.277 12.451 5.158 100 HG21 VAL 12 3HG2 VAL 12 3.512 16.491 6.002 101 HG22 VAL 12 1HG2 VAL 12 4.107 15.849 4.471 102 HG23 VAL 12 2HG2 VAL 12 4.777 15.263 5.993 103 H GLY 13 H GLY 13 -0.275 14.797 4.713 104 HA2 GLY 13 2HA GLY 13 -1.100 12.136 5.296 105 HA3 GLY 13 1HA GLY 13 -2.165 13.521 5.078 106 H PHE 14 H PHE 14 -1.582 14.270 2.503 107 HA PHE 14 HA PHE 14 -3.062 12.368 0.976 108 HB2 PHE 14 2HB PHE 14 -3.329 14.712 0.482 109 HB3 PHE 14 1HB PHE 14 -1.602 14.887 0.167 110 HD1 PHE 14 2HD PHE 14 -4.718 13.241 -1.029 111 HD2 PHE 14 1HD PHE 14 -0.658 14.309 -1.942 112 HE1 PHE 14 2HE PHE 14 -5.077 12.586 -3.393 113 HE2 PHE 14 1HE PHE 14 -1.019 13.654 -4.308 114 HZ PHE 14 HZ PHE 14 -3.228 12.793 -5.034 115 H GLY 15 H GLY 15 0.321 13.143 1.384 116 HA2 GLY 15 2HA GLY 15 1.288 11.733 -0.922 117 HA3 GLY 15 1HA GLY 15 2.247 12.227 0.471 118 H ILE 16 H ILE 16 0.656 10.869 2.446 119 HA ILE 16 HA ILE 16 1.879 8.265 2.287 120 HB ILE 16 HB ILE 16 -0.066 9.511 4.227 121 HG12 ILE 16 2HG1 ILE 16 2.758 8.591 4.747 122 HG13 ILE 16 1HG1 ILE 16 2.459 10.164 4.007 123 HG21 ILE 16 1HG2 ILE 16 1.069 6.729 4.072 124 HG22 ILE 16 2HG2 ILE 16 -0.582 7.231 4.429 125 HG23 ILE 16 3HG2 ILE 16 0.687 7.451 5.634 126 HD11 ILE 16 3HD1 ILE 16 0.937 10.715 5.924 127 HD12 ILE 16 1HD1 ILE 16 2.611 10.460 6.413 128 HD13 ILE 16 2HD1 ILE 16 1.413 9.194 6.682 129 H LEU 17 H LEU 17 -1.371 9.543 1.821 130 HA LEU 17 HA LEU 17 -2.731 7.055 1.674 131 HB2 LEU 17 2HB LEU 17 -3.759 9.375 1.893 132 HB3 LEU 17 1HB LEU 17 -3.489 9.558 0.163 133 HG LEU 17 HG LEU 17 -4.666 7.076 0.283 134 HD11 LEU 17 1HD1 LEU 17 -6.674 7.395 1.726 135 HD12 LEU 17 2HD1 LEU 17 -5.958 8.868 2.369 136 HD13 LEU 17 3HD1 LEU 17 -5.182 7.309 2.661 137 HD21 LEU 17 3HD2 LEU 17 -5.226 8.833 -1.315 138 HD22 LEU 17 1HD2 LEU 17 -5.958 9.803 -0.036 139 HD23 LEU 17 2HD2 LEU 17 -6.705 8.282 -0.526 140 H ILE 18 H ILE 18 -1.227 9.094 -0.813 141 HA ILE 18 HA ILE 18 -1.965 7.514 -3.030 142 HB ILE 18 HB ILE 18 0.380 9.377 -2.598 143 HG12 ILE 18 2HG1 ILE 18 -2.178 10.083 -2.644 144 HG13 ILE 18 1HG1 ILE 18 -0.970 11.044 -3.497 145 HG21 ILE 18 1HG2 ILE 18 1.078 7.992 -4.384 146 HG22 ILE 18 2HG2 ILE 18 0.333 9.369 -5.187 147 HG23 ILE 18 3HG2 ILE 18 -0.553 7.847 -5.028 148 HD11 ILE 18 3HD1 ILE 18 -1.561 10.145 -5.599 149 HD12 ILE 18 1HD1 ILE 18 -3.110 10.381 -4.799 150 HD13 ILE 18 2HD1 ILE 18 -2.405 8.776 -4.882 151 H PHE 19 H PHE 19 0.866 7.444 -0.908 152 HA PHE 19 HA PHE 19 2.305 5.459 -2.335 153 HB2 PHE 19 2HB PHE 19 2.724 7.015 -0.054 154 HB3 PHE 19 1HB PHE 19 2.737 5.352 0.532 155 HD1 PHE 19 1HD PHE 19 4.104 3.636 -0.929 156 HD2 PHE 19 2HD PHE 19 4.669 7.895 -1.018 157 HE1 PHE 19 1HE PHE 19 6.375 3.316 -1.873 158 HE2 PHE 19 2HE PHE 19 6.939 7.574 -1.960 159 HZ PHE 19 HZ PHE 19 7.792 5.285 -2.388 160 H SER 20 H SER 20 0.071 5.256 0.427 161 HA SER 20 HA SER 20 0.238 2.468 0.795 162 HB2 SER 20 2HB SER 20 -2.290 4.005 1.305 163 HB3 SER 20 1HB SER 20 -1.584 2.694 2.244 164 HG SER 20 HG SER 20 -1.316 5.243 2.675 165 H LEU 21 H LEU 21 -1.903 4.448 -1.240 166 HA LEU 21 HA LEU 21 -3.621 2.433 -2.108 167 HB2 LEU 21 2HB LEU 21 -4.043 4.809 -2.511 168 HB3 LEU 21 1HB LEU 21 -2.653 4.896 -3.583 169 HG LEU 21 HG LEU 21 -4.442 2.719 -4.296 170 HD11 LEU 21 1HD1 LEU 21 -6.144 4.275 -3.387 171 HD12 LEU 21 2HD1 LEU 21 -6.282 4.125 -5.138 172 HD13 LEU 21 3HD1 LEU 21 -5.518 5.550 -4.431 173 HD21 LEU 21 3HD2 LEU 21 -4.199 3.754 -6.522 174 HD22 LEU 21 1HD2 LEU 21 -2.633 3.645 -5.716 175 HD23 LEU 21 2HD2 LEU 21 -3.485 5.187 -5.779 176 H ILE 22 H ILE 22 -0.467 3.482 -3.312 177 HA ILE 22 HA ILE 22 -0.443 1.869 -5.642 178 HB ILE 22 HB ILE 22 1.847 2.945 -3.979 179 HG12 ILE 22 2HG1 ILE 22 0.047 4.446 -5.232 180 HG13 ILE 22 1HG1 ILE 22 1.762 4.851 -5.307 181 HG21 ILE 22 1HG2 ILE 22 2.816 1.231 -5.274 182 HG22 ILE 22 2HG2 ILE 22 3.034 2.657 -6.277 183 HG23 ILE 22 3HG2 ILE 22 1.730 1.517 -6.632 184 HD11 ILE 22 3HD1 ILE 22 0.496 3.047 -7.373 185 HD12 ILE 22 1HD1 ILE 22 1.999 3.957 -7.484 186 HD13 ILE 22 2HD1 ILE 22 0.452 4.792 -7.539 187 H VAL 23 H VAL 23 0.518 1.270 -2.315 188 HA VAL 23 HA VAL 23 1.824 -1.202 -2.749 189 HB VAL 23 HB VAL 23 0.376 -0.206 -0.280 190 HG11 VAL 23 1HG1 VAL 23 0.755 -2.369 0.343 191 HG12 VAL 23 2HG1 VAL 23 2.409 -1.801 0.577 192 HG13 VAL 23 3HG1 VAL 23 1.963 -2.626 -0.915 193 HG21 VAL 23 3HG2 VAL 23 3.285 -0.160 -0.254 194 HG22 VAL 23 1HG2 VAL 23 2.149 1.146 0.081 195 HG23 VAL 23 2HG2 VAL 23 2.646 0.814 -1.578 196 H THR 24 H THR 24 -1.509 -0.426 -1.754 197 HA THR 24 HA THR 24 -2.421 -3.104 -1.635 198 HB THR 24 HB THR 24 -3.930 -0.522 -2.100 199 HG1 THR 24 1HG THR 24 -3.040 -1.974 0.098 200 HG21 THR 24 3HG2 THR 24 -5.571 -1.972 -2.743 201 HG22 THR 24 1HG2 THR 24 -5.723 -2.240 -1.006 202 HG23 THR 24 2HG2 THR 24 -4.778 -3.357 -1.991 203 H TYR 25 H TYR 25 -2.099 -0.799 -4.255 204 HA TYR 25 HA TYR 25 -3.729 -2.178 -6.145 205 HB2 TYR 25 2HB TYR 25 -3.133 0.177 -6.444 206 HB3 TYR 25 1HB TYR 25 -1.429 -0.257 -6.578 207 HD1 TYR 25 2HD TYR 25 -4.765 -1.008 -8.111 208 HD2 TYR 25 1HD TYR 25 -0.515 -0.742 -8.682 209 HE1 TYR 25 2HE TYR 25 -5.064 -1.436 -10.535 210 HE2 TYR 25 1HE TYR 25 -0.814 -1.169 -11.105 211 HH TYR 25 HH TYR 25 -2.352 -1.226 -12.785 212 H CYS 26 H CYS 26 -0.196 -2.067 -5.665 213 HA CYS 26 HA CYS 26 0.505 -3.875 -7.688 214 HB2 CYS 26 2HB CYS 26 1.888 -3.425 -5.031 215 HB3 CYS 26 1HB CYS 26 2.607 -4.158 -6.465 216 HG CYS 26 HG CYS 26 3.205 -1.601 -6.482 217 H ILE 27 H ILE 27 -0.631 -4.396 -4.403 218 HA ILE 27 HA ILE 27 -0.027 -7.189 -4.298 219 HB ILE 27 HB ILE 27 -1.962 -5.476 -2.728 220 HG12 ILE 27 2HG1 ILE 27 0.598 -6.762 -1.780 221 HG13 ILE 27 1HG1 ILE 27 0.618 -5.196 -2.592 222 HG21 ILE 27 1HG2 ILE 27 -1.739 -7.526 -1.128 223 HG22 ILE 27 2HG2 ILE 27 -1.275 -8.404 -2.586 224 HG23 ILE 27 3HG2 ILE 27 -2.858 -7.634 -2.486 225 HD11 ILE 27 3HD1 ILE 27 -0.442 -4.124 -0.852 226 HD12 ILE 27 1HD1 ILE 27 0.339 -5.410 0.068 227 HD13 ILE 27 2HD1 ILE 27 -1.357 -5.560 -0.389 228 H ASN 28 H ASN 28 -3.039 -5.373 -4.898 229 HA ASN 28 HA ASN 28 -4.819 -7.433 -5.264 230 HB2 ASN 28 2HB ASN 28 -4.556 -4.808 -6.732 231 HB3 ASN 28 1HB ASN 28 -5.915 -5.904 -6.980 232 HD21 ASN 28 1HD2 ASN 28 -6.966 -3.742 -6.026 233 HD22 ASN 28 2HD2 ASN 28 -7.167 -3.732 -4.341 234 H ALA 29 H ALA 29 -2.625 -6.054 -7.713 235 HA ALA 29 HA ALA 29 -3.394 -7.738 -9.834 236 HB1 ALA 29 1HB ALA 29 -0.697 -6.465 -9.336 237 HB2 ALA 29 2HB ALA 29 -2.061 -5.680 -10.132 238 HB3 ALA 29 3HB ALA 29 -1.287 -7.076 -10.882 239 H LYS 30 H LYS 30 -0.647 -8.003 -7.590 240 HA LYS 30 HA LYS 30 0.363 -10.440 -8.534 241 HB2 LYS 30 2HB LYS 30 0.411 -9.304 -5.726 242 HB3 LYS 30 1HB LYS 30 1.405 -10.648 -6.289 243 HG2 LYS 30 2HG LYS 30 1.523 -8.286 -8.036 244 HG3 LYS 30 1HG LYS 30 2.138 -7.995 -6.409 245 HD2 LYS 30 2HD LYS 30 3.747 -9.742 -6.590 246 HD3 LYS 30 1HD LYS 30 2.973 -10.404 -8.031 247 HE2 LYS 30 2HE LYS 30 3.835 -7.574 -8.221 248 HE3 LYS 30 1HE LYS 30 5.131 -8.765 -8.130 249 HZ1 LYS 30 3HZ LYS 30 4.614 -8.526 -10.397 250 HZ2 LYS 30 1HZ LYS 30 2.942 -8.601 -10.119 251 HZ3 LYS 30 2HZ LYS 30 3.897 -9.993 -9.926 252 H ALA 31 H ALA 31 -2.462 -9.740 -6.686 253 HA ALA 31 HA ALA 31 -2.752 -12.451 -5.689 254 HB1 ALA 31 1HB ALA 31 -3.492 -10.544 -4.307 255 HB2 ALA 31 2HB ALA 31 -4.828 -11.632 -4.681 256 HB3 ALA 31 3HB ALA 31 -4.658 -10.111 -5.557 257 H ASP 32 H ASP 32 -4.066 -10.405 -8.198 258 HA ASP 32 HA ASP 32 -6.160 -12.160 -8.988 259 HB2 ASP 32 2HB ASP 32 -4.761 -9.953 -10.503 260 HB3 ASP 32 1HB ASP 32 -6.216 -10.779 -11.057 261 H VAL 33 H VAL 33 -2.788 -11.917 -9.747 262 HA VAL 33 HA VAL 33 -2.669 -13.366 -12.141 263 HB VAL 33 HB VAL 33 -0.695 -13.213 -9.854 264 HG11 VAL 33 1HG1 VAL 33 0.871 -13.854 -11.880 265 HG12 VAL 33 2HG1 VAL 33 -0.601 -14.581 -12.523 266 HG13 VAL 33 3HG1 VAL 33 0.043 -15.118 -10.971 267 HG21 VAL 33 3HG2 VAL 33 -1.531 -11.345 -11.794 268 HG22 VAL 33 1HG2 VAL 33 0.030 -11.943 -12.355 269 HG23 VAL 33 2HG2 VAL 33 -0.114 -11.226 -10.751 270 H LEU 34 H LEU 34 -3.841 -14.377 -9.181 271 HA LEU 34 HA LEU 34 -3.040 -17.160 -9.494 272 HB2 LEU 34 2HB LEU 34 -4.548 -15.663 -7.377 273 HB3 LEU 34 1HB LEU 34 -4.452 -17.423 -7.381 274 HG LEU 34 HG LEU 34 -2.012 -17.325 -7.301 275 HD11 LEU 34 1HD1 LEU 34 -1.394 -15.414 -8.511 276 HD12 LEU 34 2HD1 LEU 34 -1.058 -14.937 -6.851 277 HD13 LEU 34 3HD1 LEU 34 -2.524 -14.381 -7.640 278 HD21 LEU 34 3HD2 LEU 34 -2.287 -17.230 -5.070 279 HD22 LEU 34 1HD2 LEU 34 -3.780 -16.307 -5.276 280 HD23 LEU 34 2HD2 LEU 34 -2.229 -15.469 -5.162 281 H PHE 35 H PHE 35 -6.002 -15.273 -9.341 282 HA PHE 35 HA PHE 35 -7.656 -17.495 -10.122 283 HB2 PHE 35 2HB PHE 35 -8.162 -14.558 -9.724 284 HB3 PHE 35 1HB PHE 35 -9.396 -15.610 -10.404 285 HD1 PHE 35 2HD PHE 35 -6.967 -15.529 -7.544 286 HD2 PHE 35 1HD PHE 35 -10.870 -16.671 -8.930 287 HE1 PHE 35 2HE PHE 35 -7.549 -16.311 -5.263 288 HE2 PHE 35 1HE PHE 35 -11.450 -17.452 -6.653 289 HZ PHE 35 HZ PHE 35 -9.792 -17.272 -4.818 290 H ILE 36 H ILE 36 -5.548 -15.630 -11.809 291 HA ILE 36 HA ILE 36 -7.101 -15.796 -14.316 292 HB ILE 36 HB ILE 36 -4.654 -14.147 -13.673 293 HG12 ILE 36 2HG1 ILE 36 -7.497 -13.261 -14.215 294 HG13 ILE 36 1HG1 ILE 36 -6.846 -13.464 -12.593 295 HG21 ILE 36 1HG2 ILE 36 -5.995 -13.228 -15.982 296 HG22 ILE 36 2HG2 ILE 36 -5.866 -14.972 -16.173 297 HG23 ILE 36 3HG2 ILE 36 -4.415 -14.002 -15.913 298 HD11 ILE 36 3HD1 ILE 36 -5.077 -11.826 -13.080 299 HD12 ILE 36 1HD1 ILE 36 -6.669 -11.111 -13.340 300 HD13 ILE 36 2HD1 ILE 36 -5.700 -11.629 -14.719 301 H ALA 37 H ALA 37 -3.861 -15.307 -14.870 302 HA ALA 37 HA ALA 37 -3.551 -18.076 -15.758 303 HB1 ALA 37 1HB ALA 37 -1.362 -16.476 -16.614 304 HB2 ALA 37 2HB ALA 37 -2.835 -15.540 -16.866 305 HB3 ALA 37 3HB ALA 37 -2.672 -17.138 -17.593 306 HA PRO 38 HA PRO 38 -0.456 -19.031 -12.783 307 HB2 PRO 38 2HB PRO 38 1.364 -20.455 -14.263 308 HB3 PRO 38 1HB PRO 38 -0.210 -21.097 -13.758 309 HG2 PRO 38 2HG PRO 38 0.639 -20.018 -16.393 310 HG3 PRO 38 1HG PRO 38 -0.452 -21.362 -16.018 311 HD2 PRO 38 2HD PRO 38 -1.321 -18.877 -16.778 312 HD3 PRO 38 1HD PRO 38 -2.272 -19.992 -15.769 313 H ARG 39 H ARG 39 2.239 -19.289 -12.873 314 HA ARG 39 HA ARG 39 3.190 -16.641 -12.787 315 HB2 ARG 39 2HB ARG 39 5.482 -17.814 -12.779 316 HB3 ARG 39 1HB ARG 39 4.362 -18.214 -11.475 317 HG2 ARG 39 2HG ARG 39 3.749 -20.278 -12.497 318 HG3 ARG 39 1HG ARG 39 4.506 -19.830 -14.027 319 HD2 ARG 39 2HD ARG 39 6.720 -19.818 -12.895 320 HD3 ARG 39 1HD ARG 39 5.942 -20.351 -11.408 321 HE ARG 39 HE ARG 39 5.167 -22.239 -13.201 322 HH11 ARG 39 1HH2 ARG 39 8.206 -20.820 -12.349 323 HH12 ARG 39 2HH2 ARG 39 9.129 -22.239 -12.712 324 HH21 ARG 39 1HH1 ARG 39 6.370 -24.105 -13.680 325 HH22 ARG 39 2HH1 ARG 39 8.088 -24.100 -13.465 326 H GLU 40 H GLU 40 4.509 -15.461 -14.167 327 HA GLU 40 HA GLU 40 4.609 -16.447 -16.947 328 HB2 GLU 40 2HB GLU 40 4.953 -13.642 -16.911 329 HB3 GLU 40 1HB GLU 40 3.568 -14.553 -17.516 330 HG2 GLU 40 2HG GLU 40 2.556 -14.556 -15.293 331 HG3 GLU 40 1HG GLU 40 3.963 -13.729 -14.627 332 HA PRO 41 HA PRO 41 8.982 -16.053 -16.970 333 HB2 PRO 41 2HB PRO 41 9.467 -14.944 -19.432 334 HB3 PRO 41 1HB PRO 41 8.990 -16.636 -19.192 335 HG2 PRO 41 2HG PRO 41 7.338 -14.303 -20.021 336 HG3 PRO 41 1HG PRO 41 7.290 -15.982 -20.588 337 HD2 PRO 41 2HD PRO 41 5.489 -14.971 -18.808 338 HD3 PRO 41 1HD PRO 41 5.974 -16.680 -18.826 339 H GLY 42 H GLY 42 7.272 -13.637 -16.083 340 HA2 GLY 42 2HA GLY 42 7.754 -11.569 -15.189 341 HA3 GLY 42 1HA GLY 42 9.443 -11.853 -15.597 342 H ALA 43 H ALA 43 9.762 -11.865 -18.134 343 HA ALA 43 HA ALA 43 8.148 -10.301 -19.803 344 HB1 ALA 43 1HB ALA 43 10.135 -8.774 -18.146 345 HB2 ALA 43 2HB ALA 43 8.468 -8.359 -18.543 346 HB3 ALA 43 3HB ALA 43 9.727 -8.229 -19.772 347 H VAL 44 H VAL 44 10.678 -12.238 -19.188 348 HA VAL 44 HA VAL 44 11.843 -11.783 -21.869 349 HB VAL 44 HB VAL 44 13.432 -12.662 -19.454 350 HG11 VAL 44 1HG1 VAL 44 15.210 -12.798 -20.877 351 HG12 VAL 44 2HG1 VAL 44 14.690 -11.397 -21.811 352 HG13 VAL 44 3HG1 VAL 44 13.972 -12.972 -22.118 353 HG21 VAL 44 3HG2 VAL 44 13.140 -9.920 -20.721 354 HG22 VAL 44 1HG2 VAL 44 14.389 -10.344 -19.552 355 HG23 VAL 44 2HG2 VAL 44 12.691 -10.373 -19.077 356 H SER 45 H SER 45 11.538 -13.502 -23.112 357 HA SER 45 HA SER 45 10.929 -16.089 -21.886 358 HB2 SER 45 2HB SER 45 9.398 -15.800 -23.572 359 HB3 SER 45 1HB SER 45 10.496 -14.833 -24.551 360 HG SER 45 HG SER 45 9.936 -17.328 -24.900 361 H TYR 46 H TYR 46 12.106 -17.956 -22.250 362 HA TYR 46 HA TYR 46 14.892 -17.523 -23.041 363 HB2 TYR 46 2HB TYR 46 15.382 -19.561 -21.919 364 HB3 TYR 46 1HB TYR 46 14.208 -18.730 -20.898 365 HD1 TYR 46 2HD TYR 46 11.759 -19.369 -21.064 366 HD2 TYR 46 1HD TYR 46 14.890 -21.674 -22.892 367 HE1 TYR 46 2HE TYR 46 10.223 -21.307 -21.254 368 HE2 TYR 46 1HE TYR 46 13.353 -23.611 -23.082 369 HH TYR 46 HH TYR 46 10.583 -23.931 -21.399 Start of MODEL 3 1 H ALA 1 1HT ALA 1 3.718 30.694 9.789 2 HA ALA 1 HA ALA 1 2.117 30.716 12.046 3 HB1 ALA 1 2HB ALA 1 0.950 32.000 10.613 4 HB2 ALA 1 3HB ALA 1 0.616 30.607 9.583 5 HB3 ALA 1 1HB ALA 1 2.089 31.546 9.344 6 H SER 2 H SER 2 0.069 29.609 12.389 7 HA SER 2 HA SER 2 0.309 26.808 12.432 8 HB2 SER 2 2HB SER 2 -1.738 26.806 13.501 9 HB3 SER 2 1HB SER 2 -1.249 28.476 13.768 10 HG SER 2 HG SER 2 -2.372 28.686 11.546 11 H LYS 3 H LYS 3 -1.372 28.986 10.203 12 HA LYS 3 HA LYS 3 -2.782 27.102 8.704 13 HB2 LYS 3 2HB LYS 3 -2.539 29.785 8.587 14 HB3 LYS 3 1HB LYS 3 -1.529 29.339 7.211 15 HG2 LYS 3 2HG LYS 3 -3.647 29.486 6.229 16 HG3 LYS 3 1HG LYS 3 -3.531 27.763 6.590 17 HD2 LYS 3 2HD LYS 3 -5.579 28.167 7.556 18 HD3 LYS 3 1HD LYS 3 -4.560 28.606 8.927 19 HE2 LYS 3 2HE LYS 3 -4.562 30.980 8.029 20 HE3 LYS 3 1HE LYS 3 -5.814 30.466 6.896 21 HZ1 LYS 3 3HZ LYS 3 -7.325 30.635 8.486 22 HZ2 LYS 3 1HZ LYS 3 -6.144 31.258 9.532 23 HZ3 LYS 3 2HZ LYS 3 -6.454 29.587 9.500 24 H GLU 4 H GLU 4 0.553 28.263 8.326 25 HA GLU 4 HA GLU 4 1.157 26.803 5.984 26 HB2 GLU 4 2HB GLU 4 3.182 27.460 8.114 27 HB3 GLU 4 1HB GLU 4 3.400 27.407 6.364 28 HG2 GLU 4 2HG GLU 4 1.571 29.300 6.370 29 HG3 GLU 4 1HG GLU 4 2.083 29.516 8.043 30 H LEU 5 H LEU 5 1.589 26.049 9.428 31 HA LEU 5 HA LEU 5 2.874 23.554 9.055 32 HB2 LEU 5 2HB LEU 5 1.273 24.703 11.343 33 HB3 LEU 5 1HB LEU 5 2.038 23.116 11.420 34 HG LEU 5 HG LEU 5 3.753 25.348 10.469 35 HD11 LEU 5 1HD1 LEU 5 2.842 26.606 12.226 36 HD12 LEU 5 2HD1 LEU 5 4.209 25.806 13.003 37 HD13 LEU 5 3HD1 LEU 5 2.577 25.183 13.235 38 HD21 LEU 5 3HD2 LEU 5 4.255 23.241 12.583 39 HD22 LEU 5 1HD2 LEU 5 5.445 24.107 11.610 40 HD23 LEU 5 2HD2 LEU 5 4.403 22.897 10.859 41 H GLU 6 H GLU 6 -0.515 24.502 9.226 42 HA GLU 6 HA GLU 6 -1.611 21.895 9.422 43 HB2 GLU 6 2HB GLU 6 -2.883 23.963 9.917 44 HB3 GLU 6 1HB GLU 6 -2.847 24.374 8.200 45 HG2 GLU 6 2HG GLU 6 -4.092 22.369 7.637 46 HG3 GLU 6 1HG GLU 6 -4.012 21.804 9.305 47 H LEU 7 H LEU 7 -1.001 24.024 6.637 48 HA LEU 7 HA LEU 7 -2.024 22.352 4.636 49 HB2 LEU 7 2HB LEU 7 -1.198 24.792 4.471 50 HB3 LEU 7 1HB LEU 7 0.402 24.089 4.231 51 HG LEU 7 HG LEU 7 -0.999 22.587 2.484 52 HD11 LEU 7 1HD1 LEU 7 -3.115 23.770 2.969 53 HD12 LEU 7 2HD1 LEU 7 -2.610 24.029 1.301 54 HD13 LEU 7 3HD1 LEU 7 -2.365 25.297 2.502 55 HD21 LEU 7 3HD2 LEU 7 -0.206 24.175 0.735 56 HD22 LEU 7 1HD2 LEU 7 1.024 23.866 1.959 57 HD23 LEU 7 2HD2 LEU 7 0.106 25.370 1.993 58 H ILE 8 H ILE 8 1.179 22.472 6.138 59 HA ILE 8 HA ILE 8 2.457 20.619 4.435 60 HB ILE 8 HB ILE 8 2.954 21.415 7.305 61 HG12 ILE 8 2HG1 ILE 8 4.621 21.955 4.841 62 HG13 ILE 8 1HG1 ILE 8 3.294 23.018 5.310 63 HG21 ILE 8 1HG2 ILE 8 3.967 19.312 7.269 64 HG22 ILE 8 2HG2 ILE 8 5.277 20.337 6.681 65 HG23 ILE 8 3HG2 ILE 8 4.313 19.397 5.541 66 HD11 ILE 8 3HD1 ILE 8 5.894 23.208 6.238 67 HD12 ILE 8 1HD1 ILE 8 5.079 22.350 7.544 68 HD13 ILE 8 2HD1 ILE 8 4.481 23.922 7.016 69 H THR 9 H THR 9 0.757 20.188 7.531 70 HA THR 9 HA THR 9 1.181 17.439 7.840 71 HB THR 9 HB THR 9 -1.264 19.035 8.648 72 HG1 THR 9 1HG THR 9 0.585 18.455 10.546 73 HG21 THR 9 3HG2 THR 9 -2.010 17.063 9.425 74 HG22 THR 9 1HG2 THR 9 -0.628 17.028 10.520 75 HG23 THR 9 2HG2 THR 9 -0.520 16.256 8.937 76 H LEU 10 H LEU 10 -1.491 19.161 6.232 77 HA LEU 10 HA LEU 10 -3.004 16.936 5.482 78 HB2 LEU 10 2HB LEU 10 -2.937 19.738 4.882 79 HB3 LEU 10 1HB LEU 10 -3.154 18.835 3.382 80 HG LEU 10 HG LEU 10 -4.798 18.405 5.894 81 HD11 LEU 10 1HD1 LEU 10 -6.120 20.103 5.239 82 HD12 LEU 10 2HD1 LEU 10 -6.283 19.391 3.634 83 HD13 LEU 10 3HD1 LEU 10 -4.951 20.494 3.977 84 HD21 LEU 10 3HD2 LEU 10 -6.044 17.501 3.486 85 HD22 LEU 10 1HD2 LEU 10 -5.503 16.534 4.858 86 HD23 LEU 10 2HD2 LEU 10 -4.403 16.856 3.517 87 H THR 11 H THR 11 -0.404 18.600 3.709 88 HA THR 11 HA THR 11 -0.447 17.047 1.386 89 HB THR 11 HB THR 11 1.999 18.243 2.707 90 HG1 THR 11 1HG THR 11 -0.199 19.408 1.853 91 HG21 THR 11 3HG2 THR 11 2.616 16.804 0.883 92 HG22 THR 11 1HG2 THR 11 2.693 18.461 0.282 93 HG23 THR 11 2HG2 THR 11 1.318 17.437 -0.128 94 H VAL 12 H VAL 12 1.443 16.596 4.371 95 HA VAL 12 HA VAL 12 2.823 14.283 3.595 96 HB VAL 12 HB VAL 12 1.920 15.258 6.309 97 HG11 VAL 12 1HG1 VAL 12 3.390 12.782 5.477 98 HG12 VAL 12 2HG1 VAL 12 2.230 13.006 6.787 99 HG13 VAL 12 3HG1 VAL 12 3.881 13.599 6.961 100 HG21 VAL 12 3HG2 VAL 12 3.975 16.295 6.431 101 HG22 VAL 12 1HG2 VAL 12 3.763 16.338 4.681 102 HG23 VAL 12 2HG2 VAL 12 4.762 15.085 5.417 103 H GLY 13 H GLY 13 -0.407 14.706 4.882 104 HA2 GLY 13 2HA GLY 13 -0.920 11.942 5.405 105 HA3 GLY 13 1HA GLY 13 -2.120 13.228 5.314 106 H PHE 14 H PHE 14 -1.658 14.142 2.747 107 HA PHE 14 HA PHE 14 -3.137 12.251 1.211 108 HB2 PHE 14 2HB PHE 14 -3.489 14.594 0.779 109 HB3 PHE 14 1HB PHE 14 -1.773 14.850 0.463 110 HD1 PHE 14 2HD PHE 14 -4.534 12.572 -0.693 111 HD2 PHE 14 1HD PHE 14 -1.127 14.954 -1.775 112 HE1 PHE 14 2HE PHE 14 -4.886 11.995 -3.077 113 HE2 PHE 14 1HE PHE 14 -1.479 14.375 -4.159 114 HZ PHE 14 HZ PHE 14 -3.359 12.896 -4.811 115 H GLY 15 H GLY 15 0.231 13.143 1.491 116 HA2 GLY 15 2HA GLY 15 1.131 11.799 -0.871 117 HA3 GLY 15 1HA GLY 15 2.141 12.309 0.480 118 H ILE 16 H ILE 16 0.757 10.884 2.519 119 HA ILE 16 HA ILE 16 2.046 8.344 2.274 120 HB ILE 16 HB ILE 16 0.074 9.432 4.287 121 HG12 ILE 16 2HG1 ILE 16 2.967 8.738 4.748 122 HG13 ILE 16 1HG1 ILE 16 2.549 10.271 3.983 123 HG21 ILE 16 1HG2 ILE 16 -0.240 7.105 4.463 124 HG22 ILE 16 2HG2 ILE 16 1.027 7.432 5.646 125 HG23 ILE 16 3HG2 ILE 16 1.445 6.757 4.070 126 HD11 ILE 16 3HD1 ILE 16 1.053 10.790 5.900 127 HD12 ILE 16 1HD1 ILE 16 2.728 10.580 6.404 128 HD13 ILE 16 2HD1 ILE 16 1.556 9.288 6.673 129 H LEU 17 H LEU 17 -1.225 9.498 1.807 130 HA LEU 17 HA LEU 17 -2.507 6.963 1.685 131 HB2 LEU 17 2HB LEU 17 -3.628 9.237 1.915 132 HB3 LEU 17 1HB LEU 17 -3.356 9.446 0.186 133 HG LEU 17 HG LEU 17 -4.464 6.996 0.134 134 HD11 LEU 17 1HD1 LEU 17 -4.690 7.324 2.744 135 HD12 LEU 17 2HD1 LEU 17 -6.001 6.581 1.828 136 HD13 LEU 17 3HD1 LEU 17 -6.104 8.279 2.294 137 HD21 LEU 17 3HD2 LEU 17 -6.723 8.336 -0.050 138 HD22 LEU 17 1HD2 LEU 17 -5.438 8.634 -1.220 139 HD23 LEU 17 2HD2 LEU 17 -5.679 9.746 0.127 140 H ILE 18 H ILE 18 -1.034 9.034 -0.787 141 HA ILE 18 HA ILE 18 -1.749 7.470 -3.024 142 HB ILE 18 HB ILE 18 0.578 9.346 -2.555 143 HG12 ILE 18 2HG1 ILE 18 -1.945 9.710 -4.198 144 HG13 ILE 18 1HG1 ILE 18 -1.811 10.225 -2.516 145 HG21 ILE 18 1HG2 ILE 18 1.428 8.293 -4.395 146 HG22 ILE 18 2HG2 ILE 18 0.234 9.265 -5.254 147 HG23 ILE 18 3HG2 ILE 18 -0.126 7.590 -4.837 148 HD11 ILE 18 3HD1 ILE 18 0.421 11.093 -4.241 149 HD12 ILE 18 1HD1 ILE 18 -0.488 12.001 -3.034 150 HD13 ILE 18 2HD1 ILE 18 -1.144 11.792 -4.658 151 H PHE 19 H PHE 19 1.026 7.372 -0.836 152 HA PHE 19 HA PHE 19 2.533 5.440 -2.249 153 HB2 PHE 19 2HB PHE 19 2.665 6.795 0.297 154 HB3 PHE 19 1HB PHE 19 3.041 5.083 0.497 155 HD1 PHE 19 1HD PHE 19 4.826 4.030 -0.946 156 HD2 PHE 19 2HD PHE 19 4.177 8.273 -0.804 157 HE1 PHE 19 1HE PHE 19 7.070 4.407 -1.933 158 HE2 PHE 19 2HE PHE 19 6.419 8.651 -1.791 159 HZ PHE 19 HZ PHE 19 7.868 6.717 -2.356 160 H SER 20 H SER 20 0.189 5.135 0.411 161 HA SER 20 HA SER 20 0.362 2.320 0.632 162 HB2 SER 20 2HB SER 20 -0.748 4.122 2.203 163 HB3 SER 20 1HB SER 20 -2.183 3.774 1.241 164 HG SER 20 HG SER 20 -2.320 1.885 2.163 165 H LEU 21 H LEU 21 -1.713 4.441 -1.325 166 HA LEU 21 HA LEU 21 -3.473 2.499 -2.290 167 HB2 LEU 21 2HB LEU 21 -3.810 4.924 -2.547 168 HB3 LEU 21 1HB LEU 21 -2.438 4.998 -3.652 169 HG LEU 21 HG LEU 21 -4.264 2.913 -4.450 170 HD11 LEU 21 1HD1 LEU 21 -6.015 4.217 -3.416 171 HD12 LEU 21 2HD1 LEU 21 -6.107 4.469 -5.159 172 HD13 LEU 21 3HD1 LEU 21 -5.387 5.705 -4.127 173 HD21 LEU 21 3HD2 LEU 21 -4.135 4.121 -6.583 174 HD22 LEU 21 1HD2 LEU 21 -2.532 4.010 -5.852 175 HD23 LEU 21 2HD2 LEU 21 -3.440 5.518 -5.762 176 H ILE 22 H ILE 22 -0.285 3.544 -3.398 177 HA ILE 22 HA ILE 22 -0.283 2.028 -5.808 178 HB ILE 22 HB ILE 22 1.967 3.151 -4.130 179 HG12 ILE 22 2HG1 ILE 22 1.004 4.013 -6.862 180 HG13 ILE 22 1HG1 ILE 22 0.285 4.652 -5.384 181 HG21 ILE 22 1HG2 ILE 22 3.032 2.781 -6.607 182 HG22 ILE 22 2HG2 ILE 22 1.982 1.368 -6.500 183 HG23 ILE 22 3HG2 ILE 22 3.230 1.633 -5.281 184 HD11 ILE 22 3HD1 ILE 22 3.234 4.770 -6.085 185 HD12 ILE 22 1HD1 ILE 22 2.490 5.438 -4.632 186 HD13 ILE 22 2HD1 ILE 22 2.103 6.117 -6.213 187 H VAL 23 H VAL 23 0.696 1.327 -2.502 188 HA VAL 23 HA VAL 23 1.955 -1.169 -3.097 189 HB VAL 23 HB VAL 23 0.819 -0.121 -0.491 190 HG11 VAL 23 1HG1 VAL 23 1.266 -2.192 0.279 191 HG12 VAL 23 2HG1 VAL 23 2.970 -1.868 -0.041 192 HG13 VAL 23 3HG1 VAL 23 1.980 -2.670 -1.261 193 HG21 VAL 23 3HG2 VAL 23 3.664 -0.164 -0.571 194 HG22 VAL 23 1HG2 VAL 23 2.609 1.247 -0.481 195 HG23 VAL 23 2HG2 VAL 23 3.116 0.624 -2.050 196 H THR 24 H THR 24 -1.259 -0.233 -1.916 197 HA THR 24 HA THR 24 -2.268 -2.847 -1.571 198 HB THR 24 HB THR 24 -3.758 -0.296 -2.238 199 HG1 THR 24 1HG THR 24 -3.103 -1.564 0.212 200 HG21 THR 24 3HG2 THR 24 -5.334 -1.976 -0.661 201 HG22 THR 24 1HG2 THR 24 -4.599 -3.056 -1.847 202 HG23 THR 24 2HG2 THR 24 -5.542 -1.666 -2.384 203 H TYR 25 H TYR 25 -1.963 -0.770 -4.373 204 HA TYR 25 HA TYR 25 -3.704 -2.265 -6.079 205 HB2 TYR 25 2HB TYR 25 -3.103 0.083 -6.538 206 HB3 TYR 25 1HB TYR 25 -1.426 -0.399 -6.795 207 HD1 TYR 25 2HD TYR 25 -0.788 -1.775 -8.738 208 HD2 TYR 25 1HD TYR 25 -4.825 -0.422 -8.174 209 HE1 TYR 25 2HE TYR 25 -1.307 -2.343 -11.095 210 HE2 TYR 25 1HE TYR 25 -5.344 -0.989 -10.532 211 HH TYR 25 HH TYR 25 -2.891 -2.478 -12.646 212 H CYS 26 H CYS 26 -0.183 -2.208 -5.584 213 HA CYS 26 HA CYS 26 0.514 -4.066 -7.570 214 HB2 CYS 26 2HB CYS 26 1.842 -3.555 -4.897 215 HB3 CYS 26 1HB CYS 26 2.577 -4.395 -6.262 216 HG CYS 26 HG CYS 26 3.237 -2.156 -7.080 217 H ILE 27 H ILE 27 -0.633 -4.489 -4.266 218 HA ILE 27 HA ILE 27 -0.118 -7.288 -4.096 219 HB ILE 27 HB ILE 27 -2.009 -5.460 -2.607 220 HG12 ILE 27 2HG1 ILE 27 0.451 -6.938 -1.642 221 HG13 ILE 27 1HG1 ILE 27 0.536 -5.318 -2.339 222 HG21 ILE 27 1HG2 ILE 27 -2.088 -7.465 -0.990 223 HG22 ILE 27 2HG2 ILE 27 -1.525 -8.433 -2.353 224 HG23 ILE 27 3HG2 ILE 27 -3.067 -7.581 -2.453 225 HD11 ILE 27 3HD1 ILE 27 -0.354 -4.348 -0.489 226 HD12 ILE 27 1HD1 ILE 27 0.099 -5.847 0.321 227 HD13 ILE 27 2HD1 ILE 27 -1.545 -5.631 -0.276 228 H ASN 28 H ASN 28 -3.025 -5.408 -4.936 229 HA ASN 28 HA ASN 28 -4.796 -7.538 -5.297 230 HB2 ASN 28 2HB ASN 28 -4.605 -4.771 -6.438 231 HB3 ASN 28 1HB ASN 28 -5.817 -5.889 -7.062 232 HD21 ASN 28 1HD2 ASN 28 -4.916 -3.920 -4.293 233 HD22 ASN 28 2HD2 ASN 28 -6.312 -4.242 -3.380 234 H ALA 29 H ALA 29 -2.363 -6.189 -7.462 235 HA ALA 29 HA ALA 29 -3.156 -7.629 -9.780 236 HB1 ALA 29 1HB ALA 29 -0.470 -7.216 -10.120 237 HB2 ALA 29 2HB ALA 29 -0.884 -5.961 -8.951 238 HB3 ALA 29 3HB ALA 29 -1.724 -6.034 -10.500 239 H LYS 30 H LYS 30 -0.731 -8.251 -7.273 240 HA LYS 30 HA LYS 30 0.250 -10.670 -8.372 241 HB2 LYS 30 2HB LYS 30 0.229 -9.655 -5.523 242 HB3 LYS 30 1HB LYS 30 1.114 -11.083 -6.063 243 HG2 LYS 30 2HG LYS 30 1.517 -8.555 -7.597 244 HG3 LYS 30 1HG LYS 30 2.258 -8.667 -6.000 245 HD2 LYS 30 2HD LYS 30 3.379 -10.753 -6.640 246 HD3 LYS 30 1HD LYS 30 2.601 -10.704 -8.222 247 HE2 LYS 30 2HE LYS 30 5.015 -9.804 -8.071 248 HE3 LYS 30 1HE LYS 30 3.827 -8.793 -8.894 249 HZ1 LYS 30 3HZ LYS 30 3.857 -7.266 -7.258 250 HZ2 LYS 30 1HZ LYS 30 5.400 -7.902 -6.958 251 HZ3 LYS 30 2HZ LYS 30 4.076 -8.412 -6.023 252 H ALA 31 H ALA 31 -2.631 -9.886 -6.670 253 HA ALA 31 HA ALA 31 -3.152 -12.629 -5.846 254 HB1 ALA 31 1HB ALA 31 -5.484 -11.320 -5.393 255 HB2 ALA 31 2HB ALA 31 -4.339 -9.980 -5.320 256 HB3 ALA 31 3HB ALA 31 -4.146 -11.366 -4.246 257 H ASP 32 H ASP 32 -4.152 -10.359 -8.301 258 HA ASP 32 HA ASP 32 -6.328 -11.898 -9.304 259 HB2 ASP 32 2HB ASP 32 -4.705 -9.611 -10.365 260 HB3 ASP 32 1HB ASP 32 -5.843 -10.452 -11.416 261 H VAL 33 H VAL 33 -2.911 -11.946 -9.815 262 HA VAL 33 HA VAL 33 -2.797 -13.314 -12.271 263 HB VAL 33 HB VAL 33 -0.877 -13.457 -9.932 264 HG11 VAL 33 1HG1 VAL 33 0.692 -13.889 -12.011 265 HG12 VAL 33 2HG1 VAL 33 -0.800 -14.446 -12.768 266 HG13 VAL 33 3HG1 VAL 33 -0.212 -15.228 -11.299 267 HG21 VAL 33 3HG2 VAL 33 -0.074 -11.894 -12.244 268 HG22 VAL 33 1HG2 VAL 33 -0.178 -11.401 -10.555 269 HG23 VAL 33 2HG2 VAL 33 -1.602 -11.302 -11.590 270 H LEU 34 H LEU 34 -4.227 -14.315 -9.464 271 HA LEU 34 HA LEU 34 -3.556 -17.141 -9.786 272 HB2 LEU 34 2HB LEU 34 -5.053 -15.582 -7.691 273 HB3 LEU 34 1HB LEU 34 -5.127 -17.339 -7.743 274 HG LEU 34 HG LEU 34 -3.341 -16.468 -6.209 275 HD11 LEU 34 1HD1 LEU 34 -1.741 -17.730 -8.333 276 HD12 LEU 34 2HD1 LEU 34 -3.240 -18.578 -7.962 277 HD13 LEU 34 3HD1 LEU 34 -2.057 -18.278 -6.687 278 HD21 LEU 34 3HD2 LEU 34 -2.851 -14.498 -7.842 279 HD22 LEU 34 1HD2 LEU 34 -1.834 -15.661 -8.695 280 HD23 LEU 34 2HD2 LEU 34 -1.486 -15.251 -7.017 281 H PHE 35 H PHE 35 -6.447 -15.191 -9.546 282 HA PHE 35 HA PHE 35 -8.086 -17.280 -10.674 283 HB2 PHE 35 2HB PHE 35 -8.680 -14.437 -9.853 284 HB3 PHE 35 1HB PHE 35 -9.878 -15.481 -10.610 285 HD1 PHE 35 1HD PHE 35 -7.709 -15.029 -7.651 286 HD2 PHE 35 2HD PHE 35 -10.888 -17.321 -9.408 287 HE1 PHE 35 1HE PHE 35 -8.161 -16.086 -5.454 288 HE2 PHE 35 2HE PHE 35 -11.340 -18.379 -7.210 289 HZ PHE 35 HZ PHE 35 -9.976 -17.760 -5.233 290 H ILE 36 H ILE 36 -6.112 -14.873 -11.920 291 HA ILE 36 HA ILE 36 -7.552 -14.873 -14.498 292 HB ILE 36 HB ILE 36 -5.437 -12.925 -13.551 293 HG12 ILE 36 2HG1 ILE 36 -7.427 -12.734 -12.147 294 HG13 ILE 36 1HG1 ILE 36 -7.359 -11.368 -13.252 295 HG21 ILE 36 1HG2 ILE 36 -7.171 -11.859 -15.533 296 HG22 ILE 36 2HG2 ILE 36 -6.659 -13.444 -16.108 297 HG23 ILE 36 3HG2 ILE 36 -5.454 -12.222 -15.697 298 HD11 ILE 36 3HD1 ILE 36 -9.587 -12.009 -13.478 299 HD12 ILE 36 1HD1 ILE 36 -9.218 -13.721 -13.252 300 HD13 ILE 36 2HD1 ILE 36 -8.851 -12.937 -14.787 301 H ALA 37 H ALA 37 -4.637 -13.621 -15.041 302 HA ALA 37 HA ALA 37 -3.712 -15.564 -16.756 303 HB1 ALA 37 1HB ALA 37 -2.695 -13.121 -15.680 304 HB2 ALA 37 2HB ALA 37 -2.192 -13.967 -17.145 305 HB3 ALA 37 3HB ALA 37 -1.414 -14.333 -15.605 306 HA PRO 38 HA PRO 38 -2.018 -18.836 -14.351 307 HB2 PRO 38 2HB PRO 38 0.284 -19.455 -15.710 308 HB3 PRO 38 1HB PRO 38 -1.339 -19.876 -16.284 309 HG2 PRO 38 2HG PRO 38 0.444 -17.648 -17.116 310 HG3 PRO 38 1HG PRO 38 -0.640 -18.654 -18.091 311 HD2 PRO 38 2HD PRO 38 -1.274 -16.109 -17.310 312 HD3 PRO 38 1HD PRO 38 -2.493 -17.368 -17.608 313 H ARG 39 H ARG 39 0.108 -19.620 -13.274 314 HA ARG 39 HA ARG 39 1.256 -17.335 -11.861 315 HB2 ARG 39 2HB ARG 39 2.148 -19.015 -10.317 316 HB3 ARG 39 1HB ARG 39 0.417 -19.257 -10.565 317 HG2 ARG 39 2HG ARG 39 1.334 -20.818 -12.549 318 HG3 ARG 39 1HG ARG 39 2.712 -20.937 -11.453 319 HD2 ARG 39 2HD ARG 39 1.371 -22.678 -10.684 320 HD3 ARG 39 1HD ARG 39 0.862 -21.360 -9.633 321 HE ARG 39 HE ARG 39 -1.219 -21.429 -10.654 322 HH11 ARG 39 1HH2 ARG 39 1.161 -23.040 -12.582 323 HH12 ARG 39 2HH2 ARG 39 0.018 -23.649 -13.732 324 HH21 ARG 39 1HH1 ARG 39 -2.725 -22.227 -12.157 325 HH22 ARG 39 2HH1 ARG 39 -2.183 -23.189 -13.491 326 H GLU 40 H GLU 40 3.505 -17.029 -11.608 327 HA GLU 40 HA GLU 40 5.041 -18.013 -13.914 328 HB2 GLU 40 2HB GLU 40 6.611 -16.084 -12.820 329 HB3 GLU 40 1HB GLU 40 5.394 -15.773 -14.059 330 HG2 GLU 40 2HG GLU 40 5.186 -14.232 -12.120 331 HG3 GLU 40 1HG GLU 40 3.745 -15.220 -12.342 332 HA PRO 41 HA PRO 41 7.691 -20.509 -11.429 333 HB2 PRO 41 2HB PRO 41 10.152 -19.994 -12.566 334 HB3 PRO 41 1HB PRO 41 8.929 -21.061 -13.281 335 HG2 PRO 41 2HG PRO 41 9.573 -18.225 -13.924 336 HG3 PRO 41 1HG PRO 41 9.171 -19.566 -15.011 337 HD2 PRO 41 2HD PRO 41 7.354 -17.672 -14.355 338 HD3 PRO 41 1HD PRO 41 6.890 -19.364 -14.640 339 H GLY 42 H GLY 42 8.930 -17.227 -12.014 340 HA2 GLY 42 2HA GLY 42 9.852 -15.673 -10.586 341 HA3 GLY 42 1HA GLY 42 9.231 -16.639 -9.251 342 H ALA 43 H ALA 43 11.046 -18.615 -11.214 343 HA ALA 43 HA ALA 43 13.201 -19.433 -11.155 344 HB1 ALA 43 1HB ALA 43 14.963 -18.024 -10.663 345 HB2 ALA 43 2HB ALA 43 14.120 -17.263 -9.314 346 HB3 ALA 43 3HB ALA 43 13.694 -16.839 -10.972 347 H VAL 44 H VAL 44 11.054 -19.856 -9.092 348 HA VAL 44 HA VAL 44 12.604 -20.444 -6.684 349 HB VAL 44 HB VAL 44 9.665 -20.836 -7.294 350 HG11 VAL 44 1HG1 VAL 44 9.828 -22.216 -5.492 351 HG12 VAL 44 2HG1 VAL 44 9.936 -20.717 -4.573 352 HG13 VAL 44 3HG1 VAL 44 11.405 -21.581 -5.027 353 HG21 VAL 44 3HG2 VAL 44 10.293 -18.474 -7.264 354 HG22 VAL 44 1HG2 VAL 44 11.162 -18.700 -5.746 355 HG23 VAL 44 2HG2 VAL 44 9.407 -18.862 -5.790 356 H SER 45 H SER 45 13.947 -22.130 -7.336 357 HA SER 45 HA SER 45 12.589 -24.647 -8.102 358 HB2 SER 45 2HB SER 45 15.528 -24.283 -8.460 359 HB3 SER 45 1HB SER 45 14.388 -25.227 -9.415 360 HG SER 45 HG SER 45 14.117 -23.550 -10.640 361 H TYR 46 H TYR 46 12.522 -26.162 -6.589 362 HA TYR 46 HA TYR 46 14.716 -26.330 -4.627 363 HB2 TYR 46 2HB TYR 46 11.903 -25.706 -4.101 364 HB3 TYR 46 1HB TYR 46 12.501 -27.076 -3.164 365 HD1 TYR 46 2HD TYR 46 14.523 -26.814 -1.716 366 HD2 TYR 46 1HD TYR 46 12.681 -23.473 -3.689 367 HE1 TYR 46 2HE TYR 46 15.734 -25.259 -0.212 368 HE2 TYR 46 1HE TYR 46 13.892 -21.918 -2.184 369 HH TYR 46 HH TYR 46 15.376 -21.725 -0.551 Start of MODEL 4 1 H ALA 1 1HT ALA 1 1.965 30.796 13.160 2 HA ALA 1 HA ALA 1 1.439 29.940 10.847 3 HB1 ALA 1 2HB ALA 1 3.035 27.821 12.079 4 HB2 ALA 1 3HB ALA 1 3.493 29.425 12.649 5 HB3 ALA 1 1HB ALA 1 3.521 29.062 10.924 6 H SER 2 H SER 2 -0.670 28.976 12.903 7 HA SER 2 HA SER 2 -1.020 26.241 12.878 8 HB2 SER 2 2HB SER 2 -3.537 26.848 12.772 9 HB3 SER 2 1HB SER 2 -2.590 27.454 14.128 10 HG SER 2 HG SER 2 -3.672 29.190 13.324 11 H LYS 3 H LYS 3 -1.752 28.570 10.319 12 HA LYS 3 HA LYS 3 -3.056 26.737 8.582 13 HB2 LYS 3 2HB LYS 3 -1.698 29.394 8.138 14 HB3 LYS 3 1HB LYS 3 -2.438 28.483 6.821 15 HG2 LYS 3 2HG LYS 3 -4.541 28.995 7.496 16 HG3 LYS 3 1HG LYS 3 -4.156 28.715 9.195 17 HD2 LYS 3 2HD LYS 3 -3.162 30.904 9.405 18 HD3 LYS 3 1HD LYS 3 -3.277 31.179 7.666 19 HE2 LYS 3 2HE LYS 3 -5.769 30.562 9.224 20 HE3 LYS 3 1HE LYS 3 -5.103 32.195 9.267 21 HZ1 LYS 3 3HZ LYS 3 -6.646 31.035 7.265 22 HZ2 LYS 3 1HZ LYS 3 -5.094 31.256 6.616 23 HZ3 LYS 3 2HZ LYS 3 -5.936 32.579 7.270 24 H GLU 4 H GLU 4 0.291 27.939 8.732 25 HA GLU 4 HA GLU 4 1.323 26.596 6.517 26 HB2 GLU 4 2HB GLU 4 2.675 27.244 9.148 27 HB3 GLU 4 1HB GLU 4 3.514 26.770 7.671 28 HG2 GLU 4 2HG GLU 4 2.462 28.719 6.506 29 HG3 GLU 4 1HG GLU 4 1.774 29.223 8.049 30 H LEU 5 H LEU 5 0.915 25.489 9.859 31 HA LEU 5 HA LEU 5 2.178 22.962 9.485 32 HB2 LEU 5 2HB LEU 5 0.267 24.047 11.550 33 HB3 LEU 5 1HB LEU 5 0.836 22.377 11.594 34 HG LEU 5 HG LEU 5 2.932 24.442 11.210 35 HD11 LEU 5 1HD1 LEU 5 1.402 24.115 13.807 36 HD12 LEU 5 2HD1 LEU 5 1.577 25.593 12.862 37 HD13 LEU 5 3HD1 LEU 5 2.976 24.899 13.682 38 HD21 LEU 5 3HD2 LEU 5 4.247 22.902 12.390 39 HD22 LEU 5 1HD2 LEU 5 3.097 21.844 11.572 40 HD23 LEU 5 2HD2 LEU 5 2.866 22.251 13.273 41 H GLU 6 H GLU 6 -1.190 24.057 9.329 42 HA GLU 6 HA GLU 6 -2.401 21.544 8.989 43 HB2 GLU 6 2HB GLU 6 -3.208 24.301 8.050 44 HB3 GLU 6 1HB GLU 6 -4.234 22.878 7.866 45 HG2 GLU 6 2HG GLU 6 -3.091 23.317 10.571 46 HG3 GLU 6 1HG GLU 6 -4.307 24.481 10.050 47 H LEU 7 H LEU 7 -1.102 23.843 6.618 48 HA LEU 7 HA LEU 7 -1.876 22.397 4.323 49 HB2 LEU 7 2HB LEU 7 -0.193 24.703 4.943 50 HB3 LEU 7 1HB LEU 7 0.442 23.749 3.603 51 HG LEU 7 HG LEU 7 -1.146 25.515 2.843 52 HD11 LEU 7 1HD1 LEU 7 -2.783 23.180 2.238 53 HD12 LEU 7 2HD1 LEU 7 -1.063 22.817 2.101 54 HD13 LEU 7 3HD1 LEU 7 -1.763 24.134 1.161 55 HD21 LEU 7 3HD2 LEU 7 -2.569 24.782 5.104 56 HD22 LEU 7 1HD2 LEU 7 -3.522 24.076 3.797 57 HD23 LEU 7 2HD2 LEU 7 -3.180 25.806 3.806 58 H ILE 8 H ILE 8 1.190 22.485 6.120 59 HA ILE 8 HA ILE 8 2.579 20.641 4.502 60 HB ILE 8 HB ILE 8 2.888 21.347 7.428 61 HG12 ILE 8 2HG1 ILE 8 4.584 22.119 5.038 62 HG13 ILE 8 1HG1 ILE 8 3.247 23.113 5.622 63 HG21 ILE 8 1HG2 ILE 8 4.119 19.422 7.459 64 HG22 ILE 8 2HG2 ILE 8 5.317 20.415 6.628 65 HG23 ILE 8 3HG2 ILE 8 4.250 19.361 5.701 66 HD11 ILE 8 3HD1 ILE 8 5.593 22.225 7.325 67 HD12 ILE 8 1HD1 ILE 8 4.301 23.323 7.809 68 HD13 ILE 8 2HD1 ILE 8 5.454 23.811 6.566 69 H THR 9 H THR 9 0.441 20.211 7.282 70 HA THR 9 HA THR 9 0.920 17.456 7.688 71 HB THR 9 HB THR 9 -1.597 19.044 8.248 72 HG1 THR 9 1HG THR 9 -0.162 18.560 10.399 73 HG21 THR 9 3HG2 THR 9 -0.666 16.288 8.914 74 HG22 THR 9 1HG2 THR 9 -2.298 16.881 8.609 75 HG23 THR 9 2HG2 THR 9 -1.528 17.183 10.165 76 H LEU 10 H LEU 10 -1.508 19.188 5.753 77 HA LEU 10 HA LEU 10 -2.918 16.916 4.854 78 HB2 LEU 10 2HB LEU 10 -2.841 19.758 4.276 79 HB3 LEU 10 1HB LEU 10 -3.052 18.816 2.799 80 HG LEU 10 HG LEU 10 -4.694 18.335 5.301 81 HD11 LEU 10 1HD1 LEU 10 -4.994 20.662 4.387 82 HD12 LEU 10 2HD1 LEU 10 -6.451 19.671 4.317 83 HD13 LEU 10 3HD1 LEU 10 -5.495 19.938 2.858 84 HD21 LEU 10 3HD2 LEU 10 -5.932 17.705 2.768 85 HD22 LEU 10 1HD2 LEU 10 -5.567 16.627 4.113 86 HD23 LEU 10 2HD2 LEU 10 -4.356 16.919 2.865 87 H THR 11 H THR 11 -0.051 18.560 3.626 88 HA THR 11 HA THR 11 0.130 17.199 1.155 89 HB THR 11 HB THR 11 2.265 18.461 2.888 90 HG1 THR 11 1HG THR 11 0.677 19.856 2.036 91 HG21 THR 11 3HG2 THR 11 3.504 18.491 0.633 92 HG22 THR 11 1HG2 THR 11 2.357 17.252 0.125 93 HG23 THR 11 2HG2 THR 11 3.436 16.951 1.488 94 H VAL 12 H VAL 12 1.665 16.559 4.308 95 HA VAL 12 HA VAL 12 3.016 14.202 3.476 96 HB VAL 12 HB VAL 12 2.145 15.090 6.238 97 HG11 VAL 12 1HG1 VAL 12 4.392 13.538 6.526 98 HG12 VAL 12 2HG1 VAL 12 3.546 12.702 5.224 99 HG13 VAL 12 3HG1 VAL 12 2.743 12.964 6.771 100 HG21 VAL 12 3HG2 VAL 12 4.925 15.312 5.900 101 HG22 VAL 12 1HG2 VAL 12 3.766 16.639 5.961 102 HG23 VAL 12 2HG2 VAL 12 4.236 15.950 4.407 103 H GLY 13 H GLY 13 -0.212 14.830 4.627 104 HA2 GLY 13 2HA GLY 13 -0.885 12.122 5.259 105 HA3 GLY 13 1HA GLY 13 -2.017 13.454 5.050 106 H PHE 14 H PHE 14 -1.383 14.218 2.452 107 HA PHE 14 HA PHE 14 -2.833 12.259 0.944 108 HB2 PHE 14 2HB PHE 14 -3.134 14.656 0.513 109 HB3 PHE 14 1HB PHE 14 -1.440 14.794 0.041 110 HD1 PHE 14 2HD PHE 14 -4.733 13.386 -0.882 111 HD2 PHE 14 1HD PHE 14 -0.649 13.949 -2.086 112 HE1 PHE 14 2HE PHE 14 -5.318 12.690 -3.190 113 HE2 PHE 14 1HE PHE 14 -1.233 13.254 -4.394 114 HZ PHE 14 HZ PHE 14 -3.567 12.624 -4.946 115 H GLY 15 H GLY 15 0.518 13.176 1.329 116 HA2 GLY 15 2HA GLY 15 1.504 11.785 -0.982 117 HA3 GLY 15 1HA GLY 15 2.468 12.351 0.379 118 H ILE 16 H ILE 16 1.053 10.966 2.427 119 HA ILE 16 HA ILE 16 2.374 8.425 2.280 120 HB ILE 16 HB ILE 16 0.411 9.612 4.238 121 HG12 ILE 16 2HG1 ILE 16 3.301 8.829 4.657 122 HG13 ILE 16 1HG1 ILE 16 2.863 10.406 3.999 123 HG21 ILE 16 1HG2 ILE 16 -0.036 7.388 4.647 124 HG22 ILE 16 2HG2 ILE 16 1.433 7.555 5.609 125 HG23 ILE 16 3HG2 ILE 16 1.511 6.848 3.995 126 HD11 ILE 16 3HD1 ILE 16 1.392 10.767 5.999 127 HD12 ILE 16 1HD1 ILE 16 3.101 10.613 6.409 128 HD13 ILE 16 2HD1 ILE 16 2.005 9.255 6.667 129 H LEU 17 H LEU 17 -0.957 9.517 1.900 130 HA LEU 17 HA LEU 17 -2.172 6.962 1.808 131 HB2 LEU 17 2HB LEU 17 -2.957 9.702 1.368 132 HB3 LEU 17 1HB LEU 17 -3.631 8.675 0.103 133 HG LEU 17 HG LEU 17 -4.463 7.121 1.898 134 HD11 LEU 17 1HD1 LEU 17 -4.286 9.185 3.979 135 HD12 LEU 17 2HD1 LEU 17 -2.712 8.541 3.515 136 HD13 LEU 17 3HD1 LEU 17 -3.976 7.454 4.090 137 HD21 LEU 17 3HD2 LEU 17 -6.021 8.698 0.951 138 HD22 LEU 17 1HD2 LEU 17 -5.365 10.013 1.926 139 HD23 LEU 17 2HD2 LEU 17 -6.263 8.706 2.697 140 H ILE 18 H ILE 18 -0.814 9.028 -0.726 141 HA ILE 18 HA ILE 18 -1.559 7.425 -2.921 142 HB ILE 18 HB ILE 18 0.738 9.354 -2.540 143 HG12 ILE 18 2HG1 ILE 18 -1.845 9.974 -2.562 144 HG13 ILE 18 1HG1 ILE 18 -0.675 10.970 -3.427 145 HG21 ILE 18 1HG2 ILE 18 0.641 9.315 -5.139 146 HG22 ILE 18 2HG2 ILE 18 -0.159 7.757 -4.935 147 HG23 ILE 18 3HG2 ILE 18 1.475 7.993 -4.319 148 HD11 ILE 18 3HD1 ILE 18 -2.811 10.243 -4.704 149 HD12 ILE 18 1HD1 ILE 18 -2.048 8.654 -4.798 150 HD13 ILE 18 2HD1 ILE 18 -1.263 10.055 -5.524 151 H PHE 19 H PHE 19 1.280 7.401 -0.815 152 HA PHE 19 HA PHE 19 2.807 5.508 -2.246 153 HB2 PHE 19 2HB PHE 19 3.206 6.991 0.003 154 HB3 PHE 19 1HB PHE 19 2.975 5.386 0.698 155 HD1 PHE 19 1HD PHE 19 4.737 7.001 -2.200 156 HD2 PHE 19 2HD PHE 19 4.848 4.008 0.879 157 HE1 PHE 19 1HE PHE 19 7.034 6.372 -2.893 158 HE2 PHE 19 2HE PHE 19 7.144 3.380 0.186 159 HZ PHE 19 HZ PHE 19 8.237 4.562 -1.700 160 H SER 20 H SER 20 0.469 5.092 0.408 161 HA SER 20 HA SER 20 0.691 2.257 0.503 162 HB2 SER 20 2HB SER 20 -1.780 2.722 1.521 163 HB3 SER 20 1HB SER 20 -0.293 2.924 2.443 164 HG SER 20 HG SER 20 -2.026 4.749 2.046 165 H LEU 21 H LEU 21 -1.509 4.468 -1.199 166 HA LEU 21 HA LEU 21 -3.362 2.671 -2.158 167 HB2 LEU 21 2HB LEU 21 -3.495 5.128 -2.447 168 HB3 LEU 21 1HB LEU 21 -2.178 5.049 -3.619 169 HG LEU 21 HG LEU 21 -4.336 3.158 -4.190 170 HD11 LEU 21 1HD1 LEU 21 -4.880 6.126 -4.047 171 HD12 LEU 21 2HD1 LEU 21 -5.838 4.810 -3.368 172 HD13 LEU 21 3HD1 LEU 21 -5.794 5.059 -5.114 173 HD21 LEU 21 3HD2 LEU 21 -2.388 3.856 -5.664 174 HD22 LEU 21 1HD2 LEU 21 -3.194 5.413 -5.856 175 HD23 LEU 21 2HD2 LEU 21 -3.973 3.940 -6.435 176 H ILE 22 H ILE 22 -0.203 3.565 -3.526 177 HA ILE 22 HA ILE 22 -0.399 1.935 -5.843 178 HB ILE 22 HB ILE 22 2.025 2.974 -4.360 179 HG12 ILE 22 2HG1 ILE 22 0.766 3.941 -6.940 180 HG13 ILE 22 1HG1 ILE 22 0.350 4.618 -5.365 181 HG21 ILE 22 1HG2 ILE 22 1.689 1.433 -6.921 182 HG22 ILE 22 2HG2 ILE 22 2.905 1.238 -5.659 183 HG23 ILE 22 3HG2 ILE 22 3.000 2.604 -6.769 184 HD11 ILE 22 3HD1 ILE 22 2.351 5.699 -5.153 185 HD12 ILE 22 1HD1 ILE 22 2.372 5.569 -6.912 186 HD13 ILE 22 2HD1 ILE 22 3.250 4.395 -5.930 187 H VAL 23 H VAL 23 0.926 1.374 -2.613 188 HA VAL 23 HA VAL 23 2.044 -1.174 -3.120 189 HB VAL 23 HB VAL 23 1.043 0.137 -0.590 190 HG11 VAL 23 1HG1 VAL 23 2.503 -1.768 0.442 191 HG12 VAL 23 2HG1 VAL 23 2.197 -2.600 -1.082 192 HG13 VAL 23 3HG1 VAL 23 0.849 -2.138 -0.044 193 HG21 VAL 23 3HG2 VAL 23 3.820 -0.513 -1.631 194 HG22 VAL 23 1HG2 VAL 23 3.451 0.338 -0.131 195 HG23 VAL 23 2HG2 VAL 23 3.069 1.082 -1.684 196 H THR 24 H THR 24 -1.130 -0.203 -1.842 197 HA THR 24 HA THR 24 -2.131 -2.829 -1.488 198 HB THR 24 HB THR 24 -3.618 -0.235 -1.973 199 HG1 THR 24 1HG THR 24 -2.455 -1.481 0.226 200 HG21 THR 24 3HG2 THR 24 -5.192 -1.898 -0.426 201 HG22 THR 24 1HG2 THR 24 -4.481 -3.011 -1.595 202 HG23 THR 24 2HG2 THR 24 -5.401 -1.614 -2.154 203 H TYR 25 H TYR 25 -2.057 -0.626 -4.228 204 HA TYR 25 HA TYR 25 -3.893 -2.062 -5.869 205 HB2 TYR 25 2HB TYR 25 -3.409 0.227 -6.409 206 HB3 TYR 25 1HB TYR 25 -1.682 -0.111 -6.535 207 HD1 TYR 25 1HD TYR 25 -0.801 -1.487 -8.405 208 HD2 TYR 25 2HD TYR 25 -4.931 -0.325 -8.197 209 HE1 TYR 25 1HE TYR 25 -1.087 -2.073 -10.798 210 HE2 TYR 25 2HE TYR 25 -5.217 -0.910 -10.590 211 HH TYR 25 HH TYR 25 -3.515 -2.795 -12.235 212 H CYS 26 H CYS 26 -0.334 -2.013 -5.708 213 HA CYS 26 HA CYS 26 0.140 -3.889 -7.745 214 HB2 CYS 26 2HB CYS 26 1.721 -3.107 -5.296 215 HB3 CYS 26 1HB CYS 26 2.320 -4.278 -6.472 216 HG CYS 26 HG CYS 26 3.141 -2.193 -7.590 217 H ILE 27 H ILE 27 -0.707 -4.278 -4.360 218 HA ILE 27 HA ILE 27 -0.109 -7.047 -4.173 219 HB ILE 27 HB ILE 27 -1.952 -5.242 -2.603 220 HG12 ILE 27 2HG1 ILE 27 0.691 -5.186 -2.580 221 HG13 ILE 27 1HG1 ILE 27 -0.210 -5.085 -1.068 222 HG21 ILE 27 1HG2 ILE 27 -1.408 -8.194 -2.358 223 HG22 ILE 27 2HG2 ILE 27 -2.952 -7.347 -2.281 224 HG23 ILE 27 3HG2 ILE 27 -1.818 -7.238 -0.935 225 HD11 ILE 27 3HD1 ILE 27 0.217 -7.339 -0.519 226 HD12 ILE 27 1HD1 ILE 27 1.747 -6.780 -1.191 227 HD13 ILE 27 2HD1 ILE 27 0.656 -7.755 -2.174 228 H ASN 28 H ASN 28 -3.132 -5.293 -4.772 229 HA ASN 28 HA ASN 28 -4.855 -7.473 -5.010 230 HB2 ASN 28 2HB ASN 28 -4.844 -4.755 -6.309 231 HB3 ASN 28 1HB ASN 28 -6.119 -5.927 -6.634 232 HD21 ASN 28 1HD2 ASN 28 -6.176 -3.291 -5.076 233 HD22 ASN 28 2HD2 ASN 28 -6.827 -3.713 -3.567 234 H ALA 29 H ALA 29 -2.675 -6.026 -7.388 235 HA ALA 29 HA ALA 29 -3.553 -7.507 -9.632 236 HB1 ALA 29 1HB ALA 29 -0.691 -6.691 -9.332 237 HB2 ALA 29 2HB ALA 29 -1.932 -5.444 -9.439 238 HB3 ALA 29 3HB ALA 29 -1.734 -6.606 -10.751 239 H LYS 30 H LYS 30 -0.843 -8.051 -7.397 240 HA LYS 30 HA LYS 30 0.026 -10.484 -8.536 241 HB2 LYS 30 2HB LYS 30 0.279 -9.477 -5.692 242 HB3 LYS 30 1HB LYS 30 1.170 -10.842 -6.366 243 HG2 LYS 30 2HG LYS 30 2.462 -9.495 -7.752 244 HG3 LYS 30 1HG LYS 30 1.256 -8.208 -7.797 245 HD2 LYS 30 2HD LYS 30 1.900 -7.342 -5.739 246 HD3 LYS 30 1HD LYS 30 2.543 -8.885 -5.175 247 HE2 LYS 30 2HE LYS 30 4.448 -8.688 -6.687 248 HE3 LYS 30 1HE LYS 30 3.787 -7.203 -7.370 249 HZ1 LYS 30 3HZ LYS 30 5.399 -7.490 -5.109 250 HZ2 LYS 30 1HZ LYS 30 3.882 -6.945 -4.582 251 HZ3 LYS 30 2HZ LYS 30 4.741 -6.062 -5.753 252 H ALA 31 H ALA 31 -2.705 -9.714 -6.615 253 HA ALA 31 HA ALA 31 -3.084 -12.432 -5.645 254 HB1 ALA 31 1HB ALA 31 -4.395 -11.461 -4.105 255 HB2 ALA 31 2HB ALA 31 -5.390 -10.709 -5.352 256 HB3 ALA 31 3HB ALA 31 -3.928 -9.902 -4.787 257 H ASP 32 H ASP 32 -4.241 -10.338 -8.168 258 HA ASP 32 HA ASP 32 -6.457 -11.984 -8.934 259 HB2 ASP 32 2HB ASP 32 -5.021 -9.683 -10.232 260 HB3 ASP 32 1HB ASP 32 -6.276 -10.577 -11.086 261 H VAL 33 H VAL 33 -3.084 -11.932 -9.632 262 HA VAL 33 HA VAL 33 -3.084 -13.360 -12.076 263 HB VAL 33 HB VAL 33 -1.036 -13.058 -9.879 264 HG11 VAL 33 1HG1 VAL 33 -0.946 -14.701 -12.412 265 HG12 VAL 33 2HG1 VAL 33 -0.476 -15.175 -10.780 266 HG13 VAL 33 3HG1 VAL 33 0.524 -14.045 -11.691 267 HG21 VAL 33 3HG2 VAL 33 -1.838 -11.299 -11.769 268 HG22 VAL 33 1HG2 VAL 33 -0.627 -12.185 -12.696 269 HG23 VAL 33 2HG2 VAL 33 -0.173 -11.381 -11.193 270 H LEU 34 H LEU 34 -4.021 -14.307 -8.976 271 HA LEU 34 HA LEU 34 -3.205 -17.063 -9.144 272 HB2 LEU 34 2HB LEU 34 -5.022 -15.530 -7.313 273 HB3 LEU 34 1HB LEU 34 -4.844 -17.279 -7.191 274 HG LEU 34 HG LEU 34 -2.467 -17.081 -6.779 275 HD11 LEU 34 1HD1 LEU 34 -2.928 -14.178 -7.464 276 HD12 LEU 34 2HD1 LEU 34 -1.775 -15.303 -8.182 277 HD13 LEU 34 3HD1 LEU 34 -1.517 -14.699 -6.545 278 HD21 LEU 34 3HD2 LEU 34 -2.584 -15.359 -4.779 279 HD22 LEU 34 1HD2 LEU 34 -3.521 -16.851 -4.718 280 HD23 LEU 34 2HD2 LEU 34 -4.304 -15.336 -5.167 281 H PHE 35 H PHE 35 -6.280 -15.371 -9.385 282 HA PHE 35 HA PHE 35 -7.669 -17.739 -10.269 283 HB2 PHE 35 2HB PHE 35 -8.502 -14.846 -10.059 284 HB3 PHE 35 1HB PHE 35 -9.570 -16.118 -10.644 285 HD1 PHE 35 2HD PHE 35 -9.639 -18.295 -9.092 286 HD2 PHE 35 1HD PHE 35 -8.536 -14.356 -7.780 287 HE1 PHE 35 2HE PHE 35 -10.173 -18.925 -6.754 288 HE2 PHE 35 1HE PHE 35 -9.071 -14.986 -5.442 289 HZ PHE 35 HZ PHE 35 -9.889 -17.270 -4.929 290 H ILE 36 H ILE 36 -5.754 -15.421 -11.757 291 HA ILE 36 HA ILE 36 -6.975 -15.886 -14.400 292 HB ILE 36 HB ILE 36 -4.901 -13.843 -13.581 293 HG12 ILE 36 2HG1 ILE 36 -7.846 -13.487 -14.223 294 HG13 ILE 36 1HG1 ILE 36 -7.187 -13.511 -12.587 295 HG21 ILE 36 1HG2 ILE 36 -5.798 -14.829 -16.140 296 HG22 ILE 36 2HG2 ILE 36 -4.590 -13.590 -15.801 297 HG23 ILE 36 3HG2 ILE 36 -6.289 -13.145 -15.954 298 HD11 ILE 36 3HD1 ILE 36 -7.328 -11.205 -13.184 299 HD12 ILE 36 1HD1 ILE 36 -6.639 -11.503 -14.780 300 HD13 ILE 36 2HD1 ILE 36 -5.624 -11.632 -13.343 301 H ALA 37 H ALA 37 -3.864 -14.815 -14.723 302 HA ALA 37 HA ALA 37 -2.899 -16.935 -16.171 303 HB1 ALA 37 1HB ALA 37 -1.198 -15.497 -16.409 304 HB2 ALA 37 2HB ALA 37 -0.683 -15.834 -14.756 305 HB3 ALA 37 3HB ALA 37 -1.824 -14.530 -15.073 306 HA PRO 38 HA PRO 38 -1.752 -20.456 -13.824 307 HB2 PRO 38 2HB PRO 38 1.118 -19.684 -14.148 308 HB3 PRO 38 1HB PRO 38 0.324 -21.235 -14.470 309 HG2 PRO 38 2HG PRO 38 1.012 -19.476 -16.412 310 HG3 PRO 38 1HG PRO 38 -0.336 -20.616 -16.549 311 HD2 PRO 38 2HD PRO 38 -0.415 -17.699 -16.299 312 HD3 PRO 38 1HD PRO 38 -1.713 -18.826 -16.750 313 H ARG 39 H ARG 39 -0.805 -21.125 -11.766 314 HA ARG 39 HA ARG 39 -0.986 -19.111 -9.762 315 HB2 ARG 39 2HB ARG 39 -0.234 -22.020 -9.772 316 HB3 ARG 39 1HB ARG 39 -0.023 -21.049 -8.315 317 HG2 ARG 39 2HG ARG 39 -2.376 -20.448 -8.306 318 HG3 ARG 39 1HG ARG 39 -2.625 -21.255 -9.854 319 HD2 ARG 39 2HD ARG 39 -2.702 -23.319 -8.908 320 HD3 ARG 39 1HD ARG 39 -1.397 -22.955 -7.784 321 HE ARG 39 HE ARG 39 -3.002 -22.408 -6.206 322 HH11 ARG 39 1HH2 ARG 39 -4.340 -22.331 -9.396 323 HH12 ARG 39 2HH2 ARG 39 -5.964 -22.059 -8.857 324 HH21 ARG 39 1HH1 ARG 39 -5.129 -22.052 -5.492 325 HH22 ARG 39 2HH1 ARG 39 -6.410 -21.902 -6.648 326 H GLU 40 H GLU 40 0.517 -17.735 -9.098 327 HA GLU 40 HA GLU 40 3.038 -17.485 -10.167 328 HB2 GLU 40 2HB GLU 40 1.767 -16.514 -7.640 329 HB3 GLU 40 1HB GLU 40 3.503 -16.281 -7.855 330 HG2 GLU 40 2HG GLU 40 1.734 -15.573 -10.151 331 HG3 GLU 40 1HG GLU 40 1.713 -14.501 -8.755 332 HA PRO 41 HA PRO 41 5.863 -20.506 -8.661 333 HB2 PRO 41 2HB PRO 41 7.303 -18.267 -7.306 334 HB3 PRO 41 1HB PRO 41 7.930 -19.517 -8.391 335 HG2 PRO 41 2HG PRO 41 7.433 -16.949 -9.149 336 HG3 PRO 41 1HG PRO 41 7.427 -18.334 -10.251 337 HD2 PRO 41 2HD PRO 41 5.186 -16.696 -9.383 338 HD3 PRO 41 1HD PRO 41 5.240 -17.935 -10.650 339 H GLY 42 H GLY 42 4.983 -17.966 -6.324 340 HA2 GLY 42 2HA GLY 42 3.806 -18.445 -4.293 341 HA3 GLY 42 1HA GLY 42 4.515 -20.057 -4.301 342 H ALA 43 H ALA 43 7.199 -19.127 -4.930 343 HA ALA 43 HA ALA 43 7.928 -18.144 -2.253 344 HB1 ALA 43 1HB ALA 43 10.234 -18.943 -2.936 345 HB2 ALA 43 2HB ALA 43 9.482 -19.625 -4.379 346 HB3 ALA 43 3HB ALA 43 9.013 -20.207 -2.782 347 H VAL 44 H VAL 44 10.369 -17.871 -4.577 348 HA VAL 44 HA VAL 44 10.207 -14.951 -4.447 349 HB VAL 44 HB VAL 44 12.393 -16.770 -5.489 350 HG11 VAL 44 1HG1 VAL 44 12.031 -13.806 -5.357 351 HG12 VAL 44 2HG1 VAL 44 12.867 -14.782 -6.564 352 HG13 VAL 44 3HG1 VAL 44 13.634 -14.455 -5.009 353 HG21 VAL 44 3HG2 VAL 44 13.317 -15.421 -3.257 354 HG22 VAL 44 1HG2 VAL 44 12.753 -17.091 -3.273 355 HG23 VAL 44 2HG2 VAL 44 11.649 -15.791 -2.820 356 H SER 45 H SER 45 10.009 -13.633 -6.213 357 HA SER 45 HA SER 45 8.856 -14.841 -8.589 358 HB2 SER 45 2HB SER 45 8.634 -12.399 -9.281 359 HB3 SER 45 1HB SER 45 7.749 -12.878 -7.836 360 HG SER 45 HG SER 45 9.893 -12.203 -6.793 361 H TYR 46 H TYR 46 9.601 -14.365 -10.743 362 HA TYR 46 HA TYR 46 12.431 -13.573 -10.949 363 HB2 TYR 46 2HB TYR 46 12.514 -15.980 -10.903 364 HB3 TYR 46 1HB TYR 46 11.202 -16.097 -12.076 365 HD1 TYR 46 2HD TYR 46 14.547 -14.422 -11.717 366 HD2 TYR 46 1HD TYR 46 11.782 -16.448 -14.307 367 HE1 TYR 46 2HE TYR 46 16.193 -14.305 -13.568 368 HE2 TYR 46 1HE TYR 46 13.428 -16.329 -16.158 369 HH TYR 46 HH TYR 46 16.663 -15.604 -15.693 Start of MODEL 5 1 H ALA 1 1HT ALA 1 2.313 30.798 13.347 2 HA ALA 1 HA ALA 1 2.347 29.779 11.383 3 HB1 ALA 1 2HB ALA 1 4.188 27.966 12.971 4 HB2 ALA 1 3HB ALA 1 4.646 29.415 12.076 5 HB3 ALA 1 1HB ALA 1 4.092 27.982 11.209 6 H SER 2 H SER 2 0.095 29.002 12.893 7 HA SER 2 HA SER 2 -0.315 26.200 12.957 8 HB2 SER 2 2HB SER 2 -1.746 28.435 13.750 9 HB3 SER 2 1HB SER 2 -2.724 27.768 12.446 10 HG SER 2 HG SER 2 -2.770 25.813 13.520 11 H LYS 3 H LYS 3 -1.156 28.676 10.545 12 HA LYS 3 HA LYS 3 -2.502 27.053 8.716 13 HB2 LYS 3 2HB LYS 3 -0.902 29.580 8.468 14 HB3 LYS 3 1HB LYS 3 -1.484 28.768 7.015 15 HG2 LYS 3 2HG LYS 3 -3.727 29.097 7.566 16 HG3 LYS 3 1HG LYS 3 -3.383 29.261 9.288 17 HD2 LYS 3 2HD LYS 3 -2.431 31.448 8.971 18 HD3 LYS 3 1HD LYS 3 -2.469 31.271 7.217 19 HE2 LYS 3 2HE LYS 3 -4.825 31.436 7.132 20 HE3 LYS 3 1HE LYS 3 -4.995 31.108 8.856 21 HZ1 LYS 3 3HZ LYS 3 -3.352 33.366 8.473 22 HZ2 LYS 3 1HZ LYS 3 -4.839 33.260 9.283 23 HZ3 LYS 3 2HZ LYS 3 -4.801 33.580 7.614 24 H GLU 4 H GLU 4 0.966 27.713 9.060 25 HA GLU 4 HA GLU 4 1.836 26.318 6.770 26 HB2 GLU 4 2HB GLU 4 3.029 27.618 9.035 27 HB3 GLU 4 1HB GLU 4 3.817 26.062 8.773 28 HG2 GLU 4 2HG GLU 4 3.333 28.113 6.594 29 HG3 GLU 4 1HG GLU 4 4.857 27.932 7.464 30 H LEU 5 H LEU 5 1.600 25.264 10.170 31 HA LEU 5 HA LEU 5 2.512 22.643 9.806 32 HB2 LEU 5 2HB LEU 5 0.651 23.898 11.812 33 HB3 LEU 5 1HB LEU 5 1.024 22.174 11.859 34 HG LEU 5 HG LEU 5 3.330 24.036 11.586 35 HD11 LEU 5 1HD1 LEU 5 3.371 24.396 14.050 36 HD12 LEU 5 2HD1 LEU 5 1.768 23.668 14.161 37 HD13 LEU 5 3HD1 LEU 5 1.989 25.182 13.286 38 HD21 LEU 5 3HD2 LEU 5 2.820 21.584 13.302 39 HD22 LEU 5 1HD2 LEU 5 4.382 22.345 13.004 40 HD23 LEU 5 2HD2 LEU 5 3.526 21.544 11.687 41 H GLU 6 H GLU 6 -0.787 23.954 9.655 42 HA GLU 6 HA GLU 6 -2.161 21.555 9.228 43 HB2 GLU 6 2HB GLU 6 -2.707 24.405 8.429 44 HB3 GLU 6 1HB GLU 6 -3.802 23.103 7.964 45 HG2 GLU 6 2HG GLU 6 -2.934 23.188 10.813 46 HG3 GLU 6 1HG GLU 6 -4.068 24.430 10.283 47 H LEU 7 H LEU 7 -0.743 23.813 6.872 48 HA LEU 7 HA LEU 7 -1.521 22.417 4.551 49 HB2 LEU 7 2HB LEU 7 -0.089 24.753 5.129 50 HB3 LEU 7 1HB LEU 7 1.050 23.726 4.261 51 HG LEU 7 HG LEU 7 -0.709 23.345 2.512 52 HD11 LEU 7 1HD1 LEU 7 -2.826 23.921 3.017 53 HD12 LEU 7 2HD1 LEU 7 -2.334 25.610 2.905 54 HD13 LEU 7 3HD1 LEU 7 -2.304 24.784 4.463 55 HD21 LEU 7 3HD2 LEU 7 -0.602 25.799 1.673 56 HD22 LEU 7 1HD2 LEU 7 0.921 24.949 1.930 57 HD23 LEU 7 2HD2 LEU 7 0.341 26.103 3.132 58 H ILE 8 H ILE 8 1.472 22.276 6.468 59 HA ILE 8 HA ILE 8 2.862 20.448 4.862 60 HB ILE 8 HB ILE 8 2.977 20.858 7.856 61 HG12 ILE 8 2HG1 ILE 8 3.491 22.740 6.050 62 HG13 ILE 8 1HG1 ILE 8 4.524 22.539 7.462 63 HG21 ILE 8 1HG2 ILE 8 5.354 19.928 7.444 64 HG22 ILE 8 2HG2 ILE 8 4.698 19.297 5.934 65 HG23 ILE 8 3HG2 ILE 8 4.021 18.779 7.478 66 HD11 ILE 8 3HD1 ILE 8 6.197 21.418 6.224 67 HD12 ILE 8 1HD1 ILE 8 5.674 22.719 5.154 68 HD13 ILE 8 2HD1 ILE 8 5.101 21.073 4.886 69 H THR 9 H THR 9 0.735 19.868 7.656 70 HA THR 9 HA THR 9 0.991 17.067 7.708 71 HB THR 9 HB THR 9 -1.321 18.832 8.542 72 HG1 THR 9 1HG THR 9 0.890 17.676 9.881 73 HG21 THR 9 3HG2 THR 9 -2.438 16.862 8.660 74 HG22 THR 9 1HG2 THR 9 -1.428 16.557 10.074 75 HG23 THR 9 2HG2 THR 9 -0.960 15.911 8.501 76 H LEU 10 H LEU 10 -1.367 19.156 6.058 77 HA LEU 10 HA LEU 10 -2.975 17.150 4.976 78 HB2 LEU 10 2HB LEU 10 -2.520 19.997 4.520 79 HB3 LEU 10 1HB LEU 10 -2.938 19.142 3.037 80 HG LEU 10 HG LEU 10 -4.945 19.993 4.245 81 HD11 LEU 10 1HD1 LEU 10 -5.453 17.174 4.658 82 HD12 LEU 10 2HD1 LEU 10 -4.510 17.415 3.189 83 HD13 LEU 10 3HD1 LEU 10 -6.059 18.236 3.388 84 HD21 LEU 10 3HD2 LEU 10 -3.560 19.101 6.506 85 HD22 LEU 10 1HD2 LEU 10 -4.896 17.962 6.337 86 HD23 LEU 10 2HD2 LEU 10 -5.222 19.688 6.466 87 H THR 11 H THR 11 -0.032 18.650 3.683 88 HA THR 11 HA THR 11 -0.032 17.304 1.201 89 HB THR 11 HB THR 11 2.251 18.425 2.839 90 HG1 THR 11 1HG THR 11 1.235 19.512 0.475 91 HG21 THR 11 3HG2 THR 11 2.125 17.322 0.028 92 HG22 THR 11 1HG2 THR 11 3.228 16.863 1.327 93 HG23 THR 11 2HG2 THR 11 3.388 18.438 0.549 94 H VAL 12 H VAL 12 1.506 16.521 4.309 95 HA VAL 12 HA VAL 12 2.834 14.183 3.463 96 HB VAL 12 HB VAL 12 1.799 15.035 6.173 97 HG11 VAL 12 1HG1 VAL 12 3.131 12.534 5.249 98 HG12 VAL 12 2HG1 VAL 12 2.022 12.785 6.597 99 HG13 VAL 12 3HG1 VAL 12 3.718 13.243 6.753 100 HG21 VAL 12 3HG2 VAL 12 4.682 14.807 5.411 101 HG22 VAL 12 1HG2 VAL 12 3.899 15.944 6.509 102 HG23 VAL 12 2HG2 VAL 12 3.765 16.169 4.765 103 H GLY 13 H GLY 13 -0.462 14.774 4.459 104 HA2 GLY 13 2HA GLY 13 -1.199 12.031 4.832 105 HA3 GLY 13 1HA GLY 13 -2.299 13.397 4.692 106 H PHE 14 H PHE 14 -1.621 14.388 2.231 107 HA PHE 14 HA PHE 14 -3.055 12.671 0.485 108 HB2 PHE 14 2HB PHE 14 -3.088 15.124 0.244 109 HB3 PHE 14 1HB PHE 14 -1.371 15.108 -0.159 110 HD1 PHE 14 2HD PHE 14 -4.640 13.614 -1.218 111 HD2 PHE 14 1HD PHE 14 -0.701 14.858 -2.395 112 HE1 PHE 14 2HE PHE 14 -5.199 13.142 -3.587 113 HE2 PHE 14 1HE PHE 14 -1.261 14.386 -4.765 114 HZ PHE 14 HZ PHE 14 -3.509 13.528 -5.361 115 H GLY 15 H GLY 15 0.322 13.284 1.120 116 HA2 GLY 15 2HA GLY 15 1.315 11.920 -1.211 117 HA3 GLY 15 1HA GLY 15 2.255 12.369 0.211 118 H ILE 16 H ILE 16 0.636 11.038 2.145 119 HA ILE 16 HA ILE 16 1.767 8.408 1.957 120 HB ILE 16 HB ILE 16 -0.174 9.681 3.879 121 HG12 ILE 16 2HG1 ILE 16 2.593 8.621 4.428 122 HG13 ILE 16 1HG1 ILE 16 2.370 10.228 3.739 123 HG21 ILE 16 1HG2 ILE 16 -0.803 7.425 4.026 124 HG22 ILE 16 2HG2 ILE 16 0.460 7.553 5.249 125 HG23 ILE 16 3HG2 ILE 16 0.827 6.849 3.674 126 HD11 ILE 16 3HD1 ILE 16 2.489 10.378 6.183 127 HD12 ILE 16 1HD1 ILE 16 1.168 9.220 6.332 128 HD13 ILE 16 2HD1 ILE 16 0.869 10.811 5.633 129 H LEU 17 H LEU 17 -1.441 9.784 1.478 130 HA LEU 17 HA LEU 17 -2.867 7.358 1.248 131 HB2 LEU 17 2HB LEU 17 -3.410 10.131 0.938 132 HB3 LEU 17 1HB LEU 17 -3.951 9.327 -0.533 133 HG LEU 17 HG LEU 17 -5.754 9.378 1.137 134 HD11 LEU 17 1HD1 LEU 17 -5.091 6.524 1.312 135 HD12 LEU 17 2HD1 LEU 17 -4.906 7.188 -0.310 136 HD13 LEU 17 3HD1 LEU 17 -6.454 7.316 0.524 137 HD21 LEU 17 3HD2 LEU 17 -5.436 8.900 3.328 138 HD22 LEU 17 1HD2 LEU 17 -3.712 9.000 2.972 139 HD23 LEU 17 2HD2 LEU 17 -4.523 7.435 2.958 140 H ILE 18 H ILE 18 -1.162 9.315 -1.172 141 HA ILE 18 HA ILE 18 -1.905 7.751 -3.414 142 HB ILE 18 HB ILE 18 0.493 9.524 -2.914 143 HG12 ILE 18 2HG1 ILE 18 -2.045 10.316 -3.035 144 HG13 ILE 18 1HG1 ILE 18 -0.767 11.248 -3.813 145 HG21 ILE 18 1HG2 ILE 18 1.183 8.093 -4.659 146 HG22 ILE 18 2HG2 ILE 18 0.529 9.503 -5.496 147 HG23 ILE 18 3HG2 ILE 18 -0.431 8.028 -5.364 148 HD11 ILE 18 3HD1 ILE 18 -2.248 9.075 -5.298 149 HD12 ILE 18 1HD1 ILE 18 -1.305 10.412 -5.960 150 HD13 ILE 18 2HD1 ILE 18 -2.871 10.721 -5.212 151 H PHE 19 H PHE 19 0.745 7.540 -1.092 152 HA PHE 19 HA PHE 19 2.174 5.484 -2.459 153 HB2 PHE 19 2HB PHE 19 2.591 7.087 -0.202 154 HB3 PHE 19 1HB PHE 19 2.538 5.435 0.414 155 HD1 PHE 19 1HD PHE 19 3.894 7.250 -2.584 156 HD2 PHE 19 2HD PHE 19 4.573 4.297 0.462 157 HE1 PHE 19 1HE PHE 19 6.172 6.849 -3.478 158 HE2 PHE 19 2HE PHE 19 6.851 3.898 -0.432 159 HZ PHE 19 HZ PHE 19 7.651 5.175 -2.402 160 H SER 20 H SER 20 -0.175 5.467 0.214 161 HA SER 20 HA SER 20 -0.105 2.687 0.669 162 HB2 SER 20 2HB SER 20 -1.601 4.940 1.626 163 HB3 SER 20 1HB SER 20 -2.714 3.625 1.253 164 HG SER 20 HG SER 20 -1.614 3.697 3.418 165 H LEU 21 H LEU 21 -1.974 4.657 -1.577 166 HA LEU 21 HA LEU 21 -3.769 2.638 -2.401 167 HB2 LEU 21 2HB LEU 21 -4.181 5.001 -2.816 168 HB3 LEU 21 1HB LEU 21 -2.741 5.100 -3.828 169 HG LEU 21 HG LEU 21 -4.543 2.933 -4.598 170 HD11 LEU 21 1HD1 LEU 21 -5.491 5.801 -4.621 171 HD12 LEU 21 2HD1 LEU 21 -6.318 4.398 -3.949 172 HD13 LEU 21 3HD1 LEU 21 -6.156 4.572 -5.697 173 HD21 LEU 21 3HD2 LEU 21 -3.986 3.681 -6.789 174 HD22 LEU 21 1HD2 LEU 21 -2.530 3.956 -5.832 175 HD23 LEU 21 2HD2 LEU 21 -3.600 5.304 -6.216 176 H ILE 22 H ILE 22 -0.583 3.663 -3.534 177 HA ILE 22 HA ILE 22 -0.541 1.998 -5.847 178 HB ILE 22 HB ILE 22 1.679 3.265 -4.235 179 HG12 ILE 22 2HG1 ILE 22 0.735 3.920 -7.029 180 HG13 ILE 22 1HG1 ILE 22 -0.032 4.636 -5.611 181 HG21 ILE 22 1HG2 ILE 22 1.714 1.394 -6.562 182 HG22 ILE 22 2HG2 ILE 22 2.895 1.597 -5.267 183 HG23 ILE 22 3HG2 ILE 22 2.836 2.754 -6.598 184 HD11 ILE 22 3HD1 ILE 22 1.773 6.083 -6.517 185 HD12 ILE 22 1HD1 ILE 22 2.932 4.782 -6.242 186 HD13 ILE 22 2HD1 ILE 22 2.121 5.546 -4.874 187 H VAL 23 H VAL 23 0.315 1.512 -2.486 188 HA VAL 23 HA VAL 23 1.717 -0.940 -2.814 189 HB VAL 23 HB VAL 23 0.218 0.137 -0.413 190 HG11 VAL 23 1HG1 VAL 23 2.037 -2.206 -0.866 191 HG12 VAL 23 2HG1 VAL 23 0.573 -2.103 0.111 192 HG13 VAL 23 3HG1 VAL 23 2.072 -1.376 0.689 193 HG21 VAL 23 3HG2 VAL 23 3.080 0.241 -0.217 194 HG22 VAL 23 1HG2 VAL 23 1.932 1.581 -0.185 195 HG23 VAL 23 2HG2 VAL 23 2.591 1.019 -1.723 196 H THR 24 H THR 24 -1.660 -0.151 -2.026 197 HA THR 24 HA THR 24 -2.535 -2.837 -1.750 198 HB THR 24 HB THR 24 -4.028 -0.288 -2.393 199 HG1 THR 24 1HG THR 24 -3.624 -1.850 -0.066 200 HG21 THR 24 3HG2 THR 24 -5.593 -1.791 -3.139 201 HG22 THR 24 1HG2 THR 24 -5.926 -1.914 -1.412 202 HG23 THR 24 2HG2 THR 24 -4.914 -3.124 -2.203 203 H TYR 25 H TYR 25 -2.134 -0.692 -4.485 204 HA TYR 25 HA TYR 25 -3.670 -2.177 -6.364 205 HB2 TYR 25 2HB TYR 25 -2.968 0.177 -6.721 206 HB3 TYR 25 1HB TYR 25 -1.297 -0.368 -6.880 207 HD1 TYR 25 2HD TYR 25 -4.673 -0.486 -8.401 208 HD2 TYR 25 1HD TYR 25 -0.524 -1.500 -8.866 209 HE1 TYR 25 2HE TYR 25 -5.067 -1.004 -10.794 210 HE2 TYR 25 1HE TYR 25 -0.919 -2.019 -11.259 211 HH TYR 25 HH TYR 25 -3.046 -2.763 -12.651 212 H CYS 26 H CYS 26 -0.199 -2.147 -5.575 213 HA CYS 26 HA CYS 26 0.619 -4.041 -7.486 214 HB2 CYS 26 2HB CYS 26 1.746 -3.310 -4.779 215 HB3 CYS 26 1HB CYS 26 2.548 -4.415 -5.897 216 HG CYS 26 HG CYS 26 1.906 -1.457 -6.703 217 H ILE 27 H ILE 27 -0.599 -4.403 -4.182 218 HA ILE 27 HA ILE 27 -0.141 -7.204 -3.983 219 HB ILE 27 HB ILE 27 -2.085 -5.375 -2.566 220 HG12 ILE 27 2HG1 ILE 27 0.368 -6.768 -1.480 221 HG13 ILE 27 1HG1 ILE 27 0.476 -5.196 -2.273 222 HG21 ILE 27 1HG2 ILE 27 -2.107 -7.368 -0.910 223 HG22 ILE 27 2HG2 ILE 27 -1.534 -8.329 -2.274 224 HG23 ILE 27 3HG2 ILE 27 -3.090 -7.507 -2.366 225 HD11 ILE 27 3HD1 ILE 27 -0.453 -4.113 -0.509 226 HD12 ILE 27 1HD1 ILE 27 -0.050 -5.567 0.403 227 HD13 ILE 27 2HD1 ILE 27 -1.670 -5.366 -0.266 228 H ASN 28 H ASN 28 -2.993 -5.303 -4.926 229 HA ASN 28 HA ASN 28 -4.818 -7.362 -5.292 230 HB2 ASN 28 2HB ASN 28 -4.439 -4.748 -6.749 231 HB3 ASN 28 1HB ASN 28 -5.783 -5.833 -7.098 232 HD21 ASN 28 1HD2 ASN 28 -5.063 -3.144 -5.310 233 HD22 ASN 28 2HD2 ASN 28 -6.158 -3.353 -4.030 234 H ALA 29 H ALA 29 -2.303 -6.175 -7.488 235 HA ALA 29 HA ALA 29 -3.033 -7.825 -9.686 236 HB1 ALA 29 1HB ALA 29 -0.191 -7.075 -9.408 237 HB2 ALA 29 2HB ALA 29 -1.336 -5.735 -9.382 238 HB3 ALA 29 3HB ALA 29 -1.294 -6.833 -10.761 239 H LYS 30 H LYS 30 -0.513 -8.139 -7.202 240 HA LYS 30 HA LYS 30 0.531 -10.600 -8.067 241 HB2 LYS 30 2HB LYS 30 0.424 -9.324 -5.330 242 HB3 LYS 30 1HB LYS 30 1.300 -10.818 -5.666 243 HG2 LYS 30 2HG LYS 30 2.808 -9.743 -7.133 244 HG3 LYS 30 1HG LYS 30 1.757 -8.339 -7.319 245 HD2 LYS 30 2HD LYS 30 2.319 -7.471 -5.222 246 HD3 LYS 30 1HD LYS 30 2.832 -9.041 -4.603 247 HE2 LYS 30 2HE LYS 30 4.680 -7.333 -5.193 248 HE3 LYS 30 1HE LYS 30 4.872 -8.980 -5.796 249 HZ1 LYS 30 3HZ LYS 30 4.630 -6.572 -7.256 250 HZ2 LYS 30 1HZ LYS 30 3.361 -7.615 -7.674 251 HZ3 LYS 30 2HZ LYS 30 4.970 -8.137 -7.825 252 H ALA 31 H ALA 31 -2.328 -9.813 -6.240 253 HA ALA 31 HA ALA 31 -2.766 -12.531 -5.349 254 HB1 ALA 31 1HB ALA 31 -3.487 -10.405 -4.112 255 HB2 ALA 31 2HB ALA 31 -4.676 -11.702 -4.234 256 HB3 ALA 31 3HB ALA 31 -4.787 -10.303 -5.300 257 H ASP 32 H ASP 32 -3.840 -10.438 -7.922 258 HA ASP 32 HA ASP 32 -6.002 -12.056 -8.802 259 HB2 ASP 32 2HB ASP 32 -4.371 -9.900 -10.125 260 HB3 ASP 32 1HB ASP 32 -5.659 -10.750 -10.975 261 H VAL 33 H VAL 33 -2.583 -12.100 -9.350 262 HA VAL 33 HA VAL 33 -2.506 -13.658 -11.696 263 HB VAL 33 HB VAL 33 -0.528 -13.550 -9.410 264 HG11 VAL 33 1HG1 VAL 33 0.960 -14.134 -11.555 265 HG12 VAL 33 2HG1 VAL 33 -0.546 -14.887 -12.080 266 HG13 VAL 33 3HG1 VAL 33 0.219 -15.398 -10.574 267 HG21 VAL 33 3HG2 VAL 33 0.090 -12.215 -11.950 268 HG22 VAL 33 1HG2 VAL 33 0.226 -11.604 -10.302 269 HG23 VAL 33 2HG2 VAL 33 -1.322 -11.538 -11.143 270 H LEU 34 H LEU 34 -3.910 -14.461 -8.835 271 HA LEU 34 HA LEU 34 -3.078 -17.233 -8.701 272 HB2 LEU 34 2HB LEU 34 -5.249 -15.713 -7.256 273 HB3 LEU 34 1HB LEU 34 -4.760 -17.365 -6.884 274 HG LEU 34 HG LEU 34 -2.909 -14.961 -6.821 275 HD11 LEU 34 1HD1 LEU 34 -3.005 -15.403 -4.314 276 HD12 LEU 34 2HD1 LEU 34 -4.414 -16.416 -4.638 277 HD13 LEU 34 3HD1 LEU 34 -4.456 -14.694 -5.022 278 HD21 LEU 34 3HD2 LEU 34 -2.592 -17.900 -6.389 279 HD22 LEU 34 1HD2 LEU 34 -1.674 -16.816 -5.346 280 HD23 LEU 34 2HD2 LEU 34 -1.470 -16.741 -7.095 281 H PHE 35 H PHE 35 -6.126 -15.590 -9.217 282 HA PHE 35 HA PHE 35 -7.308 -17.973 -10.369 283 HB2 PHE 35 2HB PHE 35 -8.410 -15.205 -9.891 284 HB3 PHE 35 1HB PHE 35 -9.336 -16.510 -10.625 285 HD1 PHE 35 2HD PHE 35 -9.568 -18.714 -9.308 286 HD2 PHE 35 1HD PHE 35 -8.211 -15.035 -7.555 287 HE1 PHE 35 2HE PHE 35 -10.088 -19.598 -7.050 288 HE2 PHE 35 1HE PHE 35 -8.732 -15.919 -5.297 289 HZ PHE 35 HZ PHE 35 -9.669 -18.201 -5.045 290 H ILE 36 H ILE 36 -5.610 -15.275 -11.494 291 HA ILE 36 HA ILE 36 -6.728 -15.530 -14.203 292 HB ILE 36 HB ILE 36 -4.807 -13.463 -13.118 293 HG12 ILE 36 2HG1 ILE 36 -6.921 -13.289 -11.926 294 HG13 ILE 36 1HG1 ILE 36 -6.823 -11.978 -13.096 295 HG21 ILE 36 1HG2 ILE 36 -5.612 -14.130 -15.759 296 HG22 ILE 36 2HG2 ILE 36 -4.662 -12.739 -15.239 297 HG23 ILE 36 3HG2 ILE 36 -6.417 -12.616 -15.344 298 HD11 ILE 36 3HD1 ILE 36 -8.990 -12.776 -13.449 299 HD12 ILE 36 1HD1 ILE 36 -8.523 -14.453 -13.164 300 HD13 ILE 36 2HD1 ILE 36 -8.084 -13.660 -14.675 301 H ALA 37 H ALA 37 -3.813 -14.150 -14.501 302 HA ALA 37 HA ALA 37 -2.663 -16.056 -16.110 303 HB1 ALA 37 1HB ALA 37 -1.804 -13.616 -14.857 304 HB2 ALA 37 2HB ALA 37 -1.225 -14.359 -16.347 305 HB3 ALA 37 3HB ALA 37 -0.498 -14.800 -14.802 306 HA PRO 38 HA PRO 38 -0.993 -19.534 -14.033 307 HB2 PRO 38 2HB PRO 38 1.748 -18.425 -14.447 308 HB3 PRO 38 1HB PRO 38 1.112 -20.034 -14.831 309 HG2 PRO 38 2HG PRO 38 1.500 -18.082 -16.680 310 HG3 PRO 38 1HG PRO 38 0.306 -19.378 -16.840 311 HD2 PRO 38 2HD PRO 38 -0.150 -16.520 -16.427 312 HD3 PRO 38 1HD PRO 38 -1.315 -17.789 -16.857 313 H ARG 39 H ARG 39 -0.141 -20.166 -12.000 314 HA ARG 39 HA ARG 39 -0.330 -18.276 -9.923 315 HB2 ARG 39 2HB ARG 39 0.672 -21.094 -10.110 316 HB3 ARG 39 1HB ARG 39 0.945 -20.171 -8.631 317 HG2 ARG 39 2HG ARG 39 -1.431 -19.760 -8.379 318 HG3 ARG 39 1HG ARG 39 -1.766 -20.507 -9.942 319 HD2 ARG 39 2HD ARG 39 -2.209 -22.030 -8.002 320 HD3 ARG 39 1HD ARG 39 -1.024 -22.667 -9.138 321 HE ARG 39 HE ARG 39 0.163 -21.183 -6.963 322 HH11 ARG 39 1HH2 ARG 39 -1.092 -24.222 -8.039 323 HH12 ARG 39 2HH2 ARG 39 -0.157 -25.160 -6.924 324 HH21 ARG 39 1HH1 ARG 39 1.391 -22.406 -5.495 325 HH22 ARG 39 2HH1 ARG 39 1.248 -24.132 -5.484 326 H GLU 40 H GLU 40 1.288 -17.465 -8.510 327 HA GLU 40 HA GLU 40 3.466 -16.260 -9.741 328 HB2 GLU 40 2HB GLU 40 4.168 -16.545 -7.025 329 HB3 GLU 40 1HB GLU 40 3.394 -15.159 -7.793 330 HG2 GLU 40 2HG GLU 40 1.190 -16.072 -7.351 331 HG3 GLU 40 1HG GLU 40 1.889 -17.573 -6.747 332 HA PRO 41 HA PRO 41 6.942 -18.912 -10.149 333 HB2 PRO 41 2HB PRO 41 8.216 -17.520 -7.827 334 HB3 PRO 41 1HB PRO 41 8.875 -17.861 -9.437 335 HG2 PRO 41 2HG PRO 41 7.963 -15.427 -8.697 336 HG3 PRO 41 1HG PRO 41 7.923 -16.022 -10.364 337 HD2 PRO 41 2HD PRO 41 5.679 -15.548 -8.527 338 HD3 PRO 41 1HD PRO 41 5.661 -15.803 -10.284 339 H GLY 42 H GLY 42 5.957 -18.282 -6.794 340 HA2 GLY 42 2HA GLY 42 5.269 -19.889 -5.222 341 HA3 GLY 42 1HA GLY 42 5.939 -21.153 -6.250 342 H ALA 43 H ALA 43 7.726 -18.272 -5.417 343 HA ALA 43 HA ALA 43 9.640 -17.929 -4.202 344 HB1 ALA 43 1HB ALA 43 9.085 -20.346 -2.536 345 HB2 ALA 43 2HB ALA 43 7.997 -18.963 -2.424 346 HB3 ALA 43 3HB ALA 43 9.710 -18.771 -2.051 347 H VAL 44 H VAL 44 9.753 -19.625 -6.547 348 HA VAL 44 HA VAL 44 11.875 -20.397 -7.431 349 HB VAL 44 HB VAL 44 12.065 -21.999 -4.861 350 HG11 VAL 44 1HG1 VAL 44 13.006 -23.388 -6.487 351 HG12 VAL 44 2HG1 VAL 44 14.382 -22.477 -5.867 352 HG13 VAL 44 3HG1 VAL 44 13.653 -22.028 -7.409 353 HG21 VAL 44 3HG2 VAL 44 12.776 -19.338 -5.443 354 HG22 VAL 44 1HG2 VAL 44 14.276 -20.241 -5.629 355 HG23 VAL 44 2HG2 VAL 44 13.401 -20.298 -4.100 356 H SER 45 H SER 45 11.401 -21.665 -9.102 357 HA SER 45 HA SER 45 9.191 -23.484 -9.004 358 HB2 SER 45 2HB SER 45 11.214 -22.718 -11.080 359 HB3 SER 45 1HB SER 45 10.233 -24.160 -11.323 360 HG SER 45 HG SER 45 8.642 -22.894 -11.812 361 H TYR 46 H TYR 46 9.302 -25.360 -7.948 362 HA TYR 46 HA TYR 46 11.833 -26.761 -7.646 363 HB2 TYR 46 2HB TYR 46 9.994 -26.542 -5.853 364 HB3 TYR 46 1HB TYR 46 9.140 -27.785 -6.767 365 HD1 TYR 46 2HD TYR 46 12.131 -27.033 -4.746 366 HD2 TYR 46 1HD TYR 46 9.990 -30.064 -6.909 367 HE1 TYR 46 2HE TYR 46 13.542 -28.782 -3.695 368 HE2 TYR 46 1HE TYR 46 11.401 -31.812 -5.859 369 HH TYR 46 HH TYR 46 14.235 -31.029 -4.025 Start of MODEL 6 1 H ALA 1 1HT ALA 1 0.744 30.963 12.045 2 HA ALA 1 HA ALA 1 2.496 30.229 10.497 3 HB1 ALA 1 2HB ALA 1 4.424 29.079 11.351 4 HB2 ALA 1 3HB ALA 1 3.796 29.124 12.998 5 HB3 ALA 1 1HB ALA 1 4.326 30.612 12.215 6 H SER 2 H SER 2 0.315 29.355 12.803 7 HA SER 2 HA SER 2 0.311 26.573 12.903 8 HB2 SER 2 2HB SER 2 -1.786 26.764 13.808 9 HB3 SER 2 1HB SER 2 -1.276 28.444 13.960 10 HG SER 2 HG SER 2 -2.674 27.355 11.739 11 H LYS 3 H LYS 3 -0.873 28.756 10.396 12 HA LYS 3 HA LYS 3 -2.236 26.835 8.829 13 HB2 LYS 3 2HB LYS 3 -2.675 29.119 8.363 14 HB3 LYS 3 1HB LYS 3 -0.961 29.488 8.170 15 HG2 LYS 3 2HG LYS 3 -0.855 28.572 6.055 16 HG3 LYS 3 1HG LYS 3 -2.128 27.395 6.385 17 HD2 LYS 3 2HD LYS 3 -2.914 29.117 4.807 18 HD3 LYS 3 1HD LYS 3 -3.813 29.199 6.323 19 HE2 LYS 3 2HE LYS 3 -2.535 31.088 7.076 20 HE3 LYS 3 1HE LYS 3 -1.379 30.906 5.758 21 HZ1 LYS 3 3HZ LYS 3 -2.763 31.866 4.286 22 HZ2 LYS 3 1HZ LYS 3 -3.433 32.581 5.672 23 HZ3 LYS 3 2HZ LYS 3 -4.164 31.208 4.987 24 H GLU 4 H GLU 4 1.094 28.088 8.672 25 HA GLU 4 HA GLU 4 1.998 26.718 6.434 26 HB2 GLU 4 2HB GLU 4 3.481 27.386 8.989 27 HB3 GLU 4 1HB GLU 4 4.254 26.859 7.494 28 HG2 GLU 4 2HG GLU 4 2.367 29.202 7.491 29 HG3 GLU 4 1HG GLU 4 4.056 29.414 7.948 30 H LEU 5 H LEU 5 2.083 25.644 9.838 31 HA LEU 5 HA LEU 5 3.190 23.097 9.337 32 HB2 LEU 5 2HB LEU 5 1.393 24.046 11.580 33 HB3 LEU 5 1HB LEU 5 2.258 22.509 11.574 34 HG LEU 5 HG LEU 5 3.838 24.980 11.017 35 HD11 LEU 5 1HD1 LEU 5 2.663 24.225 13.697 36 HD12 LEU 5 2HD1 LEU 5 2.646 25.800 12.904 37 HD13 LEU 5 3HD1 LEU 5 4.152 25.160 13.563 38 HD21 LEU 5 3HD2 LEU 5 4.767 22.635 11.008 39 HD22 LEU 5 1HD2 LEU 5 4.388 22.536 12.728 40 HD23 LEU 5 2HD2 LEU 5 5.567 23.714 12.151 41 H GLU 6 H GLU 6 -0.181 24.190 9.576 42 HA GLU 6 HA GLU 6 -1.404 21.667 9.317 43 HB2 GLU 6 2HB GLU 6 -2.255 24.494 8.880 44 HB3 GLU 6 1HB GLU 6 -3.280 23.208 8.244 45 HG2 GLU 6 2HG GLU 6 -2.267 23.020 11.063 46 HG3 GLU 6 1HG GLU 6 -3.638 24.069 10.708 47 H LEU 7 H LEU 7 -0.281 24.001 6.911 48 HA LEU 7 HA LEU 7 -1.380 22.778 4.626 49 HB2 LEU 7 2HB LEU 7 0.281 24.976 5.178 50 HB3 LEU 7 1HB LEU 7 1.202 23.951 4.077 51 HG LEU 7 HG LEU 7 -1.654 24.871 3.619 52 HD11 LEU 7 1HD1 LEU 7 0.528 26.455 3.406 53 HD12 LEU 7 2HD1 LEU 7 -0.851 26.576 2.316 54 HD13 LEU 7 3HD1 LEU 7 0.581 25.670 1.828 55 HD21 LEU 7 3HD2 LEU 7 -0.038 22.761 2.476 56 HD22 LEU 7 1HD2 LEU 7 -0.394 23.975 1.248 57 HD23 LEU 7 2HD2 LEU 7 -1.710 23.187 2.117 58 H ILE 8 H ILE 8 1.729 22.313 6.271 59 HA ILE 8 HA ILE 8 2.792 20.458 4.404 60 HB ILE 8 HB ILE 8 3.398 20.955 7.324 61 HG12 ILE 8 2HG1 ILE 8 5.115 21.565 4.919 62 HG13 ILE 8 1HG1 ILE 8 3.861 22.689 5.443 63 HG21 ILE 8 1HG2 ILE 8 4.274 18.831 7.135 64 HG22 ILE 8 2HG2 ILE 8 5.610 19.738 6.423 65 HG23 ILE 8 3HG2 ILE 8 4.433 18.939 5.382 66 HD11 ILE 8 3HD1 ILE 8 5.783 21.620 7.479 67 HD12 ILE 8 1HD1 ILE 8 4.930 23.163 7.452 68 HD13 ILE 8 2HD1 ILE 8 6.319 22.903 6.395 69 H THR 9 H THR 9 0.871 20.090 7.350 70 HA THR 9 HA THR 9 1.019 17.278 7.552 71 HB THR 9 HB THR 9 -1.158 19.189 8.429 72 HG1 THR 9 1HG THR 9 0.148 18.248 10.446 73 HG21 THR 9 3HG2 THR 9 -0.775 16.240 8.736 74 HG22 THR 9 1HG2 THR 9 -2.265 17.162 8.544 75 HG23 THR 9 2HG2 THR 9 -1.436 17.141 10.099 76 H LEU 10 H LEU 10 -1.399 19.385 6.000 77 HA LEU 10 HA LEU 10 -3.148 17.417 5.088 78 HB2 LEU 10 2HB LEU 10 -3.498 19.911 4.982 79 HB3 LEU 10 1HB LEU 10 -2.420 19.936 3.584 80 HG LEU 10 HG LEU 10 -4.205 17.878 3.002 81 HD11 LEU 10 1HD1 LEU 10 -6.426 18.834 3.351 82 HD12 LEU 10 2HD1 LEU 10 -5.722 20.237 4.152 83 HD13 LEU 10 3HD1 LEU 10 -5.612 18.646 4.904 84 HD21 LEU 10 3HD2 LEU 10 -4.076 20.792 2.192 85 HD22 LEU 10 1HD2 LEU 10 -5.186 19.653 1.433 86 HD23 LEU 10 2HD2 LEU 10 -3.446 19.393 1.321 87 H THR 11 H THR 11 -0.253 18.764 3.517 88 HA THR 11 HA THR 11 -0.470 17.247 1.137 89 HB THR 11 HB THR 11 2.018 18.382 2.441 90 HG1 THR 11 1HG THR 11 0.767 19.621 0.311 91 HG21 THR 11 3HG2 THR 11 1.510 16.912 -0.036 92 HG22 THR 11 1HG2 THR 11 3.044 17.310 0.740 93 HG23 THR 11 2HG2 THR 11 2.262 18.480 -0.324 94 H VAL 12 H VAL 12 1.369 16.716 4.136 95 HA VAL 12 HA VAL 12 2.626 14.320 3.353 96 HB VAL 12 HB VAL 12 1.841 15.352 6.087 97 HG11 VAL 12 1HG1 VAL 12 3.660 13.685 6.808 98 HG12 VAL 12 2HG1 VAL 12 3.438 12.935 5.227 99 HG13 VAL 12 3HG1 VAL 12 2.094 13.005 6.368 100 HG21 VAL 12 3HG2 VAL 12 3.752 16.556 5.985 101 HG22 VAL 12 1HG2 VAL 12 3.775 16.197 4.257 102 HG23 VAL 12 2HG2 VAL 12 4.667 15.173 5.382 103 H GLY 13 H GLY 13 -0.575 14.986 4.566 104 HA2 GLY 13 2HA GLY 13 -1.253 12.289 5.241 105 HA3 GLY 13 1HA GLY 13 -2.381 13.630 5.059 106 H PHE 14 H PHE 14 -1.918 14.390 2.464 107 HA PHE 14 HA PHE 14 -3.406 12.458 0.997 108 HB2 PHE 14 2HB PHE 14 -3.661 14.830 0.514 109 HB3 PHE 14 1HB PHE 14 -1.957 14.950 0.075 110 HD1 PHE 14 2HD PHE 14 -4.934 12.807 -0.751 111 HD2 PHE 14 1HD PHE 14 -1.447 14.859 -2.198 112 HE1 PHE 14 2HE PHE 14 -5.483 12.109 -3.067 113 HE2 PHE 14 1HE PHE 14 -1.997 14.162 -4.511 114 HZ PHE 14 HZ PHE 14 -4.015 12.788 -4.946 115 H GLY 15 H GLY 15 -0.017 13.272 1.287 116 HA2 GLY 15 2HA GLY 15 0.870 11.800 -1.020 117 HA3 GLY 15 1HA GLY 15 1.888 12.378 0.296 118 H ILE 16 H ILE 16 0.404 11.068 2.401 119 HA ILE 16 HA ILE 16 1.695 8.517 2.326 120 HB ILE 16 HB ILE 16 -0.280 9.774 4.228 121 HG12 ILE 16 2HG1 ILE 16 2.278 10.398 3.945 122 HG13 ILE 16 1HG1 ILE 16 1.574 10.243 5.557 123 HG21 ILE 16 1HG2 ILE 16 -0.762 7.486 4.498 124 HG22 ILE 16 2HG2 ILE 16 0.474 7.779 5.718 125 HG23 ILE 16 3HG2 ILE 16 0.904 7.004 4.191 126 HD11 ILE 16 3HD1 ILE 16 2.520 8.113 5.894 127 HD12 ILE 16 1HD1 ILE 16 3.802 9.006 5.088 128 HD13 ILE 16 2HD1 ILE 16 2.816 7.869 4.177 129 H LEU 17 H LEU 17 -1.577 9.623 1.835 130 HA LEU 17 HA LEU 17 -2.844 7.080 1.772 131 HB2 LEU 17 2HB LEU 17 -3.633 9.773 1.412 132 HB3 LEU 17 1HB LEU 17 -4.119 8.909 -0.047 133 HG LEU 17 HG LEU 17 -4.750 8.043 2.789 134 HD11 LEU 17 1HD1 LEU 17 -7.017 8.724 2.318 135 HD12 LEU 17 2HD1 LEU 17 -6.611 9.091 0.641 136 HD13 LEU 17 3HD1 LEU 17 -5.966 10.089 1.943 137 HD21 LEU 17 3HD2 LEU 17 -6.409 6.770 0.902 138 HD22 LEU 17 1HD2 LEU 17 -5.112 6.029 1.838 139 HD23 LEU 17 2HD2 LEU 17 -4.779 6.675 0.233 140 H ILE 18 H ILE 18 -1.434 9.094 -0.788 141 HA ILE 18 HA ILE 18 -2.109 7.462 -2.975 142 HB ILE 18 HB ILE 18 0.219 9.340 -2.524 143 HG12 ILE 18 2HG1 ILE 18 -2.239 9.647 -4.266 144 HG13 ILE 18 1HG1 ILE 18 -2.185 10.199 -2.591 145 HG21 ILE 18 1HG2 ILE 18 0.991 7.898 -4.234 146 HG22 ILE 18 2HG2 ILE 18 0.267 9.248 -5.108 147 HG23 ILE 18 3HG2 ILE 18 -0.618 7.730 -4.937 148 HD11 ILE 18 3HD1 ILE 18 -1.483 11.773 -4.661 149 HD12 ILE 18 1HD1 ILE 18 0.078 11.026 -4.333 150 HD13 ILE 18 2HD1 ILE 18 -0.751 11.926 -3.063 151 H PHE 19 H PHE 19 0.714 7.445 -0.823 152 HA PHE 19 HA PHE 19 2.187 5.444 -2.166 153 HB2 PHE 19 2HB PHE 19 2.540 7.007 0.104 154 HB3 PHE 19 1HB PHE 19 2.482 5.359 0.731 155 HD1 PHE 19 1HD PHE 19 4.260 7.679 -1.523 156 HD2 PHE 19 2HD PHE 19 4.162 3.712 0.121 157 HE1 PHE 19 1HE PHE 19 6.566 7.281 -2.343 158 HE2 PHE 19 2HE PHE 19 6.468 3.315 -0.699 159 HZ PHE 19 HZ PHE 19 7.670 5.099 -1.933 160 H SER 20 H SER 20 -0.176 5.235 0.482 161 HA SER 20 HA SER 20 -0.003 2.432 0.829 162 HB2 SER 20 2HB SER 20 -2.039 4.515 1.545 163 HB3 SER 20 1HB SER 20 -2.410 2.809 1.771 164 HG SER 20 HG SER 20 -0.050 4.054 2.734 165 H LEU 21 H LEU 21 -2.145 4.455 -1.172 166 HA LEU 21 HA LEU 21 -3.849 2.475 -2.100 167 HB2 LEU 21 2HB LEU 21 -4.181 4.894 -2.485 168 HB3 LEU 21 1HB LEU 21 -2.811 4.905 -3.591 169 HG LEU 21 HG LEU 21 -4.769 2.816 -4.195 170 HD11 LEU 21 1HD1 LEU 21 -5.563 5.731 -4.421 171 HD12 LEU 21 2HD1 LEU 21 -6.332 4.530 -3.386 172 HD13 LEU 21 3HD1 LEU 21 -6.442 4.384 -5.142 173 HD21 LEU 21 3HD2 LEU 21 -2.876 3.502 -5.654 174 HD22 LEU 21 1HD2 LEU 21 -3.606 5.099 -5.816 175 HD23 LEU 21 2HD2 LEU 21 -4.431 3.683 -6.467 176 H ILE 22 H ILE 22 -0.670 3.506 -3.270 177 HA ILE 22 HA ILE 22 -0.621 1.900 -5.607 178 HB ILE 22 HB ILE 22 1.593 3.037 -3.893 179 HG12 ILE 22 2HG1 ILE 22 0.693 3.804 -6.681 180 HG13 ILE 22 1HG1 ILE 22 0.009 4.541 -5.232 181 HG21 ILE 22 1HG2 ILE 22 1.660 1.349 -6.384 182 HG22 ILE 22 2HG2 ILE 22 2.686 1.254 -4.953 183 HG23 ILE 22 3HG2 ILE 22 2.907 2.566 -6.111 184 HD11 ILE 22 3HD1 ILE 22 1.844 5.817 -4.891 185 HD12 ILE 22 1HD1 ILE 22 2.301 5.393 -6.541 186 HD13 ILE 22 2HD1 ILE 22 2.936 4.463 -5.183 187 H VAL 23 H VAL 23 0.360 1.294 -2.270 188 HA VAL 23 HA VAL 23 1.609 -1.207 -2.708 189 HB VAL 23 HB VAL 23 0.289 -0.012 -0.265 190 HG11 VAL 23 1HG1 VAL 23 1.707 -1.844 0.891 191 HG12 VAL 23 2HG1 VAL 23 1.719 -2.636 -0.684 192 HG13 VAL 23 3HG1 VAL 23 0.189 -2.339 0.142 193 HG21 VAL 23 3HG2 VAL 23 2.318 0.921 0.152 194 HG22 VAL 23 1HG2 VAL 23 2.662 0.601 -1.549 195 HG23 VAL 23 2HG2 VAL 23 3.179 -0.547 -0.314 196 H THR 24 H THR 24 -1.689 -0.389 -1.622 197 HA THR 24 HA THR 24 -2.625 -3.059 -1.513 198 HB THR 24 HB THR 24 -4.149 -0.474 -1.923 199 HG1 THR 24 1HG THR 24 -2.926 -1.649 0.183 200 HG21 THR 24 3HG2 THR 24 -5.916 -1.823 -2.297 201 HG22 THR 24 1HG2 THR 24 -5.757 -2.345 -0.620 202 HG23 THR 24 2HG2 THR 24 -4.984 -3.268 -1.905 203 H TYR 25 H TYR 25 -2.389 -0.712 -4.109 204 HA TYR 25 HA TYR 25 -4.085 -2.053 -5.958 205 HB2 TYR 25 2HB TYR 25 -3.475 0.303 -6.238 206 HB3 TYR 25 1HB TYR 25 -1.783 -0.149 -6.453 207 HD1 TYR 25 1HD TYR 25 -5.188 -0.453 -7.913 208 HD2 TYR 25 2HD TYR 25 -0.973 -0.995 -8.538 209 HE1 TYR 25 1HE TYR 25 -5.595 -0.837 -10.329 210 HE2 TYR 25 2HE TYR 25 -1.379 -1.379 -10.954 211 HH TYR 25 HH TYR 25 -3.746 -2.295 -12.294 212 H CYS 26 H CYS 26 -0.573 -2.095 -5.414 213 HA CYS 26 HA CYS 26 0.077 -3.833 -7.544 214 HB2 CYS 26 2HB CYS 26 1.489 -3.400 -4.902 215 HB3 CYS 26 1HB CYS 26 2.181 -4.216 -6.304 216 HG CYS 26 HG CYS 26 2.193 -1.988 -7.597 217 H ILE 27 H ILE 27 -1.091 -4.394 -4.290 218 HA ILE 27 HA ILE 27 -0.510 -7.198 -4.225 219 HB ILE 27 HB ILE 27 -2.343 -5.421 -2.620 220 HG12 ILE 27 2HG1 ILE 27 0.096 -7.015 -1.793 221 HG13 ILE 27 1HG1 ILE 27 0.194 -5.348 -2.367 222 HG21 ILE 27 1HG2 ILE 27 -1.960 -8.414 -2.532 223 HG22 ILE 27 2HG2 ILE 27 -3.472 -7.504 -2.547 224 HG23 ILE 27 3HG2 ILE 27 -2.459 -7.506 -1.105 225 HD11 ILE 27 3HD1 ILE 27 -0.184 -6.054 0.252 226 HD12 ILE 27 1HD1 ILE 27 -1.846 -5.808 -0.284 227 HD13 ILE 27 2HD1 ILE 27 -0.666 -4.505 -0.438 228 H ASN 28 H ASN 28 -3.415 -5.289 -4.970 229 HA ASN 28 HA ASN 28 -5.147 -7.476 -5.403 230 HB2 ASN 28 2HB ASN 28 -5.144 -4.601 -6.272 231 HB3 ASN 28 1HB ASN 28 -6.364 -5.717 -6.884 232 HD21 ASN 28 1HD2 ASN 28 -5.048 -6.184 -3.650 233 HD22 ASN 28 2HD2 ASN 28 -6.442 -5.695 -2.815 234 H ALA 29 H ALA 29 -2.728 -5.951 -7.399 235 HA ALA 29 HA ALA 29 -3.630 -7.134 -9.864 236 HB1 ALA 29 1HB ALA 29 -2.053 -5.012 -9.330 237 HB2 ALA 29 2HB ALA 29 -2.009 -5.882 -10.863 238 HB3 ALA 29 3HB ALA 29 -0.819 -6.240 -9.613 239 H LYS 30 H LYS 30 -0.894 -7.697 -7.667 240 HA LYS 30 HA LYS 30 0.151 -9.931 -9.033 241 HB2 LYS 30 2HB LYS 30 0.350 -9.021 -6.163 242 HB3 LYS 30 1HB LYS 30 1.183 -10.458 -6.753 243 HG2 LYS 30 2HG LYS 30 1.463 -7.886 -8.274 244 HG3 LYS 30 1HG LYS 30 2.399 -8.112 -6.796 245 HD2 LYS 30 2HD LYS 30 2.404 -10.375 -8.736 246 HD3 LYS 30 1HD LYS 30 3.294 -8.927 -9.201 247 HE2 LYS 30 2HE LYS 30 4.554 -10.741 -7.847 248 HE3 LYS 30 1HE LYS 30 4.727 -9.062 -7.336 249 HZ1 LYS 30 3HZ LYS 30 3.238 -11.248 -6.076 250 HZ2 LYS 30 1HZ LYS 30 2.635 -9.670 -5.911 251 HZ3 LYS 30 2HZ LYS 30 4.200 -10.041 -5.365 252 H ALA 31 H ALA 31 -2.594 -9.570 -6.990 253 HA ALA 31 HA ALA 31 -2.837 -12.194 -5.991 254 HB1 ALA 31 1HB ALA 31 -4.935 -10.117 -6.644 255 HB2 ALA 31 2HB ALA 31 -4.196 -10.424 -5.071 256 HB3 ALA 31 3HB ALA 31 -5.272 -11.622 -5.790 257 H ASP 32 H ASP 32 -2.968 -11.060 -9.152 258 HA ASP 32 HA ASP 32 -4.846 -13.060 -10.122 259 HB2 ASP 32 2HB ASP 32 -3.131 -11.025 -11.562 260 HB3 ASP 32 1HB ASP 32 -4.267 -12.113 -12.357 261 H VAL 33 H VAL 33 -1.751 -13.181 -9.088 262 HA VAL 33 HA VAL 33 -0.821 -15.026 -11.177 263 HB VAL 33 HB VAL 33 0.675 -13.876 -8.809 264 HG11 VAL 33 1HG1 VAL 33 2.660 -14.657 -10.138 265 HG12 VAL 33 2HG1 VAL 33 1.546 -15.469 -11.240 266 HG13 VAL 33 3HG1 VAL 33 1.646 -15.976 -9.553 267 HG21 VAL 33 3HG2 VAL 33 0.010 -12.833 -11.468 268 HG22 VAL 33 1HG2 VAL 33 1.746 -12.862 -11.160 269 HG23 VAL 33 2HG2 VAL 33 0.671 -11.990 -10.067 270 H LEU 34 H LEU 34 -2.083 -14.938 -7.983 271 HA LEU 34 HA LEU 34 -1.267 -17.698 -7.480 272 HB2 LEU 34 2HB LEU 34 -2.274 -15.503 -5.697 273 HB3 LEU 34 1HB LEU 34 -2.282 -17.176 -5.152 274 HG LEU 34 HG LEU 34 -0.219 -15.931 -4.463 275 HD11 LEU 34 1HD1 LEU 34 0.860 -17.849 -6.426 276 HD12 LEU 34 2HD1 LEU 34 -0.439 -18.489 -5.428 277 HD13 LEU 34 3HD1 LEU 34 1.015 -17.836 -4.671 278 HD21 LEU 34 3HD2 LEU 34 1.266 -15.007 -6.009 279 HD22 LEU 34 1HD2 LEU 34 -0.284 -14.633 -6.755 280 HD23 LEU 34 2HD2 LEU 34 0.672 -16.003 -7.326 281 H PHE 35 H PHE 35 -4.084 -15.666 -7.549 282 HA PHE 35 HA PHE 35 -5.898 -17.890 -7.188 283 HB2 PHE 35 2HB PHE 35 -6.293 -14.966 -7.777 284 HB3 PHE 35 1HB PHE 35 -7.626 -16.109 -7.794 285 HD1 PHE 35 2HD PHE 35 -4.889 -14.744 -5.681 286 HD2 PHE 35 1HD PHE 35 -8.594 -16.917 -5.760 287 HE1 PHE 35 2HE PHE 35 -5.009 -14.630 -3.206 288 HE2 PHE 35 1HE PHE 35 -8.714 -16.802 -3.285 289 HZ PHE 35 HZ PHE 35 -6.921 -15.659 -2.009 290 H ILE 36 H ILE 36 -4.011 -17.370 -9.630 291 HA ILE 36 HA ILE 36 -5.233 -17.000 -12.003 292 HB ILE 36 HB ILE 36 -3.358 -19.255 -11.299 293 HG12 ILE 36 2HG1 ILE 36 -2.741 -16.701 -12.786 294 HG13 ILE 36 1HG1 ILE 36 -2.704 -16.762 -11.025 295 HG21 ILE 36 1HG2 ILE 36 -4.740 -18.545 -13.803 296 HG22 ILE 36 2HG2 ILE 36 -3.915 -20.038 -13.357 297 HG23 ILE 36 3HG2 ILE 36 -2.989 -18.667 -13.964 298 HD11 ILE 36 3HD1 ILE 36 -0.460 -17.207 -11.918 299 HD12 ILE 36 1HD1 ILE 36 -1.099 -18.518 -12.906 300 HD13 ILE 36 2HD1 ILE 36 -1.096 -18.661 -11.150 301 H ALA 37 H ALA 37 -4.781 -20.381 -11.487 302 HA ALA 37 HA ALA 37 -7.538 -20.849 -12.353 303 HB1 ALA 37 1HB ALA 37 -6.136 -23.304 -12.074 304 HB2 ALA 37 2HB ALA 37 -5.037 -22.153 -12.836 305 HB3 ALA 37 3HB ALA 37 -6.608 -22.486 -13.564 306 HA PRO 38 HA PRO 38 -8.926 -22.316 -8.440 307 HB2 PRO 38 2HB PRO 38 -10.505 -24.445 -9.121 308 HB3 PRO 38 1HB PRO 38 -10.969 -22.757 -9.412 309 HG2 PRO 38 2HG PRO 38 -9.854 -24.765 -11.305 310 HG3 PRO 38 1HG PRO 38 -11.111 -23.543 -11.563 311 HD2 PRO 38 2HD PRO 38 -8.533 -23.225 -12.413 312 HD3 PRO 38 1HD PRO 38 -9.592 -21.865 -11.975 313 H ARG 39 H ARG 39 -8.377 -23.731 -6.802 314 HA ARG 39 HA ARG 39 -6.144 -25.422 -7.143 315 HB2 ARG 39 2HB ARG 39 -7.735 -24.455 -4.982 316 HB3 ARG 39 1HB ARG 39 -7.579 -26.204 -4.811 317 HG2 ARG 39 2HG ARG 39 -5.143 -26.036 -5.011 318 HG3 ARG 39 1HG ARG 39 -5.266 -24.293 -5.257 319 HD2 ARG 39 2HD ARG 39 -6.717 -24.781 -2.910 320 HD3 ARG 39 1HD ARG 39 -5.291 -25.803 -2.773 321 HE ARG 39 HE ARG 39 -5.306 -23.038 -2.395 322 HH11 ARG 39 1HH2 ARG 39 -3.624 -25.428 -4.247 323 HH12 ARG 39 2HH2 ARG 39 -2.136 -24.543 -4.297 324 HH21 ARG 39 1HH1 ARG 39 -3.359 -21.870 -2.456 325 HH22 ARG 39 2HH1 ARG 39 -1.987 -22.528 -3.283 326 H GLU 40 H GLU 40 -6.264 -27.156 -8.449 327 HA GLU 40 HA GLU 40 -8.632 -28.847 -8.340 328 HB2 GLU 40 2HB GLU 40 -6.373 -28.507 -10.266 329 HB3 GLU 40 1HB GLU 40 -7.221 -30.050 -10.239 330 HG2 GLU 40 2HG GLU 40 -8.900 -27.584 -10.245 331 HG3 GLU 40 1HG GLU 40 -8.057 -27.985 -11.738 332 HA PRO 41 HA PRO 41 -7.173 -32.129 -5.791 333 HB2 PRO 41 2HB PRO 41 -7.280 -33.871 -8.213 334 HB3 PRO 41 1HB PRO 41 -7.995 -34.118 -6.611 335 HG2 PRO 41 2HG PRO 41 -9.394 -33.298 -8.805 336 HG3 PRO 41 1HG PRO 41 -9.873 -32.982 -7.133 337 HD2 PRO 41 2HD PRO 41 -8.969 -31.092 -9.134 338 HD3 PRO 41 1HD PRO 41 -9.625 -30.773 -7.518 339 H GLY 42 H GLY 42 -5.091 -32.212 -5.172 340 HA2 GLY 42 2HA GLY 42 -2.851 -32.833 -5.234 341 HA3 GLY 42 1HA GLY 42 -3.063 -33.323 -6.913 342 H ALA 43 H ALA 43 -4.229 -30.756 -7.711 343 HA ALA 43 HA ALA 43 -3.379 -28.910 -8.819 344 HB1 ALA 43 1HB ALA 43 -2.397 -27.241 -7.227 345 HB2 ALA 43 2HB ALA 43 -2.423 -28.487 -5.980 346 HB3 ALA 43 3HB ALA 43 -3.934 -27.919 -6.690 347 H VAL 44 H VAL 44 -1.882 -30.575 -9.900 348 HA VAL 44 HA VAL 44 0.938 -29.894 -9.305 349 HB VAL 44 HB VAL 44 -0.267 -32.406 -10.472 350 HG11 VAL 44 1HG1 VAL 44 2.573 -31.386 -10.402 351 HG12 VAL 44 2HG1 VAL 44 1.685 -32.063 -11.767 352 HG13 VAL 44 3HG1 VAL 44 2.220 -33.112 -10.454 353 HG21 VAL 44 3HG2 VAL 44 0.111 -33.323 -8.429 354 HG22 VAL 44 1HG2 VAL 44 0.229 -31.659 -7.852 355 HG23 VAL 44 2HG2 VAL 44 1.690 -32.548 -8.285 356 H SER 45 H SER 45 1.590 -28.373 -10.687 357 HA SER 45 HA SER 45 0.500 -27.549 -13.047 358 HB2 SER 45 2HB SER 45 3.453 -27.721 -12.408 359 HB3 SER 45 1HB SER 45 2.742 -26.726 -13.676 360 HG SER 45 HG SER 45 3.103 -25.622 -11.653 361 H TYR 46 H TYR 46 -0.112 -28.737 -14.737 362 HA TYR 46 HA TYR 46 0.947 -31.263 -15.420 363 HB2 TYR 46 2HB TYR 46 -0.341 -29.604 -17.533 364 HB3 TYR 46 1HB TYR 46 -0.625 -31.286 -17.091 365 HD1 TYR 46 1HD TYR 46 -1.298 -31.375 -14.361 366 HD2 TYR 46 2HD TYR 46 -2.223 -28.275 -17.189 367 HE1 TYR 46 1HE TYR 46 -3.236 -30.687 -12.974 368 HE2 TYR 46 2HE TYR 46 -4.159 -27.589 -15.802 369 HH TYR 46 HH TYR 46 -4.803 -29.112 -12.661 Start of MODEL 7 1 H ALA 1 1HT ALA 1 0.058 32.557 13.329 2 HA ALA 1 HA ALA 1 -2.068 31.824 12.020 3 HB1 ALA 1 2HB ALA 1 -0.392 31.050 10.171 4 HB2 ALA 1 3HB ALA 1 0.845 31.469 11.355 5 HB3 ALA 1 1HB ALA 1 -0.279 32.700 10.782 6 H SER 2 H SER 2 0.577 29.431 12.162 7 HA SER 2 HA SER 2 0.534 27.138 12.412 8 HB2 SER 2 2HB SER 2 -1.473 27.905 14.045 9 HB3 SER 2 1HB SER 2 -2.396 26.996 12.852 10 HG SER 2 HG SER 2 -0.011 25.882 13.763 11 H LYS 3 H LYS 3 -1.066 28.924 10.149 12 HA LYS 3 HA LYS 3 -2.543 27.007 8.691 13 HB2 LYS 3 2HB LYS 3 -2.785 29.391 8.259 14 HB3 LYS 3 1HB LYS 3 -1.101 29.495 7.742 15 HG2 LYS 3 2HG LYS 3 -1.510 28.113 5.825 16 HG3 LYS 3 1HG LYS 3 -3.115 27.669 6.412 17 HD2 LYS 3 2HD LYS 3 -3.984 29.841 6.009 18 HD3 LYS 3 1HD LYS 3 -2.374 30.541 5.841 19 HE2 LYS 3 2HE LYS 3 -3.263 28.365 3.966 20 HE3 LYS 3 1HE LYS 3 -3.768 30.031 3.683 21 HZ1 LYS 3 3HZ LYS 3 -0.938 29.321 4.163 22 HZ2 LYS 3 1HZ LYS 3 -1.567 30.733 3.465 23 HZ3 LYS 3 2HZ LYS 3 -1.617 29.268 2.608 24 H GLU 4 H GLU 4 0.866 27.953 8.606 25 HA GLU 4 HA GLU 4 1.635 26.490 6.330 26 HB2 GLU 4 2HB GLU 4 3.254 27.138 8.805 27 HB3 GLU 4 1HB GLU 4 3.913 26.626 7.251 28 HG2 GLU 4 2HG GLU 4 2.183 29.085 7.618 29 HG3 GLU 4 1HG GLU 4 3.945 29.120 7.604 30 H LEU 5 H LEU 5 1.824 25.590 9.779 31 HA LEU 5 HA LEU 5 2.777 22.981 9.413 32 HB2 LEU 5 2HB LEU 5 1.139 24.270 11.589 33 HB3 LEU 5 1HB LEU 5 1.613 22.573 11.670 34 HG LEU 5 HG LEU 5 3.808 24.401 10.950 35 HD11 LEU 5 1HD1 LEU 5 2.610 25.844 12.541 36 HD12 LEU 5 2HD1 LEU 5 4.092 25.228 13.271 37 HD13 LEU 5 3HD1 LEU 5 2.536 24.518 13.703 38 HD21 LEU 5 3HD2 LEU 5 3.463 22.285 13.101 39 HD22 LEU 5 1HD2 LEU 5 4.993 22.996 12.585 40 HD23 LEU 5 2HD2 LEU 5 4.070 21.986 11.471 41 H GLU 6 H GLU 6 -0.541 24.228 9.539 42 HA GLU 6 HA GLU 6 -1.887 21.762 9.449 43 HB2 GLU 6 2HB GLU 6 -2.563 24.590 8.873 44 HB3 GLU 6 1HB GLU 6 -3.605 23.375 8.133 45 HG2 GLU 6 2HG GLU 6 -4.105 22.387 10.267 46 HG3 GLU 6 1HG GLU 6 -2.873 23.358 11.070 47 H LEU 7 H LEU 7 -0.905 23.947 6.811 48 HA LEU 7 HA LEU 7 -1.920 22.405 4.689 49 HB2 LEU 7 2HB LEU 7 -0.204 24.717 5.014 50 HB3 LEU 7 1HB LEU 7 0.384 23.669 3.723 51 HG LEU 7 HG LEU 7 -2.509 24.529 3.959 52 HD11 LEU 7 1HD1 LEU 7 -0.832 26.435 3.625 53 HD12 LEU 7 2HD1 LEU 7 -2.076 26.270 2.386 54 HD13 LEU 7 3HD1 LEU 7 -0.441 25.683 2.078 55 HD21 LEU 7 3HD2 LEU 7 -1.425 23.886 1.328 56 HD22 LEU 7 1HD2 LEU 7 -2.837 23.218 2.148 57 HD23 LEU 7 2HD2 LEU 7 -1.236 22.544 2.456 58 H ILE 8 H ILE 8 1.227 22.366 6.315 59 HA ILE 8 HA ILE 8 2.521 20.534 4.616 60 HB ILE 8 HB ILE 8 2.879 21.185 7.543 61 HG12 ILE 8 2HG1 ILE 8 4.725 21.722 5.209 62 HG13 ILE 8 1HG1 ILE 8 3.423 22.835 5.632 63 HG21 ILE 8 1HG2 ILE 8 5.176 20.008 7.032 64 HG22 ILE 8 2HG2 ILE 8 4.250 19.165 5.790 65 HG23 ILE 8 3HG2 ILE 8 3.780 19.030 7.484 66 HD11 ILE 8 3HD1 ILE 8 5.353 21.889 7.740 67 HD12 ILE 8 1HD1 ILE 8 4.369 23.352 7.717 68 HD13 ILE 8 2HD1 ILE 8 5.783 23.226 6.672 69 H THR 9 H THR 9 0.633 20.011 7.587 70 HA THR 9 HA THR 9 0.929 17.214 7.704 71 HB THR 9 HB THR 9 -1.421 18.876 8.642 72 HG1 THR 9 1HG THR 9 -0.191 18.733 10.642 73 HG21 THR 9 3HG2 THR 9 -1.393 16.943 10.388 74 HG22 THR 9 1HG2 THR 9 -0.464 16.074 9.166 75 HG23 THR 9 2HG2 THR 9 -2.096 16.636 8.800 76 H LEU 10 H LEU 10 -1.455 19.261 6.070 77 HA LEU 10 HA LEU 10 -3.199 17.228 5.212 78 HB2 LEU 10 2HB LEU 10 -3.171 19.944 5.007 79 HB3 LEU 10 1HB LEU 10 -2.798 19.478 3.347 80 HG LEU 10 HG LEU 10 -4.769 17.816 3.583 81 HD11 LEU 10 1HD1 LEU 10 -5.996 19.691 5.505 82 HD12 LEU 10 2HD1 LEU 10 -4.731 18.671 6.187 83 HD13 LEU 10 3HD1 LEU 10 -6.130 17.935 5.404 84 HD21 LEU 10 3HD2 LEU 10 -4.743 20.730 3.123 85 HD22 LEU 10 1HD2 LEU 10 -6.337 20.071 3.485 86 HD23 LEU 10 2HD2 LEU 10 -5.410 19.441 2.123 87 H THR 11 H THR 11 -0.321 18.634 3.681 88 HA THR 11 HA THR 11 -0.495 17.148 1.271 89 HB THR 11 HB THR 11 1.811 18.514 2.664 90 HG1 THR 11 1HG THR 11 0.090 19.077 0.501 91 HG21 THR 11 3HG2 THR 11 1.726 16.808 0.210 92 HG22 THR 11 1HG2 THR 11 3.009 16.984 1.408 93 HG23 THR 11 2HG2 THR 11 2.752 18.242 0.199 94 H VAL 12 H VAL 12 1.113 16.552 4.366 95 HA VAL 12 HA VAL 12 2.524 14.224 3.597 96 HB VAL 12 HB VAL 12 1.495 15.136 6.291 97 HG11 VAL 12 1HG1 VAL 12 2.857 12.658 5.414 98 HG12 VAL 12 2HG1 VAL 12 1.889 12.961 6.857 99 HG13 VAL 12 3HG1 VAL 12 3.580 13.459 6.810 100 HG21 VAL 12 3HG2 VAL 12 4.352 15.094 5.955 101 HG22 VAL 12 1HG2 VAL 12 3.306 16.477 6.277 102 HG23 VAL 12 2HG2 VAL 12 3.631 15.985 4.615 103 H GLY 13 H GLY 13 -0.775 14.778 4.657 104 HA2 GLY 13 2HA GLY 13 -1.428 12.038 5.143 105 HA3 GLY 13 1HA GLY 13 -2.575 13.358 4.923 106 H PHE 14 H PHE 14 -1.894 14.231 2.380 107 HA PHE 14 HA PHE 14 -3.233 12.310 0.750 108 HB2 PHE 14 2HB PHE 14 -3.425 14.742 0.376 109 HB3 PHE 14 1HB PHE 14 -1.718 14.803 -0.063 110 HD1 PHE 14 1HD PHE 14 -4.784 12.805 -0.919 111 HD2 PHE 14 2HD PHE 14 -1.199 14.704 -2.327 112 HE1 PHE 14 1HE PHE 14 -5.357 12.161 -3.245 113 HE2 PHE 14 2HE PHE 14 -1.772 14.061 -4.653 114 HZ PHE 14 HZ PHE 14 -3.851 12.790 -5.112 115 H GLY 15 H GLY 15 0.126 13.189 1.266 116 HA2 GLY 15 2HA GLY 15 1.180 11.782 -0.988 117 HA3 GLY 15 1HA GLY 15 2.096 12.348 0.405 118 H ILE 16 H ILE 16 0.606 10.961 2.404 119 HA ILE 16 HA ILE 16 1.900 8.422 2.324 120 HB ILE 16 HB ILE 16 -0.156 9.636 4.171 121 HG12 ILE 16 2HG1 ILE 16 2.685 8.787 4.749 122 HG13 ILE 16 1HG1 ILE 16 2.318 10.377 4.077 123 HG21 ILE 16 1HG2 ILE 16 0.908 6.848 3.990 124 HG22 ILE 16 2HG2 ILE 16 -0.674 7.411 4.527 125 HG23 ILE 16 3HG2 ILE 16 0.721 7.556 5.596 126 HD11 ILE 16 3HD1 ILE 16 0.823 10.844 5.981 127 HD12 ILE 16 1HD1 ILE 16 2.450 10.464 6.543 128 HD13 ILE 16 2HD1 ILE 16 1.176 9.251 6.653 129 H LEU 17 H LEU 17 -1.388 9.530 1.698 130 HA LEU 17 HA LEU 17 -2.601 6.970 1.529 131 HB2 LEU 17 2HB LEU 17 -3.816 9.163 1.753 132 HB3 LEU 17 1HB LEU 17 -3.436 9.478 0.058 133 HG LEU 17 HG LEU 17 -4.466 6.857 0.125 134 HD11 LEU 17 1HD1 LEU 17 -5.383 7.267 2.349 135 HD12 LEU 17 2HD1 LEU 17 -6.699 7.255 1.175 136 HD13 LEU 17 3HD1 LEU 17 -6.092 8.788 1.806 137 HD21 LEU 17 3HD2 LEU 17 -5.651 9.532 -0.675 138 HD22 LEU 17 1HD2 LEU 17 -6.397 7.983 -1.068 139 HD23 LEU 17 2HD2 LEU 17 -4.807 8.384 -1.715 140 H ILE 18 H ILE 18 -1.025 9.060 -0.852 141 HA ILE 18 HA ILE 18 -1.644 7.519 -3.143 142 HB ILE 18 HB ILE 18 0.635 9.416 -2.547 143 HG12 ILE 18 2HG1 ILE 18 -1.739 9.778 -4.387 144 HG13 ILE 18 1HG1 ILE 18 -1.816 10.199 -2.675 145 HG21 ILE 18 1HG2 ILE 18 0.026 7.711 -4.919 146 HG22 ILE 18 2HG2 ILE 18 1.582 8.282 -4.315 147 HG23 ILE 18 3HG2 ILE 18 0.537 9.371 -5.229 148 HD11 ILE 18 3HD1 ILE 18 -0.973 11.913 -4.626 149 HD12 ILE 18 1HD1 ILE 18 0.563 11.222 -4.101 150 HD13 ILE 18 2HD1 ILE 18 -0.485 12.030 -2.935 151 H PHE 19 H PHE 19 1.094 7.451 -0.891 152 HA PHE 19 HA PHE 19 2.643 5.533 -2.265 153 HB2 PHE 19 2HB PHE 19 2.683 6.862 0.307 154 HB3 PHE 19 1HB PHE 19 3.117 5.161 0.474 155 HD1 PHE 19 1HD PHE 19 4.947 4.203 -0.988 156 HD2 PHE 19 2HD PHE 19 4.167 8.417 -0.713 157 HE1 PHE 19 1HE PHE 19 7.190 4.678 -1.932 158 HE2 PHE 19 2HE PHE 19 6.411 8.894 -1.657 159 HZ PHE 19 HZ PHE 19 7.922 7.024 -2.267 160 H SER 20 H SER 20 0.202 5.192 0.299 161 HA SER 20 HA SER 20 0.406 2.381 0.558 162 HB2 SER 20 2HB SER 20 -0.728 3.317 2.338 163 HB3 SER 20 1HB SER 20 -1.608 4.454 1.319 164 HG SER 20 HG SER 20 -2.808 2.584 2.200 165 H LEU 21 H LEU 21 -1.706 4.451 -1.407 166 HA LEU 21 HA LEU 21 -3.364 2.484 -2.488 167 HB2 LEU 21 2HB LEU 21 -3.789 4.870 -2.801 168 HB3 LEU 21 1HB LEU 21 -2.336 5.017 -3.789 169 HG LEU 21 HG LEU 21 -4.099 2.873 -4.707 170 HD11 LEU 21 1HD1 LEU 21 -5.800 4.442 -5.662 171 HD12 LEU 21 2HD1 LEU 21 -5.111 5.732 -4.675 172 HD13 LEU 21 3HD1 LEU 21 -5.871 4.340 -3.903 173 HD21 LEU 21 3HD2 LEU 21 -3.169 5.377 -6.132 174 HD22 LEU 21 1HD2 LEU 21 -3.585 3.820 -6.847 175 HD23 LEU 21 2HD2 LEU 21 -2.118 3.984 -5.881 176 H ILE 22 H ILE 22 -0.149 3.566 -3.493 177 HA ILE 22 HA ILE 22 -0.026 2.044 -5.889 178 HB ILE 22 HB ILE 22 2.103 3.214 -4.095 179 HG12 ILE 22 2HG1 ILE 22 1.334 3.957 -6.924 180 HG13 ILE 22 1HG1 ILE 22 0.515 4.653 -5.524 181 HG21 ILE 22 1HG2 ILE 22 3.346 2.751 -6.478 182 HG22 ILE 22 2HG2 ILE 22 2.306 1.331 -6.369 183 HG23 ILE 22 3HG2 ILE 22 3.465 1.676 -5.085 184 HD11 ILE 22 3HD1 ILE 22 2.402 5.808 -4.819 185 HD12 ILE 22 1HD1 ILE 22 2.633 5.853 -6.568 186 HD13 ILE 22 2HD1 ILE 22 3.511 4.676 -5.591 187 H VAL 23 H VAL 23 0.916 1.382 -2.542 188 HA VAL 23 HA VAL 23 2.160 -1.124 -3.066 189 HB VAL 23 HB VAL 23 0.929 -0.012 -0.535 190 HG11 VAL 23 1HG1 VAL 23 2.801 -1.813 0.264 191 HG12 VAL 23 2HG1 VAL 23 2.213 -2.601 -1.201 192 HG13 VAL 23 3HG1 VAL 23 1.089 -2.203 0.100 193 HG21 VAL 23 3HG2 VAL 23 3.176 0.622 0.039 194 HG22 VAL 23 1HG2 VAL 23 2.895 1.204 -1.602 195 HG23 VAL 23 2HG2 VAL 23 3.841 -0.261 -1.335 196 H THR 24 H THR 24 -1.126 -0.169 -2.160 197 HA THR 24 HA THR 24 -2.134 -2.813 -1.852 198 HB THR 24 HB THR 24 -3.658 -0.297 -2.568 199 HG1 THR 24 1HG THR 24 -2.441 -0.032 -0.683 200 HG21 THR 24 3HG2 THR 24 -4.483 -2.903 -1.259 201 HG22 THR 24 1HG2 THR 24 -4.950 -2.354 -2.868 202 HG23 THR 24 2HG2 THR 24 -5.522 -1.490 -1.441 203 H TYR 25 H TYR 25 -1.697 -0.674 -4.588 204 HA TYR 25 HA TYR 25 -3.402 -2.040 -6.409 205 HB2 TYR 25 2HB TYR 25 -2.689 0.224 -6.883 206 HB3 TYR 25 1HB TYR 25 -0.996 -0.265 -6.876 207 HD1 TYR 25 2HD TYR 25 -4.253 -1.008 -8.574 208 HD2 TYR 25 1HD TYR 25 0.033 -0.943 -8.871 209 HE1 TYR 25 2HE TYR 25 -4.411 -1.594 -10.978 210 HE2 TYR 25 1HE TYR 25 -0.126 -1.530 -11.276 211 HH TYR 25 HH TYR 25 -3.166 -1.528 -12.971 212 H CYS 26 H CYS 26 0.104 -2.205 -5.811 213 HA CYS 26 HA CYS 26 0.682 -4.165 -7.755 214 HB2 CYS 26 2HB CYS 26 2.096 -3.607 -5.136 215 HB3 CYS 26 1HB CYS 26 2.758 -4.523 -6.489 216 HG CYS 26 HG CYS 26 2.256 -1.450 -6.496 217 H ILE 27 H ILE 27 -0.373 -4.396 -4.397 218 HA ILE 27 HA ILE 27 -0.014 -7.211 -4.145 219 HB ILE 27 HB ILE 27 -1.724 -5.228 -2.639 220 HG12 ILE 27 2HG1 ILE 27 0.687 -6.780 -1.689 221 HG13 ILE 27 1HG1 ILE 27 0.860 -5.242 -2.534 222 HG21 ILE 27 1HG2 ILE 27 -1.473 -8.208 -2.425 223 HG22 ILE 27 2HG2 ILE 27 -2.896 -7.190 -2.204 224 HG23 ILE 27 3HG2 ILE 27 -1.659 -7.262 -0.949 225 HD11 ILE 27 3HD1 ILE 27 -0.935 -5.558 -0.121 226 HD12 ILE 27 1HD1 ILE 27 -0.343 -4.064 -0.848 227 HD13 ILE 27 2HD1 ILE 27 0.767 -5.122 0.023 228 H ASN 28 H ASN 28 -2.838 -5.180 -4.899 229 HA ASN 28 HA ASN 28 -4.790 -7.139 -5.076 230 HB2 ASN 28 2HB ASN 28 -4.392 -4.585 -6.635 231 HB3 ASN 28 1HB ASN 28 -5.820 -5.601 -6.834 232 HD21 ASN 28 1HD2 ASN 28 -6.654 -3.298 -5.923 233 HD22 ASN 28 2HD2 ASN 28 -6.859 -3.251 -4.239 234 H ALA 29 H ALA 29 -2.356 -6.189 -7.456 235 HA ALA 29 HA ALA 29 -3.361 -7.828 -9.567 236 HB1 ALA 29 1HB ALA 29 -1.032 -6.115 -9.087 237 HB2 ALA 29 2HB ALA 29 -1.938 -6.396 -10.574 238 HB3 ALA 29 3HB ALA 29 -0.673 -7.524 -10.085 239 H LYS 30 H LYS 30 -0.605 -8.209 -7.331 240 HA LYS 30 HA LYS 30 0.255 -10.722 -8.137 241 HB2 LYS 30 2HB LYS 30 0.238 -9.420 -5.411 242 HB3 LYS 30 1HB LYS 30 1.021 -10.969 -5.724 243 HG2 LYS 30 2HG LYS 30 2.573 -10.010 -7.233 244 HG3 LYS 30 1HG LYS 30 1.618 -8.539 -7.411 245 HD2 LYS 30 2HD LYS 30 2.069 -7.965 -5.047 246 HD3 LYS 30 1HD LYS 30 3.048 -9.424 -4.887 247 HE2 LYS 30 2HE LYS 30 4.445 -8.543 -6.832 248 HE3 LYS 30 1HE LYS 30 3.594 -7.012 -6.629 249 HZ1 LYS 30 3HZ LYS 30 5.825 -7.586 -5.344 250 HZ2 LYS 30 1HZ LYS 30 4.716 -8.220 -4.227 251 HZ3 LYS 30 2HZ LYS 30 4.623 -6.584 -4.683 252 H ALA 31 H ALA 31 -2.630 -9.829 -6.466 253 HA ALA 31 HA ALA 31 -3.143 -12.517 -5.466 254 HB1 ALA 31 1HB ALA 31 -5.456 -10.823 -5.374 255 HB2 ALA 31 2HB ALA 31 -4.051 -9.910 -4.823 256 HB3 ALA 31 3HB ALA 31 -4.478 -11.429 -4.037 257 H ASP 32 H ASP 32 -4.570 -10.282 -7.848 258 HA ASP 32 HA ASP 32 -6.546 -12.045 -8.811 259 HB2 ASP 32 2HB ASP 32 -5.129 -9.729 -10.143 260 HB3 ASP 32 1HB ASP 32 -6.513 -10.567 -10.843 261 H VAL 33 H VAL 33 -3.136 -11.899 -9.335 262 HA VAL 33 HA VAL 33 -2.840 -13.072 -11.838 263 HB VAL 33 HB VAL 33 -1.045 -12.213 -10.184 264 HG11 VAL 33 1HG1 VAL 33 -1.863 -14.006 -8.476 265 HG12 VAL 33 2HG1 VAL 33 -0.128 -13.734 -8.645 266 HG13 VAL 33 3HG1 VAL 33 -0.883 -15.123 -9.426 267 HG21 VAL 33 3HG2 VAL 33 0.599 -13.987 -11.145 268 HG22 VAL 33 1HG2 VAL 33 -0.290 -12.975 -12.284 269 HG23 VAL 33 2HG2 VAL 33 -0.819 -14.629 -11.974 270 H LEU 34 H LEU 34 -4.127 -14.408 -8.951 271 HA LEU 34 HA LEU 34 -3.576 -17.166 -9.522 272 HB2 LEU 34 2HB LEU 34 -5.690 -15.953 -7.727 273 HB3 LEU 34 1HB LEU 34 -5.151 -17.631 -7.712 274 HG LEU 34 HG LEU 34 -3.366 -15.237 -7.182 275 HD11 LEU 34 1HD1 LEU 34 -3.502 -16.874 -4.916 276 HD12 LEU 34 2HD1 LEU 34 -5.171 -16.759 -5.476 277 HD13 LEU 34 3HD1 LEU 34 -4.262 -15.293 -5.112 278 HD21 LEU 34 3HD2 LEU 34 -2.936 -18.160 -7.521 279 HD22 LEU 34 1HD2 LEU 34 -2.065 -17.392 -6.194 280 HD23 LEU 34 2HD2 LEU 34 -1.839 -16.817 -7.845 281 H PHE 35 H PHE 35 -6.472 -15.109 -9.817 282 HA PHE 35 HA PHE 35 -7.996 -17.189 -11.105 283 HB2 PHE 35 2HB PHE 35 -8.487 -14.246 -10.633 284 HB3 PHE 35 1HB PHE 35 -9.624 -15.277 -11.502 285 HD1 PHE 35 2HD PHE 35 -7.962 -14.688 -8.245 286 HD2 PHE 35 1HD PHE 35 -10.949 -16.937 -10.358 287 HE1 PHE 35 2HE PHE 35 -8.868 -15.510 -6.088 288 HE2 PHE 35 1HE PHE 35 -11.855 -17.760 -8.201 289 HZ PHE 35 HZ PHE 35 -10.814 -17.046 -6.066 290 H ILE 36 H ILE 36 -5.579 -15.109 -12.137 291 HA ILE 36 HA ILE 36 -6.595 -15.013 -14.902 292 HB ILE 36 HB ILE 36 -4.248 -13.593 -13.619 293 HG12 ILE 36 2HG1 ILE 36 -6.817 -12.387 -14.657 294 HG13 ILE 36 1HG1 ILE 36 -6.665 -12.936 -12.988 295 HG21 ILE 36 1HG2 ILE 36 -3.658 -13.741 -15.875 296 HG22 ILE 36 2HG2 ILE 36 -4.579 -12.237 -15.848 297 HG23 ILE 36 3HG2 ILE 36 -5.336 -13.725 -16.418 298 HD11 ILE 36 3HD1 ILE 36 -6.138 -10.506 -13.263 299 HD12 ILE 36 1HD1 ILE 36 -4.792 -10.953 -14.313 300 HD13 ILE 36 2HD1 ILE 36 -4.786 -11.435 -12.615 301 H ALA 37 H ALA 37 -3.284 -15.216 -13.632 302 HA ALA 37 HA ALA 37 -2.685 -17.263 -15.640 303 HB1 ALA 37 1HB ALA 37 -1.197 -15.165 -14.292 304 HB2 ALA 37 2HB ALA 37 -0.804 -16.044 -15.769 305 HB3 ALA 37 3HB ALA 37 -0.359 -16.714 -14.199 306 HA PRO 38 HA PRO 38 -2.513 -20.929 -13.262 307 HB2 PRO 38 2HB PRO 38 0.472 -20.815 -13.437 308 HB3 PRO 38 1HB PRO 38 -0.630 -22.153 -13.813 309 HG2 PRO 38 2HG PRO 38 0.520 -20.571 -15.697 310 HG3 PRO 38 1HG PRO 38 -1.024 -21.411 -15.916 311 HD2 PRO 38 2HD PRO 38 -0.538 -18.529 -15.693 312 HD3 PRO 38 1HD PRO 38 -2.022 -19.385 -16.165 313 H ARG 39 H ARG 39 -1.798 -21.794 -11.170 314 HA ARG 39 HA ARG 39 -1.100 -19.625 -9.300 315 HB2 ARG 39 2HB ARG 39 -1.863 -21.660 -7.694 316 HB3 ARG 39 1HB ARG 39 -2.993 -20.486 -8.370 317 HG2 ARG 39 2HG ARG 39 -3.656 -21.954 -10.108 318 HG3 ARG 39 1HG ARG 39 -2.263 -23.009 -9.859 319 HD2 ARG 39 2HD ARG 39 -4.186 -22.600 -7.597 320 HD3 ARG 39 1HD ARG 39 -4.643 -23.680 -8.911 321 HE ARG 39 HE ARG 39 -2.013 -24.126 -7.710 322 HH11 ARG 39 1HH2 ARG 39 -5.367 -24.946 -7.947 323 HH12 ARG 39 2HH2 ARG 39 -5.171 -26.523 -7.262 324 HH21 ARG 39 1HH1 ARG 39 -1.750 -26.195 -6.810 325 HH22 ARG 39 2HH1 ARG 39 -3.123 -27.231 -6.618 326 H GLU 40 H GLU 40 0.509 -19.904 -7.737 327 HA GLU 40 HA GLU 40 2.465 -22.024 -8.369 328 HB2 GLU 40 2HB GLU 40 3.563 -20.024 -6.653 329 HB3 GLU 40 1HB GLU 40 4.003 -20.400 -8.320 330 HG2 GLU 40 2HG GLU 40 1.693 -18.613 -7.513 331 HG3 GLU 40 1HG GLU 40 3.274 -18.033 -8.036 332 HA PRO 41 HA PRO 41 2.353 -24.166 -4.551 333 HB2 PRO 41 2HB PRO 41 4.967 -22.927 -3.796 334 HB3 PRO 41 1HB PRO 41 4.491 -24.636 -3.817 335 HG2 PRO 41 2HG PRO 41 6.024 -23.496 -5.731 336 HG3 PRO 41 1HG PRO 41 4.950 -24.872 -6.029 337 HD2 PRO 41 2HD PRO 41 4.709 -22.088 -6.947 338 HD3 PRO 41 1HD PRO 41 3.890 -23.549 -7.539 339 H GLY 42 H GLY 42 1.335 -23.742 -2.659 340 HA2 GLY 42 2HA GLY 42 1.162 -22.573 -0.557 341 HA3 GLY 42 1HA GLY 42 1.765 -21.127 -1.359 342 H ALA 43 H ALA 43 0.134 -21.249 -3.677 343 HA ALA 43 HA ALA 43 -2.242 -20.013 -2.672 344 HB1 ALA 43 1HB ALA 43 -1.294 -19.215 -4.741 345 HB2 ALA 43 2HB ALA 43 -2.875 -19.910 -5.096 346 HB3 ALA 43 3HB ALA 43 -1.409 -20.818 -5.466 347 H VAL 44 H VAL 44 -2.464 -22.310 -1.453 348 HA VAL 44 HA VAL 44 -4.052 -24.169 -3.064 349 HB VAL 44 HB VAL 44 -3.313 -24.368 -0.139 350 HG11 VAL 44 1HG1 VAL 44 -3.791 -26.743 -0.468 351 HG12 VAL 44 2HG1 VAL 44 -4.118 -26.464 -2.179 352 HG13 VAL 44 3HG1 VAL 44 -5.194 -25.789 -0.955 353 HG21 VAL 44 3HG2 VAL 44 -1.791 -26.154 -1.719 354 HG22 VAL 44 1HG2 VAL 44 -1.199 -24.758 -0.817 355 HG23 VAL 44 2HG2 VAL 44 -1.671 -24.582 -2.508 356 H SER 45 H SER 45 -6.219 -24.337 -2.952 357 HA SER 45 HA SER 45 -7.887 -22.349 -2.112 358 HB2 SER 45 2HB SER 45 -9.270 -24.791 -1.632 359 HB3 SER 45 1HB SER 45 -9.378 -23.736 -3.037 360 HG SER 45 HG SER 45 -7.687 -25.950 -2.580 361 H TYR 46 H TYR 46 -8.665 -21.597 -0.233 362 HA TYR 46 HA TYR 46 -8.608 -23.291 2.155 363 HB2 TYR 46 2HB TYR 46 -6.445 -21.862 1.891 364 HB3 TYR 46 1HB TYR 46 -7.486 -20.512 2.347 365 HD1 TYR 46 1HD TYR 46 -6.820 -24.055 3.415 366 HD2 TYR 46 2HD TYR 46 -7.648 -20.013 4.612 367 HE1 TYR 46 1HE TYR 46 -6.650 -24.724 5.797 368 HE2 TYR 46 2HE TYR 46 -7.478 -20.683 6.994 369 HH TYR 46 HH TYR 46 -6.118 -23.573 7.995 Start of MODEL 8 1 H ALA 1 1HT ALA 1 1.796 31.102 11.122 2 HA ALA 1 HA ALA 1 4.045 29.282 10.464 3 HB1 ALA 1 2HB ALA 1 3.952 31.048 12.495 4 HB2 ALA 1 3HB ALA 1 4.691 29.454 12.660 5 HB3 ALA 1 1HB ALA 1 3.045 29.728 13.232 6 H SER 2 H SER 2 0.965 29.612 12.246 7 HA SER 2 HA SER 2 0.529 26.839 12.576 8 HB2 SER 2 2HB SER 2 -0.624 28.883 13.721 9 HB3 SER 2 1HB SER 2 -1.726 28.809 12.350 10 HG SER 2 HG SER 2 -1.223 26.356 13.410 11 H LYS 3 H LYS 3 -0.868 29.148 10.239 12 HA LYS 3 HA LYS 3 -2.386 27.316 8.771 13 HB2 LYS 3 2HB LYS 3 -0.975 29.755 7.668 14 HB3 LYS 3 1HB LYS 3 -2.412 28.970 7.011 15 HG2 LYS 3 2HG LYS 3 -3.538 29.441 9.251 16 HG3 LYS 3 1HG LYS 3 -2.156 30.475 9.620 17 HD2 LYS 3 2HD LYS 3 -2.913 31.254 7.047 18 HD3 LYS 3 1HD LYS 3 -4.442 31.003 7.887 19 HE2 LYS 3 2HE LYS 3 -2.171 32.835 8.675 20 HE3 LYS 3 1HE LYS 3 -3.844 33.271 8.321 21 HZ1 LYS 3 3HZ LYS 3 -4.047 31.435 10.321 22 HZ2 LYS 3 1HZ LYS 3 -4.168 33.117 10.502 23 HZ3 LYS 3 2HZ LYS 3 -2.680 32.341 10.765 24 H GLU 4 H GLU 4 1.022 28.179 8.542 25 HA GLU 4 HA GLU 4 1.574 26.856 6.104 26 HB2 GLU 4 2HB GLU 4 3.106 28.502 7.103 27 HB3 GLU 4 1HB GLU 4 3.416 27.401 8.445 28 HG2 GLU 4 2HG GLU 4 4.857 26.153 7.228 29 HG3 GLU 4 1HG GLU 4 3.783 26.131 5.831 30 H LEU 5 H LEU 5 2.187 25.806 9.464 31 HA LEU 5 HA LEU 5 3.080 23.226 8.858 32 HB2 LEU 5 2HB LEU 5 1.732 24.389 11.291 33 HB3 LEU 5 1HB LEU 5 2.248 22.703 11.225 34 HG LEU 5 HG LEU 5 4.231 24.760 10.376 35 HD11 LEU 5 1HD1 LEU 5 3.397 25.830 12.369 36 HD12 LEU 5 2HD1 LEU 5 4.904 25.022 12.803 37 HD13 LEU 5 3HD1 LEU 5 3.357 24.297 13.240 38 HD21 LEU 5 3HD2 LEU 5 5.784 23.171 11.291 39 HD22 LEU 5 1HD2 LEU 5 4.572 22.234 10.416 40 HD23 LEU 5 2HD2 LEU 5 4.505 22.338 12.175 41 H GLU 6 H GLU 6 -0.181 24.498 9.237 42 HA GLU 6 HA GLU 6 -1.581 22.063 9.362 43 HB2 GLU 6 2HB GLU 6 -2.538 24.349 9.789 44 HB3 GLU 6 1HB GLU 6 -2.537 24.613 8.044 45 HG2 GLU 6 2HG GLU 6 -4.582 23.650 8.041 46 HG3 GLU 6 1HG GLU 6 -3.744 22.124 8.315 47 H LEU 7 H LEU 7 -0.702 24.087 6.562 48 HA LEU 7 HA LEU 7 -1.878 22.517 4.572 49 HB2 LEU 7 2HB LEU 7 0.130 24.643 4.713 50 HB3 LEU 7 1HB LEU 7 0.421 23.515 3.390 51 HG LEU 7 HG LEU 7 -1.964 23.809 2.678 52 HD11 LEU 7 1HD1 LEU 7 -2.413 26.299 4.072 53 HD12 LEU 7 2HD1 LEU 7 -2.165 25.003 5.240 54 HD13 LEU 7 3HD1 LEU 7 -3.434 24.863 4.023 55 HD21 LEU 7 3HD2 LEU 7 -1.660 26.151 1.840 56 HD22 LEU 7 1HD2 LEU 7 -0.252 25.122 1.574 57 HD23 LEU 7 2HD2 LEU 7 -0.248 26.299 2.887 58 H ILE 8 H ILE 8 1.328 22.319 6.061 59 HA ILE 8 HA ILE 8 2.354 20.269 4.424 60 HB ILE 8 HB ILE 8 2.985 21.023 7.284 61 HG12 ILE 8 2HG1 ILE 8 3.396 22.554 5.161 62 HG13 ILE 8 1HG1 ILE 8 4.636 22.403 6.405 63 HG21 ILE 8 1HG2 ILE 8 3.772 18.810 7.127 64 HG22 ILE 8 2HG2 ILE 8 5.181 19.764 6.667 65 HG23 ILE 8 3HG2 ILE 8 4.199 18.984 5.427 66 HD11 ILE 8 3HD1 ILE 8 5.934 20.916 5.105 67 HD12 ILE 8 1HD1 ILE 8 5.373 22.108 3.937 68 HD13 ILE 8 2HD1 ILE 8 4.592 20.533 4.032 69 H THR 9 H THR 9 0.438 20.187 7.379 70 HA THR 9 HA THR 9 0.603 17.445 7.933 71 HB THR 9 HB THR 9 -1.781 19.259 8.372 72 HG1 THR 9 1HG THR 9 -0.350 18.917 10.544 73 HG21 THR 9 3HG2 THR 9 -1.355 17.366 10.451 74 HG22 THR 9 1HG2 THR 9 -1.294 16.490 8.921 75 HG23 THR 9 2HG2 THR 9 -2.712 17.455 9.329 76 H LEU 10 H LEU 10 -1.746 19.244 5.946 77 HA LEU 10 HA LEU 10 -3.272 16.988 5.162 78 HB2 LEU 10 2HB LEU 10 -3.138 19.816 4.516 79 HB3 LEU 10 1HB LEU 10 -3.417 18.844 3.071 80 HG LEU 10 HG LEU 10 -5.320 17.742 4.140 81 HD11 LEU 10 1HD1 LEU 10 -5.904 19.180 6.416 82 HD12 LEU 10 2HD1 LEU 10 -4.152 19.020 6.523 83 HD13 LEU 10 3HD1 LEU 10 -5.162 17.579 6.403 84 HD21 LEU 10 3HD2 LEU 10 -6.784 19.493 3.814 85 HD22 LEU 10 1HD2 LEU 10 -5.330 20.241 3.153 86 HD23 LEU 10 2HD2 LEU 10 -5.838 20.605 4.803 87 H THR 11 H THR 11 -0.410 18.530 3.803 88 HA THR 11 HA THR 11 -0.335 17.106 1.364 89 HB THR 11 HB THR 11 1.936 18.258 3.005 90 HG1 THR 11 1HG THR 11 1.523 19.724 0.962 91 HG21 THR 11 3HG2 THR 11 1.800 16.863 0.392 92 HG22 THR 11 1HG2 THR 11 3.150 17.021 1.517 93 HG23 THR 11 2HG2 THR 11 2.754 18.347 0.423 94 H VAL 12 H VAL 12 1.391 16.508 4.433 95 HA VAL 12 HA VAL 12 2.649 14.124 3.685 96 HB VAL 12 HB VAL 12 1.696 15.118 6.374 97 HG11 VAL 12 1HG1 VAL 12 3.585 13.323 7.017 98 HG12 VAL 12 2HG1 VAL 12 2.965 12.546 5.559 99 HG13 VAL 12 3HG1 VAL 12 1.879 12.886 6.907 100 HG21 VAL 12 3HG2 VAL 12 4.401 14.985 5.005 101 HG22 VAL 12 1HG2 VAL 12 4.152 15.494 6.675 102 HG23 VAL 12 2HG2 VAL 12 3.472 16.444 5.353 103 H GLY 13 H GLY 13 -0.610 14.726 4.824 104 HA2 GLY 13 2HA GLY 13 -1.303 12.013 5.343 105 HA3 GLY 13 1HA GLY 13 -2.430 13.351 5.148 106 H PHE 14 H PHE 14 -1.838 14.175 2.596 107 HA PHE 14 HA PHE 14 -3.252 12.263 1.024 108 HB2 PHE 14 2HB PHE 14 -3.568 14.619 0.575 109 HB3 PHE 14 1HB PHE 14 -1.845 14.833 0.261 110 HD1 PHE 14 1HD PHE 14 -4.809 12.850 -0.895 111 HD2 PHE 14 2HD PHE 14 -1.021 14.595 -1.921 112 HE1 PHE 14 1HE PHE 14 -5.162 12.222 -3.268 113 HE2 PHE 14 2HE PHE 14 -1.373 13.968 -4.294 114 HZ PHE 14 HZ PHE 14 -3.444 12.783 -4.968 115 H GLY 15 H GLY 15 0.100 13.117 1.486 116 HA2 GLY 15 2HA GLY 15 1.118 11.770 -0.835 117 HA3 GLY 15 1HA GLY 15 2.059 12.286 0.560 118 H ILE 16 H ILE 16 0.560 10.869 2.532 119 HA ILE 16 HA ILE 16 1.862 8.316 2.356 120 HB ILE 16 HB ILE 16 -0.131 9.479 4.297 121 HG12 ILE 16 2HG1 ILE 16 2.726 8.636 4.784 122 HG13 ILE 16 1HG1 ILE 16 2.343 10.229 4.131 123 HG21 ILE 16 1HG2 ILE 16 -0.603 7.191 4.488 124 HG22 ILE 16 2HG2 ILE 16 0.673 7.416 5.684 125 HG23 ILE 16 3HG2 ILE 16 1.054 6.719 4.108 126 HD11 ILE 16 3HD1 ILE 16 2.528 10.316 6.586 127 HD12 ILE 16 1HD1 ILE 16 1.272 9.084 6.725 128 HD13 ILE 16 2HD1 ILE 16 0.880 10.672 6.066 129 H LEU 17 H LEU 17 -1.425 9.461 1.871 130 HA LEU 17 HA LEU 17 -2.671 6.913 1.706 131 HB2 LEU 17 2HB LEU 17 -3.559 9.505 1.693 132 HB3 LEU 17 1HB LEU 17 -3.820 9.026 0.016 133 HG LEU 17 HG LEU 17 -4.901 6.894 0.966 134 HD11 LEU 17 1HD1 LEU 17 -5.165 6.657 3.200 135 HD12 LEU 17 2HD1 LEU 17 -5.697 8.327 3.391 136 HD13 LEU 17 3HD1 LEU 17 -3.976 7.947 3.369 137 HD21 LEU 17 3HD2 LEU 17 -6.042 9.676 1.147 138 HD22 LEU 17 1HD2 LEU 17 -7.026 8.284 1.598 139 HD23 LEU 17 2HD2 LEU 17 -6.381 8.415 -0.040 140 H ILE 18 H ILE 18 -1.385 9.071 -0.806 141 HA ILE 18 HA ILE 18 -2.059 7.474 -3.012 142 HB ILE 18 HB ILE 18 0.276 9.364 -2.640 143 HG12 ILE 18 2HG1 ILE 18 -2.269 10.079 -2.433 144 HG13 ILE 18 1HG1 ILE 18 -1.133 11.074 -3.340 145 HG21 ILE 18 1HG2 ILE 18 -0.013 9.477 -5.224 146 HG22 ILE 18 2HG2 ILE 18 -0.848 7.933 -5.043 147 HG23 ILE 18 3HG2 ILE 18 0.836 8.090 -4.540 148 HD11 ILE 18 3HD1 ILE 18 -3.382 10.503 -4.481 149 HD12 ILE 18 1HD1 ILE 18 -2.714 8.886 -4.697 150 HD13 ILE 18 2HD1 ILE 18 -1.917 10.276 -5.428 151 H PHE 19 H PHE 19 0.805 7.477 -0.935 152 HA PHE 19 HA PHE 19 2.281 5.556 -2.412 153 HB2 PHE 19 2HB PHE 19 3.394 6.951 -0.778 154 HB3 PHE 19 1HB PHE 19 2.376 6.317 0.514 155 HD1 PHE 19 2HD PHE 19 4.830 5.246 -2.100 156 HD2 PHE 19 1HD PHE 19 3.028 4.398 1.706 157 HE1 PHE 19 2HE PHE 19 6.421 3.374 -1.763 158 HE2 PHE 19 1HE PHE 19 4.618 2.525 2.041 159 HZ PHE 19 HZ PHE 19 6.315 2.013 0.307 160 H SER 20 H SER 20 0.015 5.285 0.304 161 HA SER 20 HA SER 20 0.309 2.495 0.679 162 HB2 SER 20 2HB SER 20 -1.394 4.620 1.691 163 HB3 SER 20 1HB SER 20 -2.302 3.133 1.436 164 HG SER 20 HG SER 20 -1.203 3.372 3.523 165 H LEU 21 H LEU 21 -1.874 4.426 -1.349 166 HA LEU 21 HA LEU 21 -3.572 2.379 -2.185 167 HB2 LEU 21 2HB LEU 21 -3.985 4.785 -2.583 168 HB3 LEU 21 1HB LEU 21 -2.644 4.818 -3.726 169 HG LEU 21 HG LEU 21 -4.419 2.638 -4.346 170 HD11 LEU 21 1HD1 LEU 21 -6.359 4.054 -5.065 171 HD12 LEU 21 2HD1 LEU 21 -5.643 5.404 -4.183 172 HD13 LEU 21 3HD1 LEU 21 -6.174 3.967 -3.312 173 HD21 LEU 21 3HD2 LEU 21 -2.763 3.750 -5.851 174 HD22 LEU 21 1HD2 LEU 21 -3.775 5.194 -5.845 175 HD23 LEU 21 2HD2 LEU 21 -4.382 3.696 -6.550 176 H ILE 22 H ILE 22 -0.466 3.491 -3.465 177 HA ILE 22 HA ILE 22 -0.466 1.816 -5.762 178 HB ILE 22 HB ILE 22 1.826 3.060 -4.228 179 HG12 ILE 22 2HG1 ILE 22 0.608 3.895 -6.870 180 HG13 ILE 22 1HG1 ILE 22 0.042 4.538 -5.328 181 HG21 ILE 22 1HG2 ILE 22 2.739 2.722 -6.755 182 HG22 ILE 22 2HG2 ILE 22 1.703 1.302 -6.619 183 HG23 ILE 22 3HG2 ILE 22 3.017 1.547 -5.470 184 HD11 ILE 22 3HD1 ILE 22 2.977 4.579 -5.707 185 HD12 ILE 22 1HD1 ILE 22 1.913 5.808 -5.024 186 HD13 ILE 22 2HD1 ILE 22 2.068 5.649 -6.774 187 H VAL 23 H VAL 23 0.673 1.370 -2.458 188 HA VAL 23 HA VAL 23 2.079 -1.045 -2.857 189 HB VAL 23 HB VAL 23 0.661 -0.016 -0.388 190 HG11 VAL 23 1HG1 VAL 23 2.755 -1.552 0.460 191 HG12 VAL 23 2HG1 VAL 23 2.245 -2.440 -0.977 192 HG13 VAL 23 3HG1 VAL 23 1.097 -2.135 0.326 193 HG21 VAL 23 3HG2 VAL 23 2.464 1.316 -0.039 194 HG22 VAL 23 1HG2 VAL 23 2.815 1.069 -1.750 195 HG23 VAL 23 2HG2 VAL 23 3.593 0.055 -0.534 196 H THR 24 H THR 24 -1.247 -0.450 -1.704 197 HA THR 24 HA THR 24 -2.012 -3.149 -1.504 198 HB THR 24 HB THR 24 -3.722 -0.725 -2.116 199 HG1 THR 24 1HG THR 24 -4.104 -1.121 0.250 200 HG21 THR 24 3HG2 THR 24 -4.937 -2.758 -2.626 201 HG22 THR 24 1HG2 THR 24 -5.519 -2.145 -1.078 202 HG23 THR 24 2HG2 THR 24 -4.398 -3.506 -1.123 203 H TYR 25 H TYR 25 -1.882 -0.938 -4.221 204 HA TYR 25 HA TYR 25 -3.459 -2.457 -6.033 205 HB2 TYR 25 2HB TYR 25 -2.916 -0.097 -6.433 206 HB3 TYR 25 1HB TYR 25 -1.209 -0.510 -6.598 207 HD1 TYR 25 2HD TYR 25 -4.581 -1.316 -8.011 208 HD2 TYR 25 1HD TYR 25 -0.344 -1.138 -8.687 209 HE1 TYR 25 2HE TYR 25 -4.941 -1.853 -10.406 210 HE2 TYR 25 1HE TYR 25 -0.702 -1.675 -11.081 211 HH TYR 25 HH TYR 25 -3.632 -2.856 -12.279 212 H CYS 26 H CYS 26 0.050 -2.302 -5.459 213 HA CYS 26 HA CYS 26 0.864 -4.111 -7.432 214 HB2 CYS 26 2HB CYS 26 2.060 -3.608 -4.696 215 HB3 CYS 26 1HB CYS 26 2.871 -4.446 -6.018 216 HG CYS 26 HG CYS 26 1.900 -1.683 -6.860 217 H ILE 27 H ILE 27 -0.370 -4.631 -4.168 218 HA ILE 27 HA ILE 27 0.147 -7.456 -4.144 219 HB ILE 27 HB ILE 27 -1.777 -5.800 -2.488 220 HG12 ILE 27 2HG1 ILE 27 0.562 -5.088 -2.250 221 HG13 ILE 27 1HG1 ILE 27 0.019 -5.897 -0.784 222 HG21 ILE 27 1HG2 ILE 27 -0.866 -8.663 -2.364 223 HG22 ILE 27 2HG2 ILE 27 -2.497 -8.015 -2.184 224 HG23 ILE 27 3HG2 ILE 27 -1.319 -7.817 -0.886 225 HD11 ILE 27 3HD1 ILE 27 2.037 -6.986 -1.084 226 HD12 ILE 27 1HD1 ILE 27 2.003 -6.785 -2.829 227 HD13 ILE 27 2HD1 ILE 27 1.031 -8.040 -2.071 228 H ASN 28 H ASN 28 -2.853 -5.578 -4.492 229 HA ASN 28 HA ASN 28 -4.634 -7.628 -4.947 230 HB2 ASN 28 2HB ASN 28 -4.459 -4.820 -5.982 231 HB3 ASN 28 1HB ASN 28 -5.725 -5.893 -6.580 232 HD21 ASN 28 1HD2 ASN 28 -4.483 -6.187 -3.278 233 HD22 ASN 28 2HD2 ASN 28 -5.890 -5.620 -2.516 234 H ALA 29 H ALA 29 -2.485 -6.066 -7.302 235 HA ALA 29 HA ALA 29 -3.394 -7.460 -9.576 236 HB1 ALA 29 1HB ALA 29 -2.009 -5.937 -10.460 237 HB2 ALA 29 2HB ALA 29 -0.665 -6.965 -9.965 238 HB3 ALA 29 3HB ALA 29 -1.224 -5.673 -8.903 239 H LYS 30 H LYS 30 -0.654 -8.119 -7.416 240 HA LYS 30 HA LYS 30 0.257 -10.446 -8.691 241 HB2 LYS 30 2HB LYS 30 0.407 -9.662 -5.774 242 HB3 LYS 30 1HB LYS 30 1.321 -10.977 -6.511 243 HG2 LYS 30 2HG LYS 30 1.574 -8.525 -8.054 244 HG3 LYS 30 1HG LYS 30 2.092 -8.288 -6.385 245 HD2 LYS 30 2HD LYS 30 3.671 -10.091 -6.529 246 HD3 LYS 30 1HD LYS 30 3.021 -10.618 -8.082 247 HE2 LYS 30 2HE LYS 30 4.256 -7.888 -7.648 248 HE3 LYS 30 1HE LYS 30 5.169 -9.281 -8.230 249 HZ1 LYS 30 3HZ LYS 30 4.314 -7.886 -10.038 250 HZ2 LYS 30 1HZ LYS 30 2.727 -8.194 -9.523 251 HZ3 LYS 30 2HZ LYS 30 3.695 -9.466 -10.100 252 H ALA 31 H ALA 31 -2.419 -9.906 -6.537 253 HA ALA 31 HA ALA 31 -2.814 -12.737 -6.022 254 HB1 ALA 31 1HB ALA 31 -4.544 -10.362 -5.311 255 HB2 ALA 31 2HB ALA 31 -3.314 -11.076 -4.269 256 HB3 ALA 31 3HB ALA 31 -4.749 -12.005 -4.708 257 H ASP 32 H ASP 32 -3.834 -10.373 -8.275 258 HA ASP 32 HA ASP 32 -6.219 -11.785 -9.098 259 HB2 ASP 32 2HB ASP 32 -4.815 -9.299 -9.990 260 HB3 ASP 32 1HB ASP 32 -6.012 -10.046 -11.046 261 H VAL 33 H VAL 33 -2.892 -11.709 -9.946 262 HA VAL 33 HA VAL 33 -3.094 -12.741 -12.581 263 HB VAL 33 HB VAL 33 -0.812 -13.047 -10.613 264 HG11 VAL 33 1HG1 VAL 33 0.374 -12.953 -12.999 265 HG12 VAL 33 2HG1 VAL 33 -1.174 -13.606 -13.533 266 HG13 VAL 33 3HG1 VAL 33 -0.216 -14.474 -12.333 267 HG21 VAL 33 3HG2 VAL 33 -1.910 -10.743 -11.980 268 HG22 VAL 33 1HG2 VAL 33 -0.276 -11.070 -12.556 269 HG23 VAL 33 2HG2 VAL 33 -0.570 -10.817 -10.837 270 H LEU 34 H LEU 34 -3.291 -14.184 -9.434 271 HA LEU 34 HA LEU 34 -3.041 -16.879 -10.523 272 HB2 LEU 34 2HB LEU 34 -3.216 -15.777 -7.732 273 HB3 LEU 34 1HB LEU 34 -3.395 -17.500 -8.045 274 HG LEU 34 HG LEU 34 -1.046 -16.848 -7.467 275 HD11 LEU 34 1HD1 LEU 34 -0.232 -18.454 -8.867 276 HD12 LEU 34 2HD1 LEU 34 -0.791 -17.604 -10.309 277 HD13 LEU 34 3HD1 LEU 34 -1.913 -18.597 -9.384 278 HD21 LEU 34 3HD2 LEU 34 -0.926 -15.508 -10.165 279 HD22 LEU 34 1HD2 LEU 34 0.220 -15.398 -8.830 280 HD23 LEU 34 2HD2 LEU 34 -1.341 -14.587 -8.721 281 H PHE 35 H PHE 35 -5.311 -15.110 -8.536 282 HA PHE 35 HA PHE 35 -7.425 -17.029 -9.036 283 HB2 PHE 35 2HB PHE 35 -7.280 -14.425 -7.563 284 HB3 PHE 35 1HB PHE 35 -8.816 -15.218 -7.871 285 HD1 PHE 35 2HD PHE 35 -8.954 -17.767 -7.251 286 HD2 PHE 35 1HD PHE 35 -6.031 -15.047 -5.669 287 HE1 PHE 35 2HE PHE 35 -8.543 -19.312 -5.354 288 HE2 PHE 35 1HE PHE 35 -5.620 -16.592 -3.772 289 HZ PHE 35 HZ PHE 35 -6.876 -18.724 -3.615 290 H ILE 36 H ILE 36 -6.288 -15.704 -11.326 291 HA ILE 36 HA ILE 36 -7.593 -13.655 -12.528 292 HB ILE 36 HB ILE 36 -6.915 -16.319 -13.778 293 HG12 ILE 36 2HG1 ILE 36 -5.447 -13.716 -14.134 294 HG13 ILE 36 1HG1 ILE 36 -5.154 -14.708 -12.708 295 HG21 ILE 36 1HG2 ILE 36 -8.195 -13.876 -14.850 296 HG22 ILE 36 2HG2 ILE 36 -8.211 -15.525 -15.477 297 HG23 ILE 36 3HG2 ILE 36 -6.828 -14.476 -15.791 298 HD11 ILE 36 3HD1 ILE 36 -3.616 -15.157 -14.695 299 HD12 ILE 36 1HD1 ILE 36 -5.028 -15.826 -15.512 300 HD13 ILE 36 2HD1 ILE 36 -4.437 -16.568 -14.027 301 H ALA 37 H ALA 37 -8.706 -16.686 -13.771 302 HA ALA 37 HA ALA 37 -11.364 -15.767 -14.072 303 HB1 ALA 37 1HB ALA 37 -11.403 -18.592 -14.130 304 HB2 ALA 37 2HB ALA 37 -9.855 -18.095 -14.815 305 HB3 ALA 37 3HB ALA 37 -11.361 -17.487 -15.504 306 HA PRO 38 HA PRO 38 -13.658 -16.554 -10.412 307 HB2 PRO 38 2HB PRO 38 -14.968 -18.876 -11.758 308 HB3 PRO 38 1HB PRO 38 -15.699 -17.497 -10.917 309 HG2 PRO 38 2HG PRO 38 -15.601 -17.715 -13.612 310 HG3 PRO 38 1HG PRO 38 -15.628 -16.168 -12.753 311 HD2 PRO 38 2HD PRO 38 -13.430 -17.400 -14.257 312 HD3 PRO 38 1HD PRO 38 -13.617 -15.725 -13.697 313 H ARG 39 H ARG 39 -13.790 -17.991 -8.606 314 HA ARG 39 HA ARG 39 -11.685 -20.019 -8.589 315 HB2 ARG 39 2HB ARG 39 -12.071 -20.022 -6.130 316 HB3 ARG 39 1HB ARG 39 -11.679 -18.421 -6.761 317 HG2 ARG 39 2HG ARG 39 -14.117 -17.901 -6.854 318 HG3 ARG 39 1HG ARG 39 -14.452 -19.466 -6.115 319 HD2 ARG 39 2HD ARG 39 -14.320 -18.312 -4.163 320 HD3 ARG 39 1HD ARG 39 -12.581 -18.471 -4.398 321 HE ARG 39 HE ARG 39 -13.771 -16.145 -5.673 322 HH11 ARG 39 1HH2 ARG 39 -12.284 -17.516 -2.864 323 HH12 ARG 39 2HH2 ARG 39 -11.737 -15.994 -2.241 324 HH21 ARG 39 1HH1 ARG 39 -13.057 -14.147 -4.861 325 HH22 ARG 39 2HH1 ARG 39 -12.176 -14.087 -3.372 326 H GLU 40 H GLU 40 -11.998 -22.177 -8.239 327 HA GLU 40 HA GLU 40 -14.719 -23.111 -8.629 328 HB2 GLU 40 2HB GLU 40 -12.006 -24.342 -8.899 329 HB3 GLU 40 1HB GLU 40 -13.412 -25.392 -8.707 330 HG2 GLU 40 2HG GLU 40 -13.445 -23.153 -10.719 331 HG3 GLU 40 1HG GLU 40 -12.693 -24.697 -11.114 332 HA PRO 41 HA PRO 41 -15.367 -24.250 -4.412 333 HB2 PRO 41 2HB PRO 41 -16.904 -26.513 -4.725 334 HB3 PRO 41 1HB PRO 41 -17.513 -24.861 -4.944 335 HG2 PRO 41 2HG PRO 41 -16.648 -26.844 -6.990 336 HG3 PRO 41 1HG PRO 41 -18.013 -25.713 -7.017 337 HD2 PRO 41 2HD PRO 41 -15.713 -25.233 -8.365 338 HD3 PRO 41 1HD PRO 41 -16.701 -23.930 -7.675 339 H GLY 42 H GLY 42 -14.947 -27.270 -6.279 340 HA2 GLY 42 2HA GLY 42 -13.339 -28.934 -6.075 341 HA3 GLY 42 1HA GLY 42 -12.540 -27.969 -4.838 342 H ALA 43 H ALA 43 -15.742 -29.516 -5.198 343 HA ALA 43 HA ALA 43 -15.312 -31.375 -3.081 344 HB1 ALA 43 1HB ALA 43 -17.231 -29.155 -2.386 345 HB2 ALA 43 2HB ALA 43 -15.550 -29.147 -1.852 346 HB3 ALA 43 3HB ALA 43 -16.631 -30.444 -1.342 347 H VAL 44 H VAL 44 -16.415 -31.100 -5.831 348 HA VAL 44 HA VAL 44 -19.239 -31.779 -5.458 349 HB VAL 44 HB VAL 44 -17.580 -31.414 -7.963 350 HG11 VAL 44 1HG1 VAL 44 -20.317 -32.429 -7.460 351 HG12 VAL 44 2HG1 VAL 44 -19.252 -32.700 -8.839 352 HG13 VAL 44 3HG1 VAL 44 -20.184 -31.209 -8.725 353 HG21 VAL 44 3HG2 VAL 44 -18.411 -29.254 -8.064 354 HG22 VAL 44 1HG2 VAL 44 -18.326 -29.454 -6.314 355 HG23 VAL 44 2HG2 VAL 44 -19.865 -29.660 -7.151 356 H SER 45 H SER 45 -19.903 -33.816 -5.297 357 HA SER 45 HA SER 45 -18.030 -35.994 -5.724 358 HB2 SER 45 2HB SER 45 -20.068 -37.363 -4.963 359 HB3 SER 45 1HB SER 45 -19.351 -36.262 -3.790 360 HG SER 45 HG SER 45 -20.965 -34.770 -4.277 361 H TYR 46 H TYR 46 -18.391 -37.762 -7.126 362 HA TYR 46 HA TYR 46 -19.821 -37.016 -9.572 363 HB2 TYR 46 2HB TYR 46 -17.801 -39.172 -8.941 364 HB3 TYR 46 1HB TYR 46 -18.629 -39.053 -10.493 365 HD1 TYR 46 1HD TYR 46 -18.472 -36.834 -11.778 366 HD2 TYR 46 2HD TYR 46 -15.909 -37.835 -8.479 367 HE1 TYR 46 1HE TYR 46 -16.852 -35.106 -12.514 368 HE2 TYR 46 2HE TYR 46 -14.290 -36.108 -9.215 369 HH TYR 46 HH TYR 46 -15.053 -33.839 -11.768 Start of MODEL 9 1 H ALA 1 1HT ALA 1 1.469 31.960 11.886 2 HA ALA 1 HA ALA 1 2.311 30.282 9.810 3 HB1 ALA 1 2HB ALA 1 2.957 30.944 12.607 4 HB2 ALA 1 3HB ALA 1 4.034 30.688 11.233 5 HB3 ALA 1 1HB ALA 1 3.408 29.306 12.133 6 H SER 2 H SER 2 -0.320 29.932 11.877 7 HA SER 2 HA SER 2 -0.218 27.137 12.415 8 HB2 SER 2 2HB SER 2 -1.831 27.945 13.774 9 HB3 SER 2 1HB SER 2 -2.142 29.328 12.728 10 HG SER 2 HG SER 2 -3.390 27.991 11.414 11 H LYS 3 H LYS 3 -1.639 29.081 9.818 12 HA LYS 3 HA LYS 3 -2.998 26.977 8.504 13 HB2 LYS 3 2HB LYS 3 -3.170 28.478 6.631 14 HB3 LYS 3 1HB LYS 3 -3.352 29.432 8.103 15 HG2 LYS 3 2HG LYS 3 -0.758 29.739 7.914 16 HG3 LYS 3 1HG LYS 3 -1.008 29.284 6.229 17 HD2 LYS 3 2HD LYS 3 -2.667 31.090 5.979 18 HD3 LYS 3 1HD LYS 3 -2.427 31.546 7.667 19 HE2 LYS 3 2HE LYS 3 -1.107 32.986 6.145 20 HE3 LYS 3 1HE LYS 3 -0.064 32.047 7.213 21 HZ1 LYS 3 3HZ LYS 3 -0.524 30.478 4.981 22 HZ2 LYS 3 1HZ LYS 3 0.920 31.254 5.412 23 HZ3 LYS 3 2HZ LYS 3 -0.189 32.033 4.389 24 H GLU 4 H GLU 4 0.329 28.044 8.484 25 HA GLU 4 HA GLU 4 1.116 26.626 6.129 26 HB2 GLU 4 2HB GLU 4 2.360 28.557 7.256 27 HB3 GLU 4 1HB GLU 4 2.921 27.370 8.435 28 HG2 GLU 4 2HG GLU 4 4.586 26.883 6.997 29 HG3 GLU 4 1HG GLU 4 3.369 26.146 5.960 30 H LEU 5 H LEU 5 1.442 25.956 9.619 31 HA LEU 5 HA LEU 5 2.708 23.467 9.412 32 HB2 LEU 5 2HB LEU 5 0.776 24.476 11.511 33 HB3 LEU 5 1HB LEU 5 1.790 23.044 11.685 34 HG LEU 5 HG LEU 5 3.105 25.615 10.901 35 HD11 LEU 5 1HD1 LEU 5 1.793 25.039 13.524 36 HD12 LEU 5 2HD1 LEU 5 2.052 26.584 12.710 37 HD13 LEU 5 3HD1 LEU 5 3.384 25.796 13.555 38 HD21 LEU 5 3HD2 LEU 5 4.924 24.638 12.273 39 HD22 LEU 5 1HD2 LEU 5 4.392 23.514 11.024 40 HD23 LEU 5 2HD2 LEU 5 3.875 23.286 12.695 41 H GLU 6 H GLU 6 -0.688 24.360 9.176 42 HA GLU 6 HA GLU 6 -1.704 21.688 9.271 43 HB2 GLU 6 2HB GLU 6 -2.819 24.199 9.383 44 HB3 GLU 6 1HB GLU 6 -3.306 23.642 7.782 45 HG2 GLU 6 2HG GLU 6 -5.009 22.879 9.262 46 HG3 GLU 6 1HG GLU 6 -4.018 21.464 8.915 47 H LEU 7 H LEU 7 -0.624 23.842 6.706 48 HA LEU 7 HA LEU 7 -1.600 22.357 4.506 49 HB2 LEU 7 2HB LEU 7 -0.667 24.729 4.493 50 HB3 LEU 7 1HB LEU 7 0.937 23.994 4.513 51 HG LEU 7 HG LEU 7 -0.364 22.573 2.526 52 HD11 LEU 7 1HD1 LEU 7 -1.480 24.180 1.106 53 HD12 LEU 7 2HD1 LEU 7 -1.071 25.503 2.200 54 HD13 LEU 7 3HD1 LEU 7 -2.226 24.268 2.702 55 HD21 LEU 7 3HD2 LEU 7 1.430 25.011 2.433 56 HD22 LEU 7 1HD2 LEU 7 1.013 24.081 0.996 57 HD23 LEU 7 2HD2 LEU 7 1.906 23.317 2.310 58 H ILE 8 H ILE 8 1.454 22.233 6.307 59 HA ILE 8 HA ILE 8 2.719 20.300 4.655 60 HB ILE 8 HB ILE 8 3.138 21.167 7.510 61 HG12 ILE 8 2HG1 ILE 8 5.058 21.373 5.203 62 HG13 ILE 8 1HG1 ILE 8 3.751 22.544 5.370 63 HG21 ILE 8 1HG2 ILE 8 3.851 18.898 7.556 64 HG22 ILE 8 2HG2 ILE 8 5.318 19.832 7.262 65 HG23 ILE 8 3HG2 ILE 8 4.522 18.998 5.927 66 HD11 ILE 8 3HD1 ILE 8 6.117 22.948 6.523 67 HD12 ILE 8 1HD1 ILE 8 5.408 21.937 7.783 68 HD13 ILE 8 2HD1 ILE 8 4.621 23.443 7.314 69 H THR 9 H THR 9 0.896 20.008 7.699 70 HA THR 9 HA THR 9 1.114 17.237 8.024 71 HB THR 9 HB THR 9 -1.143 19.106 8.788 72 HG1 THR 9 1HG THR 9 1.163 18.114 10.093 73 HG21 THR 9 3HG2 THR 9 -1.381 17.157 10.563 74 HG22 THR 9 1HG2 THR 9 -0.646 16.195 9.282 75 HG23 THR 9 2HG2 THR 9 -2.168 17.036 8.989 76 H LEU 10 H LEU 10 -1.283 19.160 6.239 77 HA LEU 10 HA LEU 10 -2.920 16.990 5.470 78 HB2 LEU 10 2HB LEU 10 -2.676 19.831 4.838 79 HB3 LEU 10 1HB LEU 10 -3.147 18.876 3.434 80 HG LEU 10 HG LEU 10 -5.105 19.672 4.777 81 HD11 LEU 10 1HD1 LEU 10 -4.563 17.068 3.783 82 HD12 LEU 10 2HD1 LEU 10 -6.140 17.828 3.997 83 HD13 LEU 10 3HD1 LEU 10 -5.444 16.859 5.295 84 HD21 LEU 10 3HD2 LEU 10 -3.516 19.000 6.941 85 HD22 LEU 10 1HD2 LEU 10 -4.677 17.673 6.891 86 HD23 LEU 10 2HD2 LEU 10 -5.245 19.337 7.021 87 H THR 11 H THR 11 -0.135 18.520 3.927 88 HA THR 11 HA THR 11 -0.233 17.142 1.482 89 HB THR 11 HB THR 11 2.212 18.109 2.989 90 HG1 THR 11 1HG THR 11 1.556 20.011 2.445 91 HG21 THR 11 3HG2 THR 11 3.206 18.236 0.725 92 HG22 THR 11 1HG2 THR 11 1.739 17.528 0.051 93 HG23 THR 11 2HG2 THR 11 2.757 16.583 1.138 94 H VAL 12 H VAL 12 1.452 16.350 4.517 95 HA VAL 12 HA VAL 12 2.684 13.985 3.616 96 HB VAL 12 HB VAL 12 1.781 14.760 6.401 97 HG11 VAL 12 1HG1 VAL 12 3.968 13.102 6.639 98 HG12 VAL 12 2HG1 VAL 12 3.089 12.362 5.301 99 HG13 VAL 12 3HG1 VAL 12 2.292 12.595 6.857 100 HG21 VAL 12 3HG2 VAL 12 4.550 14.883 5.182 101 HG22 VAL 12 1HG2 VAL 12 3.997 15.613 6.690 102 HG23 VAL 12 2HG2 VAL 12 3.440 16.254 5.143 103 H GLY 13 H GLY 13 -0.529 14.612 4.865 104 HA2 GLY 13 2HA GLY 13 -1.289 11.906 5.293 105 HA3 GLY 13 1HA GLY 13 -2.388 13.274 5.135 106 H PHE 14 H PHE 14 -1.703 14.153 2.587 107 HA PHE 14 HA PHE 14 -3.167 12.320 0.950 108 HB2 PHE 14 2HB PHE 14 -3.320 14.762 0.633 109 HB3 PHE 14 1HB PHE 14 -1.620 14.802 0.163 110 HD1 PHE 14 1HD PHE 14 -4.980 13.540 -0.779 111 HD2 PHE 14 2HD PHE 14 -0.901 14.086 -2.014 112 HE1 PHE 14 1HE PHE 14 -5.607 12.962 -3.108 113 HE2 PHE 14 2HE PHE 14 -1.530 13.510 -4.343 114 HZ PHE 14 HZ PHE 14 -3.883 12.947 -4.889 115 H GLY 15 H GLY 15 0.209 13.081 1.472 116 HA2 GLY 15 2HA GLY 15 1.209 11.710 -0.855 117 HA3 GLY 15 1HA GLY 15 2.158 12.215 0.541 118 H ILE 16 H ILE 16 0.612 10.837 2.519 119 HA ILE 16 HA ILE 16 1.858 8.260 2.393 120 HB ILE 16 HB ILE 16 -0.201 9.454 4.250 121 HG12 ILE 16 2HG1 ILE 16 2.617 8.597 4.887 122 HG13 ILE 16 1HG1 ILE 16 2.310 10.165 4.146 123 HG21 ILE 16 1HG2 ILE 16 -0.701 7.209 4.535 124 HG22 ILE 16 2HG2 ILE 16 0.657 7.366 5.650 125 HG23 ILE 16 3HG2 ILE 16 0.909 6.681 4.045 126 HD11 ILE 16 3HD1 ILE 16 0.848 10.806 5.977 127 HD12 ILE 16 1HD1 ILE 16 2.381 10.250 6.653 128 HD13 ILE 16 2HD1 ILE 16 0.968 9.194 6.683 129 H LEU 17 H LEU 17 -1.389 9.471 1.759 130 HA LEU 17 HA LEU 17 -2.667 6.944 1.530 131 HB2 LEU 17 2HB LEU 17 -3.326 9.735 1.040 132 HB3 LEU 17 1HB LEU 17 -3.994 8.691 -0.214 133 HG LEU 17 HG LEU 17 -5.549 8.967 1.713 134 HD11 LEU 17 1HD1 LEU 17 -4.859 6.157 2.098 135 HD12 LEU 17 2HD1 LEU 17 -4.816 6.614 0.396 136 HD13 LEU 17 3HD1 LEU 17 -6.286 6.860 1.338 137 HD21 LEU 17 3HD2 LEU 17 -4.894 8.653 3.870 138 HD22 LEU 17 1HD2 LEU 17 -3.258 8.825 3.234 139 HD23 LEU 17 2HD2 LEU 17 -3.950 7.218 3.468 140 H ILE 18 H ILE 18 -1.182 9.077 -0.881 141 HA ILE 18 HA ILE 18 -1.748 7.486 -3.131 142 HB ILE 18 HB ILE 18 0.441 9.485 -2.559 143 HG12 ILE 18 2HG1 ILE 18 -2.142 9.993 -2.892 144 HG13 ILE 18 1HG1 ILE 18 -0.923 11.021 -3.644 145 HG21 ILE 18 1HG2 ILE 18 -0.100 7.826 -5.019 146 HG22 ILE 18 2HG2 ILE 18 1.437 8.129 -4.212 147 HG23 ILE 18 3HG2 ILE 18 0.662 9.411 -5.141 148 HD11 ILE 18 3HD1 ILE 18 -2.060 8.621 -5.086 149 HD12 ILE 18 1HD1 ILE 18 -1.211 10.004 -5.770 150 HD13 ILE 18 2HD1 ILE 18 -2.847 10.194 -5.152 151 H PHE 19 H PHE 19 0.960 7.480 -0.863 152 HA PHE 19 HA PHE 19 2.597 5.638 -2.228 153 HB2 PHE 19 2HB PHE 19 3.419 6.997 -0.362 154 HB3 PHE 19 1HB PHE 19 2.346 6.142 0.748 155 HD1 PHE 19 1HD PHE 19 2.733 3.773 1.309 156 HD2 PHE 19 2HD PHE 19 5.421 5.945 -1.241 157 HE1 PHE 19 1HE PHE 19 4.438 1.995 1.594 158 HE2 PHE 19 2HE PHE 19 7.127 4.167 -0.957 159 HZ PHE 19 HZ PHE 19 6.635 2.192 0.460 160 H SER 20 H SER 20 0.131 5.154 0.292 161 HA SER 20 HA SER 20 0.419 2.335 0.437 162 HB2 SER 20 2HB SER 20 -1.820 2.413 1.539 163 HB3 SER 20 1HB SER 20 -0.665 3.550 2.232 164 HG SER 20 HG SER 20 -2.529 4.197 0.190 165 H LEU 21 H LEU 21 -1.707 4.441 -1.479 166 HA LEU 21 HA LEU 21 -3.365 2.520 -2.591 167 HB2 LEU 21 2HB LEU 21 -3.681 4.959 -2.855 168 HB3 LEU 21 1HB LEU 21 -2.271 5.021 -3.910 169 HG LEU 21 HG LEU 21 -4.235 2.981 -4.677 170 HD11 LEU 21 1HD1 LEU 21 -5.901 4.538 -4.009 171 HD12 LEU 21 2HD1 LEU 21 -5.704 4.803 -5.742 172 HD13 LEU 21 3HD1 LEU 21 -4.958 5.911 -4.587 173 HD21 LEU 21 3HD2 LEU 21 -3.122 5.297 -6.267 174 HD22 LEU 21 1HD2 LEU 21 -3.686 3.741 -6.874 175 HD23 LEU 21 2HD2 LEU 21 -2.185 3.841 -5.955 176 H ILE 22 H ILE 22 -0.151 3.625 -3.602 177 HA ILE 22 HA ILE 22 -0.014 2.125 -6.003 178 HB ILE 22 HB ILE 22 2.162 3.168 -4.179 179 HG12 ILE 22 2HG1 ILE 22 1.257 4.168 -6.891 180 HG13 ILE 22 1HG1 ILE 22 0.573 4.774 -5.384 181 HG21 ILE 22 1HG2 ILE 22 3.348 2.906 -6.593 182 HG22 ILE 22 2HG2 ILE 22 2.237 1.539 -6.667 183 HG23 ILE 22 3HG2 ILE 22 3.414 1.650 -5.357 184 HD11 ILE 22 3HD1 ILE 22 3.545 4.756 -5.956 185 HD12 ILE 22 1HD1 ILE 22 2.711 5.583 -4.640 186 HD13 ILE 22 2HD1 ILE 22 2.506 6.138 -6.302 187 H VAL 23 H VAL 23 0.964 1.407 -2.677 188 HA VAL 23 HA VAL 23 2.170 -1.106 -3.242 189 HB VAL 23 HB VAL 23 0.984 0.031 -0.701 190 HG11 VAL 23 1HG1 VAL 23 2.250 -2.610 -1.334 191 HG12 VAL 23 2HG1 VAL 23 0.942 -2.236 -0.209 192 HG13 VAL 23 3HG1 VAL 23 2.610 -1.855 0.219 193 HG21 VAL 23 3HG2 VAL 23 3.417 0.239 -0.117 194 HG22 VAL 23 1HG2 VAL 23 2.945 1.236 -1.495 195 HG23 VAL 23 2HG2 VAL 23 3.812 -0.278 -1.757 196 H THR 24 H THR 24 -1.072 -0.204 -2.079 197 HA THR 24 HA THR 24 -2.096 -2.824 -1.874 198 HB THR 24 HB THR 24 -3.476 -0.179 -2.357 199 HG1 THR 24 1HG THR 24 -3.609 -1.721 -0.030 200 HG21 THR 24 3HG2 THR 24 -5.220 -1.500 -2.983 201 HG22 THR 24 1HG2 THR 24 -5.356 -1.816 -1.254 202 HG23 THR 24 2HG2 THR 24 -4.496 -2.952 -2.293 203 H TYR 25 H TYR 25 -1.779 -0.615 -4.578 204 HA TYR 25 HA TYR 25 -3.508 -1.965 -6.379 205 HB2 TYR 25 2HB TYR 25 -2.717 0.337 -6.758 206 HB3 TYR 25 1HB TYR 25 -1.073 -0.264 -6.972 207 HD1 TYR 25 1HD TYR 25 -4.453 -0.104 -8.433 208 HD2 TYR 25 2HD TYR 25 -0.435 -1.527 -8.960 209 HE1 TYR 25 1HE TYR 25 -4.933 -0.570 -10.820 210 HE2 TYR 25 2HE TYR 25 -0.915 -1.995 -11.348 211 HH TYR 25 HH TYR 25 -4.040 -2.073 -12.613 212 H CYS 26 H CYS 26 0.022 -2.125 -5.905 213 HA CYS 26 HA CYS 26 0.521 -4.070 -7.886 214 HB2 CYS 26 2HB CYS 26 2.027 -3.350 -5.367 215 HB3 CYS 26 1HB CYS 26 2.633 -4.479 -6.577 216 HG CYS 26 HG CYS 26 3.349 -2.533 -7.919 217 H ILE 27 H ILE 27 -0.497 -4.310 -4.538 218 HA ILE 27 HA ILE 27 -0.036 -7.120 -4.268 219 HB ILE 27 HB ILE 27 -1.749 -5.159 -2.739 220 HG12 ILE 27 2HG1 ILE 27 0.722 -6.694 -1.896 221 HG13 ILE 27 1HG1 ILE 27 0.800 -5.092 -2.632 222 HG21 ILE 27 1HG2 ILE 27 -2.911 -7.071 -2.197 223 HG22 ILE 27 2HG2 ILE 27 -1.569 -7.254 -1.067 224 HG23 ILE 27 3HG2 ILE 27 -1.560 -8.132 -2.597 225 HD11 ILE 27 3HD1 ILE 27 -0.462 -4.116 -0.835 226 HD12 ILE 27 1HD1 ILE 27 0.798 -5.101 -0.095 227 HD13 ILE 27 2HD1 ILE 27 -0.858 -5.701 -0.174 228 H ASN 28 H ASN 28 -2.886 -5.152 -5.058 229 HA ASN 28 HA ASN 28 -4.815 -7.154 -5.155 230 HB2 ASN 28 2HB ASN 28 -4.469 -4.564 -6.638 231 HB3 ASN 28 1HB ASN 28 -5.819 -5.635 -7.014 232 HD21 ASN 28 1HD2 ASN 28 -4.799 -5.876 -3.736 233 HD22 ASN 28 2HD2 ASN 28 -6.013 -4.902 -3.057 234 H ALA 29 H ALA 29 -2.569 -6.075 -7.689 235 HA ALA 29 HA ALA 29 -3.530 -7.822 -9.707 236 HB1 ALA 29 1HB ALA 29 -2.125 -6.559 -10.908 237 HB2 ALA 29 2HB ALA 29 -0.761 -7.341 -10.108 238 HB3 ALA 29 3HB ALA 29 -1.459 -5.873 -9.426 239 H LYS 30 H LYS 30 -0.900 -8.098 -7.349 240 HA LYS 30 HA LYS 30 0.096 -10.589 -8.233 241 HB2 LYS 30 2HB LYS 30 0.164 -9.315 -5.490 242 HB3 LYS 30 1HB LYS 30 1.099 -10.736 -5.959 243 HG2 LYS 30 2HG LYS 30 1.336 -8.466 -7.825 244 HG3 LYS 30 1HG LYS 30 1.982 -8.150 -6.213 245 HD2 LYS 30 2HD LYS 30 3.383 -10.144 -6.339 246 HD3 LYS 30 1HD LYS 30 2.680 -10.571 -7.901 247 HE2 LYS 30 2HE LYS 30 4.226 -8.024 -7.337 248 HE3 LYS 30 1HE LYS 30 4.886 -9.447 -8.146 249 HZ1 LYS 30 3HZ LYS 30 2.605 -7.790 -9.076 250 HZ2 LYS 30 1HZ LYS 30 3.137 -9.211 -9.830 251 HZ3 LYS 30 2HZ LYS 30 4.155 -7.853 -9.769 252 H ALA 31 H ALA 31 -2.672 -9.720 -6.335 253 HA ALA 31 HA ALA 31 -3.070 -12.434 -5.353 254 HB1 ALA 31 1HB ALA 31 -4.295 -11.434 -3.764 255 HB2 ALA 31 2HB ALA 31 -5.339 -10.694 -4.977 256 HB3 ALA 31 3HB ALA 31 -3.857 -9.881 -4.478 257 H ASP 32 H ASP 32 -4.033 -10.434 -7.976 258 HA ASP 32 HA ASP 32 -6.374 -12.007 -8.644 259 HB2 ASP 32 2HB ASP 32 -4.976 -9.720 -10.028 260 HB3 ASP 32 1HB ASP 32 -6.383 -10.538 -10.702 261 H VAL 33 H VAL 33 -3.026 -12.061 -9.294 262 HA VAL 33 HA VAL 33 -3.114 -13.411 -11.819 263 HB VAL 33 HB VAL 33 -0.914 -13.261 -9.747 264 HG11 VAL 33 1HG1 VAL 33 -1.180 -14.643 -12.342 265 HG12 VAL 33 2HG1 VAL 33 -0.040 -14.928 -11.026 266 HG13 VAL 33 3HG1 VAL 33 0.265 -13.642 -12.194 267 HG21 VAL 33 3HG2 VAL 33 -0.626 -11.805 -12.272 268 HG22 VAL 33 1HG2 VAL 33 -0.389 -11.236 -10.619 269 HG23 VAL 33 2HG2 VAL 33 -2.005 -11.254 -11.326 270 H LEU 34 H LEU 34 -3.418 -14.378 -8.508 271 HA LEU 34 HA LEU 34 -3.063 -17.207 -9.188 272 HB2 LEU 34 2HB LEU 34 -3.287 -15.745 -6.570 273 HB3 LEU 34 1HB LEU 34 -3.354 -17.502 -6.681 274 HG LEU 34 HG LEU 34 -1.153 -17.502 -7.828 275 HD11 LEU 34 1HD1 LEU 34 -0.893 -15.462 -8.902 276 HD12 LEU 34 2HD1 LEU 34 0.084 -15.187 -7.462 277 HD13 LEU 34 3HD1 LEU 34 -1.556 -14.549 -7.550 278 HD21 LEU 34 3HD2 LEU 34 -0.626 -17.865 -5.644 279 HD22 LEU 34 1HD2 LEU 34 -1.646 -16.536 -5.088 280 HD23 LEU 34 2HD2 LEU 34 -0.019 -16.209 -5.690 281 H PHE 35 H PHE 35 -5.380 -15.174 -7.469 282 HA PHE 35 HA PHE 35 -7.464 -17.177 -7.647 283 HB2 PHE 35 2HB PHE 35 -7.341 -14.364 -6.606 284 HB3 PHE 35 1HB PHE 35 -8.870 -15.212 -6.769 285 HD1 PHE 35 1HD PHE 35 -9.259 -17.356 -5.531 286 HD2 PHE 35 2HD PHE 35 -5.773 -14.933 -4.876 287 HE1 PHE 35 1HE PHE 35 -8.812 -18.570 -3.415 288 HE2 PHE 35 2HE PHE 35 -5.327 -16.147 -2.760 289 HZ PHE 35 HZ PHE 35 -6.846 -17.966 -2.030 290 H ILE 36 H ILE 36 -6.313 -16.142 -10.130 291 HA ILE 36 HA ILE 36 -7.694 -14.325 -11.588 292 HB ILE 36 HB ILE 36 -6.977 -17.096 -12.559 293 HG12 ILE 36 2HG1 ILE 36 -5.383 -14.536 -12.789 294 HG13 ILE 36 1HG1 ILE 36 -5.155 -15.698 -11.484 295 HG21 ILE 36 1HG2 ILE 36 -8.296 -16.215 -14.268 296 HG22 ILE 36 2HG2 ILE 36 -6.702 -15.616 -14.724 297 HG23 ILE 36 3HG2 ILE 36 -7.841 -14.551 -13.901 298 HD11 ILE 36 3HD1 ILE 36 -4.377 -17.374 -12.928 299 HD12 ILE 36 1HD1 ILE 36 -3.669 -15.915 -13.623 300 HD13 ILE 36 2HD1 ILE 36 -5.115 -16.625 -14.342 301 H ALA 37 H ALA 37 -8.663 -17.521 -12.502 302 HA ALA 37 HA ALA 37 -11.444 -16.675 -12.486 303 HB1 ALA 37 1HB ALA 37 -11.502 -17.919 -14.349 304 HB2 ALA 37 2HB ALA 37 -11.239 -19.357 -13.363 305 HB3 ALA 37 3HB ALA 37 -9.862 -18.492 -14.049 306 HA PRO 38 HA PRO 38 -12.626 -18.952 -8.907 307 HB2 PRO 38 2HB PRO 38 -15.061 -19.971 -9.624 308 HB3 PRO 38 1HB PRO 38 -14.789 -18.255 -9.265 309 HG2 PRO 38 2HG PRO 38 -15.007 -19.625 -11.897 310 HG3 PRO 38 1HG PRO 38 -15.629 -18.045 -11.390 311 HD2 PRO 38 2HD PRO 38 -13.355 -18.340 -12.888 312 HD3 PRO 38 1HD PRO 38 -13.625 -16.978 -11.777 313 H ARG 39 H ARG 39 -12.634 -21.015 -7.978 314 HA ARG 39 HA ARG 39 -11.819 -23.185 -9.787 315 HB2 ARG 39 2HB ARG 39 -10.962 -24.278 -7.769 316 HB3 ARG 39 1HB ARG 39 -10.326 -22.638 -7.898 317 HG2 ARG 39 2HG ARG 39 -12.542 -22.100 -6.481 318 HG3 ARG 39 1HG ARG 39 -12.280 -23.762 -5.951 319 HD2 ARG 39 2HD ARG 39 -9.904 -23.148 -5.419 320 HD3 ARG 39 1HD ARG 39 -10.302 -21.473 -5.789 321 HE ARG 39 HE ARG 39 -12.114 -22.560 -3.865 322 HH11 ARG 39 1HH2 ARG 39 -8.906 -21.346 -4.327 323 HH12 ARG 39 2HH2 ARG 39 -8.728 -20.801 -2.693 324 HH21 ARG 39 1HH1 ARG 39 -11.889 -21.850 -1.719 325 HH22 ARG 39 2HH1 ARG 39 -10.417 -21.087 -1.216 326 H GLU 40 H GLU 40 -12.943 -25.049 -10.001 327 HA GLU 40 HA GLU 40 -15.581 -25.135 -8.720 328 HB2 GLU 40 2HB GLU 40 -15.384 -27.182 -10.648 329 HB3 GLU 40 1HB GLU 40 -16.273 -25.664 -10.785 330 HG2 GLU 40 2HG GLU 40 -14.242 -24.547 -11.629 331 HG3 GLU 40 1HG GLU 40 -13.352 -26.064 -11.490 332 HA PRO 41 HA PRO 41 -14.584 -28.657 -6.280 333 HB2 PRO 41 2HB PRO 41 -16.855 -30.176 -6.467 334 HB3 PRO 41 1HB PRO 41 -16.760 -28.674 -5.528 335 HG2 PRO 41 2HG PRO 41 -17.914 -29.146 -8.228 336 HG3 PRO 41 1HG PRO 41 -18.492 -28.107 -6.915 337 HD2 PRO 41 2HD PRO 41 -17.145 -27.151 -9.097 338 HD3 PRO 41 1HD PRO 41 -17.115 -26.363 -7.504 339 H GLY 42 H GLY 42 -13.040 -30.036 -6.975 340 HA2 GLY 42 2HA GLY 42 -12.604 -32.308 -7.729 341 HA3 GLY 42 1HA GLY 42 -13.780 -32.048 -9.015 342 H ALA 43 H ALA 43 -12.471 -29.200 -9.118 343 HA ALA 43 HA ALA 43 -11.093 -29.361 -11.453 344 HB1 ALA 43 1HB ALA 43 -9.909 -27.300 -10.795 345 HB2 ALA 43 2HB ALA 43 -10.395 -27.560 -9.121 346 HB3 ALA 43 3HB ALA 43 -11.615 -27.231 -10.351 347 H VAL 44 H VAL 44 -9.623 -30.898 -11.915 348 HA VAL 44 HA VAL 44 -7.749 -31.963 -10.065 349 HB VAL 44 HB VAL 44 -7.776 -31.993 -13.093 350 HG11 VAL 44 1HG1 VAL 44 -5.861 -32.996 -11.091 351 HG12 VAL 44 2HG1 VAL 44 -5.641 -32.723 -12.820 352 HG13 VAL 44 3HG1 VAL 44 -6.394 -34.213 -12.249 353 HG21 VAL 44 3HG2 VAL 44 -9.463 -33.462 -12.787 354 HG22 VAL 44 1HG2 VAL 44 -9.265 -33.407 -11.037 355 HG23 VAL 44 2HG2 VAL 44 -8.306 -34.531 -11.998 356 H SER 45 H SER 45 -5.974 -31.056 -9.288 357 HA SER 45 HA SER 45 -4.269 -29.432 -11.000 358 HB2 SER 45 2HB SER 45 -6.071 -28.266 -9.044 359 HB3 SER 45 1HB SER 45 -4.390 -27.893 -8.674 360 HG SER 45 HG SER 45 -4.387 -27.501 -11.134 361 H TYR 46 H TYR 46 -2.273 -30.145 -10.660 362 HA TYR 46 HA TYR 46 -1.427 -31.971 -8.810 363 HB2 TYR 46 2HB TYR 46 -0.101 -31.159 -10.763 364 HB3 TYR 46 1HB TYR 46 0.275 -29.696 -9.851 365 HD1 TYR 46 1HD TYR 46 1.737 -29.765 -7.893 366 HD2 TYR 46 2HD TYR 46 0.828 -33.326 -10.115 367 HE1 TYR 46 1HE TYR 46 3.590 -30.952 -6.749 368 HE2 TYR 46 2HE TYR 46 2.680 -34.514 -8.970 369 HH TYR 46 HH TYR 46 4.660 -32.876 -6.494 Start of MODEL 10 1 H ALA 1 1HT ALA 1 -3.117 31.871 12.144 2 HA ALA 1 HA ALA 1 -0.594 31.206 12.021 3 HB1 ALA 1 2HB ALA 1 -2.463 30.467 14.294 4 HB2 ALA 1 3HB ALA 1 -1.784 32.069 14.004 5 HB3 ALA 1 1HB ALA 1 -0.725 30.728 14.439 6 H SER 2 H SER 2 -2.848 28.762 13.328 7 HA SER 2 HA SER 2 -1.016 26.622 13.129 8 HB2 SER 2 2HB SER 2 -3.351 25.315 13.141 9 HB3 SER 2 1HB SER 2 -2.694 26.077 14.587 10 HG SER 2 HG SER 2 -4.548 27.092 14.537 11 H LYS 3 H LYS 3 -2.500 28.324 10.699 12 HA LYS 3 HA LYS 3 -3.328 26.358 8.872 13 HB2 LYS 3 2HB LYS 3 -1.975 28.902 8.006 14 HB3 LYS 3 1HB LYS 3 -3.332 28.058 7.258 15 HG2 LYS 3 2HG LYS 3 -4.522 28.549 9.560 16 HG3 LYS 3 1HG LYS 3 -3.306 29.820 9.688 17 HD2 LYS 3 2HD LYS 3 -5.322 29.448 7.457 18 HD3 LYS 3 1HD LYS 3 -5.261 30.769 8.624 19 HE2 LYS 3 2HE LYS 3 -2.806 31.063 7.664 20 HE3 LYS 3 1HE LYS 3 -3.498 30.246 6.262 21 HZ1 LYS 3 3HZ LYS 3 -4.454 32.136 5.674 22 HZ2 LYS 3 1HZ LYS 3 -3.789 32.922 7.022 23 HZ3 LYS 3 2HZ LYS 3 -5.314 32.184 7.139 24 H GLU 4 H GLU 4 -0.145 27.614 9.669 25 HA GLU 4 HA GLU 4 1.291 26.586 7.473 26 HB2 GLU 4 2HB GLU 4 1.902 27.691 10.109 27 HB3 GLU 4 1HB GLU 4 3.046 26.446 9.609 28 HG2 GLU 4 2HG GLU 4 3.710 28.728 8.844 29 HG3 GLU 4 1HG GLU 4 3.462 27.604 7.509 30 H LEU 5 H LEU 5 0.915 25.217 10.754 31 HA LEU 5 HA LEU 5 2.177 22.767 10.237 32 HB2 LEU 5 2HB LEU 5 -0.067 23.348 12.185 33 HB3 LEU 5 1HB LEU 5 1.008 21.951 12.236 34 HG LEU 5 HG LEU 5 1.926 24.837 12.401 35 HD11 LEU 5 1HD1 LEU 5 2.500 24.049 14.798 36 HD12 LEU 5 2HD1 LEU 5 1.356 22.741 14.497 37 HD13 LEU 5 3HD1 LEU 5 0.811 24.418 14.446 38 HD21 LEU 5 3HD2 LEU 5 3.283 22.162 12.371 39 HD22 LEU 5 1HD2 LEU 5 3.986 23.457 13.339 40 HD23 LEU 5 2HD2 LEU 5 3.774 23.671 11.603 41 H GLU 6 H GLU 6 -1.139 23.828 9.714 42 HA GLU 6 HA GLU 6 -2.270 21.287 9.184 43 HB2 GLU 6 2HB GLU 6 -3.480 23.504 9.627 44 HB3 GLU 6 1HB GLU 6 -3.191 23.868 7.926 45 HG2 GLU 6 2HG GLU 6 -4.317 21.741 7.305 46 HG3 GLU 6 1HG GLU 6 -4.660 21.447 9.009 47 H LEU 7 H LEU 7 -0.802 23.740 7.080 48 HA LEU 7 HA LEU 7 -1.324 22.470 4.620 49 HB2 LEU 7 2HB LEU 7 0.077 24.769 5.519 50 HB3 LEU 7 1HB LEU 7 1.189 23.837 4.514 51 HG LEU 7 HG LEU 7 -0.584 23.697 2.759 52 HD11 LEU 7 1HD1 LEU 7 -2.704 24.240 3.279 53 HD12 LEU 7 2HD1 LEU 7 -2.198 25.894 3.623 54 HD13 LEU 7 3HD1 LEU 7 -2.188 24.683 4.906 55 HD21 LEU 7 3HD2 LEU 7 1.154 25.466 2.698 56 HD22 LEU 7 1HD2 LEU 7 0.107 26.514 3.653 57 HD23 LEU 7 2HD2 LEU 7 -0.373 26.038 2.025 58 H ILE 8 H ILE 8 1.420 22.228 6.855 59 HA ILE 8 HA ILE 8 2.996 20.505 5.249 60 HB ILE 8 HB ILE 8 2.914 21.024 8.223 61 HG12 ILE 8 2HG1 ILE 8 5.191 21.630 6.367 62 HG13 ILE 8 1HG1 ILE 8 3.769 22.672 6.326 63 HG21 ILE 8 1HG2 ILE 8 3.880 18.931 8.299 64 HG22 ILE 8 2HG2 ILE 8 5.311 19.877 7.887 65 HG23 ILE 8 3HG2 ILE 8 4.433 19.011 6.626 66 HD11 ILE 8 3HD1 ILE 8 5.650 23.342 7.950 67 HD12 ILE 8 1HD1 ILE 8 5.139 21.961 8.922 68 HD13 ILE 8 2HD1 ILE 8 4.014 23.283 8.607 69 H THR 9 H THR 9 0.452 19.928 7.620 70 HA THR 9 HA THR 9 0.807 17.115 7.824 71 HB THR 9 HB THR 9 -1.699 18.757 8.263 72 HG1 THR 9 1HG THR 9 -0.663 19.436 9.935 73 HG21 THR 9 3HG2 THR 9 -0.869 15.965 9.079 74 HG22 THR 9 1HG2 THR 9 -2.267 16.429 8.110 75 HG23 THR 9 2HG2 THR 9 -2.213 16.828 9.827 76 H LEU 10 H LEU 10 -1.240 19.159 5.774 77 HA LEU 10 HA LEU 10 -2.709 17.122 4.520 78 HB2 LEU 10 2HB LEU 10 -2.360 19.939 4.225 79 HB3 LEU 10 1HB LEU 10 -2.208 19.195 2.634 80 HG LEU 10 HG LEU 10 -4.475 18.640 4.569 81 HD11 LEU 10 1HD1 LEU 10 -4.791 20.881 3.864 82 HD12 LEU 10 2HD1 LEU 10 -5.778 19.931 2.754 83 HD13 LEU 10 3HD1 LEU 10 -4.206 20.540 2.236 84 HD21 LEU 10 3HD2 LEU 10 -4.976 18.094 1.776 85 HD22 LEU 10 1HD2 LEU 10 -5.041 16.984 3.147 86 HD23 LEU 10 2HD2 LEU 10 -3.518 17.249 2.297 87 H THR 11 H THR 11 0.406 18.596 3.676 88 HA THR 11 HA THR 11 0.822 17.288 1.228 89 HB THR 11 HB THR 11 2.839 18.197 3.295 90 HG1 THR 11 1HG THR 11 1.476 19.814 2.414 91 HG21 THR 11 3HG2 THR 11 4.032 18.338 0.820 92 HG22 THR 11 1HG2 THR 11 3.103 16.844 0.699 93 HG23 THR 11 2HG2 THR 11 4.287 17.042 1.989 94 H VAL 12 H VAL 12 1.855 16.359 4.513 95 HA VAL 12 HA VAL 12 3.083 13.924 3.750 96 HB VAL 12 HB VAL 12 1.940 14.877 6.380 97 HG11 VAL 12 1HG1 VAL 12 1.860 12.519 6.571 98 HG12 VAL 12 2HG1 VAL 12 3.423 12.953 7.263 99 HG13 VAL 12 3HG1 VAL 12 3.333 12.308 5.624 100 HG21 VAL 12 3HG2 VAL 12 3.916 16.090 5.550 101 HG22 VAL 12 1HG2 VAL 12 4.766 14.562 5.317 102 HG23 VAL 12 2HG2 VAL 12 4.347 15.098 6.944 103 H GLY 13 H GLY 13 -0.221 14.796 4.551 104 HA2 GLY 13 2HA GLY 13 -1.202 12.127 4.848 105 HA3 GLY 13 1HA GLY 13 -2.178 13.572 4.599 106 H PHE 14 H PHE 14 -1.214 14.470 2.169 107 HA PHE 14 HA PHE 14 -2.580 12.758 0.340 108 HB2 PHE 14 2HB PHE 14 -2.533 15.195 0.050 109 HB3 PHE 14 1HB PHE 14 -0.787 15.140 -0.192 110 HD1 PHE 14 1HD PHE 14 -4.073 14.301 -1.641 111 HD2 PHE 14 2HD PHE 14 0.182 14.235 -2.237 112 HE1 PHE 14 1HE PHE 14 -4.418 13.811 -4.046 113 HE2 PHE 14 2HE PHE 14 -0.164 13.744 -4.644 114 HZ PHE 14 HZ PHE 14 -2.463 13.534 -5.548 115 H GLY 15 H GLY 15 0.782 13.261 1.195 116 HA2 GLY 15 2HA GLY 15 1.913 11.874 -1.031 117 HA3 GLY 15 1HA GLY 15 2.730 12.248 0.484 118 H ILE 16 H ILE 16 0.863 10.918 2.205 119 HA ILE 16 HA ILE 16 1.904 8.259 2.066 120 HB ILE 16 HB ILE 16 -0.181 9.565 3.819 121 HG12 ILE 16 2HG1 ILE 16 2.503 8.432 4.604 122 HG13 ILE 16 1HG1 ILE 16 2.369 10.064 3.948 123 HG21 ILE 16 1HG2 ILE 16 -0.871 7.317 3.847 124 HG22 ILE 16 2HG2 ILE 16 0.253 7.400 5.203 125 HG23 ILE 16 3HG2 ILE 16 0.775 6.713 3.665 126 HD11 ILE 16 3HD1 ILE 16 0.738 10.639 5.714 127 HD12 ILE 16 1HD1 ILE 16 2.268 10.106 6.410 128 HD13 ILE 16 2HD1 ILE 16 0.887 9.012 6.376 129 H LEU 17 H LEU 17 -1.185 9.767 1.272 130 HA LEU 17 HA LEU 17 -2.668 7.394 0.864 131 HB2 LEU 17 2HB LEU 17 -3.136 10.163 0.680 132 HB3 LEU 17 1HB LEU 17 -3.490 9.508 -0.921 133 HG LEU 17 HG LEU 17 -4.595 8.430 1.689 134 HD11 LEU 17 1HD1 LEU 17 -5.792 10.161 -0.487 135 HD12 LEU 17 2HD1 LEU 17 -5.641 10.543 1.228 136 HD13 LEU 17 3HD1 LEU 17 -6.769 9.295 0.698 137 HD21 LEU 17 3HD2 LEU 17 -6.079 7.580 -0.566 138 HD22 LEU 17 1HD2 LEU 17 -5.056 6.587 0.473 139 HD23 LEU 17 2HD2 LEU 17 -4.383 7.334 -0.977 140 H ILE 18 H ILE 18 -0.725 9.397 -1.327 141 HA ILE 18 HA ILE 18 -1.307 7.987 -3.703 142 HB ILE 18 HB ILE 18 1.135 9.589 -2.908 143 HG12 ILE 18 2HG1 ILE 18 -1.335 10.550 -3.134 144 HG13 ILE 18 1HG1 ILE 18 0.041 11.437 -3.790 145 HG21 ILE 18 1HG2 ILE 18 1.870 8.273 -4.722 146 HG22 ILE 18 2HG2 ILE 18 1.297 9.750 -5.497 147 HG23 ILE 18 3HG2 ILE 18 0.288 8.304 -5.502 148 HD11 ILE 18 3HD1 ILE 18 -1.471 9.421 -5.451 149 HD12 ILE 18 1HD1 ILE 18 -0.399 10.709 -6.002 150 HD13 ILE 18 2HD1 ILE 18 -1.988 11.104 -5.345 151 H PHE 19 H PHE 19 1.255 7.592 -1.280 152 HA PHE 19 HA PHE 19 2.661 5.535 -2.631 153 HB2 PHE 19 2HB PHE 19 3.058 7.013 -0.335 154 HB3 PHE 19 1HB PHE 19 2.749 5.393 0.292 155 HD1 PHE 19 2HD PHE 19 4.639 7.041 -2.507 156 HD2 PHE 19 1HD PHE 19 4.559 3.941 0.465 157 HE1 PHE 19 2HE PHE 19 6.925 6.346 -3.170 158 HE2 PHE 19 1HE PHE 19 6.846 3.246 -0.198 159 HZ PHE 19 HZ PHE 19 8.029 4.448 -2.015 160 H SER 20 H SER 20 0.048 5.495 -0.239 161 HA SER 20 HA SER 20 -0.010 2.669 0.092 162 HB2 SER 20 2HB SER 20 -2.389 4.475 0.460 163 HB3 SER 20 1HB SER 20 -1.977 3.007 1.341 164 HG SER 20 HG SER 20 -1.434 5.417 2.071 165 H LEU 21 H LEU 21 -1.666 4.913 -2.075 166 HA LEU 21 HA LEU 21 -3.540 3.126 -3.172 167 HB2 LEU 21 2HB LEU 21 -3.698 5.522 -3.559 168 HB3 LEU 21 1HB LEU 21 -2.163 5.511 -4.430 169 HG LEU 21 HG LEU 21 -4.071 3.544 -5.466 170 HD11 LEU 21 1HD1 LEU 21 -5.722 5.223 -4.824 171 HD12 LEU 21 2HD1 LEU 21 -5.504 5.269 -6.574 172 HD13 LEU 21 3HD1 LEU 21 -4.752 6.500 -5.560 173 HD21 LEU 21 3HD2 LEU 21 -1.966 4.235 -6.581 174 HD22 LEU 21 1HD2 LEU 21 -2.587 5.882 -6.715 175 HD23 LEU 21 2HD2 LEU 21 -3.369 4.570 -7.596 176 H ILE 22 H ILE 22 -0.183 3.833 -4.053 177 HA ILE 22 HA ILE 22 -0.159 2.198 -6.392 178 HB ILE 22 HB ILE 22 2.084 3.233 -4.643 179 HG12 ILE 22 2HG1 ILE 22 1.177 4.124 -7.395 180 HG13 ILE 22 1HG1 ILE 22 0.601 4.874 -5.906 181 HG21 ILE 22 1HG2 ILE 22 2.074 1.695 -7.243 182 HG22 ILE 22 2HG2 ILE 22 3.000 1.362 -5.778 183 HG23 ILE 22 3HG2 ILE 22 3.421 2.742 -6.793 184 HD11 ILE 22 3HD1 ILE 22 3.550 4.569 -6.461 185 HD12 ILE 22 1HD1 ILE 22 2.755 5.662 -5.330 186 HD13 ILE 22 2HD1 ILE 22 2.643 5.956 -7.064 187 H VAL 23 H VAL 23 0.697 1.669 -3.001 188 HA VAL 23 HA VAL 23 1.791 -0.935 -3.365 189 HB VAL 23 HB VAL 23 0.583 0.365 -0.910 190 HG11 VAL 23 1HG1 VAL 23 1.709 -2.306 -1.441 191 HG12 VAL 23 2HG1 VAL 23 0.699 -1.756 -0.104 192 HG13 VAL 23 3HG1 VAL 23 2.440 -1.477 -0.067 193 HG21 VAL 23 3HG2 VAL 23 2.606 1.358 -0.575 194 HG22 VAL 23 1HG2 VAL 23 2.834 1.101 -2.304 195 HG23 VAL 23 2HG2 VAL 23 3.495 -0.053 -1.147 196 H THR 24 H THR 24 -1.431 0.251 -2.460 197 HA THR 24 HA THR 24 -2.609 -2.286 -2.030 198 HB THR 24 HB THR 24 -3.863 0.338 -2.870 199 HG1 THR 24 1HG THR 24 -4.054 -0.808 -0.333 200 HG21 THR 24 3HG2 THR 24 -5.663 -0.988 -3.267 201 HG22 THR 24 1HG2 THR 24 -5.771 -1.081 -1.509 202 HG23 THR 24 2HG2 THR 24 -4.958 -2.360 -2.412 203 H TYR 25 H TYR 25 -2.046 -0.372 -4.912 204 HA TYR 25 HA TYR 25 -3.774 -1.845 -6.641 205 HB2 TYR 25 2HB TYR 25 -3.064 0.379 -7.271 206 HB3 TYR 25 1HB TYR 25 -1.368 -0.103 -7.218 207 HD1 TYR 25 2HD TYR 25 -4.603 -1.085 -8.847 208 HD2 TYR 25 1HD TYR 25 -0.330 -0.803 -9.189 209 HE1 TYR 25 2HE TYR 25 -4.741 -1.841 -11.205 210 HE2 TYR 25 1HE TYR 25 -0.469 -1.558 -11.546 211 HH TYR 25 HH TYR 25 -3.610 -2.366 -13.035 212 H CYS 26 H CYS 26 -0.303 -2.022 -5.907 213 HA CYS 26 HA CYS 26 0.330 -4.063 -7.755 214 HB2 CYS 26 2HB CYS 26 1.616 -3.164 -5.176 215 HB3 CYS 26 1HB CYS 26 2.286 -4.465 -6.163 216 HG CYS 26 HG CYS 26 2.623 -2.767 -8.112 217 H ILE 27 H ILE 27 -1.050 -4.117 -4.540 218 HA ILE 27 HA ILE 27 -0.666 -6.935 -4.116 219 HB ILE 27 HB ILE 27 -2.394 -4.861 -2.758 220 HG12 ILE 27 2HG1 ILE 27 -0.049 -6.425 -1.665 221 HG13 ILE 27 1HG1 ILE 27 0.176 -4.911 -2.542 222 HG21 ILE 27 1HG2 ILE 27 -3.614 -6.819 -2.351 223 HG22 ILE 27 2HG2 ILE 27 -2.497 -6.785 -0.986 224 HG23 ILE 27 3HG2 ILE 27 -2.173 -7.835 -2.365 225 HD11 ILE 27 3HD1 ILE 27 -0.048 -4.802 0.045 226 HD12 ILE 27 1HD1 ILE 27 -1.766 -5.080 -0.244 227 HD13 ILE 27 2HD1 ILE 27 -0.976 -3.654 -0.918 228 H ASN 28 H ASN 28 -3.388 -4.883 -5.122 229 HA ASN 28 HA ASN 28 -5.342 -6.890 -5.294 230 HB2 ASN 28 2HB ASN 28 -4.976 -4.260 -6.715 231 HB3 ASN 28 1HB ASN 28 -6.353 -5.306 -7.053 232 HD21 ASN 28 1HD2 ASN 28 -7.068 -2.909 -5.988 233 HD22 ASN 28 2HD2 ASN 28 -7.466 -3.050 -4.344 234 H ALA 29 H ALA 29 -2.831 -5.885 -7.545 235 HA ALA 29 HA ALA 29 -3.805 -7.486 -9.729 236 HB1 ALA 29 1HB ALA 29 -1.022 -6.370 -9.348 237 HB2 ALA 29 2HB ALA 29 -2.372 -5.430 -9.983 238 HB3 ALA 29 3HB ALA 29 -1.788 -6.841 -10.864 239 H LYS 30 H LYS 30 -1.084 -7.770 -7.443 240 HA LYS 30 HA LYS 30 -0.136 -10.258 -8.351 241 HB2 LYS 30 2HB LYS 30 0.037 -8.856 -5.686 242 HB3 LYS 30 1HB LYS 30 0.798 -10.422 -5.974 243 HG2 LYS 30 2HG LYS 30 2.207 -9.541 -7.678 244 HG3 LYS 30 1HG LYS 30 1.268 -8.053 -7.790 245 HD2 LYS 30 2HD LYS 30 3.455 -7.847 -6.515 246 HD3 LYS 30 1HD LYS 30 2.023 -7.315 -5.633 247 HE2 LYS 30 2HE LYS 30 1.977 -9.261 -4.296 248 HE3 LYS 30 1HE LYS 30 3.032 -10.147 -5.398 249 HZ1 LYS 30 3HZ LYS 30 3.753 -7.935 -3.568 250 HZ2 LYS 30 1HZ LYS 30 4.769 -8.434 -4.830 251 HZ3 LYS 30 2HZ LYS 30 4.364 -9.520 -3.588 252 H ALA 31 H ALA 31 -2.931 -9.422 -6.531 253 HA ALA 31 HA ALA 31 -3.326 -11.810 -5.074 254 HB1 ALA 31 1HB ALA 31 -5.483 -10.024 -6.217 255 HB2 ALA 31 2HB ALA 31 -4.576 -9.646 -4.752 256 HB3 ALA 31 3HB ALA 31 -5.601 -11.081 -4.809 257 H ASP 32 H ASP 32 -3.371 -11.218 -8.406 258 HA ASP 32 HA ASP 32 -5.396 -12.886 -9.360 259 HB2 ASP 32 2HB ASP 32 -2.682 -12.184 -10.477 260 HB3 ASP 32 1HB ASP 32 -3.841 -13.177 -11.360 261 H VAL 33 H VAL 33 -2.174 -13.651 -8.164 262 HA VAL 33 HA VAL 33 -2.136 -16.369 -9.007 263 HB VAL 33 HB VAL 33 -0.681 -15.189 -6.635 264 HG11 VAL 33 1HG1 VAL 33 1.005 -16.910 -7.285 265 HG12 VAL 33 2HG1 VAL 33 -0.105 -17.490 -8.525 266 HG13 VAL 33 3HG1 VAL 33 -0.541 -17.620 -6.821 267 HG21 VAL 33 3HG2 VAL 33 -0.139 -13.707 -8.395 268 HG22 VAL 33 1HG2 VAL 33 -0.172 -14.992 -9.603 269 HG23 VAL 33 2HG2 VAL 33 1.154 -14.903 -8.447 270 H LEU 34 H LEU 34 -3.553 -14.704 -6.302 271 HA LEU 34 HA LEU 34 -3.973 -17.101 -4.734 272 HB2 LEU 34 2HB LEU 34 -4.858 -14.232 -4.465 273 HB3 LEU 34 1HB LEU 34 -5.460 -15.495 -3.390 274 HG LEU 34 HG LEU 34 -3.458 -14.324 -2.465 275 HD11 LEU 34 1HD1 LEU 34 -4.035 -17.002 -2.452 276 HD12 LEU 34 2HD1 LEU 34 -2.754 -16.259 -1.493 277 HD13 LEU 34 3HD1 LEU 34 -2.373 -17.008 -3.043 278 HD21 LEU 34 3HD2 LEU 34 -2.483 -14.073 -4.868 279 HD22 LEU 34 1HD2 LEU 34 -1.855 -15.702 -4.615 280 HD23 LEU 34 2HD2 LEU 34 -1.364 -14.391 -3.543 281 H PHE 35 H PHE 35 -5.762 -15.156 -7.037 282 HA PHE 35 HA PHE 35 -8.289 -16.460 -6.521 283 HB2 PHE 35 2HB PHE 35 -7.311 -14.504 -8.592 284 HB3 PHE 35 1HB PHE 35 -8.905 -15.249 -8.709 285 HD1 PHE 35 2HD PHE 35 -10.327 -15.203 -6.468 286 HD2 PHE 35 1HD PHE 35 -7.095 -12.524 -7.375 287 HE1 PHE 35 2HE PHE 35 -11.213 -13.575 -4.819 288 HE2 PHE 35 1HE PHE 35 -7.980 -10.897 -5.726 289 HZ PHE 35 HZ PHE 35 -10.039 -11.423 -4.449 290 H ILE 36 H ILE 36 -5.493 -17.105 -8.398 291 HA ILE 36 HA ILE 36 -6.931 -18.945 -10.179 292 HB ILE 36 HB ILE 36 -4.029 -18.084 -10.118 293 HG12 ILE 36 2HG1 ILE 36 -6.111 -17.485 -12.224 294 HG13 ILE 36 1HG1 ILE 36 -5.896 -16.436 -10.822 295 HG21 ILE 36 1HG2 ILE 36 -3.857 -20.129 -11.171 296 HG22 ILE 36 2HG2 ILE 36 -4.355 -19.153 -12.552 297 HG23 ILE 36 3HG2 ILE 36 -5.544 -20.124 -11.685 298 HD11 ILE 36 3HD1 ILE 36 -3.438 -16.307 -11.420 299 HD12 ILE 36 1HD1 ILE 36 -4.520 -15.542 -12.581 300 HD13 ILE 36 2HD1 ILE 36 -3.834 -17.129 -12.928 301 H ALA 37 H ALA 37 -3.799 -19.191 -8.497 302 HA ALA 37 HA ALA 37 -4.187 -22.036 -8.115 303 HB1 ALA 37 1HB ALA 37 -1.943 -21.078 -6.646 304 HB2 ALA 37 2HB ALA 37 -1.970 -20.241 -8.197 305 HB3 ALA 37 3HB ALA 37 -1.949 -22.004 -8.148 306 HA PRO 38 HA PRO 38 -5.768 -21.994 -4.025 307 HB2 PRO 38 2HB PRO 38 -4.390 -24.066 -2.864 308 HB3 PRO 38 1HB PRO 38 -5.712 -24.290 -4.025 309 HG2 PRO 38 2HG PRO 38 -2.771 -24.428 -4.454 310 HG3 PRO 38 1HG PRO 38 -4.064 -25.425 -5.143 311 HD2 PRO 38 2HD PRO 38 -2.861 -23.410 -6.534 312 HD3 PRO 38 1HD PRO 38 -4.547 -23.898 -6.807 313 H ARG 39 H ARG 39 -4.725 -22.489 -1.593 314 HA ARG 39 HA ARG 39 -2.792 -20.307 -1.258 315 HB2 ARG 39 2HB ARG 39 -4.323 -21.803 0.877 316 HB3 ARG 39 1HB ARG 39 -3.473 -20.266 1.048 317 HG2 ARG 39 2HG ARG 39 -5.022 -19.248 -0.605 318 HG3 ARG 39 1HG ARG 39 -5.897 -20.778 -0.704 319 HD2 ARG 39 2HD ARG 39 -5.592 -19.004 1.731 320 HD3 ARG 39 1HD ARG 39 -7.076 -19.357 0.852 321 HE ARG 39 HE ARG 39 -5.960 -21.786 1.752 322 HH11 ARG 39 1HH2 ARG 39 -7.425 -18.880 2.928 323 HH12 ARG 39 2HH2 ARG 39 -8.098 -19.627 4.340 324 HH21 ARG 39 1HH1 ARG 39 -6.839 -22.772 3.600 325 HH22 ARG 39 2HH1 ARG 39 -7.766 -21.830 4.720 326 H GLU 40 H GLU 40 -0.707 -20.766 -1.044 327 HA GLU 40 HA GLU 40 0.066 -23.455 -0.103 328 HB2 GLU 40 2HB GLU 40 2.297 -22.009 -1.131 329 HB3 GLU 40 1HB GLU 40 1.519 -23.442 -1.804 330 HG2 GLU 40 2HG GLU 40 -0.154 -21.997 -2.920 331 HG3 GLU 40 1HG GLU 40 0.661 -20.573 -2.276 332 HA PRO 41 HA PRO 41 1.939 -22.350 3.694 333 HB2 PRO 41 2HB PRO 41 4.618 -22.780 2.436 334 HB3 PRO 41 1HB PRO 41 3.960 -23.443 3.944 335 HG2 PRO 41 2HG PRO 41 4.123 -24.844 1.624 336 HG3 PRO 41 1HG PRO 41 2.923 -25.158 2.887 337 HD2 PRO 41 2HD PRO 41 2.499 -24.092 0.198 338 HD3 PRO 41 1HD PRO 41 1.301 -24.672 1.375 339 H GLY 42 H GLY 42 1.750 -20.211 4.133 340 HA2 GLY 42 2HA GLY 42 3.156 -18.217 4.531 341 HA3 GLY 42 1HA GLY 42 3.681 -18.362 2.857 342 H ALA 43 H ALA 43 0.853 -19.151 2.113 343 HA ALA 43 HA ALA 43 -0.059 -16.696 1.172 344 HB1 ALA 43 1HB ALA 43 -1.416 -19.334 1.659 345 HB2 ALA 43 2HB ALA 43 -0.988 -18.574 0.126 346 HB3 ALA 43 3HB ALA 43 -2.333 -17.945 1.077 347 H VAL 44 H VAL 44 -1.574 -15.211 1.873 348 HA VAL 44 HA VAL 44 -2.045 -15.196 4.770 349 HB VAL 44 HB VAL 44 -2.406 -13.028 2.687 350 HG11 VAL 44 1HG1 VAL 44 -3.308 -13.300 5.440 351 HG12 VAL 44 2HG1 VAL 44 -3.676 -12.036 4.266 352 HG13 VAL 44 3HG1 VAL 44 -2.220 -11.925 5.254 353 HG21 VAL 44 3HG2 VAL 44 -0.448 -12.508 4.737 354 HG22 VAL 44 1HG2 VAL 44 -0.216 -12.593 2.990 355 HG23 VAL 44 2HG2 VAL 44 -0.090 -14.055 3.968 356 H SER 45 H SER 45 -3.975 -15.646 5.613 357 HA SER 45 HA SER 45 -6.146 -16.569 4.090 358 HB2 SER 45 2HB SER 45 -7.434 -16.321 6.240 359 HB3 SER 45 1HB SER 45 -5.938 -17.238 6.388 360 HG SER 45 HG SER 45 -5.047 -15.000 6.882 361 H TYR 46 H TYR 46 -7.217 -15.346 2.665 362 HA TYR 46 HA TYR 46 -7.569 -12.502 3.040 363 HB2 TYR 46 2HB TYR 46 -7.453 -14.119 0.836 364 HB3 TYR 46 1HB TYR 46 -9.187 -13.835 0.973 365 HD1 TYR 46 2HD TYR 46 -10.091 -11.521 0.941 366 HD2 TYR 46 1HD TYR 46 -5.926 -12.335 0.285 367 HE1 TYR 46 2HE TYR 46 -9.793 -9.242 0.010 368 HE2 TYR 46 1HE TYR 46 -5.626 -10.056 -0.647 369 HH TYR 46 HH TYR 46 -7.914 -8.219 -1.775 Start of MODEL 11 1 H ALA 1 1HT ALA 1 1.006 30.400 12.131 2 HA ALA 1 HA ALA 1 3.035 29.451 10.519 3 HB1 ALA 1 2HB ALA 1 3.735 29.409 13.353 4 HB2 ALA 1 3HB ALA 1 4.729 29.018 11.949 5 HB3 ALA 1 1HB ALA 1 3.681 27.789 12.660 6 H SER 2 H SER 2 0.248 29.383 12.335 7 HA SER 2 HA SER 2 -0.447 26.705 12.598 8 HB2 SER 2 2HB SER 2 -1.820 28.552 13.466 9 HB3 SER 2 1HB SER 2 -2.244 29.016 11.821 10 HG SER 2 HG SER 2 -2.654 26.374 12.259 11 H LYS 3 H LYS 3 -1.089 28.854 9.820 12 HA LYS 3 HA LYS 3 -2.236 26.885 8.166 13 HB2 LYS 3 2HB LYS 3 -2.147 29.479 7.906 14 HB3 LYS 3 1HB LYS 3 -0.638 29.169 7.050 15 HG2 LYS 3 2HG LYS 3 -2.037 28.956 5.251 16 HG3 LYS 3 1HG LYS 3 -2.219 27.315 5.869 17 HD2 LYS 3 2HD LYS 3 -4.176 28.121 7.230 18 HD3 LYS 3 1HD LYS 3 -4.042 29.676 6.409 19 HE2 LYS 3 2HE LYS 3 -5.354 28.821 4.787 20 HE3 LYS 3 1HE LYS 3 -3.996 27.787 4.344 21 HZ1 LYS 3 3HZ LYS 3 -5.287 26.709 6.597 22 HZ2 LYS 3 1HZ LYS 3 -5.116 26.032 5.051 23 HZ3 LYS 3 2HZ LYS 3 -6.453 27.021 5.402 24 H GLU 4 H GLU 4 1.117 27.970 8.549 25 HA GLU 4 HA GLU 4 2.239 26.481 6.437 26 HB2 GLU 4 2HB GLU 4 3.240 28.320 8.084 27 HB3 GLU 4 1HB GLU 4 3.806 26.886 8.941 28 HG2 GLU 4 2HG GLU 4 5.550 27.373 7.419 29 HG3 GLU 4 1HG GLU 4 4.648 26.074 6.641 30 H LEU 5 H LEU 5 1.769 25.680 9.869 31 HA LEU 5 HA LEU 5 2.971 23.107 9.705 32 HB2 LEU 5 2HB LEU 5 1.092 24.396 11.682 33 HB3 LEU 5 1HB LEU 5 1.643 22.730 11.867 34 HG LEU 5 HG LEU 5 3.708 24.823 11.331 35 HD11 LEU 5 1HD1 LEU 5 3.837 25.345 13.748 36 HD12 LEU 5 2HD1 LEU 5 2.381 24.390 14.027 37 HD13 LEU 5 3HD1 LEU 5 2.298 25.864 13.062 38 HD21 LEU 5 3HD2 LEU 5 3.671 22.492 13.268 39 HD22 LEU 5 1HD2 LEU 5 5.080 23.349 12.641 40 HD23 LEU 5 2HD2 LEU 5 4.128 22.319 11.574 41 H GLU 6 H GLU 6 -0.393 24.235 9.548 42 HA GLU 6 HA GLU 6 -1.635 21.725 9.376 43 HB2 GLU 6 2HB GLU 6 -2.466 24.385 8.188 44 HB3 GLU 6 1HB GLU 6 -3.509 22.968 8.311 45 HG2 GLU 6 2HG GLU 6 -2.216 23.565 10.850 46 HG3 GLU 6 1HG GLU 6 -3.158 24.935 10.264 47 H LEU 7 H LEU 7 -0.247 23.826 6.888 48 HA LEU 7 HA LEU 7 -1.106 22.395 4.626 49 HB2 LEU 7 2HB LEU 7 0.792 24.511 5.225 50 HB3 LEU 7 1HB LEU 7 1.409 23.422 3.983 51 HG LEU 7 HG LEU 7 -1.380 24.598 3.904 52 HD11 LEU 7 1HD1 LEU 7 1.185 25.595 2.632 53 HD12 LEU 7 2HD1 LEU 7 0.192 26.449 3.812 54 HD13 LEU 7 3HD1 LEU 7 -0.427 26.154 2.187 55 HD21 LEU 7 3HD2 LEU 7 -0.139 22.525 2.478 56 HD22 LEU 7 1HD2 LEU 7 -0.075 23.913 1.393 57 HD23 LEU 7 2HD2 LEU 7 -1.623 23.361 2.029 58 H ILE 8 H ILE 8 1.846 22.106 6.584 59 HA ILE 8 HA ILE 8 3.160 20.158 5.074 60 HB ILE 8 HB ILE 8 3.166 20.737 8.038 61 HG12 ILE 8 2HG1 ILE 8 5.330 21.144 5.963 62 HG13 ILE 8 1HG1 ILE 8 4.103 22.368 6.291 63 HG21 ILE 8 1HG2 ILE 8 3.916 18.547 8.114 64 HG22 ILE 8 2HG2 ILE 8 5.431 19.368 7.733 65 HG23 ILE 8 3HG2 ILE 8 4.507 18.581 6.452 66 HD11 ILE 8 3HD1 ILE 8 5.343 21.291 8.723 67 HD12 ILE 8 1HD1 ILE 8 5.070 22.967 8.250 68 HD13 ILE 8 2HD1 ILE 8 6.489 22.105 7.659 69 H THR 9 H THR 9 0.935 19.724 7.834 70 HA THR 9 HA THR 9 0.954 16.916 7.855 71 HB THR 9 HB THR 9 -1.299 18.792 8.621 72 HG1 THR 9 1HG THR 9 1.108 18.078 9.756 73 HG21 THR 9 3HG2 THR 9 -1.778 16.818 10.207 74 HG22 THR 9 1HG2 THR 9 -0.744 15.871 9.136 75 HG23 THR 9 2HG2 THR 9 -2.217 16.613 8.512 76 H LEU 10 H LEU 10 -1.169 19.203 6.159 77 HA LEU 10 HA LEU 10 -2.910 17.331 5.011 78 HB2 LEU 10 2HB LEU 10 -2.211 20.150 4.592 79 HB3 LEU 10 1HB LEU 10 -2.751 19.336 3.125 80 HG LEU 10 HG LEU 10 -4.618 20.375 4.456 81 HD11 LEU 10 1HD1 LEU 10 -4.464 17.780 3.294 82 HD12 LEU 10 2HD1 LEU 10 -5.889 18.799 3.476 83 HD13 LEU 10 3HD1 LEU 10 -5.464 17.645 4.738 84 HD21 LEU 10 3HD2 LEU 10 -3.283 19.337 6.625 85 HD22 LEU 10 1HD2 LEU 10 -4.595 18.175 6.419 86 HD23 LEU 10 2HD2 LEU 10 -4.958 19.883 6.653 87 H THR 11 H THR 11 0.136 18.685 3.791 88 HA THR 11 HA THR 11 0.123 17.410 1.289 89 HB THR 11 HB THR 11 2.485 18.186 3.017 90 HG1 THR 11 1HG THR 11 1.870 20.109 2.507 91 HG21 THR 11 3HG2 THR 11 2.201 17.127 0.251 92 HG22 THR 11 1HG2 THR 11 3.529 16.942 1.397 93 HG23 THR 11 2HG2 THR 11 3.352 18.442 0.486 94 H VAL 12 H VAL 12 1.738 16.438 4.321 95 HA VAL 12 HA VAL 12 2.705 13.967 3.388 96 HB VAL 12 HB VAL 12 1.953 14.849 6.186 97 HG11 VAL 12 1HG1 VAL 12 2.081 12.571 6.510 98 HG12 VAL 12 2HG1 VAL 12 3.802 12.948 6.579 99 HG13 VAL 12 3HG1 VAL 12 3.097 12.319 5.090 100 HG21 VAL 12 3HG2 VAL 12 4.773 14.487 5.392 101 HG22 VAL 12 1HG2 VAL 12 4.021 15.793 6.308 102 HG23 VAL 12 2HG2 VAL 12 3.943 15.794 4.546 103 H GLY 13 H GLY 13 -0.439 14.956 4.479 104 HA2 GLY 13 2HA GLY 13 -1.476 12.365 5.062 105 HA3 GLY 13 1HA GLY 13 -2.422 13.821 4.774 106 H PHE 14 H PHE 14 -1.796 14.521 2.267 107 HA PHE 14 HA PHE 14 -3.323 12.735 0.686 108 HB2 PHE 14 2HB PHE 14 -3.299 15.126 0.196 109 HB3 PHE 14 1HB PHE 14 -1.567 15.064 -0.135 110 HD1 PHE 14 1HD PHE 14 -4.839 13.621 -1.231 111 HD2 PHE 14 2HD PHE 14 -0.777 14.534 -2.289 112 HE1 PHE 14 1HE PHE 14 -5.306 12.975 -3.579 113 HE2 PHE 14 2HE PHE 14 -1.245 13.887 -4.637 114 HZ PHE 14 HZ PHE 14 -3.509 13.108 -5.282 115 H GLY 15 H GLY 15 0.092 13.222 1.214 116 HA2 GLY 15 2HA GLY 15 0.962 11.631 -1.024 117 HA3 GLY 15 1HA GLY 15 1.961 12.170 0.323 118 H ILE 16 H ILE 16 0.385 11.061 2.416 119 HA ILE 16 HA ILE 16 1.466 8.438 2.505 120 HB ILE 16 HB ILE 16 -0.568 9.878 4.202 121 HG12 ILE 16 2HG1 ILE 16 2.068 10.272 4.084 122 HG13 ILE 16 1HG1 ILE 16 1.212 10.310 5.626 123 HG21 ILE 16 1HG2 ILE 16 -0.128 7.903 5.808 124 HG22 ILE 16 2HG2 ILE 16 0.425 7.030 4.376 125 HG23 ILE 16 3HG2 ILE 16 -1.233 7.624 4.464 126 HD11 ILE 16 3HD1 ILE 16 3.348 8.880 5.479 127 HD12 ILE 16 1HD1 ILE 16 2.380 7.765 4.519 128 HD13 ILE 16 2HD1 ILE 16 1.920 8.124 6.183 129 H LEU 17 H LEU 17 -1.717 9.690 1.776 130 HA LEU 17 HA LEU 17 -3.035 7.162 1.636 131 HB2 LEU 17 2HB LEU 17 -3.767 9.890 1.339 132 HB3 LEU 17 1HB LEU 17 -4.271 9.049 -0.128 133 HG LEU 17 HG LEU 17 -4.898 8.119 2.691 134 HD11 LEU 17 1HD1 LEU 17 -6.076 10.202 1.184 135 HD12 LEU 17 2HD1 LEU 17 -6.711 9.455 2.649 136 HD13 LEU 17 3HD1 LEU 17 -7.181 8.831 1.068 137 HD21 LEU 17 3HD2 LEU 17 -6.604 7.062 0.639 138 HD22 LEU 17 1HD2 LEU 17 -5.517 6.184 1.717 139 HD23 LEU 17 2HD2 LEU 17 -4.927 6.787 0.168 140 H ILE 18 H ILE 18 -1.720 9.310 -0.879 141 HA ILE 18 HA ILE 18 -2.346 7.737 -3.096 142 HB ILE 18 HB ILE 18 0.018 9.561 -2.620 143 HG12 ILE 18 2HG1 ILE 18 -2.526 10.312 -2.617 144 HG13 ILE 18 1HG1 ILE 18 -1.305 11.280 -3.440 145 HG21 ILE 18 1HG2 ILE 18 0.686 8.222 -4.443 146 HG22 ILE 18 2HG2 ILE 18 -0.048 9.630 -5.206 147 HG23 ILE 18 3HG2 ILE 18 -0.950 8.119 -5.086 148 HD11 ILE 18 3HD1 ILE 18 -2.804 9.105 -4.905 149 HD12 ILE 18 1HD1 ILE 18 -1.944 10.492 -5.572 150 HD13 ILE 18 2HD1 ILE 18 -3.480 10.722 -4.738 151 H PHE 19 H PHE 19 0.464 7.616 -0.946 152 HA PHE 19 HA PHE 19 1.892 5.641 -2.394 153 HB2 PHE 19 2HB PHE 19 2.041 6.885 0.280 154 HB3 PHE 19 1HB PHE 19 2.724 5.264 0.164 155 HD1 PHE 19 2HD PHE 19 2.545 7.996 -2.388 156 HD2 PHE 19 1HD PHE 19 5.057 5.543 0.087 157 HE1 PHE 19 2HE PHE 19 4.553 8.920 -3.511 158 HE2 PHE 19 1HE PHE 19 7.065 6.467 -1.036 159 HZ PHE 19 HZ PHE 19 6.815 8.155 -2.836 160 H SER 20 H SER 20 -0.387 5.443 0.323 161 HA SER 20 HA SER 20 -0.206 2.646 0.672 162 HB2 SER 20 2HB SER 20 -1.321 4.540 2.148 163 HB3 SER 20 1HB SER 20 -2.760 4.088 1.240 164 HG SER 20 HG SER 20 -2.878 2.472 2.567 165 H LEU 21 H LEU 21 -2.247 4.659 -1.401 166 HA LEU 21 HA LEU 21 -4.018 2.643 -2.225 167 HB2 LEU 21 2HB LEU 21 -4.428 5.049 -2.566 168 HB3 LEU 21 1HB LEU 21 -3.078 5.122 -3.691 169 HG LEU 21 HG LEU 21 -4.205 3.480 -5.145 170 HD11 LEU 21 1HD1 LEU 21 -6.131 3.482 -2.867 171 HD12 LEU 21 2HD1 LEU 21 -5.596 2.145 -3.884 172 HD13 LEU 21 3HD1 LEU 21 -6.786 3.294 -4.494 173 HD21 LEU 21 3HD2 LEU 21 -5.179 6.153 -4.529 174 HD22 LEU 21 1HD2 LEU 21 -6.436 5.141 -5.244 175 HD23 LEU 21 2HD2 LEU 21 -4.913 5.391 -6.096 176 H ILE 22 H ILE 22 -0.894 3.736 -3.460 177 HA ILE 22 HA ILE 22 -0.928 2.136 -5.815 178 HB ILE 22 HB ILE 22 1.338 3.402 -4.270 179 HG12 ILE 22 2HG1 ILE 22 0.174 4.105 -6.977 180 HG13 ILE 22 1HG1 ILE 22 -0.406 4.827 -5.474 181 HG21 ILE 22 1HG2 ILE 22 1.314 1.576 -6.625 182 HG22 ILE 22 2HG2 ILE 22 2.563 1.818 -5.404 183 HG23 ILE 22 3HG2 ILE 22 2.377 2.981 -6.716 184 HD11 ILE 22 3HD1 ILE 22 1.536 6.024 -5.134 185 HD12 ILE 22 1HD1 ILE 22 1.553 5.959 -6.896 186 HD13 ILE 22 2HD1 ILE 22 2.540 4.833 -5.963 187 H VAL 23 H VAL 23 0.038 1.547 -2.509 188 HA VAL 23 HA VAL 23 1.472 -0.874 -3.026 189 HB VAL 23 HB VAL 23 0.194 0.131 -0.470 190 HG11 VAL 23 1HG1 VAL 23 0.623 -2.118 -0.039 191 HG12 VAL 23 2HG1 VAL 23 2.161 -1.384 0.411 192 HG13 VAL 23 3HG1 VAL 23 1.987 -2.177 -1.153 193 HG21 VAL 23 3HG2 VAL 23 3.091 0.243 -0.656 194 HG22 VAL 23 1HG2 VAL 23 1.951 1.534 -0.277 195 HG23 VAL 23 2HG2 VAL 23 2.344 1.169 -1.957 196 H THR 24 H THR 24 -1.811 -0.144 -1.860 197 HA THR 24 HA THR 24 -2.640 -2.839 -1.583 198 HB THR 24 HB THR 24 -4.298 -0.357 -2.097 199 HG1 THR 24 1HG THR 24 -3.234 -0.097 -0.209 200 HG21 THR 24 3HG2 THR 24 -5.778 -2.108 -2.510 201 HG22 THR 24 1HG2 THR 24 -5.966 -1.901 -0.769 202 HG23 THR 24 2HG2 THR 24 -4.953 -3.202 -1.399 203 H TYR 25 H TYR 25 -2.541 -0.631 -4.302 204 HA TYR 25 HA TYR 25 -4.242 -2.130 -6.030 205 HB2 TYR 25 2HB TYR 25 -3.696 0.260 -6.387 206 HB3 TYR 25 1HB TYR 25 -2.029 -0.192 -6.743 207 HD1 TYR 25 1HD TYR 25 -5.542 -1.003 -7.778 208 HD2 TYR 25 2HD TYR 25 -1.423 -0.672 -8.955 209 HE1 TYR 25 1HE TYR 25 -6.176 -1.479 -10.127 210 HE2 TYR 25 2HE TYR 25 -2.057 -1.147 -11.305 211 HH TYR 25 HH TYR 25 -3.987 -2.354 -12.478 212 H CYS 26 H CYS 26 -0.691 -1.881 -5.773 213 HA CYS 26 HA CYS 26 -0.043 -3.702 -7.795 214 HB2 CYS 26 2HB CYS 26 1.456 -3.173 -5.215 215 HB3 CYS 26 1HB CYS 26 2.127 -3.909 -6.672 216 HG CYS 26 HG CYS 26 0.909 -1.078 -6.996 217 H ILE 27 H ILE 27 -0.992 -4.217 -4.446 218 HA ILE 27 HA ILE 27 -0.300 -6.987 -4.351 219 HB ILE 27 HB ILE 27 -2.159 -5.273 -2.699 220 HG12 ILE 27 2HG1 ILE 27 0.413 -6.651 -1.905 221 HG13 ILE 27 1HG1 ILE 27 0.407 -5.043 -2.633 222 HG21 ILE 27 1HG2 ILE 27 -1.517 -8.221 -2.520 223 HG22 ILE 27 2HG2 ILE 27 -3.103 -7.446 -2.505 224 HG23 ILE 27 3HG2 ILE 27 -2.033 -7.295 -1.111 225 HD11 ILE 27 3HD1 ILE 27 -0.820 -4.110 -0.831 226 HD12 ILE 27 1HD1 ILE 27 0.373 -5.155 -0.062 227 HD13 ILE 27 2HD1 ILE 27 -1.296 -5.697 -0.228 228 H ASN 28 H ASN 28 -3.316 -5.227 -5.004 229 HA ASN 28 HA ASN 28 -4.994 -7.470 -5.282 230 HB2 ASN 28 2HB ASN 28 -5.127 -4.699 -6.479 231 HB3 ASN 28 1HB ASN 28 -6.406 -5.898 -6.674 232 HD21 ASN 28 1HD2 ASN 28 -4.527 -5.734 -3.685 233 HD22 ASN 28 2HD2 ASN 28 -5.784 -5.125 -2.721 234 H ALA 29 H ALA 29 -2.610 -6.087 -7.379 235 HA ALA 29 HA ALA 29 -3.585 -7.432 -9.757 236 HB1 ALA 29 1HB ALA 29 -1.067 -6.611 -10.392 237 HB2 ALA 29 2HB ALA 29 -1.477 -5.476 -9.108 238 HB3 ALA 29 3HB ALA 29 -2.504 -5.598 -10.537 239 H LYS 30 H LYS 30 -0.921 -7.779 -7.456 240 HA LYS 30 HA LYS 30 0.325 -9.977 -8.763 241 HB2 LYS 30 2HB LYS 30 0.406 -9.016 -5.898 242 HB3 LYS 30 1HB LYS 30 1.406 -10.331 -6.515 243 HG2 LYS 30 2HG LYS 30 2.644 -8.923 -7.908 244 HG3 LYS 30 1HG LYS 30 1.377 -7.697 -7.959 245 HD2 LYS 30 2HD LYS 30 2.047 -6.730 -5.994 246 HD3 LYS 30 1HD LYS 30 2.524 -8.270 -5.278 247 HE2 LYS 30 2HE LYS 30 4.418 -6.633 -5.848 248 HE3 LYS 30 1HE LYS 30 4.599 -8.287 -6.434 249 HZ1 LYS 30 3HZ LYS 30 3.514 -7.459 -8.541 250 HZ2 LYS 30 1HZ LYS 30 5.094 -6.917 -8.249 251 HZ3 LYS 30 2HZ LYS 30 3.775 -5.887 -7.955 252 H ALA 31 H ALA 31 -2.502 -9.691 -6.835 253 HA ALA 31 HA ALA 31 -2.570 -12.320 -5.750 254 HB1 ALA 31 1HB ALA 31 -3.958 -10.230 -5.090 255 HB2 ALA 31 2HB ALA 31 -4.741 -11.808 -5.039 256 HB3 ALA 31 3HB ALA 31 -5.032 -10.724 -6.399 257 H ASP 32 H ASP 32 -2.848 -11.205 -8.903 258 HA ASP 32 HA ASP 32 -4.750 -13.171 -9.835 259 HB2 ASP 32 2HB ASP 32 -2.903 -11.278 -11.299 260 HB3 ASP 32 1HB ASP 32 -4.058 -12.344 -12.096 261 H VAL 33 H VAL 33 -1.495 -13.195 -9.009 262 HA VAL 33 HA VAL 33 -0.749 -15.287 -10.906 263 HB VAL 33 HB VAL 33 0.816 -14.002 -8.651 264 HG11 VAL 33 1HG1 VAL 33 2.117 -15.847 -8.928 265 HG12 VAL 33 2HG1 VAL 33 2.612 -15.075 -10.435 266 HG13 VAL 33 3HG1 VAL 33 1.330 -16.283 -10.446 267 HG21 VAL 33 3HG2 VAL 33 0.323 -12.412 -10.430 268 HG22 VAL 33 1HG2 VAL 33 0.811 -13.583 -11.656 269 HG23 VAL 33 2HG2 VAL 33 2.012 -12.900 -10.560 270 H LEU 34 H LEU 34 -2.080 -14.982 -7.769 271 HA LEU 34 HA LEU 34 -1.218 -17.661 -6.962 272 HB2 LEU 34 2HB LEU 34 -2.644 -15.426 -5.538 273 HB3 LEU 34 1HB LEU 34 -2.505 -17.043 -4.844 274 HG LEU 34 HG LEU 34 -0.052 -16.913 -4.991 275 HD11 LEU 34 1HD1 LEU 34 0.799 -14.469 -5.470 276 HD12 LEU 34 2HD1 LEU 34 -0.708 -14.327 -6.373 277 HD13 LEU 34 3HD1 LEU 34 0.476 -15.559 -6.815 278 HD21 LEU 34 3HD2 LEU 34 -1.731 -15.103 -3.425 279 HD22 LEU 34 1HD2 LEU 34 -0.085 -14.497 -3.610 280 HD23 LEU 34 2HD2 LEU 34 -0.363 -16.090 -2.908 281 H PHE 35 H PHE 35 -4.232 -15.845 -7.132 282 HA PHE 35 HA PHE 35 -5.779 -18.306 -7.192 283 HB2 PHE 35 2HB PHE 35 -6.503 -15.390 -7.142 284 HB3 PHE 35 1HB PHE 35 -7.706 -16.627 -7.483 285 HD1 PHE 35 2HD PHE 35 -8.315 -18.308 -5.783 286 HD2 PHE 35 1HD PHE 35 -5.491 -15.182 -4.948 287 HE1 PHE 35 2HE PHE 35 -8.504 -18.785 -3.355 288 HE2 PHE 35 1HE PHE 35 -5.678 -15.660 -2.522 289 HZ PHE 35 HZ PHE 35 -7.186 -17.460 -1.726 290 H ILE 36 H ILE 36 -4.033 -16.896 -9.446 291 HA ILE 36 HA ILE 36 -3.969 -16.870 -11.719 292 HB ILE 36 HB ILE 36 -6.188 -18.877 -11.378 293 HG12 ILE 36 2HG1 ILE 36 -3.471 -19.719 -12.153 294 HG13 ILE 36 1HG1 ILE 36 -3.592 -19.064 -10.523 295 HG21 ILE 36 1HG2 ILE 36 -6.344 -18.362 -13.630 296 HG22 ILE 36 2HG2 ILE 36 -5.064 -19.573 -13.685 297 HG23 ILE 36 3HG2 ILE 36 -4.658 -17.857 -13.737 298 HD11 ILE 36 3HD1 ILE 36 -4.002 -21.575 -10.729 299 HD12 ILE 36 1HD1 ILE 36 -5.497 -21.166 -11.570 300 HD13 ILE 36 2HD1 ILE 36 -5.259 -20.660 -9.898 301 H ALA 37 H ALA 37 -7.392 -17.315 -11.084 302 HA ALA 37 HA ALA 37 -7.986 -15.052 -12.851 303 HB1 ALA 37 1HB ALA 37 -10.407 -16.167 -12.043 304 HB2 ALA 37 2HB ALA 37 -9.323 -17.550 -12.199 305 HB3 ALA 37 3HB ALA 37 -9.575 -16.466 -13.569 306 HA PRO 38 HA PRO 38 -9.183 -12.316 -9.620 307 HB2 PRO 38 2HB PRO 38 -11.469 -11.176 -10.644 308 HB3 PRO 38 1HB PRO 38 -9.831 -10.762 -11.183 309 HG2 PRO 38 2HG PRO 38 -11.836 -12.568 -12.437 310 HG3 PRO 38 1HG PRO 38 -10.715 -11.424 -13.194 311 HD2 PRO 38 2HD PRO 38 -10.244 -14.106 -13.144 312 HD3 PRO 38 1HD PRO 38 -8.933 -12.906 -13.113 313 H ARG 39 H ARG 39 -10.665 -11.991 -7.885 314 HA ARG 39 HA ARG 39 -12.687 -14.134 -7.604 315 HB2 ARG 39 2HB ARG 39 -12.327 -13.458 -5.074 316 HB3 ARG 39 1HB ARG 39 -11.220 -14.574 -5.877 317 HG2 ARG 39 2HG ARG 39 -9.537 -12.984 -6.068 318 HG3 ARG 39 1HG ARG 39 -10.668 -11.632 -6.033 319 HD2 ARG 39 2HD ARG 39 -10.987 -11.817 -3.689 320 HD3 ARG 39 1HD ARG 39 -10.261 -13.421 -3.636 321 HE ARG 39 HE ARG 39 -8.405 -11.452 -4.578 322 HH11 ARG 39 1HH2 ARG 39 -9.960 -12.764 -1.779 323 HH12 ARG 39 2HH2 ARG 39 -8.682 -12.332 -0.694 324 HH21 ARG 39 1HH1 ARG 39 -6.723 -10.881 -3.161 325 HH22 ARG 39 2HH1 ARG 39 -6.848 -11.265 -1.477 326 H GLU 40 H GLU 40 -14.691 -13.635 -6.696 327 HA GLU 40 HA GLU 40 -15.799 -11.170 -7.424 328 HB2 GLU 40 2HB GLU 40 -16.704 -13.504 -5.801 329 HB3 GLU 40 1HB GLU 40 -17.635 -12.013 -5.697 330 HG2 GLU 40 2HG GLU 40 -17.968 -11.977 -8.089 331 HG3 GLU 40 1HG GLU 40 -16.872 -13.336 -8.308 332 HA PRO 41 HA PRO 41 -14.824 -8.490 -4.046 333 HB2 PRO 41 2HB PRO 41 -17.133 -7.008 -3.860 334 HB3 PRO 41 1HB PRO 41 -15.917 -6.782 -5.132 335 HG2 PRO 41 2HG PRO 41 -18.502 -8.263 -5.227 336 HG3 PRO 41 1HG PRO 41 -17.761 -7.205 -6.441 337 HD2 PRO 41 2HD PRO 41 -17.663 -9.903 -6.640 338 HD3 PRO 41 1HD PRO 41 -16.344 -8.866 -7.224 339 H GLY 42 H GLY 42 -18.316 -9.128 -3.666 340 HA2 GLY 42 2HA GLY 42 -19.559 -9.750 -1.829 341 HA3 GLY 42 1HA GLY 42 -18.250 -10.889 -1.527 342 H ALA 43 H ALA 43 -17.556 -7.493 -1.596 343 HA ALA 43 HA ALA 43 -16.657 -6.116 0.020 344 HB1 ALA 43 1HB ALA 43 -18.592 -7.138 2.037 345 HB2 ALA 43 2HB ALA 43 -19.261 -6.448 0.558 346 HB3 ALA 43 3HB ALA 43 -18.204 -5.478 1.583 347 H VAL 44 H VAL 44 -15.977 -9.157 -0.014 348 HA VAL 44 HA VAL 44 -15.340 -9.973 2.600 349 HB VAL 44 HB VAL 44 -14.008 -10.645 -0.035 350 HG11 VAL 44 1HG1 VAL 44 -13.322 -12.722 1.329 351 HG12 VAL 44 2HG1 VAL 44 -13.692 -11.753 2.756 352 HG13 VAL 44 3HG1 VAL 44 -12.433 -11.230 1.638 353 HG21 VAL 44 3HG2 VAL 44 -16.518 -11.182 0.481 354 HG22 VAL 44 1HG2 VAL 44 -15.857 -12.400 1.570 355 HG23 VAL 44 2HG2 VAL 44 -15.489 -12.464 -0.153 356 H SER 45 H SER 45 -13.799 -9.370 3.988 357 HA SER 45 HA SER 45 -11.929 -7.279 3.186 358 HB2 SER 45 2HB SER 45 -13.061 -6.928 5.280 359 HB3 SER 45 1HB SER 45 -12.597 -8.525 5.857 360 HG SER 45 HG SER 45 -10.685 -7.781 6.344 361 H TYR 46 H TYR 46 -9.800 -7.550 2.875 362 HA TYR 46 HA TYR 46 -7.905 -8.764 2.308 363 HB2 TYR 46 2HB TYR 46 -8.332 -9.618 5.181 364 HB3 TYR 46 1HB TYR 46 -6.807 -9.701 4.301 365 HD1 TYR 46 1HD TYR 46 -6.213 -7.365 3.036 366 HD2 TYR 46 2HD TYR 46 -8.618 -7.769 6.575 367 HE1 TYR 46 1HE TYR 46 -5.741 -5.006 3.624 368 HE2 TYR 46 2HE TYR 46 -8.143 -5.408 7.163 369 HH TYR 46 HH TYR 46 -7.487 -3.303 5.927 Start of MODEL 12 1 H ALA 1 1HT ALA 1 3.666 28.960 10.685 2 HA ALA 1 HA ALA 1 2.592 29.449 13.408 3 HB1 ALA 1 2HB ALA 1 2.668 31.242 11.473 4 HB2 ALA 1 3HB ALA 1 1.194 31.028 12.417 5 HB3 ALA 1 1HB ALA 1 1.333 30.295 10.818 6 H SER 2 H SER 2 0.524 28.549 13.809 7 HA SER 2 HA SER 2 0.069 25.937 13.312 8 HB2 SER 2 2HB SER 2 -2.072 28.070 13.459 9 HB3 SER 2 1HB SER 2 -2.338 26.345 13.693 10 HG SER 2 HG SER 2 -1.736 26.655 15.673 11 H LYS 3 H LYS 3 -0.612 28.587 11.118 12 HA LYS 3 HA LYS 3 -2.200 27.169 9.253 13 HB2 LYS 3 2HB LYS 3 -2.070 29.615 9.261 14 HB3 LYS 3 1HB LYS 3 -0.363 29.538 8.819 15 HG2 LYS 3 2HG LYS 3 -0.811 28.843 6.654 16 HG3 LYS 3 1HG LYS 3 -2.345 28.094 7.100 17 HD2 LYS 3 2HD LYS 3 -2.702 30.161 5.786 18 HD3 LYS 3 1HD LYS 3 -3.355 30.313 7.417 19 HE2 LYS 3 2HE LYS 3 -1.505 31.638 8.142 20 HE3 LYS 3 1HE LYS 3 -0.569 31.244 6.700 21 HZ1 LYS 3 3HZ LYS 3 -2.171 33.430 7.038 22 HZ2 LYS 3 1HZ LYS 3 -3.099 32.400 6.060 23 HZ3 LYS 3 2HZ LYS 3 -1.541 32.865 5.563 24 H GLU 4 H GLU 4 1.301 27.820 9.370 25 HA GLU 4 HA GLU 4 1.991 26.508 6.981 26 HB2 GLU 4 2HB GLU 4 3.484 27.188 9.497 27 HB3 GLU 4 1HB GLU 4 4.252 26.208 8.245 28 HG2 GLU 4 2HG GLU 4 3.909 27.942 6.590 29 HG3 GLU 4 1HG GLU 4 2.948 28.892 7.722 30 H LEU 5 H LEU 5 1.665 25.313 10.294 31 HA LEU 5 HA LEU 5 2.631 22.699 9.810 32 HB2 LEU 5 2HB LEU 5 0.878 23.924 11.924 33 HB3 LEU 5 1HB LEU 5 1.163 22.183 11.896 34 HG LEU 5 HG LEU 5 2.779 23.468 13.350 35 HD11 LEU 5 1HD1 LEU 5 4.527 22.423 11.208 36 HD12 LEU 5 2HD1 LEU 5 3.258 21.310 11.718 37 HD13 LEU 5 3HD1 LEU 5 4.409 21.937 12.898 38 HD21 LEU 5 3HD2 LEU 5 2.826 25.426 11.681 39 HD22 LEU 5 1HD2 LEU 5 3.948 24.446 10.734 40 HD23 LEU 5 2HD2 LEU 5 4.376 24.944 12.372 41 H GLU 6 H GLU 6 -0.561 24.154 9.539 42 HA GLU 6 HA GLU 6 -2.031 21.779 9.180 43 HB2 GLU 6 2HB GLU 6 -2.592 24.512 9.243 44 HB3 GLU 6 1HB GLU 6 -3.057 24.006 7.619 45 HG2 GLU 6 2HG GLU 6 -4.986 23.654 8.977 46 HG3 GLU 6 1HG GLU 6 -4.285 22.055 8.729 47 H LEU 7 H LEU 7 -0.463 23.955 6.850 48 HA LEU 7 HA LEU 7 -1.309 22.672 4.510 49 HB2 LEU 7 2HB LEU 7 0.518 24.748 5.214 50 HB3 LEU 7 1HB LEU 7 1.363 23.628 4.149 51 HG LEU 7 HG LEU 7 0.217 25.375 2.846 52 HD11 LEU 7 1HD1 LEU 7 -1.564 23.145 2.192 53 HD12 LEU 7 2HD1 LEU 7 0.105 22.631 2.436 54 HD13 LEU 7 3HD1 LEU 7 -0.269 23.863 1.232 55 HD21 LEU 7 3HD2 LEU 7 -1.867 26.081 3.364 56 HD22 LEU 7 1HD2 LEU 7 -1.778 25.051 4.794 57 HD23 LEU 7 2HD2 LEU 7 -2.497 24.434 3.307 58 H ILE 8 H ILE 8 1.671 22.198 6.396 59 HA ILE 8 HA ILE 8 2.786 20.177 4.808 60 HB ILE 8 HB ILE 8 3.009 20.564 7.802 61 HG12 ILE 8 2HG1 ILE 8 4.886 21.494 5.616 62 HG13 ILE 8 1HG1 ILE 8 3.615 22.521 6.280 63 HG21 ILE 8 1HG2 ILE 8 4.337 18.763 5.831 64 HG22 ILE 8 2HG2 ILE 8 4.005 18.506 7.544 65 HG23 ILE 8 3HG2 ILE 8 5.367 19.513 7.050 66 HD11 ILE 8 3HD1 ILE 8 5.165 21.241 8.388 67 HD12 ILE 8 1HD1 ILE 8 4.817 22.952 8.138 68 HD13 ILE 8 2HD1 ILE 8 6.188 22.203 7.320 69 H THR 9 H THR 9 0.572 19.975 7.581 70 HA THR 9 HA THR 9 0.475 17.198 7.853 71 HB THR 9 HB THR 9 -1.799 19.154 8.261 72 HG1 THR 9 1HG THR 9 -0.418 18.312 10.438 73 HG21 THR 9 3HG2 THR 9 -2.616 16.898 8.334 74 HG22 THR 9 1HG2 THR 9 -2.439 17.430 10.006 75 HG23 THR 9 2HG2 THR 9 -1.230 16.365 9.287 76 H LEU 10 H LEU 10 -1.693 19.313 5.962 77 HA LEU 10 HA LEU 10 -3.282 17.307 4.838 78 HB2 LEU 10 2HB LEU 10 -2.500 20.062 3.906 79 HB3 LEU 10 1HB LEU 10 -3.548 19.028 2.933 80 HG LEU 10 HG LEU 10 -4.229 19.285 5.819 81 HD11 LEU 10 1HD1 LEU 10 -5.419 21.412 5.423 82 HD12 LEU 10 2HD1 LEU 10 -4.748 21.486 3.794 83 HD13 LEU 10 3HD1 LEU 10 -3.681 21.612 5.193 84 HD21 LEU 10 3HD2 LEU 10 -5.449 17.949 3.973 85 HD22 LEU 10 1HD2 LEU 10 -6.007 19.515 3.388 86 HD23 LEU 10 2HD2 LEU 10 -6.438 18.975 5.010 87 H THR 11 H THR 11 -0.240 18.723 3.676 88 HA THR 11 HA THR 11 -0.109 17.336 1.227 89 HB THR 11 HB THR 11 2.202 18.251 2.952 90 HG1 THR 11 1HG THR 11 1.105 19.692 0.817 91 HG21 THR 11 3HG2 THR 11 3.295 18.483 0.691 92 HG22 THR 11 1HG2 THR 11 1.906 17.642 0.001 93 HG23 THR 11 2HG2 THR 11 2.949 16.818 1.161 94 H VAL 12 H VAL 12 1.271 16.563 4.417 95 HA VAL 12 HA VAL 12 2.542 14.167 3.685 96 HB VAL 12 HB VAL 12 1.388 15.095 6.320 97 HG11 VAL 12 1HG1 VAL 12 2.773 12.555 5.531 98 HG12 VAL 12 2HG1 VAL 12 1.463 12.801 6.687 99 HG13 VAL 12 3HG1 VAL 12 3.114 13.254 7.113 100 HG21 VAL 12 3HG2 VAL 12 3.342 16.202 6.548 101 HG22 VAL 12 1HG2 VAL 12 3.677 15.835 4.855 102 HG23 VAL 12 2HG2 VAL 12 4.265 14.760 6.125 103 H GLY 13 H GLY 13 -0.778 14.853 4.575 104 HA2 GLY 13 2HA GLY 13 -1.614 12.154 4.928 105 HA3 GLY 13 1HA GLY 13 -2.667 13.542 4.661 106 H PHE 14 H PHE 14 -1.971 14.442 2.235 107 HA PHE 14 HA PHE 14 -3.240 12.636 0.466 108 HB2 PHE 14 2HB PHE 14 -3.334 15.062 0.117 109 HB3 PHE 14 1HB PHE 14 -1.590 15.107 -0.143 110 HD1 PHE 14 2HD PHE 14 -4.802 13.818 -1.495 111 HD2 PHE 14 1HD PHE 14 -0.619 14.454 -2.232 112 HE1 PHE 14 2HE PHE 14 -5.141 13.265 -3.888 113 HE2 PHE 14 1HE PHE 14 -0.957 13.902 -4.626 114 HZ PHE 14 HZ PHE 14 -3.219 13.307 -5.455 115 H GLY 15 H GLY 15 0.105 13.335 1.228 116 HA2 GLY 15 2HA GLY 15 1.229 11.935 -1.019 117 HA3 GLY 15 1HA GLY 15 2.094 12.434 0.434 118 H ILE 16 H ILE 16 0.396 11.094 2.309 119 HA ILE 16 HA ILE 16 1.618 8.512 2.258 120 HB ILE 16 HB ILE 16 -0.507 9.749 4.005 121 HG12 ILE 16 2HG1 ILE 16 2.083 10.315 3.994 122 HG13 ILE 16 1HG1 ILE 16 1.215 10.130 5.519 123 HG21 ILE 16 1HG2 ILE 16 0.030 7.692 5.483 124 HG22 ILE 16 2HG2 ILE 16 0.626 6.953 3.998 125 HG23 ILE 16 3HG2 ILE 16 -1.060 7.458 4.116 126 HD11 ILE 16 3HD1 ILE 16 3.454 8.856 5.230 127 HD12 ILE 16 1HD1 ILE 16 2.532 7.768 4.196 128 HD13 ILE 16 2HD1 ILE 16 2.077 7.971 5.885 129 H LEU 17 H LEU 17 -1.566 9.722 1.504 130 HA LEU 17 HA LEU 17 -2.870 7.215 1.218 131 HB2 LEU 17 2HB LEU 17 -3.520 9.983 0.790 132 HB3 LEU 17 1HB LEU 17 -4.049 9.034 -0.600 133 HG LEU 17 HG LEU 17 -4.654 8.323 2.285 134 HD11 LEU 17 1HD1 LEU 17 -6.037 10.145 2.028 135 HD12 LEU 17 2HD1 LEU 17 -7.054 8.931 1.254 136 HD13 LEU 17 3HD1 LEU 17 -6.066 10.011 0.270 137 HD21 LEU 17 3HD2 LEU 17 -4.857 6.890 -0.214 138 HD22 LEU 17 1HD2 LEU 17 -6.472 7.171 0.438 139 HD23 LEU 17 2HD2 LEU 17 -5.263 6.336 1.410 140 H ILE 18 H ILE 18 -1.198 9.305 -1.108 141 HA ILE 18 HA ILE 18 -1.727 7.754 -3.401 142 HB ILE 18 HB ILE 18 0.550 9.628 -2.738 143 HG12 ILE 18 2HG1 ILE 18 -1.999 10.311 -3.013 144 HG13 ILE 18 1HG1 ILE 18 -0.726 11.293 -3.734 145 HG21 ILE 18 1HG2 ILE 18 1.442 8.282 -4.458 146 HG22 ILE 18 2HG2 ILE 18 0.741 9.650 -5.324 147 HG23 ILE 18 3HG2 ILE 18 -0.120 8.113 -5.259 148 HD11 ILE 18 3HD1 ILE 18 -2.741 10.640 -5.232 149 HD12 ILE 18 1HD1 ILE 18 -2.002 9.039 -5.286 150 HD13 ILE 18 2HD1 ILE 18 -1.121 10.437 -5.898 151 H PHE 19 H PHE 19 0.885 7.641 -1.021 152 HA PHE 19 HA PHE 19 2.462 5.702 -2.365 153 HB2 PHE 19 2HB PHE 19 3.642 6.810 -0.705 154 HB3 PHE 19 1HB PHE 19 2.302 6.738 0.440 155 HD1 PHE 19 1HD PHE 19 1.762 4.620 1.618 156 HD2 PHE 19 2HD PHE 19 5.201 4.983 -0.929 157 HE1 PHE 19 1HE PHE 19 2.711 2.550 2.603 158 HE2 PHE 19 2HE PHE 19 6.150 2.915 0.056 159 HZ PHE 19 HZ PHE 19 4.905 1.697 1.822 160 H SER 20 H SER 20 -0.015 5.441 0.169 161 HA SER 20 HA SER 20 0.168 2.631 0.466 162 HB2 SER 20 2HB SER 20 -1.474 4.774 1.494 163 HB3 SER 20 1HB SER 20 -2.469 3.383 1.077 164 HG SER 20 HG SER 20 -1.563 2.279 2.634 165 H LEU 21 H LEU 21 -1.782 4.704 -1.653 166 HA LEU 21 HA LEU 21 -3.509 2.730 -2.635 167 HB2 LEU 21 2HB LEU 21 -3.836 5.167 -2.941 168 HB3 LEU 21 1HB LEU 21 -2.452 5.201 -4.034 169 HG LEU 21 HG LEU 21 -4.234 3.094 -4.822 170 HD11 LEU 21 1HD1 LEU 21 -6.146 4.575 -5.509 171 HD12 LEU 21 2HD1 LEU 21 -5.462 5.843 -4.493 172 HD13 LEU 21 3HD1 LEU 21 -6.023 4.339 -3.766 173 HD21 LEU 21 3HD2 LEU 21 -2.557 4.261 -6.235 174 HD22 LEU 21 1HD2 LEU 21 -3.520 5.735 -6.132 175 HD23 LEU 21 2HD2 LEU 21 -4.169 4.314 -6.952 176 H ILE 22 H ILE 22 -0.286 3.783 -3.634 177 HA ILE 22 HA ILE 22 -0.161 2.268 -6.031 178 HB ILE 22 HB ILE 22 2.001 3.336 -4.208 179 HG12 ILE 22 2HG1 ILE 22 1.262 4.235 -6.994 180 HG13 ILE 22 1HG1 ILE 22 0.409 4.857 -5.582 181 HG21 ILE 22 1HG2 ILE 22 2.122 1.596 -6.616 182 HG22 ILE 22 2HG2 ILE 22 3.269 1.761 -5.287 183 HG23 ILE 22 3HG2 ILE 22 3.241 2.959 -6.580 184 HD11 ILE 22 3HD1 ILE 22 2.268 5.978 -4.775 185 HD12 ILE 22 1HD1 ILE 22 2.567 6.092 -6.509 186 HD13 ILE 22 2HD1 ILE 22 3.401 4.871 -5.547 187 H VAL 23 H VAL 23 0.735 1.555 -2.689 188 HA VAL 23 HA VAL 23 1.942 -0.964 -3.215 189 HB VAL 23 HB VAL 23 0.659 0.087 -0.679 190 HG11 VAL 23 1HG1 VAL 23 0.900 -2.122 -0.122 191 HG12 VAL 23 2HG1 VAL 23 2.580 -1.645 0.118 192 HG13 VAL 23 3HG1 VAL 23 2.090 -2.420 -1.389 193 HG21 VAL 23 3HG2 VAL 23 2.649 1.129 -0.204 194 HG22 VAL 23 1HG2 VAL 23 2.789 1.165 -1.962 195 HG23 VAL 23 2HG2 VAL 23 3.607 -0.095 -1.038 196 H THR 24 H THR 24 -1.293 -0.068 -2.014 197 HA THR 24 HA THR 24 -2.363 -2.641 -1.815 198 HB THR 24 HB THR 24 -3.766 -0.062 -2.557 199 HG1 THR 24 1HG THR 24 -4.188 -0.919 -0.080 200 HG21 THR 24 3HG2 THR 24 -5.691 -1.387 -1.391 201 HG22 THR 24 1HG2 THR 24 -4.731 -2.808 -1.803 202 HG23 THR 24 2HG2 THR 24 -5.317 -1.739 -3.077 203 H TYR 25 H TYR 25 -1.892 -0.560 -4.599 204 HA TYR 25 HA TYR 25 -3.564 -1.973 -6.412 205 HB2 TYR 25 2HB TYR 25 -2.821 0.271 -6.938 206 HB3 TYR 25 1HB TYR 25 -1.133 -0.235 -6.889 207 HD1 TYR 25 1HD TYR 25 -0.211 -1.729 -8.634 208 HD2 TYR 25 2HD TYR 25 -4.235 -0.241 -8.832 209 HE1 TYR 25 1HE TYR 25 -0.335 -2.381 -11.025 210 HE2 TYR 25 2HE TYR 25 -4.359 -0.892 -11.221 211 HH TYR 25 HH TYR 25 -3.058 -2.758 -12.687 212 H CYS 26 H CYS 26 -0.031 -2.078 -5.903 213 HA CYS 26 HA CYS 26 0.563 -4.091 -7.741 214 HB2 CYS 26 2HB CYS 26 1.892 -3.474 -5.093 215 HB3 CYS 26 1HB CYS 26 2.582 -4.493 -6.356 216 HG CYS 26 HG CYS 26 2.368 -1.422 -6.448 217 H ILE 27 H ILE 27 -0.758 -4.277 -4.503 218 HA ILE 27 HA ILE 27 -0.365 -7.096 -4.174 219 HB ILE 27 HB ILE 27 -2.154 -5.099 -2.780 220 HG12 ILE 27 2HG1 ILE 27 0.250 -6.625 -1.750 221 HG13 ILE 27 1HG1 ILE 27 0.391 -5.044 -2.519 222 HG21 ILE 27 1HG2 ILE 27 -2.090 -7.167 -1.073 223 HG22 ILE 27 2HG2 ILE 27 -1.963 -8.071 -2.582 224 HG23 ILE 27 3HG2 ILE 27 -3.346 -7.014 -2.303 225 HD11 ILE 27 3HD1 ILE 27 -1.670 -5.242 -0.403 226 HD12 ILE 27 1HD1 ILE 27 -0.520 -3.948 -0.737 227 HD13 ILE 27 2HD1 ILE 27 -0.001 -5.381 0.151 228 H ASN 28 H ASN 28 -3.128 -5.072 -5.129 229 HA ASN 28 HA ASN 28 -5.043 -7.093 -5.391 230 HB2 ASN 28 2HB ASN 28 -4.669 -4.420 -6.716 231 HB3 ASN 28 1HB ASN 28 -5.995 -5.481 -7.190 232 HD21 ASN 28 1HD2 ASN 28 -4.855 -3.310 -4.707 233 HD22 ASN 28 2HD2 ASN 28 -6.196 -3.468 -3.678 234 H ALA 29 H ALA 29 -2.522 -6.007 -7.601 235 HA ALA 29 HA ALA 29 -3.422 -7.558 -9.831 236 HB1 ALA 29 1HB ALA 29 -1.405 -5.626 -9.330 237 HB2 ALA 29 2HB ALA 29 -1.905 -6.296 -10.883 238 HB3 ALA 29 3HB ALA 29 -0.609 -7.065 -9.966 239 H LYS 30 H LYS 30 -0.776 -7.965 -7.491 240 HA LYS 30 HA LYS 30 0.187 -10.422 -8.420 241 HB2 LYS 30 2HB LYS 30 0.159 -9.177 -5.673 242 HB3 LYS 30 1HB LYS 30 0.940 -10.724 -5.996 243 HG2 LYS 30 2HG LYS 30 2.363 -9.682 -7.701 244 HG3 LYS 30 1HG LYS 30 1.554 -8.134 -7.453 245 HD2 LYS 30 2HD LYS 30 3.170 -7.710 -5.926 246 HD3 LYS 30 1HD LYS 30 2.321 -8.855 -4.886 247 HE2 LYS 30 2HE LYS 30 4.654 -9.519 -5.027 248 HE3 LYS 30 1HE LYS 30 3.678 -10.700 -5.901 249 HZ1 LYS 30 3HZ LYS 30 5.246 -8.465 -7.066 250 HZ2 LYS 30 1HZ LYS 30 4.181 -9.443 -7.955 251 HZ3 LYS 30 2HZ LYS 30 5.556 -10.128 -7.230 252 H ALA 31 H ALA 31 -2.642 -9.656 -6.541 253 HA ALA 31 HA ALA 31 -3.126 -12.231 -5.459 254 HB1 ALA 31 1HB ALA 31 -4.926 -11.244 -4.526 255 HB2 ALA 31 2HB ALA 31 -5.517 -10.660 -6.082 256 HB3 ALA 31 3HB ALA 31 -4.289 -9.746 -5.207 257 H ASP 32 H ASP 32 -3.238 -11.090 -8.625 258 HA ASP 32 HA ASP 32 -5.422 -12.474 -9.711 259 HB2 ASP 32 2HB ASP 32 -2.768 -11.743 -10.960 260 HB3 ASP 32 1HB ASP 32 -4.163 -12.337 -11.859 261 H VAL 33 H VAL 33 -2.222 -13.522 -8.837 262 HA VAL 33 HA VAL 33 -2.254 -16.016 -10.208 263 HB VAL 33 HB VAL 33 -0.699 -15.022 -7.819 264 HG11 VAL 33 1HG1 VAL 33 -0.741 -17.715 -9.171 265 HG12 VAL 33 2HG1 VAL 33 -0.704 -17.345 -7.448 266 HG13 VAL 33 3HG1 VAL 33 0.740 -17.110 -8.431 267 HG21 VAL 33 3HG2 VAL 33 0.626 -15.826 -10.332 268 HG22 VAL 33 1HG2 VAL 33 0.863 -14.381 -9.349 269 HG23 VAL 33 2HG2 VAL 33 -0.472 -14.455 -10.498 270 H LEU 34 H LEU 34 -3.541 -14.919 -7.158 271 HA LEU 34 HA LEU 34 -4.039 -17.559 -6.129 272 HB2 LEU 34 2HB LEU 34 -4.860 -14.789 -5.271 273 HB3 LEU 34 1HB LEU 34 -5.479 -16.226 -4.459 274 HG LEU 34 HG LEU 34 -3.447 -15.277 -3.346 275 HD11 LEU 34 1HD1 LEU 34 -4.065 -17.897 -3.811 276 HD12 LEU 34 2HD1 LEU 34 -2.748 -17.366 -2.763 277 HD13 LEU 34 3HD1 LEU 34 -2.421 -17.821 -4.437 278 HD21 LEU 34 3HD2 LEU 34 -2.469 -14.591 -5.657 279 HD22 LEU 34 1HD2 LEU 34 -1.883 -16.252 -5.738 280 HD23 LEU 34 2HD2 LEU 34 -1.350 -15.193 -4.434 281 H PHE 35 H PHE 35 -5.789 -15.177 -7.891 282 HA PHE 35 HA PHE 35 -8.325 -16.539 -7.682 283 HB2 PHE 35 2HB PHE 35 -7.382 -14.169 -9.282 284 HB3 PHE 35 1HB PHE 35 -8.980 -14.872 -9.514 285 HD1 PHE 35 2HD PHE 35 -10.297 -15.357 -7.223 286 HD2 PHE 35 1HD PHE 35 -7.180 -12.444 -7.728 287 HE1 PHE 35 2HE PHE 35 -11.127 -14.123 -5.237 288 HE2 PHE 35 1HE PHE 35 -8.011 -11.211 -5.744 289 HZ PHE 35 HZ PHE 35 -9.984 -12.050 -4.499 290 H ILE 36 H ILE 36 -5.601 -16.665 -9.730 291 HA ILE 36 HA ILE 36 -7.025 -18.072 -11.858 292 HB ILE 36 HB ILE 36 -4.131 -17.243 -11.590 293 HG12 ILE 36 2HG1 ILE 36 -6.173 -16.271 -13.586 294 HG13 ILE 36 1HG1 ILE 36 -6.042 -15.523 -11.995 295 HG21 ILE 36 1HG2 ILE 36 -4.294 -17.822 -14.152 296 HG22 ILE 36 2HG2 ILE 36 -5.622 -18.862 -13.638 297 HG23 ILE 36 3HG2 ILE 36 -4.003 -19.114 -12.986 298 HD11 ILE 36 3HD1 ILE 36 -3.790 -15.807 -14.007 299 HD12 ILE 36 1HD1 ILE 36 -3.642 -15.084 -12.405 300 HD13 ILE 36 2HD1 ILE 36 -4.652 -14.314 -13.630 301 H ALA 37 H ALA 37 -3.889 -18.755 -10.419 302 HA ALA 37 HA ALA 37 -4.052 -21.537 -10.799 303 HB1 ALA 37 1HB ALA 37 -2.366 -21.033 -8.565 304 HB2 ALA 37 2HB ALA 37 -2.165 -19.692 -9.692 305 HB3 ALA 37 3HB ALA 37 -1.893 -21.350 -10.234 306 HA PRO 38 HA PRO 38 -6.421 -23.489 -7.663 307 HB2 PRO 38 2HB PRO 38 -3.878 -24.376 -6.364 308 HB3 PRO 38 1HB PRO 38 -5.305 -25.325 -6.812 309 HG2 PRO 38 2HG PRO 38 -3.008 -25.308 -8.248 310 HG3 PRO 38 1HG PRO 38 -4.606 -25.610 -8.952 311 HD2 PRO 38 2HD PRO 38 -2.854 -23.292 -9.314 312 HD3 PRO 38 1HD PRO 38 -4.299 -23.764 -10.233 313 H ARG 39 H ARG 39 -7.207 -23.063 -5.589 314 HA ARG 39 HA ARG 39 -5.982 -20.766 -4.237 315 HB2 ARG 39 2HB ARG 39 -8.692 -22.078 -3.937 316 HB3 ARG 39 1HB ARG 39 -8.147 -20.690 -2.995 317 HG2 ARG 39 2HG ARG 39 -7.825 -19.398 -5.069 318 HG3 ARG 39 1HG ARG 39 -8.363 -20.784 -6.019 319 HD2 ARG 39 2HD ARG 39 -10.520 -20.709 -4.656 320 HD3 ARG 39 1HD ARG 39 -9.979 -19.143 -4.060 321 HE ARG 39 HE ARG 39 -10.431 -18.230 -6.160 322 HH11 ARG 39 1HH2 ARG 39 -10.519 -21.690 -6.216 323 HH12 ARG 39 2HH2 ARG 39 -11.197 -21.784 -7.807 324 HH21 ARG 39 1HH1 ARG 39 -11.321 -18.347 -8.246 325 HH22 ARG 39 2HH1 ARG 39 -11.651 -19.893 -8.957 326 H GLU 40 H GLU 40 -5.374 -20.782 -2.094 327 HA GLU 40 HA GLU 40 -5.046 -23.463 -0.913 328 HB2 GLU 40 2HB GLU 40 -3.492 -21.570 0.498 329 HB3 GLU 40 1HB GLU 40 -2.922 -22.838 -0.589 330 HG2 GLU 40 2HG GLU 40 -3.203 -21.331 -2.513 331 HG3 GLU 40 1HG GLU 40 -3.799 -20.064 -1.441 332 HA PRO 41 HA PRO 41 -7.630 -22.457 2.501 333 HB2 PRO 41 2HB PRO 41 -6.274 -23.545 4.619 334 HB3 PRO 41 1HB PRO 41 -7.142 -24.512 3.411 335 HG2 PRO 41 2HG PRO 41 -4.232 -23.949 3.648 336 HG3 PRO 41 1HG PRO 41 -5.060 -25.443 3.178 337 HD2 PRO 41 2HD PRO 41 -3.911 -23.742 1.369 338 HD3 PRO 41 1HD PRO 41 -5.305 -24.774 0.987 339 H GLY 42 H GLY 42 -5.113 -20.667 1.855 340 HA2 GLY 42 2HA GLY 42 -4.096 -18.790 2.723 341 HA3 GLY 42 1HA GLY 42 -5.630 -18.548 3.552 342 H ALA 43 H ALA 43 -3.876 -21.448 4.207 343 HA ALA 43 HA ALA 43 -3.088 -22.263 6.221 344 HB1 ALA 43 1HB ALA 43 -1.033 -21.352 5.526 345 HB2 ALA 43 2HB ALA 43 -1.237 -20.727 7.162 346 HB3 ALA 43 3HB ALA 43 -1.581 -19.694 5.775 347 H VAL 44 H VAL 44 -5.581 -21.099 6.564 348 HA VAL 44 HA VAL 44 -5.435 -19.332 8.882 349 HB VAL 44 HB VAL 44 -7.766 -20.503 7.350 350 HG11 VAL 44 1HG1 VAL 44 -8.842 -20.162 9.339 351 HG12 VAL 44 2HG1 VAL 44 -8.809 -18.475 8.823 352 HG13 VAL 44 3HG1 VAL 44 -7.589 -19.079 9.946 353 HG21 VAL 44 3HG2 VAL 44 -6.176 -18.580 6.475 354 HG22 VAL 44 1HG2 VAL 44 -7.090 -17.591 7.614 355 HG23 VAL 44 2HG2 VAL 44 -7.925 -18.428 6.304 356 H SER 45 H SER 45 -4.985 -20.249 10.783 357 HA SER 45 HA SER 45 -6.021 -22.949 11.355 358 HB2 SER 45 2HB SER 45 -4.057 -23.306 12.376 359 HB3 SER 45 1HB SER 45 -3.528 -21.719 11.827 360 HG SER 45 HG SER 45 -4.857 -22.394 14.242 361 H TYR 46 H TYR 46 -7.176 -23.375 13.249 362 HA TYR 46 HA TYR 46 -8.209 -21.005 14.688 363 HB2 TYR 46 2HB TYR 46 -9.656 -22.897 13.080 364 HB3 TYR 46 1HB TYR 46 -10.178 -23.032 14.760 365 HD1 TYR 46 2HD TYR 46 -10.830 -20.904 16.009 366 HD2 TYR 46 1HD TYR 46 -10.310 -21.049 11.748 367 HE1 TYR 46 2HE TYR 46 -12.127 -18.803 15.779 368 HE2 TYR 46 1HE TYR 46 -11.607 -18.947 11.518 369 HH TYR 46 HH TYR 46 -13.590 -17.764 13.714 Start of MODEL 13 1 H ALA 1 1HT ALA 1 1.482 31.585 9.448 2 HA ALA 1 HA ALA 1 1.444 31.610 12.376 3 HB1 ALA 1 2HB ALA 1 -0.793 32.377 10.671 4 HB2 ALA 1 3HB ALA 1 -0.665 32.412 12.429 5 HB3 ALA 1 1HB ALA 1 -1.152 30.928 11.609 6 H SER 2 H SER 2 -0.035 29.490 12.832 7 HA SER 2 HA SER 2 1.471 27.298 11.949 8 HB2 SER 2 2HB SER 2 -0.711 27.750 13.721 9 HB3 SER 2 1HB SER 2 -1.147 26.411 12.662 10 HG SER 2 HG SER 2 0.408 25.238 13.500 11 H LYS 3 H LYS 3 -0.588 29.140 10.153 12 HA LYS 3 HA LYS 3 -2.188 27.404 8.695 13 HB2 LYS 3 2HB LYS 3 -2.217 29.065 6.974 14 HB3 LYS 3 1HB LYS 3 -2.087 29.928 8.507 15 HG2 LYS 3 2HG LYS 3 0.495 29.739 8.087 16 HG3 LYS 3 1HG LYS 3 0.017 29.477 6.409 17 HD2 LYS 3 2HD LYS 3 -0.643 31.873 8.143 18 HD3 LYS 3 1HD LYS 3 0.374 31.848 6.703 19 HE2 LYS 3 2HE LYS 3 -1.741 30.934 5.498 20 HE3 LYS 3 1HE LYS 3 -2.617 31.553 6.897 21 HZ1 LYS 3 3HZ LYS 3 -2.602 33.474 5.788 22 HZ2 LYS 3 1HZ LYS 3 -1.370 32.981 4.731 23 HZ3 LYS 3 2HZ LYS 3 -0.975 33.600 6.264 24 H GLU 4 H GLU 4 1.262 28.076 8.374 25 HA GLU 4 HA GLU 4 1.624 26.607 5.953 26 HB2 GLU 4 2HB GLU 4 4.085 26.573 7.098 27 HB3 GLU 4 1HB GLU 4 3.442 27.949 6.201 28 HG2 GLU 4 2HG GLU 4 2.819 29.094 8.171 29 HG3 GLU 4 1HG GLU 4 2.923 27.635 9.156 30 H LEU 5 H LEU 5 2.265 25.848 9.376 31 HA LEU 5 HA LEU 5 3.229 23.242 9.001 32 HB2 LEU 5 2HB LEU 5 1.807 24.569 11.308 33 HB3 LEU 5 1HB LEU 5 2.374 22.901 11.389 34 HG LEU 5 HG LEU 5 4.275 25.018 10.450 35 HD11 LEU 5 1HD1 LEU 5 3.346 24.565 13.288 36 HD12 LEU 5 2HD1 LEU 5 3.512 26.092 12.422 37 HD13 LEU 5 3HD1 LEU 5 4.950 25.205 12.930 38 HD21 LEU 5 3HD2 LEU 5 4.914 22.800 12.352 39 HD22 LEU 5 1HD2 LEU 5 5.882 23.458 11.034 40 HD23 LEU 5 2HD2 LEU 5 4.540 22.369 10.683 41 H GLU 6 H GLU 6 -0.038 24.511 9.105 42 HA GLU 6 HA GLU 6 -1.357 21.990 9.379 43 HB2 GLU 6 2HB GLU 6 -2.574 23.960 9.985 44 HB3 GLU 6 1HB GLU 6 -2.292 24.694 8.406 45 HG2 GLU 6 2HG GLU 6 -3.772 23.224 7.318 46 HG3 GLU 6 1HG GLU 6 -3.720 22.052 8.636 47 H LEU 7 H LEU 7 -0.551 24.066 6.612 48 HA LEU 7 HA LEU 7 -1.799 22.506 4.622 49 HB2 LEU 7 2HB LEU 7 -0.647 24.904 4.571 50 HB3 LEU 7 1HB LEU 7 0.728 23.962 3.991 51 HG LEU 7 HG LEU 7 -1.138 22.865 2.439 52 HD11 LEU 7 1HD1 LEU 7 -2.984 24.163 3.444 53 HD12 LEU 7 2HD1 LEU 7 -2.786 24.562 1.738 54 HD13 LEU 7 3HD1 LEU 7 -2.181 25.663 2.976 55 HD21 LEU 7 3HD2 LEU 7 -0.636 24.848 0.808 56 HD22 LEU 7 1HD2 LEU 7 0.709 23.866 1.387 57 HD23 LEU 7 2HD2 LEU 7 0.389 25.440 2.115 58 H ILE 8 H ILE 8 1.431 22.375 6.055 59 HA ILE 8 HA ILE 8 2.514 20.448 4.278 60 HB ILE 8 HB ILE 8 3.225 21.137 7.136 61 HG12 ILE 8 2HG1 ILE 8 4.632 21.848 4.550 62 HG13 ILE 8 1HG1 ILE 8 3.444 22.903 5.313 63 HG21 ILE 8 1HG2 ILE 8 4.413 19.234 5.138 64 HG22 ILE 8 2HG2 ILE 8 4.197 19.030 6.876 65 HG23 ILE 8 3HG2 ILE 8 5.473 20.081 6.265 66 HD11 ILE 8 3HD1 ILE 8 4.808 23.349 7.141 67 HD12 ILE 8 1HD1 ILE 8 6.015 23.177 5.867 68 HD13 ILE 8 2HD1 ILE 8 5.702 21.838 6.972 69 H THR 9 H THR 9 0.898 20.163 7.428 70 HA THR 9 HA THR 9 1.159 17.386 7.749 71 HB THR 9 HB THR 9 -1.073 19.212 8.675 72 HG1 THR 9 1HG THR 9 0.187 19.146 10.611 73 HG21 THR 9 3HG2 THR 9 -1.230 17.391 10.477 74 HG22 THR 9 1HG2 THR 9 -0.292 16.381 9.377 75 HG23 THR 9 2HG2 THR 9 -1.875 16.988 8.886 76 H LEU 10 H LEU 10 -1.319 19.314 6.101 77 HA LEU 10 HA LEU 10 -3.071 17.192 5.474 78 HB2 LEU 10 2HB LEU 10 -3.183 19.878 5.174 79 HB3 LEU 10 1HB LEU 10 -2.836 19.396 3.514 80 HG LEU 10 HG LEU 10 -4.723 17.592 4.003 81 HD11 LEU 10 1HD1 LEU 10 -5.828 19.848 5.639 82 HD12 LEU 10 2HD1 LEU 10 -4.782 18.666 6.426 83 HD13 LEU 10 3HD1 LEU 10 -6.272 18.141 5.644 84 HD21 LEU 10 3HD2 LEU 10 -5.096 20.522 3.341 85 HD22 LEU 10 1HD2 LEU 10 -6.409 19.351 3.214 86 HD23 LEU 10 2HD2 LEU 10 -4.965 19.166 2.220 87 H THR 11 H THR 11 -0.287 18.554 3.762 88 HA THR 11 HA THR 11 -0.566 17.028 1.392 89 HB THR 11 HB THR 11 1.975 18.133 2.610 90 HG1 THR 11 1HG THR 11 -0.189 19.374 1.775 91 HG21 THR 11 3HG2 THR 11 2.403 16.565 0.800 92 HG22 THR 11 1HG2 THR 11 2.683 18.206 0.215 93 HG23 THR 11 2HG2 THR 11 1.197 17.360 -0.215 94 H VAL 12 H VAL 12 1.170 16.461 4.426 95 HA VAL 12 HA VAL 12 2.530 14.116 3.653 96 HB VAL 12 HB VAL 12 1.514 14.895 6.398 97 HG11 VAL 12 1HG1 VAL 12 3.155 12.672 5.344 98 HG12 VAL 12 2HG1 VAL 12 2.238 12.781 6.847 99 HG13 VAL 12 3HG1 VAL 12 3.842 13.504 6.738 100 HG21 VAL 12 3HG2 VAL 12 3.140 16.457 6.426 101 HG22 VAL 12 1HG2 VAL 12 3.409 16.148 4.711 102 HG23 VAL 12 2HG2 VAL 12 4.341 15.266 5.922 103 H GLY 13 H GLY 13 -0.723 14.659 4.902 104 HA2 GLY 13 2HA GLY 13 -1.357 11.913 5.342 105 HA3 GLY 13 1HA GLY 13 -2.511 13.237 5.215 106 H PHE 14 H PHE 14 -2.047 14.177 2.679 107 HA PHE 14 HA PHE 14 -3.444 12.278 1.081 108 HB2 PHE 14 2HB PHE 14 -3.671 14.733 0.806 109 HB3 PHE 14 1HB PHE 14 -2.011 14.800 0.214 110 HD1 PHE 14 2HD PHE 14 -5.160 12.844 -0.401 111 HD2 PHE 14 1HD PHE 14 -1.689 14.732 -2.089 112 HE1 PHE 14 2HE PHE 14 -5.944 12.253 -2.679 113 HE2 PHE 14 1HE PHE 14 -2.474 14.140 -4.365 114 HZ PHE 14 HZ PHE 14 -4.602 12.900 -4.660 115 H GLY 15 H GLY 15 -0.073 13.141 1.457 116 HA2 GLY 15 2HA GLY 15 0.871 11.832 -0.905 117 HA3 GLY 15 1HA GLY 15 1.853 12.340 0.465 118 H ILE 16 H ILE 16 0.372 10.863 2.450 119 HA ILE 16 HA ILE 16 1.684 8.326 2.194 120 HB ILE 16 HB ILE 16 -0.236 9.462 4.233 121 HG12 ILE 16 2HG1 ILE 16 2.628 8.628 4.649 122 HG13 ILE 16 1HG1 ILE 16 2.259 10.197 3.931 123 HG21 ILE 16 1HG2 ILE 16 0.938 6.712 3.929 124 HG22 ILE 16 2HG2 ILE 16 -0.677 7.181 4.460 125 HG23 ILE 16 3HG2 ILE 16 0.699 7.378 5.544 126 HD11 ILE 16 3HD1 ILE 16 1.326 9.173 6.626 127 HD12 ILE 16 1HD1 ILE 16 0.770 10.677 5.892 128 HD13 ILE 16 2HD1 ILE 16 2.467 10.485 6.334 129 H LEU 17 H LEU 17 -1.607 9.502 1.793 130 HA LEU 17 HA LEU 17 -2.921 7.004 1.687 131 HB2 LEU 17 2HB LEU 17 -3.575 9.767 1.214 132 HB3 LEU 17 1HB LEU 17 -4.244 8.766 -0.076 133 HG LEU 17 HG LEU 17 -4.566 8.139 2.870 134 HD11 LEU 17 1HD1 LEU 17 -5.789 10.143 2.572 135 HD12 LEU 17 2HD1 LEU 17 -6.988 8.872 2.339 136 HD13 LEU 17 3HD1 LEU 17 -6.292 9.694 0.943 137 HD21 LEU 17 3HD2 LEU 17 -6.586 7.082 1.121 138 HD22 LEU 17 1HD2 LEU 17 -5.439 6.199 2.128 139 HD23 LEU 17 2HD2 LEU 17 -5.000 6.654 0.480 140 H ILE 18 H ILE 18 -1.541 9.047 -0.880 141 HA ILE 18 HA ILE 18 -2.213 7.362 -3.043 142 HB ILE 18 HB ILE 18 0.047 9.347 -2.716 143 HG12 ILE 18 2HG1 ILE 18 -2.532 9.619 -4.272 144 HG13 ILE 18 1HG1 ILE 18 -2.404 10.101 -2.581 145 HG21 ILE 18 1HG2 ILE 18 0.762 8.040 -4.521 146 HG22 ILE 18 2HG2 ILE 18 -0.203 9.279 -5.326 147 HG23 ILE 18 3HG2 ILE 18 -0.886 7.677 -5.037 148 HD11 ILE 18 3HD1 ILE 18 -0.216 11.107 -4.270 149 HD12 ILE 18 1HD1 ILE 18 -1.199 11.958 -3.079 150 HD13 ILE 18 2HD1 ILE 18 -1.805 11.725 -4.719 151 H PHE 19 H PHE 19 0.614 7.486 -0.918 152 HA PHE 19 HA PHE 19 2.175 5.573 -2.303 153 HB2 PHE 19 2HB PHE 19 2.745 7.226 -0.308 154 HB3 PHE 19 1HB PHE 19 2.354 5.809 0.668 155 HD1 PHE 19 1HD PHE 19 3.510 3.588 0.083 156 HD2 PHE 19 2HD PHE 19 4.833 7.399 -1.391 157 HE1 PHE 19 1HE PHE 19 5.733 2.616 -0.435 158 HE2 PHE 19 2HE PHE 19 7.056 6.429 -1.908 159 HZ PHE 19 HZ PHE 19 7.505 4.037 -1.431 160 H SER 20 H SER 20 -0.127 5.279 0.386 161 HA SER 20 HA SER 20 0.225 2.475 0.740 162 HB2 SER 20 2HB SER 20 -1.987 2.665 1.962 163 HB3 SER 20 1HB SER 20 -0.707 3.722 2.553 164 HG SER 20 HG SER 20 -2.567 4.534 0.581 165 H LEU 21 H LEU 21 -1.894 4.444 -1.262 166 HA LEU 21 HA LEU 21 -3.690 2.424 -2.071 167 HB2 LEU 21 2HB LEU 21 -4.224 4.731 -2.501 168 HB3 LEU 21 1HB LEU 21 -2.762 4.943 -3.465 169 HG LEU 21 HG LEU 21 -4.446 2.715 -4.376 170 HD11 LEU 21 1HD1 LEU 21 -6.163 4.181 -5.392 171 HD12 LEU 21 2HD1 LEU 21 -5.486 5.562 -4.529 172 HD13 LEU 21 3HD1 LEU 21 -6.230 4.239 -3.632 173 HD21 LEU 21 3HD2 LEU 21 -3.858 3.580 -6.519 174 HD22 LEU 21 1HD2 LEU 21 -2.436 3.846 -5.510 175 HD23 LEU 21 2HD2 LEU 21 -3.528 5.183 -5.866 176 H ILE 22 H ILE 22 -0.571 3.484 -3.376 177 HA ILE 22 HA ILE 22 -0.597 1.819 -5.674 178 HB ILE 22 HB ILE 22 1.698 3.022 -4.112 179 HG12 ILE 22 2HG1 ILE 22 0.604 3.854 -6.801 180 HG13 ILE 22 1HG1 ILE 22 -0.068 4.491 -5.301 181 HG21 ILE 22 1HG2 ILE 22 2.830 2.642 -6.437 182 HG22 ILE 22 2HG2 ILE 22 1.581 1.414 -6.653 183 HG23 ILE 22 3HG2 ILE 22 2.720 1.285 -5.315 184 HD11 ILE 22 3HD1 ILE 22 1.990 5.673 -6.574 185 HD12 ILE 22 1HD1 ILE 22 2.896 4.548 -5.562 186 HD13 ILE 22 2HD1 ILE 22 1.809 5.722 -4.820 187 H VAL 23 H VAL 23 0.530 1.350 -2.360 188 HA VAL 23 HA VAL 23 1.852 -1.117 -2.765 189 HB VAL 23 HB VAL 23 0.527 0.050 -0.308 190 HG11 VAL 23 1HG1 VAL 23 2.405 -1.697 0.608 191 HG12 VAL 23 2HG1 VAL 23 1.842 -2.554 -0.827 192 HG13 VAL 23 3HG1 VAL 23 0.698 -2.102 0.437 193 HG21 VAL 23 3HG2 VAL 23 3.432 -0.214 -0.366 194 HG22 VAL 23 1HG2 VAL 23 2.447 1.211 -0.035 195 HG23 VAL 23 2HG2 VAL 23 2.841 0.778 -1.698 196 H THR 24 H THR 24 -1.450 -0.384 -1.634 197 HA THR 24 HA THR 24 -2.303 -3.065 -1.406 198 HB THR 24 HB THR 24 -3.888 -0.539 -1.921 199 HG1 THR 24 1HG THR 24 -4.258 -0.745 0.328 200 HG21 THR 24 3HG2 THR 24 -5.713 -2.048 -0.833 201 HG22 THR 24 1HG2 THR 24 -4.693 -3.385 -1.366 202 HG23 THR 24 2HG2 THR 24 -5.358 -2.256 -2.548 203 H TYR 25 H TYR 25 -2.208 -0.825 -4.114 204 HA TYR 25 HA TYR 25 -3.850 -2.295 -5.890 205 HB2 TYR 25 2HB TYR 25 -3.244 0.055 -6.281 206 HB3 TYR 25 1HB TYR 25 -1.559 -0.414 -6.508 207 HD1 TYR 25 1HD TYR 25 -4.993 -0.772 -7.883 208 HD2 TYR 25 2HD TYR 25 -0.793 -1.370 -8.563 209 HE1 TYR 25 1HE TYR 25 -5.450 -1.275 -10.268 210 HE2 TYR 25 2HE TYR 25 -1.250 -1.874 -10.947 211 HH TYR 25 HH TYR 25 -4.218 -1.204 -12.429 212 H CYS 26 H CYS 26 -0.315 -2.217 -5.453 213 HA CYS 26 HA CYS 26 0.347 -4.079 -7.445 214 HB2 CYS 26 2HB CYS 26 1.715 -3.426 -4.826 215 HB3 CYS 26 1HB CYS 26 2.425 -4.439 -6.082 216 HG CYS 26 HG CYS 26 1.997 -2.214 -7.679 217 H ILE 27 H ILE 27 -0.672 -4.517 -4.096 218 HA ILE 27 HA ILE 27 -0.118 -7.281 -3.887 219 HB ILE 27 HB ILE 27 -2.218 -5.603 -2.493 220 HG12 ILE 27 2HG1 ILE 27 0.385 -5.153 -2.334 221 HG13 ILE 27 1HG1 ILE 27 -0.607 -5.142 -0.875 222 HG21 ILE 27 1HG2 ILE 27 -1.243 -8.430 -2.120 223 HG22 ILE 27 2HG2 ILE 27 -2.900 -7.828 -2.142 224 HG23 ILE 27 3HG2 ILE 27 -1.864 -7.509 -0.751 225 HD11 ILE 27 3HD1 ILE 27 0.136 -7.257 -0.197 226 HD12 ILE 27 1HD1 ILE 27 1.595 -6.554 -0.895 227 HD13 ILE 27 2HD1 ILE 27 0.640 -7.710 -1.825 228 H ASN 28 H ASN 28 -3.235 -5.635 -4.481 229 HA ASN 28 HA ASN 28 -4.804 -7.855 -4.976 230 HB2 ASN 28 2HB ASN 28 -4.874 -5.046 -6.038 231 HB3 ASN 28 1HB ASN 28 -6.040 -6.242 -6.599 232 HD21 ASN 28 1HD2 ASN 28 -4.631 -5.338 -3.389 233 HD22 ASN 28 2HD2 ASN 28 -6.127 -5.307 -2.589 234 H ALA 29 H ALA 29 -2.594 -6.179 -7.160 235 HA ALA 29 HA ALA 29 -3.320 -7.535 -9.534 236 HB1 ALA 29 1HB ALA 29 -1.573 -5.502 -8.882 237 HB2 ALA 29 2HB ALA 29 -1.717 -6.257 -10.469 238 HB3 ALA 29 3HB ALA 29 -0.489 -6.817 -9.334 239 H LYS 30 H LYS 30 -0.563 -8.084 -7.328 240 HA LYS 30 HA LYS 30 0.534 -10.323 -8.494 241 HB2 LYS 30 2HB LYS 30 0.217 -9.697 -5.550 242 HB3 LYS 30 1HB LYS 30 1.268 -10.962 -6.189 243 HG2 LYS 30 2HG LYS 30 1.571 -8.278 -7.422 244 HG3 LYS 30 1HG LYS 30 2.114 -8.427 -5.750 245 HD2 LYS 30 2HD LYS 30 3.657 -10.151 -6.292 246 HD3 LYS 30 1HD LYS 30 2.921 -10.419 -7.873 247 HE2 LYS 30 2HE LYS 30 3.745 -8.336 -8.712 248 HE3 LYS 30 1HE LYS 30 4.212 -7.795 -7.100 249 HZ1 LYS 30 3HZ LYS 30 5.547 -10.119 -7.343 250 HZ2 LYS 30 1HZ LYS 30 6.209 -8.590 -7.657 251 HZ3 LYS 30 2HZ LYS 30 5.600 -9.530 -8.936 252 H ALA 31 H ALA 31 -2.352 -10.095 -6.493 253 HA ALA 31 HA ALA 31 -2.707 -12.932 -6.219 254 HB1 ALA 31 1HB ALA 31 -4.938 -10.935 -5.976 255 HB2 ALA 31 2HB ALA 31 -3.667 -11.001 -4.756 256 HB3 ALA 31 3HB ALA 31 -4.670 -12.418 -5.061 257 H ASP 32 H ASP 32 -3.832 -10.449 -8.448 258 HA ASP 32 HA ASP 32 -5.691 -12.200 -9.796 259 HB2 ASP 32 2HB ASP 32 -4.601 -9.460 -10.457 260 HB3 ASP 32 1HB ASP 32 -5.775 -10.308 -11.462 261 H VAL 33 H VAL 33 -2.377 -12.009 -9.746 262 HA VAL 33 HA VAL 33 -2.036 -12.743 -12.569 263 HB VAL 33 HB VAL 33 0.052 -12.301 -10.422 264 HG11 VAL 33 1HG1 VAL 33 0.971 -11.868 -13.091 265 HG12 VAL 33 2HG1 VAL 33 0.161 -13.434 -13.047 266 HG13 VAL 33 3HG1 VAL 33 1.498 -13.102 -11.946 267 HG21 VAL 33 3HG2 VAL 33 -0.237 -10.093 -10.762 268 HG22 VAL 33 1HG2 VAL 33 -1.597 -10.443 -11.828 269 HG23 VAL 33 2HG2 VAL 33 0.032 -10.318 -12.491 270 H LEU 34 H LEU 34 -1.526 -14.006 -9.298 271 HA LEU 34 HA LEU 34 -0.770 -16.621 -10.377 272 HB2 LEU 34 2HB LEU 34 -0.763 -15.398 -7.629 273 HB3 LEU 34 1HB LEU 34 -0.607 -17.141 -7.846 274 HG LEU 34 HG LEU 34 1.343 -16.811 -9.297 275 HD11 LEU 34 1HD1 LEU 34 0.653 -13.902 -8.868 276 HD12 LEU 34 2HD1 LEU 34 0.920 -14.754 -10.389 277 HD13 LEU 34 3HD1 LEU 34 2.280 -14.401 -9.325 278 HD21 LEU 34 3HD2 LEU 34 1.197 -15.871 -6.513 279 HD22 LEU 34 1HD2 LEU 34 2.592 -15.249 -7.392 280 HD23 LEU 34 2HD2 LEU 34 2.337 -16.989 -7.262 281 H PHE 35 H PHE 35 -3.143 -15.327 -8.041 282 HA PHE 35 HA PHE 35 -4.720 -17.759 -8.197 283 HB2 PHE 35 2HB PHE 35 -4.963 -15.177 -6.664 284 HB3 PHE 35 1HB PHE 35 -6.276 -16.354 -6.693 285 HD1 PHE 35 1HD PHE 35 -2.628 -15.999 -5.963 286 HD2 PHE 35 2HD PHE 35 -6.220 -18.259 -5.302 287 HE1 PHE 35 1HE PHE 35 -1.463 -17.346 -4.238 288 HE2 PHE 35 2HE PHE 35 -5.055 -19.607 -3.577 289 HZ PHE 35 HZ PHE 35 -2.675 -19.150 -3.045 290 H ILE 36 H ILE 36 -4.378 -16.198 -10.645 291 HA ILE 36 HA ILE 36 -6.308 -14.528 -11.491 292 HB ILE 36 HB ILE 36 -5.477 -17.061 -12.926 293 HG12 ILE 36 2HG1 ILE 36 -4.406 -14.312 -13.477 294 HG13 ILE 36 1HG1 ILE 36 -3.768 -15.212 -12.102 295 HG21 ILE 36 1HG2 ILE 36 -6.054 -15.653 -14.959 296 HG22 ILE 36 2HG2 ILE 36 -6.834 -14.520 -13.857 297 HG23 ILE 36 3HG2 ILE 36 -7.438 -16.170 -13.995 298 HD11 ILE 36 3HD1 ILE 36 -3.939 -16.371 -14.893 299 HD12 ILE 36 1HD1 ILE 36 -3.071 -17.032 -13.507 300 HD13 ILE 36 2HD1 ILE 36 -2.505 -15.548 -14.277 301 H ALA 37 H ALA 37 -7.011 -17.824 -12.456 302 HA ALA 37 HA ALA 37 -9.800 -17.500 -12.339 303 HB1 ALA 37 1HB ALA 37 -9.258 -20.247 -12.022 304 HB2 ALA 37 2HB ALA 37 -7.936 -19.598 -12.992 305 HB3 ALA 37 3HB ALA 37 -9.604 -19.390 -13.524 306 HA PRO 38 HA PRO 38 -10.882 -18.180 -8.146 307 HB2 PRO 38 2HB PRO 38 -13.129 -19.731 -8.358 308 HB3 PRO 38 1HB PRO 38 -13.092 -18.003 -8.760 309 HG2 PRO 38 2HG PRO 38 -13.013 -20.366 -10.561 310 HG3 PRO 38 1HG PRO 38 -13.822 -18.804 -10.777 311 HD2 PRO 38 2HD PRO 38 -11.454 -19.432 -11.999 312 HD3 PRO 38 1HD PRO 38 -11.933 -17.768 -11.597 313 H ARG 39 H ARG 39 -11.901 -20.193 -6.726 314 HA ARG 39 HA ARG 39 -9.757 -22.125 -6.654 315 HB2 ARG 39 2HB ARG 39 -12.238 -21.709 -4.983 316 HB3 ARG 39 1HB ARG 39 -11.120 -23.047 -4.712 317 HG2 ARG 39 2HG ARG 39 -9.407 -21.657 -4.001 318 HG3 ARG 39 1HG ARG 39 -10.002 -20.278 -4.929 319 HD2 ARG 39 2HD ARG 39 -10.296 -20.306 -2.319 320 HD3 ARG 39 1HD ARG 39 -11.612 -19.729 -3.339 321 HE ARG 39 HE ARG 39 -12.086 -22.422 -3.059 322 HH11 ARG 39 1HH2 ARG 39 -11.578 -19.732 -0.944 323 HH12 ARG 39 2HH2 ARG 39 -12.575 -20.362 0.324 324 HH21 ARG 39 1HH1 ARG 39 -13.396 -23.257 -1.401 325 HH22 ARG 39 2HH1 ARG 39 -13.604 -22.360 0.065 326 H GLU 40 H GLU 40 -9.721 -23.921 -7.830 327 HA GLU 40 HA GLU 40 -12.278 -25.059 -8.767 328 HB2 GLU 40 2HB GLU 40 -10.077 -26.308 -10.047 329 HB3 GLU 40 1HB GLU 40 -11.253 -25.198 -10.753 330 HG2 GLU 40 2HG GLU 40 -9.895 -23.279 -9.980 331 HG3 GLU 40 1HG GLU 40 -8.707 -24.399 -9.315 332 HA PRO 41 HA PRO 41 -12.245 -28.824 -6.544 333 HB2 PRO 41 2HB PRO 41 -11.428 -30.239 -9.050 334 HB3 PRO 41 1HB PRO 41 -12.756 -30.603 -7.932 335 HG2 PRO 41 2HG PRO 41 -13.103 -29.359 -10.316 336 HG3 PRO 41 1HG PRO 41 -14.166 -29.124 -8.918 337 HD2 PRO 41 2HD PRO 41 -12.303 -27.209 -10.142 338 HD3 PRO 41 1HD PRO 41 -13.583 -26.921 -8.945 339 H GLY 42 H GLY 42 -10.763 -29.870 -5.292 340 HA2 GLY 42 2HA GLY 42 -8.720 -31.048 -4.914 341 HA3 GLY 42 1HA GLY 42 -8.021 -30.222 -6.305 342 H ALA 43 H ALA 43 -8.551 -27.601 -5.819 343 HA ALA 43 HA ALA 43 -6.563 -26.885 -3.944 344 HB1 ALA 43 1HB ALA 43 -7.365 -24.565 -4.321 345 HB2 ALA 43 2HB ALA 43 -8.743 -25.209 -5.210 346 HB3 ALA 43 3HB ALA 43 -7.108 -25.442 -5.830 347 H VAL 44 H VAL 44 -9.887 -27.635 -3.577 348 HA VAL 44 HA VAL 44 -10.368 -26.095 -1.200 349 HB VAL 44 HB VAL 44 -11.853 -28.567 -2.103 350 HG11 VAL 44 1HG1 VAL 44 -13.716 -27.526 -0.921 351 HG12 VAL 44 2HG1 VAL 44 -12.742 -26.094 -0.586 352 HG13 VAL 44 3HG1 VAL 44 -12.333 -27.636 0.168 353 HG21 VAL 44 3HG2 VAL 44 -12.003 -27.284 -4.037 354 HG22 VAL 44 1HG2 VAL 44 -11.821 -25.763 -3.164 355 HG23 VAL 44 2HG2 VAL 44 -13.355 -26.628 -3.114 356 H SER 45 H SER 45 -9.016 -26.491 0.474 357 HA SER 45 HA SER 45 -7.742 -28.853 1.147 358 HB2 SER 45 2HB SER 45 -6.922 -27.465 2.703 359 HB3 SER 45 1HB SER 45 -8.205 -26.306 2.372 360 HG SER 45 HG SER 45 -8.008 -27.340 4.576 361 H TYR 46 H TYR 46 -8.163 -30.408 2.837 362 HA TYR 46 HA TYR 46 -11.012 -31.120 2.958 363 HB2 TYR 46 2HB TYR 46 -9.621 -33.206 4.099 364 HB3 TYR 46 1HB TYR 46 -10.108 -33.112 2.407 365 HD1 TYR 46 1HD TYR 46 -7.333 -32.490 4.787 366 HD2 TYR 46 2HD TYR 46 -8.510 -32.690 0.661 367 HE1 TYR 46 1HE TYR 46 -4.950 -32.417 4.102 368 HE2 TYR 46 2HE TYR 46 -6.128 -32.615 -0.023 369 HH TYR 46 HH TYR 46 -3.683 -33.340 1.756 Start of MODEL 14 1 H ALA 1 1HT ALA 1 -3.455 30.682 10.193 2 HA ALA 1 HA ALA 1 -2.496 31.094 12.910 3 HB1 ALA 1 2HB ALA 1 -4.505 31.068 13.945 4 HB2 ALA 1 3HB ALA 1 -5.132 29.829 12.857 5 HB3 ALA 1 1HB ALA 1 -5.193 31.528 12.387 6 H SER 2 H SER 2 -1.081 29.444 12.829 7 HA SER 2 HA SER 2 -0.190 27.354 12.427 8 HB2 SER 2 2HB SER 2 -1.862 25.487 13.015 9 HB3 SER 2 1HB SER 2 -1.482 26.660 14.271 10 HG SER 2 HG SER 2 -3.555 26.989 14.302 11 H LYS 3 H LYS 3 -1.740 28.779 10.193 12 HA LYS 3 HA LYS 3 -3.002 26.858 8.564 13 HB2 LYS 3 2HB LYS 3 -2.688 29.530 8.395 14 HB3 LYS 3 1HB LYS 3 -1.463 29.020 7.234 15 HG2 LYS 3 2HG LYS 3 -3.152 27.640 6.063 16 HG3 LYS 3 1HG LYS 3 -4.378 28.181 7.212 17 HD2 LYS 3 2HD LYS 3 -4.319 30.399 6.421 18 HD3 LYS 3 1HD LYS 3 -2.756 30.172 5.636 19 HE2 LYS 3 2HE LYS 3 -5.010 28.441 4.729 20 HE3 LYS 3 1HE LYS 3 -5.044 30.137 4.245 21 HZ1 LYS 3 3HZ LYS 3 -2.544 28.631 3.951 22 HZ2 LYS 3 1HZ LYS 3 -3.138 29.926 3.029 23 HZ3 LYS 3 2HZ LYS 3 -3.787 28.370 2.822 24 H GLU 4 H GLU 4 0.381 27.899 8.783 25 HA GLU 4 HA GLU 4 1.375 26.432 6.599 26 HB2 GLU 4 2HB GLU 4 2.896 26.976 9.149 27 HB3 GLU 4 1HB GLU 4 3.540 26.811 7.516 28 HG2 GLU 4 2HG GLU 4 1.996 28.828 6.949 29 HG3 GLU 4 1HG GLU 4 1.957 29.085 8.692 30 H LEU 5 H LEU 5 1.277 25.584 10.062 31 HA LEU 5 HA LEU 5 2.382 23.020 9.849 32 HB2 LEU 5 2HB LEU 5 0.449 24.255 11.804 33 HB3 LEU 5 1HB LEU 5 1.004 22.590 11.975 34 HG LEU 5 HG LEU 5 3.105 24.640 11.495 35 HD11 LEU 5 1HD1 LEU 5 3.063 24.874 14.138 36 HD12 LEU 5 2HD1 LEU 5 1.339 24.576 13.919 37 HD13 LEU 5 3HD1 LEU 5 2.106 25.954 13.126 38 HD21 LEU 5 3HD2 LEU 5 3.000 22.461 13.582 39 HD22 LEU 5 1HD2 LEU 5 4.415 23.168 12.802 40 HD23 LEU 5 2HD2 LEU 5 3.353 22.092 11.894 41 H GLU 6 H GLU 6 -0.999 24.091 9.641 42 HA GLU 6 HA GLU 6 -2.139 21.515 9.383 43 HB2 GLU 6 2HB GLU 6 -3.318 23.736 9.891 44 HB3 GLU 6 1HB GLU 6 -3.282 24.017 8.150 45 HG2 GLU 6 2HG GLU 6 -4.429 21.831 7.808 46 HG3 GLU 6 1HG GLU 6 -4.541 21.645 9.557 47 H LEU 7 H LEU 7 -0.926 23.844 7.012 48 HA LEU 7 HA LEU 7 -1.799 22.526 4.683 49 HB2 LEU 7 2HB LEU 7 -0.935 24.839 4.698 50 HB3 LEU 7 1HB LEU 7 0.677 24.227 5.071 51 HG LEU 7 HG LEU 7 -0.481 22.851 2.780 52 HD11 LEU 7 1HD1 LEU 7 -1.641 24.920 2.326 53 HD12 LEU 7 2HD1 LEU 7 -0.244 24.848 1.250 54 HD13 LEU 7 3HD1 LEU 7 -0.199 25.867 2.690 55 HD21 LEU 7 3HD2 LEU 7 1.910 22.845 3.428 56 HD22 LEU 7 1HD2 LEU 7 1.988 24.583 3.136 57 HD23 LEU 7 2HD2 LEU 7 1.692 23.473 1.796 58 H ILE 8 H ILE 8 1.270 22.308 6.473 59 HA ILE 8 HA ILE 8 2.537 20.459 4.769 60 HB ILE 8 HB ILE 8 2.858 20.965 7.733 61 HG12 ILE 8 2HG1 ILE 8 4.666 21.736 5.432 62 HG13 ILE 8 1HG1 ILE 8 3.374 22.790 6.008 63 HG21 ILE 8 1HG2 ILE 8 4.375 19.198 5.810 64 HG22 ILE 8 2HG2 ILE 8 3.741 18.788 7.404 65 HG23 ILE 8 3HG2 ILE 8 5.140 19.853 7.259 66 HD11 ILE 8 3HD1 ILE 8 4.428 23.222 8.015 67 HD12 ILE 8 1HD1 ILE 8 5.848 22.947 7.006 68 HD13 ILE 8 2HD1 ILE 8 5.242 21.657 8.044 69 H THR 9 H THR 9 0.387 20.013 7.542 70 HA THR 9 HA THR 9 0.634 17.245 7.856 71 HB THR 9 HB THR 9 -1.855 18.932 8.234 72 HG1 THR 9 1HG THR 9 -1.073 19.136 10.340 73 HG21 THR 9 3HG2 THR 9 -2.793 16.950 8.758 74 HG22 THR 9 1HG2 THR 9 -1.721 16.912 10.158 75 HG23 THR 9 2HG2 THR 9 -1.242 16.116 8.658 76 H LEU 10 H LEU 10 -1.705 19.085 5.884 77 HA LEU 10 HA LEU 10 -3.081 16.909 4.795 78 HB2 LEU 10 2HB LEU 10 -2.893 19.742 4.318 79 HB3 LEU 10 1HB LEU 10 -2.906 18.880 2.778 80 HG LEU 10 HG LEU 10 -4.924 17.644 3.481 81 HD11 LEU 10 1HD1 LEU 10 -5.207 17.451 5.722 82 HD12 LEU 10 2HD1 LEU 10 -5.921 19.061 5.640 83 HD13 LEU 10 3HD1 LEU 10 -4.216 18.873 6.051 84 HD21 LEU 10 3HD2 LEU 10 -6.484 19.503 3.328 85 HD22 LEU 10 1HD2 LEU 10 -5.089 19.862 2.311 86 HD23 LEU 10 2HD2 LEU 10 -5.251 20.632 3.889 87 H THR 11 H THR 11 -0.123 18.517 3.700 88 HA THR 11 HA THR 11 0.201 17.159 1.269 89 HB THR 11 HB THR 11 2.331 18.177 3.166 90 HG1 THR 11 1HG THR 11 2.090 20.056 2.127 91 HG21 THR 11 3HG2 THR 11 3.325 16.676 1.559 92 HG22 THR 11 1HG2 THR 11 3.670 18.324 1.035 93 HG23 THR 11 2HG2 THR 11 2.399 17.395 0.241 94 H VAL 12 H VAL 12 1.404 16.350 4.521 95 HA VAL 12 HA VAL 12 2.731 13.964 3.744 96 HB VAL 12 HB VAL 12 1.582 14.625 6.461 97 HG11 VAL 12 1HG1 VAL 12 3.822 12.828 5.496 98 HG12 VAL 12 2HG1 VAL 12 2.337 12.336 6.311 99 HG13 VAL 12 3HG1 VAL 12 3.564 13.246 7.190 100 HG21 VAL 12 3HG2 VAL 12 3.681 15.909 4.910 101 HG22 VAL 12 1HG2 VAL 12 4.323 15.217 6.401 102 HG23 VAL 12 2HG2 VAL 12 3.000 16.380 6.467 103 H GLY 13 H GLY 13 -0.566 14.700 4.577 104 HA2 GLY 13 2HA GLY 13 -1.427 12.019 5.073 105 HA3 GLY 13 1HA GLY 13 -2.465 13.410 4.786 106 H PHE 14 H PHE 14 -1.613 14.208 2.306 107 HA PHE 14 HA PHE 14 -2.962 12.341 0.611 108 HB2 PHE 14 2HB PHE 14 -3.229 14.684 0.134 109 HB3 PHE 14 1HB PHE 14 -1.483 14.916 0.031 110 HD1 PHE 14 2HD PHE 14 -4.429 13.388 -1.621 111 HD2 PHE 14 1HD PHE 14 -0.239 14.282 -1.932 112 HE1 PHE 14 2HE PHE 14 -4.483 12.805 -4.030 113 HE2 PHE 14 1HE PHE 14 -0.293 13.698 -4.342 114 HZ PHE 14 HZ PHE 14 -2.416 12.960 -5.390 115 H GLY 15 H GLY 15 0.355 13.174 1.318 116 HA2 GLY 15 2HA GLY 15 1.525 11.831 -0.918 117 HA3 GLY 15 1HA GLY 15 2.356 12.308 0.560 118 H ILE 16 H ILE 16 0.652 10.879 2.369 119 HA ILE 16 HA ILE 16 1.931 8.324 2.233 120 HB ILE 16 HB ILE 16 -0.189 9.478 4.047 121 HG12 ILE 16 2HG1 ILE 16 2.370 10.125 4.013 122 HG13 ILE 16 1HG1 ILE 16 1.552 9.846 5.550 123 HG21 ILE 16 1HG2 ILE 16 -0.686 7.178 4.127 124 HG22 ILE 16 2HG2 ILE 16 0.440 7.398 5.465 125 HG23 ILE 16 3HG2 ILE 16 1.005 6.711 3.943 126 HD11 ILE 16 3HD1 ILE 16 3.831 8.669 5.135 127 HD12 ILE 16 1HD1 ILE 16 2.904 7.576 4.112 128 HD13 ILE 16 2HD1 ILE 16 2.511 7.724 5.819 129 H LEU 17 H LEU 17 -1.246 9.545 1.513 130 HA LEU 17 HA LEU 17 -2.575 7.063 1.219 131 HB2 LEU 17 2HB LEU 17 -3.108 9.874 0.496 132 HB3 LEU 17 1HB LEU 17 -3.889 8.681 -0.543 133 HG LEU 17 HG LEU 17 -4.012 8.405 2.457 134 HD11 LEU 17 1HD1 LEU 17 -5.967 9.953 0.728 135 HD12 LEU 17 2HD1 LEU 17 -4.826 10.686 1.855 136 HD13 LEU 17 3HD1 LEU 17 -6.115 9.646 2.458 137 HD21 LEU 17 3HD2 LEU 17 -5.588 6.803 2.009 138 HD22 LEU 17 1HD2 LEU 17 -4.777 6.745 0.443 139 HD23 LEU 17 2HD2 LEU 17 -6.250 7.696 0.639 140 H ILE 18 H ILE 18 -0.777 9.082 -1.073 141 HA ILE 18 HA ILE 18 -1.350 7.502 -3.361 142 HB ILE 18 HB ILE 18 0.933 9.393 -2.762 143 HG12 ILE 18 2HG1 ILE 18 -1.605 10.110 -2.925 144 HG13 ILE 18 1HG1 ILE 18 -0.360 11.069 -3.720 145 HG21 ILE 18 1HG2 ILE 18 1.769 8.077 -4.514 146 HG22 ILE 18 2HG2 ILE 18 1.002 9.419 -5.362 147 HG23 ILE 18 3HG2 ILE 18 0.178 7.863 -5.242 148 HD11 ILE 18 3HD1 ILE 18 -2.465 10.434 -5.095 149 HD12 ILE 18 1HD1 ILE 18 -1.748 8.827 -5.189 150 HD13 ILE 18 2HD1 ILE 18 -0.890 10.212 -5.852 151 H PHE 19 H PHE 19 1.244 7.458 -0.963 152 HA PHE 19 HA PHE 19 2.894 5.563 -2.247 153 HB2 PHE 19 2HB PHE 19 3.952 6.632 -0.482 154 HB3 PHE 19 1HB PHE 19 2.550 6.492 0.579 155 HD1 PHE 19 1HD PHE 19 5.139 4.432 -1.172 156 HD2 PHE 19 2HD PHE 19 2.410 4.735 2.131 157 HE1 PHE 19 1HE PHE 19 6.076 2.348 -0.207 158 HE2 PHE 19 2HE PHE 19 3.346 2.651 3.096 159 HZ PHE 19 HZ PHE 19 5.179 1.457 1.928 160 H SER 20 H SER 20 0.296 5.172 0.152 161 HA SER 20 HA SER 20 0.508 2.344 0.293 162 HB2 SER 20 2HB SER 20 -1.721 2.466 1.373 163 HB3 SER 20 1HB SER 20 -0.571 3.602 2.071 164 HG SER 20 HG SER 20 -1.927 5.103 1.537 165 H LEU 21 H LEU 21 -1.602 4.501 -1.596 166 HA LEU 21 HA LEU 21 -3.255 2.615 -2.755 167 HB2 LEU 21 2HB LEU 21 -3.506 5.073 -2.956 168 HB3 LEU 21 1HB LEU 21 -2.114 5.110 -4.033 169 HG LEU 21 HG LEU 21 -3.895 3.090 -4.962 170 HD11 LEU 21 1HD1 LEU 21 -5.607 4.403 -3.673 171 HD12 LEU 21 2HD1 LEU 21 -5.908 4.354 -5.410 172 HD13 LEU 21 3HD1 LEU 21 -5.214 5.799 -4.674 173 HD21 LEU 21 3HD2 LEU 21 -2.231 4.435 -6.261 174 HD22 LEU 21 1HD2 LEU 21 -3.289 5.836 -6.091 175 HD23 LEU 21 2HD2 LEU 21 -3.833 4.424 -6.998 176 H ILE 22 H ILE 22 -0.018 3.695 -3.709 177 HA ILE 22 HA ILE 22 0.114 2.220 -6.128 178 HB ILE 22 HB ILE 22 2.262 3.307 -4.301 179 HG12 ILE 22 2HG1 ILE 22 1.548 4.209 -7.089 180 HG13 ILE 22 1HG1 ILE 22 0.627 4.786 -5.700 181 HG21 ILE 22 1HG2 ILE 22 2.419 1.712 -6.842 182 HG22 ILE 22 2HG2 ILE 22 3.433 1.615 -5.403 183 HG23 ILE 22 3HG2 ILE 22 3.623 2.961 -6.528 184 HD11 ILE 22 3HD1 ILE 22 3.625 5.049 -6.084 185 HD12 ILE 22 1HD1 ILE 22 2.738 5.574 -4.654 186 HD13 ILE 22 2HD1 ILE 22 2.444 6.353 -6.207 187 H VAL 23 H VAL 23 1.037 1.473 -2.799 188 HA VAL 23 HA VAL 23 2.269 -1.029 -3.395 189 HB VAL 23 HB VAL 23 1.105 0.059 -0.821 190 HG11 VAL 23 1HG1 VAL 23 2.254 -2.554 -1.551 191 HG12 VAL 23 2HG1 VAL 23 1.281 -2.104 -0.149 192 HG13 VAL 23 3HG1 VAL 23 3.018 -1.798 -0.153 193 HG21 VAL 23 3HG2 VAL 23 3.075 1.250 -1.924 194 HG22 VAL 23 1HG2 VAL 23 3.997 -0.233 -1.671 195 HG23 VAL 23 2HG2 VAL 23 3.365 0.662 -0.288 196 H THR 24 H THR 24 -0.973 -0.087 -2.310 197 HA THR 24 HA THR 24 -2.008 -2.700 -2.014 198 HB THR 24 HB THR 24 -3.501 -0.167 -2.739 199 HG1 THR 24 1HG THR 24 -3.838 -0.553 -0.278 200 HG21 THR 24 3HG2 THR 24 -5.320 -1.484 -2.725 201 HG22 THR 24 1HG2 THR 24 -4.967 -1.915 -1.051 202 HG23 THR 24 2HG2 THR 24 -4.322 -2.895 -2.368 203 H TYR 25 H TYR 25 -1.613 -0.579 -4.773 204 HA TYR 25 HA TYR 25 -3.328 -1.949 -6.569 205 HB2 TYR 25 2HB TYR 25 -2.436 0.346 -6.953 206 HB3 TYR 25 1HB TYR 25 -0.839 -0.352 -7.221 207 HD1 TYR 25 2HD TYR 25 -4.383 -0.617 -8.396 208 HD2 TYR 25 1HD TYR 25 -0.224 -1.067 -9.377 209 HE1 TYR 25 2HE TYR 25 -4.988 -1.078 -10.756 210 HE2 TYR 25 1HE TYR 25 -0.830 -1.527 -11.736 211 HH TYR 25 HH TYR 25 -4.138 -1.181 -12.885 212 H CYS 26 H CYS 26 0.201 -2.117 -6.083 213 HA CYS 26 HA CYS 26 0.692 -4.160 -7.960 214 HB2 CYS 26 2HB CYS 26 2.174 -3.347 -5.451 215 HB3 CYS 26 1HB CYS 26 2.781 -4.543 -6.596 216 HG CYS 26 HG CYS 26 3.181 -1.670 -6.969 217 H ILE 27 H ILE 27 -0.232 -4.246 -4.556 218 HA ILE 27 HA ILE 27 0.132 -7.047 -4.194 219 HB ILE 27 HB ILE 27 -1.533 -4.998 -2.724 220 HG12 ILE 27 2HG1 ILE 27 0.943 -6.516 -1.859 221 HG13 ILE 27 1HG1 ILE 27 1.017 -4.944 -2.658 222 HG21 ILE 27 1HG2 ILE 27 -1.277 -7.970 -2.383 223 HG22 ILE 27 2HG2 ILE 27 -2.697 -6.943 -2.184 224 HG23 ILE 27 3HG2 ILE 27 -1.438 -6.954 -0.951 225 HD11 ILE 27 3HD1 ILE 27 1.046 -4.896 -0.103 226 HD12 ILE 27 1HD1 ILE 27 -0.637 -5.421 -0.170 227 HD13 ILE 27 2HD1 ILE 27 -0.166 -3.876 -0.879 228 H ASN 28 H ASN 28 -2.723 -5.060 -4.955 229 HA ASN 28 HA ASN 28 -4.651 -7.063 -4.985 230 HB2 ASN 28 2HB ASN 28 -4.372 -4.534 -6.609 231 HB3 ASN 28 1HB ASN 28 -5.789 -5.578 -6.719 232 HD21 ASN 28 1HD2 ASN 28 -6.429 -6.282 -4.197 233 HD22 ASN 28 2HD2 ASN 28 -6.636 -4.931 -3.190 234 H ALA 29 H ALA 29 -2.350 -6.101 -7.492 235 HA ALA 29 HA ALA 29 -3.399 -7.742 -9.552 236 HB1 ALA 29 1HB ALA 29 -1.034 -7.496 -10.498 237 HB2 ALA 29 2HB ALA 29 -0.692 -6.507 -9.078 238 HB3 ALA 29 3HB ALA 29 -1.936 -6.006 -10.224 239 H LYS 30 H LYS 30 -0.753 -8.231 -7.244 240 HA LYS 30 HA LYS 30 0.001 -10.800 -8.127 241 HB2 LYS 30 2HB LYS 30 0.227 -9.622 -5.345 242 HB3 LYS 30 1HB LYS 30 1.125 -11.011 -5.959 243 HG2 LYS 30 2HG LYS 30 1.267 -8.507 -7.570 244 HG3 LYS 30 1HG LYS 30 2.126 -8.511 -6.031 245 HD2 LYS 30 2HD LYS 30 2.416 -10.825 -7.935 246 HD3 LYS 30 1HD LYS 30 3.364 -9.357 -8.173 247 HE2 LYS 30 2HE LYS 30 3.347 -10.381 -5.398 248 HE3 LYS 30 1HE LYS 30 4.139 -11.430 -6.573 249 HZ1 LYS 30 3HZ LYS 30 5.772 -9.951 -6.938 250 HZ2 LYS 30 1HZ LYS 30 5.349 -9.381 -5.397 251 HZ3 LYS 30 2HZ LYS 30 4.752 -8.601 -6.783 252 H ALA 31 H ALA 31 -2.638 -9.690 -6.177 253 HA ALA 31 HA ALA 31 -3.228 -12.323 -5.107 254 HB1 ALA 31 1HB ALA 31 -4.007 -9.605 -4.529 255 HB2 ALA 31 2HB ALA 31 -4.173 -11.046 -3.525 256 HB3 ALA 31 3HB ALA 31 -5.430 -10.632 -4.692 257 H ASP 32 H ASP 32 -4.479 -10.128 -7.545 258 HA ASP 32 HA ASP 32 -6.809 -11.531 -8.221 259 HB2 ASP 32 2HB ASP 32 -5.032 -9.678 -9.786 260 HB3 ASP 32 1HB ASP 32 -6.480 -10.395 -10.491 261 H VAL 33 H VAL 33 -3.489 -12.026 -9.087 262 HA VAL 33 HA VAL 33 -3.742 -13.655 -11.336 263 HB VAL 33 HB VAL 33 -1.725 -13.876 -9.085 264 HG11 VAL 33 1HG1 VAL 33 -1.776 -14.960 -11.915 265 HG12 VAL 33 2HG1 VAL 33 -1.644 -15.882 -10.416 266 HG13 VAL 33 3HG1 VAL 33 -0.308 -14.860 -10.944 267 HG21 VAL 33 3HG2 VAL 33 -2.200 -11.766 -10.842 268 HG22 VAL 33 1HG2 VAL 33 -0.893 -12.665 -11.611 269 HG23 VAL 33 2HG2 VAL 33 -0.699 -12.063 -9.966 270 H LEU 34 H LEU 34 -4.657 -14.257 -8.082 271 HA LEU 34 HA LEU 34 -4.512 -17.111 -8.146 272 HB2 LEU 34 2HB LEU 34 -6.127 -15.279 -6.371 273 HB3 LEU 34 1HB LEU 34 -5.806 -16.985 -6.060 274 HG LEU 34 HG LEU 34 -3.691 -14.831 -6.333 275 HD11 LEU 34 1HD1 LEU 34 -3.448 -14.948 -3.957 276 HD12 LEU 34 2HD1 LEU 34 -4.541 -16.328 -3.851 277 HD13 LEU 34 3HD1 LEU 34 -5.169 -14.736 -4.281 278 HD21 LEU 34 3HD2 LEU 34 -3.643 -17.793 -6.106 279 HD22 LEU 34 1HD2 LEU 34 -2.477 -16.915 -5.115 280 HD23 LEU 34 2HD2 LEU 34 -2.490 -16.702 -6.865 281 H PHE 35 H PHE 35 -7.092 -14.786 -8.460 282 HA PHE 35 HA PHE 35 -9.088 -16.783 -9.014 283 HB2 PHE 35 2HB PHE 35 -9.116 -13.772 -9.157 284 HB3 PHE 35 1HB PHE 35 -10.496 -14.751 -9.637 285 HD1 PHE 35 2HD PHE 35 -8.301 -13.807 -6.821 286 HD2 PHE 35 1HD PHE 35 -11.860 -15.904 -8.001 287 HE1 PHE 35 2HE PHE 35 -8.965 -14.021 -4.441 288 HE2 PHE 35 1HE PHE 35 -12.524 -16.118 -5.621 289 HZ PHE 35 HZ PHE 35 -11.078 -15.176 -3.842 290 H ILE 36 H ILE 36 -6.693 -15.319 -10.830 291 HA ILE 36 HA ILE 36 -8.129 -15.683 -13.366 292 HB ILE 36 HB ILE 36 -5.463 -14.382 -12.806 293 HG12 ILE 36 2HG1 ILE 36 -8.038 -13.094 -13.719 294 HG13 ILE 36 1HG1 ILE 36 -7.621 -13.240 -12.014 295 HG21 ILE 36 1HG2 ILE 36 -5.206 -14.989 -15.017 296 HG22 ILE 36 2HG2 ILE 36 -6.151 -13.518 -15.254 297 HG23 ILE 36 3HG2 ILE 36 -6.945 -15.093 -15.298 298 HD11 ILE 36 3HD1 ILE 36 -5.846 -11.932 -14.093 299 HD12 ILE 36 1HD1 ILE 36 -5.574 -11.975 -12.351 300 HD13 ILE 36 2HD1 ILE 36 -6.923 -11.049 -13.010 301 H ALA 37 H ALA 37 -4.745 -16.106 -12.500 302 HA ALA 37 HA ALA 37 -4.720 -18.620 -14.009 303 HB1 ALA 37 1HB ALA 37 -2.729 -17.883 -14.714 304 HB2 ALA 37 2HB ALA 37 -2.122 -17.990 -13.060 305 HB3 ALA 37 3HB ALA 37 -2.845 -16.489 -13.641 306 HA PRO 38 HA PRO 38 -4.362 -21.186 -10.449 307 HB2 PRO 38 2HB PRO 38 -2.514 -23.050 -11.222 308 HB3 PRO 38 1HB PRO 38 -4.173 -23.003 -11.848 309 HG2 PRO 38 2HG PRO 38 -1.651 -22.029 -13.092 310 HG3 PRO 38 1HG PRO 38 -3.032 -22.856 -13.835 311 HD2 PRO 38 2HD PRO 38 -2.646 -20.148 -14.022 312 HD3 PRO 38 1HD PRO 38 -4.256 -20.904 -14.058 313 H ARG 39 H ARG 39 -2.887 -22.000 -8.743 314 HA ARG 39 HA ARG 39 -1.051 -20.026 -7.893 315 HB2 ARG 39 2HB ARG 39 -2.244 -22.375 -6.813 316 HB3 ARG 39 1HB ARG 39 -0.499 -22.503 -6.584 317 HG2 ARG 39 2HG ARG 39 -0.465 -20.237 -5.594 318 HG3 ARG 39 1HG ARG 39 -2.214 -20.131 -5.796 319 HD2 ARG 39 2HD ARG 39 -2.077 -22.475 -4.480 320 HD3 ARG 39 1HD ARG 39 -0.623 -21.712 -3.844 321 HE ARG 39 HE ARG 39 -2.537 -19.776 -3.591 322 HH11 ARG 39 1HH2 ARG 39 -2.255 -23.100 -2.673 323 HH12 ARG 39 2HH2 ARG 39 -3.246 -22.938 -1.262 324 HH21 ARG 39 1HH1 ARG 39 -3.838 -19.555 -1.742 325 HH22 ARG 39 2HH1 ARG 39 -4.144 -20.931 -0.735 326 H GLU 40 H GLU 40 1.201 -20.070 -7.733 327 HA GLU 40 HA GLU 40 2.599 -20.976 -9.940 328 HB2 GLU 40 2HB GLU 40 3.528 -20.208 -7.181 329 HB3 GLU 40 1HB GLU 40 4.659 -20.630 -8.466 330 HG2 GLU 40 2HG GLU 40 2.535 -18.684 -9.185 331 HG3 GLU 40 1HG GLU 40 3.771 -18.108 -8.068 332 HA PRO 41 HA PRO 41 3.259 -25.297 -9.156 333 HB2 PRO 41 2HB PRO 41 5.645 -25.691 -10.452 334 HB3 PRO 41 1HB PRO 41 4.093 -25.501 -11.289 335 HG2 PRO 41 2HG PRO 41 6.256 -23.506 -10.841 336 HG3 PRO 41 1HG PRO 41 5.252 -23.781 -12.277 337 HD2 PRO 41 2HD PRO 41 4.771 -21.744 -10.530 338 HD3 PRO 41 1HD PRO 41 3.474 -22.549 -11.444 339 H GLY 42 H GLY 42 4.971 -22.917 -7.665 340 HA2 GLY 42 2HA GLY 42 6.406 -22.836 -5.868 341 HA3 GLY 42 1HA GLY 42 5.898 -24.491 -5.537 342 H ALA 43 H ALA 43 7.156 -24.184 -8.649 343 HA ALA 43 HA ALA 43 9.117 -24.855 -9.642 344 HB1 ALA 43 1HB ALA 43 9.904 -23.053 -7.805 345 HB2 ALA 43 2HB ALA 43 11.041 -23.939 -8.822 346 HB3 ALA 43 3HB ALA 43 10.723 -24.482 -7.174 347 H VAL 44 H VAL 44 11.058 -26.426 -9.257 348 HA VAL 44 HA VAL 44 10.099 -28.974 -8.801 349 HB VAL 44 HB VAL 44 12.926 -27.950 -8.456 350 HG11 VAL 44 1HG1 VAL 44 13.337 -30.460 -9.115 351 HG12 VAL 44 2HG1 VAL 44 11.717 -30.702 -8.465 352 HG13 VAL 44 3HG1 VAL 44 12.992 -30.052 -7.435 353 HG21 VAL 44 3HG2 VAL 44 11.985 -27.546 -10.688 354 HG22 VAL 44 1HG2 VAL 44 11.463 -29.228 -10.790 355 HG23 VAL 44 2HG2 VAL 44 13.183 -28.836 -10.767 356 H SER 45 H SER 45 8.942 -29.329 -6.954 357 HA SER 45 HA SER 45 10.093 -28.628 -4.361 358 HB2 SER 45 2HB SER 45 7.968 -29.126 -3.443 359 HB3 SER 45 1HB SER 45 7.624 -28.339 -4.982 360 HG SER 45 HG SER 45 7.725 -30.681 -5.758 361 H TYR 46 H TYR 46 11.480 -29.987 -3.441 362 HA TYR 46 HA TYR 46 11.486 -32.813 -4.163 363 HB2 TYR 46 2HB TYR 46 13.526 -32.863 -2.689 364 HB3 TYR 46 1HB TYR 46 13.644 -31.757 -4.058 365 HD1 TYR 46 1HD TYR 46 13.245 -32.021 -0.403 366 HD2 TYR 46 2HD TYR 46 13.581 -29.339 -3.742 367 HE1 TYR 46 1HE TYR 46 13.646 -30.133 1.154 368 HE2 TYR 46 2HE TYR 46 13.981 -27.452 -2.184 369 HH TYR 46 HH TYR 46 14.814 -27.120 0.124 Start of MODEL 15 1 H ALA 1 1HT ALA 1 1.665 30.529 12.144 2 HA ALA 1 HA ALA 1 3.546 28.294 11.779 3 HB1 ALA 1 2HB ALA 1 3.887 29.054 13.906 4 HB2 ALA 1 3HB ALA 1 2.446 28.100 14.259 5 HB3 ALA 1 1HB ALA 1 2.309 29.837 13.985 6 H SER 2 H SER 2 0.237 28.840 13.019 7 HA SER 2 HA SER 2 -0.646 26.218 12.961 8 HB2 SER 2 2HB SER 2 -1.832 28.346 13.826 9 HB3 SER 2 1HB SER 2 -2.452 28.497 12.185 10 HG SER 2 HG SER 2 -3.910 27.267 13.290 11 H LYS 3 H LYS 3 -1.107 28.665 10.401 12 HA LYS 3 HA LYS 3 -2.277 26.945 8.518 13 HB2 LYS 3 2HB LYS 3 -2.135 29.498 8.455 14 HB3 LYS 3 1HB LYS 3 -0.505 29.285 7.815 15 HG2 LYS 3 2HG LYS 3 -1.488 29.153 5.781 16 HG3 LYS 3 1HG LYS 3 -2.007 27.541 6.273 17 HD2 LYS 3 2HD LYS 3 -4.081 28.514 7.223 18 HD3 LYS 3 1HD LYS 3 -3.570 30.109 6.673 19 HE2 LYS 3 2HE LYS 3 -4.223 27.699 4.959 20 HE3 LYS 3 1HE LYS 3 -5.074 29.243 5.006 21 HZ1 LYS 3 3HZ LYS 3 -3.632 29.175 3.105 22 HZ2 LYS 3 1HZ LYS 3 -2.293 28.787 4.071 23 HZ3 LYS 3 2HZ LYS 3 -3.027 30.314 4.212 24 H GLU 4 H GLU 4 1.120 27.846 9.040 25 HA GLU 4 HA GLU 4 2.255 26.534 6.860 26 HB2 GLU 4 2HB GLU 4 3.485 26.758 9.615 27 HB3 GLU 4 1HB GLU 4 4.333 26.597 8.078 28 HG2 GLU 4 2HG GLU 4 2.621 28.804 7.750 29 HG3 GLU 4 1HG GLU 4 3.311 28.991 9.361 30 H LEU 5 H LEU 5 1.639 25.294 10.139 31 HA LEU 5 HA LEU 5 2.670 22.699 9.656 32 HB2 LEU 5 2HB LEU 5 0.740 23.778 11.709 33 HB3 LEU 5 1HB LEU 5 1.279 22.098 11.694 34 HG LEU 5 HG LEU 5 3.385 24.201 11.509 35 HD11 LEU 5 1HD1 LEU 5 2.121 25.195 13.268 36 HD12 LEU 5 2HD1 LEU 5 3.372 24.250 14.076 37 HD13 LEU 5 3HD1 LEU 5 1.725 23.626 13.971 38 HD21 LEU 5 3HD2 LEU 5 3.766 21.691 11.498 39 HD22 LEU 5 1HD2 LEU 5 3.196 21.670 13.167 40 HD23 LEU 5 2HD2 LEU 5 4.656 22.566 12.744 41 H GLU 6 H GLU 6 -0.621 24.020 9.533 42 HA GLU 6 HA GLU 6 -2.028 21.673 9.021 43 HB2 GLU 6 2HB GLU 6 -2.667 24.341 9.173 44 HB3 GLU 6 1HB GLU 6 -2.948 23.989 7.467 45 HG2 GLU 6 2HG GLU 6 -5.003 23.507 8.602 46 HG3 GLU 6 1HG GLU 6 -4.266 21.952 8.219 47 H LEU 7 H LEU 7 -0.372 23.854 6.759 48 HA LEU 7 HA LEU 7 -1.152 22.570 4.380 49 HB2 LEU 7 2HB LEU 7 0.754 24.611 5.182 50 HB3 LEU 7 1HB LEU 7 1.418 23.571 3.921 51 HG LEU 7 HG LEU 7 -0.654 23.928 2.579 52 HD11 LEU 7 1HD1 LEU 7 -1.584 26.291 3.932 53 HD12 LEU 7 2HD1 LEU 7 -1.606 24.941 5.063 54 HD13 LEU 7 3HD1 LEU 7 -2.484 24.828 3.538 55 HD21 LEU 7 3HD2 LEU 7 0.768 25.462 1.713 56 HD22 LEU 7 1HD2 LEU 7 1.319 25.977 3.307 57 HD23 LEU 7 2HD2 LEU 7 -0.163 26.647 2.627 58 H ILE 8 H ILE 8 1.714 22.122 6.434 59 HA ILE 8 HA ILE 8 2.929 20.134 4.844 60 HB ILE 8 HB ILE 8 3.145 20.806 7.778 61 HG12 ILE 8 2HG1 ILE 8 4.030 22.262 5.759 62 HG13 ILE 8 1HG1 ILE 8 5.053 22.002 7.172 63 HG21 ILE 8 1HG2 ILE 8 3.751 18.526 7.759 64 HG22 ILE 8 2HG2 ILE 8 5.291 19.358 7.547 65 HG23 ILE 8 3HG2 ILE 8 4.476 18.639 6.156 66 HD11 ILE 8 3HD1 ILE 8 6.076 21.596 4.806 67 HD12 ILE 8 1HD1 ILE 8 5.176 20.086 4.846 68 HD13 ILE 8 2HD1 ILE 8 6.388 20.415 6.075 69 H THR 9 H THR 9 0.603 19.961 7.485 70 HA THR 9 HA THR 9 0.601 17.143 7.775 71 HB THR 9 HB THR 9 -1.482 19.242 8.384 72 HG1 THR 9 1HG THR 9 0.337 17.722 9.928 73 HG21 THR 9 3HG2 THR 9 -1.560 16.263 8.605 74 HG22 THR 9 1HG2 THR 9 -2.857 17.393 8.215 75 HG23 THR 9 2HG2 THR 9 -2.308 17.220 9.883 76 H LEU 10 H LEU 10 -1.387 19.340 5.816 77 HA LEU 10 HA LEU 10 -3.115 17.389 4.757 78 HB2 LEU 10 2HB LEU 10 -2.733 20.162 4.471 79 HB3 LEU 10 1HB LEU 10 -2.573 19.492 2.847 80 HG LEU 10 HG LEU 10 -4.717 18.183 3.319 81 HD11 LEU 10 1HD1 LEU 10 -4.293 19.139 5.897 82 HD12 LEU 10 2HD1 LEU 10 -5.787 18.415 5.300 83 HD13 LEU 10 3HD1 LEU 10 -5.590 20.168 5.285 84 HD21 LEU 10 3HD2 LEU 10 -5.942 20.674 3.383 85 HD22 LEU 10 1HD2 LEU 10 -5.376 19.842 1.934 86 HD23 LEU 10 2HD2 LEU 10 -4.341 21.025 2.733 87 H THR 11 H THR 11 0.007 18.620 3.633 88 HA THR 11 HA THR 11 0.060 17.255 1.165 89 HB THR 11 HB THR 11 2.376 18.090 2.929 90 HG1 THR 11 1HG THR 11 2.254 19.986 1.868 91 HG21 THR 11 3HG2 THR 11 2.165 16.876 0.237 92 HG22 THR 11 1HG2 THR 11 3.504 16.852 1.382 93 HG23 THR 11 2HG2 THR 11 3.244 18.264 0.359 94 H VAL 12 H VAL 12 1.395 16.385 4.350 95 HA VAL 12 HA VAL 12 2.452 13.884 3.519 96 HB VAL 12 HB VAL 12 1.672 14.897 6.262 97 HG11 VAL 12 1HG1 VAL 12 3.053 12.384 5.326 98 HG12 VAL 12 2HG1 VAL 12 1.734 12.545 6.485 99 HG13 VAL 12 3HG1 VAL 12 3.366 13.051 6.927 100 HG21 VAL 12 3HG2 VAL 12 3.640 15.999 6.218 101 HG22 VAL 12 1HG2 VAL 12 3.775 15.589 4.509 102 HG23 VAL 12 2HG2 VAL 12 4.495 14.537 5.727 103 H GLY 13 H GLY 13 -0.712 14.931 4.412 104 HA2 GLY 13 2HA GLY 13 -1.762 12.366 5.133 105 HA3 GLY 13 1HA GLY 13 -2.701 13.812 4.772 106 H PHE 14 H PHE 14 -1.940 14.384 2.212 107 HA PHE 14 HA PHE 14 -3.410 12.411 0.725 108 HB2 PHE 14 2HB PHE 14 -3.666 14.804 0.239 109 HB3 PHE 14 1HB PHE 14 -1.964 14.901 -0.213 110 HD1 PHE 14 1HD PHE 14 -5.081 12.974 -1.012 111 HD2 PHE 14 2HD PHE 14 -1.349 14.548 -2.444 112 HE1 PHE 14 1HE PHE 14 -5.648 12.230 -3.309 113 HE2 PHE 14 2HE PHE 14 -1.916 13.805 -4.740 114 HZ PHE 14 HZ PHE 14 -4.066 12.646 -5.172 115 H GLY 15 H GLY 15 -0.054 13.323 1.122 116 HA2 GLY 15 2HA GLY 15 0.975 11.895 -1.129 117 HA3 GLY 15 1HA GLY 15 1.906 12.444 0.262 118 H ILE 16 H ILE 16 0.333 11.058 2.237 119 HA ILE 16 HA ILE 16 1.626 8.501 2.116 120 HB ILE 16 HB ILE 16 -0.339 9.744 4.035 121 HG12 ILE 16 2HG1 ILE 16 2.238 10.300 3.798 122 HG13 ILE 16 1HG1 ILE 16 1.512 10.113 5.396 123 HG21 ILE 16 1HG2 ILE 16 0.752 6.941 3.912 124 HG22 ILE 16 2HG2 ILE 16 -0.896 7.472 4.246 125 HG23 ILE 16 3HG2 ILE 16 0.357 7.677 5.466 126 HD11 ILE 16 3HD1 ILE 16 2.407 7.967 5.692 127 HD12 ILE 16 1HD1 ILE 16 3.712 8.817 4.872 128 HD13 ILE 16 2HD1 ILE 16 2.669 7.727 3.968 129 H LEU 17 H LEU 17 -1.683 9.645 1.748 130 HA LEU 17 HA LEU 17 -2.963 7.134 1.583 131 HB2 LEU 17 2HB LEU 17 -3.677 9.860 1.193 132 HB3 LEU 17 1HB LEU 17 -4.215 8.964 -0.228 133 HG LEU 17 HG LEU 17 -5.265 7.279 1.322 134 HD11 LEU 17 1HD1 LEU 17 -3.745 8.685 3.237 135 HD12 LEU 17 2HD1 LEU 17 -4.901 7.389 3.544 136 HD13 LEU 17 3HD1 LEU 17 -5.430 9.071 3.591 137 HD21 LEU 17 3HD2 LEU 17 -7.179 8.735 1.918 138 HD22 LEU 17 1HD2 LEU 17 -6.603 9.066 0.285 139 HD23 LEU 17 2HD2 LEU 17 -6.185 10.158 1.607 140 H ILE 18 H ILE 18 -1.496 9.137 -0.951 141 HA ILE 18 HA ILE 18 -2.168 7.435 -3.108 142 HB ILE 18 HB ILE 18 0.071 9.444 -2.777 143 HG12 ILE 18 2HG1 ILE 18 -2.508 10.032 -2.775 144 HG13 ILE 18 1HG1 ILE 18 -1.380 11.007 -3.715 145 HG21 ILE 18 1HG2 ILE 18 -0.822 7.776 -5.124 146 HG22 ILE 18 2HG2 ILE 18 0.815 8.066 -4.537 147 HG23 ILE 18 3HG2 ILE 18 -0.060 9.348 -5.372 148 HD11 ILE 18 3HD1 ILE 18 -2.742 8.612 -4.946 149 HD12 ILE 18 1HD1 ILE 18 -2.005 9.992 -5.751 150 HD13 ILE 18 2HD1 ILE 18 -3.535 10.177 -4.899 151 H PHE 19 H PHE 19 0.621 7.591 -0.953 152 HA PHE 19 HA PHE 19 2.247 5.713 -2.294 153 HB2 PHE 19 2HB PHE 19 3.032 7.219 -0.474 154 HB3 PHE 19 1HB PHE 19 2.113 6.254 0.680 155 HD1 PHE 19 2HD PHE 19 4.576 5.747 -2.113 156 HD2 PHE 19 1HD PHE 19 3.245 4.546 1.792 157 HE1 PHE 19 2HE PHE 19 6.452 4.134 -1.969 158 HE2 PHE 19 1HE PHE 19 5.121 2.934 1.934 159 HZ PHE 19 HZ PHE 19 6.727 2.726 0.055 160 H SER 20 H SER 20 -0.129 5.313 0.321 161 HA SER 20 HA SER 20 0.211 2.505 0.582 162 HB2 SER 20 2HB SER 20 -2.196 2.745 1.587 163 HB3 SER 20 1HB SER 20 -0.828 3.468 2.428 164 HG SER 20 HG SER 20 -1.885 5.082 0.494 165 H LEU 21 H LEU 21 -2.011 4.509 -1.334 166 HA LEU 21 HA LEU 21 -3.655 2.466 -2.274 167 HB2 LEU 21 2HB LEU 21 -4.125 4.899 -2.526 168 HB3 LEU 21 1HB LEU 21 -2.830 5.005 -3.710 169 HG LEU 21 HG LEU 21 -3.992 3.338 -5.115 170 HD11 LEU 21 1HD1 LEU 21 -5.789 3.302 -2.745 171 HD12 LEU 21 2HD1 LEU 21 -5.353 1.994 -3.841 172 HD13 LEU 21 3HD1 LEU 21 -6.562 3.182 -4.326 173 HD21 LEU 21 3HD2 LEU 21 -4.944 5.114 -6.110 174 HD22 LEU 21 1HD2 LEU 21 -4.766 6.023 -4.608 175 HD23 LEU 21 2HD2 LEU 21 -6.239 5.101 -4.912 176 H ILE 22 H ILE 22 -0.569 3.694 -3.454 177 HA ILE 22 HA ILE 22 -0.529 2.196 -5.874 178 HB ILE 22 HB ILE 22 1.690 3.414 -4.224 179 HG12 ILE 22 2HG1 ILE 22 0.651 4.281 -6.923 180 HG13 ILE 22 1HG1 ILE 22 -0.120 4.826 -5.435 181 HG21 ILE 22 1HG2 ILE 22 1.717 1.925 -6.847 182 HG22 ILE 22 2HG2 ILE 22 2.783 1.722 -5.456 183 HG23 ILE 22 3HG2 ILE 22 2.933 3.150 -6.483 184 HD11 ILE 22 3HD1 ILE 22 2.856 5.089 -5.863 185 HD12 ILE 22 1HD1 ILE 22 1.845 5.930 -4.688 186 HD13 ILE 22 2HD1 ILE 22 1.729 6.334 -6.401 187 H VAL 23 H VAL 23 0.580 1.540 -2.591 188 HA VAL 23 HA VAL 23 1.963 -0.875 -3.193 189 HB VAL 23 HB VAL 23 0.725 0.076 -0.599 190 HG11 VAL 23 1HG1 VAL 23 2.889 -1.563 -0.038 191 HG12 VAL 23 2HG1 VAL 23 2.107 -2.384 -1.389 192 HG13 VAL 23 3HG1 VAL 23 1.194 -2.033 0.078 193 HG21 VAL 23 3HG2 VAL 23 2.728 1.276 -1.982 194 HG22 VAL 23 1HG2 VAL 23 3.656 0.082 -1.072 195 HG23 VAL 23 2HG2 VAL 23 2.652 1.255 -0.220 196 H THR 24 H THR 24 -1.310 -0.182 -1.979 197 HA THR 24 HA THR 24 -2.161 -2.861 -1.739 198 HB THR 24 HB THR 24 -3.805 -0.388 -2.331 199 HG1 THR 24 1HG THR 24 -2.375 -1.036 -0.243 200 HG21 THR 24 3HG2 THR 24 -5.359 -2.093 -0.859 201 HG22 THR 24 1HG2 THR 24 -4.461 -3.226 -1.869 202 HG23 THR 24 2HG2 THR 24 -5.425 -1.953 -2.616 203 H TYR 25 H TYR 25 -1.974 -0.668 -4.469 204 HA TYR 25 HA TYR 25 -3.642 -2.134 -6.248 205 HB2 TYR 25 2HB TYR 25 -3.043 0.195 -6.679 206 HB3 TYR 25 1HB TYR 25 -1.344 -0.252 -6.830 207 HD1 TYR 25 1HD TYR 25 -4.705 -0.620 -8.351 208 HD2 TYR 25 2HD TYR 25 -0.489 -1.289 -8.822 209 HE1 TYR 25 1HE TYR 25 -5.059 -1.166 -10.745 210 HE2 TYR 25 2HE TYR 25 -0.843 -1.834 -11.215 211 HH TYR 25 HH TYR 25 -4.061 -1.572 -12.702 212 H CYS 26 H CYS 26 -0.103 -2.052 -5.813 213 HA CYS 26 HA CYS 26 0.536 -3.976 -7.765 214 HB2 CYS 26 2HB CYS 26 1.915 -3.105 -5.227 215 HB3 CYS 26 1HB CYS 26 2.608 -4.324 -6.297 216 HG CYS 26 HG CYS 26 3.099 -2.571 -8.016 217 H ILE 27 H ILE 27 -0.535 -4.284 -4.431 218 HA ILE 27 HA ILE 27 0.056 -7.060 -4.146 219 HB ILE 27 HB ILE 27 -1.807 -5.188 -2.687 220 HG12 ILE 27 2HG1 ILE 27 0.647 -6.639 -1.683 221 HG13 ILE 27 1HG1 ILE 27 0.764 -5.080 -2.502 222 HG21 ILE 27 1HG2 ILE 27 -1.615 -7.281 -1.014 223 HG22 ILE 27 2HG2 ILE 27 -1.512 -8.153 -2.542 224 HG23 ILE 27 3HG2 ILE 27 -2.918 -7.143 -2.195 225 HD11 ILE 27 3HD1 ILE 27 -0.248 -3.941 -0.773 226 HD12 ILE 27 1HD1 ILE 27 0.471 -5.257 0.155 227 HD13 ILE 27 2HD1 ILE 27 -1.231 -5.325 -0.297 228 H ASN 28 H ASN 28 -2.899 -5.275 -5.003 229 HA ASN 28 HA ASN 28 -4.672 -7.409 -5.191 230 HB2 ASN 28 2HB ASN 28 -4.475 -4.752 -6.548 231 HB3 ASN 28 1HB ASN 28 -5.683 -5.910 -7.102 232 HD21 ASN 28 1HD2 ASN 28 -4.613 -5.682 -3.712 233 HD22 ASN 28 2HD2 ASN 28 -6.096 -5.114 -3.114 234 H ALA 29 H ALA 29 -2.369 -6.180 -7.585 235 HA ALA 29 HA ALA 29 -3.159 -7.908 -9.690 236 HB1 ALA 29 1HB ALA 29 -1.053 -7.278 -10.744 237 HB2 ALA 29 2HB ALA 29 -0.462 -6.630 -9.214 238 HB3 ALA 29 3HB ALA 29 -1.818 -5.856 -10.035 239 H LYS 30 H LYS 30 -0.661 -8.139 -7.195 240 HA LYS 30 HA LYS 30 0.507 -10.555 -8.063 241 HB2 LYS 30 2HB LYS 30 0.304 -9.308 -5.316 242 HB3 LYS 30 1HB LYS 30 1.264 -10.747 -5.665 243 HG2 LYS 30 2HG LYS 30 1.794 -8.650 -7.604 244 HG3 LYS 30 1HG LYS 30 2.081 -8.078 -5.962 245 HD2 LYS 30 2HD LYS 30 3.557 -9.965 -5.513 246 HD3 LYS 30 1HD LYS 30 3.200 -10.657 -7.096 247 HE2 LYS 30 2HE LYS 30 4.101 -8.513 -8.117 248 HE3 LYS 30 1HE LYS 30 4.671 -8.078 -6.505 249 HZ1 LYS 30 3HZ LYS 30 6.072 -9.953 -6.439 250 HZ2 LYS 30 1HZ LYS 30 6.318 -9.249 -7.963 251 HZ3 LYS 30 2HZ LYS 30 5.358 -10.644 -7.817 252 H ALA 31 H ALA 31 -2.373 -9.867 -6.199 253 HA ALA 31 HA ALA 31 -2.741 -12.657 -5.453 254 HB1 ALA 31 1HB ALA 31 -3.634 -10.175 -4.441 255 HB2 ALA 31 2HB ALA 31 -3.975 -11.784 -3.805 256 HB3 ALA 31 3HB ALA 31 -5.067 -11.049 -4.980 257 H ASP 32 H ASP 32 -3.617 -10.533 -7.985 258 HA ASP 32 HA ASP 32 -5.970 -11.983 -8.816 259 HB2 ASP 32 2HB ASP 32 -4.327 -9.848 -10.173 260 HB3 ASP 32 1HB ASP 32 -5.797 -10.536 -10.854 261 H VAL 33 H VAL 33 -2.585 -12.222 -9.283 262 HA VAL 33 HA VAL 33 -2.642 -13.647 -11.779 263 HB VAL 33 HB VAL 33 -0.501 -13.522 -9.637 264 HG11 VAL 33 1HG1 VAL 33 -0.052 -15.431 -10.994 265 HG12 VAL 33 2HG1 VAL 33 0.953 -14.142 -11.657 266 HG13 VAL 33 3HG1 VAL 33 -0.547 -14.593 -12.465 267 HG21 VAL 33 3HG2 VAL 33 -1.433 -11.653 -11.664 268 HG22 VAL 33 1HG2 VAL 33 0.253 -12.094 -11.931 269 HG23 VAL 33 2HG2 VAL 33 -0.243 -11.408 -10.386 270 H LEU 34 H LEU 34 -3.210 -14.479 -8.490 271 HA LEU 34 HA LEU 34 -2.807 -17.332 -8.985 272 HB2 LEU 34 2HB LEU 34 -3.320 -15.716 -6.510 273 HB3 LEU 34 1HB LEU 34 -3.430 -17.476 -6.507 274 HG LEU 34 HG LEU 34 -1.117 -17.657 -7.281 275 HD11 LEU 34 1HD1 LEU 34 -0.695 -15.816 -8.648 276 HD12 LEU 34 2HD1 LEU 34 0.182 -15.370 -7.187 277 HD13 LEU 34 3HD1 LEU 34 -1.403 -14.674 -7.504 278 HD21 LEU 34 3HD2 LEU 34 -1.875 -16.246 -4.805 279 HD22 LEU 34 1HD2 LEU 34 -0.186 -16.035 -5.266 280 HD23 LEU 34 2HD2 LEU 34 -0.839 -17.654 -5.024 281 H PHE 35 H PHE 35 -5.321 -15.253 -7.629 282 HA PHE 35 HA PHE 35 -7.347 -17.287 -7.998 283 HB2 PHE 35 2HB PHE 35 -7.400 -14.447 -7.016 284 HB3 PHE 35 1HB PHE 35 -8.868 -15.372 -7.282 285 HD1 PHE 35 1HD PHE 35 -5.578 -15.517 -5.523 286 HD2 PHE 35 2HD PHE 35 -9.652 -16.876 -5.631 287 HE1 PHE 35 1HE PHE 35 -5.259 -16.648 -3.339 288 HE2 PHE 35 2HE PHE 35 -9.334 -18.007 -3.447 289 HZ PHE 35 HZ PHE 35 -7.136 -17.893 -2.301 290 H ILE 36 H ILE 36 -5.958 -16.310 -10.360 291 HA ILE 36 HA ILE 36 -7.086 -14.536 -12.022 292 HB ILE 36 HB ILE 36 -6.540 -17.405 -12.794 293 HG12 ILE 36 2HG1 ILE 36 -4.692 -15.040 -13.088 294 HG13 ILE 36 1HG1 ILE 36 -4.695 -16.029 -11.628 295 HG21 ILE 36 1HG2 ILE 36 -7.509 -16.626 -14.720 296 HG22 ILE 36 2HG2 ILE 36 -5.918 -15.902 -14.958 297 HG23 ILE 36 3HG2 ILE 36 -7.235 -14.937 -14.298 298 HD11 ILE 36 3HD1 ILE 36 -3.944 -17.934 -12.751 299 HD12 ILE 36 1HD1 ILE 36 -3.068 -16.652 -13.588 300 HD13 ILE 36 2HD1 ILE 36 -4.512 -17.355 -14.317 301 H ALA 37 H ALA 37 -8.253 -17.720 -12.786 302 HA ALA 37 HA ALA 37 -10.851 -16.750 -13.423 303 HB1 ALA 37 1HB ALA 37 -11.053 -19.525 -13.227 304 HB2 ALA 37 2HB ALA 37 -9.377 -19.244 -13.688 305 HB3 ALA 37 3HB ALA 37 -10.682 -18.603 -14.685 306 HA PRO 38 HA PRO 38 -13.013 -17.211 -9.626 307 HB2 PRO 38 2HB PRO 38 -15.382 -18.345 -10.441 308 HB3 PRO 38 1HB PRO 38 -14.967 -16.637 -10.685 309 HG2 PRO 38 2HG PRO 38 -14.833 -18.912 -12.601 310 HG3 PRO 38 1HG PRO 38 -15.333 -17.233 -12.871 311 HD2 PRO 38 2HD PRO 38 -12.889 -18.160 -13.605 312 HD3 PRO 38 1HD PRO 38 -13.160 -16.479 -13.105 313 H ARG 39 H ARG 39 -14.216 -18.836 -8.214 314 HA ARG 39 HA ARG 39 -12.666 -21.182 -7.916 315 HB2 ARG 39 2HB ARG 39 -14.983 -19.950 -6.586 316 HB3 ARG 39 1HB ARG 39 -14.935 -21.710 -6.482 317 HG2 ARG 39 2HG ARG 39 -12.773 -21.687 -5.470 318 HG3 ARG 39 1HG ARG 39 -12.529 -19.984 -5.862 319 HD2 ARG 39 2HD ARG 39 -13.119 -20.272 -3.482 320 HD3 ARG 39 1HD ARG 39 -14.357 -19.360 -4.341 321 HE ARG 39 HE ARG 39 -14.963 -22.151 -4.337 322 HH11 ARG 39 1HH2 ARG 39 -14.921 -19.290 -2.392 323 HH12 ARG 39 2HH2 ARG 39 -16.207 -19.809 -1.354 324 HH21 ARG 39 1HH1 ARG 39 -16.650 -22.840 -2.981 325 HH22 ARG 39 2HH1 ARG 39 -17.186 -21.820 -1.688 326 H GLU 40 H GLU 40 -12.755 -23.023 -9.017 327 HA GLU 40 HA GLU 40 -14.458 -23.592 -11.084 328 HB2 GLU 40 2HB GLU 40 -12.726 -25.267 -9.328 329 HB3 GLU 40 1HB GLU 40 -13.839 -26.090 -10.413 330 HG2 GLU 40 2HG GLU 40 -11.645 -25.728 -11.489 331 HG3 GLU 40 1HG GLU 40 -12.918 -24.846 -12.327 332 HA PRO 41 HA PRO 41 -18.334 -24.759 -9.349 333 HB2 PRO 41 2HB PRO 41 -19.095 -26.767 -11.070 334 HB3 PRO 41 1HB PRO 41 -19.166 -25.041 -11.468 335 HG2 PRO 41 2HG PRO 41 -17.115 -27.069 -12.211 336 HG3 PRO 41 1HG PRO 41 -17.806 -25.754 -13.177 337 HD2 PRO 41 2HD PRO 41 -15.359 -25.567 -12.035 338 HD3 PRO 41 1HD PRO 41 -16.411 -24.154 -12.250 339 H GLY 42 H GLY 42 -15.752 -27.005 -9.586 340 HA2 GLY 42 2HA GLY 42 -15.176 -28.562 -7.912 341 HA3 GLY 42 1HA GLY 42 -16.845 -28.545 -7.351 342 H ALA 43 H ALA 43 -18.094 -28.977 -9.868 343 HA ALA 43 HA ALA 43 -18.797 -30.696 -11.219 344 HB1 ALA 43 1HB ALA 43 -16.068 -31.931 -11.056 345 HB2 ALA 43 2HB ALA 43 -16.296 -30.410 -11.921 346 HB3 ALA 43 3HB ALA 43 -17.176 -31.853 -12.427 347 H VAL 44 H VAL 44 -20.067 -32.308 -10.579 348 HA VAL 44 HA VAL 44 -19.549 -33.689 -8.095 349 HB VAL 44 HB VAL 44 -21.758 -34.121 -10.121 350 HG11 VAL 44 1HG1 VAL 44 -21.628 -36.007 -8.654 351 HG12 VAL 44 2HG1 VAL 44 -22.920 -34.986 -8.020 352 HG13 VAL 44 3HG1 VAL 44 -21.334 -34.981 -7.250 353 HG21 VAL 44 3HG2 VAL 44 -22.905 -32.801 -8.053 354 HG22 VAL 44 1HG2 VAL 44 -22.248 -31.975 -9.465 355 HG23 VAL 44 2HG2 VAL 44 -21.288 -32.097 -7.991 356 H SER 45 H SER 45 -18.854 -35.742 -7.809 357 HA SER 45 HA SER 45 -17.492 -37.051 -9.947 358 HB2 SER 45 2HB SER 45 -17.957 -38.837 -7.760 359 HB3 SER 45 1HB SER 45 -16.460 -38.034 -8.223 360 HG SER 45 HG SER 45 -17.293 -37.519 -6.079 361 H TYR 46 H TYR 46 -17.984 -38.976 -11.001 362 HA TYR 46 HA TYR 46 -20.265 -40.567 -10.469 363 HB2 TYR 46 2HB TYR 46 -21.587 -38.718 -11.243 364 HB3 TYR 46 1HB TYR 46 -20.552 -38.495 -12.652 365 HD1 TYR 46 2HD TYR 46 -22.662 -41.112 -10.986 366 HD2 TYR 46 1HD TYR 46 -21.139 -39.517 -14.672 367 HE1 TYR 46 2HE TYR 46 -24.043 -42.731 -12.258 368 HE2 TYR 46 1HE TYR 46 -22.519 -41.136 -15.944 369 HH TYR 46 HH TYR 46 -25.030 -42.910 -14.539 Start of MODEL 16 1 H ALA 1 1HT ALA 1 2.436 30.236 13.187 2 HA ALA 1 HA ALA 1 3.534 29.287 10.596 3 HB1 ALA 1 2HB ALA 1 4.132 27.917 13.154 4 HB2 ALA 1 3HB ALA 1 4.852 29.516 12.967 5 HB3 ALA 1 1HB ALA 1 5.188 28.253 11.783 6 H SER 2 H SER 2 0.907 29.275 12.627 7 HA SER 2 HA SER 2 0.235 26.554 12.872 8 HB2 SER 2 2HB SER 2 -1.900 27.288 13.501 9 HB3 SER 2 1HB SER 2 -0.867 28.647 13.936 10 HG SER 2 HG SER 2 -1.411 29.233 11.566 11 H LYS 3 H LYS 3 -0.213 28.861 10.248 12 HA LYS 3 HA LYS 3 -1.926 27.199 8.677 13 HB2 LYS 3 2HB LYS 3 -0.287 29.660 8.129 14 HB3 LYS 3 1HB LYS 3 -1.080 28.795 6.812 15 HG2 LYS 3 2HG LYS 3 -3.212 29.286 7.589 16 HG3 LYS 3 1HG LYS 3 -2.676 29.458 9.262 17 HD2 LYS 3 2HD LYS 3 -1.527 31.564 8.676 18 HD3 LYS 3 1HD LYS 3 -2.071 31.397 7.008 19 HE2 LYS 3 2HE LYS 3 -4.409 31.512 7.725 20 HE3 LYS 3 1HE LYS 3 -3.906 31.593 9.414 21 HZ1 LYS 3 3HZ LYS 3 -4.380 33.738 7.922 22 HZ2 LYS 3 1HZ LYS 3 -2.718 33.555 7.634 23 HZ3 LYS 3 2HZ LYS 3 -3.288 33.731 9.224 24 H GLU 4 H GLU 4 1.560 27.672 8.891 25 HA GLU 4 HA GLU 4 2.257 26.184 6.575 26 HB2 GLU 4 2HB GLU 4 3.747 26.978 9.069 27 HB3 GLU 4 1HB GLU 4 4.494 25.963 7.834 28 HG2 GLU 4 2HG GLU 4 3.105 28.410 6.874 29 HG3 GLU 4 1HG GLU 4 4.608 28.656 7.760 30 H LEU 5 H LEU 5 2.059 25.306 10.018 31 HA LEU 5 HA LEU 5 2.859 22.624 9.752 32 HB2 LEU 5 2HB LEU 5 1.176 24.094 11.769 33 HB3 LEU 5 1HB LEU 5 1.422 22.351 11.890 34 HG LEU 5 HG LEU 5 3.858 23.978 11.409 35 HD11 LEU 5 1HD1 LEU 5 2.842 25.428 13.029 36 HD12 LEU 5 2HD1 LEU 5 3.993 24.426 13.911 37 HD13 LEU 5 3HD1 LEU 5 2.270 24.062 13.985 38 HD21 LEU 5 3HD2 LEU 5 3.414 21.899 13.540 39 HD22 LEU 5 1HD2 LEU 5 4.881 22.257 12.629 40 HD23 LEU 5 2HD2 LEU 5 3.546 21.409 11.851 41 H GLU 6 H GLU 6 -0.262 24.192 9.321 42 HA GLU 6 HA GLU 6 -1.842 21.839 9.208 43 HB2 GLU 6 2HB GLU 6 -2.180 24.696 8.483 44 HB3 GLU 6 1HB GLU 6 -3.246 23.549 7.671 45 HG2 GLU 6 2HG GLU 6 -4.031 22.680 9.787 46 HG3 GLU 6 1HG GLU 6 -2.838 23.629 10.672 47 H LEU 7 H LEU 7 -0.507 23.892 6.610 48 HA LEU 7 HA LEU 7 -1.340 22.305 4.453 49 HB2 LEU 7 2HB LEU 7 0.915 24.265 4.823 50 HB3 LEU 7 1HB LEU 7 0.705 23.395 3.303 51 HG LEU 7 HG LEU 7 -1.736 24.645 4.441 52 HD11 LEU 7 1HD1 LEU 7 -0.250 26.469 4.868 53 HD12 LEU 7 2HD1 LEU 7 -1.042 26.838 3.336 54 HD13 LEU 7 3HD1 LEU 7 0.607 26.215 3.347 55 HD21 LEU 7 3HD2 LEU 7 -2.186 25.056 2.082 56 HD22 LEU 7 1HD2 LEU 7 -1.628 23.392 2.270 57 HD23 LEU 7 2HD2 LEU 7 -0.529 24.627 1.658 58 H ILE 8 H ILE 8 1.638 22.218 6.378 59 HA ILE 8 HA ILE 8 3.080 20.337 4.920 60 HB ILE 8 HB ILE 8 2.965 20.916 7.878 61 HG12 ILE 8 2HG1 ILE 8 3.949 22.465 5.965 62 HG13 ILE 8 1HG1 ILE 8 4.822 22.260 7.484 63 HG21 ILE 8 1HG2 ILE 8 4.580 18.885 6.342 64 HG22 ILE 8 2HG2 ILE 8 3.720 18.682 7.869 65 HG23 ILE 8 3HG2 ILE 8 5.214 19.616 7.817 66 HD11 ILE 8 3HD1 ILE 8 5.315 20.405 5.160 67 HD12 ILE 8 1HD1 ILE 8 6.362 20.748 6.537 68 HD13 ILE 8 2HD1 ILE 8 6.146 21.956 5.270 69 H THR 9 H THR 9 0.845 19.755 7.641 70 HA THR 9 HA THR 9 0.991 16.931 7.520 71 HB THR 9 HB THR 9 -1.212 18.714 8.587 72 HG1 THR 9 1HG THR 9 -0.096 18.669 10.425 73 HG21 THR 9 3HG2 THR 9 -0.626 15.763 8.915 74 HG22 THR 9 1HG2 THR 9 -2.093 16.500 8.268 75 HG23 THR 9 2HG2 THR 9 -1.707 16.660 9.982 76 H LEU 10 H LEU 10 -1.234 19.279 6.066 77 HA LEU 10 HA LEU 10 -3.116 17.539 4.983 78 HB2 LEU 10 2HB LEU 10 -2.780 20.215 4.917 79 HB3 LEU 10 1HB LEU 10 -2.279 19.813 3.274 80 HG LEU 10 HG LEU 10 -4.894 19.002 4.581 81 HD11 LEU 10 1HD1 LEU 10 -5.711 20.936 3.772 82 HD12 LEU 10 2HD1 LEU 10 -5.157 20.509 2.154 83 HD13 LEU 10 3HD1 LEU 10 -4.089 21.389 3.249 84 HD21 LEU 10 3HD2 LEU 10 -4.454 17.260 3.087 85 HD22 LEU 10 1HD2 LEU 10 -3.553 18.300 1.983 86 HD23 LEU 10 2HD2 LEU 10 -5.313 18.400 2.050 87 H THR 11 H THR 11 -0.029 18.639 3.600 88 HA THR 11 HA THR 11 -0.264 17.256 1.145 89 HB THR 11 HB THR 11 2.191 18.142 2.677 90 HG1 THR 11 1HG THR 11 2.007 19.942 1.490 91 HG21 THR 11 3HG2 THR 11 1.807 16.842 0.008 92 HG22 THR 11 1HG2 THR 11 3.096 16.611 1.189 93 HG23 THR 11 2HG2 THR 11 3.069 18.060 0.186 94 H VAL 12 H VAL 12 1.331 16.384 4.205 95 HA VAL 12 HA VAL 12 2.344 13.893 3.371 96 HB VAL 12 HB VAL 12 1.485 14.778 6.135 97 HG11 VAL 12 1HG1 VAL 12 3.493 13.021 6.529 98 HG12 VAL 12 2HG1 VAL 12 2.806 12.341 5.053 99 HG13 VAL 12 3HG1 VAL 12 1.799 12.531 6.488 100 HG21 VAL 12 3HG2 VAL 12 4.298 14.688 5.062 101 HG22 VAL 12 1HG2 VAL 12 3.660 15.621 6.416 102 HG23 VAL 12 2HG2 VAL 12 3.278 16.096 4.761 103 H GLY 13 H GLY 13 -0.838 14.903 4.357 104 HA2 GLY 13 2HA GLY 13 -1.865 12.294 4.946 105 HA3 GLY 13 1HA GLY 13 -2.816 13.750 4.667 106 H PHE 14 H PHE 14 -2.139 14.470 2.133 107 HA PHE 14 HA PHE 14 -3.604 12.581 0.556 108 HB2 PHE 14 2HB PHE 14 -3.770 14.994 0.145 109 HB3 PHE 14 1HB PHE 14 -2.058 15.049 -0.276 110 HD1 PHE 14 2HD PHE 14 -5.185 13.179 -1.181 111 HD2 PHE 14 1HD PHE 14 -1.452 14.833 -2.516 112 HE1 PHE 14 2HE PHE 14 -5.735 12.538 -3.513 113 HE2 PHE 14 1HE PHE 14 -2.003 14.193 -4.849 114 HZ PHE 14 HZ PHE 14 -4.145 13.046 -5.347 115 H GLY 15 H GLY 15 -0.212 13.372 0.990 116 HA2 GLY 15 2HA GLY 15 0.745 11.908 -1.274 117 HA3 GLY 15 1HA GLY 15 1.714 12.478 0.081 118 H ILE 16 H ILE 16 0.186 11.154 2.127 119 HA ILE 16 HA ILE 16 1.447 8.592 2.080 120 HB ILE 16 HB ILE 16 -0.535 9.900 3.939 121 HG12 ILE 16 2HG1 ILE 16 2.057 10.403 3.720 122 HG13 ILE 16 1HG1 ILE 16 1.310 10.266 5.312 123 HG21 ILE 16 1HG2 ILE 16 0.546 7.084 3.913 124 HG22 ILE 16 2HG2 ILE 16 -1.115 7.623 4.162 125 HG23 ILE 16 3HG2 ILE 16 0.091 7.869 5.425 126 HD11 ILE 16 3HD1 ILE 16 3.491 8.919 4.856 127 HD12 ILE 16 1HD1 ILE 16 2.443 7.835 3.943 128 HD13 ILE 16 2HD1 ILE 16 2.154 8.099 5.663 129 H LEU 17 H LEU 17 -1.853 9.737 1.555 130 HA LEU 17 HA LEU 17 -3.149 7.243 1.476 131 HB2 LEU 17 2HB LEU 17 -3.948 9.847 1.230 132 HB3 LEU 17 1HB LEU 17 -4.142 9.261 -0.424 133 HG LEU 17 HG LEU 17 -5.246 7.858 2.026 134 HD11 LEU 17 1HD1 LEU 17 -6.198 10.199 1.206 135 HD12 LEU 17 2HD1 LEU 17 -7.290 8.894 1.670 136 HD13 LEU 17 3HD1 LEU 17 -6.955 9.200 -0.034 137 HD21 LEU 17 3HD2 LEU 17 -5.628 7.442 -0.956 138 HD22 LEU 17 1HD2 LEU 17 -6.543 6.601 0.296 139 HD23 LEU 17 2HD2 LEU 17 -4.804 6.349 0.155 140 H ILE 18 H ILE 18 -1.726 9.188 -1.149 141 HA ILE 18 HA ILE 18 -2.310 7.427 -3.258 142 HB ILE 18 HB ILE 18 -0.060 9.413 -2.891 143 HG12 ILE 18 2HG1 ILE 18 -2.528 9.555 -4.640 144 HG13 ILE 18 1HG1 ILE 18 -2.497 10.174 -2.989 145 HG21 ILE 18 1HG2 ILE 18 0.879 8.251 -4.619 146 HG22 ILE 18 2HG2 ILE 18 -0.328 9.103 -5.581 147 HG23 ILE 18 3HG2 ILE 18 -0.638 7.454 -5.038 148 HD11 ILE 18 3HD1 ILE 18 -1.090 11.919 -3.520 149 HD12 ILE 18 1HD1 ILE 18 -1.874 11.721 -5.087 150 HD13 ILE 18 2HD1 ILE 18 -0.284 11.015 -4.802 151 H PHE 19 H PHE 19 0.480 7.606 -1.077 152 HA PHE 19 HA PHE 19 2.052 5.626 -2.321 153 HB2 PHE 19 2HB PHE 19 3.345 6.674 -0.771 154 HB3 PHE 19 1HB PHE 19 1.984 6.976 0.309 155 HD1 PHE 19 2HD PHE 19 4.123 4.191 -0.997 156 HD2 PHE 19 1HD PHE 19 1.716 5.670 2.237 157 HE1 PHE 19 2HE PHE 19 4.792 2.246 0.389 158 HE2 PHE 19 1HE PHE 19 2.384 3.727 3.625 159 HZ PHE 19 HZ PHE 19 3.922 2.015 2.701 160 H SER 20 H SER 20 -0.312 5.408 0.331 161 HA SER 20 HA SER 20 -0.044 2.635 0.785 162 HB2 SER 20 2HB SER 20 -1.696 4.769 1.732 163 HB3 SER 20 1HB SER 20 -2.731 3.410 1.298 164 HG SER 20 HG SER 20 -0.478 2.596 2.564 165 H LEU 21 H LEU 21 -2.291 4.477 -1.266 166 HA LEU 21 HA LEU 21 -3.844 2.357 -2.208 167 HB2 LEU 21 2HB LEU 21 -4.465 4.651 -2.661 168 HB3 LEU 21 1HB LEU 21 -2.996 4.904 -3.605 169 HG LEU 21 HG LEU 21 -3.729 3.235 -5.243 170 HD11 LEU 21 1HD1 LEU 21 -6.274 2.566 -4.889 171 HD12 LEU 21 2HD1 LEU 21 -5.869 2.815 -3.191 172 HD13 LEU 21 3HD1 LEU 21 -4.983 1.623 -4.145 173 HD21 LEU 21 3HD2 LEU 21 -4.459 5.501 -5.675 174 HD22 LEU 21 1HD2 LEU 21 -5.797 5.339 -4.537 175 HD23 LEU 21 2HD2 LEU 21 -5.809 4.429 -6.047 176 H ILE 22 H ILE 22 -0.724 3.585 -3.347 177 HA ILE 22 HA ILE 22 -0.535 1.988 -5.671 178 HB ILE 22 HB ILE 22 1.558 3.266 -3.908 179 HG12 ILE 22 2HG1 ILE 22 -0.169 4.504 -5.501 180 HG13 ILE 22 1HG1 ILE 22 1.519 5.010 -5.443 181 HG21 ILE 22 1HG2 ILE 22 1.829 1.605 -6.413 182 HG22 ILE 22 2HG2 ILE 22 2.733 1.470 -4.905 183 HG23 ILE 22 3HG2 ILE 22 3.025 2.829 -5.990 184 HD11 ILE 22 3HD1 ILE 22 2.042 3.939 -7.470 185 HD12 ILE 22 1HD1 ILE 22 0.437 4.603 -7.775 186 HD13 ILE 22 2HD1 ILE 22 0.624 2.891 -7.388 187 H VAL 23 H VAL 23 0.386 1.424 -2.306 188 HA VAL 23 HA VAL 23 1.754 -1.030 -2.765 189 HB VAL 23 HB VAL 23 0.427 0.071 -0.276 190 HG11 VAL 23 1HG1 VAL 23 2.333 -1.632 0.615 191 HG12 VAL 23 2HG1 VAL 23 1.857 -2.467 -0.864 192 HG13 VAL 23 3HG1 VAL 23 0.654 -2.114 0.376 193 HG21 VAL 23 3HG2 VAL 23 2.781 0.800 -1.684 194 HG22 VAL 23 1HG2 VAL 23 3.304 -0.072 -0.243 195 HG23 VAL 23 2HG2 VAL 23 2.273 1.350 -0.088 196 H THR 24 H THR 24 -1.572 -0.247 -1.786 197 HA THR 24 HA THR 24 -2.455 -2.920 -1.493 198 HB THR 24 HB THR 24 -4.049 -0.445 -2.201 199 HG1 THR 24 1HG THR 24 -2.684 -0.909 -0.094 200 HG21 THR 24 3HG2 THR 24 -4.759 -3.240 -1.892 201 HG22 THR 24 1HG2 THR 24 -5.768 -1.882 -2.393 202 HG23 THR 24 2HG2 THR 24 -5.568 -2.247 -0.678 203 H TYR 25 H TYR 25 -2.124 -0.804 -4.260 204 HA TYR 25 HA TYR 25 -3.727 -2.342 -6.055 205 HB2 TYR 25 2HB TYR 25 -3.181 0.026 -6.468 206 HB3 TYR 25 1HB TYR 25 -1.480 -0.402 -6.649 207 HD1 TYR 25 2HD TYR 25 -4.872 -1.222 -8.007 208 HD2 TYR 25 1HD TYR 25 -0.646 -1.035 -8.749 209 HE1 TYR 25 2HE TYR 25 -5.265 -1.786 -10.390 210 HE2 TYR 25 1HE TYR 25 -1.039 -1.599 -11.131 211 HH TYR 25 HH TYR 25 -2.631 -1.753 -12.744 212 H CYS 26 H CYS 26 -0.216 -2.123 -5.492 213 HA CYS 26 HA CYS 26 0.566 -4.008 -7.428 214 HB2 CYS 26 2HB CYS 26 1.874 -3.234 -4.811 215 HB3 CYS 26 1HB CYS 26 2.646 -4.205 -6.066 216 HG CYS 26 HG CYS 26 1.772 -1.812 -7.490 217 H ILE 27 H ILE 27 -0.487 -4.373 -4.082 218 HA ILE 27 HA ILE 27 0.194 -7.115 -3.797 219 HB ILE 27 HB ILE 27 -1.853 -5.381 -2.400 220 HG12 ILE 27 2HG1 ILE 27 0.704 -6.541 -1.294 221 HG13 ILE 27 1HG1 ILE 27 0.711 -5.025 -2.195 222 HG21 ILE 27 1HG2 ILE 27 -1.057 -8.265 -1.986 223 HG22 ILE 27 2HG2 ILE 27 -2.680 -7.587 -2.119 224 HG23 ILE 27 3HG2 ILE 27 -1.714 -7.290 -0.672 225 HD11 ILE 27 3HD1 ILE 27 0.400 -4.998 0.426 226 HD12 ILE 27 1HD1 ILE 27 -1.273 -5.384 0.024 227 HD13 ILE 27 2HD1 ILE 27 -0.540 -3.902 -0.587 228 H ASN 28 H ASN 28 -2.842 -5.485 -4.696 229 HA ASN 28 HA ASN 28 -4.415 -7.795 -4.997 230 HB2 ASN 28 2HB ASN 28 -4.560 -5.051 -6.236 231 HB3 ASN 28 1HB ASN 28 -5.748 -6.302 -6.596 232 HD21 ASN 28 1HD2 ASN 28 -6.295 -3.792 -5.145 233 HD22 ASN 28 2HD2 ASN 28 -6.818 -4.239 -3.594 234 H ALA 29 H ALA 29 -2.385 -6.038 -7.318 235 HA ALA 29 HA ALA 29 -3.035 -7.509 -9.615 236 HB1 ALA 29 1HB ALA 29 -1.646 -5.366 -9.436 237 HB2 ALA 29 2HB ALA 29 -1.094 -6.571 -10.599 238 HB3 ALA 29 3HB ALA 29 -0.285 -6.415 -9.041 239 H LYS 30 H LYS 30 -0.599 -8.085 -7.106 240 HA LYS 30 HA LYS 30 0.568 -10.361 -8.364 241 HB2 LYS 30 2HB LYS 30 0.605 -9.276 -5.554 242 HB3 LYS 30 1HB LYS 30 1.389 -10.803 -5.962 243 HG2 LYS 30 2HG LYS 30 1.946 -8.441 -7.707 244 HG3 LYS 30 1HG LYS 30 2.707 -8.488 -6.117 245 HD2 LYS 30 2HD LYS 30 2.806 -10.969 -7.777 246 HD3 LYS 30 1HD LYS 30 3.858 -9.630 -8.236 247 HE2 LYS 30 2HE LYS 30 4.987 -9.651 -6.160 248 HE3 LYS 30 1HE LYS 30 3.718 -10.596 -5.382 249 HZ1 LYS 30 3HZ LYS 30 5.992 -11.493 -6.835 250 HZ2 LYS 30 1HZ LYS 30 4.565 -12.121 -7.504 251 HZ3 LYS 30 2HZ LYS 30 4.918 -12.379 -5.863 252 H ALA 31 H ALA 31 -2.196 -9.867 -6.292 253 HA ALA 31 HA ALA 31 -2.510 -12.676 -5.658 254 HB1 ALA 31 1HB ALA 31 -4.880 -11.032 -5.278 255 HB2 ALA 31 2HB ALA 31 -3.448 -10.296 -4.561 256 HB3 ALA 31 3HB ALA 31 -3.931 -11.924 -4.089 257 H ASP 32 H ASP 32 -3.464 -10.520 -8.174 258 HA ASP 32 HA ASP 32 -5.724 -12.088 -9.063 259 HB2 ASP 32 2HB ASP 32 -4.211 -9.762 -10.254 260 HB3 ASP 32 1HB ASP 32 -5.542 -10.562 -11.088 261 H VAL 33 H VAL 33 -2.322 -11.726 -9.918 262 HA VAL 33 HA VAL 33 -2.246 -13.090 -12.336 263 HB VAL 33 HB VAL 33 -0.205 -13.117 -10.100 264 HG11 VAL 33 1HG1 VAL 33 -0.271 -14.275 -12.827 265 HG12 VAL 33 2HG1 VAL 33 0.699 -14.740 -11.429 266 HG13 VAL 33 3HG1 VAL 33 1.187 -13.368 -12.424 267 HG21 VAL 33 3HG2 VAL 33 0.501 -11.499 -12.347 268 HG22 VAL 33 1HG2 VAL 33 0.179 -10.979 -10.693 269 HG23 VAL 33 2HG2 VAL 33 -1.138 -11.063 -11.864 270 H LEU 34 H LEU 34 -2.781 -14.299 -9.132 271 HA LEU 34 HA LEU 34 -2.360 -17.075 -9.984 272 HB2 LEU 34 2HB LEU 34 -2.821 -15.763 -7.310 273 HB3 LEU 34 1HB LEU 34 -2.936 -17.510 -7.519 274 HG LEU 34 HG LEU 34 -0.639 -17.536 -8.452 275 HD11 LEU 34 1HD1 LEU 34 0.637 -15.290 -7.883 276 HD12 LEU 34 2HD1 LEU 34 -0.969 -14.580 -8.059 277 HD13 LEU 34 3HD1 LEU 34 -0.238 -15.451 -9.406 278 HD21 LEU 34 3HD2 LEU 34 0.236 -16.266 -6.112 279 HD22 LEU 34 1HD2 LEU 34 -0.175 -17.972 -6.284 280 HD23 LEU 34 2HD2 LEU 34 -1.392 -16.824 -5.730 281 H PHE 35 H PHE 35 -4.883 -15.173 -8.316 282 HA PHE 35 HA PHE 35 -6.892 -17.176 -8.878 283 HB2 PHE 35 2HB PHE 35 -6.940 -14.469 -7.555 284 HB3 PHE 35 1HB PHE 35 -8.420 -15.370 -7.883 285 HD1 PHE 35 1HD PHE 35 -8.533 -17.818 -7.042 286 HD2 PHE 35 2HD PHE 35 -5.666 -14.945 -5.634 287 HE1 PHE 35 1HE PHE 35 -8.149 -19.195 -5.017 288 HE2 PHE 35 2HE PHE 35 -5.284 -16.323 -3.607 289 HZ PHE 35 HZ PHE 35 -6.524 -18.447 -3.298 290 H ILE 36 H ILE 36 -5.414 -15.284 -10.936 291 HA ILE 36 HA ILE 36 -5.923 -14.309 -12.954 292 HB ILE 36 HB ILE 36 -8.459 -15.933 -12.624 293 HG12 ILE 36 2HG1 ILE 36 -6.234 -16.746 -14.424 294 HG13 ILE 36 1HG1 ILE 36 -5.942 -16.918 -12.693 295 HG21 ILE 36 1HG2 ILE 36 -7.206 -14.478 -14.957 296 HG22 ILE 36 2HG2 ILE 36 -8.855 -14.344 -14.348 297 HG23 ILE 36 3HG2 ILE 36 -8.342 -15.806 -15.189 298 HD11 ILE 36 3HD1 ILE 36 -6.970 -18.954 -13.780 299 HD12 ILE 36 1HD1 ILE 36 -8.413 -17.986 -14.080 300 HD13 ILE 36 2HD1 ILE 36 -7.896 -18.307 -12.425 301 H ALA 37 H ALA 37 -9.177 -14.500 -11.510 302 HA ALA 37 HA ALA 37 -9.482 -11.614 -11.984 303 HB1 ALA 37 1HB ALA 37 -11.219 -13.875 -12.229 304 HB2 ALA 37 2HB ALA 37 -11.534 -12.194 -12.659 305 HB3 ALA 37 3HB ALA 37 -11.893 -12.770 -11.031 306 HA PRO 38 HA PRO 38 -9.363 -10.548 -7.730 307 HB2 PRO 38 2HB PRO 38 -11.391 -8.720 -7.527 308 HB3 PRO 38 1HB PRO 38 -9.841 -8.377 -8.317 309 HG2 PRO 38 2HG PRO 38 -12.464 -9.100 -9.531 310 HG3 PRO 38 1HG PRO 38 -11.276 -7.897 -10.052 311 HD2 PRO 38 2HD PRO 38 -11.467 -10.359 -11.238 312 HD3 PRO 38 1HD PRO 38 -9.919 -9.500 -11.096 313 H ARG 39 H ARG 39 -11.268 -9.891 -5.913 314 HA ARG 39 HA ARG 39 -12.984 -12.299 -5.797 315 HB2 ARG 39 2HB ARG 39 -12.727 -12.285 -3.399 316 HB3 ARG 39 1HB ARG 39 -11.118 -12.201 -4.118 317 HG2 ARG 39 2HG ARG 39 -11.470 -9.606 -3.941 318 HG3 ARG 39 1HG ARG 39 -12.686 -10.040 -2.739 319 HD2 ARG 39 2HD ARG 39 -10.932 -11.428 -1.582 320 HD3 ARG 39 1HD ARG 39 -9.745 -10.767 -2.703 321 HE ARG 39 HE ARG 39 -10.885 -9.421 -0.432 322 HH11 ARG 39 1HH2 ARG 39 -9.599 -9.044 -3.623 323 HH12 ARG 39 2HH2 ARG 39 -9.082 -7.410 -3.372 324 HH21 ARG 39 1HH1 ARG 39 -10.211 -7.279 -0.095 325 HH22 ARG 39 2HH1 ARG 39 -9.429 -6.410 -1.374 326 H GLU 40 H GLU 40 -15.088 -11.893 -5.923 327 HA GLU 40 HA GLU 40 -16.256 -9.374 -6.070 328 HB2 GLU 40 2HB GLU 40 -17.265 -12.137 -5.610 329 HB3 GLU 40 1HB GLU 40 -18.361 -10.803 -5.252 330 HG2 GLU 40 2HG GLU 40 -17.980 -9.885 -7.515 331 HG3 GLU 40 1HG GLU 40 -16.903 -11.234 -7.875 332 HA PRO 41 HA PRO 41 -16.551 -7.877 -1.952 333 HB2 PRO 41 2HB PRO 41 -18.981 -6.607 -2.032 334 HB3 PRO 41 1HB PRO 41 -17.509 -5.963 -2.783 335 HG2 PRO 41 2HG PRO 41 -19.785 -7.425 -4.030 336 HG3 PRO 41 1HG PRO 41 -18.882 -6.025 -4.628 337 HD2 PRO 41 2HD PRO 41 -18.401 -8.558 -5.541 338 HD3 PRO 41 1HD PRO 41 -17.118 -7.333 -5.419 339 H GLY 42 H GLY 42 -16.744 -9.602 -0.553 340 HA2 GLY 42 2HA GLY 42 -17.931 -10.656 1.180 341 HA3 GLY 42 1HA GLY 42 -19.439 -10.241 0.372 342 H ALA 43 H ALA 43 -17.119 -11.536 -1.735 343 HA ALA 43 HA ALA 43 -18.537 -13.629 -2.717 344 HB1 ALA 43 1HB ALA 43 -15.549 -13.689 -2.236 345 HB2 ALA 43 2HB ALA 43 -16.336 -12.877 -3.589 346 HB3 ALA 43 3HB ALA 43 -16.436 -14.631 -3.434 347 H VAL 44 H VAL 44 -19.555 -15.224 -1.694 348 HA VAL 44 HA VAL 44 -18.717 -16.192 0.882 349 HB VAL 44 HB VAL 44 -20.818 -17.274 -1.012 350 HG11 VAL 44 1HG1 VAL 44 -21.732 -18.118 1.249 351 HG12 VAL 44 2HG1 VAL 44 -20.115 -17.803 1.878 352 HG13 VAL 44 3HG1 VAL 44 -20.343 -18.970 0.575 353 HG21 VAL 44 3HG2 VAL 44 -21.957 -15.964 1.218 354 HG22 VAL 44 1HG2 VAL 44 -21.984 -15.421 -0.459 355 HG23 VAL 44 2HG2 VAL 44 -20.696 -14.886 0.620 356 H SER 45 H SER 45 -17.405 -17.848 1.324 357 HA SER 45 HA SER 45 -15.984 -19.198 -0.744 358 HB2 SER 45 2HB SER 45 -16.048 -19.285 2.229 359 HB3 SER 45 1HB SER 45 -15.382 -20.686 1.393 360 HG SER 45 HG SER 45 -13.693 -19.330 1.581 361 H TYR 46 H TYR 46 -16.821 -20.741 -1.986 362 HA TYR 46 HA TYR 46 -19.109 -22.296 -1.153 363 HB2 TYR 46 2HB TYR 46 -19.032 -21.679 -3.460 364 HB3 TYR 46 1HB TYR 46 -17.392 -22.307 -3.639 365 HD1 TYR 46 1HD TYR 46 -20.764 -23.487 -2.468 366 HD2 TYR 46 2HD TYR 46 -17.153 -24.409 -4.604 367 HE1 TYR 46 1HE TYR 46 -21.677 -25.717 -3.054 368 HE2 TYR 46 2HE TYR 46 -18.067 -26.639 -5.189 369 HH TYR 46 HH TYR 46 -19.778 -28.223 -4.263 Start of MODEL 17 1 H ALA 1 1HT ALA 1 3.626 28.710 13.462 2 HA ALA 1 HA ALA 1 2.672 31.147 12.118 3 HB1 ALA 1 2HB ALA 1 4.493 30.489 10.698 4 HB2 ALA 1 3HB ALA 1 3.023 29.859 9.954 5 HB3 ALA 1 1HB ALA 1 4.084 28.782 10.863 6 H SER 2 H SER 2 2.614 27.592 12.410 7 HA SER 2 HA SER 2 0.833 26.161 12.746 8 HB2 SER 2 2HB SER 2 -1.247 28.257 12.588 9 HB3 SER 2 1HB SER 2 -1.041 26.957 13.758 10 HG SER 2 HG SER 2 -0.429 29.484 14.059 11 H LYS 3 H LYS 3 -0.159 28.872 10.641 12 HA LYS 3 HA LYS 3 -1.790 27.448 8.897 13 HB2 LYS 3 2HB LYS 3 -0.362 29.374 7.366 14 HB3 LYS 3 1HB LYS 3 -1.983 29.510 8.049 15 HG2 LYS 3 2HG LYS 3 -1.065 30.328 10.161 16 HG3 LYS 3 1HG LYS 3 0.579 30.108 9.558 17 HD2 LYS 3 2HD LYS 3 0.428 31.905 8.087 18 HD3 LYS 3 1HD LYS 3 -1.330 31.808 7.988 19 HE2 LYS 3 2HE LYS 3 0.236 32.708 10.424 20 HE3 LYS 3 1HE LYS 3 -0.608 33.778 9.304 21 HZ1 LYS 3 3HZ LYS 3 -1.660 32.488 11.515 22 HZ2 LYS 3 1HZ LYS 3 -2.334 31.714 10.164 23 HZ3 LYS 3 2HZ LYS 3 -2.502 33.394 10.351 24 H GLU 4 H GLU 4 1.722 27.922 8.810 25 HA GLU 4 HA GLU 4 2.151 26.619 6.324 26 HB2 GLU 4 2HB GLU 4 4.032 27.000 8.666 27 HB3 GLU 4 1HB GLU 4 4.510 26.512 7.040 28 HG2 GLU 4 2HG GLU 4 2.872 28.997 7.355 29 HG3 GLU 4 1HG GLU 4 4.585 29.064 7.764 30 H LEU 5 H LEU 5 2.318 25.496 9.693 31 HA LEU 5 HA LEU 5 3.149 22.857 9.135 32 HB2 LEU 5 2HB LEU 5 1.627 24.066 11.446 33 HB3 LEU 5 1HB LEU 5 2.100 22.367 11.403 34 HG LEU 5 HG LEU 5 4.302 24.156 10.693 35 HD11 LEU 5 1HD1 LEU 5 2.932 24.434 13.378 36 HD12 LEU 5 2HD1 LEU 5 3.335 25.716 12.237 37 HD13 LEU 5 3HD1 LEU 5 4.617 24.881 13.114 38 HD21 LEU 5 3HD2 LEU 5 3.974 22.135 12.932 39 HD22 LEU 5 1HD2 LEU 5 5.493 22.727 12.258 40 HD23 LEU 5 2HD2 LEU 5 4.430 21.714 11.280 41 H GLU 6 H GLU 6 -0.050 24.345 9.328 42 HA GLU 6 HA GLU 6 -1.605 22.007 9.206 43 HB2 GLU 6 2HB GLU 6 -2.036 24.888 8.602 44 HB3 GLU 6 1HB GLU 6 -3.197 23.741 7.931 45 HG2 GLU 6 2HG GLU 6 -3.697 22.855 10.115 46 HG3 GLU 6 1HG GLU 6 -2.377 23.768 10.846 47 H LEU 7 H LEU 7 -0.278 24.060 6.627 48 HA LEU 7 HA LEU 7 -1.435 22.693 4.449 49 HB2 LEU 7 2HB LEU 7 0.895 24.525 4.817 50 HB3 LEU 7 1HB LEU 7 0.768 23.626 3.302 51 HG LEU 7 HG LEU 7 -1.682 25.000 4.328 52 HD11 LEU 7 1HD1 LEU 7 -0.946 27.074 3.102 53 HD12 LEU 7 2HD1 LEU 7 0.673 26.379 3.007 54 HD13 LEU 7 3HD1 LEU 7 -0.034 26.757 4.578 55 HD21 LEU 7 3HD2 LEU 7 -1.264 23.503 2.168 56 HD22 LEU 7 1HD2 LEU 7 -0.676 25.028 1.507 57 HD23 LEU 7 2HD2 LEU 7 -2.331 24.906 2.103 58 H ILE 8 H ILE 8 1.828 22.388 5.866 59 HA ILE 8 HA ILE 8 2.747 20.299 4.261 60 HB ILE 8 HB ILE 8 3.386 21.023 7.124 61 HG12 ILE 8 2HG1 ILE 8 5.121 21.322 4.674 62 HG13 ILE 8 1HG1 ILE 8 3.920 22.547 5.084 63 HG21 ILE 8 1HG2 ILE 8 5.534 19.628 6.387 64 HG22 ILE 8 2HG2 ILE 8 4.355 18.805 5.368 65 HG23 ILE 8 3HG2 ILE 8 4.140 18.835 7.118 66 HD11 ILE 8 3HD1 ILE 8 5.816 21.590 7.205 67 HD12 ILE 8 1HD1 ILE 8 5.008 23.149 7.055 68 HD13 ILE 8 2HD1 ILE 8 6.377 22.762 6.014 69 H THR 9 H THR 9 0.778 20.237 7.190 70 HA THR 9 HA THR 9 0.867 17.456 7.663 71 HB THR 9 HB THR 9 -1.291 19.479 8.302 72 HG1 THR 9 1HG THR 9 -0.033 18.698 10.426 73 HG21 THR 9 3HG2 THR 9 -1.903 17.753 10.056 74 HG22 THR 9 1HG2 THR 9 -0.864 16.620 9.191 75 HG23 THR 9 2HG2 THR 9 -2.286 17.298 8.395 76 H LEU 10 H LEU 10 -1.476 19.445 5.862 77 HA LEU 10 HA LEU 10 -3.194 17.367 5.082 78 HB2 LEU 10 2HB LEU 10 -2.770 20.155 4.393 79 HB3 LEU 10 1HB LEU 10 -3.203 19.199 2.975 80 HG LEU 10 HG LEU 10 -5.197 20.099 4.188 81 HD11 LEU 10 1HD1 LEU 10 -4.675 17.404 3.351 82 HD12 LEU 10 2HD1 LEU 10 -6.197 18.293 3.291 83 HD13 LEU 10 3HD1 LEU 10 -5.774 17.363 4.729 84 HD21 LEU 10 3HD2 LEU 10 -3.756 19.356 6.447 85 HD22 LEU 10 1HD2 LEU 10 -5.021 18.130 6.350 86 HD23 LEU 10 2HD2 LEU 10 -5.453 19.837 6.424 87 H THR 11 H THR 11 -0.287 18.683 3.532 88 HA THR 11 HA THR 11 -0.433 17.137 1.168 89 HB THR 11 HB THR 11 1.920 18.392 2.596 90 HG1 THR 11 1HG THR 11 0.431 19.849 1.765 91 HG21 THR 11 3HG2 THR 11 2.945 18.137 0.233 92 HG22 THR 11 1HG2 THR 11 1.712 16.901 -0.015 93 HG23 THR 11 2HG2 THR 11 2.907 16.710 1.269 94 H VAL 12 H VAL 12 1.183 16.583 4.281 95 HA VAL 12 HA VAL 12 2.472 14.170 3.571 96 HB VAL 12 HB VAL 12 1.571 15.276 6.235 97 HG11 VAL 12 1HG1 VAL 12 3.309 13.507 7.049 98 HG12 VAL 12 2HG1 VAL 12 2.970 12.709 5.514 99 HG13 VAL 12 3HG1 VAL 12 1.671 12.971 6.677 100 HG21 VAL 12 3HG2 VAL 12 4.368 14.906 5.147 101 HG22 VAL 12 1HG2 VAL 12 3.844 15.931 6.483 102 HG23 VAL 12 2HG2 VAL 12 3.432 16.366 4.826 103 H GLY 13 H GLY 13 -0.765 14.889 4.744 104 HA2 GLY 13 2HA GLY 13 -1.506 12.191 5.323 105 HA3 GLY 13 1HA GLY 13 -2.608 13.550 5.112 106 H PHE 14 H PHE 14 -2.039 14.335 2.530 107 HA PHE 14 HA PHE 14 -3.495 12.425 1.000 108 HB2 PHE 14 2HB PHE 14 -3.640 14.826 0.536 109 HB3 PHE 14 1HB PHE 14 -1.929 14.858 0.107 110 HD1 PHE 14 1HD PHE 14 -5.081 13.011 -0.754 111 HD2 PHE 14 2HD PHE 14 -1.328 14.582 -2.129 112 HE1 PHE 14 1HE PHE 14 -5.647 12.332 -3.070 113 HE2 PHE 14 2HE PHE 14 -1.894 13.903 -4.448 114 HZ PHE 14 HZ PHE 14 -4.052 12.777 -4.917 115 H GLY 15 H GLY 15 -0.092 13.129 1.422 116 HA2 GLY 15 2HA GLY 15 0.831 11.647 -0.847 117 HA3 GLY 15 1HA GLY 15 1.811 12.189 0.512 118 H ILE 16 H ILE 16 0.227 10.899 2.547 119 HA ILE 16 HA ILE 16 1.440 8.317 2.516 120 HB ILE 16 HB ILE 16 -0.581 9.623 4.339 121 HG12 ILE 16 2HG1 ILE 16 2.205 8.706 5.020 122 HG13 ILE 16 1HG1 ILE 16 1.961 10.242 4.186 123 HG21 ILE 16 1HG2 ILE 16 0.284 7.540 5.792 124 HG22 ILE 16 2HG2 ILE 16 0.394 6.807 4.192 125 HG23 ILE 16 3HG2 ILE 16 -1.150 7.432 4.771 126 HD11 ILE 16 3HD1 ILE 16 0.717 9.433 6.833 127 HD12 ILE 16 1HD1 ILE 16 0.400 10.948 5.986 128 HD13 ILE 16 2HD1 ILE 16 2.014 10.608 6.611 129 H LEU 17 H LEU 17 -1.816 9.525 1.890 130 HA LEU 17 HA LEU 17 -3.094 6.989 1.763 131 HB2 LEU 17 2HB LEU 17 -3.771 9.780 1.163 132 HB3 LEU 17 1HB LEU 17 -4.568 8.615 0.102 133 HG LEU 17 HG LEU 17 -5.871 9.106 2.189 134 HD11 LEU 17 1HD1 LEU 17 -5.368 6.665 0.943 135 HD12 LEU 17 2HD1 LEU 17 -6.692 7.005 2.060 136 HD13 LEU 17 3HD1 LEU 17 -5.187 6.305 2.661 137 HD21 LEU 17 3HD2 LEU 17 -4.114 7.422 3.845 138 HD22 LEU 17 1HD2 LEU 17 -4.950 8.920 4.257 139 HD23 LEU 17 2HD2 LEU 17 -3.403 8.977 3.413 140 H ILE 18 H ILE 18 -1.701 9.119 -0.721 141 HA ILE 18 HA ILE 18 -2.368 7.551 -2.961 142 HB ILE 18 HB ILE 18 -0.102 9.488 -2.465 143 HG12 ILE 18 2HG1 ILE 18 -2.686 10.073 -2.621 144 HG13 ILE 18 1HG1 ILE 18 -1.490 11.083 -3.435 145 HG21 ILE 18 1HG2 ILE 18 -0.081 9.462 -5.065 146 HG22 ILE 18 2HG2 ILE 18 -0.856 7.885 -4.904 147 HG23 ILE 18 3HG2 ILE 18 0.745 8.155 -4.214 148 HD11 ILE 18 3HD1 ILE 18 -2.741 8.728 -4.842 149 HD12 ILE 18 1HD1 ILE 18 -1.952 10.140 -5.545 150 HD13 ILE 18 2HD1 ILE 18 -3.546 10.297 -4.808 151 H PHE 19 H PHE 19 0.411 7.462 -0.776 152 HA PHE 19 HA PHE 19 1.916 5.549 -2.242 153 HB2 PHE 19 2HB PHE 19 2.609 7.115 -0.256 154 HB3 PHE 19 1HB PHE 19 2.079 5.763 0.744 155 HD1 PHE 19 1HD PHE 19 3.184 3.560 0.583 156 HD2 PHE 19 2HD PHE 19 4.577 6.949 -1.659 157 HE1 PHE 19 1HE PHE 19 5.317 2.380 0.126 158 HE2 PHE 19 2HE PHE 19 6.710 5.770 -2.116 159 HZ PHE 19 HZ PHE 19 7.081 3.485 -1.224 160 H SER 20 H SER 20 -0.377 5.262 0.459 161 HA SER 20 HA SER 20 -0.133 2.466 0.800 162 HB2 SER 20 2HB SER 20 -1.302 4.297 2.281 163 HB3 SER 20 1HB SER 20 -2.718 3.889 1.319 164 HG SER 20 HG SER 20 -2.284 2.636 3.327 165 H LEU 21 H LEU 21 -2.316 4.447 -1.173 166 HA LEU 21 HA LEU 21 -4.014 2.435 -2.106 167 HB2 LEU 21 2HB LEU 21 -4.406 4.839 -2.488 168 HB3 LEU 21 1HB LEU 21 -3.037 4.882 -3.598 169 HG LEU 21 HG LEU 21 -4.904 2.729 -4.238 170 HD11 LEU 21 1HD1 LEU 21 -6.546 4.326 -3.319 171 HD12 LEU 21 2HD1 LEU 21 -6.706 4.199 -5.071 172 HD13 LEU 21 3HD1 LEU 21 -5.896 5.595 -4.358 173 HD21 LEU 21 3HD2 LEU 21 -3.053 3.681 -5.669 174 HD22 LEU 21 1HD2 LEU 21 -4.014 5.151 -5.833 175 HD23 LEU 21 2HD2 LEU 21 -4.624 3.624 -6.472 176 H ILE 22 H ILE 22 -0.872 3.527 -3.336 177 HA ILE 22 HA ILE 22 -0.835 1.892 -5.649 178 HB ILE 22 HB ILE 22 1.400 3.104 -4.010 179 HG12 ILE 22 2HG1 ILE 22 0.430 3.885 -6.763 180 HG13 ILE 22 1HG1 ILE 22 -0.327 4.534 -5.307 181 HG21 ILE 22 1HG2 ILE 22 2.681 1.588 -5.133 182 HG22 ILE 22 2HG2 ILE 22 2.434 2.674 -6.501 183 HG23 ILE 22 3HG2 ILE 22 1.417 1.246 -6.313 184 HD11 ILE 22 3HD1 ILE 22 2.663 4.639 -5.688 185 HD12 ILE 22 1HD1 ILE 22 1.657 5.612 -4.613 186 HD13 ILE 22 2HD1 ILE 22 1.615 5.890 -6.355 187 H VAL 23 H VAL 23 0.234 1.373 -2.320 188 HA VAL 23 HA VAL 23 1.563 -1.088 -2.743 189 HB VAL 23 HB VAL 23 0.194 0.027 -0.285 190 HG11 VAL 23 1HG1 VAL 23 1.957 -1.671 0.744 191 HG12 VAL 23 2HG1 VAL 23 1.727 -2.494 -0.800 192 HG13 VAL 23 3HG1 VAL 23 0.350 -2.221 0.269 193 HG21 VAL 23 3HG2 VAL 23 2.157 1.104 0.156 194 HG22 VAL 23 1HG2 VAL 23 2.414 0.953 -1.582 195 HG23 VAL 23 2HG2 VAL 23 3.136 -0.217 -0.481 196 H THR 24 H THR 24 -1.768 -0.355 -1.708 197 HA THR 24 HA THR 24 -2.632 -3.034 -1.491 198 HB THR 24 HB THR 24 -4.210 -0.524 -2.097 199 HG1 THR 24 1HG THR 24 -3.996 -1.933 0.335 200 HG21 THR 24 3HG2 THR 24 -5.801 -2.084 -2.604 201 HG22 THR 24 1HG2 THR 24 -5.935 -2.192 -0.850 202 HG23 THR 24 2HG2 THR 24 -4.964 -3.369 -1.735 203 H TYR 25 H TYR 25 -2.367 -0.840 -4.212 204 HA TYR 25 HA TYR 25 -3.947 -2.378 -6.029 205 HB2 TYR 25 2HB TYR 25 -3.491 0.004 -6.409 206 HB3 TYR 25 1HB TYR 25 -1.769 -0.346 -6.575 207 HD1 TYR 25 1HD TYR 25 -0.906 -1.560 -8.525 208 HD2 TYR 25 2HD TYR 25 -5.081 -0.623 -8.145 209 HE1 TYR 25 1HE TYR 25 -1.244 -2.089 -10.925 210 HE2 TYR 25 2HE TYR 25 -5.419 -1.153 -10.544 211 HH TYR 25 HH TYR 25 -4.275 -2.565 -12.293 212 H CYS 26 H CYS 26 -0.427 -2.032 -5.567 213 HA CYS 26 HA CYS 26 0.402 -3.835 -7.532 214 HB2 CYS 26 2HB CYS 26 1.667 -3.146 -4.871 215 HB3 CYS 26 1HB CYS 26 2.473 -4.061 -6.145 216 HG CYS 26 HG CYS 26 1.523 -1.586 -7.441 217 H ILE 27 H ILE 27 -0.746 -4.384 -4.254 218 HA ILE 27 HA ILE 27 0.023 -7.119 -4.076 219 HB ILE 27 HB ILE 27 -2.034 -5.457 -2.622 220 HG12 ILE 27 2HG1 ILE 27 0.456 -6.783 -1.545 221 HG13 ILE 27 1HG1 ILE 27 0.527 -5.203 -2.325 222 HG21 ILE 27 1HG2 ILE 27 -1.506 -8.398 -2.575 223 HG22 ILE 27 2HG2 ILE 27 -3.015 -7.525 -2.304 224 HG23 ILE 27 3HG2 ILE 27 -1.794 -7.594 -1.032 225 HD11 ILE 27 3HD1 ILE 27 -0.654 -4.159 -0.636 226 HD12 ILE 27 1HD1 ILE 27 0.119 -5.437 0.304 227 HD13 ILE 27 2HD1 ILE 27 -1.554 -5.620 -0.222 228 H ASN 28 H ASN 28 -3.020 -5.510 -4.974 229 HA ASN 28 HA ASN 28 -4.593 -7.787 -5.360 230 HB2 ASN 28 2HB ASN 28 -4.625 -5.044 -6.598 231 HB3 ASN 28 1HB ASN 28 -5.787 -6.278 -7.082 232 HD21 ASN 28 1HD2 ASN 28 -5.832 -3.665 -5.254 233 HD22 ASN 28 2HD2 ASN 28 -6.744 -4.189 -3.922 234 H ALA 29 H ALA 29 -2.299 -6.189 -7.522 235 HA ALA 29 HA ALA 29 -2.919 -7.731 -9.833 236 HB1 ALA 29 1HB ALA 29 -1.723 -5.927 -10.523 237 HB2 ALA 29 2HB ALA 29 -0.341 -6.987 -10.243 238 HB3 ALA 29 3HB ALA 29 -0.821 -5.818 -9.012 239 H LYS 30 H LYS 30 -0.425 -8.023 -7.317 240 HA LYS 30 HA LYS 30 0.886 -10.274 -8.408 241 HB2 LYS 30 2HB LYS 30 0.661 -9.300 -5.551 242 HB3 LYS 30 1HB LYS 30 1.740 -10.595 -6.074 243 HG2 LYS 30 2HG LYS 30 1.877 -8.085 -7.650 244 HG3 LYS 30 1HG LYS 30 2.489 -7.992 -5.998 245 HD2 LYS 30 2HD LYS 30 4.125 -9.640 -6.379 246 HD3 LYS 30 1HD LYS 30 3.301 -10.259 -7.809 247 HE2 LYS 30 2HE LYS 30 3.821 -8.191 -9.028 248 HE3 LYS 30 1HE LYS 30 4.608 -7.530 -7.595 249 HZ1 LYS 30 3HZ LYS 30 6.286 -9.155 -7.699 250 HZ2 LYS 30 1HZ LYS 30 6.114 -8.581 -9.286 251 HZ3 LYS 30 2HZ LYS 30 5.444 -10.080 -8.848 252 H ALA 31 H ALA 31 -2.027 -9.923 -6.525 253 HA ALA 31 HA ALA 31 -2.184 -12.775 -5.935 254 HB1 ALA 31 1HB ALA 31 -3.598 -10.327 -5.078 255 HB2 ALA 31 2HB ALA 31 -3.188 -11.776 -4.159 256 HB3 ALA 31 3HB ALA 31 -4.604 -11.769 -5.210 257 H ASP 32 H ASP 32 -3.124 -10.613 -8.404 258 HA ASP 32 HA ASP 32 -5.458 -12.022 -9.302 259 HB2 ASP 32 2HB ASP 32 -3.712 -9.855 -10.422 260 HB3 ASP 32 1HB ASP 32 -4.884 -10.664 -11.463 261 H VAL 33 H VAL 33 -2.086 -11.833 -10.441 262 HA VAL 33 HA VAL 33 -2.231 -13.561 -12.600 263 HB VAL 33 HB VAL 33 0.001 -13.137 -10.603 264 HG11 VAL 33 1HG1 VAL 33 -0.169 -14.795 -13.108 265 HG12 VAL 33 2HG1 VAL 33 0.587 -15.193 -11.565 266 HG13 VAL 33 3HG1 VAL 33 1.357 -14.038 -12.653 267 HG21 VAL 33 3HG2 VAL 33 0.752 -11.476 -12.041 268 HG22 VAL 33 1HG2 VAL 33 -0.989 -11.323 -12.276 269 HG23 VAL 33 2HG2 VAL 33 -0.014 -12.205 -13.451 270 H LEU 34 H LEU 34 -2.979 -14.270 -9.421 271 HA LEU 34 HA LEU 34 -2.270 -17.117 -9.676 272 HB2 LEU 34 2HB LEU 34 -3.086 -15.394 -7.337 273 HB3 LEU 34 1HB LEU 34 -3.064 -17.155 -7.240 274 HG LEU 34 HG LEU 34 -0.683 -17.149 -7.938 275 HD11 LEU 34 1HD1 LEU 34 -1.270 -14.226 -8.161 276 HD12 LEU 34 2HD1 LEU 34 -0.259 -15.248 -9.182 277 HD13 LEU 34 3HD1 LEU 34 0.338 -14.703 -7.615 278 HD21 LEU 34 3HD2 LEU 34 -0.835 -17.239 -5.614 279 HD22 LEU 34 1HD2 LEU 34 -1.617 -15.661 -5.503 280 HD23 LEU 34 2HD2 LEU 34 0.113 -15.768 -5.828 281 H PHE 35 H PHE 35 -5.043 -15.112 -8.644 282 HA PHE 35 HA PHE 35 -6.885 -17.313 -8.997 283 HB2 PHE 35 2HB PHE 35 -7.179 -14.418 -8.223 284 HB3 PHE 35 1HB PHE 35 -8.587 -15.428 -8.548 285 HD1 PHE 35 1HD PHE 35 -5.346 -15.604 -6.655 286 HD2 PHE 35 2HD PHE 35 -9.530 -16.569 -6.753 287 HE1 PHE 35 1HE PHE 35 -5.174 -16.576 -4.381 288 HE2 PHE 35 2HE PHE 35 -9.358 -17.544 -4.478 289 HZ PHE 35 HZ PHE 35 -7.180 -17.547 -3.293 290 H ILE 36 H ILE 36 -5.376 -15.251 -11.104 291 HA ILE 36 HA ILE 36 -7.639 -15.331 -13.010 292 HB ILE 36 HB ILE 36 -5.284 -13.427 -13.020 293 HG12 ILE 36 2HG1 ILE 36 -6.717 -13.007 -11.076 294 HG13 ILE 36 1HG1 ILE 36 -6.975 -11.748 -12.283 295 HG21 ILE 36 1HG2 ILE 36 -7.545 -12.463 -14.437 296 HG22 ILE 36 2HG2 ILE 36 -7.303 -14.132 -14.950 297 HG23 ILE 36 3HG2 ILE 36 -5.992 -12.963 -15.106 298 HD11 ILE 36 3HD1 ILE 36 -9.171 -12.311 -11.754 299 HD12 ILE 36 1HD1 ILE 36 -8.778 -14.011 -11.495 300 HD13 ILE 36 2HD1 ILE 36 -8.873 -13.368 -13.134 301 H ALA 37 H ALA 37 -4.916 -14.304 -14.552 302 HA ALA 37 HA ALA 37 -4.705 -16.460 -16.293 303 HB1 ALA 37 1HB ALA 37 -2.138 -15.278 -16.134 304 HB2 ALA 37 2HB ALA 37 -3.309 -13.994 -15.827 305 HB3 ALA 37 3HB ALA 37 -3.410 -14.944 -17.311 306 HA PRO 38 HA PRO 38 -2.466 -19.854 -14.685 307 HB2 PRO 38 2HB PRO 38 -0.090 -19.011 -16.295 308 HB3 PRO 38 1HB PRO 38 -0.887 -20.593 -16.203 309 HG2 PRO 38 2HG PRO 38 -1.233 -18.855 -18.256 310 HG3 PRO 38 1HG PRO 38 -2.446 -20.045 -17.755 311 HD2 PRO 38 2HD PRO 38 -2.536 -17.123 -17.532 312 HD3 PRO 38 1HD PRO 38 -3.850 -18.302 -17.321 313 H ARG 39 H ARG 39 -0.885 -20.378 -13.111 314 HA ARG 39 HA ARG 39 0.036 -18.126 -11.551 315 HB2 ARG 39 2HB ARG 39 0.563 -21.073 -11.110 316 HB3 ARG 39 1HB ARG 39 0.712 -19.778 -9.922 317 HG2 ARG 39 2HG ARG 39 -1.701 -19.323 -10.099 318 HG3 ARG 39 1HG ARG 39 -1.861 -20.604 -11.300 319 HD2 ARG 39 2HD ARG 39 -0.525 -21.825 -9.176 320 HD3 ARG 39 1HD ARG 39 -1.728 -20.803 -8.395 321 HE ARG 39 HE ARG 39 -3.403 -22.159 -9.291 322 HH11 ARG 39 1HH2 ARG 39 -0.320 -22.814 -10.721 323 HH12 ARG 39 2HH2 ARG 39 -0.850 -24.242 -11.545 324 HH21 ARG 39 1HH1 ARG 39 -4.105 -24.032 -10.368 325 HH22 ARG 39 2HH1 ARG 39 -2.993 -24.932 -11.345 326 H GLU 40 H GLU 40 2.056 -17.322 -11.421 327 HA GLU 40 HA GLU 40 4.020 -18.245 -13.353 328 HB2 GLU 40 2HB GLU 40 3.739 -15.872 -11.551 329 HB3 GLU 40 1HB GLU 40 5.332 -16.282 -12.185 330 HG2 GLU 40 2HG GLU 40 3.050 -16.259 -14.107 331 HG3 GLU 40 1HG GLU 40 3.651 -14.702 -13.538 332 HA PRO 41 HA PRO 41 6.418 -20.695 -10.605 333 HB2 PRO 41 2HB PRO 41 8.932 -20.240 -11.609 334 HB3 PRO 41 1HB PRO 41 7.733 -21.284 -12.395 335 HG2 PRO 41 2HG PRO 41 8.492 -18.474 -13.014 336 HG3 PRO 41 1HG PRO 41 8.117 -19.811 -14.113 337 HD2 PRO 41 2HD PRO 41 6.310 -17.847 -13.543 338 HD3 PRO 41 1HD PRO 41 5.822 -19.514 -13.920 339 H GLY 42 H GLY 42 6.576 -17.345 -10.643 340 HA2 GLY 42 2HA GLY 42 6.912 -16.205 -8.515 341 HA3 GLY 42 1HA GLY 42 8.237 -17.321 -8.195 342 H ALA 43 H ALA 43 8.425 -16.614 -11.396 343 HA ALA 43 HA ALA 43 9.843 -15.328 -12.664 344 HB1 ALA 43 1HB ALA 43 9.975 -13.049 -10.833 345 HB2 ALA 43 2HB ALA 43 8.325 -13.569 -11.175 346 HB3 ALA 43 3HB ALA 43 9.402 -13.123 -12.499 347 H VAL 44 H VAL 44 10.777 -16.903 -10.193 348 HA VAL 44 HA VAL 44 12.987 -15.677 -9.008 349 HB VAL 44 HB VAL 44 12.611 -18.596 -9.722 350 HG11 VAL 44 1HG1 VAL 44 14.772 -17.114 -8.436 351 HG12 VAL 44 2HG1 VAL 44 14.730 -18.796 -8.965 352 HG13 VAL 44 3HG1 VAL 44 14.102 -18.355 -7.378 353 HG21 VAL 44 3HG2 VAL 44 12.009 -18.593 -7.189 354 HG22 VAL 44 1HG2 VAL 44 10.799 -18.011 -8.333 355 HG23 VAL 44 2HG2 VAL 44 11.762 -16.860 -7.407 356 H SER 45 H SER 45 15.078 -15.359 -9.594 357 HA SER 45 HA SER 45 15.874 -14.915 -12.155 358 HB2 SER 45 2HB SER 45 18.205 -15.221 -11.377 359 HB3 SER 45 1HB SER 45 17.242 -14.287 -10.235 360 HG SER 45 HG SER 45 18.585 -16.498 -9.780 361 H TYR 46 H TYR 46 17.046 -16.056 -13.746 362 HA TYR 46 HA TYR 46 16.542 -18.957 -13.709 363 HB2 TYR 46 2HB TYR 46 15.593 -18.135 -15.661 364 HB3 TYR 46 1HB TYR 46 16.847 -16.915 -15.880 365 HD1 TYR 46 1HD TYR 46 19.036 -17.500 -16.818 366 HD2 TYR 46 2HD TYR 46 15.948 -20.451 -16.342 367 HE1 TYR 46 1HE TYR 46 20.285 -19.047 -18.301 368 HE2 TYR 46 2HE TYR 46 17.199 -21.997 -17.824 369 HH TYR 46 HH TYR 46 20.371 -21.087 -19.173 Start of MODEL 18 1 H ALA 1 1HT ALA 1 -2.180 30.690 10.941 2 HA ALA 1 HA ALA 1 0.212 30.985 11.797 3 HB1 ALA 1 2HB ALA 1 0.128 30.191 14.300 4 HB2 ALA 1 3HB ALA 1 -1.476 30.922 14.282 5 HB3 ALA 1 1HB ALA 1 -0.056 31.905 13.926 6 H SER 2 H SER 2 -2.306 28.956 13.324 7 HA SER 2 HA SER 2 -0.935 26.523 13.062 8 HB2 SER 2 2HB SER 2 -3.552 25.760 12.991 9 HB3 SER 2 1HB SER 2 -2.668 26.149 14.464 10 HG SER 2 HG SER 2 -4.756 27.288 13.965 11 H LYS 3 H LYS 3 -2.004 28.481 10.637 12 HA LYS 3 HA LYS 3 -3.142 26.641 8.800 13 HB2 LYS 3 2HB LYS 3 -1.891 29.357 8.591 14 HB3 LYS 3 1HB LYS 3 -2.223 28.441 7.121 15 HG2 LYS 3 2HG LYS 3 -4.583 28.191 7.803 16 HG3 LYS 3 1HG LYS 3 -4.253 29.109 9.273 17 HD2 LYS 3 2HD LYS 3 -3.260 30.790 7.347 18 HD3 LYS 3 1HD LYS 3 -4.629 30.060 6.507 19 HE2 LYS 3 2HE LYS 3 -5.552 31.943 7.614 20 HE3 LYS 3 1HE LYS 3 -5.982 30.573 8.639 21 HZ1 LYS 3 3HZ LYS 3 -4.905 31.534 10.296 22 HZ2 LYS 3 1HZ LYS 3 -4.454 32.829 9.299 23 HZ3 LYS 3 2HZ LYS 3 -3.455 31.461 9.414 24 H GLU 4 H GLU 4 0.161 27.568 9.564 25 HA GLU 4 HA GLU 4 1.375 26.307 7.311 26 HB2 GLU 4 2HB GLU 4 3.459 26.674 8.448 27 HB3 GLU 4 1HB GLU 4 2.440 28.080 8.756 28 HG2 GLU 4 2HG GLU 4 1.694 26.779 10.885 29 HG3 GLU 4 1HG GLU 4 3.149 25.825 10.611 30 H LEU 5 H LEU 5 0.726 25.286 10.645 31 HA LEU 5 HA LEU 5 2.042 22.791 10.509 32 HB2 LEU 5 2HB LEU 5 -0.225 23.815 12.221 33 HB3 LEU 5 1HB LEU 5 0.450 22.197 12.413 34 HG LEU 5 HG LEU 5 2.359 24.488 12.320 35 HD11 LEU 5 1HD1 LEU 5 1.995 24.507 14.927 36 HD12 LEU 5 2HD1 LEU 5 0.370 23.966 14.502 37 HD13 LEU 5 3HD1 LEU 5 0.977 25.503 13.891 38 HD21 LEU 5 3HD2 LEU 5 2.994 22.042 12.509 39 HD22 LEU 5 1HD2 LEU 5 2.234 22.044 14.100 40 HD23 LEU 5 2HD2 LEU 5 3.632 23.072 13.790 41 H GLU 6 H GLU 6 -1.268 23.788 9.753 42 HA GLU 6 HA GLU 6 -2.286 21.180 9.276 43 HB2 GLU 6 2HB GLU 6 -3.182 23.955 8.862 44 HB3 GLU 6 1HB GLU 6 -3.836 22.791 7.710 45 HG2 GLU 6 2HG GLU 6 -5.251 23.028 9.758 46 HG3 GLU 6 1HG GLU 6 -4.655 21.385 9.520 47 H LEU 7 H LEU 7 -0.863 23.646 7.161 48 HA LEU 7 HA LEU 7 -1.300 22.417 4.695 49 HB2 LEU 7 2HB LEU 7 0.148 24.637 5.656 50 HB3 LEU 7 1HB LEU 7 1.302 23.650 4.757 51 HG LEU 7 HG LEU 7 -1.404 24.554 3.725 52 HD11 LEU 7 1HD1 LEU 7 1.253 25.778 3.727 53 HD12 LEU 7 2HD1 LEU 7 -0.305 26.486 3.303 54 HD13 LEU 7 3HD1 LEU 7 0.607 25.576 2.099 55 HD21 LEU 7 3HD2 LEU 7 0.416 22.468 2.909 56 HD22 LEU 7 1HD2 LEU 7 0.350 23.712 1.661 57 HD23 LEU 7 2HD2 LEU 7 -1.132 22.920 2.195 58 H ILE 8 H ILE 8 1.408 22.034 6.968 59 HA ILE 8 HA ILE 8 2.941 20.261 5.407 60 HB ILE 8 HB ILE 8 2.713 20.667 8.387 61 HG12 ILE 8 2HG1 ILE 8 4.966 21.300 6.458 62 HG13 ILE 8 1HG1 ILE 8 3.699 22.456 6.863 63 HG21 ILE 8 1HG2 ILE 8 3.484 18.427 8.224 64 HG22 ILE 8 2HG2 ILE 8 4.958 19.384 8.365 65 HG23 ILE 8 3HG2 ILE 8 4.448 18.779 6.789 66 HD11 ILE 8 3HD1 ILE 8 4.689 21.381 9.318 67 HD12 ILE 8 1HD1 ILE 8 4.837 23.032 8.717 68 HD13 ILE 8 2HD1 ILE 8 6.078 21.840 8.336 69 H THR 9 H THR 9 0.469 19.630 7.890 70 HA THR 9 HA THR 9 0.630 16.817 7.818 71 HB THR 9 HB THR 9 -1.787 18.528 8.449 72 HG1 THR 9 1HG THR 9 -0.720 19.042 10.159 73 HG21 THR 9 3HG2 THR 9 -1.360 15.690 8.347 74 HG22 THR 9 1HG2 THR 9 -2.822 16.567 8.805 75 HG23 THR 9 2HG2 THR 9 -1.609 16.174 10.025 76 H LEU 10 H LEU 10 -1.449 19.093 6.046 77 HA LEU 10 HA LEU 10 -2.984 17.185 4.666 78 HB2 LEU 10 2HB LEU 10 -3.434 19.664 4.809 79 HB3 LEU 10 1HB LEU 10 -2.163 19.895 3.609 80 HG LEU 10 HG LEU 10 -3.653 17.931 2.421 81 HD11 LEU 10 1HD1 LEU 10 -6.014 18.576 2.646 82 HD12 LEU 10 2HD1 LEU 10 -5.578 19.778 3.862 83 HD13 LEU 10 3HD1 LEU 10 -5.360 18.061 4.201 84 HD21 LEU 10 3HD2 LEU 10 -2.849 19.984 1.349 85 HD22 LEU 10 1HD2 LEU 10 -4.034 20.937 2.242 86 HD23 LEU 10 2HD2 LEU 10 -4.571 19.777 1.026 87 H THR 11 H THR 11 0.070 18.783 3.800 88 HA THR 11 HA THR 11 0.344 17.667 1.232 89 HB THR 11 HB THR 11 2.487 18.511 3.197 90 HG1 THR 11 1HG THR 11 1.250 19.865 1.036 91 HG21 THR 11 3HG2 THR 11 2.569 17.386 0.489 92 HG22 THR 11 1HG2 THR 11 3.865 17.568 1.671 93 HG23 THR 11 2HG2 THR 11 3.422 18.923 0.633 94 H VAL 12 H VAL 12 1.453 16.535 4.407 95 HA VAL 12 HA VAL 12 2.763 14.203 3.394 96 HB VAL 12 HB VAL 12 1.751 14.848 6.175 97 HG11 VAL 12 1HG1 VAL 12 3.308 12.567 5.010 98 HG12 VAL 12 2HG1 VAL 12 2.078 12.551 6.273 99 HG13 VAL 12 3HG1 VAL 12 3.705 13.123 6.636 100 HG21 VAL 12 3HG2 VAL 12 4.638 14.850 5.454 101 HG22 VAL 12 1HG2 VAL 12 3.753 15.907 6.555 102 HG23 VAL 12 2HG2 VAL 12 3.673 16.180 4.814 103 H GLY 13 H GLY 13 -0.498 14.999 4.127 104 HA2 GLY 13 2HA GLY 13 -1.465 12.341 4.589 105 HA3 GLY 13 1HA GLY 13 -2.446 13.763 4.254 106 H PHE 14 H PHE 14 -1.334 14.509 1.807 107 HA PHE 14 HA PHE 14 -2.715 12.709 0.047 108 HB2 PHE 14 2HB PHE 14 -2.819 15.068 -0.443 109 HB3 PHE 14 1HB PHE 14 -1.059 15.193 -0.469 110 HD1 PHE 14 1HD PHE 14 -3.995 13.707 -2.206 111 HD2 PHE 14 2HD PHE 14 0.201 14.603 -2.409 112 HE1 PHE 14 1HE PHE 14 -3.986 13.115 -4.613 113 HE2 PHE 14 2HE PHE 14 0.210 14.011 -4.818 114 HZ PHE 14 HZ PHE 14 -1.884 13.267 -5.920 115 H GLY 15 H GLY 15 0.605 13.366 0.925 116 HA2 GLY 15 2HA GLY 15 1.769 11.874 -1.249 117 HA3 GLY 15 1HA GLY 15 2.607 12.425 0.200 118 H ILE 16 H ILE 16 0.860 11.189 2.094 119 HA ILE 16 HA ILE 16 2.043 8.597 2.190 120 HB ILE 16 HB ILE 16 -0.126 9.927 3.816 121 HG12 ILE 16 2HG1 ILE 16 2.470 10.491 3.838 122 HG13 ILE 16 1HG1 ILE 16 1.559 10.406 5.344 123 HG21 ILE 16 1HG2 ILE 16 0.377 7.945 5.410 124 HG22 ILE 16 2HG2 ILE 16 1.011 7.137 3.975 125 HG23 ILE 16 3HG2 ILE 16 -0.676 7.642 4.028 126 HD11 ILE 16 3HD1 ILE 16 2.398 8.265 5.863 127 HD12 ILE 16 1HD1 ILE 16 3.796 9.123 5.218 128 HD13 ILE 16 2HD1 ILE 16 2.922 7.975 4.206 129 H LEU 17 H LEU 17 -1.144 9.799 1.374 130 HA LEU 17 HA LEU 17 -2.425 7.271 1.113 131 HB2 LEU 17 2HB LEU 17 -3.550 9.560 1.252 132 HB3 LEU 17 1HB LEU 17 -3.154 9.745 -0.458 133 HG LEU 17 HG LEU 17 -4.250 7.291 -0.554 134 HD11 LEU 17 1HD1 LEU 17 -6.094 7.070 0.975 135 HD12 LEU 17 2HD1 LEU 17 -5.825 8.689 1.623 136 HD13 LEU 17 3HD1 LEU 17 -4.661 7.406 1.948 137 HD21 LEU 17 3HD2 LEU 17 -5.671 9.971 -0.538 138 HD22 LEU 17 1HD2 LEU 17 -6.423 8.480 -1.104 139 HD23 LEU 17 2HD2 LEU 17 -5.007 9.121 -1.935 140 H ILE 18 H ILE 18 -0.734 9.356 -1.203 141 HA ILE 18 HA ILE 18 -1.266 7.839 -3.510 142 HB ILE 18 HB ILE 18 1.022 9.672 -2.785 143 HG12 ILE 18 2HG1 ILE 18 -1.489 10.390 -3.175 144 HG13 ILE 18 1HG1 ILE 18 -0.178 11.331 -3.882 145 HG21 ILE 18 1HG2 ILE 18 1.993 8.313 -4.446 146 HG22 ILE 18 2HG2 ILE 18 1.326 9.665 -5.364 147 HG23 ILE 18 3HG2 ILE 18 0.468 8.126 -5.312 148 HD11 ILE 18 3HD1 ILE 18 -0.553 10.487 -6.035 149 HD12 ILE 18 1HD1 ILE 18 -2.192 10.630 -5.400 150 HD13 ILE 18 2HD1 ILE 18 -1.397 9.059 -5.443 151 H PHE 19 H PHE 19 1.300 7.611 -1.092 152 HA PHE 19 HA PHE 19 2.860 5.663 -2.427 153 HB2 PHE 19 2HB PHE 19 2.742 6.877 0.233 154 HB3 PHE 19 1HB PHE 19 3.263 5.192 0.262 155 HD1 PHE 19 2HD PHE 19 4.965 4.559 -1.718 156 HD2 PHE 19 1HD PHE 19 4.388 8.500 -0.107 157 HE1 PHE 19 2HE PHE 19 7.205 5.228 -2.548 158 HE2 PHE 19 1HE PHE 19 6.626 9.167 -0.936 159 HZ PHE 19 HZ PHE 19 8.035 7.531 -2.157 160 H SER 20 H SER 20 0.253 5.400 -0.027 161 HA SER 20 HA SER 20 0.347 2.569 0.170 162 HB2 SER 20 2HB SER 20 -0.959 4.553 1.531 163 HB3 SER 20 1HB SER 20 -2.273 3.828 0.612 164 HG SER 20 HG SER 20 -1.823 2.830 2.685 165 H LEU 21 H LEU 21 -1.523 4.793 -1.875 166 HA LEU 21 HA LEU 21 -3.279 2.964 -3.012 167 HB2 LEU 21 2HB LEU 21 -3.422 5.423 -3.278 168 HB3 LEU 21 1HB LEU 21 -1.990 5.383 -4.305 169 HG LEU 21 HG LEU 21 -3.898 3.425 -5.204 170 HD11 LEU 21 1HD1 LEU 21 -5.543 4.959 -4.152 171 HD12 LEU 21 2HD1 LEU 21 -5.690 4.941 -5.910 172 HD13 LEU 21 3HD1 LEU 21 -4.886 6.289 -5.105 173 HD21 LEU 21 3HD2 LEU 21 -2.905 5.990 -6.479 174 HD22 LEU 21 1HD2 LEU 21 -3.577 4.594 -7.321 175 HD23 LEU 21 2HD2 LEU 21 -2.025 4.463 -6.494 176 H ILE 22 H ILE 22 0.036 3.841 -3.888 177 HA ILE 22 HA ILE 22 0.142 2.318 -6.285 178 HB ILE 22 HB ILE 22 2.341 3.271 -4.438 179 HG12 ILE 22 2HG1 ILE 22 1.652 4.329 -7.174 180 HG13 ILE 22 1HG1 ILE 22 0.764 4.887 -5.758 181 HG21 ILE 22 1HG2 ILE 22 3.461 1.623 -5.616 182 HG22 ILE 22 2HG2 ILE 22 3.594 2.950 -6.769 183 HG23 ILE 22 3HG2 ILE 22 2.360 1.710 -6.991 184 HD11 ILE 22 3HD1 ILE 22 3.779 4.881 -5.792 185 HD12 ILE 22 1HD1 ILE 22 2.692 5.813 -4.763 186 HD13 ILE 22 2HD1 ILE 22 2.864 6.230 -6.467 187 H VAL 23 H VAL 23 0.952 1.596 -2.925 188 HA VAL 23 HA VAL 23 2.075 -0.975 -3.426 189 HB VAL 23 HB VAL 23 0.911 0.296 -0.941 190 HG11 VAL 23 1HG1 VAL 23 1.989 -2.454 -1.458 191 HG12 VAL 23 2HG1 VAL 23 0.657 -1.954 -0.416 192 HG13 VAL 23 3HG1 VAL 23 2.324 -1.683 0.092 193 HG21 VAL 23 3HG2 VAL 23 3.039 1.224 -1.880 194 HG22 VAL 23 1HG2 VAL 23 3.760 -0.380 -1.740 195 HG23 VAL 23 2HG2 VAL 23 3.256 0.490 -0.290 196 H THR 24 H THR 24 -1.129 0.073 -2.271 197 HA THR 24 HA THR 24 -2.298 -2.459 -2.044 198 HB THR 24 HB THR 24 -3.531 0.217 -2.728 199 HG1 THR 24 1HG THR 24 -2.536 -0.033 -0.667 200 HG21 THR 24 3HG2 THR 24 -5.246 -1.156 -3.407 201 HG22 THR 24 1HG2 THR 24 -5.568 -1.165 -1.673 202 HG23 THR 24 2HG2 THR 24 -4.699 -2.507 -2.416 203 H TYR 25 H TYR 25 -1.739 -0.419 -4.839 204 HA TYR 25 HA TYR 25 -3.461 -1.791 -6.641 205 HB2 TYR 25 2HB TYR 25 -2.602 0.462 -7.109 206 HB3 TYR 25 1HB TYR 25 -0.960 -0.177 -7.202 207 HD1 TYR 25 1HD TYR 25 -4.360 -0.493 -8.722 208 HD2 TYR 25 2HD TYR 25 -0.135 -1.094 -9.212 209 HE1 TYR 25 1HE TYR 25 -4.720 -1.075 -11.105 210 HE2 TYR 25 2HE TYR 25 -0.496 -1.676 -11.596 211 HH TYR 25 HH TYR 25 -2.449 -1.040 -13.368 212 H CYS 26 H CYS 26 0.043 -2.028 -6.030 213 HA CYS 26 HA CYS 26 0.605 -4.046 -7.895 214 HB2 CYS 26 2HB CYS 26 1.923 -3.441 -5.237 215 HB3 CYS 26 1HB CYS 26 2.593 -4.512 -6.468 216 HG CYS 26 HG CYS 26 2.471 -2.313 -8.096 217 H ILE 27 H ILE 27 -0.712 -4.185 -4.645 218 HA ILE 27 HA ILE 27 -0.447 -7.035 -4.367 219 HB ILE 27 HB ILE 27 -2.007 -4.939 -2.862 220 HG12 ILE 27 2HG1 ILE 27 0.082 -6.738 -1.705 221 HG13 ILE 27 1HG1 ILE 27 0.611 -5.437 -2.772 222 HG21 ILE 27 1HG2 ILE 27 -2.140 -7.921 -2.747 223 HG22 ILE 27 2HG2 ILE 27 -3.399 -6.727 -2.428 224 HG23 ILE 27 3HG2 ILE 27 -2.154 -7.041 -1.219 225 HD11 ILE 27 3HD1 ILE 27 -1.237 -5.005 -0.412 226 HD12 ILE 27 1HD1 ILE 27 -0.439 -3.772 -1.386 227 HD13 ILE 27 2HD1 ILE 27 0.514 -4.808 -0.323 228 H ASN 28 H ASN 28 -3.035 -4.825 -5.328 229 HA ASN 28 HA ASN 28 -5.128 -6.689 -5.487 230 HB2 ASN 28 2HB ASN 28 -4.598 -4.134 -7.009 231 HB3 ASN 28 1HB ASN 28 -6.087 -5.064 -7.182 232 HD21 ASN 28 1HD2 ASN 28 -5.473 -2.317 -5.881 233 HD22 ASN 28 2HD2 ASN 28 -6.185 -2.440 -4.346 234 H ALA 29 H ALA 29 -2.479 -5.983 -7.661 235 HA ALA 29 HA ALA 29 -3.578 -7.453 -9.884 236 HB1 ALA 29 1HB ALA 29 -0.688 -7.130 -9.919 237 HB2 ALA 29 2HB ALA 29 -1.515 -5.616 -9.554 238 HB3 ALA 29 3HB ALA 29 -1.901 -6.495 -11.031 239 H LYS 30 H LYS 30 -0.995 -8.032 -7.516 240 HA LYS 30 HA LYS 30 -0.338 -10.636 -8.423 241 HB2 LYS 30 2HB LYS 30 0.014 -9.343 -5.709 242 HB3 LYS 30 1HB LYS 30 0.734 -10.882 -6.180 243 HG2 LYS 30 2HG LYS 30 1.158 -8.582 -8.025 244 HG3 LYS 30 1HG LYS 30 2.023 -8.539 -6.489 245 HD2 LYS 30 2HD LYS 30 2.044 -11.070 -8.104 246 HD3 LYS 30 1HD LYS 30 3.104 -9.741 -8.572 247 HE2 LYS 30 2HE LYS 30 4.326 -9.832 -6.588 248 HE3 LYS 30 1HE LYS 30 3.015 -10.611 -5.700 249 HZ1 LYS 30 3HZ LYS 30 5.167 -11.830 -6.944 250 HZ2 LYS 30 1HZ LYS 30 3.805 -12.228 -7.874 251 HZ3 LYS 30 2HZ LYS 30 3.833 -12.585 -6.213 252 H ALA 31 H ALA 31 -2.977 -9.421 -6.588 253 HA ALA 31 HA ALA 31 -3.635 -11.691 -5.052 254 HB1 ALA 31 1HB ALA 31 -5.481 -9.605 -6.235 255 HB2 ALA 31 2HB ALA 31 -4.644 -9.472 -4.688 256 HB3 ALA 31 3HB ALA 31 -5.880 -10.710 -4.919 257 H ASP 32 H ASP 32 -3.664 -11.207 -8.394 258 HA ASP 32 HA ASP 32 -5.869 -12.700 -9.239 259 HB2 ASP 32 2HB ASP 32 -3.160 -12.233 -10.475 260 HB3 ASP 32 1HB ASP 32 -4.415 -13.163 -11.288 261 H VAL 33 H VAL 33 -2.861 -13.680 -7.874 262 HA VAL 33 HA VAL 33 -2.923 -16.401 -8.750 263 HB VAL 33 HB VAL 33 -1.505 -15.166 -6.374 264 HG11 VAL 33 1HG1 VAL 33 0.027 -17.216 -6.906 265 HG12 VAL 33 2HG1 VAL 33 -1.403 -17.864 -7.710 266 HG13 VAL 33 3HG1 VAL 33 -1.458 -17.483 -5.989 267 HG21 VAL 33 3HG2 VAL 33 -1.090 -14.996 -9.236 268 HG22 VAL 33 1HG2 VAL 33 0.270 -15.820 -8.472 269 HG23 VAL 33 2HG2 VAL 33 -0.193 -14.204 -7.940 270 H LEU 34 H LEU 34 -4.353 -14.637 -6.110 271 HA LEU 34 HA LEU 34 -5.030 -16.985 -4.584 272 HB2 LEU 34 2HB LEU 34 -5.760 -14.067 -4.368 273 HB3 LEU 34 1HB LEU 34 -6.477 -15.278 -3.310 274 HG LEU 34 HG LEU 34 -4.469 -14.194 -2.297 275 HD11 LEU 34 1HD1 LEU 34 -5.156 -16.829 -2.256 276 HD12 LEU 34 2HD1 LEU 34 -3.854 -16.141 -1.283 277 HD13 LEU 34 3HD1 LEU 34 -3.489 -16.931 -2.816 278 HD21 LEU 34 3HD2 LEU 34 -2.326 -14.358 -3.262 279 HD22 LEU 34 1HD2 LEU 34 -3.358 -14.013 -4.649 280 HD23 LEU 34 2HD2 LEU 34 -2.810 -15.663 -4.344 281 H PHE 35 H PHE 35 -6.538 -14.960 -6.907 282 HA PHE 35 HA PHE 35 -9.157 -16.136 -6.586 283 HB2 PHE 35 2HB PHE 35 -7.994 -14.167 -8.537 284 HB3 PHE 35 1HB PHE 35 -9.585 -14.874 -8.797 285 HD1 PHE 35 2HD PHE 35 -7.667 -13.489 -5.874 286 HD2 PHE 35 1HD PHE 35 -11.362 -13.553 -8.065 287 HE1 PHE 35 2HE PHE 35 -8.646 -11.878 -4.268 288 HE2 PHE 35 1HE PHE 35 -12.341 -11.939 -6.457 289 HZ PHE 35 HZ PHE 35 -10.983 -11.100 -4.559 290 H ILE 36 H ILE 36 -6.346 -16.794 -8.404 291 HA ILE 36 HA ILE 36 -7.746 -18.587 -10.239 292 HB ILE 36 HB ILE 36 -4.848 -17.760 -10.052 293 HG12 ILE 36 2HG1 ILE 36 -6.879 -17.230 -12.232 294 HG13 ILE 36 1HG1 ILE 36 -6.624 -16.112 -10.897 295 HG21 ILE 36 1HG2 ILE 36 -5.163 -18.907 -12.508 296 HG22 ILE 36 2HG2 ILE 36 -6.226 -19.922 -11.533 297 HG23 ILE 36 3HG2 ILE 36 -4.522 -19.759 -11.105 298 HD11 ILE 36 3HD1 ILE 36 -4.610 -16.979 -12.986 299 HD12 ILE 36 1HD1 ILE 36 -4.155 -16.109 -11.520 300 HD13 ILE 36 2HD1 ILE 36 -5.228 -15.353 -12.698 301 H ALA 37 H ALA 37 -4.691 -18.966 -8.536 302 HA ALA 37 HA ALA 37 -4.975 -21.784 -8.288 303 HB1 ALA 37 1HB ALA 37 -2.961 -19.824 -7.703 304 HB2 ALA 37 2HB ALA 37 -2.784 -21.568 -7.886 305 HB3 ALA 37 3HB ALA 37 -3.164 -20.883 -6.307 306 HA PRO 38 HA PRO 38 -7.296 -22.781 -4.703 307 HB2 PRO 38 2HB PRO 38 -4.748 -23.427 -3.279 308 HB3 PRO 38 1HB PRO 38 -6.224 -24.395 -3.446 309 HG2 PRO 38 2HG PRO 38 -3.966 -24.827 -4.888 310 HG3 PRO 38 1HG PRO 38 -5.591 -25.252 -5.445 311 HD2 PRO 38 2HD PRO 38 -3.796 -23.181 -6.460 312 HD3 PRO 38 1HD PRO 38 -5.301 -23.801 -7.167 313 H ARG 39 H ARG 39 -8.027 -21.763 -2.845 314 HA ARG 39 HA ARG 39 -6.486 -19.399 -1.970 315 HB2 ARG 39 2HB ARG 39 -8.550 -18.373 -1.381 316 HB3 ARG 39 1HB ARG 39 -8.806 -19.097 -2.970 317 HG2 ARG 39 2HG ARG 39 -9.592 -21.186 -1.579 318 HG3 ARG 39 1HG ARG 39 -9.827 -20.000 -0.294 319 HD2 ARG 39 2HD ARG 39 -11.255 -18.659 -1.794 320 HD3 ARG 39 1HD ARG 39 -11.025 -19.847 -3.074 321 HE ARG 39 HE ARG 39 -12.771 -20.100 -0.784 322 HH11 ARG 39 1HH2 ARG 39 -10.903 -21.728 -3.199 323 HH12 ARG 39 2HH2 ARG 39 -11.848 -23.179 -3.149 324 HH21 ARG 39 1HH1 ARG 39 -14.014 -22.000 -0.711 325 HH22 ARG 39 2HH1 ARG 39 -13.608 -23.332 -1.740 326 H GLU 40 H GLU 40 -5.756 -19.285 0.053 327 HA GLU 40 HA GLU 40 -6.526 -21.439 1.906 328 HB2 GLU 40 2HB GLU 40 -4.370 -20.035 3.007 329 HB3 GLU 40 1HB GLU 40 -4.306 -21.599 2.194 330 HG2 GLU 40 2HG GLU 40 -3.954 -20.503 0.039 331 HG3 GLU 40 1HG GLU 40 -4.105 -18.918 0.796 332 HA PRO 41 HA PRO 41 -8.585 -18.718 4.676 333 HB2 PRO 41 2HB PRO 41 -7.602 -19.528 7.126 334 HB3 PRO 41 1HB PRO 41 -8.835 -20.411 6.206 335 HG2 PRO 41 2HG PRO 41 -5.913 -20.921 6.430 336 HG3 PRO 41 1HG PRO 41 -7.261 -22.071 6.369 337 HD2 PRO 41 2HD PRO 41 -5.690 -21.569 4.210 338 HD3 PRO 41 1HD PRO 41 -7.413 -21.981 4.056 339 H GLY 42 H GLY 42 -8.105 -17.274 6.736 340 HA2 GLY 42 2HA GLY 42 -6.336 -16.001 7.889 341 HA3 GLY 42 1HA GLY 42 -5.502 -15.911 6.341 342 H ALA 43 H ALA 43 -8.971 -15.575 6.574 343 HA ALA 43 HA ALA 43 -10.322 -13.860 5.805 344 HB1 ALA 43 1HB ALA 43 -8.767 -12.977 8.109 345 HB2 ALA 43 2HB ALA 43 -10.483 -12.763 7.763 346 HB3 ALA 43 3HB ALA 43 -9.302 -11.631 7.102 347 H VAL 44 H VAL 44 -9.843 -13.651 3.636 348 HA VAL 44 HA VAL 44 -7.894 -11.532 2.941 349 HB VAL 44 HB VAL 44 -8.630 -13.968 1.303 350 HG11 VAL 44 1HG1 VAL 44 -6.708 -11.668 0.862 351 HG12 VAL 44 2HG1 VAL 44 -8.100 -12.097 -0.131 352 HG13 VAL 44 3HG1 VAL 44 -6.689 -13.154 -0.090 353 HG21 VAL 44 3HG2 VAL 44 -7.211 -14.428 3.321 354 HG22 VAL 44 1HG2 VAL 44 -6.035 -13.265 2.710 355 HG23 VAL 44 2HG2 VAL 44 -6.373 -14.739 1.801 356 H SER 45 H SER 45 -8.602 -9.907 1.681 357 HA SER 45 HA SER 45 -10.207 -8.472 0.823 358 HB2 SER 45 2HB SER 45 -11.330 -9.503 -1.216 359 HB3 SER 45 1HB SER 45 -9.569 -9.532 -1.204 360 HG SER 45 HG SER 45 -11.303 -11.641 -0.409 361 H TYR 46 H TYR 46 -11.656 -8.112 2.485 362 HA TYR 46 HA TYR 46 -13.990 -9.915 2.648 363 HB2 TYR 46 2HB TYR 46 -13.141 -9.755 4.809 364 HB3 TYR 46 1HB TYR 46 -12.670 -8.067 4.608 365 HD1 TYR 46 1HD TYR 46 -15.856 -9.993 4.101 366 HD2 TYR 46 2HD TYR 46 -13.919 -6.643 5.967 367 HE1 TYR 46 1HE TYR 46 -18.025 -9.276 5.064 368 HE2 TYR 46 2HE TYR 46 -16.090 -5.925 6.930 369 HH TYR 46 HH TYR 46 -18.252 -6.365 7.118 Start of MODEL 19 1 H ALA 1 1HT ALA 1 0.414 31.709 11.521 2 HA ALA 1 HA ALA 1 -1.169 31.618 13.252 3 HB1 ALA 1 2HB ALA 1 -2.999 32.759 12.122 4 HB2 ALA 1 3HB ALA 1 -3.575 31.196 12.702 5 HB3 ALA 1 1HB ALA 1 -3.187 31.414 10.996 6 H SER 2 H SER 2 0.630 29.839 12.327 7 HA SER 2 HA SER 2 1.144 27.601 12.359 8 HB2 SER 2 2HB SER 2 -0.070 26.300 13.790 9 HB3 SER 2 1HB SER 2 -0.795 27.850 14.211 10 HG SER 2 HG SER 2 -1.918 25.693 13.065 11 H LYS 3 H LYS 3 -0.803 29.021 10.225 12 HA LYS 3 HA LYS 3 -2.108 26.914 8.873 13 HB2 LYS 3 2HB LYS 3 -2.159 29.581 8.597 14 HB3 LYS 3 1HB LYS 3 -1.042 29.192 7.289 15 HG2 LYS 3 2HG LYS 3 -2.733 27.453 6.521 16 HG3 LYS 3 1HG LYS 3 -3.863 28.164 7.672 17 HD2 LYS 3 2HD LYS 3 -3.672 30.338 6.568 18 HD3 LYS 3 1HD LYS 3 -2.468 29.692 5.455 19 HE2 LYS 3 2HE LYS 3 -4.025 28.466 4.260 20 HE3 LYS 3 1HE LYS 3 -5.100 28.286 5.647 21 HZ1 LYS 3 3HZ LYS 3 -6.103 30.241 5.240 22 HZ2 LYS 3 1HZ LYS 3 -5.549 29.985 3.657 23 HZ3 LYS 3 2HZ LYS 3 -4.680 31.000 4.706 24 H GLU 4 H GLU 4 1.192 28.038 8.891 25 HA GLU 4 HA GLU 4 2.111 26.934 6.478 26 HB2 GLU 4 2HB GLU 4 3.294 28.462 8.268 27 HB3 GLU 4 1HB GLU 4 3.846 26.916 8.917 28 HG2 GLU 4 2HG GLU 4 5.541 27.302 7.399 29 HG3 GLU 4 1HG GLU 4 4.406 26.451 6.353 30 H LEU 5 H LEU 5 2.200 25.547 9.767 31 HA LEU 5 HA LEU 5 3.188 23.016 8.932 32 HB2 LEU 5 2HB LEU 5 1.677 23.798 11.437 33 HB3 LEU 5 1HB LEU 5 2.529 22.271 11.197 34 HG LEU 5 HG LEU 5 4.077 24.753 10.661 35 HD11 LEU 5 1HD1 LEU 5 2.985 25.443 12.696 36 HD12 LEU 5 2HD1 LEU 5 4.608 24.908 13.131 37 HD13 LEU 5 3HD1 LEU 5 3.226 23.854 13.427 38 HD21 LEU 5 3HD2 LEU 5 5.888 23.417 11.422 39 HD22 LEU 5 1HD2 LEU 5 4.858 22.297 10.531 40 HD23 LEU 5 2HD2 LEU 5 4.817 22.320 12.294 41 H GLU 6 H GLU 6 -0.068 24.265 9.573 42 HA GLU 6 HA GLU 6 -1.525 21.901 9.411 43 HB2 GLU 6 2HB GLU 6 -2.535 24.045 10.033 44 HB3 GLU 6 1HB GLU 6 -2.298 24.641 8.392 45 HG2 GLU 6 2HG GLU 6 -3.838 23.055 7.488 46 HG3 GLU 6 1HG GLU 6 -3.889 22.144 8.996 47 H LEU 7 H LEU 7 -0.408 24.029 6.796 48 HA LEU 7 HA LEU 7 -1.657 22.607 4.683 49 HB2 LEU 7 2HB LEU 7 -0.789 24.926 4.482 50 HB3 LEU 7 1HB LEU 7 0.856 24.294 4.586 51 HG LEU 7 HG LEU 7 -0.551 22.776 2.610 52 HD11 LEU 7 1HD1 LEU 7 -0.737 25.784 2.275 53 HD12 LEU 7 2HD1 LEU 7 -2.093 24.664 2.416 54 HD13 LEU 7 3HD1 LEU 7 -1.043 24.606 0.999 55 HD21 LEU 7 3HD2 LEU 7 1.608 24.895 2.348 56 HD22 LEU 7 1HD2 LEU 7 1.244 23.635 1.169 57 HD23 LEU 7 2HD2 LEU 7 1.895 23.202 2.749 58 H ILE 8 H ILE 8 1.669 22.516 5.963 59 HA ILE 8 HA ILE 8 2.667 20.554 4.220 60 HB ILE 8 HB ILE 8 3.442 21.151 7.087 61 HG12 ILE 8 2HG1 ILE 8 4.710 22.054 4.483 62 HG13 ILE 8 1HG1 ILE 8 3.574 23.039 5.409 63 HG21 ILE 8 1HG2 ILE 8 4.358 19.155 5.154 64 HG22 ILE 8 2HG2 ILE 8 4.728 19.303 6.871 65 HG23 ILE 8 3HG2 ILE 8 5.661 20.218 5.688 66 HD11 ILE 8 3HD1 ILE 8 6.352 22.882 5.792 67 HD12 ILE 8 1HD1 ILE 8 5.652 21.969 7.130 68 HD13 ILE 8 2HD1 ILE 8 5.181 23.648 6.867 69 H THR 9 H THR 9 0.885 20.288 7.253 70 HA THR 9 HA THR 9 1.209 17.497 7.615 71 HB THR 9 HB THR 9 -0.982 19.369 8.540 72 HG1 THR 9 1HG THR 9 0.995 18.227 10.152 73 HG21 THR 9 3HG2 THR 9 -2.072 17.453 9.054 74 HG22 THR 9 1HG2 THR 9 -0.851 17.259 10.312 75 HG23 THR 9 2HG2 THR 9 -0.646 16.459 8.754 76 H LEU 10 H LEU 10 -1.372 19.420 6.094 77 HA LEU 10 HA LEU 10 -3.057 17.286 5.395 78 HB2 LEU 10 2HB LEU 10 -2.780 20.113 4.701 79 HB3 LEU 10 1HB LEU 10 -3.391 19.137 3.365 80 HG LEU 10 HG LEU 10 -5.137 18.205 4.834 81 HD11 LEU 10 1HD1 LEU 10 -4.617 18.202 7.042 82 HD12 LEU 10 2HD1 LEU 10 -5.214 19.862 7.041 83 HD13 LEU 10 3HD1 LEU 10 -3.487 19.545 6.865 84 HD21 LEU 10 3HD2 LEU 10 -5.004 20.794 3.799 85 HD22 LEU 10 1HD2 LEU 10 -5.592 21.026 5.446 86 HD23 LEU 10 2HD2 LEU 10 -6.466 19.968 4.339 87 H THR 11 H THR 11 -0.239 18.657 3.790 88 HA THR 11 HA THR 11 -0.541 17.239 1.339 89 HB THR 11 HB THR 11 1.887 18.470 2.661 90 HG1 THR 11 1HG THR 11 1.335 19.810 0.609 91 HG21 THR 11 3HG2 THR 11 2.740 18.358 0.223 92 HG22 THR 11 1HG2 THR 11 1.503 17.122 -0.008 93 HG23 THR 11 2HG2 THR 11 2.788 16.873 1.173 94 H VAL 12 H VAL 12 1.389 16.627 4.267 95 HA VAL 12 HA VAL 12 2.663 14.289 3.415 96 HB VAL 12 HB VAL 12 1.726 14.984 6.211 97 HG11 VAL 12 1HG1 VAL 12 4.089 13.601 6.422 98 HG12 VAL 12 2HG1 VAL 12 3.318 12.781 5.064 99 HG13 VAL 12 3HG1 VAL 12 2.491 12.883 6.618 100 HG21 VAL 12 3HG2 VAL 12 4.540 15.385 5.635 101 HG22 VAL 12 1HG2 VAL 12 3.363 16.536 6.268 102 HG23 VAL 12 2HG2 VAL 12 3.541 16.324 4.525 103 H GLY 13 H GLY 13 -0.526 14.772 4.807 104 HA2 GLY 13 2HA GLY 13 -1.170 12.035 5.215 105 HA3 GLY 13 1HA GLY 13 -2.320 13.368 5.122 106 H PHE 14 H PHE 14 -1.756 14.311 2.572 107 HA PHE 14 HA PHE 14 -3.298 12.537 0.971 108 HB2 PHE 14 2HB PHE 14 -3.299 15.003 0.662 109 HB3 PHE 14 1HB PHE 14 -1.627 14.917 0.104 110 HD1 PHE 14 1HD PHE 14 -4.970 13.354 -0.564 111 HD2 PHE 14 2HD PHE 14 -1.224 14.686 -2.191 112 HE1 PHE 14 1HE PHE 14 -5.768 12.810 -2.849 113 HE2 PHE 14 2HE PHE 14 -2.023 14.143 -4.475 114 HZ PHE 14 HZ PHE 14 -4.294 13.205 -4.803 115 H GLY 15 H GLY 15 0.127 13.171 1.354 116 HA2 GLY 15 2HA GLY 15 0.965 11.699 -0.979 117 HA3 GLY 15 1HA GLY 15 2.001 12.211 0.351 118 H ILE 16 H ILE 16 0.427 10.947 2.414 119 HA ILE 16 HA ILE 16 1.616 8.339 2.338 120 HB ILE 16 HB ILE 16 -0.338 9.653 4.225 121 HG12 ILE 16 2HG1 ILE 16 2.451 8.705 4.835 122 HG13 ILE 16 1HG1 ILE 16 2.213 10.237 3.992 123 HG21 ILE 16 1HG2 ILE 16 0.620 6.831 4.044 124 HG22 ILE 16 2HG2 ILE 16 -0.915 7.461 4.643 125 HG23 ILE 16 3HG2 ILE 16 0.531 7.561 5.647 126 HD11 ILE 16 3HD1 ILE 16 0.793 9.551 6.570 127 HD12 ILE 16 1HD1 ILE 16 0.907 11.126 5.789 128 HD13 ILE 16 2HD1 ILE 16 2.337 10.404 6.527 129 H LEU 17 H LEU 17 -1.590 9.614 1.732 130 HA LEU 17 HA LEU 17 -2.955 7.112 1.646 131 HB2 LEU 17 2HB LEU 17 -3.633 9.839 1.339 132 HB3 LEU 17 1HB LEU 17 -4.125 9.027 -0.147 133 HG LEU 17 HG LEU 17 -5.294 7.299 1.225 134 HD11 LEU 17 1HD1 LEU 17 -5.568 8.691 3.678 135 HD12 LEU 17 2HD1 LEU 17 -3.840 8.632 3.332 136 HD13 LEU 17 3HD1 LEU 17 -4.774 7.138 3.410 137 HD21 LEU 17 3HD2 LEU 17 -6.166 9.827 0.563 138 HD22 LEU 17 1HD2 LEU 17 -6.484 9.778 2.297 139 HD23 LEU 17 2HD2 LEU 17 -7.192 8.560 1.237 140 H ILE 18 H ILE 18 -1.403 9.101 -0.843 141 HA ILE 18 HA ILE 18 -2.145 7.514 -3.057 142 HB ILE 18 HB ILE 18 0.208 9.356 -2.608 143 HG12 ILE 18 2HG1 ILE 18 -2.292 9.706 -4.287 144 HG13 ILE 18 1HG1 ILE 18 -2.159 10.275 -2.622 145 HG21 ILE 18 1HG2 ILE 18 -0.502 7.562 -4.865 146 HG22 ILE 18 2HG2 ILE 18 1.067 8.216 -4.399 147 HG23 ILE 18 3HG2 ILE 18 -0.070 9.216 -5.304 148 HD11 ILE 18 3HD1 ILE 18 -1.496 11.801 -4.763 149 HD12 ILE 18 1HD1 ILE 18 0.065 11.051 -4.430 150 HD13 ILE 18 2HD1 ILE 18 -0.749 11.989 -3.177 151 H PHE 19 H PHE 19 0.602 7.370 -0.835 152 HA PHE 19 HA PHE 19 2.050 5.367 -2.240 153 HB2 PHE 19 2HB PHE 19 2.292 6.828 0.236 154 HB3 PHE 19 1HB PHE 19 2.633 5.119 0.504 155 HD1 PHE 19 1HD PHE 19 4.146 3.974 -1.347 156 HD2 PHE 19 2HD PHE 19 4.007 8.196 -0.573 157 HE1 PHE 19 1HE PHE 19 6.367 4.242 -2.418 158 HE2 PHE 19 2HE PHE 19 6.227 8.466 -1.644 159 HZ PHE 19 HZ PHE 19 7.408 6.488 -2.567 160 H SER 20 H SER 20 -0.240 5.231 0.481 161 HA SER 20 HA SER 20 -0.112 2.434 0.844 162 HB2 SER 20 2HB SER 20 -2.539 2.917 1.790 163 HB3 SER 20 1HB SER 20 -1.108 3.482 2.650 164 HG SER 20 HG SER 20 -3.092 4.905 1.581 165 H LEU 21 H LEU 21 -2.063 4.468 -1.287 166 HA LEU 21 HA LEU 21 -3.875 2.491 -2.105 167 HB2 LEU 21 2HB LEU 21 -4.270 4.859 -2.537 168 HB3 LEU 21 1HB LEU 21 -2.827 4.947 -3.544 169 HG LEU 21 HG LEU 21 -3.812 3.354 -5.126 170 HD11 LEU 21 1HD1 LEU 21 -5.896 3.221 -2.991 171 HD12 LEU 21 2HD1 LEU 21 -5.235 1.929 -3.994 172 HD13 LEU 21 3HD1 LEU 21 -6.421 3.048 -4.666 173 HD21 LEU 21 3HD2 LEU 21 -5.932 5.422 -4.601 174 HD22 LEU 21 1HD2 LEU 21 -5.301 4.850 -6.145 175 HD23 LEU 21 2HD2 LEU 21 -4.318 5.900 -5.125 176 H ILE 22 H ILE 22 -0.715 3.495 -3.338 177 HA ILE 22 HA ILE 22 -0.736 1.812 -5.631 178 HB ILE 22 HB ILE 22 1.543 3.049 -4.075 179 HG12 ILE 22 2HG1 ILE 22 0.408 3.750 -6.798 180 HG13 ILE 22 1HG1 ILE 22 -0.128 4.524 -5.306 181 HG21 ILE 22 1HG2 ILE 22 2.793 1.493 -5.182 182 HG22 ILE 22 2HG2 ILE 22 2.524 2.544 -6.573 183 HG23 ILE 22 3HG2 ILE 22 1.503 1.127 -6.328 184 HD11 ILE 22 3HD1 ILE 22 2.812 4.400 -5.896 185 HD12 ILE 22 1HD1 ILE 22 1.910 5.596 -4.967 186 HD13 ILE 22 2HD1 ILE 22 1.823 5.600 -6.728 187 H VAL 23 H VAL 23 0.142 1.318 -2.289 188 HA VAL 23 HA VAL 23 1.553 -1.128 -2.631 189 HB VAL 23 HB VAL 23 0.142 0.104 -0.259 190 HG11 VAL 23 1HG1 VAL 23 1.748 -1.712 0.874 191 HG12 VAL 23 2HG1 VAL 23 1.424 -2.568 -0.634 192 HG13 VAL 23 3HG1 VAL 23 0.090 -2.102 0.420 193 HG21 VAL 23 3HG2 VAL 23 2.218 0.932 0.321 194 HG22 VAL 23 1HG2 VAL 23 2.427 0.892 -1.430 195 HG23 VAL 23 2HG2 VAL 23 3.079 -0.409 -0.435 196 H THR 24 H THR 24 -1.794 -0.424 -1.616 197 HA THR 24 HA THR 24 -2.618 -3.124 -1.471 198 HB THR 24 HB THR 24 -4.320 -0.687 -2.041 199 HG1 THR 24 1HG THR 24 -2.846 -1.300 0.060 200 HG21 THR 24 3HG2 THR 24 -5.640 -2.616 -2.420 201 HG22 THR 24 1HG2 THR 24 -6.000 -2.155 -0.757 202 HG23 THR 24 2HG2 THR 24 -4.894 -3.491 -1.082 203 H TYR 25 H TYR 25 -2.430 -0.824 -4.110 204 HA TYR 25 HA TYR 25 -4.046 -2.232 -5.968 205 HB2 TYR 25 2HB TYR 25 -3.462 0.107 -6.323 206 HB3 TYR 25 1HB TYR 25 -1.750 -0.310 -6.419 207 HD1 TYR 25 2HD TYR 25 -5.004 -1.406 -7.946 208 HD2 TYR 25 1HD TYR 25 -0.841 -0.539 -8.553 209 HE1 TYR 25 2HE TYR 25 -5.258 -1.879 -10.367 210 HE2 TYR 25 1HE TYR 25 -1.095 -1.013 -10.974 211 HH TYR 25 HH TYR 25 -4.080 -1.228 -12.500 212 H CYS 26 H CYS 26 -0.509 -2.130 -5.510 213 HA CYS 26 HA CYS 26 0.168 -3.966 -7.515 214 HB2 CYS 26 2HB CYS 26 1.538 -3.333 -4.893 215 HB3 CYS 26 1HB CYS 26 2.255 -4.312 -6.173 216 HG CYS 26 HG CYS 26 2.556 -1.458 -6.184 217 H ILE 27 H ILE 27 -0.965 -4.434 -4.227 218 HA ILE 27 HA ILE 27 -0.353 -7.228 -4.089 219 HB ILE 27 HB ILE 27 -2.241 -5.467 -2.519 220 HG12 ILE 27 2HG1 ILE 27 0.334 -6.822 -1.681 221 HG13 ILE 27 1HG1 ILE 27 0.292 -5.190 -2.343 222 HG21 ILE 27 1HG2 ILE 27 -2.078 -7.517 -0.907 223 HG22 ILE 27 2HG2 ILE 27 -1.665 -8.419 -2.366 224 HG23 ILE 27 3HG2 ILE 27 -3.216 -7.585 -2.253 225 HD11 ILE 27 3HD1 ILE 27 -0.075 -5.893 0.337 226 HD12 ILE 27 1HD1 ILE 27 -1.702 -5.543 -0.247 227 HD13 ILE 27 2HD1 ILE 27 -0.433 -4.326 -0.387 228 H ASN 28 H ASN 28 -3.286 -5.375 -4.860 229 HA ASN 28 HA ASN 28 -4.998 -7.602 -5.193 230 HB2 ASN 28 2HB ASN 28 -5.092 -4.793 -6.298 231 HB3 ASN 28 1HB ASN 28 -6.375 -5.973 -6.555 232 HD21 ASN 28 1HD2 ASN 28 -6.507 -3.436 -4.966 233 HD22 ASN 28 2HD2 ASN 28 -6.945 -3.907 -3.396 234 H ALA 29 H ALA 29 -2.804 -5.923 -7.376 235 HA ALA 29 HA ALA 29 -3.700 -7.215 -9.759 236 HB1 ALA 29 1HB ALA 29 -0.977 -6.010 -9.228 237 HB2 ALA 29 2HB ALA 29 -2.399 -5.067 -9.678 238 HB3 ALA 29 3HB ALA 29 -1.746 -6.266 -10.796 239 H LYS 30 H LYS 30 -0.920 -7.753 -7.612 240 HA LYS 30 HA LYS 30 0.163 -9.957 -8.979 241 HB2 LYS 30 2HB LYS 30 0.247 -9.342 -6.014 242 HB3 LYS 30 1HB LYS 30 1.306 -10.470 -6.860 243 HG2 LYS 30 2HG LYS 30 1.146 -7.733 -8.002 244 HG3 LYS 30 1HG LYS 30 1.959 -7.877 -6.443 245 HD2 LYS 30 2HD LYS 30 3.446 -9.601 -7.352 246 HD3 LYS 30 1HD LYS 30 2.606 -9.527 -8.902 247 HE2 LYS 30 2HE LYS 30 4.609 -8.177 -9.076 248 HE3 LYS 30 1HE LYS 30 3.220 -7.092 -9.043 249 HZ1 LYS 30 3HZ LYS 30 5.307 -6.757 -7.478 250 HZ2 LYS 30 1HZ LYS 30 4.422 -7.805 -6.482 251 HZ3 LYS 30 2HZ LYS 30 3.735 -6.336 -6.989 252 H ALA 31 H ALA 31 -2.569 -9.680 -6.847 253 HA ALA 31 HA ALA 31 -2.816 -12.333 -5.985 254 HB1 ALA 31 1HB ALA 31 -4.304 -9.995 -5.748 255 HB2 ALA 31 2HB ALA 31 -4.697 -11.559 -5.031 256 HB3 ALA 31 3HB ALA 31 -5.378 -11.107 -6.594 257 H ASP 32 H ASP 32 -3.308 -10.920 -9.076 258 HA ASP 32 HA ASP 32 -4.974 -13.066 -10.084 259 HB2 ASP 32 2HB ASP 32 -3.642 -10.699 -11.407 260 HB3 ASP 32 1HB ASP 32 -4.589 -11.893 -12.292 261 H VAL 33 H VAL 33 -1.727 -12.719 -9.439 262 HA VAL 33 HA VAL 33 -0.896 -14.520 -11.618 263 HB VAL 33 HB VAL 33 0.797 -12.962 -9.652 264 HG11 VAL 33 1HG1 VAL 33 1.447 -14.636 -12.093 265 HG12 VAL 33 2HG1 VAL 33 1.968 -14.925 -10.434 266 HG13 VAL 33 3HG1 VAL 33 2.597 -13.540 -11.326 267 HG21 VAL 33 3HG2 VAL 33 -0.368 -11.447 -11.160 268 HG22 VAL 33 1HG2 VAL 33 0.039 -12.457 -12.548 269 HG23 VAL 33 2HG2 VAL 33 1.308 -11.581 -11.691 270 H LEU 34 H LEU 34 -1.288 -14.269 -8.163 271 HA LEU 34 HA LEU 34 -0.027 -16.875 -7.737 272 HB2 LEU 34 2HB LEU 34 -0.986 -14.703 -5.903 273 HB3 LEU 34 1HB LEU 34 -0.645 -16.315 -5.281 274 HG LEU 34 HG LEU 34 1.305 -14.719 -5.132 275 HD11 LEU 34 1HD1 LEU 34 1.248 -17.402 -5.865 276 HD12 LEU 34 2HD1 LEU 34 2.668 -16.515 -5.307 277 HD13 LEU 34 3HD1 LEU 34 2.350 -16.678 -7.033 278 HD21 LEU 34 3HD2 LEU 34 0.679 -13.679 -7.424 279 HD22 LEU 34 1HD2 LEU 34 1.530 -15.055 -8.125 280 HD23 LEU 34 2HD2 LEU 34 2.390 -13.925 -7.079 281 H PHE 35 H PHE 35 -3.039 -15.328 -6.875 282 HA PHE 35 HA PHE 35 -4.328 -17.883 -6.388 283 HB2 PHE 35 2HB PHE 35 -5.237 -15.030 -6.226 284 HB3 PHE 35 1HB PHE 35 -6.364 -16.374 -6.094 285 HD1 PHE 35 1HD PHE 35 -3.018 -15.353 -4.755 286 HD2 PHE 35 2HD PHE 35 -6.804 -17.212 -3.948 287 HE1 PHE 35 1HE PHE 35 -2.354 -15.676 -2.387 288 HE2 PHE 35 2HE PHE 35 -6.141 -17.537 -1.579 289 HZ PHE 35 HZ PHE 35 -3.916 -16.767 -0.799 290 H ILE 36 H ILE 36 -3.373 -17.286 -9.061 291 HA ILE 36 HA ILE 36 -5.134 -16.532 -10.986 292 HB ILE 36 HB ILE 36 -3.364 -18.985 -10.999 293 HG12 ILE 36 2HG1 ILE 36 -2.945 -16.426 -12.527 294 HG13 ILE 36 1HG1 ILE 36 -2.508 -16.507 -10.821 295 HG21 ILE 36 1HG2 ILE 36 -3.684 -18.304 -13.615 296 HG22 ILE 36 2HG2 ILE 36 -5.288 -17.917 -12.990 297 HG23 ILE 36 3HG2 ILE 36 -4.641 -19.548 -12.811 298 HD11 ILE 36 3HD1 ILE 36 -0.972 -18.305 -11.203 299 HD12 ILE 36 1HD1 ILE 36 -0.642 -17.101 -12.449 300 HD13 ILE 36 2HD1 ILE 36 -1.568 -18.550 -12.844 301 H ALA 37 H ALA 37 -4.914 -19.987 -10.727 302 HA ALA 37 HA ALA 37 -7.767 -20.229 -11.178 303 HB1 ALA 37 1HB ALA 37 -7.074 -22.080 -12.230 304 HB2 ALA 37 2HB ALA 37 -6.666 -22.776 -10.662 305 HB3 ALA 37 3HB ALA 37 -5.448 -21.888 -11.576 306 HA PRO 38 HA PRO 38 -9.084 -20.986 -7.054 307 HB2 PRO 38 2HB PRO 38 -10.827 -23.085 -7.350 308 HB3 PRO 38 1HB PRO 38 -11.200 -21.422 -7.837 309 HG2 PRO 38 2HG PRO 38 -10.323 -23.728 -9.500 310 HG3 PRO 38 1HG PRO 38 -11.517 -22.470 -9.854 311 HD2 PRO 38 2HD PRO 38 -8.997 -22.434 -10.882 312 HD3 PRO 38 1HD PRO 38 -9.914 -20.951 -10.541 313 H ARG 39 H ARG 39 -9.422 -22.828 -5.377 314 HA ARG 39 HA ARG 39 -7.033 -24.521 -5.462 315 HB2 ARG 39 2HB ARG 39 -8.913 -23.692 -3.256 316 HB3 ARG 39 1HB ARG 39 -7.694 -24.946 -3.034 317 HG2 ARG 39 2HG ARG 39 -5.907 -23.426 -3.481 318 HG3 ARG 39 1HG ARG 39 -7.013 -22.197 -4.097 319 HD2 ARG 39 2HD ARG 39 -6.075 -22.043 -1.625 320 HD3 ARG 39 1HD ARG 39 -7.739 -21.589 -1.983 321 HE ARG 39 HE ARG 39 -7.557 -24.364 -1.339 322 HH11 ARG 39 1HH2 ARG 39 -7.489 -21.173 -0.005 323 HH12 ARG 39 2HH2 ARG 39 -8.087 -21.658 1.546 324 HH21 ARG 39 1HH1 ARG 39 -8.342 -25.010 0.692 325 HH22 ARG 39 2HH1 ARG 39 -8.569 -23.830 1.940 326 H GLU 40 H GLU 40 -7.073 -26.713 -5.443 327 HA GLU 40 HA GLU 40 -9.713 -27.964 -5.821 328 HB2 GLU 40 2HB GLU 40 -7.499 -29.678 -6.523 329 HB3 GLU 40 1HB GLU 40 -8.812 -29.087 -7.537 330 HG2 GLU 40 2HG GLU 40 -6.300 -27.530 -6.868 331 HG3 GLU 40 1HG GLU 40 -6.608 -28.371 -8.389 332 HA PRO 41 HA PRO 41 -9.712 -30.539 -2.270 333 HB2 PRO 41 2HB PRO 41 -9.180 -32.905 -4.014 334 HB3 PRO 41 1HB PRO 41 -10.445 -32.662 -2.799 335 HG2 PRO 41 2HG PRO 41 -10.898 -32.493 -5.452 336 HG3 PRO 41 1HG PRO 41 -11.814 -31.571 -4.248 337 HD2 PRO 41 2HD PRO 41 -9.843 -30.625 -6.206 338 HD3 PRO 41 1HD PRO 41 -11.064 -29.710 -5.301 339 H GLY 42 H GLY 42 -8.049 -30.544 -0.872 340 HA2 GLY 42 2HA GLY 42 -5.909 -30.710 -0.027 341 HA3 GLY 42 1HA GLY 42 -5.903 -32.269 -0.846 342 H ALA 43 H ALA 43 -5.948 -28.932 -2.090 343 HA ALA 43 HA ALA 43 -4.396 -29.279 -4.323 344 HB1 ALA 43 1HB ALA 43 -4.464 -27.027 -4.474 345 HB2 ALA 43 2HB ALA 43 -3.726 -26.810 -2.887 346 HB3 ALA 43 3HB ALA 43 -5.460 -27.104 -3.021 347 H VAL 44 H VAL 44 -2.276 -29.532 -4.798 348 HA VAL 44 HA VAL 44 -0.449 -29.913 -2.524 349 HB VAL 44 HB VAL 44 -0.154 -30.744 -5.420 350 HG11 VAL 44 1HG1 VAL 44 1.665 -30.694 -3.122 351 HG12 VAL 44 2HG1 VAL 44 2.022 -30.941 -4.832 352 HG13 VAL 44 3HG1 VAL 44 1.503 -32.300 -3.835 353 HG21 VAL 44 3HG2 VAL 44 -0.330 -32.904 -3.532 354 HG22 VAL 44 1HG2 VAL 44 -1.395 -32.547 -4.893 355 HG23 VAL 44 2HG2 VAL 44 -1.718 -31.837 -3.310 356 H SER 45 H SER 45 0.761 -28.204 -2.020 357 HA SER 45 HA SER 45 1.128 -25.880 -3.443 358 HB2 SER 45 2HB SER 45 2.221 -25.377 -1.555 359 HB3 SER 45 1HB SER 45 2.257 -27.080 -1.109 360 HG SER 45 HG SER 45 4.322 -25.754 -1.554 361 H TYR 46 H TYR 46 2.945 -25.031 -4.633 362 HA TYR 46 HA TYR 46 3.687 -26.453 -6.865 363 HB2 TYR 46 2HB TYR 46 4.411 -23.956 -5.656 364 HB3 TYR 46 1HB TYR 46 5.866 -24.744 -6.267 365 HD1 TYR 46 2HD TYR 46 2.296 -24.220 -7.316 366 HD2 TYR 46 1HD TYR 46 6.424 -24.347 -8.495 367 HE1 TYR 46 2HE TYR 46 1.654 -23.604 -9.631 368 HE2 TYR 46 1HE TYR 46 5.783 -23.731 -10.810 369 HH TYR 46 HH TYR 46 2.556 -22.706 -11.609 Start of MODEL 20 1 H ALA 1 1HT ALA 1 4.470 29.058 9.414 2 HA ALA 1 HA ALA 1 3.902 29.619 12.231 3 HB1 ALA 1 2HB ALA 1 2.895 31.409 11.306 4 HB2 ALA 1 3HB ALA 1 1.931 30.379 10.246 5 HB3 ALA 1 1HB ALA 1 3.543 30.896 9.748 6 H SER 2 H SER 2 1.323 29.475 12.489 7 HA SER 2 HA SER 2 0.692 26.777 12.835 8 HB2 SER 2 2HB SER 2 -1.056 29.231 12.654 9 HB3 SER 2 1HB SER 2 -1.699 27.633 13.022 10 HG SER 2 HG SER 2 0.101 27.662 14.676 11 H LYS 3 H LYS 3 -0.315 29.019 10.261 12 HA LYS 3 HA LYS 3 -1.904 27.196 8.817 13 HB2 LYS 3 2HB LYS 3 -1.245 29.863 8.568 14 HB3 LYS 3 1HB LYS 3 -0.461 29.135 7.165 15 HG2 LYS 3 2HG LYS 3 -2.610 28.010 6.590 16 HG3 LYS 3 1HG LYS 3 -3.379 28.849 7.938 17 HD2 LYS 3 2HD LYS 3 -3.732 30.618 6.594 18 HD3 LYS 3 1HD LYS 3 -1.986 30.816 6.443 19 HE2 LYS 3 2HE LYS 3 -2.958 30.570 4.218 20 HE3 LYS 3 1HE LYS 3 -1.993 29.143 4.592 21 HZ1 LYS 3 3HZ LYS 3 -3.816 27.837 4.768 22 HZ2 LYS 3 1HZ LYS 3 -4.454 28.977 3.685 23 HZ3 LYS 3 2HZ LYS 3 -4.813 29.089 5.342 24 H GLU 4 H GLU 4 1.554 27.912 8.709 25 HA GLU 4 HA GLU 4 2.217 26.453 6.402 26 HB2 GLU 4 2HB GLU 4 3.608 27.977 8.199 27 HB3 GLU 4 1HB GLU 4 4.195 26.357 8.577 28 HG2 GLU 4 2HG GLU 4 4.584 26.025 6.098 29 HG3 GLU 4 1HG GLU 4 4.235 27.741 5.886 30 H LEU 5 H LEU 5 2.235 25.457 9.824 31 HA LEU 5 HA LEU 5 3.041 22.789 9.367 32 HB2 LEU 5 2HB LEU 5 1.484 24.067 11.622 33 HB3 LEU 5 1HB LEU 5 2.004 22.381 11.639 34 HG LEU 5 HG LEU 5 4.115 24.326 10.929 35 HD11 LEU 5 1HD1 LEU 5 3.195 25.704 12.620 36 HD12 LEU 5 2HD1 LEU 5 4.427 24.764 13.462 37 HD13 LEU 5 3HD1 LEU 5 2.726 24.322 13.610 38 HD21 LEU 5 3HD2 LEU 5 4.035 22.138 13.025 39 HD22 LEU 5 1HD2 LEU 5 5.460 22.837 12.255 40 HD23 LEU 5 2HD2 LEU 5 4.360 21.825 11.321 41 H GLU 6 H GLU 6 -0.150 24.312 9.542 42 HA GLU 6 HA GLU 6 -1.733 22.004 9.478 43 HB2 GLU 6 2HB GLU 6 -2.431 24.470 9.796 44 HB3 GLU 6 1HB GLU 6 -2.485 24.536 8.034 45 HG2 GLU 6 2HG GLU 6 -4.691 23.948 8.669 46 HG3 GLU 6 1HG GLU 6 -3.954 22.424 8.178 47 H LEU 7 H LEU 7 -0.403 23.946 6.812 48 HA LEU 7 HA LEU 7 -1.569 22.439 4.717 49 HB2 LEU 7 2HB LEU 7 0.235 24.652 4.970 50 HB3 LEU 7 1HB LEU 7 0.915 23.484 3.838 51 HG LEU 7 HG LEU 7 -1.240 23.439 2.610 52 HD11 LEU 7 1HD1 LEU 7 -3.039 24.079 3.836 53 HD12 LEU 7 2HD1 LEU 7 -2.569 25.721 3.392 54 HD13 LEU 7 3HD1 LEU 7 -2.058 25.044 4.939 55 HD21 LEU 7 3HD2 LEU 7 0.463 24.960 1.810 56 HD22 LEU 7 1HD2 LEU 7 0.039 26.154 3.037 57 HD23 LEU 7 2HD2 LEU 7 -1.086 25.797 1.725 58 H ILE 8 H ILE 8 1.633 22.278 6.260 59 HA ILE 8 HA ILE 8 2.746 20.260 4.686 60 HB ILE 8 HB ILE 8 3.160 20.981 7.590 61 HG12 ILE 8 2HG1 ILE 8 5.012 21.326 5.223 62 HG13 ILE 8 1HG1 ILE 8 3.803 22.540 5.644 63 HG21 ILE 8 1HG2 ILE 8 5.343 19.630 7.179 64 HG22 ILE 8 2HG2 ILE 8 4.442 18.860 5.873 65 HG23 ILE 8 3HG2 ILE 8 3.867 18.734 7.534 66 HD11 ILE 8 3HD1 ILE 8 6.296 22.580 6.659 67 HD12 ILE 8 1HD1 ILE 8 5.523 21.544 7.859 68 HD13 ILE 8 2HD1 ILE 8 4.900 23.167 7.562 69 H THR 9 H THR 9 0.633 20.050 7.515 70 HA THR 9 HA THR 9 0.779 17.237 7.835 71 HB THR 9 HB THR 9 -1.486 19.102 8.585 72 HG1 THR 9 1HG THR 9 0.997 18.493 9.725 73 HG21 THR 9 3HG2 THR 9 -1.396 17.184 10.500 74 HG22 THR 9 1HG2 THR 9 -0.881 16.244 9.100 75 HG23 THR 9 2HG2 THR 9 -2.431 17.083 9.076 76 H LEU 10 H LEU 10 -1.444 19.349 6.047 77 HA LEU 10 HA LEU 10 -3.218 17.325 5.177 78 HB2 LEU 10 2HB LEU 10 -2.516 20.042 4.057 79 HB3 LEU 10 1HB LEU 10 -3.741 19.002 3.331 80 HG LEU 10 HG LEU 10 -3.890 19.482 6.277 81 HD11 LEU 10 1HD1 LEU 10 -4.488 21.509 4.122 82 HD12 LEU 10 2HD1 LEU 10 -3.615 21.742 5.637 83 HD13 LEU 10 3HD1 LEU 10 -5.364 21.518 5.653 84 HD21 LEU 10 3HD2 LEU 10 -6.153 18.995 5.962 85 HD22 LEU 10 1HD2 LEU 10 -5.409 18.008 4.705 86 HD23 LEU 10 2HD2 LEU 10 -6.144 19.556 4.289 87 H THR 11 H THR 11 -0.189 18.566 3.864 88 HA THR 11 HA THR 11 -0.327 17.235 1.364 89 HB THR 11 HB THR 11 2.045 18.198 2.976 90 HG1 THR 11 1HG THR 11 1.275 20.004 2.260 91 HG21 THR 11 3HG2 THR 11 1.807 16.867 0.304 92 HG22 THR 11 1HG2 THR 11 3.061 16.693 1.532 93 HG23 THR 11 2HG2 THR 11 3.016 18.133 0.516 94 H VAL 12 H VAL 12 1.287 16.372 4.426 95 HA VAL 12 HA VAL 12 2.367 13.922 3.564 96 HB VAL 12 HB VAL 12 1.503 14.846 6.311 97 HG11 VAL 12 1HG1 VAL 12 1.680 12.613 6.773 98 HG12 VAL 12 2HG1 VAL 12 3.408 12.970 6.754 99 HG13 VAL 12 3HG1 VAL 12 2.632 12.286 5.326 100 HG21 VAL 12 3HG2 VAL 12 3.621 15.618 4.630 101 HG22 VAL 12 1HG2 VAL 12 4.343 14.522 5.808 102 HG23 VAL 12 2HG2 VAL 12 3.469 15.953 6.354 103 H GLY 13 H GLY 13 -0.844 14.809 4.523 104 HA2 GLY 13 2HA GLY 13 -1.803 12.174 5.102 105 HA3 GLY 13 1HA GLY 13 -2.790 13.608 4.829 106 H PHE 14 H PHE 14 -2.003 14.331 2.310 107 HA PHE 14 HA PHE 14 -3.484 12.475 0.695 108 HB2 PHE 14 2HB PHE 14 -3.741 14.827 0.236 109 HB3 PHE 14 1HB PHE 14 -2.002 15.032 0.032 110 HD1 PHE 14 2HD PHE 14 -4.711 12.774 -1.270 111 HD2 PHE 14 1HD PHE 14 -1.244 15.147 -2.174 112 HE1 PHE 14 2HE PHE 14 -4.928 12.179 -3.667 113 HE2 PHE 14 1HE PHE 14 -1.463 14.551 -4.572 114 HZ PHE 14 HZ PHE 14 -3.305 13.068 -5.318 115 H GLY 15 H GLY 15 -0.141 13.263 1.241 116 HA2 GLY 15 2HA GLY 15 0.895 11.895 -1.055 117 HA3 GLY 15 1HA GLY 15 1.821 12.422 0.351 118 H ILE 16 H ILE 16 0.283 11.044 2.317 119 HA ILE 16 HA ILE 16 1.557 8.496 2.205 120 HB ILE 16 HB ILE 16 -0.496 9.709 4.046 121 HG12 ILE 16 2HG1 ILE 16 2.080 10.309 3.879 122 HG13 ILE 16 1HG1 ILE 16 1.300 10.144 5.453 123 HG21 ILE 16 1HG2 ILE 16 0.153 7.671 5.511 124 HG22 ILE 16 2HG2 ILE 16 0.674 6.930 3.996 125 HG23 ILE 16 3HG2 ILE 16 -1.009 7.417 4.212 126 HD11 ILE 16 3HD1 ILE 16 2.207 7.999 5.806 127 HD12 ILE 16 1HD1 ILE 16 3.535 8.899 5.071 128 HD13 ILE 16 2HD1 ILE 16 2.582 7.780 4.098 129 H LEU 17 H LEU 17 -1.742 9.608 1.757 130 HA LEU 17 HA LEU 17 -2.996 7.094 1.523 131 HB2 LEU 17 2HB LEU 17 -3.734 9.822 1.185 132 HB3 LEU 17 1HB LEU 17 -4.236 8.949 -0.262 133 HG LEU 17 HG LEU 17 -5.312 7.229 1.209 134 HD11 LEU 17 1HD1 LEU 17 -4.912 7.223 3.422 135 HD12 LEU 17 2HD1 LEU 17 -5.525 8.871 3.564 136 HD13 LEU 17 3HD1 LEU 17 -3.821 8.591 3.202 137 HD21 LEU 17 3HD2 LEU 17 -7.031 9.048 2.179 138 HD22 LEU 17 1HD2 LEU 17 -6.940 8.679 0.456 139 HD23 LEU 17 2HD2 LEU 17 -6.119 10.101 1.099 140 H ILE 18 H ILE 18 -1.636 9.217 -0.992 141 HA ILE 18 HA ILE 18 -2.249 7.570 -3.187 142 HB ILE 18 HB ILE 18 0.030 9.518 -2.786 143 HG12 ILE 18 2HG1 ILE 18 -2.542 10.166 -2.696 144 HG13 ILE 18 1HG1 ILE 18 -1.393 11.177 -3.566 145 HG21 ILE 18 1HG2 ILE 18 -0.129 9.561 -5.364 146 HG22 ILE 18 2HG2 ILE 18 -0.972 8.020 -5.201 147 HG23 ILE 18 3HG2 ILE 18 0.685 8.192 -4.617 148 HD11 ILE 18 3HD1 ILE 18 -2.077 10.356 -5.670 149 HD12 ILE 18 1HD1 ILE 18 -3.590 10.527 -4.772 150 HD13 ILE 18 2HD1 ILE 18 -2.850 8.937 -4.968 151 H PHE 19 H PHE 19 0.531 7.636 -1.003 152 HA PHE 19 HA PHE 19 2.137 5.764 -2.378 153 HB2 PHE 19 2HB PHE 19 2.070 7.019 0.273 154 HB3 PHE 19 1HB PHE 19 2.754 5.394 0.276 155 HD1 PHE 19 1HD PHE 19 2.866 8.516 -1.809 156 HD2 PHE 19 2HD PHE 19 5.032 5.187 -0.175 157 HE1 PHE 19 1HE PHE 19 4.964 9.402 -2.789 158 HE2 PHE 19 2HE PHE 19 7.131 6.073 -1.153 159 HZ PHE 19 HZ PHE 19 7.098 8.179 -2.460 160 H SER 20 H SER 20 -0.219 5.362 0.262 161 HA SER 20 HA SER 20 0.075 2.570 0.517 162 HB2 SER 20 2HB SER 20 -1.809 4.613 1.460 163 HB3 SER 20 1HB SER 20 -2.526 3.018 1.253 164 HG SER 20 HG SER 20 -0.776 2.195 2.510 165 H LEU 21 H LEU 21 -2.084 4.527 -1.500 166 HA LEU 21 HA LEU 21 -3.697 2.495 -2.503 167 HB2 LEU 21 2HB LEU 21 -4.159 4.852 -2.879 168 HB3 LEU 21 1HB LEU 21 -2.681 5.018 -3.828 169 HG LEU 21 HG LEU 21 -4.389 2.830 -4.741 170 HD11 LEU 21 1HD1 LEU 21 -6.152 4.389 -3.997 171 HD12 LEU 21 2HD1 LEU 21 -6.101 4.287 -5.756 172 HD13 LEU 21 3HD1 LEU 21 -5.400 5.681 -4.935 173 HD21 LEU 21 3HD2 LEU 21 -3.927 3.919 -6.921 174 HD22 LEU 21 1HD2 LEU 21 -2.448 3.705 -5.984 175 HD23 LEU 21 2HD2 LEU 21 -3.215 5.292 -6.074 176 H ILE 22 H ILE 22 -0.530 3.671 -3.568 177 HA ILE 22 HA ILE 22 -0.334 2.114 -5.918 178 HB ILE 22 HB ILE 22 1.799 3.254 -4.102 179 HG12 ILE 22 2HG1 ILE 22 0.905 4.107 -6.868 180 HG13 ILE 22 1HG1 ILE 22 0.222 4.787 -5.392 181 HG21 ILE 22 1HG2 ILE 22 2.906 1.492 -5.230 182 HG22 ILE 22 2HG2 ILE 22 3.213 2.900 -6.247 183 HG23 ILE 22 3HG2 ILE 22 1.970 1.736 -6.705 184 HD11 ILE 22 3HD1 ILE 22 2.160 6.095 -6.417 185 HD12 ILE 22 1HD1 ILE 22 3.196 4.751 -5.938 186 HD13 ILE 22 2HD1 ILE 22 2.333 5.679 -4.712 187 H VAL 23 H VAL 23 0.539 1.450 -2.560 188 HA VAL 23 HA VAL 23 1.796 -1.063 -3.114 189 HB VAL 23 HB VAL 23 0.594 -0.067 -0.520 190 HG11 VAL 23 1HG1 VAL 23 2.200 -1.634 0.499 191 HG12 VAL 23 2HG1 VAL 23 2.733 -2.139 -1.105 192 HG13 VAL 23 3HG1 VAL 23 1.090 -2.490 -0.567 193 HG21 VAL 23 3HG2 VAL 23 3.312 0.237 -0.338 194 HG22 VAL 23 1HG2 VAL 23 2.193 1.535 -0.749 195 HG23 VAL 23 2HG2 VAL 23 3.029 0.651 -2.028 196 H THR 24 H THR 24 -1.451 -0.075 -2.089 197 HA THR 24 HA THR 24 -2.492 -2.668 -1.673 198 HB THR 24 HB THR 24 -3.998 -0.199 -2.568 199 HG1 THR 24 1HG THR 24 -2.677 0.079 -0.685 200 HG21 THR 24 3HG2 THR 24 -4.779 -2.811 -1.269 201 HG22 THR 24 1HG2 THR 24 -5.466 -2.050 -2.705 202 HG23 THR 24 2HG2 THR 24 -5.781 -1.368 -1.110 203 H TYR 25 H TYR 25 -2.067 -0.705 -4.540 204 HA TYR 25 HA TYR 25 -3.740 -2.290 -6.249 205 HB2 TYR 25 2HB TYR 25 -3.218 0.026 -6.816 206 HB3 TYR 25 1HB TYR 25 -1.500 -0.362 -6.909 207 HD1 TYR 25 1HD TYR 25 -4.790 -0.783 -8.522 208 HD2 TYR 25 2HD TYR 25 -0.589 -1.646 -8.765 209 HE1 TYR 25 1HE TYR 25 -5.071 -1.483 -10.885 210 HE2 TYR 25 2HE TYR 25 -0.870 -2.347 -11.128 211 HH TYR 25 HH TYR 25 -2.886 -3.271 -12.544 212 H CYS 26 H CYS 26 -0.266 -2.178 -5.558 213 HA CYS 26 HA CYS 26 0.562 -4.074 -7.464 214 HB2 CYS 26 2HB CYS 26 1.705 -3.289 -4.780 215 HB3 CYS 26 1HB CYS 26 2.509 -4.407 -5.881 216 HG CYS 26 HG CYS 26 3.326 -2.444 -7.134 217 H ILE 27 H ILE 27 -0.736 -4.414 -4.201 218 HA ILE 27 HA ILE 27 -0.189 -7.187 -3.903 219 HB ILE 27 HB ILE 27 -2.213 -5.353 -2.614 220 HG12 ILE 27 2HG1 ILE 27 0.087 -6.793 -1.306 221 HG13 ILE 27 1HG1 ILE 27 0.377 -5.306 -2.210 222 HG21 ILE 27 1HG2 ILE 27 -2.346 -7.348 -0.949 223 HG22 ILE 27 2HG2 ILE 27 -1.754 -8.318 -2.299 224 HG23 ILE 27 3HG2 ILE 27 -3.283 -7.447 -2.440 225 HD11 ILE 27 3HD1 ILE 27 -0.208 -5.236 0.384 226 HD12 ILE 27 1HD1 ILE 27 -1.860 -5.331 -0.226 227 HD13 ILE 27 2HD1 ILE 27 -0.814 -3.999 -0.718 228 H ASN 28 H ASN 28 -3.124 -5.440 -4.930 229 HA ASN 28 HA ASN 28 -4.790 -7.623 -5.357 230 HB2 ASN 28 2HB ASN 28 -4.586 -4.920 -6.656 231 HB3 ASN 28 1HB ASN 28 -5.779 -6.097 -7.206 232 HD21 ASN 28 1HD2 ASN 28 -5.963 -3.455 -5.541 233 HD22 ASN 28 2HD2 ASN 28 -6.929 -3.905 -4.219 234 H ALA 29 H ALA 29 -2.321 -6.223 -7.468 235 HA ALA 29 HA ALA 29 -2.891 -7.836 -9.739 236 HB1 ALA 29 1HB ALA 29 -1.463 -5.676 -9.553 237 HB2 ALA 29 2HB ALA 29 -0.953 -6.931 -10.680 238 HB3 ALA 29 3HB ALA 29 -0.152 -6.773 -9.118 239 H LYS 30 H LYS 30 -0.518 -8.140 -7.117 240 HA LYS 30 HA LYS 30 0.700 -10.513 -8.028 241 HB2 LYS 30 2HB LYS 30 0.407 -9.354 -5.251 242 HB3 LYS 30 1HB LYS 30 1.397 -10.766 -5.620 243 HG2 LYS 30 2HG LYS 30 2.891 -9.525 -6.955 244 HG3 LYS 30 1HG LYS 30 1.746 -8.198 -7.156 245 HD2 LYS 30 2HD LYS 30 3.528 -7.573 -5.574 246 HD3 LYS 30 1HD LYS 30 1.968 -7.643 -4.758 247 HE2 LYS 30 2HE LYS 30 2.550 -9.474 -3.511 248 HE3 LYS 30 1HE LYS 30 3.532 -10.170 -4.802 249 HZ1 LYS 30 3HZ LYS 30 4.327 -8.518 -2.622 250 HZ2 LYS 30 1HZ LYS 30 4.805 -7.841 -4.103 251 HZ3 LYS 30 2HZ LYS 30 5.286 -9.419 -3.698 252 H ALA 31 H ALA 31 -2.300 -9.912 -6.382 253 HA ALA 31 HA ALA 31 -2.651 -12.700 -5.614 254 HB1 ALA 31 1HB ALA 31 -5.045 -11.622 -5.096 255 HB2 ALA 31 2HB ALA 31 -4.083 -10.144 -5.120 256 HB3 ALA 31 3HB ALA 31 -3.676 -11.442 -3.997 257 H ASP 32 H ASP 32 -3.535 -10.541 -8.159 258 HA ASP 32 HA ASP 32 -5.741 -12.019 -9.171 259 HB2 ASP 32 2HB ASP 32 -3.916 -9.958 -10.394 260 HB3 ASP 32 1HB ASP 32 -5.217 -10.721 -11.308 261 H VAL 33 H VAL 33 -2.295 -12.143 -9.668 262 HA VAL 33 HA VAL 33 -2.253 -13.796 -11.955 263 HB VAL 33 HB VAL 33 -0.258 -13.463 -9.707 264 HG11 VAL 33 1HG1 VAL 33 -0.145 -15.049 -12.276 265 HG12 VAL 33 2HG1 VAL 33 0.256 -15.583 -10.643 266 HG13 VAL 33 3HG1 VAL 33 1.316 -14.455 -11.488 267 HG21 VAL 33 3HG2 VAL 33 0.953 -12.204 -11.546 268 HG22 VAL 33 1HG2 VAL 33 -0.538 -11.441 -10.993 269 HG23 VAL 33 2HG2 VAL 33 -0.516 -12.336 -12.512 270 H LEU 34 H LEU 34 -3.228 -14.466 -8.772 271 HA LEU 34 HA LEU 34 -2.690 -17.331 -9.008 272 HB2 LEU 34 2HB LEU 34 -3.655 -15.572 -6.774 273 HB3 LEU 34 1HB LEU 34 -3.705 -17.332 -6.668 274 HG LEU 34 HG LEU 34 -1.282 -17.444 -7.064 275 HD11 LEU 34 1HD1 LEU 34 -0.106 -15.103 -6.815 276 HD12 LEU 34 2HD1 LEU 34 -1.635 -14.483 -7.438 277 HD13 LEU 34 3HD1 LEU 34 -0.684 -15.621 -8.395 278 HD21 LEU 34 3HD2 LEU 34 -1.659 -17.374 -4.780 279 HD22 LEU 34 1HD2 LEU 34 -2.405 -15.776 -4.849 280 HD23 LEU 34 2HD2 LEU 34 -0.654 -15.938 -4.977 281 H PHE 35 H PHE 35 -5.360 -15.108 -8.509 282 HA PHE 35 HA PHE 35 -7.347 -17.181 -8.773 283 HB2 PHE 35 2HB PHE 35 -7.500 -14.189 -8.546 284 HB3 PHE 35 1HB PHE 35 -8.930 -15.176 -8.836 285 HD1 PHE 35 2HD PHE 35 -9.327 -17.176 -7.207 286 HD2 PHE 35 1HD PHE 35 -6.722 -13.867 -6.361 287 HE1 PHE 35 2HE PHE 35 -9.441 -17.704 -4.786 288 HE2 PHE 35 1HE PHE 35 -6.835 -14.395 -3.942 289 HZ PHE 35 HZ PHE 35 -8.196 -16.313 -3.154 290 H ILE 36 H ILE 36 -5.982 -14.736 -10.835 291 HA ILE 36 HA ILE 36 -7.824 -15.396 -13.025 292 HB ILE 36 HB ILE 36 -5.541 -13.416 -13.055 293 HG12 ILE 36 2HG1 ILE 36 -6.894 -12.675 -11.237 294 HG13 ILE 36 1HG1 ILE 36 -7.424 -11.724 -12.622 295 HG21 ILE 36 1HG2 ILE 36 -7.940 -12.764 -14.556 296 HG22 ILE 36 2HG2 ILE 36 -7.300 -14.333 -15.039 297 HG23 ILE 36 3HG2 ILE 36 -6.275 -12.899 -15.125 298 HD11 ILE 36 3HD1 ILE 36 -9.427 -12.475 -11.585 299 HD12 ILE 36 1HD1 ILE 36 -8.791 -14.103 -11.362 300 HD13 ILE 36 2HD1 ILE 36 -9.209 -13.534 -12.979 301 H ALA 37 H ALA 37 -5.698 -17.167 -11.914 302 HA ALA 37 HA ALA 37 -3.512 -17.387 -13.661 303 HB1 ALA 37 1HB ALA 37 -4.235 -20.008 -12.889 304 HB2 ALA 37 2HB ALA 37 -4.686 -18.951 -11.550 305 HB3 ALA 37 3HB ALA 37 -3.024 -18.964 -12.145 306 HA PRO 38 HA PRO 38 -5.185 -19.046 -17.375 307 HB2 PRO 38 2HB PRO 38 -3.314 -20.894 -18.127 308 HB3 PRO 38 1HB PRO 38 -3.048 -19.142 -18.230 309 HG2 PRO 38 2HG PRO 38 -2.096 -21.086 -16.190 310 HG3 PRO 38 1HG PRO 38 -1.267 -19.689 -16.894 311 HD2 PRO 38 2HD PRO 38 -2.431 -19.645 -14.405 312 HD3 PRO 38 1HD PRO 38 -2.231 -18.199 -15.419 313 H ARG 39 H ARG 39 -6.026 -21.006 -18.459 314 HA ARG 39 HA ARG 39 -7.178 -22.839 -16.529 315 HB2 ARG 39 2HB ARG 39 -8.444 -23.707 -18.450 316 HB3 ARG 39 1HB ARG 39 -8.558 -21.949 -18.363 317 HG2 ARG 39 2HG ARG 39 -6.694 -21.792 -20.025 318 HG3 ARG 39 1HG ARG 39 -6.728 -23.549 -20.174 319 HD2 ARG 39 2HD ARG 39 -8.101 -22.837 -21.945 320 HD3 ARG 39 1HD ARG 39 -9.253 -23.245 -20.677 321 HE ARG 39 HE ARG 39 -8.674 -20.556 -20.332 322 HH11 ARG 39 1HH2 ARG 39 -9.926 -22.624 -22.808 323 HH12 ARG 39 2HH2 ARG 39 -10.931 -21.403 -23.514 324 HH21 ARG 39 1HH1 ARG 39 -9.989 -18.947 -21.252 325 HH22 ARG 39 2HH1 ARG 39 -10.966 -19.321 -22.633 326 H GLU 40 H GLU 40 -6.926 -25.095 -16.531 327 HA GLU 40 HA GLU 40 -4.440 -26.029 -17.833 328 HB2 GLU 40 2HB GLU 40 -5.132 -27.856 -15.825 329 HB3 GLU 40 1HB GLU 40 -3.832 -26.668 -15.775 330 HG2 GLU 40 2HG GLU 40 -6.690 -26.039 -14.990 331 HG3 GLU 40 1HG GLU 40 -5.453 -26.539 -13.835 332 HA PRO 41 HA PRO 41 -6.264 -29.152 -20.320 333 HB2 PRO 41 2HB PRO 41 -5.155 -31.220 -18.475 334 HB3 PRO 41 1HB PRO 41 -5.022 -31.093 -20.237 335 HG2 PRO 41 2HG PRO 41 -3.026 -30.430 -18.521 336 HG3 PRO 41 1HG PRO 41 -3.226 -29.722 -20.131 337 HD2 PRO 41 2HD PRO 41 -3.580 -28.450 -17.517 338 HD3 PRO 41 1HD PRO 41 -3.488 -27.701 -19.126 339 H GLY 42 H GLY 42 -6.333 -30.249 -16.919 340 HA2 GLY 42 2HA GLY 42 -8.282 -30.471 -15.583 341 HA3 GLY 42 1HA GLY 42 -9.260 -30.422 -17.048 342 H ALA 43 H ALA 43 -7.962 -32.344 -18.593 343 HA ALA 43 HA ALA 43 -7.929 -34.614 -18.958 344 HB1 ALA 43 1HB ALA 43 -7.575 -35.204 -16.049 345 HB2 ALA 43 2HB ALA 43 -6.302 -34.285 -16.859 346 HB3 ALA 43 3HB ALA 43 -6.747 -35.886 -17.447 347 H VAL 44 H VAL 44 -9.919 -35.265 -19.517 348 HA VAL 44 HA VAL 44 -11.654 -36.864 -18.971 349 HB VAL 44 HB VAL 44 -12.009 -35.252 -16.417 350 HG11 VAL 44 1HG1 VAL 44 -14.173 -35.923 -16.793 351 HG12 VAL 44 2HG1 VAL 44 -13.547 -37.401 -16.062 352 HG13 VAL 44 3HG1 VAL 44 -13.694 -37.282 -17.816 353 HG21 VAL 44 3HG2 VAL 44 -11.593 -38.145 -16.237 354 HG22 VAL 44 1HG2 VAL 44 -10.703 -36.850 -15.425 355 HG23 VAL 44 2HG2 VAL 44 -10.247 -37.348 -17.054 356 H SER 45 H SER 45 -12.806 -36.250 -20.702 357 HA SER 45 HA SER 45 -13.951 -33.581 -20.842 358 HB2 SER 45 2HB SER 45 -15.058 -34.830 -22.953 359 HB3 SER 45 1HB SER 45 -13.434 -34.150 -22.987 360 HG SER 45 HG SER 45 -14.204 -36.835 -22.476 361 H TYR 46 H TYR 46 -15.750 -33.096 -19.789 362 HA TYR 46 HA TYR 46 -17.644 -35.185 -19.052 363 HB2 TYR 46 2HB TYR 46 -17.293 -32.291 -18.327 364 HB3 TYR 46 1HB TYR 46 -18.817 -33.115 -17.992 365 HD1 TYR 46 2HD TYR 46 -18.562 -35.509 -16.865 366 HD2 TYR 46 1HD TYR 46 -15.598 -32.403 -16.720 367 HE1 TYR 46 2HE TYR 46 -17.563 -36.558 -14.854 368 HE2 TYR 46 1HE TYR 46 -14.599 -33.452 -14.708 369 HH TYR 46 HH TYR 46 -16.020 -36.389 -13.268
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