NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
2939 | 1cw5 | 4506 | cing | recoord | dress | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H VAL 1 H VAL 1 -26.712 15.430 11.481 2 HA VAL 1 HA VAL 1 -26.369 16.042 9.097 3 HB VAL 1 HB VAL 1 -25.949 17.927 10.384 4 1HG1 VAL 1 1HG1 VAL 1 -25.176 17.193 12.440 5 2HG1 VAL 1 2HG1 VAL 1 -23.942 16.134 11.717 6 3HG1 VAL 1 3HG1 VAL 1 -23.672 17.891 11.793 7 1HG2 VAL 1 1HG2 VAL 1 -24.003 18.952 9.495 8 2HG2 VAL 1 2HG2 VAL 1 -23.110 17.413 9.449 9 3HG2 VAL 1 3HG2 VAL 1 -24.429 17.711 8.292 10 H ASN 2 H ASN 2 -23.246 16.839 9.191 11 HA ASN 2 HA ASN 2 -21.497 16.201 7.883 12 1HB ASN 2 2HB ASN 2 -22.049 13.889 9.688 13 2HB ASN 2 1HB ASN 2 -20.803 13.725 8.458 14 1HD2 ASN 2 1HD2 ASN 2 -21.706 15.183 11.437 15 2HD2 ASN 2 2HD2 ASN 2 -20.182 15.917 11.792 16 H TYR 3 H TYR 3 -23.864 16.083 6.427 17 HA TYR 3 HA TYR 3 -24.046 13.547 5.053 18 1HB TYR 3 2HB TYR 3 -25.464 16.154 4.964 19 2HB TYR 3 1HB TYR 3 -25.442 15.237 3.461 20 HD1 TYR 3 1HD TYR 3 -27.344 15.862 6.236 21 HD2 TYR 3 2HD TYR 3 -25.902 12.562 3.971 22 HE1 TYR 3 1HE TYR 3 -29.182 14.478 7.095 23 HE2 TYR 3 2HE TYR 3 -27.741 11.172 4.824 24 HH TYR 3 HH TYR 3 -30.275 11.879 5.819 25 H GLY 4 H GLY 4 -22.335 13.014 3.747 26 1HA GLY 4 2HA GLY 4 -21.765 14.713 1.475 27 2HA GLY 4 1HA GLY 4 -20.425 14.575 2.607 28 H ASN 5 H ASN 5 -19.828 12.266 3.190 29 HA ASN 5 HA ASN 5 -20.477 10.213 1.298 30 1HB ASN 5 2HB ASN 5 -17.944 11.776 1.029 31 2HB ASN 5 1HB ASN 5 -17.897 10.044 0.718 32 1HD2 ASN 5 1HD2 ASN 5 -18.795 13.110 -0.464 33 2HD2 ASN 5 2HD2 ASN 5 -19.476 12.591 -1.965 34 H GLY 6 H GLY 6 -20.395 10.658 4.198 35 1HA GLY 6 2HA GLY 6 -18.534 8.466 4.942 36 2HA GLY 6 1HA GLY 6 -18.856 9.841 5.986 37 H VAL 7 H VAL 7 -21.780 9.557 4.903 38 HA VAL 7 HA VAL 7 -22.625 7.813 7.070 39 HB VAL 7 HB VAL 7 -24.941 8.571 6.392 40 1HG1 VAL 7 1HG1 VAL 7 -24.586 10.915 7.235 41 2HG1 VAL 7 2HG1 VAL 7 -22.856 10.583 7.204 42 3HG1 VAL 7 3HG1 VAL 7 -23.918 9.633 8.245 43 1HG2 VAL 7 1HG2 VAL 7 -24.124 9.150 4.030 44 2HG2 VAL 7 2HG2 VAL 7 -23.561 10.660 4.744 45 3HG2 VAL 7 3HG2 VAL 7 -25.274 10.243 4.802 46 H SER 8 H SER 8 -22.568 7.910 3.574 47 HA SER 8 HA SER 8 -23.977 5.322 3.428 48 1HB SER 8 2HB SER 8 -24.929 7.068 2.020 49 2HB SER 8 1HB SER 8 -23.356 7.363 1.278 50 HG SER 8 HG SER 8 -25.025 5.869 0.232 51 H CYS 9 H CYS 9 -22.218 4.012 4.053 52 HA CYS 9 HA CYS 9 -19.661 4.180 2.840 53 1HB CYS 9 2HB CYS 9 -20.313 3.073 5.081 54 2HB CYS 9 1HB CYS 9 -20.744 1.675 4.100 55 H SER 10 H SER 10 -18.907 3.408 1.001 56 HA SER 10 HA SER 10 -20.530 2.416 -1.024 57 1HB SER 10 2HB SER 10 -18.205 1.596 -1.952 58 2HB SER 10 1HB SER 10 -18.557 3.321 -1.821 59 HG SER 10 HG SER 10 -16.737 3.280 -0.738 60 H LYS 11 H LYS 11 -20.590 0.378 -2.055 61 HA LYS 11 HA LYS 11 -21.168 -1.829 -2.000 62 1HB LYS 11 2HB LYS 11 -18.501 -2.059 -0.611 63 2HB LYS 11 1HB LYS 11 -19.331 -3.332 -1.495 64 1HG LYS 11 2HG LYS 11 -18.616 -2.591 -3.480 65 2HG LYS 11 1HG LYS 11 -18.868 -0.897 -3.051 66 1HD LYS 11 2HD LYS 11 -16.556 -1.054 -3.295 67 2HD LYS 11 1HD LYS 11 -16.795 -1.191 -1.552 68 1HE LYS 11 2HE LYS 11 -16.662 -3.629 -3.289 69 2HE LYS 11 1HE LYS 11 -15.191 -2.841 -2.720 70 1HZ LYS 11 1HZ LYS 11 -16.169 -3.062 -0.425 71 2HZ LYS 11 2HZ LYS 11 -15.689 -4.506 -1.161 72 3HZ LYS 11 3HZ LYS 11 -17.328 -4.095 -1.098 73 H THR 12 H THR 12 -21.566 -3.794 -0.683 74 HA THR 12 HA THR 12 -22.578 -3.004 1.920 75 HB THR 12 HB THR 12 -24.109 -4.185 0.475 76 HG1 THR 12 1HG THR 12 -24.190 -4.641 2.733 77 1HG2 THR 12 1HG2 THR 12 -23.639 -6.696 0.133 78 2HG2 THR 12 2HG2 THR 12 -21.947 -6.233 0.314 79 3HG2 THR 12 3HG2 THR 12 -22.924 -5.525 -0.972 80 H LYS 13 H LYS 13 -20.054 -2.893 2.349 81 HA LYS 13 HA LYS 13 -19.521 -5.103 4.107 82 1HB LYS 13 2HB LYS 13 -18.161 -4.894 1.517 83 2HB LYS 13 1HB LYS 13 -17.071 -5.047 2.882 84 1HG LYS 13 2HG LYS 13 -19.273 -6.923 3.035 85 2HG LYS 13 1HG LYS 13 -18.331 -7.105 1.553 86 1HD LYS 13 2HD LYS 13 -16.796 -6.782 4.063 87 2HD LYS 13 1HD LYS 13 -17.679 -8.296 3.869 88 1HE LYS 13 2HE LYS 13 -15.378 -8.460 3.031 89 2HE LYS 13 1HE LYS 13 -16.567 -8.706 1.753 90 1HZ LYS 13 1HZ LYS 13 -16.199 -6.497 0.963 91 2HZ LYS 13 2HZ LYS 13 -14.692 -7.252 1.111 92 3HZ LYS 13 3HZ LYS 13 -15.191 -6.127 2.272 93 H CYS 14 H CYS 14 -16.971 -3.126 2.698 94 HA CYS 14 HA CYS 14 -15.778 -1.351 3.503 95 1HB CYS 14 2HB CYS 14 -17.847 -1.157 5.693 96 2HB CYS 14 1HB CYS 14 -16.661 0.071 5.260 97 H SER 15 H SER 15 -14.005 -2.606 4.048 98 HA SER 15 HA SER 15 -13.453 -2.815 6.850 99 1HB SER 15 2HB SER 15 -14.072 -5.270 5.255 100 2HB SER 15 1HB SER 15 -12.868 -5.352 6.539 101 HG SER 15 HG SER 15 -15.381 -4.194 7.042 102 H VAL 16 H VAL 16 -12.438 -3.945 3.622 103 HA VAL 16 HA VAL 16 -9.912 -2.635 3.901 104 HB VAL 16 HB VAL 16 -9.470 -4.604 5.280 105 1HG1 VAL 16 1HG1 VAL 16 -9.753 -6.373 2.887 106 2HG1 VAL 16 2HG1 VAL 16 -11.152 -5.999 3.900 107 3HG1 VAL 16 3HG1 VAL 16 -9.741 -6.792 4.602 108 1HG2 VAL 16 1HG2 VAL 16 -7.371 -4.961 4.464 109 2HG2 VAL 16 2HG2 VAL 16 -7.822 -3.559 3.493 110 3HG2 VAL 16 3HG2 VAL 16 -7.930 -5.179 2.806 111 H ASN 17 H ASN 17 -9.578 -1.856 1.936 112 HA ASN 17 HA ASN 17 -10.724 -3.138 -0.400 113 1HB ASN 17 2HB ASN 17 -9.060 -0.614 -0.252 114 2HB ASN 17 1HB ASN 17 -10.067 -1.143 -1.600 115 1HD2 ASN 17 1HD2 ASN 17 -12.221 -0.757 -1.567 116 2HD2 ASN 17 2HD2 ASN 17 -13.023 0.129 -0.319 117 H TRP 18 H TRP 18 -9.479 -3.590 -2.326 118 HA TRP 18 HA TRP 18 -7.195 -5.168 -1.799 119 1HB TRP 18 2HB TRP 18 -8.939 -4.857 -3.934 120 2HB TRP 18 1HB TRP 18 -7.420 -4.233 -4.574 121 HD1 TRP 18 HD TRP 18 -5.254 -6.004 -4.290 122 HE1 TRP 18 1HE TRP 18 -5.242 -8.562 -4.563 123 HE3 TRP 18 3HE TRP 18 -10.260 -6.902 -3.764 124 HZ2 TRP 18 2HZ TRP 18 -7.106 -10.680 -4.562 125 HZ3 TRP 18 3HZ TRP 18 -11.063 -9.223 -3.914 126 HH2 TRP 18 HH TRP 18 -9.518 -11.073 -4.305 127 H GLY 19 H GLY 19 -7.660 -1.841 -2.762 128 1HA GLY 19 2HA GLY 19 -5.259 -1.068 -3.807 129 2HA GLY 19 1HA GLY 19 -6.200 -0.060 -2.720 130 H GLN 20 H GLN 20 -5.963 -1.413 -0.330 131 HA GLN 20 HA GLN 20 -3.456 -0.538 0.579 132 1HB GLN 20 2HB GLN 20 -5.752 -1.225 1.812 133 2HB GLN 20 1HB GLN 20 -4.804 -2.669 2.134 134 1HG GLN 20 2HG GLN 20 -3.092 -0.552 2.713 135 2HG GLN 20 1HG GLN 20 -4.661 -0.059 3.349 136 1HE2 GLN 20 1HE2 GLN 20 -5.370 -0.935 5.197 137 2HE2 GLN 20 2HE2 GLN 20 -4.564 -2.186 6.072 138 H ALA 21 H ALA 21 -4.631 -3.802 -0.158 139 HA ALA 21 HA ALA 21 -2.331 -5.220 0.575 140 1HB ALA 21 1HB ALA 21 -4.286 -6.471 0.232 141 2HB ALA 21 2HB ALA 21 -3.218 -6.929 -1.095 142 3HB ALA 21 3HB ALA 21 -4.537 -5.794 -1.378 143 H PHE 22 H PHE 22 -3.318 -4.271 -2.742 144 HA PHE 22 HA PHE 22 -1.071 -5.140 -4.063 145 1HB PHE 22 2HB PHE 22 -3.113 -4.031 -5.136 146 2HB PHE 22 1HB PHE 22 -2.326 -2.489 -4.781 147 HD1 PHE 22 1HD PHE 22 -1.651 -5.767 -6.401 148 HD2 PHE 22 2HD PHE 22 -0.848 -1.605 -6.236 149 HE1 PHE 22 1HE PHE 22 -0.157 -5.979 -8.326 150 HE2 PHE 22 2HE PHE 22 0.626 -1.798 -8.166 151 HZ PHE 22 HZ PHE 22 0.980 -3.991 -9.235 152 H GLN 23 H GLN 23 -1.413 -2.157 -2.199 153 HA GLN 23 HA GLN 23 1.066 -1.108 -3.202 154 1HB GLN 23 2HB GLN 23 -1.126 0.010 -1.947 155 2HB GLN 23 1HB GLN 23 0.078 0.031 -0.667 156 1HG GLN 23 2HG GLN 23 1.620 1.110 -2.415 157 2HG GLN 23 1HG GLN 23 0.136 1.401 -3.324 158 1HE2 GLN 23 1HE2 GLN 23 0.768 3.659 -3.033 159 2HE2 GLN 23 2HE2 GLN 23 0.298 4.472 -1.583 160 H GLU 24 H GLU 24 0.061 -2.949 -0.392 161 HA GLU 24 HA GLU 24 2.531 -2.589 1.033 162 1HB GLU 24 2HB GLU 24 0.056 -3.419 1.791 163 2HB GLU 24 1HB GLU 24 0.872 -4.967 1.628 164 1HG GLU 24 2HG GLU 24 2.690 -3.466 3.028 165 2HG GLU 24 1HG GLU 24 1.144 -2.914 3.670 166 H ARG 25 H ARG 25 1.186 -4.805 -1.263 167 HA ARG 25 HA ARG 25 3.193 -6.821 -1.031 168 1HB ARG 25 2HB ARG 25 0.661 -6.579 -2.153 169 2HB ARG 25 1HB ARG 25 1.724 -6.732 -3.544 170 1HG ARG 25 2HG ARG 25 2.533 -8.818 -2.828 171 2HG ARG 25 1HG ARG 25 1.851 -8.613 -1.214 172 1HD ARG 25 2HD ARG 25 -0.369 -8.401 -2.768 173 2HD ARG 25 1HD ARG 25 0.595 -9.548 -3.698 174 HE ARG 25 HE ARG 25 0.598 -10.324 -1.002 175 1HH1 ARG 25 1HH1 ARG 25 -1.572 -10.139 -3.730 176 2HH1 ARG 25 2HH1 ARG 25 -2.559 -11.456 -3.189 177 1HH2 ARG 25 1HH2 ARG 25 -0.696 -12.049 -0.292 178 2HH2 ARG 25 2HH2 ARG 25 -2.062 -12.540 -1.237 179 H TYR 26 H TYR 26 2.332 -4.601 -3.670 180 HA TYR 26 HA TYR 26 4.604 -5.108 -5.222 181 1HB TYR 26 2HB TYR 26 3.577 -3.806 -6.731 182 2HB TYR 26 1HB TYR 26 2.242 -3.905 -5.601 183 HD1 TYR 26 1HD TYR 26 5.205 -1.726 -6.313 184 HD2 TYR 26 2HD TYR 26 1.203 -1.984 -5.005 185 HE1 TYR 26 1HE TYR 26 5.046 0.716 -6.251 186 HE2 TYR 26 2HE TYR 26 1.008 0.426 -4.940 187 HH TYR 26 HH TYR 26 3.601 2.449 -4.957 188 H THR 27 H THR 27 3.938 -2.209 -3.183 189 HA THR 27 HA THR 27 6.422 -1.004 -3.662 190 HB THR 27 HB THR 27 5.057 -0.712 -1.007 191 HG1 THR 27 1HG THR 27 3.329 0.029 -1.894 192 1HG2 THR 27 1HG2 THR 27 6.814 0.921 -2.700 193 2HG2 THR 27 2HG2 THR 27 6.630 0.883 -0.947 194 3HG2 THR 27 3HG2 THR 27 5.475 1.776 -1.937 195 H ALA 28 H ALA 28 5.457 -3.454 -1.341 196 HA ALA 28 HA ALA 28 7.669 -3.459 0.336 197 1HB ALA 28 1HB ALA 28 7.169 -6.051 0.334 198 2HB ALA 28 2HB ALA 28 5.729 -5.536 -0.545 199 3HB ALA 28 3HB ALA 28 6.051 -4.903 1.070 200 H GLY 29 H GLY 29 7.201 -5.222 -2.714 201 1HA GLY 29 2HA GLY 29 9.915 -6.220 -2.717 202 2HA GLY 29 1HA GLY 29 8.714 -6.436 -3.984 203 H ILE 30 H ILE 30 8.137 -3.614 -4.275 204 HA ILE 30 HA ILE 30 10.225 -2.965 -6.125 205 HB ILE 30 HB ILE 30 7.758 -1.454 -5.251 206 1HG1 ILE 30 2HG1 ILE 30 8.485 -3.218 -7.572 207 2HG1 ILE 30 1HG1 ILE 30 7.075 -3.296 -6.525 208 1HG2 ILE 30 1HG2 ILE 30 8.174 0.056 -7.153 209 2HG2 ILE 30 2HG2 ILE 30 9.737 -0.720 -7.407 210 3HG2 ILE 30 3HG2 ILE 30 9.428 0.171 -5.918 211 1HD1 ILE 30 1HD1 ILE 30 6.013 -2.392 -8.263 212 2HD1 ILE 30 2HD1 ILE 30 7.506 -1.809 -8.999 213 3HD1 ILE 30 3HD1 ILE 30 6.733 -0.878 -7.716 214 H ASN 31 H ASN 31 9.400 -2.030 -2.865 215 HA ASN 31 HA ASN 31 11.048 0.300 -2.749 216 1HB ASN 31 2HB ASN 31 9.151 -0.108 -1.187 217 2HB ASN 31 1HB ASN 31 10.058 -1.444 -0.475 218 1HD2 ASN 31 1HD2 ASN 31 9.089 1.353 0.383 219 2HD2 ASN 31 2HD2 ASN 31 10.468 2.009 1.192 220 H SER 32 H SER 32 11.425 -3.055 -1.622 221 HA SER 32 HA SER 32 13.955 -2.844 -0.494 222 1HB SER 32 2HB SER 32 12.509 -5.122 -1.831 223 2HB SER 32 1HB SER 32 14.150 -5.328 -1.214 224 HG SER 32 HG SER 32 13.429 -5.218 0.780 225 H PHE 33 H PHE 33 13.040 -3.536 -3.849 226 HA PHE 33 HA PHE 33 15.475 -4.086 -4.987 227 1HB PHE 33 2HB PHE 33 14.012 -4.195 -6.700 228 2HB PHE 33 1HB PHE 33 12.894 -3.093 -5.910 229 HD1 PHE 33 1HD PHE 33 15.357 -3.474 -8.495 230 HD2 PHE 33 2HD PHE 33 13.261 -0.614 -6.152 231 HE1 PHE 33 1HE PHE 33 15.956 -1.719 -10.108 232 HE2 PHE 33 2HE PHE 33 13.848 1.145 -7.764 233 HZ PHE 33 HZ PHE 33 15.198 0.593 -9.748 234 H VAL 34 H VAL 34 14.183 -0.960 -4.023 235 HA VAL 34 HA VAL 34 16.180 0.606 -5.301 236 HB VAL 34 HB VAL 34 14.689 1.520 -2.864 237 1HG1 VAL 34 1HG1 VAL 34 15.546 2.930 -5.381 238 2HG1 VAL 34 2HG1 VAL 34 16.420 2.954 -3.850 239 3HG1 VAL 34 3HG1 VAL 34 14.812 3.670 -3.958 240 1HG2 VAL 34 1HG2 VAL 34 12.975 0.508 -4.178 241 2HG2 VAL 34 2HG2 VAL 34 13.621 1.209 -5.662 242 3HG2 VAL 34 3HG2 VAL 34 12.882 2.248 -4.446 243 H SER 35 H SER 35 15.656 -0.023 -1.848 244 HA SER 35 HA SER 35 17.978 1.049 -0.849 245 1HB SER 35 2HB SER 35 15.925 -0.458 0.182 246 2HB SER 35 1HB SER 35 17.322 -1.509 0.409 247 HG SER 35 HG SER 35 18.195 -0.091 1.761 248 H GLY 36 H GLY 36 17.541 -2.393 -1.696 249 1HA GLY 36 2HA GLY 36 20.180 -3.205 -1.336 250 2HA GLY 36 1HA GLY 36 19.048 -3.962 -2.449 251 H VAL 37 H VAL 37 18.633 -2.352 -4.425 252 HA VAL 37 HA VAL 37 20.965 -2.383 -5.974 253 HB VAL 37 HB VAL 37 18.366 -0.891 -6.343 254 1HG1 VAL 37 1HG1 VAL 37 20.120 0.274 -7.580 255 2HG1 VAL 37 2HG1 VAL 37 18.994 -0.537 -8.667 256 3HG1 VAL 37 3HG1 VAL 37 20.580 -1.242 -8.355 257 1HG2 VAL 37 1HG2 VAL 37 17.899 -2.648 -7.982 258 2HG2 VAL 37 2HG2 VAL 37 18.189 -3.318 -6.376 259 3HG2 VAL 37 3HG2 VAL 37 19.447 -3.403 -7.609 260 H ALA 38 H ALA 38 19.768 -0.055 -3.699 261 HA ALA 38 HA ALA 38 21.208 2.195 -4.750 262 1HB ALA 38 1HB ALA 38 19.548 1.628 -2.381 263 2HB ALA 38 2HB ALA 38 19.542 3.016 -3.470 264 3HB ALA 38 3HB ALA 38 20.756 2.900 -2.196 265 H SER 39 H SER 39 21.954 -0.440 -2.615 266 HA SER 39 HA SER 39 24.226 0.777 -1.383 267 1HB SER 39 2HB SER 39 24.534 -1.252 -0.272 268 2HB SER 39 1HB SER 39 22.797 -1.244 -0.573 269 HG SER 39 HG SER 39 23.941 -3.234 -1.124 270 H GLY 40 H GLY 40 23.787 -1.525 -4.051 271 1HA GLY 40 2HA GLY 40 26.584 -1.796 -4.566 272 2HA GLY 40 1HA GLY 40 25.279 -2.323 -5.615 273 H ALA 41 H ALA 41 23.985 -0.048 -6.271 274 HA ALA 41 HA ALA 41 25.510 2.203 -6.875 275 1HB ALA 41 1HB ALA 41 25.787 1.795 -9.357 276 2HB ALA 41 2HB ALA 41 25.561 0.084 -8.991 277 3HB ALA 41 3HB ALA 41 26.913 0.968 -8.281 278 H GLY 42 H GLY 42 23.476 2.943 -6.224 279 1HA GLY 42 2HA GLY 42 21.279 2.658 -8.169 280 2HA GLY 42 1HA GLY 42 21.113 3.204 -6.508 281 H SER 43 H SER 43 23.677 4.450 -8.500 282 HA SER 43 HA SER 43 22.300 7.056 -8.533 283 1HB SER 43 2HB SER 43 24.516 8.077 -8.647 284 2HB SER 43 1HB SER 43 24.417 6.995 -7.260 285 HG SER 43 HG SER 43 26.035 6.875 -9.447 286 H ILE 44 H ILE 44 21.913 4.946 -10.531 287 HA ILE 44 HA ILE 44 21.974 6.509 -12.850 288 HB ILE 44 HB ILE 44 24.402 6.149 -12.766 289 1HG1 ILE 44 2HG1 ILE 44 24.597 5.028 -15.071 290 2HG1 ILE 44 1HG1 ILE 44 22.848 4.848 -14.997 291 1HG2 ILE 44 1HG2 ILE 44 24.099 3.263 -13.394 292 2HG2 ILE 44 2HG2 ILE 44 23.965 3.768 -11.709 293 3HG2 ILE 44 3HG2 ILE 44 25.433 4.122 -12.623 294 1HD1 ILE 44 1HD1 ILE 44 23.754 6.860 -16.237 295 2HD1 ILE 44 2HD1 ILE 44 24.194 7.505 -14.655 296 3HD1 ILE 44 3HD1 ILE 44 22.504 7.167 -15.031 297 H GLY 45 H GLY 45 19.837 5.449 -12.301 298 1HA GLY 45 2HA GLY 45 19.226 3.517 -14.249 299 2HA GLY 45 1HA GLY 45 19.383 2.705 -12.698 300 H ARG 46 H ARG 46 18.172 5.977 -13.095 301 HA ARG 46 HA ARG 46 15.597 5.092 -11.998 302 1HB ARG 46 2HB ARG 46 16.928 7.800 -12.120 303 2HB ARG 46 1HB ARG 46 15.267 7.570 -11.590 304 1HG ARG 46 2HG ARG 46 15.973 6.254 -9.723 305 2HG ARG 46 1HG ARG 46 17.638 6.236 -10.305 306 1HD ARG 46 2HD ARG 46 17.385 8.840 -10.171 307 2HD ARG 46 1HD ARG 46 16.088 8.450 -9.043 308 HE ARG 46 HE ARG 46 18.415 7.015 -8.355 309 1HH1 ARG 46 1HH1 ARG 46 17.119 10.255 -8.308 310 2HH1 ARG 46 2HH1 ARG 46 18.070 10.748 -6.947 311 1HH2 ARG 46 1HH2 ARG 46 19.664 7.663 -6.565 312 2HH2 ARG 46 2HH2 ARG 46 19.514 9.278 -5.958 313 H ARG 47 H ARG 47 15.655 4.326 -14.496 314 HA ARG 47 HA ARG 47 13.963 6.282 -15.904 315 1HB ARG 47 2HB ARG 47 16.192 4.627 -17.096 316 2HB ARG 47 1HB ARG 47 14.975 5.459 -18.053 317 1HG ARG 47 2HG ARG 47 16.609 7.026 -18.106 318 2HG ARG 47 1HG ARG 47 15.790 7.530 -16.626 319 1HD ARG 47 2HD ARG 47 17.989 7.495 -15.941 320 2HD ARG 47 1HD ARG 47 17.453 5.880 -15.480 321 HE ARG 47 HE ARG 47 18.950 5.021 -16.967 322 1HH1 ARG 47 1HH1 ARG 47 18.325 8.341 -17.840 323 2HH1 ARG 47 2HH1 ARG 47 19.519 8.367 -19.093 324 1HH2 ARG 47 1HH2 ARG 47 20.523 5.053 -18.615 325 2HH2 ARG 47 2HH2 ARG 47 20.768 6.501 -19.535 326 HA PRO 48 HA PRO 48 11.545 2.405 -15.377 327 1HB PRO 48 2HB PRO 48 9.451 4.311 -16.269 328 2HB PRO 48 1HB PRO 48 9.433 3.175 -14.915 329 1HG PRO 48 2HG PRO 48 9.732 5.794 -14.505 330 2HG PRO 48 1HG PRO 48 10.615 4.606 -13.528 331 1HD PRO 48 2HD PRO 48 11.589 6.317 -15.774 332 2HD PRO 48 1HD PRO 48 12.422 5.827 -14.283 Start of MODEL 2 1 H VAL 1 H VAL 1 -7.784 14.521 -2.521 2 HA VAL 1 HA VAL 1 -9.540 14.221 -0.790 3 HB VAL 1 HB VAL 1 -9.221 16.957 -2.060 4 1HG1 VAL 1 1HG1 VAL 1 -10.321 17.920 -0.133 5 2HG1 VAL 1 2HG1 VAL 1 -11.428 16.714 -0.832 6 3HG1 VAL 1 3HG1 VAL 1 -10.494 16.323 0.632 7 1HG2 VAL 1 1HG2 VAL 1 -7.722 17.333 -0.200 8 2HG2 VAL 1 2HG2 VAL 1 -8.218 15.809 0.576 9 3HG2 VAL 1 3HG2 VAL 1 -7.278 15.774 -0.935 10 H ASN 2 H ASN 2 -10.539 14.397 -3.986 11 HA ASN 2 HA ASN 2 -13.256 15.156 -3.508 12 1HB ASN 2 2HB ASN 2 -13.632 14.556 -5.857 13 2HB ASN 2 1HB ASN 2 -12.243 15.623 -5.672 14 1HD2 ASN 2 1HD2 ASN 2 -13.345 12.463 -6.527 15 2HD2 ASN 2 2HD2 ASN 2 -11.850 11.885 -7.170 16 H TYR 3 H TYR 3 -11.551 12.097 -3.862 17 HA TYR 3 HA TYR 3 -12.158 9.953 -3.376 18 1HB TYR 3 2HB TYR 3 -14.603 11.301 -2.196 19 2HB TYR 3 1HB TYR 3 -14.329 9.571 -2.157 20 HD1 TYR 3 1HD TYR 3 -14.163 12.390 -0.251 21 HD2 TYR 3 2HD TYR 3 -11.778 9.016 -1.265 22 HE1 TYR 3 1HE TYR 3 -12.918 12.649 1.848 23 HE2 TYR 3 2HE TYR 3 -10.523 9.266 0.837 24 HH TYR 3 HH TYR 3 -11.442 10.687 3.356 25 H GLY 4 H GLY 4 -12.262 9.508 -5.652 26 1HA GLY 4 2HA GLY 4 -14.940 8.792 -6.541 27 2HA GLY 4 1HA GLY 4 -14.147 10.025 -7.507 28 H ASN 5 H ASN 5 -13.335 6.874 -6.066 29 HA ASN 5 HA ASN 5 -12.767 5.718 -8.624 30 1HB ASN 5 2HB ASN 5 -10.519 6.582 -6.834 31 2HB ASN 5 1HB ASN 5 -10.336 5.161 -7.858 32 1HD2 ASN 5 1HD2 ASN 5 -11.492 5.783 -10.151 33 2HD2 ASN 5 2HD2 ASN 5 -10.763 7.169 -10.880 34 H GLY 6 H GLY 6 -11.596 5.265 -5.273 35 1HA GLY 6 2HA GLY 6 -13.301 3.005 -4.829 36 2HA GLY 6 1HA GLY 6 -11.652 2.514 -5.190 37 H VAL 7 H VAL 7 -10.053 4.147 -3.898 38 HA VAL 7 HA VAL 7 -9.141 4.662 -1.886 39 HB VAL 7 HB VAL 7 -11.966 4.914 -0.855 40 1HG1 VAL 7 1HG1 VAL 7 -9.978 4.873 0.743 41 2HG1 VAL 7 2HG1 VAL 7 -11.079 6.246 0.861 42 3HG1 VAL 7 3HG1 VAL 7 -9.530 6.424 0.038 43 1HG2 VAL 7 1HG2 VAL 7 -11.344 6.234 -2.990 44 2HG2 VAL 7 2HG2 VAL 7 -10.341 7.199 -1.908 45 3HG2 VAL 7 3HG2 VAL 7 -12.081 7.097 -1.641 46 H SER 8 H SER 8 -12.095 2.842 -0.977 47 HA SER 8 HA SER 8 -12.386 1.090 0.467 48 1HB SER 8 2HB SER 8 -10.201 -0.570 0.001 49 2HB SER 8 1HB SER 8 -11.726 -0.583 -0.883 50 HG SER 8 HG SER 8 -9.255 0.226 -1.693 51 H CYS 9 H CYS 9 -12.109 2.078 2.459 52 HA CYS 9 HA CYS 9 -11.174 2.540 4.478 53 1HB CYS 9 2HB CYS 9 -9.181 0.344 3.962 54 2HB CYS 9 1HB CYS 9 -9.936 0.811 5.482 55 H SER 10 H SER 10 -10.339 4.567 3.974 56 HA SER 10 HA SER 10 -7.670 4.817 2.911 57 1HB SER 10 2HB SER 10 -9.663 6.455 2.583 58 2HB SER 10 1HB SER 10 -9.208 7.073 4.171 59 HG SER 10 HG SER 10 -8.198 7.870 1.985 60 H LYS 11 H LYS 11 -6.825 3.421 4.674 61 HA LYS 11 HA LYS 11 -5.637 3.102 6.580 62 1HB LYS 11 2HB LYS 11 -4.667 5.350 5.488 63 2HB LYS 11 1HB LYS 11 -5.224 6.006 7.019 64 1HG LYS 11 2HG LYS 11 -3.674 3.525 7.235 65 2HG LYS 11 1HG LYS 11 -2.786 4.909 6.596 66 1HD LYS 11 2HD LYS 11 -4.220 5.943 8.738 67 2HD LYS 11 1HD LYS 11 -3.674 4.362 9.303 68 1HE LYS 11 2HE LYS 11 -1.384 4.921 8.756 69 2HE LYS 11 1HE LYS 11 -1.895 6.464 8.069 70 1HZ LYS 11 1HZ LYS 11 -2.868 6.846 10.417 71 2HZ LYS 11 2HZ LYS 11 -1.208 7.054 10.169 72 3HZ LYS 11 3HZ LYS 11 -1.781 5.637 10.891 73 H THR 12 H THR 12 -8.380 3.202 6.978 74 HA THR 12 HA THR 12 -8.812 4.810 9.355 75 HB THR 12 HB THR 12 -10.704 2.894 7.960 76 HG1 THR 12 1HG THR 12 -10.608 5.719 7.825 77 1HG2 THR 12 1HG2 THR 12 -12.204 3.295 9.533 78 2HG2 THR 12 2HG2 THR 12 -11.995 5.034 9.331 79 3HG2 THR 12 3HG2 THR 12 -10.970 4.148 10.459 80 H LYS 13 H LYS 13 -9.926 1.477 8.866 81 HA LYS 13 HA LYS 13 -8.121 0.449 10.849 82 1HB LYS 13 2HB LYS 13 -9.996 -0.329 12.348 83 2HB LYS 13 1HB LYS 13 -9.658 1.397 12.387 84 1HG LYS 13 2HG LYS 13 -11.626 1.949 11.362 85 2HG LYS 13 1HG LYS 13 -11.739 0.405 10.515 86 1HD LYS 13 2HD LYS 13 -12.057 -0.606 12.865 87 2HD LYS 13 1HD LYS 13 -12.426 1.047 13.360 88 1HE LYS 13 2HE LYS 13 -14.415 1.058 12.298 89 2HE LYS 13 1HE LYS 13 -13.809 0.115 10.935 90 1HZ LYS 13 1HZ LYS 13 -15.491 -1.055 12.289 91 2HZ LYS 13 2HZ LYS 13 -14.430 -1.020 13.605 92 3HZ LYS 13 3HZ LYS 13 -14.015 -1.882 12.211 93 H CYS 14 H CYS 14 -8.640 -0.228 8.137 94 HA CYS 14 HA CYS 14 -10.213 -2.669 8.215 95 1HB CYS 14 2HB CYS 14 -9.056 -0.967 6.082 96 2HB CYS 14 1HB CYS 14 -9.235 -2.683 5.715 97 H SER 15 H SER 15 -9.316 -4.678 7.211 98 HA SER 15 HA SER 15 -6.511 -5.104 8.059 99 1HB SER 15 2HB SER 15 -8.808 -7.066 8.144 100 2HB SER 15 1HB SER 15 -7.149 -7.391 8.639 101 HG SER 15 HG SER 15 -7.495 -6.372 10.461 102 H VAL 16 H VAL 16 -8.615 -5.241 5.420 103 HA VAL 16 HA VAL 16 -6.581 -6.290 3.713 104 HB VAL 16 HB VAL 16 -7.480 -8.427 4.569 105 1HG1 VAL 16 1HG1 VAL 16 -9.667 -8.997 4.601 106 2HG1 VAL 16 2HG1 VAL 16 -10.043 -8.079 3.143 107 3HG1 VAL 16 3HG1 VAL 16 -9.875 -7.249 4.691 108 1HG2 VAL 16 1HG2 VAL 16 -8.238 -9.328 2.258 109 2HG2 VAL 16 2HG2 VAL 16 -6.607 -8.680 2.426 110 3HG2 VAL 16 3HG2 VAL 16 -7.873 -7.700 1.685 111 H ASN 17 H ASN 17 -6.737 -4.603 2.438 112 HA ASN 17 HA ASN 17 -9.213 -4.220 0.902 113 1HB ASN 17 2HB ASN 17 -8.637 -1.730 0.956 114 2HB ASN 17 1HB ASN 17 -9.292 -2.413 2.441 115 1HD2 ASN 17 1HD2 ASN 17 -7.397 -0.128 1.704 116 2HD2 ASN 17 2HD2 ASN 17 -6.083 -0.325 2.807 117 H TRP 18 H TRP 18 -8.891 -3.826 -1.266 118 HA TRP 18 HA TRP 18 -6.609 -4.711 -2.511 119 1HB TRP 18 2HB TRP 18 -8.991 -3.197 -3.335 120 2HB TRP 18 1HB TRP 18 -7.583 -2.886 -4.347 121 HD1 TRP 18 HD TRP 18 -6.283 -5.686 -4.559 122 HE1 TRP 18 1HE TRP 18 -7.479 -7.647 -5.713 123 HE3 TRP 18 3HE TRP 18 -11.096 -3.968 -4.313 124 HZ2 TRP 18 2HZ TRP 18 -10.106 -8.371 -6.431 125 HZ3 TRP 18 3HZ TRP 18 -12.890 -5.357 -5.267 126 HH2 TRP 18 HH TRP 18 -12.403 -7.512 -6.305 127 H GLY 19 H GLY 19 -7.267 -1.553 -1.181 128 1HA GLY 19 2HA GLY 19 -5.301 -0.072 -2.562 129 2HA GLY 19 1HA GLY 19 -5.989 0.351 -1.001 130 H GLN 20 H GLN 20 -5.137 -1.160 0.841 131 HA GLN 20 HA GLN 20 -2.331 -0.705 0.978 132 1HB GLN 20 2HB GLN 20 -4.297 -2.058 2.808 133 2HB GLN 20 1HB GLN 20 -2.575 -2.016 3.171 134 1HG GLN 20 2HG GLN 20 -4.017 0.515 2.534 135 2HG GLN 20 1HG GLN 20 -4.156 -0.199 4.142 136 1HE2 GLN 20 1HE2 GLN 20 -3.100 1.596 5.043 137 2HE2 GLN 20 2HE2 GLN 20 -1.392 1.808 4.899 138 H ALA 21 H ALA 21 -4.289 -3.535 0.306 139 HA ALA 21 HA ALA 21 -2.387 -5.544 0.689 140 1HB ALA 21 1HB ALA 21 -4.811 -5.896 0.239 141 2HB ALA 21 2HB ALA 21 -3.750 -6.911 -0.738 142 3HB ALA 21 3HB ALA 21 -4.510 -5.488 -1.451 143 H PHE 22 H PHE 22 -3.351 -4.295 -2.501 144 HA PHE 22 HA PHE 22 -1.200 -5.353 -3.885 145 1HB PHE 22 2HB PHE 22 -3.237 -4.298 -4.939 146 2HB PHE 22 1HB PHE 22 -2.510 -2.723 -4.613 147 HD1 PHE 22 1HD PHE 22 -1.189 -5.955 -5.932 148 HD2 PHE 22 2HD PHE 22 -1.700 -1.782 -6.486 149 HE1 PHE 22 1HE PHE 22 0.171 -6.063 -7.961 150 HE2 PHE 22 2HE PHE 22 -0.358 -1.877 -8.518 151 HZ PHE 22 HZ PHE 22 0.585 -4.020 -9.281 152 H GLN 23 H GLN 23 -1.357 -2.268 -2.111 153 HA GLN 23 HA GLN 23 1.095 -1.315 -3.265 154 1HB GLN 23 2HB GLN 23 -0.887 -0.290 -1.371 155 2HB GLN 23 1HB GLN 23 0.752 0.073 -0.863 156 1HG GLN 23 2HG GLN 23 1.070 0.885 -3.295 157 2HG GLN 23 1HG GLN 23 -0.693 0.953 -3.321 158 1HE2 GLN 23 1HE2 GLN 23 -1.165 1.784 -0.706 159 2HE2 GLN 23 2HE2 GLN 23 -0.565 3.393 -0.516 160 H GLU 24 H GLU 24 0.190 -2.943 -0.273 161 HA GLU 24 HA GLU 24 2.740 -2.755 0.954 162 1HB GLU 24 2HB GLU 24 0.532 -3.284 2.100 163 2HB GLU 24 1HB GLU 24 0.677 -4.907 1.437 164 1HG GLU 24 2HG GLU 24 1.552 -5.188 3.534 165 2HG GLU 24 1HG GLU 24 3.006 -4.878 2.585 166 H ARG 25 H ARG 25 1.285 -4.837 -1.377 167 HA ARG 25 HA ARG 25 3.257 -6.913 -1.230 168 1HB ARG 25 2HB ARG 25 0.678 -6.741 -2.140 169 2HB ARG 25 1HB ARG 25 1.583 -6.701 -3.647 170 1HG ARG 25 2HG ARG 25 2.827 -8.746 -2.683 171 2HG ARG 25 1HG ARG 25 1.456 -8.849 -1.578 172 1HD ARG 25 2HD ARG 25 -0.059 -9.256 -3.302 173 2HD ARG 25 1HD ARG 25 1.031 -8.629 -4.535 174 HE ARG 25 HE ARG 25 0.997 -11.300 -3.430 175 1HH1 ARG 25 1HH1 ARG 25 2.830 -8.921 -5.210 176 2HH1 ARG 25 2HH1 ARG 25 3.855 -10.094 -5.965 177 1HH2 ARG 25 1HH2 ARG 25 2.346 -12.844 -4.425 178 2HH2 ARG 25 2HH2 ARG 25 3.581 -12.319 -5.520 179 H TYR 26 H TYR 26 2.361 -4.492 -3.697 180 HA TYR 26 HA TYR 26 4.678 -5.052 -5.292 181 1HB TYR 26 2HB TYR 26 3.628 -3.876 -6.886 182 2HB TYR 26 1HB TYR 26 2.258 -4.067 -5.812 183 HD1 TYR 26 1HD TYR 26 4.887 -1.653 -6.845 184 HD2 TYR 26 2HD TYR 26 1.202 -2.234 -4.915 185 HE1 TYR 26 1HE TYR 26 4.479 0.760 -6.865 186 HE2 TYR 26 2HE TYR 26 0.731 0.144 -4.966 187 HH TYR 26 HH TYR 26 2.018 2.251 -5.086 188 H THR 27 H THR 27 3.705 -2.113 -3.473 189 HA THR 27 HA THR 27 6.036 -0.677 -3.939 190 HB THR 27 HB THR 27 4.605 -0.508 -1.303 191 HG1 THR 27 1HG THR 27 2.816 -0.121 -2.287 192 1HG2 THR 27 1HG2 THR 27 4.784 2.013 -2.299 193 2HG2 THR 27 2HG2 THR 27 6.269 1.276 -2.910 194 3HG2 THR 27 3HG2 THR 27 5.931 1.279 -1.179 195 H ALA 28 H ALA 28 5.404 -3.249 -1.665 196 HA ALA 28 HA ALA 28 7.717 -2.894 -0.073 197 1HB ALA 28 1HB ALA 28 7.338 -5.314 0.538 198 2HB ALA 28 2HB ALA 28 5.978 -5.297 -0.583 199 3HB ALA 28 3HB ALA 28 5.975 -4.232 0.822 200 H GLY 29 H GLY 29 7.064 -5.080 -2.814 201 1HA GLY 29 2HA GLY 29 9.686 -6.170 -2.879 202 2HA GLY 29 1HA GLY 29 8.491 -6.280 -4.160 203 H ILE 30 H ILE 30 8.149 -3.538 -4.692 204 HA ILE 30 HA ILE 30 10.371 -3.101 -6.417 205 HB ILE 30 HB ILE 30 8.058 -2.387 -6.961 206 1HG1 ILE 30 2HG1 ILE 30 8.675 -0.185 -7.917 207 2HG1 ILE 30 1HG1 ILE 30 10.118 -0.169 -6.909 208 1HG2 ILE 30 1HG2 ILE 30 8.451 -0.044 -5.139 209 2HG2 ILE 30 2HG2 ILE 30 7.674 -1.524 -4.580 210 3HG2 ILE 30 3HG2 ILE 30 6.973 -0.612 -5.917 211 1HD1 ILE 30 1HD1 ILE 30 10.312 -0.891 -9.368 212 2HD1 ILE 30 2HD1 ILE 30 9.618 -2.416 -8.814 213 3HD1 ILE 30 3HD1 ILE 30 11.142 -1.842 -8.136 214 H ASN 31 H ASN 31 9.269 -1.571 -3.405 215 HA ASN 31 HA ASN 31 11.217 0.461 -3.335 216 1HB ASN 31 2HB ASN 31 9.165 0.403 -1.889 217 2HB ASN 31 1HB ASN 31 9.926 -0.875 -0.938 218 1HD2 ASN 31 1HD2 ASN 31 9.154 2.124 -0.630 219 2HD2 ASN 31 2HD2 ASN 31 10.522 2.776 0.198 220 H SER 32 H SER 32 11.182 -2.829 -2.008 221 HA SER 32 HA SER 32 13.614 -2.694 -0.637 222 1HB SER 32 2HB SER 32 11.939 -4.914 -1.730 223 2HB SER 32 1HB SER 32 13.596 -5.291 -1.257 224 HG SER 32 HG SER 32 13.138 -4.815 0.799 225 H PHE 33 H PHE 33 12.908 -3.382 -4.015 226 HA PHE 33 HA PHE 33 15.432 -4.302 -4.806 227 1HB PHE 33 2HB PHE 33 14.114 -4.565 -6.623 228 2HB PHE 33 1HB PHE 33 13.022 -3.287 -6.113 229 HD1 PHE 33 1HD PHE 33 13.286 -1.030 -6.906 230 HD2 PHE 33 2HD PHE 33 16.031 -4.065 -8.052 231 HE1 PHE 33 1HE PHE 33 14.171 0.447 -8.653 232 HE2 PHE 33 2HE PHE 33 16.922 -2.597 -9.812 233 HZ PHE 33 HZ PHE 33 15.993 -0.335 -10.115 234 H VAL 34 H VAL 34 14.176 -1.055 -4.340 235 HA VAL 34 HA VAL 34 16.368 0.283 -5.577 236 HB VAL 34 HB VAL 34 14.618 1.541 -3.493 237 1HG1 VAL 34 1HG1 VAL 34 14.841 3.421 -5.250 238 2HG1 VAL 34 2HG1 VAL 34 16.185 2.461 -5.868 239 3HG1 VAL 34 3HG1 VAL 34 16.214 3.056 -4.208 240 1HG2 VAL 34 1HG2 VAL 34 13.149 2.100 -5.561 241 2HG2 VAL 34 2HG2 VAL 34 12.953 0.543 -4.756 242 3HG2 VAL 34 3HG2 VAL 34 13.879 0.652 -6.251 243 H SER 35 H SER 35 15.417 0.162 -2.165 244 HA SER 35 HA SER 35 17.629 1.317 -1.050 245 1HB SER 35 2HB SER 35 15.992 -0.988 0.012 246 2HB SER 35 1HB SER 35 17.171 -0.094 0.971 247 HG SER 35 HG SER 35 14.872 0.989 -0.293 248 H GLY 36 H GLY 36 17.199 -2.200 -1.484 249 1HA GLY 36 2HA GLY 36 19.751 -2.978 -0.670 250 2HA GLY 36 1HA GLY 36 18.738 -3.885 -1.782 251 H VAL 37 H VAL 37 18.592 -2.360 -3.972 252 HA VAL 37 HA VAL 37 21.080 -2.780 -5.231 253 HB VAL 37 HB VAL 37 18.625 -1.244 -6.095 254 1HG1 VAL 37 1HG1 VAL 37 21.083 -1.867 -7.724 255 2HG1 VAL 37 2HG1 VAL 37 20.497 -0.267 -7.269 256 3HG1 VAL 37 3HG1 VAL 37 19.556 -1.269 -8.372 257 1HG2 VAL 37 1HG2 VAL 37 18.039 -3.143 -7.321 258 2HG2 VAL 37 2HG2 VAL 37 18.642 -3.791 -5.798 259 3HG2 VAL 37 3HG2 VAL 37 19.666 -3.816 -7.233 260 H ALA 38 H ALA 38 19.735 -0.075 -3.513 261 HA ALA 38 HA ALA 38 21.557 1.874 -4.616 262 1HB ALA 38 1HB ALA 38 19.568 1.919 -2.369 263 2HB ALA 38 2HB ALA 38 19.511 2.769 -3.913 264 3HB ALA 38 3HB ALA 38 20.661 3.270 -2.673 265 H SER 39 H SER 39 21.587 -0.395 -2.005 266 HA SER 39 HA SER 39 23.621 0.925 -0.473 267 1HB SER 39 2HB SER 39 21.825 -1.024 0.110 268 2HB SER 39 1HB SER 39 23.277 -1.993 -0.135 269 HG SER 39 HG SER 39 22.611 -0.495 1.970 270 H GLY 40 H GLY 40 23.573 -1.895 -2.644 271 1HA GLY 40 2HA GLY 40 26.486 -2.039 -2.549 272 2HA GLY 40 1HA GLY 40 25.413 -3.177 -3.343 273 H ALA 41 H ALA 41 23.982 -0.953 -4.734 274 HA ALA 41 HA ALA 41 24.089 0.196 -6.719 275 1HB ALA 41 1HB ALA 41 25.911 1.528 -7.174 276 2HB ALA 41 2HB ALA 41 27.053 0.392 -6.455 277 3HB ALA 41 3HB ALA 41 25.981 1.340 -5.422 278 H GLY 42 H GLY 42 23.556 -1.934 -7.536 279 1HA GLY 42 2HA GLY 42 25.714 -3.141 -9.180 280 2HA GLY 42 1HA GLY 42 24.314 -4.015 -8.581 281 H SER 43 H SER 43 24.281 -0.801 -10.052 282 HA SER 43 HA SER 43 22.556 -1.899 -12.177 283 1HB SER 43 2HB SER 43 21.805 0.490 -12.448 284 2HB SER 43 1HB SER 43 21.409 -0.230 -10.888 285 HG SER 43 HG SER 43 22.325 1.917 -10.778 286 H ILE 44 H ILE 44 25.683 -1.370 -11.881 287 HA ILE 44 HA ILE 44 25.973 -0.195 -14.578 288 HB ILE 44 HB ILE 44 28.231 0.579 -13.860 289 1HG1 ILE 44 2HG1 ILE 44 27.386 0.476 -11.016 290 2HG1 ILE 44 1HG1 ILE 44 27.938 -1.038 -11.727 291 1HG2 ILE 44 1HG2 ILE 44 27.448 2.605 -13.029 292 2HG2 ILE 44 2HG2 ILE 44 26.137 1.841 -12.131 293 3HG2 ILE 44 3HG2 ILE 44 26.056 1.948 -13.889 294 1HD1 ILE 44 1HD1 ILE 44 29.894 0.625 -12.545 295 2HD1 ILE 44 2HD1 ILE 44 29.947 -0.311 -11.050 296 3HD1 ILE 44 3HD1 ILE 44 29.442 1.379 -11.016 297 H GLY 45 H GLY 45 26.471 -2.922 -12.650 298 1HA GLY 45 2HA GLY 45 27.240 -4.988 -13.461 299 2HA GLY 45 1HA GLY 45 28.014 -4.148 -14.798 300 H ARG 46 H ARG 46 29.238 -2.193 -12.901 301 HA ARG 46 HA ARG 46 31.179 -1.925 -11.721 302 1HB ARG 46 2HB ARG 46 29.902 -3.918 -10.385 303 2HB ARG 46 1HB ARG 46 31.386 -4.741 -10.841 304 1HG ARG 46 2HG ARG 46 32.435 -2.480 -9.884 305 2HG ARG 46 1HG ARG 46 30.947 -2.529 -8.936 306 1HD ARG 46 2HD ARG 46 31.549 -4.443 -7.836 307 2HD ARG 46 1HD ARG 46 32.550 -5.020 -9.167 308 HE ARG 46 HE ARG 46 33.569 -2.674 -7.838 309 1HH1 ARG 46 1HH1 ARG 46 33.521 -6.164 -7.894 310 2HH1 ARG 46 2HH1 ARG 46 35.028 -6.322 -7.056 311 1HH2 ARG 46 1HH2 ARG 46 35.551 -2.882 -6.736 312 2HH2 ARG 46 2HH2 ARG 46 36.180 -4.460 -6.399 313 H ARG 47 H ARG 47 33.024 -1.690 -12.777 314 HA ARG 47 HA ARG 47 34.459 -4.001 -13.787 315 1HB ARG 47 2HB ARG 47 33.484 -1.790 -15.596 316 2HB ARG 47 1HB ARG 47 34.858 -2.806 -16.005 317 1HG ARG 47 2HG ARG 47 33.505 -4.754 -16.088 318 2HG ARG 47 1HG ARG 47 32.132 -3.904 -15.387 319 1HD ARG 47 2HD ARG 47 33.326 -2.935 -17.946 320 2HD ARG 47 1HD ARG 47 32.240 -4.324 -17.959 321 HE ARG 47 HE ARG 47 31.137 -2.118 -16.526 322 1HH1 ARG 47 1HH1 ARG 47 31.672 -3.395 -19.730 323 2HH1 ARG 47 2HH1 ARG 47 30.342 -2.538 -20.431 324 1HH2 ARG 47 1HH2 ARG 47 29.382 -0.991 -17.447 325 2HH2 ARG 47 2HH2 ARG 47 29.041 -1.172 -19.135 326 HA PRO 48 HA PRO 48 37.883 -1.530 -12.495 327 1HB PRO 48 2HB PRO 48 39.911 -2.553 -13.941 328 2HB PRO 48 1HB PRO 48 39.122 -3.473 -12.655 329 1HG PRO 48 2HG PRO 48 38.704 -3.617 -15.617 330 2HG PRO 48 1HG PRO 48 38.842 -4.938 -14.442 331 1HD PRO 48 2HD PRO 48 36.454 -4.040 -15.401 332 2HD PRO 48 1HD PRO 48 36.648 -4.751 -13.784 Start of MODEL 3 1 H VAL 1 H VAL 1 -28.757 22.158 -6.672 2 HA VAL 1 HA VAL 1 -26.953 20.493 -7.045 3 HB VAL 1 HB VAL 1 -25.609 21.797 -8.585 4 1HG1 VAL 1 1HG1 VAL 1 -27.809 21.469 -9.425 5 2HG1 VAL 1 2HG1 VAL 1 -28.506 22.652 -8.292 6 3HG1 VAL 1 3HG1 VAL 1 -27.499 23.207 -9.651 7 1HG2 VAL 1 1HG2 VAL 1 -25.705 24.279 -8.558 8 2HG2 VAL 1 2HG2 VAL 1 -26.704 24.216 -7.086 9 3HG2 VAL 1 3HG2 VAL 1 -25.023 23.634 -7.045 10 H ASN 2 H ASN 2 -24.389 20.591 -7.123 11 HA ASN 2 HA ASN 2 -23.168 21.869 -4.878 12 1HB ASN 2 2HB ASN 2 -24.450 19.775 -4.013 13 2HB ASN 2 1HB ASN 2 -23.107 18.883 -4.720 14 1HD2 ASN 2 1HD2 ASN 2 -24.045 19.411 -1.906 15 2HD2 ASN 2 2HD2 ASN 2 -22.628 19.955 -1.079 16 H TYR 3 H TYR 3 -22.905 19.230 -7.221 17 HA TYR 3 HA TYR 3 -20.021 19.394 -7.339 18 1HB TYR 3 2HB TYR 3 -20.376 17.785 -9.296 19 2HB TYR 3 1HB TYR 3 -20.904 17.236 -7.710 20 HD1 TYR 3 1HD TYR 3 -23.158 16.656 -7.314 21 HD2 TYR 3 2HD TYR 3 -22.096 18.624 -10.927 22 HE1 TYR 3 1HE TYR 3 -25.407 16.228 -8.204 23 HE2 TYR 3 2HE TYR 3 -24.341 18.204 -11.825 24 HH TYR 3 HH TYR 3 -26.382 16.008 -10.705 25 H GLY 4 H GLY 4 -22.751 20.519 -9.283 26 1HA GLY 4 2HA GLY 4 -22.870 21.937 -11.087 27 2HA GLY 4 1HA GLY 4 -21.446 22.694 -10.395 28 H ASN 5 H ASN 5 -22.403 19.906 -12.399 29 HA ASN 5 HA ASN 5 -21.443 18.963 -14.233 30 1HB ASN 5 2HB ASN 5 -21.381 21.604 -14.732 31 2HB ASN 5 1HB ASN 5 -19.650 21.281 -14.741 32 1HD2 ASN 5 1HD2 ASN 5 -19.275 19.009 -15.941 33 2HD2 ASN 5 2HD2 ASN 5 -19.954 18.973 -17.529 34 H GLY 6 H GLY 6 -20.276 18.446 -11.712 35 1HA GLY 6 2HA GLY 6 -17.515 17.838 -12.570 36 2HA GLY 6 1HA GLY 6 -17.813 18.532 -10.983 37 H VAL 7 H VAL 7 -19.868 16.163 -12.560 38 HA VAL 7 HA VAL 7 -19.511 14.373 -10.297 39 HB VAL 7 HB VAL 7 -21.781 14.790 -11.140 40 1HG1 VAL 7 1HG1 VAL 7 -20.706 14.712 -13.623 41 2HG1 VAL 7 2HG1 VAL 7 -22.430 14.579 -13.278 42 3HG1 VAL 7 3HG1 VAL 7 -21.468 13.123 -13.531 43 1HG2 VAL 7 1HG2 VAL 7 -20.767 12.436 -10.306 44 2HG2 VAL 7 2HG2 VAL 7 -21.454 11.958 -11.858 45 3HG2 VAL 7 3HG2 VAL 7 -22.477 12.709 -10.634 46 H SER 8 H SER 8 -17.815 13.048 -10.359 47 HA SER 8 HA SER 8 -17.442 11.339 -12.686 48 1HB SER 8 2HB SER 8 -15.909 12.998 -13.341 49 2HB SER 8 1HB SER 8 -15.349 13.269 -11.690 50 HG SER 8 HG SER 8 -14.900 10.969 -13.294 51 H CYS 9 H CYS 9 -17.712 9.442 -11.723 52 HA CYS 9 HA CYS 9 -15.812 8.590 -9.714 53 1HB CYS 9 2HB CYS 9 -17.508 9.555 -8.282 54 2HB CYS 9 1HB CYS 9 -18.786 8.710 -9.148 55 H SER 10 H SER 10 -15.080 6.876 -10.888 56 HA SER 10 HA SER 10 -16.806 4.611 -11.228 57 1HB SER 10 2HB SER 10 -15.739 5.976 -13.708 58 2HB SER 10 1HB SER 10 -16.558 4.415 -13.670 59 HG SER 10 HG SER 10 -17.976 6.143 -14.200 60 H LYS 11 H LYS 11 -15.285 3.504 -10.006 61 HA LYS 11 HA LYS 11 -13.557 2.044 -9.751 62 1HB LYS 11 2HB LYS 11 -13.715 2.253 -12.538 63 2HB LYS 11 1HB LYS 11 -12.023 2.521 -12.160 64 1HG LYS 11 2HG LYS 11 -12.615 0.151 -12.630 65 2HG LYS 11 1HG LYS 11 -11.849 0.413 -11.063 66 1HD LYS 11 2HD LYS 11 -13.747 -0.092 -9.897 67 2HD LYS 11 1HD LYS 11 -14.816 0.489 -11.175 68 1HE LYS 11 2HE LYS 11 -15.035 -1.894 -11.021 69 2HE LYS 11 1HE LYS 11 -14.197 -1.504 -12.522 70 1HZ LYS 11 1HZ LYS 11 -12.574 -2.060 -10.152 71 2HZ LYS 11 2HZ LYS 11 -12.257 -2.394 -11.779 72 3HZ LYS 11 3HZ LYS 11 -13.333 -3.369 -10.911 73 H THR 12 H THR 12 -13.419 5.204 -9.693 74 HA THR 12 HA THR 12 -10.713 5.231 -8.640 75 HB THR 12 HB THR 12 -10.615 7.580 -9.993 76 HG1 THR 12 1HG THR 12 -11.928 7.541 -11.603 77 1HG2 THR 12 1HG2 THR 12 -9.087 5.380 -9.979 78 2HG2 THR 12 2HG2 THR 12 -8.845 6.739 -11.080 79 3HG2 THR 12 3HG2 THR 12 -9.721 5.307 -11.623 80 H LYS 13 H LYS 13 -10.248 7.148 -7.399 81 HA LYS 13 HA LYS 13 -10.716 8.760 -5.880 82 1HB LYS 13 2HB LYS 13 -12.347 9.434 -8.029 83 2HB LYS 13 1HB LYS 13 -13.443 9.421 -6.654 84 1HG LYS 13 2HG LYS 13 -11.221 10.760 -5.710 85 2HG LYS 13 1HG LYS 13 -11.389 11.331 -7.370 86 1HD LYS 13 2HD LYS 13 -12.658 12.786 -5.959 87 2HD LYS 13 1HD LYS 13 -13.796 11.801 -6.881 88 1HE LYS 13 2HE LYS 13 -14.725 11.583 -4.814 89 2HE LYS 13 1HE LYS 13 -13.585 10.239 -4.747 90 1HZ LYS 13 1HZ LYS 13 -13.134 12.958 -3.642 91 2HZ LYS 13 2HZ LYS 13 -12.018 11.688 -3.598 92 3HZ LYS 13 3HZ LYS 13 -13.473 11.565 -2.745 93 H CYS 14 H CYS 14 -13.942 7.405 -6.518 94 HA CYS 14 HA CYS 14 -14.553 7.219 -3.748 95 1HB CYS 14 2HB CYS 14 -16.008 5.701 -5.896 96 2HB CYS 14 1HB CYS 14 -16.652 6.377 -4.404 97 H SER 15 H SER 15 -12.999 5.960 -2.751 98 HA SER 15 HA SER 15 -12.078 4.045 -1.938 99 1HB SER 15 2HB SER 15 -13.965 2.269 -3.385 100 2HB SER 15 1HB SER 15 -13.463 2.240 -1.695 101 HG SER 15 HG SER 15 -14.828 4.038 -1.341 102 H VAL 16 H VAL 16 -11.252 1.768 -2.744 103 HA VAL 16 HA VAL 16 -10.724 1.558 -5.539 104 HB VAL 16 HB VAL 16 -9.137 3.346 -4.971 105 1HG1 VAL 16 1HG1 VAL 16 -7.417 3.126 -3.404 106 2HG1 VAL 16 2HG1 VAL 16 -7.626 1.379 -3.281 107 3HG1 VAL 16 3HG1 VAL 16 -8.829 2.461 -2.580 108 1HG2 VAL 16 1HG2 VAL 16 -8.082 0.656 -5.776 109 2HG2 VAL 16 2HG2 VAL 16 -7.043 2.082 -5.741 110 3HG2 VAL 16 3HG2 VAL 16 -8.461 2.048 -6.791 111 H ASN 17 H ASN 17 -10.988 -0.542 -5.766 112 HA ASN 17 HA ASN 17 -10.482 -2.429 -3.698 113 1HB ASN 17 2HB ASN 17 -12.063 -2.472 -5.870 114 2HB ASN 17 1HB ASN 17 -10.689 -3.366 -6.512 115 1HD2 ASN 17 1HD2 ASN 17 -12.137 -5.167 -6.646 116 2HD2 ASN 17 2HD2 ASN 17 -12.466 -6.121 -5.244 117 H TRP 18 H TRP 18 -8.973 -4.137 -3.679 118 HA TRP 18 HA TRP 18 -6.819 -4.878 -3.607 119 1HB TRP 18 2HB TRP 18 -5.908 -5.566 -5.680 120 2HB TRP 18 1HB TRP 18 -7.648 -5.618 -5.906 121 HD1 TRP 18 HD TRP 18 -4.598 -3.452 -6.871 122 HE1 TRP 18 1HE TRP 18 -5.161 -2.177 -9.025 123 HE3 TRP 18 3HE TRP 18 -9.484 -4.850 -7.383 124 HZ2 TRP 18 2HZ TRP 18 -7.375 -1.814 -10.725 125 HZ3 TRP 18 3HZ TRP 18 -10.753 -3.997 -9.310 126 HH2 TRP 18 HH TRP 18 -9.719 -2.510 -10.946 127 H GLY 19 H GLY 19 -7.256 -1.992 -3.188 128 1HA GLY 19 2HA GLY 19 -4.850 -0.765 -4.294 129 2HA GLY 19 1HA GLY 19 -6.065 0.024 -3.300 130 H GLN 20 H GLN 20 -6.198 -1.618 -1.136 131 HA GLN 20 HA GLN 20 -3.938 -0.783 0.357 132 1HB GLN 20 2HB GLN 20 -6.207 -2.663 1.021 133 2HB GLN 20 1HB GLN 20 -4.986 -2.164 2.184 134 1HG GLN 20 2HG GLN 20 -6.772 -0.736 2.594 135 2HG GLN 20 1HG GLN 20 -5.674 0.230 1.608 136 1HE2 GLN 20 1HE2 GLN 20 -8.589 -1.742 1.508 137 2HE2 GLN 20 2HE2 GLN 20 -9.290 -0.965 0.134 138 H ALA 21 H ALA 21 -4.895 -3.873 -1.048 139 HA ALA 21 HA ALA 21 -2.778 -5.382 0.154 140 1HB ALA 21 1HB ALA 21 -4.396 -6.080 -2.291 141 2HB ALA 21 2HB ALA 21 -4.929 -6.355 -0.632 142 3HB ALA 21 3HB ALA 21 -3.501 -7.186 -1.248 143 H PHE 22 H PHE 22 -3.301 -4.217 -3.179 144 HA PHE 22 HA PHE 22 -0.912 -5.130 -4.256 145 1HB PHE 22 2HB PHE 22 -2.770 -4.123 -5.581 146 2HB PHE 22 1HB PHE 22 -2.263 -2.527 -5.015 147 HD1 PHE 22 1HD PHE 22 -1.212 -1.340 -6.610 148 HD2 PHE 22 2HD PHE 22 -0.509 -5.520 -6.388 149 HE1 PHE 22 1HE PHE 22 0.420 -1.152 -8.413 150 HE2 PHE 22 2HE PHE 22 1.130 -5.345 -8.194 151 HZ PHE 22 HZ PHE 22 1.595 -3.156 -9.230 152 H GLN 23 H GLN 23 -1.449 -2.273 -2.258 153 HA GLN 23 HA GLN 23 1.038 -1.049 -3.012 154 1HB GLN 23 2HB GLN 23 -1.198 -0.080 -1.812 155 2HB GLN 23 1HB GLN 23 -0.165 -0.302 -0.411 156 1HG GLN 23 2HG GLN 23 1.432 1.219 -1.210 157 2HG GLN 23 1HG GLN 23 0.763 1.194 -2.835 158 1HE2 GLN 23 1HE2 GLN 23 1.181 3.215 -0.484 159 2HE2 GLN 23 2HE2 GLN 23 -0.287 4.124 -0.519 160 H GLU 24 H GLU 24 -0.114 -2.948 -0.270 161 HA GLU 24 HA GLU 24 2.310 -2.879 1.200 162 1HB GLU 24 2HB GLU 24 -0.056 -3.536 1.993 163 2HB GLU 24 1HB GLU 24 0.298 -5.117 1.311 164 1HG GLU 24 2HG GLU 24 2.336 -5.175 2.771 165 2HG GLU 24 1HG GLU 24 1.721 -3.722 3.558 166 H ARG 25 H ARG 25 1.088 -4.796 -1.413 167 HA ARG 25 HA ARG 25 3.046 -6.870 -1.236 168 1HB ARG 25 2HB ARG 25 0.574 -6.600 -2.391 169 2HB ARG 25 1HB ARG 25 1.635 -6.466 -3.788 170 1HG ARG 25 2HG ARG 25 2.593 -8.588 -3.378 171 2HG ARG 25 1HG ARG 25 1.846 -8.690 -1.784 172 1HD ARG 25 2HD ARG 25 0.190 -9.824 -2.742 173 2HD ARG 25 1HD ARG 25 -0.284 -8.320 -3.529 174 HE ARG 25 HE ARG 25 1.083 -10.574 -4.731 175 1HH1 ARG 25 1HH1 ARG 25 0.196 -7.211 -5.032 176 2HH1 ARG 25 2HH1 ARG 25 0.366 -7.196 -6.755 177 1HH2 ARG 25 1HH2 ARG 25 1.304 -10.549 -6.996 178 2HH2 ARG 25 2HH2 ARG 25 0.991 -9.086 -7.868 179 H TYR 26 H TYR 26 2.411 -4.226 -3.533 180 HA TYR 26 HA TYR 26 4.819 -4.666 -5.007 181 1HB TYR 26 2HB TYR 26 3.890 -3.286 -6.512 182 2HB TYR 26 1HB TYR 26 2.458 -3.540 -5.532 183 HD1 TYR 26 1HD TYR 26 1.334 -1.759 -4.664 184 HD2 TYR 26 2HD TYR 26 5.278 -1.131 -5.995 185 HE1 TYR 26 1HE TYR 26 0.953 0.624 -4.463 186 HE2 TYR 26 2HE TYR 26 4.954 1.286 -5.749 187 HH TYR 26 HH TYR 26 2.236 2.652 -4.172 188 H THR 27 H THR 27 3.798 -1.919 -2.928 189 HA THR 27 HA THR 27 6.201 -0.533 -3.044 190 HB THR 27 HB THR 27 4.524 -0.606 -0.552 191 HG1 THR 27 1HG THR 27 3.732 1.232 -2.399 192 1HG2 THR 27 1HG2 THR 27 6.065 0.984 -0.111 193 2HG2 THR 27 2HG2 THR 27 4.936 1.978 -1.031 194 3HG2 THR 27 3HG2 THR 27 6.373 1.320 -1.814 195 H ALA 28 H ALA 28 5.378 -3.380 -1.229 196 HA ALA 28 HA ALA 28 7.542 -3.207 0.618 197 1HB ALA 28 1HB ALA 28 5.878 -5.558 -0.276 198 2HB ALA 28 2HB ALA 28 5.643 -4.573 1.168 199 3HB ALA 28 3HB ALA 28 7.060 -5.614 1.032 200 H GLY 29 H GLY 29 7.063 -5.127 -2.352 201 1HA GLY 29 2HA GLY 29 9.705 -6.200 -2.329 202 2HA GLY 29 1HA GLY 29 8.577 -6.248 -3.678 203 H ILE 30 H ILE 30 8.207 -3.529 -4.140 204 HA ILE 30 HA ILE 30 10.438 -2.955 -5.749 205 HB ILE 30 HB ILE 30 8.127 -2.121 -6.164 206 1HG1 ILE 30 2HG1 ILE 30 9.031 0.351 -6.633 207 2HG1 ILE 30 1HG1 ILE 30 10.568 -0.419 -6.249 208 1HG2 ILE 30 1HG2 ILE 30 8.715 0.084 -4.218 209 2HG2 ILE 30 2HG2 ILE 30 7.850 -1.374 -3.733 210 3HG2 ILE 30 3HG2 ILE 30 7.186 -0.332 -4.992 211 1HD1 ILE 30 1HD1 ILE 30 8.640 -1.236 -8.409 212 2HD1 ILE 30 2HD1 ILE 30 10.122 -2.099 -7.995 213 3HD1 ILE 30 3HD1 ILE 30 10.206 -0.452 -8.623 214 H ASN 31 H ASN 31 9.436 -1.608 -2.599 215 HA ASN 31 HA ASN 31 11.399 0.363 -2.406 216 1HB ASN 31 2HB ASN 31 9.435 0.067 -0.843 217 2HB ASN 31 1HB ASN 31 10.341 -1.237 -0.065 218 1HD2 ASN 31 1HD2 ASN 31 9.415 1.621 0.624 219 2HD2 ASN 31 2HD2 ASN 31 10.813 2.315 1.364 220 H SER 32 H SER 32 11.480 -3.013 -1.278 221 HA SER 32 HA SER 32 14.060 -2.941 -0.207 222 1HB SER 32 2HB SER 32 13.973 -5.315 -0.149 223 2HB SER 32 1HB SER 32 12.301 -4.781 0.041 224 HG SER 32 HG SER 32 12.296 -6.375 -1.489 225 H PHE 33 H PHE 33 12.967 -3.618 -3.494 226 HA PHE 33 HA PHE 33 15.388 -4.475 -4.586 227 1HB PHE 33 2HB PHE 33 14.013 -4.697 -6.342 228 2HB PHE 33 1HB PHE 33 12.790 -3.731 -5.535 229 HD1 PHE 33 1HD PHE 33 15.874 -3.365 -7.588 230 HD2 PHE 33 2HD PHE 33 12.094 -1.745 -6.516 231 HE1 PHE 33 1HE PHE 33 16.127 -1.634 -9.311 232 HE2 PHE 33 2HE PHE 33 12.347 -0.012 -8.225 233 HZ PHE 33 HZ PHE 33 14.362 0.045 -9.631 234 H VAL 34 H VAL 34 14.166 -1.239 -3.964 235 HA VAL 34 HA VAL 34 16.081 0.253 -5.396 236 HB VAL 34 HB VAL 34 14.835 1.204 -2.844 237 1HG1 VAL 34 1HG1 VAL 34 15.057 3.334 -3.742 238 2HG1 VAL 34 2HG1 VAL 34 15.225 2.726 -5.389 239 3HG1 VAL 34 3HG1 VAL 34 16.541 2.517 -4.233 240 1HG2 VAL 34 1HG2 VAL 34 13.025 1.997 -4.635 241 2HG2 VAL 34 2HG2 VAL 34 12.886 0.479 -3.750 242 3HG2 VAL 34 3HG2 VAL 34 13.519 0.485 -5.394 243 H SER 35 H SER 35 15.946 -0.332 -1.908 244 HA SER 35 HA SER 35 18.344 0.808 -1.206 245 1HB SER 35 2HB SER 35 17.348 -1.770 -0.007 246 2HB SER 35 1HB SER 35 18.306 -0.516 0.776 247 HG SER 35 HG SER 35 16.525 0.859 0.664 248 H GLY 36 H GLY 36 17.827 -2.543 -2.280 249 1HA GLY 36 2HA GLY 36 20.453 -3.457 -2.026 250 2HA GLY 36 1HA GLY 36 19.275 -4.086 -3.170 251 H VAL 37 H VAL 37 18.882 -1.883 -4.802 252 HA VAL 37 HA VAL 37 21.275 -1.988 -6.405 253 HB VAL 37 HB VAL 37 20.037 -0.613 -8.014 254 1HG1 VAL 37 1HG1 VAL 37 18.303 -2.828 -6.937 255 2HG1 VAL 37 2HG1 VAL 37 19.734 -3.070 -7.932 256 3HG1 VAL 37 3HG1 VAL 37 18.342 -2.212 -8.586 257 1HG2 VAL 37 1HG2 VAL 37 18.826 0.773 -6.353 258 2HG2 VAL 37 2HG2 VAL 37 17.781 -0.607 -6.010 259 3HG2 VAL 37 3HG2 VAL 37 17.777 0.124 -7.614 260 H ALA 38 H ALA 38 19.826 0.217 -4.147 261 HA ALA 38 HA ALA 38 21.179 2.572 -5.000 262 1HB ALA 38 1HB ALA 38 20.487 3.435 -2.759 263 2HB ALA 38 2HB ALA 38 19.835 1.834 -2.412 264 3HB ALA 38 3HB ALA 38 19.173 2.785 -3.739 265 H SER 39 H SER 39 22.085 -0.128 -3.017 266 HA SER 39 HA SER 39 24.084 1.035 -1.447 267 1HB SER 39 2HB SER 39 24.463 -1.734 -2.502 268 2HB SER 39 1HB SER 39 24.690 -1.115 -0.867 269 HG SER 39 HG SER 39 22.489 -2.222 -2.007 270 H GLY 40 H GLY 40 24.072 0.150 -4.814 271 1HA GLY 40 2HA GLY 40 26.933 0.916 -4.976 272 2HA GLY 40 1HA GLY 40 26.211 -0.318 -5.995 273 H ALA 41 H ALA 41 23.847 0.915 -6.744 274 HA ALA 41 HA ALA 41 24.033 3.558 -7.612 275 1HB ALA 41 1HB ALA 41 24.566 3.268 -9.984 276 2HB ALA 41 2HB ALA 41 24.950 1.573 -9.681 277 3HB ALA 41 3HB ALA 41 25.923 2.844 -8.943 278 H GLY 42 H GLY 42 21.905 3.264 -6.927 279 1HA GLY 42 2HA GLY 42 20.113 1.513 -8.357 280 2HA GLY 42 1HA GLY 42 19.678 2.638 -7.085 281 H SER 43 H SER 43 21.222 4.724 -8.836 282 HA SER 43 HA SER 43 18.895 5.806 -10.030 283 1HB SER 43 2HB SER 43 21.809 6.531 -10.086 284 2HB SER 43 1HB SER 43 20.674 7.349 -11.160 285 HG SER 43 HG SER 43 21.017 7.591 -8.450 286 H ILE 44 H ILE 44 21.918 5.127 -11.752 287 HA ILE 44 HA ILE 44 22.342 4.200 -13.780 288 HB ILE 44 HB ILE 44 19.599 2.982 -13.741 289 1HG1 ILE 44 2HG1 ILE 44 22.125 1.888 -12.477 290 2HG1 ILE 44 1HG1 ILE 44 20.751 2.542 -11.589 291 1HG2 ILE 44 1HG2 ILE 44 21.058 1.133 -14.880 292 2HG2 ILE 44 2HG2 ILE 44 22.151 2.480 -15.198 293 3HG2 ILE 44 3HG2 ILE 44 20.497 2.524 -15.806 294 1HD1 ILE 44 1HD1 ILE 44 21.158 -0.090 -12.271 295 2HD1 ILE 44 2HD1 ILE 44 19.968 0.464 -13.449 296 3HD1 ILE 44 3HD1 ILE 44 19.642 0.626 -11.723 297 H GLY 45 H GLY 45 20.460 6.684 -13.359 298 1HA GLY 45 2HA GLY 45 19.466 8.231 -14.727 299 2HA GLY 45 1HA GLY 45 20.482 7.562 -15.991 300 H ARG 46 H ARG 46 18.371 5.282 -14.576 301 HA ARG 46 HA ARG 46 16.535 5.578 -16.879 302 1HB ARG 46 2HB ARG 46 18.090 3.514 -16.713 303 2HB ARG 46 1HB ARG 46 16.993 2.977 -15.447 304 1HG ARG 46 2HG ARG 46 15.784 3.830 -18.011 305 2HG ARG 46 1HG ARG 46 16.678 2.308 -17.998 306 1HD ARG 46 2HD ARG 46 14.575 2.937 -15.949 307 2HD ARG 46 1HD ARG 46 14.173 2.213 -17.505 308 HE ARG 46 HE ARG 46 16.242 0.824 -16.066 309 1HH1 ARG 46 1HH1 ARG 46 12.798 1.148 -16.541 310 2HH1 ARG 46 2HH1 ARG 46 12.445 -0.455 -15.987 311 1HH2 ARG 46 1HH2 ARG 46 15.778 -1.283 -15.338 312 2HH2 ARG 46 2HH2 ARG 46 14.137 -1.835 -15.303 313 H ARG 47 H ARG 47 14.506 6.057 -16.405 314 HA ARG 47 HA ARG 47 13.198 4.939 -14.075 315 1HB ARG 47 2HB ARG 47 13.688 7.896 -14.381 316 2HB ARG 47 1HB ARG 47 12.373 7.262 -13.403 317 1HG ARG 47 2HG ARG 47 13.867 7.346 -11.743 318 2HG ARG 47 1HG ARG 47 14.462 5.837 -12.433 319 1HD ARG 47 2HD ARG 47 16.367 6.774 -13.137 320 2HD ARG 47 1HD ARG 47 15.548 8.226 -13.714 321 HE ARG 47 HE ARG 47 16.935 7.930 -11.265 322 1HH1 ARG 47 1HH1 ARG 47 14.099 9.432 -12.637 323 2HH1 ARG 47 2HH1 ARG 47 14.070 10.721 -11.482 324 1HH2 ARG 47 1HH2 ARG 47 16.898 9.625 -9.745 325 2HH2 ARG 47 2HH2 ARG 47 15.660 10.832 -9.841 326 HA PRO 48 HA PRO 48 10.312 5.189 -17.593 327 1HB PRO 48 2HB PRO 48 8.739 3.134 -16.785 328 2HB PRO 48 1HB PRO 48 10.264 2.886 -17.646 329 1HG PRO 48 2HG PRO 48 9.696 2.713 -14.712 330 2HG PRO 48 1HG PRO 48 10.670 1.634 -15.727 331 1HD PRO 48 2HD PRO 48 11.768 3.535 -14.136 332 2HD PRO 48 1HD PRO 48 12.500 3.033 -15.676 Start of MODEL 4 1 H VAL 1 H VAL 1 -11.494 1.219 -20.152 2 HA VAL 1 HA VAL 1 -12.196 -1.060 -20.852 3 HB VAL 1 HB VAL 1 -11.488 -0.813 -18.536 4 1HG1 VAL 1 1HG1 VAL 1 -14.373 0.044 -18.042 5 2HG1 VAL 1 2HG1 VAL 1 -13.158 -0.254 -16.775 6 3HG1 VAL 1 3HG1 VAL 1 -12.933 1.085 -17.926 7 1HG2 VAL 1 1HG2 VAL 1 -14.007 -2.429 -19.035 8 2HG2 VAL 1 2HG2 VAL 1 -12.321 -2.994 -18.964 9 3HG2 VAL 1 3HG2 VAL 1 -13.155 -2.493 -17.473 10 H ASN 2 H ASN 2 -14.430 -2.149 -19.260 11 HA ASN 2 HA ASN 2 -16.828 -1.005 -20.300 12 1HB ASN 2 2HB ASN 2 -15.712 -2.356 -22.225 13 2HB ASN 2 1HB ASN 2 -16.249 -3.766 -21.318 14 1HD2 ASN 2 1HD2 ASN 2 -18.122 -4.549 -21.915 15 2HD2 ASN 2 2HD2 ASN 2 -19.422 -3.662 -22.628 16 H TYR 3 H TYR 3 -15.610 -1.879 -17.798 17 HA TYR 3 HA TYR 3 -16.989 -4.256 -16.911 18 1HB TYR 3 2HB TYR 3 -15.661 -2.237 -15.114 19 2HB TYR 3 1HB TYR 3 -15.832 -3.972 -14.886 20 HD1 TYR 3 1HD TYR 3 -14.336 -5.535 -16.045 21 HD2 TYR 3 2HD TYR 3 -13.867 -1.332 -16.483 22 HE1 TYR 3 1HE TYR 3 -12.091 -5.887 -16.967 23 HE2 TYR 3 2HE TYR 3 -11.620 -1.678 -17.414 24 HH TYR 3 HH TYR 3 -10.474 -4.768 -18.346 25 H GLY 4 H GLY 4 -17.148 -0.781 -16.074 26 1HA GLY 4 2HA GLY 4 -19.110 0.470 -15.711 27 2HA GLY 4 1HA GLY 4 -20.023 -1.029 -15.631 28 H ASN 5 H ASN 5 -17.209 -1.116 -13.702 29 HA ASN 5 HA ASN 5 -18.329 0.127 -11.371 30 1HB ASN 5 2HB ASN 5 -19.405 -2.265 -11.769 31 2HB ASN 5 1HB ASN 5 -17.924 -2.796 -10.978 32 1HD2 ASN 5 1HD2 ASN 5 -20.553 -0.442 -10.625 33 2HD2 ASN 5 2HD2 ASN 5 -20.658 -0.563 -8.905 34 H GLY 6 H GLY 6 -15.917 0.395 -12.779 35 1HA GLY 6 2HA GLY 6 -13.917 0.925 -11.279 36 2HA GLY 6 1HA GLY 6 -13.939 -0.803 -10.941 37 H VAL 7 H VAL 7 -13.266 1.636 -13.343 38 HA VAL 7 HA VAL 7 -12.369 -0.319 -15.292 39 HB VAL 7 HB VAL 7 -11.759 1.682 -16.649 40 1HG1 VAL 7 1HG1 VAL 7 -14.524 2.289 -15.887 41 2HG1 VAL 7 2HG1 VAL 7 -14.206 0.591 -16.236 42 3HG1 VAL 7 3HG1 VAL 7 -13.851 1.825 -17.448 43 1HG2 VAL 7 1HG2 VAL 7 -11.496 3.062 -14.430 44 2HG2 VAL 7 2HG2 VAL 7 -13.209 3.404 -14.684 45 3HG2 VAL 7 3HG2 VAL 7 -12.028 3.851 -15.914 46 H SER 8 H SER 8 -11.032 1.737 -12.834 47 HA SER 8 HA SER 8 -8.289 1.309 -13.803 48 1HB SER 8 2HB SER 8 -9.604 3.199 -11.931 49 2HB SER 8 1HB SER 8 -7.944 2.739 -11.553 50 HG SER 8 HG SER 8 -7.328 3.454 -13.608 51 H CYS 9 H CYS 9 -8.571 -1.031 -13.362 52 HA CYS 9 HA CYS 9 -7.217 -1.793 -11.040 53 1HB CYS 9 2HB CYS 9 -10.135 -1.738 -10.793 54 2HB CYS 9 1HB CYS 9 -9.420 -3.287 -10.380 55 H SER 10 H SER 10 -6.251 -3.684 -11.409 56 HA SER 10 HA SER 10 -6.829 -5.060 -13.854 57 1HB SER 10 2HB SER 10 -4.725 -5.204 -11.758 58 2HB SER 10 1HB SER 10 -4.990 -6.654 -12.727 59 HG SER 10 HG SER 10 -3.503 -5.439 -13.817 60 H LYS 11 H LYS 11 -8.997 -5.673 -13.350 61 HA LYS 11 HA LYS 11 -10.656 -7.044 -12.628 62 1HB LYS 11 2HB LYS 11 -8.468 -9.104 -12.556 63 2HB LYS 11 1HB LYS 11 -10.179 -9.387 -12.843 64 1HG LYS 11 2HG LYS 11 -8.581 -7.638 -14.687 65 2HG LYS 11 1HG LYS 11 -8.560 -9.393 -14.855 66 1HD LYS 11 2HD LYS 11 -11.252 -8.390 -14.559 67 2HD LYS 11 1HD LYS 11 -10.422 -7.615 -15.910 68 1HE LYS 11 2HE LYS 11 -10.481 -10.596 -15.495 69 2HE LYS 11 1HE LYS 11 -11.676 -9.731 -16.462 70 1HZ LYS 11 1HZ LYS 11 -9.966 -8.998 -17.941 71 2HZ LYS 11 2HZ LYS 11 -9.829 -10.675 -17.774 72 3HZ LYS 11 3HZ LYS 11 -8.750 -9.655 -16.964 73 H THR 12 H THR 12 -8.882 -5.773 -10.481 74 HA THR 12 HA THR 12 -9.253 -7.659 -8.327 75 HB THR 12 HB THR 12 -8.052 -5.851 -6.966 76 HG1 THR 12 1HG THR 12 -8.447 -4.180 -8.493 77 1HG2 THR 12 1HG2 THR 12 -5.929 -6.559 -7.587 78 2HG2 THR 12 2HG2 THR 12 -6.385 -6.756 -9.283 79 3HG2 THR 12 3HG2 THR 12 -6.970 -7.894 -8.080 80 H LYS 13 H LYS 13 -10.759 -4.818 -9.521 81 HA LYS 13 HA LYS 13 -12.780 -3.884 -8.981 82 1HB LYS 13 2HB LYS 13 -12.869 -5.469 -6.424 83 2HB LYS 13 1HB LYS 13 -14.202 -4.724 -7.289 84 1HG LYS 13 2HG LYS 13 -13.201 -6.465 -9.149 85 2HG LYS 13 1HG LYS 13 -12.970 -7.341 -7.635 86 1HD LYS 13 2HD LYS 13 -15.219 -7.505 -7.227 87 2HD LYS 13 1HD LYS 13 -15.592 -6.005 -8.082 88 1HE LYS 13 2HE LYS 13 -16.356 -7.362 -9.699 89 2HE LYS 13 1HE LYS 13 -14.651 -7.565 -10.103 90 1HZ LYS 13 1HZ LYS 13 -14.648 -9.500 -8.554 91 2HZ LYS 13 2HZ LYS 13 -15.608 -9.710 -9.932 92 3HZ LYS 13 3HZ LYS 13 -16.331 -9.358 -8.444 93 H CYS 14 H CYS 14 -9.953 -3.729 -7.219 94 HA CYS 14 HA CYS 14 -9.019 -2.043 -5.986 95 1HB CYS 14 2HB CYS 14 -11.607 -0.557 -6.257 96 2HB CYS 14 1HB CYS 14 -9.999 0.130 -6.019 97 H SER 15 H SER 15 -12.463 -1.719 -5.113 98 HA SER 15 HA SER 15 -12.039 -1.408 -2.375 99 1HB SER 15 2HB SER 15 -14.526 -2.678 -3.508 100 2HB SER 15 1HB SER 15 -14.377 -1.618 -2.107 101 HG SER 15 HG SER 15 -14.517 -0.991 -4.802 102 H VAL 16 H VAL 16 -13.616 -3.212 -1.044 103 HA VAL 16 HA VAL 16 -13.760 -5.322 -0.190 104 HB VAL 16 HB VAL 16 -11.836 -6.315 -2.301 105 1HG1 VAL 16 1HG1 VAL 16 -13.976 -7.882 -0.920 106 2HG1 VAL 16 2HG1 VAL 16 -12.391 -7.652 -0.181 107 3HG1 VAL 16 3HG1 VAL 16 -12.526 -8.454 -1.743 108 1HG2 VAL 16 1HG2 VAL 16 -13.730 -6.926 -3.650 109 2HG2 VAL 16 2HG2 VAL 16 -13.812 -5.195 -3.322 110 3HG2 VAL 16 3HG2 VAL 16 -14.848 -6.311 -2.433 111 H ASN 17 H ASN 17 -10.432 -5.205 -1.443 112 HA ASN 17 HA ASN 17 -9.133 -4.373 0.840 113 1HB ASN 17 2HB ASN 17 -8.250 -6.668 1.628 114 2HB ASN 17 1HB ASN 17 -9.864 -6.193 2.145 115 1HD2 ASN 17 1HD2 ASN 17 -11.015 -7.981 2.257 116 2HD2 ASN 17 2HD2 ASN 17 -11.127 -9.193 1.031 117 H TRP 18 H TRP 18 -9.108 -6.541 -1.907 118 HA TRP 18 HA TRP 18 -6.551 -7.236 -2.326 119 1HB TRP 18 2HB TRP 18 -8.772 -7.188 -3.905 120 2HB TRP 18 1HB TRP 18 -7.755 -6.017 -4.742 121 HD1 TRP 18 HD TRP 18 -4.985 -7.218 -4.745 122 HE1 TRP 18 1HE TRP 18 -4.434 -9.485 -5.809 123 HE3 TRP 18 3HE TRP 18 -9.653 -9.263 -4.784 124 HZ2 TRP 18 2HZ TRP 18 -5.793 -11.823 -6.576 125 HZ3 TRP 18 3HZ TRP 18 -9.946 -11.519 -5.702 126 HH2 TRP 18 HH TRP 18 -8.053 -12.776 -6.580 127 H GLY 19 H GLY 19 -7.790 -3.939 -2.640 128 1HA GLY 19 2HA GLY 19 -5.534 -2.836 -3.967 129 2HA GLY 19 1HA GLY 19 -6.730 -1.936 -3.049 130 H GLN 20 H GLN 20 -6.370 -3.008 -0.516 131 HA GLN 20 HA GLN 20 -4.203 -1.492 0.423 132 1HB GLN 20 2HB GLN 20 -6.261 -2.106 1.718 133 2HB GLN 20 1HB GLN 20 -5.611 -3.732 1.888 134 1HG GLN 20 2HG GLN 20 -3.570 -2.594 2.940 135 2HG GLN 20 1HG GLN 20 -4.608 -1.175 3.076 136 1HE2 GLN 20 1HE2 GLN 20 -4.950 -4.670 3.615 137 2HE2 GLN 20 2HE2 GLN 20 -5.663 -4.533 5.182 138 H ALA 21 H ALA 21 -4.535 -4.937 -0.234 139 HA ALA 21 HA ALA 21 -2.065 -5.739 0.915 140 1HB ALA 21 1HB ALA 21 -4.164 -7.125 0.174 141 2HB ALA 21 2HB ALA 21 -2.553 -7.839 0.142 142 3HB ALA 21 3HB ALA 21 -3.283 -7.245 -1.349 143 H PHE 22 H PHE 22 -2.982 -5.112 -2.483 144 HA PHE 22 HA PHE 22 -0.572 -5.733 -3.636 145 1HB PHE 22 2HB PHE 22 -2.646 -5.092 -4.916 146 2HB PHE 22 1HB PHE 22 -2.274 -3.407 -4.559 147 HD1 PHE 22 1HD PHE 22 -0.125 -6.248 -5.624 148 HD2 PHE 22 2HD PHE 22 -1.607 -2.394 -6.485 149 HE1 PHE 22 1HE PHE 22 1.382 -6.090 -7.528 150 HE2 PHE 22 2HE PHE 22 -0.122 -2.240 -8.392 151 HZ PHE 22 HZ PHE 22 1.386 -4.082 -8.934 152 H GLN 23 H GLN 23 -1.496 -2.584 -2.192 153 HA GLN 23 HA GLN 23 0.799 -1.229 -3.095 154 1HB GLN 23 2HB GLN 23 -1.356 -0.213 -2.116 155 2HB GLN 23 1HB GLN 23 -0.663 -0.544 -0.538 156 1HG GLN 23 2HG GLN 23 1.264 0.835 -2.129 157 2HG GLN 23 1HG GLN 23 -0.268 1.702 -2.189 158 1HE2 GLN 23 1HE2 GLN 23 2.285 2.415 -0.917 159 2HE2 GLN 23 2HE2 GLN 23 1.918 2.694 0.749 160 H GLU 24 H GLU 24 0.144 -2.971 -0.088 161 HA GLU 24 HA GLU 24 2.637 -2.342 1.136 162 1HB GLU 24 2HB GLU 24 0.397 -3.265 2.164 163 2HB GLU 24 1HB GLU 24 1.105 -4.831 1.791 164 1HG GLU 24 2HG GLU 24 2.417 -2.720 3.483 165 2HG GLU 24 1HG GLU 24 1.507 -4.093 4.108 166 H ARG 25 H ARG 25 1.512 -4.788 -1.050 167 HA ARG 25 HA ARG 25 3.779 -6.518 -0.753 168 1HB ARG 25 2HB ARG 25 1.203 -6.757 -1.746 169 2HB ARG 25 1HB ARG 25 2.193 -6.807 -3.200 170 1HG ARG 25 2HG ARG 25 3.597 -8.547 -1.901 171 2HG ARG 25 1HG ARG 25 2.180 -8.670 -0.860 172 1HD ARG 25 2HD ARG 25 0.872 -9.584 -2.520 173 2HD ARG 25 1HD ARG 25 1.823 -8.861 -3.816 174 HE ARG 25 HE ARG 25 3.492 -10.670 -2.576 175 1HH1 ARG 25 1HH1 ARG 25 0.422 -10.790 -4.229 176 2HH1 ARG 25 2HH1 ARG 25 0.656 -12.404 -4.811 177 1HH2 ARG 25 1HH2 ARG 25 3.800 -12.798 -3.343 178 2HH2 ARG 25 2HH2 ARG 25 2.570 -13.545 -4.308 179 H TYR 26 H TYR 26 2.559 -4.440 -3.367 180 HA TYR 26 HA TYR 26 4.854 -4.780 -5.025 181 1HB TYR 26 2HB TYR 26 3.592 -3.755 -6.551 182 2HB TYR 26 1HB TYR 26 2.339 -4.024 -5.363 183 HD1 TYR 26 1HD TYR 26 0.957 -2.215 -4.811 184 HD2 TYR 26 2HD TYR 26 4.801 -1.381 -6.310 185 HE1 TYR 26 1HE TYR 26 0.320 0.073 -4.964 186 HE2 TYR 26 2HE TYR 26 4.202 0.991 -6.371 187 HH TYR 26 HH TYR 26 2.004 2.326 -6.629 188 H THR 27 H THR 27 3.703 -1.893 -3.225 189 HA THR 27 HA THR 27 5.904 -0.294 -3.805 190 HB THR 27 HB THR 27 4.516 -0.153 -1.146 191 HG1 THR 27 1HG THR 27 3.415 1.031 -3.436 192 1HG2 THR 27 1HG2 THR 27 4.526 2.332 -1.943 193 2HG2 THR 27 2HG2 THR 27 5.838 1.772 -2.985 194 3HG2 THR 27 3HG2 THR 27 5.969 1.606 -1.233 195 H ALA 28 H ALA 28 5.538 -2.821 -1.422 196 HA ALA 28 HA ALA 28 7.912 -2.160 0.014 197 1HB ALA 28 1HB ALA 28 7.670 -4.382 1.040 198 2HB ALA 28 2HB ALA 28 6.397 -4.771 -0.117 199 3HB ALA 28 3HB ALA 28 6.153 -3.485 1.064 200 H GLY 29 H GLY 29 7.167 -4.128 -2.787 201 1HA GLY 29 2HA GLY 29 9.796 -5.353 -2.871 202 2HA GLY 29 1HA GLY 29 8.521 -5.520 -4.067 203 H ILE 30 H ILE 30 8.072 -2.831 -4.699 204 HA ILE 30 HA ILE 30 10.164 -2.403 -6.572 205 HB ILE 30 HB ILE 30 7.828 -1.739 -6.999 206 1HG1 ILE 30 2HG1 ILE 30 8.433 0.696 -7.751 207 2HG1 ILE 30 1HG1 ILE 30 10.047 0.267 -7.194 208 1HG2 ILE 30 1HG2 ILE 30 8.101 0.746 -5.418 209 2HG2 ILE 30 2HG2 ILE 30 7.741 -0.737 -4.534 210 3HG2 ILE 30 3HG2 ILE 30 6.666 -0.194 -5.822 211 1HD1 ILE 30 1HD1 ILE 30 10.193 -1.512 -8.769 212 2HD1 ILE 30 2HD1 ILE 30 9.651 -0.070 -9.627 213 3HD1 ILE 30 3HD1 ILE 30 8.495 -1.334 -9.209 214 H ASN 31 H ASN 31 9.372 -0.982 -3.444 215 HA ASN 31 HA ASN 31 11.389 1.061 -3.634 216 1HB ASN 31 2HB ASN 31 9.205 1.008 -2.164 217 2HB ASN 31 1HB ASN 31 10.238 0.155 -1.014 218 1HD2 ASN 31 1HD2 ASN 31 9.011 2.689 -0.640 219 2HD2 ASN 31 2HD2 ASN 31 10.273 3.854 -0.442 220 H SER 32 H SER 32 11.089 -2.143 -2.201 221 HA SER 32 HA SER 32 13.542 -2.095 -0.793 222 1HB SER 32 2HB SER 32 11.803 -3.729 -0.236 223 2HB SER 32 1HB SER 32 11.956 -4.466 -1.836 224 HG SER 32 HG SER 32 13.197 -5.695 -0.542 225 H PHE 33 H PHE 33 12.703 -2.814 -4.099 226 HA PHE 33 HA PHE 33 15.008 -4.220 -4.867 227 1HB PHE 33 2HB PHE 33 13.703 -4.314 -6.694 228 2HB PHE 33 1HB PHE 33 12.754 -2.942 -6.152 229 HD1 PHE 33 1HD PHE 33 16.029 -3.687 -7.783 230 HD2 PHE 33 2HD PHE 33 12.731 -1.042 -7.442 231 HE1 PHE 33 1HE PHE 33 16.909 -2.337 -9.640 232 HE2 PHE 33 2HE PHE 33 13.608 0.313 -9.275 233 HZ PHE 33 HZ PHE 33 15.698 -0.329 -10.386 234 H VAL 34 H VAL 34 14.298 -0.776 -4.644 235 HA VAL 34 HA VAL 34 16.737 0.169 -5.768 236 HB VAL 34 HB VAL 34 15.181 1.675 -3.692 237 1HG1 VAL 34 1HG1 VAL 34 16.767 2.453 -6.129 238 2HG1 VAL 34 2HG1 VAL 34 17.178 2.738 -4.437 239 3HG1 VAL 34 3HG1 VAL 34 15.811 3.580 -5.165 240 1HG2 VAL 34 1HG2 VAL 34 13.344 1.178 -4.947 241 2HG2 VAL 34 2HG2 VAL 34 14.283 0.843 -6.394 242 3HG2 VAL 34 3HG2 VAL 34 13.969 2.508 -5.923 243 H SER 35 H SER 35 15.723 0.178 -2.368 244 HA SER 35 HA SER 35 18.198 0.853 -1.311 245 1HB SER 35 2HB SER 35 16.387 -1.036 0.152 246 2HB SER 35 1HB SER 35 17.345 0.300 0.787 247 HG SER 35 HG SER 35 15.198 0.924 0.735 248 H GLY 36 H GLY 36 16.927 -2.271 -2.293 249 1HA GLY 36 2HA GLY 36 18.923 -3.897 -1.121 250 2HA GLY 36 1HA GLY 36 17.936 -4.328 -2.513 251 H VAL 37 H VAL 37 18.661 -2.412 -4.336 252 HA VAL 37 HA VAL 37 21.222 -3.401 -5.197 253 HB VAL 37 HB VAL 37 20.909 -2.007 -7.173 254 1HG1 VAL 37 1HG1 VAL 37 19.493 -3.476 -8.062 255 2HG1 VAL 37 2HG1 VAL 37 18.164 -2.938 -7.038 256 3HG1 VAL 37 3HG1 VAL 37 19.313 -4.135 -6.436 257 1HG2 VAL 37 1HG2 VAL 37 19.103 -0.488 -7.461 258 2HG2 VAL 37 2HG2 VAL 37 19.886 -0.078 -5.936 259 3HG2 VAL 37 3HG2 VAL 37 18.367 -0.973 -5.935 260 H ALA 38 H ALA 38 19.979 -0.576 -3.595 261 HA ALA 38 HA ALA 38 22.311 1.049 -4.062 262 1HB ALA 38 1HB ALA 38 20.125 1.477 -2.037 263 2HB ALA 38 2HB ALA 38 20.005 1.947 -3.731 264 3HB ALA 38 3HB ALA 38 21.229 2.683 -2.698 265 H SER 39 H SER 39 21.346 -1.322 -1.750 266 HA SER 39 HA SER 39 23.177 -0.466 0.309 267 1HB SER 39 2HB SER 39 21.266 -1.602 1.117 268 2HB SER 39 1HB SER 39 21.453 -2.916 -0.044 269 HG SER 39 HG SER 39 22.266 -3.734 1.792 270 H GLY 40 H GLY 40 23.100 -3.052 -2.125 271 1HA GLY 40 2HA GLY 40 25.919 -3.063 -2.418 272 2HA GLY 40 1HA GLY 40 25.421 -4.405 -1.396 273 H ALA 41 H ALA 41 23.016 -5.089 -2.620 274 HA ALA 41 HA ALA 41 22.048 -6.053 -4.453 275 1HB ALA 41 1HB ALA 41 22.743 -5.651 -6.608 276 2HB ALA 41 2HB ALA 41 24.449 -5.593 -6.165 277 3HB ALA 41 3HB ALA 41 23.383 -4.250 -5.750 278 H GLY 42 H GLY 42 24.954 -6.952 -3.021 279 1HA GLY 42 2HA GLY 42 25.702 -9.100 -2.554 280 2HA GLY 42 1HA GLY 42 24.438 -9.729 -3.597 281 H SER 43 H SER 43 26.720 -7.333 -4.720 282 HA SER 43 HA SER 43 27.827 -9.346 -6.562 283 1HB SER 43 2HB SER 43 27.936 -6.329 -6.792 284 2HB SER 43 1HB SER 43 28.423 -7.499 -8.017 285 HG SER 43 HG SER 43 26.424 -7.632 -8.620 286 H ILE 44 H ILE 44 28.989 -6.339 -5.045 287 HA ILE 44 HA ILE 44 31.265 -7.697 -3.891 288 HB ILE 44 HB ILE 44 32.027 -7.285 -6.204 289 1HG1 ILE 44 2HG1 ILE 44 33.651 -5.315 -4.735 290 2HG1 ILE 44 1HG1 ILE 44 33.388 -6.831 -3.880 291 1HG2 ILE 44 1HG2 ILE 44 32.064 -5.237 -7.230 292 2HG2 ILE 44 2HG2 ILE 44 32.067 -4.349 -5.706 293 3HG2 ILE 44 3HG2 ILE 44 30.581 -5.104 -6.284 294 1HD1 ILE 44 1HD1 ILE 44 35.177 -7.532 -5.010 295 2HD1 ILE 44 2HD1 ILE 44 35.043 -6.247 -6.209 296 3HD1 ILE 44 3HD1 ILE 44 34.065 -7.705 -6.367 297 H GLY 45 H GLY 45 29.008 -6.213 -2.927 298 1HA GLY 45 2HA GLY 45 30.332 -3.815 -1.777 299 2HA GLY 45 1HA GLY 45 28.596 -3.979 -2.016 300 H ARG 46 H ARG 46 30.524 -6.626 -0.815 301 HA ARG 46 HA ARG 46 30.251 -6.109 1.932 302 1HB ARG 46 2HB ARG 46 27.822 -6.624 1.024 303 2HB ARG 46 1HB ARG 46 28.364 -8.287 1.177 304 1HG ARG 46 2HG ARG 46 27.813 -8.217 3.313 305 2HG ARG 46 1HG ARG 46 29.085 -7.021 3.569 306 1HD ARG 46 2HD ARG 46 26.497 -6.062 2.472 307 2HD ARG 46 1HD ARG 46 26.534 -6.546 4.167 308 HE ARG 46 HE ARG 46 28.674 -4.906 3.942 309 1HH1 ARG 46 1HH1 ARG 46 25.304 -4.569 3.105 310 2HH1 ARG 46 2HH1 ARG 46 25.284 -2.857 3.360 311 1HH2 ARG 46 1HH2 ARG 46 28.650 -2.654 4.276 312 2HH2 ARG 46 2HH2 ARG 46 27.182 -1.768 4.024 313 H ARG 47 H ARG 47 32.255 -7.045 0.219 314 HA ARG 47 HA ARG 47 33.754 -8.723 -0.154 315 1HB ARG 47 2HB ARG 47 34.486 -9.845 1.987 316 2HB ARG 47 1HB ARG 47 34.494 -8.089 2.008 317 1HG ARG 47 2HG ARG 47 32.457 -8.041 3.282 318 2HG ARG 47 1HG ARG 47 32.278 -9.789 3.138 319 1HD ARG 47 2HD ARG 47 34.547 -9.923 4.313 320 2HD ARG 47 1HD ARG 47 34.301 -8.223 4.706 321 HE ARG 47 HE ARG 47 32.700 -8.828 6.238 322 1HH1 ARG 47 1HH1 ARG 47 33.493 -11.581 4.248 323 2HH1 ARG 47 2HH1 ARG 47 32.624 -12.705 5.236 324 1HH2 ARG 47 1HH2 ARG 47 31.552 -10.308 7.542 325 2HH2 ARG 47 2HH2 ARG 47 31.522 -11.983 7.105 326 HA PRO 48 HA PRO 48 30.835 -12.228 -0.688 327 1HB PRO 48 2HB PRO 48 31.506 -12.800 -3.234 328 2HB PRO 48 1HB PRO 48 30.365 -11.509 -2.836 329 1HG PRO 48 2HG PRO 48 33.276 -11.324 -3.516 330 2HG PRO 48 1HG PRO 48 31.932 -10.308 -4.069 331 1HD PRO 48 2HD PRO 48 33.634 -9.576 -2.066 332 2HD PRO 48 1HD PRO 48 31.944 -9.037 -2.152 Start of MODEL 5 1 H VAL 1 H VAL 1 -9.942 -12.383 10.434 2 HA VAL 1 HA VAL 1 -10.195 -9.946 10.846 3 HB VAL 1 HB VAL 1 -11.580 -11.789 12.832 4 1HG1 VAL 1 1HG1 VAL 1 -12.967 -10.041 13.457 5 2HG1 VAL 1 2HG1 VAL 1 -11.453 -9.141 13.198 6 3HG1 VAL 1 3HG1 VAL 1 -12.709 -9.152 11.937 7 1HG2 VAL 1 1HG2 VAL 1 -13.054 -12.251 11.156 8 2HG2 VAL 1 2HG2 VAL 1 -13.019 -10.582 10.538 9 3HG2 VAL 1 3HG2 VAL 1 -11.734 -11.727 10.084 10 H ASN 2 H ASN 2 -10.642 -10.862 14.144 11 HA ASN 2 HA ASN 2 -9.648 -10.265 16.082 12 1HB ASN 2 2HB ASN 2 -7.507 -10.943 14.524 13 2HB ASN 2 1HB ASN 2 -7.106 -9.289 14.984 14 1HD2 ASN 2 1HD2 ASN 2 -6.571 -8.830 17.066 15 2HD2 ASN 2 2HD2 ASN 2 -6.348 -10.034 18.284 16 H TYR 3 H TYR 3 -8.162 -7.989 13.783 17 HA TYR 3 HA TYR 3 -8.770 -5.790 15.554 18 1HB TYR 3 2HB TYR 3 -7.591 -4.399 13.940 19 2HB TYR 3 1HB TYR 3 -6.663 -5.859 14.251 20 HD1 TYR 3 1HD TYR 3 -6.042 -7.290 12.485 21 HD2 TYR 3 2HD TYR 3 -8.935 -4.251 11.804 22 HE1 TYR 3 1HE TYR 3 -5.943 -7.742 10.070 23 HE2 TYR 3 2HE TYR 3 -8.847 -4.695 9.392 24 HH TYR 3 HH TYR 3 -8.229 -6.542 7.880 25 H GLY 4 H GLY 4 -9.565 -3.711 14.209 26 1HA GLY 4 2HA GLY 4 -11.205 -3.007 12.510 27 2HA GLY 4 1HA GLY 4 -12.072 -4.506 12.841 28 H ASN 5 H ASN 5 -10.792 -1.718 14.659 29 HA ASN 5 HA ASN 5 -13.384 -1.097 15.708 30 1HB ASN 5 2HB ASN 5 -11.770 -2.955 17.141 31 2HB ASN 5 1HB ASN 5 -11.808 -1.456 18.063 32 1HD2 ASN 5 1HD2 ASN 5 -13.239 -1.670 19.606 33 2HD2 ASN 5 2HD2 ASN 5 -14.835 -2.308 19.436 34 H GLY 6 H GLY 6 -9.871 -0.650 16.049 35 1HA GLY 6 2HA GLY 6 -10.183 2.214 15.822 36 2HA GLY 6 1HA GLY 6 -9.681 1.687 17.424 37 H VAL 7 H VAL 7 -8.805 0.777 14.081 38 HA VAL 7 HA VAL 7 -6.007 0.657 14.862 39 HB VAL 7 HB VAL 7 -5.646 -0.136 12.517 40 1HG1 VAL 7 1HG1 VAL 7 -7.488 -1.533 14.417 41 2HG1 VAL 7 2HG1 VAL 7 -5.792 -1.859 14.059 42 3HG1 VAL 7 3HG1 VAL 7 -7.039 -2.289 12.889 43 1HG2 VAL 7 1HG2 VAL 7 -8.563 -0.557 12.198 44 2HG2 VAL 7 2HG2 VAL 7 -7.311 -0.317 10.980 45 3HG2 VAL 7 3HG2 VAL 7 -7.937 1.061 11.885 46 H SER 8 H SER 8 -7.536 3.269 14.565 47 HA SER 8 HA SER 8 -7.117 5.388 13.835 48 1HB SER 8 2HB SER 8 -4.430 4.385 12.902 49 2HB SER 8 1HB SER 8 -4.857 6.016 13.419 50 HG SER 8 HG SER 8 -5.310 4.994 15.524 51 H CYS 9 H CYS 9 -8.592 5.521 12.163 52 HA CYS 9 HA CYS 9 -8.103 4.385 9.594 53 1HB CYS 9 2HB CYS 9 -10.272 5.774 10.896 54 2HB CYS 9 1HB CYS 9 -9.988 6.467 9.302 55 H SER 10 H SER 10 -7.258 5.264 7.782 56 HA SER 10 HA SER 10 -5.826 7.786 8.119 57 1HB SER 10 2HB SER 10 -5.529 6.143 5.652 58 2HB SER 10 1HB SER 10 -4.310 7.031 6.564 59 HG SER 10 HG SER 10 -4.695 5.344 8.232 60 H LYS 11 H LYS 11 -8.808 7.378 7.446 61 HA LYS 11 HA LYS 11 -8.978 9.591 5.645 62 1HB LYS 11 2HB LYS 11 -8.804 7.181 4.364 63 2HB LYS 11 1HB LYS 11 -10.543 7.371 4.522 64 1HG LYS 11 2HG LYS 11 -9.788 9.836 3.640 65 2HG LYS 11 1HG LYS 11 -8.635 8.782 2.819 66 1HD LYS 11 2HD LYS 11 -11.626 8.404 2.796 67 2HD LYS 11 1HD LYS 11 -10.702 9.183 1.508 68 1HE LYS 11 2HE LYS 11 -9.316 6.975 1.553 69 2HE LYS 11 1HE LYS 11 -10.742 6.315 2.352 70 1HZ LYS 11 1HZ LYS 11 -11.266 5.913 0.189 71 2HZ LYS 11 2HZ LYS 11 -10.418 7.253 -0.401 72 3HZ LYS 11 3HZ LYS 11 -11.929 7.464 0.330 73 H THR 12 H THR 12 -11.405 9.926 5.027 74 HA THR 12 HA THR 12 -12.864 9.788 7.530 75 HB THR 12 HB THR 12 -14.473 11.304 6.367 76 HG1 THR 12 1HG THR 12 -14.305 11.594 4.308 77 1HG2 THR 12 1HG2 THR 12 -11.715 11.937 6.989 78 2HG2 THR 12 2HG2 THR 12 -13.191 12.841 7.326 79 3HG2 THR 12 3HG2 THR 12 -12.395 13.006 5.762 80 H LYS 13 H LYS 13 -12.537 7.362 5.800 81 HA LYS 13 HA LYS 13 -15.260 6.474 5.974 82 1HB LYS 13 2HB LYS 13 -14.689 7.593 3.589 83 2HB LYS 13 1HB LYS 13 -14.154 5.951 3.282 84 1HG LYS 13 2HG LYS 13 -16.400 5.138 3.923 85 2HG LYS 13 1HG LYS 13 -16.915 6.813 4.140 86 1HD LYS 13 2HD LYS 13 -15.908 6.971 1.655 87 2HD LYS 13 1HD LYS 13 -16.408 5.281 1.658 88 1HE LYS 13 2HE LYS 13 -18.661 6.113 2.505 89 2HE LYS 13 1HE LYS 13 -18.103 7.730 2.076 90 1HZ LYS 13 1HZ LYS 13 -18.035 7.189 -0.176 91 2HZ LYS 13 2HZ LYS 13 -19.456 6.446 0.362 92 3HZ LYS 13 3HZ LYS 13 -18.063 5.520 0.111 93 H CYS 14 H CYS 14 -12.383 5.447 4.112 94 HA CYS 14 HA CYS 14 -11.023 3.626 4.346 95 1HB CYS 14 2HB CYS 14 -12.517 3.132 6.923 96 2HB CYS 14 1HB CYS 14 -11.018 2.338 6.442 97 H SER 15 H SER 15 -12.598 3.217 2.516 98 HA SER 15 HA SER 15 -14.104 0.742 3.045 99 1HB SER 15 2HB SER 15 -14.702 2.999 1.132 100 2HB SER 15 1HB SER 15 -15.509 1.436 1.088 101 HG SER 15 HG SER 15 -16.335 1.825 3.124 102 H VAL 16 H VAL 16 -11.401 1.938 1.606 103 HA VAL 16 HA VAL 16 -11.493 0.505 -0.843 104 HB VAL 16 HB VAL 16 -9.060 1.628 0.547 105 1HG1 VAL 16 1HG1 VAL 16 -7.850 1.239 -1.335 106 2HG1 VAL 16 2HG1 VAL 16 -9.248 1.377 -2.401 107 3HG1 VAL 16 3HG1 VAL 16 -8.990 -0.098 -1.468 108 1HG2 VAL 16 1HG2 VAL 16 -10.190 3.565 0.223 109 2HG2 VAL 16 2HG2 VAL 16 -11.202 2.894 -1.056 110 3HG2 VAL 16 3HG2 VAL 16 -9.546 3.386 -1.407 111 H ASN 17 H ASN 17 -9.675 0.049 2.165 112 HA ASN 17 HA ASN 17 -8.842 -1.790 3.183 113 1HB ASN 17 2HB ASN 17 -10.702 -3.408 1.439 114 2HB ASN 17 1HB ASN 17 -10.023 -3.867 2.997 115 1HD2 ASN 17 1HD2 ASN 17 -12.337 -4.268 3.413 116 2HD2 ASN 17 2HD2 ASN 17 -13.292 -2.958 4.011 117 H TRP 18 H TRP 18 -9.391 -2.914 -0.175 118 HA TRP 18 HA TRP 18 -7.040 -4.482 -0.169 119 1HB TRP 18 2HB TRP 18 -7.499 -4.969 -2.450 120 2HB TRP 18 1HB TRP 18 -9.057 -4.825 -1.649 121 HD1 TRP 18 HD TRP 18 -6.734 -2.712 -3.913 122 HE1 TRP 18 1HE TRP 18 -8.218 -1.174 -5.346 123 HE3 TRP 18 3HE TRP 18 -11.290 -3.889 -1.936 124 HZ2 TRP 18 2HZ TRP 18 -10.950 -0.548 -5.605 125 HZ3 TRP 18 3HZ TRP 18 -13.288 -2.775 -2.832 126 HH2 TRP 18 HH TRP 18 -13.119 -1.140 -4.628 127 H GLY 19 H GLY 19 -7.460 -1.124 -0.556 128 1HA GLY 19 2HA GLY 19 -5.521 -0.382 -2.383 129 2HA GLY 19 1HA GLY 19 -5.935 0.543 -0.952 130 H GLN 20 H GLN 20 -4.997 -0.738 1.134 131 HA GLN 20 HA GLN 20 -2.207 -0.376 0.985 132 1HB GLN 20 2HB GLN 20 -2.137 -1.208 3.275 133 2HB GLN 20 1HB GLN 20 -3.465 -0.075 3.064 134 1HG GLN 20 2HG GLN 20 -5.056 -1.865 2.993 135 2HG GLN 20 1HG GLN 20 -3.765 -3.068 3.015 136 1HE2 GLN 20 1HE2 GLN 20 -4.749 -3.978 4.876 137 2HE2 GLN 20 2HE2 GLN 20 -4.538 -3.256 6.432 138 H ALA 21 H ALA 21 -4.199 -3.182 0.475 139 HA ALA 21 HA ALA 21 -2.316 -5.208 0.942 140 1HB ALA 21 1HB ALA 21 -4.693 -5.670 0.621 141 2HB ALA 21 2HB ALA 21 -3.713 -6.602 -0.510 142 3HB ALA 21 3HB ALA 21 -4.573 -5.168 -1.064 143 H PHE 22 H PHE 22 -3.322 -4.094 -2.296 144 HA PHE 22 HA PHE 22 -1.185 -5.257 -3.643 145 1HB PHE 22 2HB PHE 22 -3.213 -4.232 -4.753 146 2HB PHE 22 1HB PHE 22 -2.482 -2.648 -4.489 147 HD1 PHE 22 1HD PHE 22 -1.127 -5.920 -5.662 148 HD2 PHE 22 2HD PHE 22 -1.710 -1.790 -6.419 149 HE1 PHE 22 1HE PHE 22 0.240 -6.099 -7.681 150 HE2 PHE 22 2HE PHE 22 -0.361 -1.963 -8.443 151 HZ PHE 22 HZ PHE 22 0.619 -4.118 -9.094 152 H GLN 23 H GLN 23 -1.359 -2.075 -2.071 153 HA GLN 23 HA GLN 23 1.068 -1.127 -3.238 154 1HB GLN 23 2HB GLN 23 -0.640 -0.196 -0.946 155 2HB GLN 23 1HB GLN 23 0.933 0.526 -1.239 156 1HG GLN 23 2HG GLN 23 0.272 1.531 -3.183 157 2HG GLN 23 1HG GLN 23 -1.016 0.360 -3.479 158 1HE2 GLN 23 1HE2 GLN 23 -1.035 3.320 -3.403 159 2HE2 GLN 23 2HE2 GLN 23 -2.250 3.743 -2.251 160 H GLU 24 H GLU 24 0.248 -2.836 -0.294 161 HA GLU 24 HA GLU 24 2.825 -2.534 0.929 162 1HB GLU 24 2HB GLU 24 0.712 -2.937 2.202 163 2HB GLU 24 1HB GLU 24 0.650 -4.555 1.518 164 1HG GLU 24 2HG GLU 24 2.679 -5.167 2.638 165 2HG GLU 24 1HG GLU 24 2.906 -3.516 3.216 166 H ARG 25 H ARG 25 1.272 -4.769 -1.210 167 HA ARG 25 HA ARG 25 3.247 -6.837 -0.983 168 1HB ARG 25 2HB ARG 25 0.619 -6.616 -1.912 169 2HB ARG 25 1HB ARG 25 1.568 -6.929 -3.359 170 1HG ARG 25 2HG ARG 25 2.436 -8.948 -2.443 171 2HG ARG 25 1HG ARG 25 1.759 -8.582 -0.856 172 1HD ARG 25 2HD ARG 25 -0.515 -8.592 -2.070 173 2HD ARG 25 1HD ARG 25 0.344 -9.431 -3.361 174 HE ARG 25 HE ARG 25 -0.481 -10.524 -0.858 175 1HH1 ARG 25 1HH1 ARG 25 1.973 -10.737 -3.329 176 2HH1 ARG 25 2HH1 ARG 25 2.360 -12.388 -2.980 177 1HH2 ARG 25 1HH2 ARG 25 0.027 -12.697 -0.395 178 2HH2 ARG 25 2HH2 ARG 25 1.255 -13.501 -1.315 179 H TYR 26 H TYR 26 2.203 -4.699 -3.612 180 HA TYR 26 HA TYR 26 4.295 -5.314 -5.378 181 1HB TYR 26 2HB TYR 26 3.074 -4.106 -6.801 182 2HB TYR 26 1HB TYR 26 1.910 -4.082 -5.490 183 HD1 TYR 26 1HD TYR 26 1.055 -2.069 -4.814 184 HD2 TYR 26 2HD TYR 26 4.747 -2.051 -6.857 185 HE1 TYR 26 1HE TYR 26 0.896 0.350 -4.967 186 HE2 TYR 26 2HE TYR 26 4.640 0.399 -6.968 187 HH TYR 26 HH TYR 26 2.413 2.157 -6.930 188 H THR 27 H THR 27 3.809 -2.287 -3.523 189 HA THR 27 HA THR 27 6.215 -1.094 -4.256 190 HB THR 27 HB THR 27 5.088 -0.706 -1.507 191 HG1 THR 27 1HG THR 27 3.223 -0.545 -2.441 192 1HG2 THR 27 1HG2 THR 27 6.647 0.879 -3.405 193 2HG2 THR 27 2HG2 THR 27 6.565 0.950 -1.645 194 3HG2 THR 27 3HG2 THR 27 5.328 1.746 -2.618 195 H ALA 28 H ALA 28 5.497 -3.180 -1.484 196 HA ALA 28 HA ALA 28 7.902 -3.013 -0.151 197 1HB ALA 28 1HB ALA 28 7.403 -5.284 0.710 198 2HB ALA 28 2HB ALA 28 6.090 -5.398 -0.461 199 3HB ALA 28 3HB ALA 28 6.036 -4.174 0.809 200 H GLY 29 H GLY 29 7.068 -5.121 -2.883 201 1HA GLY 29 2HA GLY 29 9.616 -6.437 -2.900 202 2HA GLY 29 1HA GLY 29 8.392 -6.520 -4.160 203 H ILE 30 H ILE 30 8.149 -3.999 -5.050 204 HA ILE 30 HA ILE 30 10.423 -3.679 -6.695 205 HB ILE 30 HB ILE 30 8.141 -2.994 -7.355 206 1HG1 ILE 30 2HG1 ILE 30 8.786 -0.820 -8.407 207 2HG1 ILE 30 1HG1 ILE 30 10.228 -0.804 -7.397 208 1HG2 ILE 30 1HG2 ILE 30 7.696 -1.974 -5.050 209 2HG2 ILE 30 2HG2 ILE 30 7.007 -1.183 -6.467 210 3HG2 ILE 30 3HG2 ILE 30 8.456 -0.524 -5.706 211 1HD1 ILE 30 1HD1 ILE 30 10.210 -3.291 -8.684 212 2HD1 ILE 30 2HD1 ILE 30 11.281 -1.922 -8.981 213 3HD1 ILE 30 3HD1 ILE 30 9.788 -2.092 -9.907 214 H ASN 31 H ASN 31 9.253 -1.773 -3.914 215 HA ASN 31 HA ASN 31 11.283 0.172 -4.029 216 1HB ASN 31 2HB ASN 31 9.034 -0.035 -2.583 217 2HB ASN 31 1HB ASN 31 10.189 -0.568 -1.363 218 1HD2 ASN 31 1HD2 ASN 31 11.918 0.862 -0.807 219 2HD2 ASN 31 2HD2 ASN 31 11.722 2.569 -0.979 220 H SER 32 H SER 32 11.083 -2.974 -2.442 221 HA SER 32 HA SER 32 13.394 -2.812 -0.884 222 1HB SER 32 2HB SER 32 11.945 -5.120 -2.161 223 2HB SER 32 1HB SER 32 13.447 -5.383 -1.273 224 HG SER 32 HG SER 32 12.387 -4.267 0.505 225 H PHE 33 H PHE 33 12.939 -3.570 -4.274 226 HA PHE 33 HA PHE 33 15.511 -4.493 -4.891 227 1HB PHE 33 2HB PHE 33 14.333 -4.787 -6.795 228 2HB PHE 33 1HB PHE 33 13.141 -3.590 -6.325 229 HD1 PHE 33 1HD PHE 33 12.948 -1.634 -7.546 230 HD2 PHE 33 2HD PHE 33 16.573 -3.848 -7.752 231 HE1 PHE 33 1HE PHE 33 13.766 -0.122 -9.289 232 HE2 PHE 33 2HE PHE 33 17.395 -2.332 -9.503 233 HZ PHE 33 HZ PHE 33 15.989 -0.470 -10.279 234 H VAL 34 H VAL 34 14.181 -1.254 -4.613 235 HA VAL 34 HA VAL 34 16.432 0.156 -5.627 236 HB VAL 34 HB VAL 34 14.507 1.334 -3.659 237 1HG1 VAL 34 1HG1 VAL 34 15.774 2.484 -6.133 238 2HG1 VAL 34 2HG1 VAL 34 16.447 2.630 -4.509 239 3HG1 VAL 34 3HG1 VAL 34 14.882 3.352 -4.883 240 1HG2 VAL 34 1HG2 VAL 34 13.965 0.618 -6.532 241 2HG2 VAL 34 2HG2 VAL 34 13.061 1.862 -5.677 242 3HG2 VAL 34 3HG2 VAL 34 13.022 0.193 -5.105 243 H SER 35 H SER 35 15.235 -0.018 -2.290 244 HA SER 35 HA SER 35 17.366 1.158 -1.025 245 1HB SER 35 2HB SER 35 15.978 -1.265 0.102 246 2HB SER 35 1HB SER 35 16.676 0.094 0.980 247 HG SER 35 HG SER 35 14.284 -0.041 -0.491 248 H GLY 36 H GLY 36 17.100 -2.203 -2.101 249 1HA GLY 36 2HA GLY 36 19.439 -3.196 -0.904 250 2HA GLY 36 1HA GLY 36 18.691 -3.842 -2.360 251 H VAL 37 H VAL 37 18.932 -1.865 -4.164 252 HA VAL 37 HA VAL 37 21.704 -1.979 -4.870 253 HB VAL 37 HB VAL 37 21.074 -0.617 -6.815 254 1HG1 VAL 37 1HG1 VAL 37 20.115 -2.343 -7.895 255 2HG1 VAL 37 2HG1 VAL 37 18.789 -2.472 -6.740 256 3HG1 VAL 37 3HG1 VAL 37 20.361 -3.181 -6.362 257 1HG2 VAL 37 1HG2 VAL 37 18.269 -0.552 -5.726 258 2HG2 VAL 37 2HG2 VAL 37 18.900 0.268 -7.153 259 3HG2 VAL 37 3HG2 VAL 37 19.405 0.785 -5.545 260 H ALA 38 H ALA 38 19.596 0.323 -3.329 261 HA ALA 38 HA ALA 38 21.269 2.605 -3.637 262 1HB ALA 38 1HB ALA 38 18.805 1.907 -2.174 263 2HB ALA 38 2HB ALA 38 19.177 3.313 -3.172 264 3HB ALA 38 3HB ALA 38 19.759 3.233 -1.509 265 H SER 39 H SER 39 21.264 -0.103 -1.500 266 HA SER 39 HA SER 39 22.479 0.934 0.768 267 1HB SER 39 2HB SER 39 22.870 -1.799 -0.473 268 2HB SER 39 1HB SER 39 23.305 -1.358 1.178 269 HG SER 39 HG SER 39 20.704 -1.366 0.044 270 H GLY 40 H GLY 40 23.847 0.330 -2.387 271 1HA GLY 40 2HA GLY 40 26.094 1.881 -1.985 272 2HA GLY 40 1HA GLY 40 26.568 0.269 -1.498 273 H ALA 41 H ALA 41 24.349 0.987 -4.168 274 HA ALA 41 HA ALA 41 26.040 -0.538 -5.951 275 1HB ALA 41 1HB ALA 41 24.273 -0.033 -7.638 276 2HB ALA 41 2HB ALA 41 23.427 0.899 -6.403 277 3HB ALA 41 3HB ALA 41 23.677 -0.834 -6.184 278 H GLY 42 H GLY 42 25.281 2.825 -5.349 279 1HA GLY 42 2HA GLY 42 27.252 4.291 -5.974 280 2HA GLY 42 1HA GLY 42 27.053 3.619 -7.586 281 H SER 43 H SER 43 25.003 5.135 -5.087 282 HA SER 43 HA SER 43 24.326 7.355 -6.687 283 1HB SER 43 2HB SER 43 22.081 6.863 -7.343 284 2HB SER 43 1HB SER 43 23.074 5.514 -7.894 285 HG SER 43 HG SER 43 21.204 5.621 -5.808 286 H ILE 44 H ILE 44 25.002 8.093 -4.554 287 HA ILE 44 HA ILE 44 22.703 8.599 -2.867 288 HB ILE 44 HB ILE 44 23.558 6.499 -1.919 289 1HG1 ILE 44 2HG1 ILE 44 24.345 7.759 0.380 290 2HG1 ILE 44 1HG1 ILE 44 23.504 9.056 -0.461 291 1HG2 ILE 44 1HG2 ILE 44 26.073 7.834 -1.051 292 2HG2 ILE 44 2HG2 ILE 44 25.978 7.159 -2.677 293 3HG2 ILE 44 3HG2 ILE 44 25.722 6.120 -1.275 294 1HD1 ILE 44 1HD1 ILE 44 22.380 7.045 1.089 295 2HD1 ILE 44 2HD1 ILE 44 21.989 6.613 -0.574 296 3HD1 ILE 44 3HD1 ILE 44 21.533 8.195 0.056 297 H GLY 45 H GLY 45 23.651 10.523 -4.241 298 1HA GLY 45 2HA GLY 45 24.603 12.430 -2.422 299 2HA GLY 45 1HA GLY 45 25.967 11.862 -3.372 300 H ARG 46 H ARG 46 22.625 12.274 -4.433 301 HA ARG 46 HA ARG 46 21.696 13.493 -6.099 302 1HB ARG 46 2HB ARG 46 23.763 15.340 -4.985 303 2HB ARG 46 1HB ARG 46 22.901 15.804 -6.439 304 1HG ARG 46 2HG ARG 46 21.594 16.769 -4.827 305 2HG ARG 46 1HG ARG 46 20.783 15.216 -5.033 306 1HD ARG 46 2HD ARG 46 20.967 15.558 -2.702 307 2HD ARG 46 1HD ARG 46 22.195 14.365 -3.120 308 HE ARG 46 HE ARG 46 23.525 16.731 -3.235 309 1HH1 ARG 46 1HH1 ARG 46 21.572 15.170 -0.800 310 2HH1 ARG 46 2HH1 ARG 46 22.429 15.884 0.524 311 1HH2 ARG 46 1HH2 ARG 46 24.653 17.673 -1.492 312 2HH2 ARG 46 2HH2 ARG 46 24.176 17.306 0.132 313 H ARG 47 H ARG 47 22.567 15.000 -8.132 314 HA ARG 47 HA ARG 47 23.306 14.724 -10.267 315 1HB ARG 47 2HB ARG 47 25.813 14.521 -10.427 316 2HB ARG 47 1HB ARG 47 25.220 15.836 -9.428 317 1HG ARG 47 2HG ARG 47 25.752 14.642 -7.421 318 2HG ARG 47 1HG ARG 47 26.141 13.184 -8.339 319 1HD ARG 47 2HD ARG 47 27.866 14.738 -9.527 320 2HD ARG 47 1HD ARG 47 27.670 15.739 -8.089 321 HE ARG 47 HE ARG 47 28.823 14.173 -6.871 322 1HH1 ARG 47 1HH1 ARG 47 27.960 12.808 -9.965 323 2HH1 ARG 47 2HH1 ARG 47 28.945 11.400 -9.758 324 1HH2 ARG 47 1HH2 ARG 47 30.118 12.322 -6.596 325 2HH2 ARG 47 2HH2 ARG 47 30.170 11.122 -7.845 326 HA PRO 48 HA PRO 48 23.053 10.217 -10.680 327 1HB PRO 48 2HB PRO 48 21.742 10.209 -13.033 328 2HB PRO 48 1HB PRO 48 20.915 10.522 -11.501 329 1HG PRO 48 2HG PRO 48 21.880 12.467 -13.565 330 2HG PRO 48 1HG PRO 48 20.342 12.446 -12.684 331 1HD PRO 48 2HD PRO 48 22.432 14.048 -11.991 332 2HD PRO 48 1HD PRO 48 21.256 13.423 -10.813 Start of MODEL 6 1 H VAL 1 H VAL 1 -21.395 3.132 4.460 2 HA VAL 1 HA VAL 1 -20.851 5.464 3.801 3 HB VAL 1 HB VAL 1 -21.377 5.328 6.096 4 1HG1 VAL 1 1HG1 VAL 1 -19.793 4.373 7.771 5 2HG1 VAL 1 2HG1 VAL 1 -20.283 3.174 6.550 6 3HG1 VAL 1 3HG1 VAL 1 -18.682 3.945 6.448 7 1HG2 VAL 1 1HG2 VAL 1 -20.078 7.035 6.977 8 2HG2 VAL 1 2HG2 VAL 1 -18.553 6.304 6.423 9 3HG2 VAL 1 3HG2 VAL 1 -19.606 7.151 5.264 10 H ASN 2 H ASN 2 -19.222 4.679 2.022 11 HA ASN 2 HA ASN 2 -16.766 6.068 2.540 12 1HB ASN 2 2HB ASN 2 -15.318 4.123 1.895 13 2HB ASN 2 1HB ASN 2 -16.089 3.972 3.471 14 1HD2 ASN 2 1HD2 ASN 2 -15.670 2.597 0.385 15 2HD2 ASN 2 2HD2 ASN 2 -16.746 1.258 0.577 16 H TYR 3 H TYR 3 -18.099 7.174 0.783 17 HA TYR 3 HA TYR 3 -18.077 5.932 -1.829 18 1HB TYR 3 2HB TYR 3 -18.655 8.819 -1.093 19 2HB TYR 3 1HB TYR 3 -19.008 8.044 -2.633 20 HD1 TYR 3 1HD TYR 3 -20.994 6.790 -2.947 21 HD2 TYR 3 2HD TYR 3 -19.900 8.091 0.958 22 HE1 TYR 3 1HE TYR 3 -23.202 6.113 -2.108 23 HE2 TYR 3 2HE TYR 3 -22.108 7.419 1.805 24 HH TYR 3 HH TYR 3 -23.919 5.914 1.220 25 H GLY 4 H GLY 4 -16.692 6.412 -3.535 26 1HA GLY 4 2HA GLY 4 -15.041 8.380 -4.138 27 2HA GLY 4 1HA GLY 4 -14.174 7.693 -2.767 28 H ASN 5 H ASN 5 -14.537 7.607 -6.081 29 HA ASN 5 HA ASN 5 -13.383 6.416 -7.663 30 1HB ASN 5 2HB ASN 5 -11.844 5.866 -5.541 31 2HB ASN 5 1HB ASN 5 -12.522 4.260 -5.791 32 1HD2 ASN 5 1HD2 ASN 5 -10.019 4.171 -6.068 33 2HD2 ASN 5 2HD2 ASN 5 -9.481 4.212 -7.709 34 H GLY 6 H GLY 6 -15.737 6.051 -8.146 35 1HA GLY 6 2HA GLY 6 -17.131 4.471 -9.165 36 2HA GLY 6 1HA GLY 6 -16.163 3.196 -8.435 37 H VAL 7 H VAL 7 -18.705 5.557 -7.819 38 HA VAL 7 HA VAL 7 -19.319 4.345 -5.252 39 HB VAL 7 HB VAL 7 -21.181 6.045 -5.206 40 1HG1 VAL 7 1HG1 VAL 7 -19.167 6.499 -4.019 41 2HG1 VAL 7 2HG1 VAL 7 -19.605 7.970 -4.887 42 3HG1 VAL 7 3HG1 VAL 7 -18.318 6.934 -5.503 43 1HG2 VAL 7 1HG2 VAL 7 -20.834 6.221 -7.880 44 2HG2 VAL 7 2HG2 VAL 7 -19.872 7.599 -7.343 45 3HG2 VAL 7 3HG2 VAL 7 -21.575 7.486 -6.900 46 H SER 8 H SER 8 -20.336 2.464 -5.313 47 HA SER 8 HA SER 8 -22.979 2.175 -6.188 48 1HB SER 8 2HB SER 8 -22.223 0.301 -7.959 49 2HB SER 8 1HB SER 8 -22.516 1.975 -8.431 50 HG SER 8 HG SER 8 -20.545 1.581 -9.231 51 H CYS 9 H CYS 9 -22.462 1.534 -3.877 52 HA CYS 9 HA CYS 9 -22.281 -1.367 -3.767 53 1HB CYS 9 2HB CYS 9 -20.003 0.008 -3.278 54 2HB CYS 9 1HB CYS 9 -20.707 0.006 -1.665 55 H SER 10 H SER 10 -24.574 -0.929 -3.381 56 HA SER 10 HA SER 10 -25.195 0.205 -0.754 57 1HB SER 10 2HB SER 10 -27.578 -0.025 -1.557 58 2HB SER 10 1HB SER 10 -26.576 1.068 -2.509 59 HG SER 10 HG SER 10 -27.763 -1.303 -3.220 60 H LYS 11 H LYS 11 -26.359 -0.932 0.814 61 HA LYS 11 HA LYS 11 -27.170 -2.714 1.984 62 1HB LYS 11 2HB LYS 11 -26.943 -4.101 -0.685 63 2HB LYS 11 1HB LYS 11 -27.397 -4.962 0.774 64 1HG LYS 11 2HG LYS 11 -28.876 -2.631 -0.429 65 2HG LYS 11 1HG LYS 11 -29.347 -4.327 -0.523 66 1HD LYS 11 2HD LYS 11 -28.878 -3.515 2.214 67 2HD LYS 11 1HD LYS 11 -30.083 -2.488 1.435 68 1HE LYS 11 2HE LYS 11 -31.462 -4.147 2.140 69 2HE LYS 11 1HE LYS 11 -30.974 -4.849 0.598 70 1HZ LYS 11 1HZ LYS 11 -30.318 -5.677 3.301 71 2HZ LYS 11 2HZ LYS 11 -29.044 -5.754 2.191 72 3HZ LYS 11 3HZ LYS 11 -30.477 -6.601 1.892 73 H THR 12 H THR 12 -26.052 -3.789 3.493 74 HA THR 12 HA THR 12 -24.312 -4.785 4.570 75 HB THR 12 HB THR 12 -23.381 -5.870 1.926 76 HG1 THR 12 1HG THR 12 -25.490 -7.006 3.423 77 1HG2 THR 12 1HG2 THR 12 -23.173 -6.696 4.753 78 2HG2 THR 12 2HG2 THR 12 -22.017 -6.856 3.430 79 3HG2 THR 12 3HG2 THR 12 -23.380 -7.970 3.549 80 H LYS 13 H LYS 13 -21.774 -5.074 4.395 81 HA LYS 13 HA LYS 13 -20.729 -2.436 3.887 82 1HB LYS 13 2HB LYS 13 -20.164 -4.182 5.803 83 2HB LYS 13 1HB LYS 13 -18.972 -4.734 4.636 84 1HG LYS 13 2HG LYS 13 -17.741 -3.223 5.825 85 2HG LYS 13 1HG LYS 13 -18.349 -2.191 4.531 86 1HD LYS 13 2HD LYS 13 -20.338 -1.824 6.227 87 2HD LYS 13 1HD LYS 13 -19.109 -2.284 7.408 88 1HE LYS 13 2HE LYS 13 -17.708 -0.511 5.950 89 2HE LYS 13 1HE LYS 13 -19.332 0.144 5.738 90 1HZ LYS 13 1HZ LYS 13 -18.759 1.184 7.652 91 2HZ LYS 13 2HZ LYS 13 -17.699 -0.034 8.151 92 3HZ LYS 13 3HZ LYS 13 -19.367 -0.238 8.338 93 H CYS 14 H CYS 14 -18.686 -2.132 2.647 94 HA CYS 14 HA CYS 14 -18.756 -3.787 0.217 95 1HB CYS 14 2HB CYS 14 -19.181 -1.210 0.269 96 2HB CYS 14 1HB CYS 14 -17.424 -1.118 0.370 97 H SER 15 H SER 15 -17.183 -5.231 0.049 98 HA SER 15 HA SER 15 -14.726 -4.929 1.546 99 1HB SER 15 2HB SER 15 -15.175 -7.161 -0.400 100 2HB SER 15 1HB SER 15 -14.357 -7.189 1.163 101 HG SER 15 HG SER 15 -16.962 -7.662 0.568 102 H VAL 16 H VAL 16 -12.869 -6.138 -0.065 103 HA VAL 16 HA VAL 16 -11.479 -5.888 -1.868 104 HB VAL 16 HB VAL 16 -13.181 -3.742 -3.104 105 1HG1 VAL 16 1HG1 VAL 16 -11.079 -5.642 -3.939 106 2HG1 VAL 16 2HG1 VAL 16 -11.404 -3.995 -4.480 107 3HG1 VAL 16 3HG1 VAL 16 -12.367 -5.335 -5.102 108 1HG2 VAL 16 1HG2 VAL 16 -14.175 -5.877 -4.346 109 2HG2 VAL 16 2HG2 VAL 16 -14.931 -5.192 -2.909 110 3HG2 VAL 16 3HG2 VAL 16 -13.886 -6.606 -2.767 111 H ASN 17 H ASN 17 -9.943 -5.010 -0.504 112 HA ASN 17 HA ASN 17 -9.737 -2.057 -0.538 113 1HB ASN 17 2HB ASN 17 -9.303 -4.047 1.651 114 2HB ASN 17 1HB ASN 17 -8.322 -2.582 1.623 115 1HD2 ASN 17 1HD2 ASN 17 -9.832 -2.875 3.754 116 2HD2 ASN 17 2HD2 ASN 17 -11.218 -1.845 3.717 117 H TRP 18 H TRP 18 -8.723 -3.981 -2.425 118 HA TRP 18 HA TRP 18 -6.168 -4.845 -2.305 119 1HB TRP 18 2HB TRP 18 -7.995 -4.145 -4.363 120 2HB TRP 18 1HB TRP 18 -6.444 -3.432 -4.795 121 HD1 TRP 18 HD TRP 18 -5.022 -4.983 -6.217 122 HE1 TRP 18 1HE TRP 18 -4.740 -7.530 -6.478 123 HE3 TRP 18 3HE TRP 18 -8.341 -6.534 -2.657 124 HZ2 TRP 18 2HZ TRP 18 -5.784 -9.880 -5.320 125 HZ3 TRP 18 3HZ TRP 18 -8.635 -8.947 -2.290 126 HH2 TRP 18 HH TRP 18 -7.383 -10.585 -3.595 127 H GLY 19 H GLY 19 -7.167 -1.476 -2.401 128 1HA GLY 19 2HA GLY 19 -4.986 -0.113 -3.270 129 2HA GLY 19 1HA GLY 19 -5.957 0.422 -1.908 130 H GLN 20 H GLN 20 -5.416 -1.004 0.146 131 HA GLN 20 HA GLN 20 -2.714 -0.348 0.794 132 1HB GLN 20 2HB GLN 20 -4.950 -1.701 2.278 133 2HB GLN 20 1HB GLN 20 -3.328 -1.664 2.951 134 1HG GLN 20 2HG GLN 20 -4.036 0.959 2.078 135 2HG GLN 20 1HG GLN 20 -5.321 0.314 3.099 136 1HE2 GLN 20 1HE2 GLN 20 -1.931 1.135 2.933 137 2HE2 GLN 20 2HE2 GLN 20 -1.663 1.215 4.637 138 H ALA 21 H ALA 21 -4.400 -3.353 0.076 139 HA ALA 21 HA ALA 21 -2.308 -5.120 0.787 140 1HB ALA 21 1HB ALA 21 -3.544 -6.777 -0.514 141 2HB ALA 21 2HB ALA 21 -4.524 -5.492 -1.224 142 3HB ALA 21 3HB ALA 21 -4.638 -5.836 0.501 143 H PHE 22 H PHE 22 -3.409 -4.371 -2.530 144 HA PHE 22 HA PHE 22 -1.251 -5.438 -3.855 145 1HB PHE 22 2HB PHE 22 -3.311 -4.466 -4.941 146 2HB PHE 22 1HB PHE 22 -2.599 -2.869 -4.702 147 HD1 PHE 22 1HD PHE 22 -1.957 -6.160 -6.295 148 HD2 PHE 22 2HD PHE 22 -1.109 -2.004 -6.168 149 HE1 PHE 22 1HE PHE 22 -0.582 -6.381 -8.310 150 HE2 PHE 22 2HE PHE 22 0.251 -2.204 -8.180 151 HZ PHE 22 HZ PHE 22 0.520 -4.397 -9.282 152 H GLN 23 H GLN 23 -1.455 -2.354 -2.187 153 HA GLN 23 HA GLN 23 0.942 -1.339 -3.412 154 1HB GLN 23 2HB GLN 23 -0.772 0.233 -2.736 155 2HB GLN 23 1HB GLN 23 -0.743 -0.366 -1.087 156 1HG GLN 23 2HG GLN 23 1.659 0.421 -0.982 157 2HG GLN 23 1HG GLN 23 1.344 1.263 -2.499 158 1HE2 GLN 23 1HE2 GLN 23 0.115 3.085 -2.502 159 2HE2 GLN 23 2HE2 GLN 23 -0.442 3.866 -1.066 160 H GLU 24 H GLU 24 0.106 -2.887 -0.373 161 HA GLU 24 HA GLU 24 2.667 -2.404 0.833 162 1HB GLU 24 2HB GLU 24 0.662 -2.736 2.203 163 2HB GLU 24 1HB GLU 24 0.467 -4.355 1.554 164 1HG GLU 24 2HG GLU 24 3.096 -4.101 2.618 165 2HG GLU 24 1HG GLU 24 1.931 -3.552 3.822 166 H ARG 25 H ARG 25 1.240 -4.708 -1.249 167 HA ARG 25 HA ARG 25 3.164 -6.797 -0.878 168 1HB ARG 25 2HB ARG 25 0.622 -6.468 -2.053 169 2HB ARG 25 1HB ARG 25 1.701 -6.940 -3.356 170 1HG ARG 25 2HG ARG 25 2.285 -8.956 -2.284 171 2HG ARG 25 1HG ARG 25 1.586 -8.429 -0.753 172 1HD ARG 25 2HD ARG 25 -0.386 -9.280 -1.308 173 2HD ARG 25 1HD ARG 25 -0.415 -8.342 -2.801 174 HE ARG 25 HE ARG 25 0.337 -11.118 -2.492 175 1HH1 ARG 25 1HH1 ARG 25 0.429 -8.293 -4.541 176 2HH1 ARG 25 2HH1 ARG 25 0.703 -9.200 -5.988 177 1HH2 ARG 25 1HH2 ARG 25 0.702 -12.309 -4.395 178 2HH2 ARG 25 2HH2 ARG 25 0.859 -11.478 -5.907 179 H TYR 26 H TYR 26 2.346 -4.676 -3.632 180 HA TYR 26 HA TYR 26 4.654 -5.368 -5.114 181 1HB TYR 26 2HB TYR 26 3.742 -4.132 -6.774 182 2HB TYR 26 1HB TYR 26 2.323 -4.322 -5.774 183 HD1 TYR 26 1HD TYR 26 5.084 -1.916 -6.508 184 HD2 TYR 26 2HD TYR 26 1.140 -2.504 -5.128 185 HE1 TYR 26 1HE TYR 26 4.697 0.504 -6.547 186 HE2 TYR 26 2HE TYR 26 0.718 -0.101 -5.164 187 HH TYR 26 HH TYR 26 2.569 2.041 -6.784 188 H THR 27 H THR 27 3.894 -2.238 -3.483 189 HA THR 27 HA THR 27 6.341 -1.037 -3.998 190 HB THR 27 HB THR 27 5.028 -0.547 -1.356 191 HG1 THR 27 1HG THR 27 3.204 -0.057 -2.224 192 1HG2 THR 27 1HG2 THR 27 6.589 1.078 -1.618 193 2HG2 THR 27 2HG2 THR 27 5.231 1.854 -2.431 194 3HG2 THR 27 3HG2 THR 27 6.487 1.055 -3.377 195 H ALA 28 H ALA 28 5.469 -3.319 -1.458 196 HA ALA 28 HA ALA 28 7.737 -3.098 0.149 197 1HB ALA 28 1HB ALA 28 5.812 -5.307 -0.415 198 2HB ALA 28 2HB ALA 28 6.119 -4.439 1.090 199 3HB ALA 28 3HB ALA 28 7.268 -5.650 0.520 200 H GLY 29 H GLY 29 7.171 -5.262 -2.625 201 1HA GLY 29 2HA GLY 29 9.861 -6.272 -2.622 202 2HA GLY 29 1HA GLY 29 8.648 -6.530 -3.868 203 H ILE 30 H ILE 30 8.127 -3.770 -4.401 204 HA ILE 30 HA ILE 30 10.189 -3.268 -6.304 205 HB ILE 30 HB ILE 30 7.876 -1.542 -5.387 206 1HG1 ILE 30 2HG1 ILE 30 7.263 -3.672 -6.491 207 2HG1 ILE 30 1HG1 ILE 30 6.798 -2.266 -7.441 208 1HG2 ILE 30 1HG2 ILE 30 9.111 0.094 -6.352 209 2HG2 ILE 30 2HG2 ILE 30 8.425 -0.589 -7.826 210 3HG2 ILE 30 3HG2 ILE 30 10.055 -1.036 -7.323 211 1HD1 ILE 30 1HD1 ILE 30 9.388 -3.014 -8.269 212 2HD1 ILE 30 2HD1 ILE 30 7.875 -3.109 -9.170 213 3HD1 ILE 30 3HD1 ILE 30 8.406 -4.478 -8.194 214 H ASN 31 H ASN 31 9.279 -1.826 -3.205 215 HA ASN 31 HA ASN 31 11.138 0.284 -3.227 216 1HB ASN 31 2HB ASN 31 9.226 0.182 -1.652 217 2HB ASN 31 1HB ASN 31 9.991 -1.180 -0.830 218 1HD2 ASN 31 1HD2 ASN 31 10.612 2.170 -1.802 219 2HD2 ASN 31 2HD2 ASN 31 11.539 2.584 -0.404 220 H SER 32 H SER 32 11.336 -3.073 -2.129 221 HA SER 32 HA SER 32 13.800 -2.989 -0.835 222 1HB SER 32 2HB SER 32 12.020 -4.987 -1.433 223 2HB SER 32 1HB SER 32 13.372 -5.393 -2.491 224 HG SER 32 HG SER 32 14.723 -5.338 -0.645 225 H PHE 33 H PHE 33 13.057 -3.595 -4.252 226 HA PHE 33 HA PHE 33 15.523 -4.071 -5.314 227 1HB PHE 33 2HB PHE 33 14.095 -4.047 -7.082 228 2HB PHE 33 1HB PHE 33 13.006 -2.918 -6.285 229 HD1 PHE 33 1HD PHE 33 13.503 -0.468 -6.385 230 HD2 PHE 33 2HD PHE 33 15.582 -3.313 -8.765 231 HE1 PHE 33 1HE PHE 33 14.279 1.341 -7.854 232 HE2 PHE 33 2HE PHE 33 16.360 -1.508 -10.247 233 HZ PHE 33 HZ PHE 33 15.707 0.823 -9.791 234 H VAL 34 H VAL 34 14.166 -0.981 -4.302 235 HA VAL 34 HA VAL 34 16.280 0.637 -5.296 236 HB VAL 34 HB VAL 34 14.603 1.448 -2.945 237 1HG1 VAL 34 1HG1 VAL 34 16.276 3.009 -3.589 238 2HG1 VAL 34 2HG1 VAL 34 14.726 3.636 -4.152 239 3HG1 VAL 34 3HG1 VAL 34 15.836 2.872 -5.291 240 1HG2 VAL 34 1HG2 VAL 34 12.840 2.167 -4.484 241 2HG2 VAL 34 2HG2 VAL 34 13.056 0.422 -4.545 242 3HG2 VAL 34 3HG2 VAL 34 13.708 1.435 -5.830 243 H SER 35 H SER 35 15.458 -0.097 -1.916 244 HA SER 35 HA SER 35 17.690 0.873 -0.689 245 1HB SER 35 2HB SER 35 16.457 -1.765 0.102 246 2HB SER 35 1HB SER 35 17.227 -0.573 1.148 247 HG SER 35 HG SER 35 14.713 -0.743 0.720 248 H GLY 36 H GLY 36 17.330 -2.494 -1.832 249 1HA GLY 36 2HA GLY 36 19.930 -3.354 -1.297 250 2HA GLY 36 1HA GLY 36 18.905 -4.004 -2.572 251 H VAL 37 H VAL 37 18.649 -2.092 -4.366 252 HA VAL 37 HA VAL 37 21.131 -2.037 -5.715 253 HB VAL 37 HB VAL 37 18.551 -0.538 -6.198 254 1HG1 VAL 37 1HG1 VAL 37 19.609 -0.355 -8.576 255 2HG1 VAL 37 2HG1 VAL 37 21.132 -0.478 -7.693 256 3HG1 VAL 37 3HG1 VAL 37 20.007 0.833 -7.335 257 1HG2 VAL 37 1HG2 VAL 37 18.747 -3.102 -6.410 258 2HG2 VAL 37 2HG2 VAL 37 19.674 -2.755 -7.869 259 3HG2 VAL 37 3HG2 VAL 37 18.006 -2.195 -7.730 260 H ALA 38 H ALA 38 19.753 0.016 -3.327 261 HA ALA 38 HA ALA 38 21.211 2.392 -4.031 262 1HB ALA 38 1HB ALA 38 19.713 1.654 -1.521 263 2HB ALA 38 2HB ALA 38 19.094 2.588 -2.880 264 3HB ALA 38 3HB ALA 38 20.382 3.247 -1.872 265 H SER 39 H SER 39 21.790 -0.445 -2.122 266 HA SER 39 HA SER 39 23.805 0.563 -0.426 267 1HB SER 39 2HB SER 39 22.564 -1.676 -0.247 268 2HB SER 39 1HB SER 39 23.705 -2.272 -1.454 269 HG SER 39 HG SER 39 24.425 -2.682 0.676 270 H GLY 40 H GLY 40 23.906 -0.952 -3.625 271 1HA GLY 40 2HA GLY 40 26.783 -0.738 -3.798 272 2HA GLY 40 1HA GLY 40 25.695 -1.276 -5.070 273 H ALA 41 H ALA 41 24.066 0.735 -5.579 274 HA ALA 41 HA ALA 41 23.868 2.728 -6.670 275 1HB ALA 41 1HB ALA 41 26.127 3.533 -4.855 276 2HB ALA 41 2HB ALA 41 24.404 3.667 -4.500 277 3HB ALA 41 3HB ALA 41 25.118 4.634 -5.791 278 H GLY 42 H GLY 42 25.949 0.643 -7.473 279 1HA GLY 42 2HA GLY 42 27.026 2.188 -9.673 280 2HA GLY 42 1HA GLY 42 28.239 1.563 -8.567 281 H SER 43 H SER 43 25.266 -0.127 -9.319 282 HA SER 43 HA SER 43 26.858 -2.297 -10.475 283 1HB SER 43 2HB SER 43 24.924 -2.411 -8.589 284 2HB SER 43 1HB SER 43 23.951 -2.672 -10.036 285 HG SER 43 HG SER 43 24.632 -4.663 -9.486 286 H ILE 44 H ILE 44 26.182 0.178 -11.943 287 HA ILE 44 HA ILE 44 25.723 0.711 -14.109 288 HB ILE 44 HB ILE 44 24.870 -2.156 -14.518 289 1HG1 ILE 44 2HG1 ILE 44 27.559 -1.123 -15.318 290 2HG1 ILE 44 1HG1 ILE 44 27.300 -1.586 -13.640 291 1HG2 ILE 44 1HG2 ILE 44 25.458 -1.668 -16.877 292 2HG2 ILE 44 2HG2 ILE 44 25.714 0.018 -16.427 293 3HG2 ILE 44 3HG2 ILE 44 24.111 -0.703 -16.276 294 1HD1 ILE 44 1HD1 ILE 44 28.267 -3.396 -14.958 295 2HD1 ILE 44 2HD1 ILE 44 26.864 -3.365 -16.027 296 3HD1 ILE 44 3HD1 ILE 44 26.674 -3.822 -14.335 297 H GLY 45 H GLY 45 24.035 1.978 -13.136 298 1HA GLY 45 2HA GLY 45 21.461 1.356 -14.280 299 2HA GLY 45 1HA GLY 45 21.470 1.316 -12.526 300 H ARG 46 H ARG 46 23.330 3.475 -14.599 301 HA ARG 46 HA ARG 46 21.550 5.693 -14.221 302 1HB ARG 46 2HB ARG 46 23.031 7.081 -12.894 303 2HB ARG 46 1HB ARG 46 22.666 5.602 -12.017 304 1HG ARG 46 2HG ARG 46 24.890 4.741 -13.025 305 2HG ARG 46 1HG ARG 46 25.225 6.451 -13.304 306 1HD ARG 46 2HD ARG 46 24.222 5.946 -10.626 307 2HD ARG 46 1HD ARG 46 25.694 5.039 -10.970 308 HE ARG 46 HE ARG 46 26.269 7.550 -11.828 309 1HH1 ARG 46 1HH1 ARG 46 25.099 6.231 -8.816 310 2HH1 ARG 46 2HH1 ARG 46 25.837 7.462 -7.847 311 1HH2 ARG 46 1HH2 ARG 46 27.239 9.170 -10.555 312 2HH2 ARG 46 2HH2 ARG 46 27.052 9.131 -8.833 313 H ARG 47 H ARG 47 21.605 6.113 -16.368 314 HA ARG 47 HA ARG 47 24.133 7.147 -17.430 315 1HB ARG 47 2HB ARG 47 22.379 5.093 -18.782 316 2HB ARG 47 1HB ARG 47 23.583 6.044 -19.639 317 1HG ARG 47 2HG ARG 47 24.798 4.171 -19.213 318 2HG ARG 47 1HG ARG 47 25.174 5.106 -17.765 319 1HD ARG 47 2HD ARG 47 24.549 3.234 -16.685 320 2HD ARG 47 1HD ARG 47 22.917 3.835 -16.977 321 HE ARG 47 HE ARG 47 23.803 2.276 -19.165 322 1HH1 ARG 47 1HH1 ARG 47 22.681 1.985 -15.874 323 2HH1 ARG 47 2HH1 ARG 47 22.039 0.393 -16.102 324 1HH2 ARG 47 1HH2 ARG 47 22.958 0.182 -19.467 325 2HH2 ARG 47 2HH2 ARG 47 22.197 -0.631 -18.141 326 HA PRO 48 HA PRO 48 21.756 10.541 -18.891 327 1HB PRO 48 2HB PRO 48 23.176 10.347 -21.483 328 2HB PRO 48 1HB PRO 48 23.098 11.694 -20.342 329 1HG PRO 48 2HG PRO 48 25.316 10.226 -20.600 330 2HG PRO 48 1HG PRO 48 24.800 10.850 -19.023 331 1HD PRO 48 2HD PRO 48 24.563 8.086 -20.142 332 2HD PRO 48 1HD PRO 48 24.940 8.609 -18.483 Start of MODEL 7 1 H VAL 1 H VAL 1 -19.954 7.195 12.653 2 HA VAL 1 HA VAL 1 -18.174 8.822 12.057 3 HB VAL 1 HB VAL 1 -20.696 9.985 13.299 4 1HG1 VAL 1 1HG1 VAL 1 -20.154 11.924 11.736 5 2HG1 VAL 1 2HG1 VAL 1 -19.087 11.772 13.153 6 3HG1 VAL 1 3HG1 VAL 1 -18.529 11.220 11.555 7 1HG2 VAL 1 1HG2 VAL 1 -21.300 10.142 10.826 8 2HG2 VAL 1 2HG2 VAL 1 -19.873 9.130 10.497 9 3HG2 VAL 1 3HG2 VAL 1 -21.209 8.490 11.483 10 H ASN 2 H ASN 2 -17.396 7.763 14.613 11 HA ASN 2 HA ASN 2 -17.075 9.974 16.419 12 1HB ASN 2 2HB ASN 2 -17.074 7.293 16.797 13 2HB ASN 2 1HB ASN 2 -15.339 7.601 16.747 14 1HD2 ASN 2 1HD2 ASN 2 -17.479 6.965 18.879 15 2HD2 ASN 2 2HD2 ASN 2 -17.088 8.058 20.159 16 H TYR 3 H TYR 3 -14.893 10.595 17.209 17 HA TYR 3 HA TYR 3 -12.650 10.337 15.387 18 1HB TYR 3 2HB TYR 3 -14.433 12.634 15.243 19 2HB TYR 3 1HB TYR 3 -12.825 13.138 15.729 20 HD1 TYR 3 1HD TYR 3 -10.972 13.015 14.187 21 HD2 TYR 3 2HD TYR 3 -14.812 11.619 13.048 22 HE1 TYR 3 1HE TYR 3 -10.266 12.989 11.838 23 HE2 TYR 3 2HE TYR 3 -14.118 11.586 10.702 24 HH TYR 3 HH TYR 3 -11.351 13.103 9.583 25 H GLY 4 H GLY 4 -13.157 9.602 18.043 26 1HA GLY 4 2HA GLY 4 -11.153 11.247 19.477 27 2HA GLY 4 1HA GLY 4 -12.638 10.732 20.273 28 H ASN 5 H ASN 5 -10.339 9.113 18.142 29 HA ASN 5 HA ASN 5 -9.421 7.315 20.203 30 1HB ASN 5 2HB ASN 5 -11.241 6.361 17.989 31 2HB ASN 5 1HB ASN 5 -10.183 5.281 18.882 32 1HD2 ASN 5 1HD2 ASN 5 -10.751 4.619 20.871 33 2HD2 ASN 5 2HD2 ASN 5 -12.248 5.014 21.636 34 H GLY 6 H GLY 6 -9.805 7.767 16.714 35 1HA GLY 6 2HA GLY 6 -7.437 8.416 15.799 36 2HA GLY 6 1HA GLY 6 -7.117 6.747 16.249 37 H VAL 7 H VAL 7 -8.949 8.846 14.159 38 HA VAL 7 HA VAL 7 -9.041 6.775 12.120 39 HB VAL 7 HB VAL 7 -11.188 6.479 13.316 40 1HG1 VAL 7 1HG1 VAL 7 -11.833 9.264 12.451 41 2HG1 VAL 7 2HG1 VAL 7 -11.395 8.824 14.098 42 3HG1 VAL 7 3HG1 VAL 7 -12.867 8.177 13.365 43 1HG2 VAL 7 1HG2 VAL 7 -11.725 7.758 10.656 44 2HG2 VAL 7 2HG2 VAL 7 -12.559 6.395 11.402 45 3HG2 VAL 7 3HG2 VAL 7 -10.908 6.203 10.809 46 H SER 8 H SER 8 -8.899 7.611 10.094 47 HA SER 8 HA SER 8 -8.955 10.562 9.847 48 1HB SER 8 2HB SER 8 -6.681 9.294 9.779 49 2HB SER 8 1HB SER 8 -7.183 8.824 8.155 50 HG SER 8 HG SER 8 -7.041 11.497 9.105 51 H CYS 9 H CYS 9 -11.301 9.499 9.324 52 HA CYS 9 HA CYS 9 -11.554 9.852 6.462 53 1HB CYS 9 2HB CYS 9 -11.174 7.436 6.655 54 2HB CYS 9 1HB CYS 9 -12.494 7.310 7.809 55 H SER 10 H SER 10 -13.267 11.102 6.087 56 HA SER 10 HA SER 10 -15.214 11.502 8.227 57 1HB SER 10 2HB SER 10 -13.997 13.372 6.817 58 2HB SER 10 1HB SER 10 -15.277 13.036 5.653 59 HG SER 10 HG SER 10 -16.297 14.440 6.874 60 H LYS 11 H LYS 11 -15.466 11.366 4.675 61 HA LYS 11 HA LYS 11 -17.320 9.193 4.737 62 1HB LYS 11 2HB LYS 11 -19.240 10.418 3.809 63 2HB LYS 11 1HB LYS 11 -18.842 10.945 5.437 64 1HG LYS 11 2HG LYS 11 -17.893 12.960 4.660 65 2HG LYS 11 1HG LYS 11 -17.875 12.390 2.989 66 1HD LYS 11 2HD LYS 11 -20.496 12.176 3.493 67 2HD LYS 11 1HD LYS 11 -20.100 13.485 4.608 68 1HE LYS 11 2HE LYS 11 -19.542 13.429 1.644 69 2HE LYS 11 1HE LYS 11 -20.790 14.375 2.454 70 1HZ LYS 11 1HZ LYS 11 -17.906 14.816 2.342 71 2HZ LYS 11 2HZ LYS 11 -18.695 15.235 3.779 72 3HZ LYS 11 3HZ LYS 11 -19.175 15.936 2.316 73 H THR 12 H THR 12 -18.299 8.858 2.501 74 HA THR 12 HA THR 12 -18.035 8.477 0.290 75 HB THR 12 HB THR 12 -16.193 10.705 -0.230 76 HG1 THR 12 1HG THR 12 -17.409 12.270 0.542 77 1HG2 THR 12 1HG2 THR 12 -17.224 10.644 -2.175 78 2HG2 THR 12 2HG2 THR 12 -18.758 11.030 -1.396 79 3HG2 THR 12 3HG2 THR 12 -18.259 9.347 -1.579 80 H LYS 13 H LYS 13 -14.853 9.859 1.206 81 HA LYS 13 HA LYS 13 -13.518 7.829 -0.344 82 1HB LYS 13 2HB LYS 13 -12.660 10.225 1.208 83 2HB LYS 13 1HB LYS 13 -11.463 8.984 0.862 84 1HG LYS 13 2HG LYS 13 -12.513 9.269 -1.584 85 2HG LYS 13 1HG LYS 13 -12.805 10.889 -0.949 86 1HD LYS 13 2HD LYS 13 -10.531 11.305 -0.635 87 2HD LYS 13 1HD LYS 13 -10.115 9.591 -0.683 88 1HE LYS 13 2HE LYS 13 -9.509 9.989 -2.802 89 2HE LYS 13 1HE LYS 13 -11.239 9.975 -3.144 90 1HZ LYS 13 1HZ LYS 13 -11.328 12.255 -3.245 91 2HZ LYS 13 2HZ LYS 13 -9.795 11.967 -3.900 92 3HZ LYS 13 3HZ LYS 13 -9.946 12.477 -2.294 93 H CYS 14 H CYS 14 -14.117 5.892 0.701 94 HA CYS 14 HA CYS 14 -12.287 5.060 2.703 95 1HB CYS 14 2HB CYS 14 -14.789 6.084 3.641 96 2HB CYS 14 1HB CYS 14 -14.717 4.358 3.961 97 H SER 15 H SER 15 -12.830 4.149 0.131 98 HA SER 15 HA SER 15 -13.437 1.380 0.707 99 1HB SER 15 2HB SER 15 -15.092 2.863 -1.344 100 2HB SER 15 1HB SER 15 -15.182 1.142 -0.984 101 HG SER 15 HG SER 15 -16.626 1.727 0.422 102 H VAL 16 H VAL 16 -12.224 0.071 -0.471 103 HA VAL 16 HA VAL 16 -11.436 0.599 -3.159 104 HB VAL 16 HB VAL 16 -9.846 2.092 -2.059 105 1HG1 VAL 16 1HG1 VAL 16 -8.220 1.295 -0.465 106 2HG1 VAL 16 2HG1 VAL 16 -8.872 -0.340 -0.567 107 3HG1 VAL 16 3HG1 VAL 16 -9.846 0.958 0.130 108 1HG2 VAL 16 1HG2 VAL 16 -8.230 -0.304 -2.837 109 2HG2 VAL 16 2HG2 VAL 16 -7.955 1.398 -3.210 110 3HG2 VAL 16 3HG2 VAL 16 -9.240 0.512 -4.030 111 H ASN 17 H ASN 17 -11.120 -1.292 -4.145 112 HA ASN 17 HA ASN 17 -10.738 -3.696 -2.479 113 1HB ASN 17 2HB ASN 17 -11.883 -3.442 -5.276 114 2HB ASN 17 1HB ASN 17 -11.739 -4.940 -4.359 115 1HD2 ASN 17 1HD2 ASN 17 -13.969 -5.260 -4.478 116 2HD2 ASN 17 2HD2 ASN 17 -15.072 -4.353 -3.505 117 H TRP 18 H TRP 18 -9.008 -5.028 -2.819 118 HA TRP 18 HA TRP 18 -6.915 -5.677 -3.510 119 1HB TRP 18 2HB TRP 18 -8.564 -6.026 -5.612 120 2HB TRP 18 1HB TRP 18 -7.461 -4.852 -6.324 121 HD1 TRP 18 HD TRP 18 -4.868 -5.612 -6.569 122 HE1 TRP 18 1HE TRP 18 -3.806 -7.950 -6.735 123 HE3 TRP 18 3HE TRP 18 -8.793 -8.415 -4.874 124 HZ2 TRP 18 2HZ TRP 18 -4.534 -10.625 -6.221 125 HZ3 TRP 18 3HZ TRP 18 -8.528 -10.856 -4.743 126 HH2 TRP 18 HH TRP 18 -6.442 -11.937 -5.403 127 H GLY 19 H GLY 19 -7.204 -2.964 -2.626 128 1HA GLY 19 2HA GLY 19 -5.173 -1.582 -4.290 129 2HA GLY 19 1HA GLY 19 -6.369 -0.766 -3.296 130 H GLN 20 H GLN 20 -6.178 -2.217 -0.943 131 HA GLN 20 HA GLN 20 -3.860 -1.024 0.205 132 1HB GLN 20 2HB GLN 20 -6.301 -1.955 1.155 133 2HB GLN 20 1HB GLN 20 -5.126 -3.054 1.866 134 1HG GLN 20 2HG GLN 20 -4.876 -1.525 3.455 135 2HG GLN 20 1HG GLN 20 -3.978 -0.591 2.261 136 1HE2 GLN 20 1HE2 GLN 20 -5.889 0.031 4.567 137 2HE2 GLN 20 2HE2 GLN 20 -6.984 1.179 3.884 138 H ALA 21 H ALA 21 -4.712 -4.261 -0.821 139 HA ALA 21 HA ALA 21 -2.492 -5.592 0.361 140 1HB ALA 21 1HB ALA 21 -3.171 -7.492 -0.866 141 2HB ALA 21 2HB ALA 21 -4.013 -6.506 -2.062 142 3HB ALA 21 3HB ALA 21 -4.651 -6.642 -0.425 143 H PHE 22 H PHE 22 -3.138 -4.769 -3.056 144 HA PHE 22 HA PHE 22 -0.687 -5.506 -4.086 145 1HB PHE 22 2HB PHE 22 -2.673 -4.713 -5.431 146 2HB PHE 22 1HB PHE 22 -2.193 -3.064 -5.033 147 HD1 PHE 22 1HD PHE 22 -1.185 -2.010 -6.734 148 HD2 PHE 22 2HD PHE 22 -0.378 -6.127 -6.142 149 HE1 PHE 22 1HE PHE 22 0.438 -1.939 -8.551 150 HE2 PHE 22 2HE PHE 22 1.252 -6.075 -7.963 151 HZ PHE 22 HZ PHE 22 1.662 -3.978 -9.197 152 H GLN 23 H GLN 23 -1.489 -2.534 -2.352 153 HA GLN 23 HA GLN 23 0.893 -1.196 -3.219 154 1HB GLN 23 2HB GLN 23 -1.135 0.040 -2.524 155 2HB GLN 23 1HB GLN 23 -0.907 -0.537 -0.879 156 1HG GLN 23 2HG GLN 23 1.263 0.623 -0.800 157 2HG GLN 23 1HG GLN 23 0.964 1.248 -2.421 158 1HE2 GLN 23 1HE2 GLN 23 0.266 1.539 0.927 159 2HE2 GLN 23 2HE2 GLN 23 -0.712 2.959 0.829 160 H GLU 24 H GLU 24 -0.075 -2.996 -0.356 161 HA GLU 24 HA GLU 24 2.327 -2.507 1.102 162 1HB GLU 24 2HB GLU 24 -0.053 -3.344 1.883 163 2HB GLU 24 1HB GLU 24 0.635 -4.930 1.567 164 1HG GLU 24 2HG GLU 24 1.080 -4.633 3.804 165 2HG GLU 24 1HG GLU 24 2.586 -4.113 3.048 166 H ARG 25 H ARG 25 1.236 -4.858 -1.212 167 HA ARG 25 HA ARG 25 3.366 -6.717 -0.843 168 1HB ARG 25 2HB ARG 25 0.881 -6.709 -2.068 169 2HB ARG 25 1HB ARG 25 1.995 -6.760 -3.427 170 1HG ARG 25 2HG ARG 25 2.860 -8.799 -2.821 171 2HG ARG 25 1HG ARG 25 2.402 -8.605 -1.128 172 1HD ARG 25 2HD ARG 25 0.025 -8.563 -2.666 173 2HD ARG 25 1HD ARG 25 0.992 -9.928 -3.222 174 HE ARG 25 HE ARG 25 0.907 -9.851 -0.392 175 1HH1 ARG 25 1HH1 ARG 25 -1.033 -10.674 -3.175 176 2HH1 ARG 25 2HH1 ARG 25 -1.993 -11.831 -2.317 177 1HH2 ARG 25 1HH2 ARG 25 -0.351 -11.371 0.735 178 2HH2 ARG 25 2HH2 ARG 25 -1.607 -12.228 -0.096 179 H TYR 26 H TYR 26 2.515 -4.431 -3.428 180 HA TYR 26 HA TYR 26 4.908 -4.838 -4.893 181 1HB TYR 26 2HB TYR 26 3.833 -3.698 -6.492 182 2HB TYR 26 1HB TYR 26 2.462 -3.867 -5.412 183 HD1 TYR 26 1HD TYR 26 1.347 -2.021 -4.658 184 HD2 TYR 26 2HD TYR 26 5.160 -1.489 -6.352 185 HE1 TYR 26 1HE TYR 26 0.938 0.380 -4.689 186 HE2 TYR 26 2HE TYR 26 4.811 0.924 -6.355 187 HH TYR 26 HH TYR 26 2.448 2.466 -6.429 188 H THR 27 H THR 27 3.832 -1.908 -3.094 189 HA THR 27 HA THR 27 6.202 -0.492 -3.409 190 HB THR 27 HB THR 27 4.591 -0.337 -0.872 191 HG1 THR 27 1HG THR 27 3.647 1.300 -2.788 192 1HG2 THR 27 1HG2 THR 27 5.536 1.634 -0.563 193 2HG2 THR 27 2HG2 THR 27 5.178 2.147 -2.211 194 3HG2 THR 27 3HG2 THR 27 6.644 1.228 -1.872 195 H ALA 28 H ALA 28 5.433 -3.085 -1.206 196 HA ALA 28 HA ALA 28 7.624 -2.757 0.549 197 1HB ALA 28 1HB ALA 28 5.958 -4.155 1.368 198 2HB ALA 28 2HB ALA 28 7.237 -5.284 0.923 199 3HB ALA 28 3HB ALA 28 5.845 -5.066 -0.138 200 H GLY 29 H GLY 29 7.204 -4.703 -2.396 201 1HA GLY 29 2HA GLY 29 9.900 -5.726 -2.307 202 2HA GLY 29 1HA GLY 29 8.745 -5.928 -3.618 203 H ILE 30 H ILE 30 8.180 -3.285 -4.226 204 HA ILE 30 HA ILE 30 10.303 -2.627 -5.943 205 HB ILE 30 HB ILE 30 8.012 -0.886 -5.008 206 1HG1 ILE 30 2HG1 ILE 30 7.304 -2.986 -6.087 207 2HG1 ILE 30 1HG1 ILE 30 6.912 -1.582 -7.072 208 1HG2 ILE 30 1HG2 ILE 30 9.948 -0.572 -7.294 209 2HG2 ILE 30 2HG2 ILE 30 9.682 0.532 -5.946 210 3HG2 ILE 30 3HG2 ILE 30 8.431 0.317 -7.170 211 1HD1 ILE 30 1HD1 ILE 30 9.412 -2.345 -7.964 212 2HD1 ILE 30 2HD1 ILE 30 7.867 -2.654 -8.755 213 3HD1 ILE 30 3HD1 ILE 30 8.566 -3.865 -7.682 214 H ASN 31 H ASN 31 9.415 -1.482 -2.727 215 HA ASN 31 HA ASN 31 11.267 0.670 -2.651 216 1HB ASN 31 2HB ASN 31 9.334 0.483 -1.088 217 2HB ASN 31 1HB ASN 31 10.123 -0.896 -0.316 218 1HD2 ASN 31 1HD2 ASN 31 9.822 2.465 -0.433 219 2HD2 ASN 31 2HD2 ASN 31 11.076 2.863 0.687 220 H SER 32 H SER 32 11.375 -2.704 -1.592 221 HA SER 32 HA SER 32 13.935 -2.618 -0.440 222 1HB SER 32 2HB SER 32 12.227 -4.841 -1.535 223 2HB SER 32 1HB SER 32 13.871 -5.165 -0.983 224 HG SER 32 HG SER 32 11.697 -4.974 0.485 225 H PHE 33 H PHE 33 12.861 -3.188 -3.745 226 HA PHE 33 HA PHE 33 15.254 -4.106 -4.842 227 1HB PHE 33 2HB PHE 33 13.941 -4.168 -6.658 228 2HB PHE 33 1HB PHE 33 12.713 -3.259 -5.799 229 HD1 PHE 33 1HD PHE 33 11.943 -1.341 -6.796 230 HD2 PHE 33 2HD PHE 33 15.896 -2.630 -7.644 231 HE1 PHE 33 1HE PHE 33 12.190 0.495 -8.394 232 HE2 PHE 33 2HE PHE 33 16.150 -0.795 -9.255 233 HZ PHE 33 HZ PHE 33 14.293 0.773 -9.631 234 H VAL 34 H VAL 34 14.144 -0.834 -4.162 235 HA VAL 34 HA VAL 34 16.216 0.625 -5.400 236 HB VAL 34 HB VAL 34 14.913 1.482 -2.836 237 1HG1 VAL 34 1HG1 VAL 34 16.730 2.821 -3.906 238 2HG1 VAL 34 2HG1 VAL 34 15.203 3.678 -3.686 239 3HG1 VAL 34 3HG1 VAL 34 15.652 3.069 -5.279 240 1HG2 VAL 34 1HG2 VAL 34 13.139 2.480 -4.398 241 2HG2 VAL 34 2HG2 VAL 34 13.030 0.763 -4.018 242 3HG2 VAL 34 3HG2 VAL 34 13.690 1.282 -5.568 243 H SER 35 H SER 35 15.850 -0.199 -1.976 244 HA SER 35 HA SER 35 18.393 0.644 -1.185 245 1HB SER 35 2HB SER 35 17.081 -1.731 0.095 246 2HB SER 35 1HB SER 35 17.987 -0.421 0.852 247 HG SER 35 HG SER 35 15.462 -0.549 0.813 248 H GLY 36 H GLY 36 17.274 -2.493 -2.377 249 1HA GLY 36 2HA GLY 36 19.624 -3.964 -1.994 250 2HA GLY 36 1HA GLY 36 18.416 -4.293 -3.227 251 H VAL 37 H VAL 37 18.602 -1.956 -4.739 252 HA VAL 37 HA VAL 37 21.009 -2.511 -6.236 253 HB VAL 37 HB VAL 37 20.189 -0.894 -7.852 254 1HG1 VAL 37 1HG1 VAL 37 19.170 -2.836 -8.401 255 2HG1 VAL 37 2HG1 VAL 37 17.726 -1.906 -7.998 256 3HG1 VAL 37 3HG1 VAL 37 18.416 -3.024 -6.817 257 1HG2 VAL 37 1HG2 VAL 37 18.220 0.431 -7.543 258 2HG2 VAL 37 2HG2 VAL 37 19.294 0.734 -6.178 259 3HG2 VAL 37 3HG2 VAL 37 17.892 -0.318 -5.982 260 H ALA 38 H ALA 38 19.877 -0.147 -3.965 261 HA ALA 38 HA ALA 38 21.840 1.849 -4.565 262 1HB ALA 38 1HB ALA 38 20.006 2.808 -3.604 263 2HB ALA 38 2HB ALA 38 21.017 2.610 -2.172 264 3HB ALA 38 3HB ALA 38 19.732 1.452 -2.511 265 H SER 39 H SER 39 21.727 -0.994 -2.578 266 HA SER 39 HA SER 39 23.882 -0.254 -0.840 267 1HB SER 39 2HB SER 39 21.976 -2.114 -0.617 268 2HB SER 39 1HB SER 39 23.245 -3.127 -1.304 269 HG SER 39 HG SER 39 23.156 -1.797 1.156 270 H GLY 40 H GLY 40 23.593 -2.372 -3.687 271 1HA GLY 40 2HA GLY 40 25.577 -2.021 -5.242 272 2HA GLY 40 1HA GLY 40 26.548 -2.423 -3.836 273 H ALA 41 H ALA 41 23.519 -3.932 -4.893 274 HA ALA 41 HA ALA 41 23.007 -6.080 -5.465 275 1HB ALA 41 1HB ALA 41 25.790 -5.858 -6.545 276 2HB ALA 41 2HB ALA 41 24.258 -5.826 -7.418 277 3HB ALA 41 3HB ALA 41 24.839 -7.333 -6.709 278 H GLY 42 H GLY 42 24.303 -5.438 -2.851 279 1HA GLY 42 2HA GLY 42 26.031 -7.422 -1.966 280 2HA GLY 42 1HA GLY 42 24.873 -6.585 -0.945 281 H SER 43 H SER 43 22.517 -7.409 -1.376 282 HA SER 43 HA SER 43 21.013 -9.096 -1.126 283 1HB SER 43 2HB SER 43 21.570 -9.785 -3.366 284 2HB SER 43 1HB SER 43 23.038 -10.588 -2.808 285 HG SER 43 HG SER 43 20.533 -11.545 -2.949 286 H ILE 44 H ILE 44 21.929 -8.815 1.151 287 HA ILE 44 HA ILE 44 23.242 -11.281 2.093 288 HB ILE 44 HB ILE 44 22.877 -8.696 3.612 289 1HG1 ILE 44 2HG1 ILE 44 25.502 -9.586 2.481 290 2HG1 ILE 44 1HG1 ILE 44 24.359 -8.757 1.429 291 1HG2 ILE 44 1HG2 ILE 44 23.463 -11.189 4.562 292 2HG2 ILE 44 2HG2 ILE 44 23.907 -9.672 5.345 293 3HG2 ILE 44 3HG2 ILE 44 25.068 -10.503 4.309 294 1HD1 ILE 44 1HD1 ILE 44 25.195 -6.854 2.179 295 2HD1 ILE 44 2HD1 ILE 44 26.128 -7.686 3.423 296 3HD1 ILE 44 3HD1 ILE 44 24.458 -7.214 3.740 297 H GLY 45 H GLY 45 20.563 -11.506 1.420 298 1HA GLY 45 2HA GLY 45 19.206 -11.584 4.056 299 2HA GLY 45 1HA GLY 45 18.374 -11.405 2.520 300 H ARG 46 H ARG 46 21.022 -13.652 3.000 301 HA ARG 46 HA ARG 46 19.108 -15.883 3.058 302 1HB ARG 46 2HB ARG 46 21.455 -15.555 1.188 303 2HB ARG 46 1HB ARG 46 20.688 -17.107 1.490 304 1HG ARG 46 2HG ARG 46 19.235 -14.693 0.433 305 2HG ARG 46 1HG ARG 46 19.925 -15.959 -0.581 306 1HD ARG 46 2HD ARG 46 18.042 -17.110 -0.345 307 2HD ARG 46 1HD ARG 46 18.395 -17.271 1.375 308 HE ARG 46 HE ARG 46 17.222 -14.781 1.013 309 1HH1 ARG 46 1HH1 ARG 46 16.347 -18.135 0.618 310 2HH1 ARG 46 2HH1 ARG 46 14.666 -17.864 0.927 311 1HH2 ARG 46 1HH2 ARG 46 15.007 -14.420 1.418 312 2HH2 ARG 46 2HH2 ARG 46 13.904 -15.755 1.380 313 H ARG 47 H ARG 47 20.443 -18.025 3.413 314 HA ARG 47 HA ARG 47 22.679 -17.564 5.252 315 1HB ARG 47 2HB ARG 47 20.277 -19.270 5.946 316 2HB ARG 47 1HB ARG 47 21.728 -19.090 6.919 317 1HG ARG 47 2HG ARG 47 21.200 -16.906 7.526 318 2HG ARG 47 1HG ARG 47 20.043 -16.720 6.212 319 1HD ARG 47 2HD ARG 47 18.657 -17.011 8.036 320 2HD ARG 47 1HD ARG 47 18.770 -18.645 7.384 321 HE ARG 47 HE ARG 47 20.793 -18.452 9.234 322 1HH1 ARG 47 1HH1 ARG 47 17.320 -18.110 9.263 323 2HH1 ARG 47 2HH1 ARG 47 17.157 -18.636 10.905 324 1HH2 ARG 47 1HH2 ARG 47 20.581 -19.145 11.391 325 2HH2 ARG 47 2HH2 ARG 47 19.008 -19.223 12.114 326 HA PRO 48 HA PRO 48 23.077 -21.353 2.485 327 1HB PRO 48 2HB PRO 48 24.910 -20.487 0.729 328 2HB PRO 48 1HB PRO 48 23.187 -20.154 0.506 329 1HG PRO 48 2HG PRO 48 25.334 -18.374 1.600 330 2HG PRO 48 1HG PRO 48 24.039 -17.987 0.451 331 1HD PRO 48 2HD PRO 48 23.918 -17.404 3.121 332 2HD PRO 48 1HD PRO 48 22.491 -17.694 2.112 Start of MODEL 8 1 H VAL 1 H VAL 1 -3.780 5.829 -3.596 2 HA VAL 1 HA VAL 1 -5.113 6.661 -1.673 3 HB VAL 1 HB VAL 1 -3.576 5.114 -0.871 4 1HG1 VAL 1 1HG1 VAL 1 -1.831 5.542 -2.534 5 2HG1 VAL 1 2HG1 VAL 1 -1.399 7.068 -1.726 6 3HG1 VAL 1 3HG1 VAL 1 -1.105 5.514 -0.910 7 1HG2 VAL 1 1HG2 VAL 1 -4.061 6.745 0.903 8 2HG2 VAL 1 2HG2 VAL 1 -2.384 6.167 1.050 9 3HG2 VAL 1 3HG2 VAL 1 -2.713 7.770 0.352 10 H ASN 2 H ASN 2 -4.039 8.965 -3.420 11 HA ASN 2 HA ASN 2 -3.178 10.906 -1.496 12 1HB ASN 2 2HB ASN 2 -4.078 11.417 -4.335 13 2HB ASN 2 1HB ASN 2 -3.108 12.482 -3.322 14 1HD2 ASN 2 1HD2 ASN 2 -3.105 9.771 -5.442 15 2HD2 ASN 2 2HD2 ASN 2 -1.395 9.519 -5.471 16 H TYR 3 H TYR 3 -5.166 10.409 -0.121 17 HA TYR 3 HA TYR 3 -7.669 11.505 -1.073 18 1HB TYR 3 2HB TYR 3 -6.747 9.992 1.269 19 2HB TYR 3 1HB TYR 3 -7.927 11.234 1.676 20 HD1 TYR 3 1HD TYR 3 -9.955 11.311 -0.114 21 HD2 TYR 3 2HD TYR 3 -7.602 7.896 0.824 22 HE1 TYR 3 1HE TYR 3 -11.764 9.855 -0.914 23 HE2 TYR 3 2HE TYR 3 -9.407 6.430 0.031 24 HH TYR 3 HH TYR 3 -11.994 7.530 -1.806 25 H GLY 4 H GLY 4 -6.528 13.628 -1.570 26 1HA GLY 4 2HA GLY 4 -6.575 15.368 0.837 27 2HA GLY 4 1HA GLY 4 -5.413 15.576 -0.462 28 H ASN 5 H ASN 5 -8.893 14.947 -0.647 29 HA ASN 5 HA ASN 5 -10.595 16.121 -1.569 30 1HB ASN 5 2HB ASN 5 -9.950 17.842 0.087 31 2HB ASN 5 1HB ASN 5 -8.833 18.539 -1.083 32 1HD2 ASN 5 1HD2 ASN 5 -9.575 20.022 -2.449 33 2HD2 ASN 5 2HD2 ASN 5 -11.239 20.432 -2.674 34 H GLY 6 H GLY 6 -9.005 14.860 -3.352 35 1HA GLY 6 2HA GLY 6 -9.615 16.029 -5.778 36 2HA GLY 6 1HA GLY 6 -7.991 16.574 -5.393 37 H VAL 7 H VAL 7 -9.767 13.499 -5.125 38 HA VAL 7 HA VAL 7 -7.414 12.069 -6.050 39 HB VAL 7 HB VAL 7 -8.629 11.150 -4.153 40 1HG1 VAL 7 1HG1 VAL 7 -10.944 10.981 -6.067 41 2HG1 VAL 7 2HG1 VAL 7 -10.854 11.902 -4.569 42 3HG1 VAL 7 3HG1 VAL 7 -10.882 10.139 -4.519 43 1HG2 VAL 7 1HG2 VAL 7 -7.460 9.713 -5.893 44 2HG2 VAL 7 2HG2 VAL 7 -9.070 9.307 -6.483 45 3HG2 VAL 7 3HG2 VAL 7 -8.608 8.898 -4.832 46 H SER 8 H SER 8 -10.686 12.816 -7.110 47 HA SER 8 HA SER 8 -11.695 12.718 -9.151 48 1HB SER 8 2HB SER 8 -9.436 13.732 -9.829 49 2HB SER 8 1HB SER 8 -9.008 12.112 -10.377 50 HG SER 8 HG SER 8 -10.152 13.800 -11.836 51 H CYS 9 H CYS 9 -12.953 10.906 -9.041 52 HA CYS 9 HA CYS 9 -11.721 8.296 -9.455 53 1HB CYS 9 2HB CYS 9 -14.250 9.267 -8.279 54 2HB CYS 9 1HB CYS 9 -14.368 7.745 -9.163 55 H SER 10 H SER 10 -13.111 6.736 -10.835 56 HA SER 10 HA SER 10 -13.967 8.117 -13.287 57 1HB SER 10 2HB SER 10 -12.938 5.908 -14.362 58 2HB SER 10 1HB SER 10 -11.959 7.346 -14.070 59 HG SER 10 HG SER 10 -10.783 6.085 -12.883 60 H LYS 11 H LYS 11 -15.524 6.915 -11.071 61 HA LYS 11 HA LYS 11 -17.401 5.515 -12.705 62 1HB LYS 11 2HB LYS 11 -15.479 3.875 -11.647 63 2HB LYS 11 1HB LYS 11 -16.750 3.762 -10.441 64 1HG LYS 11 2HG LYS 11 -18.310 2.970 -12.059 65 2HG LYS 11 1HG LYS 11 -17.198 3.324 -13.384 66 1HD LYS 11 2HD LYS 11 -15.739 1.586 -12.763 67 2HD LYS 11 1HD LYS 11 -16.498 1.405 -11.181 68 1HE LYS 11 2HE LYS 11 -18.037 0.922 -13.708 69 2HE LYS 11 1HE LYS 11 -17.018 -0.334 -13.008 70 1HZ LYS 11 1HZ LYS 11 -18.285 -0.170 -10.957 71 2HZ LYS 11 2HZ LYS 11 -19.301 -0.535 -12.258 72 3HZ LYS 11 3HZ LYS 11 -19.266 1.034 -11.631 73 H THR 12 H THR 12 -19.075 4.388 -10.974 74 HA THR 12 HA THR 12 -19.986 6.657 -9.408 75 HB THR 12 HB THR 12 -22.094 5.507 -9.244 76 HG1 THR 12 1HG THR 12 -22.284 3.416 -9.496 77 1HG2 THR 12 1HG2 THR 12 -21.809 6.545 -11.391 78 2HG2 THR 12 2HG2 THR 12 -22.653 5.008 -11.588 79 3HG2 THR 12 3HG2 THR 12 -20.943 5.132 -11.998 80 H LYS 13 H LYS 13 -19.060 3.270 -8.929 81 HA LYS 13 HA LYS 13 -19.483 3.432 -6.081 82 1HB LYS 13 2HB LYS 13 -18.095 1.256 -7.654 83 2HB LYS 13 1HB LYS 13 -18.691 1.140 -6.004 84 1HG LYS 13 2HG LYS 13 -20.972 1.349 -6.769 85 2HG LYS 13 1HG LYS 13 -20.421 1.594 -8.427 86 1HD LYS 13 2HD LYS 13 -21.134 -0.682 -8.199 87 2HD LYS 13 1HD LYS 13 -19.376 -0.669 -8.341 88 1HE LYS 13 2HE LYS 13 -19.155 -1.676 -6.371 89 2HE LYS 13 1HE LYS 13 -20.157 -0.458 -5.581 90 1HZ LYS 13 1HZ LYS 13 -21.501 -2.501 -7.187 91 2HZ LYS 13 2HZ LYS 13 -22.014 -1.729 -5.772 92 3HZ LYS 13 3HZ LYS 13 -20.871 -2.972 -5.688 93 H CYS 14 H CYS 14 -16.581 2.698 -8.026 94 HA CYS 14 HA CYS 14 -14.373 3.075 -7.636 95 1HB CYS 14 2HB CYS 14 -15.593 5.497 -7.510 96 2HB CYS 14 1HB CYS 14 -14.823 5.437 -5.931 97 H SER 15 H SER 15 -15.157 1.160 -6.057 98 HA SER 15 HA SER 15 -14.772 1.694 -3.268 99 1HB SER 15 2HB SER 15 -16.086 -0.256 -4.485 100 2HB SER 15 1HB SER 15 -14.514 -1.059 -4.417 101 HG SER 15 HG SER 15 -16.122 -1.245 -2.562 102 H VAL 16 H VAL 16 -13.114 -0.768 -2.871 103 HA VAL 16 HA VAL 16 -10.578 -0.246 -4.085 104 HB VAL 16 HB VAL 16 -10.619 1.605 -2.467 105 1HG1 VAL 16 1HG1 VAL 16 -10.943 1.338 -0.174 106 2HG1 VAL 16 2HG1 VAL 16 -10.679 -0.402 -0.241 107 3HG1 VAL 16 3HG1 VAL 16 -12.165 0.290 -0.897 108 1HG2 VAL 16 1HG2 VAL 16 -8.486 0.442 -2.983 109 2HG2 VAL 16 2HG2 VAL 16 -8.737 -0.577 -1.567 110 3HG2 VAL 16 3HG2 VAL 16 -8.512 1.161 -1.374 111 H ASN 17 H ASN 17 -10.063 -2.282 -4.434 112 HA ASN 17 HA ASN 17 -10.213 -4.186 -2.182 113 1HB ASN 17 2HB ASN 17 -10.649 -4.705 -5.137 114 2HB ASN 17 1HB ASN 17 -10.491 -5.970 -3.920 115 1HD2 ASN 17 1HD2 ASN 17 -12.609 -4.014 -5.573 116 2HD2 ASN 17 2HD2 ASN 17 -14.007 -4.233 -4.582 117 H TRP 18 H TRP 18 -8.492 -3.265 -5.153 118 HA TRP 18 HA TRP 18 -6.167 -4.835 -4.245 119 1HB TRP 18 2HB TRP 18 -7.204 -4.011 -6.877 120 2HB TRP 18 1HB TRP 18 -5.463 -3.792 -6.699 121 HD1 TRP 18 HD TRP 18 -3.975 -5.988 -6.333 122 HE1 TRP 18 1HE TRP 18 -4.452 -8.484 -6.739 123 HE3 TRP 18 3HE TRP 18 -9.050 -5.765 -6.872 124 HZ2 TRP 18 2HZ TRP 18 -6.685 -10.138 -7.232 125 HZ3 TRP 18 3HZ TRP 18 -10.283 -7.848 -7.307 126 HH2 TRP 18 HH TRP 18 -9.124 -9.989 -7.482 127 H GLY 19 H GLY 19 -6.908 -2.439 -2.892 128 1HA GLY 19 2HA GLY 19 -4.884 -0.472 -3.726 129 2HA GLY 19 1HA GLY 19 -6.183 -0.203 -2.571 130 H GLN 20 H GLN 20 -6.027 -1.871 -0.650 131 HA GLN 20 HA GLN 20 -3.679 -1.186 0.768 132 1HB GLN 20 2HB GLN 20 -5.840 -1.557 1.863 133 2HB GLN 20 1HB GLN 20 -5.789 -3.253 1.408 134 1HG GLN 20 2HG GLN 20 -4.915 -3.585 3.425 135 2HG GLN 20 1HG GLN 20 -3.423 -2.947 2.734 136 1HE2 GLN 20 1HE2 GLN 20 -5.394 -2.729 5.303 137 2HE2 GLN 20 2HE2 GLN 20 -5.074 -1.106 5.804 138 H ALA 21 H ALA 21 -4.691 -4.091 -0.929 139 HA ALA 21 HA ALA 21 -2.570 -5.755 -0.015 140 1HB ALA 21 1HB ALA 21 -4.031 -6.171 -2.598 141 2HB ALA 21 2HB ALA 21 -4.828 -6.424 -1.045 142 3HB ALA 21 3HB ALA 21 -3.403 -7.372 -1.467 143 H PHE 22 H PHE 22 -3.118 -4.471 -3.298 144 HA PHE 22 HA PHE 22 -0.678 -5.153 -4.360 145 1HB PHE 22 2HB PHE 22 -2.629 -4.148 -5.622 146 2HB PHE 22 1HB PHE 22 -2.079 -2.570 -5.061 147 HD1 PHE 22 1HD PHE 22 -1.023 -1.394 -6.654 148 HD2 PHE 22 2HD PHE 22 -0.389 -5.586 -6.456 149 HE1 PHE 22 1HE PHE 22 0.628 -1.219 -8.439 150 HE2 PHE 22 2HE PHE 22 1.266 -5.428 -8.245 151 HZ PHE 22 HZ PHE 22 1.779 -3.238 -9.264 152 H GLN 23 H GLN 23 -1.378 -2.317 -2.365 153 HA GLN 23 HA GLN 23 1.082 -1.020 -3.064 154 1HB GLN 23 2HB GLN 23 -1.182 -0.046 -2.088 155 2HB GLN 23 1HB GLN 23 -0.370 -0.321 -0.553 156 1HG GLN 23 2HG GLN 23 1.135 1.340 -0.900 157 2HG GLN 23 1HG GLN 23 1.150 1.113 -2.647 158 1HE2 GLN 23 1HE2 GLN 23 1.085 3.563 -2.346 159 2HE2 GLN 23 2HE2 GLN 23 -0.482 4.288 -2.345 160 H GLU 24 H GLU 24 -0.023 -3.080 -0.447 161 HA GLU 24 HA GLU 24 2.362 -2.781 1.120 162 1HB GLU 24 2HB GLU 24 -0.025 -3.520 1.863 163 2HB GLU 24 1HB GLU 24 0.475 -5.115 1.320 164 1HG GLU 24 2HG GLU 24 1.039 -5.244 3.516 165 2HG GLU 24 1HG GLU 24 2.550 -4.623 2.854 166 H ARG 25 H ARG 25 1.235 -4.829 -1.433 167 HA ARG 25 HA ARG 25 3.290 -6.816 -1.185 168 1HB ARG 25 2HB ARG 25 0.829 -6.599 -2.481 169 2HB ARG 25 1HB ARG 25 2.000 -6.623 -3.792 170 1HG ARG 25 2HG ARG 25 2.994 -8.669 -2.592 171 2HG ARG 25 1HG ARG 25 1.466 -8.709 -1.711 172 1HD ARG 25 2HD ARG 25 0.322 -8.687 -3.970 173 2HD ARG 25 1HD ARG 25 1.912 -8.984 -4.675 174 HE ARG 25 HE ARG 25 1.689 -11.166 -4.075 175 1HH1 ARG 25 1HH1 ARG 25 -0.404 -9.265 -2.028 176 2HH1 ARG 25 2HH1 ARG 25 -1.064 -10.641 -1.212 177 1HH2 ARG 25 1HH2 ARG 25 0.821 -12.977 -3.004 178 2HH2 ARG 25 2HH2 ARG 25 -0.369 -12.749 -1.766 179 H TYR 26 H TYR 26 2.560 -4.235 -3.522 180 HA TYR 26 HA TYR 26 5.000 -4.586 -4.965 181 1HB TYR 26 2HB TYR 26 3.989 -3.327 -6.510 182 2HB TYR 26 1HB TYR 26 2.575 -3.544 -5.495 183 HD1 TYR 26 1HD TYR 26 5.338 -1.159 -6.208 184 HD2 TYR 26 2HD TYR 26 1.486 -1.719 -4.600 185 HE1 TYR 26 1HE TYR 26 5.027 1.263 -6.070 186 HE2 TYR 26 2HE TYR 26 1.127 0.679 -4.474 187 HH TYR 26 HH TYR 26 2.643 2.727 -4.278 188 H THR 27 H THR 27 3.852 -1.809 -2.957 189 HA THR 27 HA THR 27 6.246 -0.383 -3.055 190 HB THR 27 HB THR 27 4.535 -0.384 -0.590 191 HG1 THR 27 1HG THR 27 2.887 0.251 -1.686 192 1HG2 THR 27 1HG2 THR 27 5.338 2.100 -1.948 193 2HG2 THR 27 2HG2 THR 27 6.626 1.169 -1.184 194 3HG2 THR 27 3HG2 THR 27 5.247 1.715 -0.229 195 H ALA 28 H ALA 28 5.530 -3.288 -1.363 196 HA ALA 28 HA ALA 28 7.637 -2.958 0.578 197 1HB ALA 28 1HB ALA 28 5.871 -5.267 -0.198 198 2HB ALA 28 2HB ALA 28 5.866 -4.336 1.299 199 3HB ALA 28 3HB ALA 28 7.192 -5.448 0.955 200 H GLY 29 H GLY 29 7.147 -4.895 -2.366 201 1HA GLY 29 2HA GLY 29 9.813 -5.950 -2.370 202 2HA GLY 29 1HA GLY 29 8.647 -6.058 -3.683 203 H ILE 30 H ILE 30 8.170 -3.393 -4.212 204 HA ILE 30 HA ILE 30 10.315 -2.735 -5.888 205 HB ILE 30 HB ILE 30 8.118 -0.914 -4.879 206 1HG1 ILE 30 2HG1 ILE 30 7.241 -2.906 -6.005 207 2HG1 ILE 30 1HG1 ILE 30 6.995 -1.473 -6.996 208 1HG2 ILE 30 1HG2 ILE 30 9.568 0.594 -5.807 209 2HG2 ILE 30 2HG2 ILE 30 8.657 0.121 -7.241 210 3HG2 ILE 30 3HG2 ILE 30 10.245 -0.582 -6.935 211 1HD1 ILE 30 1HD1 ILE 30 9.378 -2.345 -7.931 212 2HD1 ILE 30 2HD1 ILE 30 7.811 -2.751 -8.631 213 3HD1 ILE 30 3HD1 ILE 30 8.592 -3.866 -7.509 214 H ASN 31 H ASN 31 9.369 -1.409 -2.711 215 HA ASN 31 HA ASN 31 11.382 0.549 -2.581 216 1HB ASN 31 2HB ASN 31 9.375 0.355 -1.047 217 2HB ASN 31 1HB ASN 31 10.251 -0.918 -0.191 218 1HD2 ASN 31 1HD2 ASN 31 9.910 2.449 -0.732 219 2HD2 ASN 31 2HD2 ASN 31 11.105 2.981 0.397 220 H SER 32 H SER 32 11.378 -2.873 -1.727 221 HA SER 32 HA SER 32 13.912 -2.848 -0.444 222 1HB SER 32 2HB SER 32 12.614 -4.703 0.127 223 2HB SER 32 1HB SER 32 12.137 -5.006 -1.545 224 HG SER 32 HG SER 32 13.752 -6.328 -1.645 225 H PHE 33 H PHE 33 12.864 -3.417 -3.763 226 HA PHE 33 HA PHE 33 15.293 -4.346 -4.824 227 1HB PHE 33 2HB PHE 33 13.841 -4.548 -6.540 228 2HB PHE 33 1HB PHE 33 12.747 -3.359 -5.846 229 HD1 PHE 33 1HD PHE 33 12.919 -0.999 -6.463 230 HD2 PHE 33 2HD PHE 33 15.444 -3.927 -8.235 231 HE1 PHE 33 1HE PHE 33 13.532 0.605 -8.210 232 HE2 PHE 33 2HE PHE 33 16.058 -2.323 -10.000 233 HZ PHE 33 HZ PHE 33 15.101 -0.055 -9.989 234 H VAL 34 H VAL 34 14.129 -1.117 -4.120 235 HA VAL 34 HA VAL 34 16.150 0.299 -5.519 236 HB VAL 34 HB VAL 34 14.735 1.411 -3.129 237 1HG1 VAL 34 1HG1 VAL 34 16.528 2.626 -4.476 238 2HG1 VAL 34 2HG1 VAL 34 15.006 3.472 -4.193 239 3HG1 VAL 34 3HG1 VAL 34 15.322 2.721 -5.757 240 1HG2 VAL 34 1HG2 VAL 34 13.559 0.512 -5.685 241 2HG2 VAL 34 2HG2 VAL 34 13.061 2.097 -5.107 242 3HG2 VAL 34 3HG2 VAL 34 12.820 0.677 -4.093 243 H SER 35 H SER 35 15.690 -0.084 -2.029 244 HA SER 35 HA SER 35 18.036 0.992 -1.129 245 1HB SER 35 2HB SER 35 16.652 -1.468 -0.047 246 2HB SER 35 1HB SER 35 17.825 -0.487 0.833 247 HG SER 35 HG SER 35 15.607 0.042 1.292 248 H GLY 36 H GLY 36 17.553 -2.477 -1.809 249 1HA GLY 36 2HA GLY 36 20.207 -3.277 -1.432 250 2HA GLY 36 1HA GLY 36 19.038 -4.117 -2.440 251 H VAL 37 H VAL 37 18.555 -2.356 -4.436 252 HA VAL 37 HA VAL 37 20.825 -2.673 -6.101 253 HB VAL 37 HB VAL 37 18.250 -1.138 -6.466 254 1HG1 VAL 37 1HG1 VAL 37 20.411 -1.612 -8.515 255 2HG1 VAL 37 2HG1 VAL 37 19.960 -0.055 -7.822 256 3HG1 VAL 37 3HG1 VAL 37 18.817 -0.933 -8.837 257 1HG2 VAL 37 1HG2 VAL 37 18.278 -3.676 -6.364 258 2HG2 VAL 37 2HG2 VAL 37 19.172 -3.622 -7.882 259 3HG2 VAL 37 3HG2 VAL 37 17.543 -2.947 -7.795 260 H ALA 38 H ALA 38 19.807 -0.176 -3.943 261 HA ALA 38 HA ALA 38 21.290 1.949 -5.187 262 1HB ALA 38 1HB ALA 38 19.415 2.625 -3.944 263 2HB ALA 38 2HB ALA 38 20.808 3.104 -2.975 264 3HB ALA 38 3HB ALA 38 19.890 1.660 -2.547 265 H SER 39 H SER 39 21.970 -0.545 -2.865 266 HA SER 39 HA SER 39 24.255 0.701 -1.695 267 1HB SER 39 2HB SER 39 23.111 -1.026 -0.459 268 2HB SER 39 1HB SER 39 23.364 -2.190 -1.759 269 HG SER 39 HG SER 39 25.371 -0.975 -0.160 270 H GLY 40 H GLY 40 23.738 -1.429 -4.441 271 1HA GLY 40 2HA GLY 40 25.418 -1.034 -6.257 272 2HA GLY 40 1HA GLY 40 26.641 -1.283 -5.022 273 H ALA 41 H ALA 41 23.661 -3.016 -5.930 274 HA ALA 41 HA ALA 41 25.092 -5.551 -5.711 275 1HB ALA 41 1HB ALA 41 23.001 -6.592 -5.611 276 2HB ALA 41 2HB ALA 41 22.186 -5.235 -6.388 277 3HB ALA 41 3HB ALA 41 22.773 -5.080 -4.733 278 H GLY 42 H GLY 42 23.601 -3.490 -8.117 279 1HA GLY 42 2HA GLY 42 25.005 -4.779 -10.248 280 2HA GLY 42 1HA GLY 42 23.292 -5.178 -10.267 281 H SER 43 H SER 43 21.896 -3.090 -9.851 282 HA SER 43 HA SER 43 21.039 -1.234 -10.843 283 1HB SER 43 2HB SER 43 22.783 0.679 -11.062 284 2HB SER 43 1HB SER 43 22.405 0.057 -9.457 285 HG SER 43 HG SER 43 24.584 0.083 -9.542 286 H ILE 44 H ILE 44 21.106 -2.953 -12.743 287 HA ILE 44 HA ILE 44 21.615 -1.441 -15.101 288 HB ILE 44 HB ILE 44 23.906 -2.224 -14.695 289 1HG1 ILE 44 2HG1 ILE 44 23.113 -3.915 -16.994 290 2HG1 ILE 44 1HG1 ILE 44 22.573 -2.240 -17.047 291 1HG2 ILE 44 1HG2 ILE 44 24.001 -4.879 -15.261 292 2HG2 ILE 44 2HG2 ILE 44 22.532 -4.782 -14.289 293 3HG2 ILE 44 3HG2 ILE 44 24.061 -4.194 -13.637 294 1HD1 ILE 44 1HD1 ILE 44 25.415 -3.183 -16.756 295 2HD1 ILE 44 2HD1 ILE 44 24.890 -1.500 -16.764 296 3HD1 ILE 44 3HD1 ILE 44 24.678 -2.497 -18.204 297 H GLY 45 H GLY 45 19.268 -2.207 -14.514 298 1HA GLY 45 2HA GLY 45 18.737 -4.655 -16.106 299 2HA GLY 45 1HA GLY 45 17.826 -4.258 -14.654 300 H ARG 46 H ARG 46 17.589 -1.471 -15.107 301 HA ARG 46 HA ARG 46 16.600 -0.760 -17.613 302 1HB ARG 46 2HB ARG 46 14.901 -2.521 -17.113 303 2HB ARG 46 1HB ARG 46 14.407 -1.592 -15.705 304 1HG ARG 46 2HG ARG 46 13.197 -0.163 -16.923 305 2HG ARG 46 1HG ARG 46 14.422 -0.052 -18.189 306 1HD ARG 46 2HD ARG 46 12.650 -2.459 -17.858 307 2HD ARG 46 1HD ARG 46 12.181 -1.068 -18.835 308 HE ARG 46 HE ARG 46 14.020 -3.119 -19.551 309 1HH1 ARG 46 1HH1 ARG 46 13.351 0.282 -19.959 310 2HH1 ARG 46 2HH1 ARG 46 14.173 0.389 -21.479 311 1HH2 ARG 46 1HH2 ARG 46 15.096 -2.980 -21.552 312 2HH2 ARG 46 2HH2 ARG 46 15.163 -1.462 -22.384 313 H ARG 47 H ARG 47 17.424 1.228 -17.229 314 HA ARG 47 HA ARG 47 17.170 2.643 -14.814 315 1HB ARG 47 2HB ARG 47 18.034 3.310 -17.580 316 2HB ARG 47 1HB ARG 47 17.632 4.647 -16.512 317 1HG ARG 47 2HG ARG 47 19.271 3.862 -14.891 318 2HG ARG 47 1HG ARG 47 19.660 2.495 -15.940 319 1HD ARG 47 2HD ARG 47 21.324 4.203 -16.243 320 2HD ARG 47 1HD ARG 47 20.338 4.102 -17.700 321 HE ARG 47 HE ARG 47 19.687 6.257 -17.347 322 1HH1 ARG 47 1HH1 ARG 47 20.907 4.979 -14.337 323 2HH1 ARG 47 2HH1 ARG 47 20.809 6.495 -13.509 324 1HH2 ARG 47 1HH2 ARG 47 19.560 8.252 -16.260 325 2HH2 ARG 47 2HH2 ARG 47 20.044 8.354 -14.600 326 HA PRO 48 HA PRO 48 13.611 5.060 -17.287 327 1HB PRO 48 2HB PRO 48 12.544 2.604 -18.596 328 2HB PRO 48 1HB PRO 48 12.558 4.271 -19.180 329 1HG PRO 48 2HG PRO 48 14.266 2.478 -20.155 330 2HG PRO 48 1HG PRO 48 14.769 4.154 -19.866 331 1HD PRO 48 2HD PRO 48 15.381 1.695 -18.301 332 2HD PRO 48 1HD PRO 48 16.382 3.130 -18.590 Start of MODEL 9 1 H VAL 1 H VAL 1 -28.088 7.032 -4.856 2 HA VAL 1 HA VAL 1 -25.714 7.731 -5.077 3 HB VAL 1 HB VAL 1 -25.203 6.459 -7.003 4 1HG1 VAL 1 1HG1 VAL 1 -26.296 4.992 -5.501 5 2HG1 VAL 1 2HG1 VAL 1 -27.890 5.721 -5.809 6 3HG1 VAL 1 3HG1 VAL 1 -27.122 4.702 -7.050 7 1HG2 VAL 1 1HG2 VAL 1 -27.767 7.658 -8.027 8 2HG2 VAL 1 2HG2 VAL 1 -26.184 7.513 -8.828 9 3HG2 VAL 1 3HG2 VAL 1 -27.240 6.088 -8.681 10 H ASN 2 H ASN 2 -26.999 10.209 -5.130 11 HA ASN 2 HA ASN 2 -26.508 11.527 -7.636 12 1HB ASN 2 2HB ASN 2 -28.240 12.094 -5.768 13 2HB ASN 2 1HB ASN 2 -26.907 13.003 -5.054 14 1HD2 ASN 2 1HD2 ASN 2 -28.822 12.609 -7.988 15 2HD2 ASN 2 2HD2 ASN 2 -28.646 14.239 -8.533 16 H TYR 3 H TYR 3 -24.124 10.740 -7.603 17 HA TYR 3 HA TYR 3 -22.384 12.276 -5.881 18 1HB TYR 3 2HB TYR 3 -22.018 10.102 -7.867 19 2HB TYR 3 1HB TYR 3 -20.643 11.167 -7.577 20 HD1 TYR 3 1HD TYR 3 -23.262 9.600 -5.416 21 HD2 TYR 3 2HD TYR 3 -19.119 10.239 -6.105 22 HE1 TYR 3 1HE TYR 3 -22.744 8.370 -3.364 23 HE2 TYR 3 2HE TYR 3 -18.585 8.997 -4.055 24 HH TYR 3 HH TYR 3 -20.360 8.530 -1.691 25 H GLY 4 H GLY 4 -23.363 12.384 -9.274 26 1HA GLY 4 2HA GLY 4 -21.488 14.089 -10.334 27 2HA GLY 4 1HA GLY 4 -23.171 14.070 -10.832 28 H ASN 5 H ASN 5 -21.292 16.308 -10.656 29 HA ASN 5 HA ASN 5 -21.188 18.476 -10.003 30 1HB ASN 5 2HB ASN 5 -24.087 17.798 -9.885 31 2HB ASN 5 1HB ASN 5 -23.577 19.347 -9.227 32 1HD2 ASN 5 1HD2 ASN 5 -22.672 17.416 -12.073 33 2HD2 ASN 5 2HD2 ASN 5 -22.903 18.690 -13.217 34 H GLY 6 H GLY 6 -19.898 17.473 -8.118 35 1HA GLY 6 2HA GLY 6 -20.038 18.917 -5.879 36 2HA GLY 6 1HA GLY 6 -21.262 17.708 -5.544 37 H VAL 7 H VAL 7 -19.597 15.683 -7.050 38 HA VAL 7 HA VAL 7 -17.228 15.395 -5.385 39 HB VAL 7 HB VAL 7 -17.876 12.976 -4.882 40 1HG1 VAL 7 1HG1 VAL 7 -17.822 14.974 -3.268 41 2HG1 VAL 7 2HG1 VAL 7 -18.660 13.504 -2.769 42 3HG1 VAL 7 3HG1 VAL 7 -19.581 14.891 -3.346 43 1HG2 VAL 7 1HG2 VAL 7 -19.763 12.582 -6.181 44 2HG2 VAL 7 2HG2 VAL 7 -20.542 14.080 -5.685 45 3HG2 VAL 7 3HG2 VAL 7 -20.403 12.742 -4.548 46 H SER 8 H SER 8 -15.946 15.369 -7.130 47 HA SER 8 HA SER 8 -16.035 12.994 -8.817 48 1HB SER 8 2HB SER 8 -15.894 15.764 -10.039 49 2HB SER 8 1HB SER 8 -15.949 14.223 -10.894 50 HG SER 8 HG SER 8 -17.998 15.191 -10.858 51 H CYS 9 H CYS 9 -14.072 12.178 -8.549 52 HA CYS 9 HA CYS 9 -11.772 14.022 -8.524 53 1HB CYS 9 2HB CYS 9 -10.632 12.431 -7.050 54 2HB CYS 9 1HB CYS 9 -12.152 12.960 -6.338 55 H SER 10 H SER 10 -9.680 12.651 -9.021 56 HA SER 10 HA SER 10 -9.783 11.917 -11.701 57 1HB SER 10 2HB SER 10 -7.780 11.616 -9.519 58 2HB SER 10 1HB SER 10 -7.530 10.681 -10.994 59 HG SER 10 HG SER 10 -7.422 12.551 -12.160 60 H LYS 11 H LYS 11 -10.480 10.079 -8.879 61 HA LYS 11 HA LYS 11 -11.514 8.053 -8.666 62 1HB LYS 11 2HB LYS 11 -12.076 8.482 -11.258 63 2HB LYS 11 1HB LYS 11 -10.974 7.122 -11.430 64 1HG LYS 11 2HG LYS 11 -12.850 6.598 -9.332 65 2HG LYS 11 1HG LYS 11 -13.706 7.054 -10.805 66 1HD LYS 11 2HD LYS 11 -12.799 5.273 -12.019 67 2HD LYS 11 1HD LYS 11 -11.494 5.026 -10.856 68 1HE LYS 11 2HE LYS 11 -14.170 4.726 -9.712 69 2HE LYS 11 1HE LYS 11 -13.810 3.565 -10.989 70 1HZ LYS 11 1HZ LYS 11 -12.648 3.827 -8.336 71 2HZ LYS 11 2HZ LYS 11 -11.570 3.427 -9.578 72 3HZ LYS 11 3HZ LYS 11 -12.911 2.442 -9.273 73 H THR 12 H THR 12 -8.383 8.690 -9.418 74 HA THR 12 HA THR 12 -7.507 5.931 -9.410 75 HB THR 12 HB THR 12 -6.329 7.510 -10.876 76 HG1 THR 12 1HG THR 12 -4.994 5.931 -10.274 77 1HG2 THR 12 1HG2 THR 12 -5.161 8.861 -8.475 78 2HG2 THR 12 2HG2 THR 12 -6.573 9.501 -9.318 79 3HG2 THR 12 3HG2 THR 12 -5.043 9.314 -10.174 80 H LYS 13 H LYS 13 -6.766 8.816 -7.433 81 HA LYS 13 HA LYS 13 -5.914 7.158 -5.239 82 1HB LYS 13 2HB LYS 13 -5.375 9.252 -4.124 83 2HB LYS 13 1HB LYS 13 -4.719 9.226 -5.754 84 1HG LYS 13 2HG LYS 13 -7.371 10.403 -5.635 85 2HG LYS 13 1HG LYS 13 -6.201 11.241 -4.614 86 1HD LYS 13 2HD LYS 13 -5.474 10.515 -7.422 87 2HD LYS 13 1HD LYS 13 -6.480 11.933 -7.115 88 1HE LYS 13 2HE LYS 13 -4.531 13.013 -6.882 89 2HE LYS 13 1HE LYS 13 -4.485 12.262 -5.287 90 1HZ LYS 13 1HZ LYS 13 -3.409 10.329 -6.731 91 2HZ LYS 13 2HZ LYS 13 -2.488 11.571 -6.046 92 3HZ LYS 13 3HZ LYS 13 -2.935 11.651 -7.675 93 H CYS 14 H CYS 14 -8.906 7.389 -6.134 94 HA CYS 14 HA CYS 14 -9.988 8.299 -3.556 95 1HB CYS 14 2HB CYS 14 -11.168 8.012 -6.286 96 2HB CYS 14 1HB CYS 14 -12.224 7.924 -4.881 97 H SER 15 H SER 15 -11.041 7.013 -2.164 98 HA SER 15 HA SER 15 -11.722 5.124 -1.099 99 1HB SER 15 2HB SER 15 -13.103 5.082 -3.409 100 2HB SER 15 1HB SER 15 -12.172 3.598 -3.606 101 HG SER 15 HG SER 15 -14.331 4.013 -2.097 102 H VAL 16 H VAL 16 -11.347 2.508 -1.300 103 HA VAL 16 HA VAL 16 -8.805 1.801 -2.441 104 HB VAL 16 HB VAL 16 -8.972 1.781 0.575 105 1HG1 VAL 16 1HG1 VAL 16 -7.602 0.040 -0.607 106 2HG1 VAL 16 2HG1 VAL 16 -6.699 1.064 0.511 107 3HG1 VAL 16 3HG1 VAL 16 -6.597 1.349 -1.227 108 1HG2 VAL 16 1HG2 VAL 16 -7.460 3.677 -1.222 109 2HG2 VAL 16 2HG2 VAL 16 -7.269 3.563 0.527 110 3HG2 VAL 16 3HG2 VAL 16 -8.805 4.089 -0.160 111 H ASN 17 H ASN 17 -9.247 -0.124 -3.186 112 HA ASN 17 HA ASN 17 -10.526 -2.104 -1.425 113 1HB ASN 17 2HB ASN 17 -11.830 -1.102 -3.573 114 2HB ASN 17 1HB ASN 17 -10.922 -2.389 -4.361 115 1HD2 ASN 17 1HD2 ASN 17 -13.134 -3.128 -4.780 116 2HD2 ASN 17 2HD2 ASN 17 -13.898 -4.136 -3.604 117 H TRP 18 H TRP 18 -8.591 -1.597 -4.335 118 HA TRP 18 HA TRP 18 -7.005 -4.006 -3.638 119 1HB TRP 18 2HB TRP 18 -8.228 -3.187 -6.151 120 2HB TRP 18 1HB TRP 18 -6.479 -3.342 -6.330 121 HD1 TRP 18 HD TRP 18 -5.470 -5.801 -5.368 122 HE1 TRP 18 1HE TRP 18 -6.509 -8.143 -5.608 123 HE3 TRP 18 3HE TRP 18 -10.279 -4.450 -6.447 124 HZ2 TRP 18 2HZ TRP 18 -9.030 -9.269 -6.189 125 HZ3 TRP 18 3HZ TRP 18 -11.944 -6.219 -6.831 126 HH2 TRP 18 HH TRP 18 -11.331 -8.579 -6.705 127 H GLY 19 H GLY 19 -6.709 -1.318 -2.613 128 1HA GLY 19 2HA GLY 19 -4.207 -0.409 -3.905 129 2HA GLY 19 1HA GLY 19 -5.211 0.547 -2.819 130 H GLN 20 H GLN 20 -5.590 -1.248 -0.740 131 HA GLN 20 HA GLN 20 -3.185 -0.893 0.703 132 1HB GLN 20 2HB GLN 20 -5.663 -1.154 1.517 133 2HB GLN 20 1HB GLN 20 -5.280 -2.869 1.547 134 1HG GLN 20 2HG GLN 20 -3.192 -1.992 2.927 135 2HG GLN 20 1HG GLN 20 -4.304 -0.666 3.272 136 1HE2 GLN 20 1HE2 GLN 20 -6.575 -1.472 3.876 137 2HE2 GLN 20 2HE2 GLN 20 -6.629 -2.758 5.028 138 H ALA 21 H ALA 21 -4.678 -3.727 -0.795 139 HA ALA 21 HA ALA 21 -2.723 -5.609 0.025 140 1HB ALA 21 1HB ALA 21 -5.068 -6.051 -0.891 141 2HB ALA 21 2HB ALA 21 -3.775 -7.115 -1.442 142 3HB ALA 21 3HB ALA 21 -4.358 -5.822 -2.489 143 H PHE 22 H PHE 22 -3.243 -4.434 -3.298 144 HA PHE 22 HA PHE 22 -0.863 -5.311 -4.343 145 1HB PHE 22 2HB PHE 22 -2.728 -4.291 -5.683 146 2HB PHE 22 1HB PHE 22 -2.168 -2.706 -5.150 147 HD1 PHE 22 1HD PHE 22 -0.355 -5.733 -6.357 148 HD2 PHE 22 2HD PHE 22 -1.220 -1.613 -6.888 149 HE1 PHE 22 1HE PHE 22 1.293 -5.621 -8.154 150 HE2 PHE 22 2HE PHE 22 0.415 -1.492 -8.689 151 HZ PHE 22 HZ PHE 22 1.682 -3.499 -9.349 152 H GLN 23 H GLN 23 -1.382 -2.376 -2.440 153 HA GLN 23 HA GLN 23 1.125 -1.213 -3.200 154 1HB GLN 23 2HB GLN 23 -0.783 0.166 -2.391 155 2HB GLN 23 1HB GLN 23 -0.600 -0.554 -0.798 156 1HG GLN 23 2HG GLN 23 1.800 0.329 -0.875 157 2HG GLN 23 1HG GLN 23 1.253 1.318 -2.227 158 1HE2 GLN 23 1HE2 GLN 23 0.006 3.085 -1.844 159 2HE2 GLN 23 2HE2 GLN 23 -0.406 3.649 -0.263 160 H GLU 24 H GLU 24 -0.052 -2.896 -0.309 161 HA GLU 24 HA GLU 24 2.393 -2.801 1.105 162 1HB GLU 24 2HB GLU 24 -0.030 -3.423 1.899 163 2HB GLU 24 1HB GLU 24 0.440 -5.054 1.439 164 1HG GLU 24 2HG GLU 24 2.398 -3.667 3.102 165 2HG GLU 24 1HG GLU 24 0.838 -3.922 3.881 166 H ARG 25 H ARG 25 1.145 -4.803 -1.401 167 HA ARG 25 HA ARG 25 3.071 -6.917 -1.116 168 1HB ARG 25 2HB ARG 25 0.640 -6.418 -2.565 169 2HB ARG 25 1HB ARG 25 1.879 -6.941 -3.696 170 1HG ARG 25 2HG ARG 25 1.030 -8.411 -1.204 171 2HG ARG 25 1HG ARG 25 0.581 -8.825 -2.860 172 1HD ARG 25 2HD ARG 25 2.836 -9.365 -3.415 173 2HD ARG 25 1HD ARG 25 3.432 -8.707 -1.892 174 HE ARG 25 HE ARG 25 2.376 -11.322 -2.338 175 1HH1 ARG 25 1HH1 ARG 25 2.694 -8.799 0.053 176 2HH1 ARG 25 2HH1 ARG 25 2.579 -9.885 1.397 177 1HH2 ARG 25 1HH2 ARG 25 2.227 -12.752 -0.569 178 2HH2 ARG 25 2HH2 ARG 25 2.315 -12.127 1.044 179 H TYR 26 H TYR 26 2.470 -4.348 -3.516 180 HA TYR 26 HA TYR 26 4.932 -4.861 -4.918 181 1HB TYR 26 2HB TYR 26 4.047 -3.592 -6.537 182 2HB TYR 26 1HB TYR 26 2.572 -3.815 -5.618 183 HD1 TYR 26 1HD TYR 26 1.418 -1.991 -4.788 184 HD2 TYR 26 2HD TYR 26 5.331 -1.382 -6.193 185 HE1 TYR 26 1HE TYR 26 0.987 0.392 -4.741 186 HE2 TYR 26 2HE TYR 26 4.967 1.038 -6.111 187 HH TYR 26 HH TYR 26 2.774 2.538 -4.474 188 H THR 27 H THR 27 3.775 -1.998 -3.062 189 HA THR 27 HA THR 27 6.146 -0.569 -3.147 190 HB THR 27 HB THR 27 4.439 -0.566 -0.682 191 HG1 THR 27 1HG THR 27 3.560 1.076 -2.687 192 1HG2 THR 27 1HG2 THR 27 5.071 1.585 -0.387 193 2HG2 THR 27 2HG2 THR 27 5.221 1.898 -2.116 194 3HG2 THR 27 3HG2 THR 27 6.489 1.012 -1.267 195 H ALA 28 H ALA 28 5.407 -3.427 -1.357 196 HA ALA 28 HA ALA 28 7.496 -3.099 0.578 197 1HB ALA 28 1HB ALA 28 7.108 -5.656 0.820 198 2HB ALA 28 2HB ALA 28 5.722 -5.371 -0.231 199 3HB ALA 28 3HB ALA 28 5.837 -4.541 1.321 200 H GLY 29 H GLY 29 7.121 -5.132 -2.336 201 1HA GLY 29 2HA GLY 29 9.820 -6.068 -2.274 202 2HA GLY 29 1HA GLY 29 8.700 -6.217 -3.621 203 H ILE 30 H ILE 30 8.173 -3.512 -4.097 204 HA ILE 30 HA ILE 30 10.310 -2.829 -5.780 205 HB ILE 30 HB ILE 30 8.064 -1.080 -4.760 206 1HG1 ILE 30 2HG1 ILE 30 7.310 -3.084 -5.974 207 2HG1 ILE 30 1HG1 ILE 30 6.987 -1.616 -6.891 208 1HG2 ILE 30 1HG2 ILE 30 9.922 -0.664 -7.100 209 2HG2 ILE 30 2HG2 ILE 30 9.892 0.280 -5.611 210 3HG2 ILE 30 3HG2 ILE 30 8.518 0.330 -6.714 211 1HD1 ILE 30 1HD1 ILE 30 9.500 -2.451 -7.734 212 2HD1 ILE 30 2HD1 ILE 30 7.976 -2.576 -8.613 213 3HD1 ILE 30 3HD1 ILE 30 8.533 -3.921 -7.617 214 H ASN 31 H ASN 31 9.340 -1.479 -2.618 215 HA ASN 31 HA ASN 31 11.261 0.537 -2.481 216 1HB ASN 31 2HB ASN 31 9.324 0.205 -0.892 217 2HB ASN 31 1HB ASN 31 10.276 -1.058 -0.105 218 1HD2 ASN 31 1HD2 ASN 31 9.621 2.245 -0.318 219 2HD2 ASN 31 2HD2 ASN 31 10.870 2.813 0.732 220 H SER 32 H SER 32 11.439 -2.831 -1.349 221 HA SER 32 HA SER 32 14.040 -2.675 -0.314 222 1HB SER 32 2HB SER 32 12.501 -4.548 0.167 223 2HB SER 32 1HB SER 32 12.658 -5.098 -1.502 224 HG SER 32 HG SER 32 14.872 -4.795 0.238 225 H PHE 33 H PHE 33 12.878 -3.290 -3.578 226 HA PHE 33 HA PHE 33 15.266 -4.189 -4.720 227 1HB PHE 33 2HB PHE 33 13.886 -4.356 -6.472 228 2HB PHE 33 1HB PHE 33 12.672 -3.422 -5.617 229 HD1 PHE 33 1HD PHE 33 11.912 -1.452 -6.582 230 HD2 PHE 33 2HD PHE 33 15.736 -2.941 -7.687 231 HE1 PHE 33 1HE PHE 33 12.104 0.304 -8.271 232 HE2 PHE 33 2HE PHE 33 15.928 -1.183 -9.388 233 HZ PHE 33 HZ PHE 33 14.108 0.442 -9.681 234 H VAL 34 H VAL 34 14.094 -0.933 -4.070 235 HA VAL 34 HA VAL 34 16.078 0.530 -5.444 236 HB VAL 34 HB VAL 34 14.849 1.498 -2.890 237 1HG1 VAL 34 1HG1 VAL 34 15.181 3.611 -3.741 238 2HG1 VAL 34 2HG1 VAL 34 15.187 3.052 -5.414 239 3HG1 VAL 34 3HG1 VAL 34 16.578 2.740 -4.374 240 1HG2 VAL 34 1HG2 VAL 34 12.902 0.717 -3.845 241 2HG2 VAL 34 2HG2 VAL 34 13.489 0.949 -5.490 242 3HG2 VAL 34 3HG2 VAL 34 12.993 2.341 -4.530 243 H SER 35 H SER 35 15.855 -0.034 -1.947 244 HA SER 35 HA SER 35 18.389 0.917 -1.316 245 1HB SER 35 2HB SER 35 16.918 -1.333 0.063 246 2HB SER 35 1HB SER 35 18.203 -0.347 0.759 247 HG SER 35 HG SER 35 15.830 0.194 1.141 248 H GLY 36 H GLY 36 17.386 -2.299 -2.367 249 1HA GLY 36 2HA GLY 36 19.828 -3.632 -1.927 250 2HA GLY 36 1HA GLY 36 18.600 -4.113 -3.092 251 H VAL 37 H VAL 37 18.617 -1.826 -4.730 252 HA VAL 37 HA VAL 37 20.996 -2.363 -6.267 253 HB VAL 37 HB VAL 37 20.061 -0.870 -7.950 254 1HG1 VAL 37 1HG1 VAL 37 19.133 -2.884 -8.386 255 2HG1 VAL 37 2HG1 VAL 37 17.654 -2.016 -7.978 256 3HG1 VAL 37 3HG1 VAL 37 18.438 -3.040 -6.771 257 1HG2 VAL 37 1HG2 VAL 37 19.106 0.757 -6.275 258 2HG2 VAL 37 2HG2 VAL 37 17.745 -0.351 -6.098 259 3HG2 VAL 37 3HG2 VAL 37 18.077 0.394 -7.660 260 H ALA 38 H ALA 38 19.822 0.060 -4.094 261 HA ALA 38 HA ALA 38 21.742 2.064 -4.854 262 1HB ALA 38 1HB ALA 38 19.706 1.810 -2.669 263 2HB ALA 38 2HB ALA 38 19.736 2.926 -4.035 264 3HB ALA 38 3HB ALA 38 20.865 3.139 -2.697 265 H SER 39 H SER 39 21.699 -0.655 -2.737 266 HA SER 39 HA SER 39 23.717 0.274 -0.932 267 1HB SER 39 2HB SER 39 23.637 -1.892 0.036 268 2HB SER 39 1HB SER 39 21.984 -1.534 -0.466 269 HG SER 39 HG SER 39 22.071 -3.116 -1.851 270 H GLY 40 H GLY 40 23.696 -1.720 -3.859 271 1HA GLY 40 2HA GLY 40 26.323 -1.050 -4.574 272 2HA GLY 40 1HA GLY 40 26.372 -2.580 -3.718 273 H ALA 41 H ALA 41 24.030 -3.765 -4.614 274 HA ALA 41 HA ALA 41 24.158 -3.765 -7.536 275 1HB ALA 41 1HB ALA 41 25.075 -5.990 -5.792 276 2HB ALA 41 2HB ALA 41 25.684 -5.450 -7.356 277 3HB ALA 41 3HB ALA 41 24.199 -6.397 -7.266 278 H GLY 42 H GLY 42 22.764 -5.659 -4.833 279 1HA GLY 42 2HA GLY 42 20.570 -6.159 -4.340 280 2HA GLY 42 1HA GLY 42 20.113 -4.841 -5.400 281 H SER 43 H SER 43 21.872 -7.820 -6.168 282 HA SER 43 HA SER 43 19.974 -8.302 -8.328 283 1HB SER 43 2HB SER 43 21.711 -10.287 -8.665 284 2HB SER 43 1HB SER 43 22.067 -8.647 -9.205 285 HG SER 43 HG SER 43 23.790 -9.525 -7.996 286 H ILE 44 H ILE 44 20.910 -9.628 -5.236 287 HA ILE 44 HA ILE 44 18.583 -11.368 -5.279 288 HB ILE 44 HB ILE 44 19.912 -13.344 -4.494 289 1HG1 ILE 44 2HG1 ILE 44 21.976 -11.980 -3.966 290 2HG1 ILE 44 1HG1 ILE 44 22.267 -13.469 -4.856 291 1HG2 ILE 44 1HG2 ILE 44 20.561 -12.455 -7.298 292 2HG2 ILE 44 2HG2 ILE 44 19.007 -13.112 -6.788 293 3HG2 ILE 44 3HG2 ILE 44 20.456 -14.112 -6.702 294 1HD1 ILE 44 1HD1 ILE 44 23.406 -12.288 -6.335 295 2HD1 ILE 44 2HD1 ILE 44 22.950 -10.780 -5.542 296 3HD1 ILE 44 3HD1 ILE 44 21.910 -11.471 -6.788 297 H GLY 45 H GLY 45 18.393 -9.399 -3.741 298 1HA GLY 45 2HA GLY 45 19.642 -9.907 -1.136 299 2HA GLY 45 1HA GLY 45 18.743 -8.470 -1.596 300 H ARG 46 H ARG 46 16.399 -9.597 -2.566 301 HA ARG 46 HA ARG 46 15.305 -10.816 -0.119 302 1HB ARG 46 2HB ARG 46 14.280 -8.722 -1.957 303 2HB ARG 46 1HB ARG 46 13.101 -9.833 -1.276 304 1HG ARG 46 2HG ARG 46 15.031 -8.609 0.601 305 2HG ARG 46 1HG ARG 46 13.795 -7.556 -0.092 306 1HD ARG 46 2HD ARG 46 12.056 -8.756 0.862 307 2HD ARG 46 1HD ARG 46 13.038 -10.204 1.075 308 HE ARG 46 HE ARG 46 12.834 -7.956 2.867 309 1HH1 ARG 46 1HH1 ARG 46 14.760 -10.700 1.900 310 2HH1 ARG 46 2HH1 ARG 46 15.580 -10.818 3.419 311 1HH2 ARG 46 1HH2 ARG 46 13.912 -8.110 4.866 312 2HH2 ARG 46 2HH2 ARG 46 15.099 -9.349 5.104 313 H ARG 47 H ARG 47 15.423 -10.980 -3.610 314 HA ARG 47 HA ARG 47 13.607 -13.277 -3.651 315 1HB ARG 47 2HB ARG 47 14.800 -11.522 -5.782 316 2HB ARG 47 1HB ARG 47 14.071 -13.068 -6.189 317 1HG ARG 47 2HG ARG 47 12.089 -12.023 -4.723 318 2HG ARG 47 1HG ARG 47 12.812 -10.538 -5.347 319 1HD ARG 47 2HD ARG 47 12.760 -11.952 -7.607 320 2HD ARG 47 1HD ARG 47 11.409 -12.723 -6.779 321 HE ARG 47 HE ARG 47 10.176 -10.871 -7.244 322 1HH1 ARG 47 1HH1 ARG 47 13.538 -9.939 -7.227 323 2HH1 ARG 47 2HH1 ARG 47 13.217 -8.309 -7.717 324 1HH2 ARG 47 1HH2 ARG 47 9.754 -8.730 -7.893 325 2HH2 ARG 47 2HH2 ARG 47 11.070 -7.623 -8.095 326 HA PRO 48 HA PRO 48 17.354 -15.820 -3.289 327 1HB PRO 48 2HB PRO 48 15.352 -17.954 -3.781 328 2HB PRO 48 1HB PRO 48 16.559 -17.818 -2.497 329 1HG PRO 48 2HG PRO 48 13.971 -17.392 -2.002 330 2HG PRO 48 1HG PRO 48 15.230 -16.424 -1.213 331 1HD PRO 48 2HD PRO 48 13.427 -15.707 -3.486 332 2HD PRO 48 1HD PRO 48 14.011 -14.703 -2.138 Start of MODEL 10 1 H VAL 1 H VAL 1 -27.826 14.602 11.411 2 HA VAL 1 HA VAL 1 -25.700 14.917 10.165 3 HB VAL 1 HB VAL 1 -26.967 17.374 11.423 4 1HG1 VAL 1 1HG1 VAL 1 -24.964 17.180 9.132 5 2HG1 VAL 1 2HG1 VAL 1 -25.833 18.654 9.625 6 3HG1 VAL 1 3HG1 VAL 1 -24.656 17.903 10.729 7 1HG2 VAL 1 1HG2 VAL 1 -28.048 17.548 9.222 8 2HG2 VAL 1 2HG2 VAL 1 -27.151 16.121 8.650 9 3HG2 VAL 1 3HG2 VAL 1 -28.371 15.949 9.935 10 H ASN 2 H ASN 2 -25.285 14.409 13.233 11 HA ASN 2 HA ASN 2 -23.128 16.179 13.927 12 1HB ASN 2 2HB ASN 2 -22.904 14.762 15.922 13 2HB ASN 2 1HB ASN 2 -24.591 15.199 15.642 14 1HD2 ASN 2 1HD2 ASN 2 -23.570 12.981 17.158 15 2HD2 ASN 2 2HD2 ASN 2 -24.172 11.544 16.410 16 H TYR 3 H TYR 3 -21.144 16.051 13.126 17 HA TYR 3 HA TYR 3 -20.178 13.606 11.911 18 1HB TYR 3 2HB TYR 3 -19.342 16.437 11.954 19 2HB TYR 3 1HB TYR 3 -18.029 15.266 11.858 20 HD1 TYR 3 1HD TYR 3 -21.248 16.199 10.246 21 HD2 TYR 3 2HD TYR 3 -17.475 14.292 9.819 22 HE1 TYR 3 1HE TYR 3 -21.676 15.906 7.848 23 HE2 TYR 3 2HE TYR 3 -17.886 13.998 7.415 24 HH TYR 3 HH TYR 3 -19.233 14.930 5.648 25 H GLY 4 H GLY 4 -17.770 13.062 12.411 26 1HA GLY 4 2HA GLY 4 -16.451 13.485 14.744 27 2HA GLY 4 1HA GLY 4 -17.671 12.295 15.197 28 H ASN 5 H ASN 5 -15.882 10.852 15.664 29 HA ASN 5 HA ASN 5 -14.141 9.983 13.540 30 1HB ASN 5 2HB ASN 5 -13.557 8.160 15.228 31 2HB ASN 5 1HB ASN 5 -13.241 9.818 15.736 32 1HD2 ASN 5 1HD2 ASN 5 -13.980 10.393 17.660 33 2HD2 ASN 5 2HD2 ASN 5 -15.218 9.585 18.554 34 H GLY 6 H GLY 6 -17.108 8.813 15.034 35 1HA GLY 6 2HA GLY 6 -17.150 6.237 13.936 36 2HA GLY 6 1HA GLY 6 -18.563 7.150 14.429 37 H VAL 7 H VAL 7 -17.955 9.317 12.439 38 HA VAL 7 HA VAL 7 -19.241 8.001 10.186 39 HB VAL 7 HB VAL 7 -19.373 10.337 9.239 40 1HG1 VAL 7 1HG1 VAL 7 -20.622 10.321 11.951 41 2HG1 VAL 7 2HG1 VAL 7 -21.098 9.116 10.752 42 3HG1 VAL 7 3HG1 VAL 7 -21.299 10.833 10.408 43 1HG2 VAL 7 1HG2 VAL 7 -18.457 12.120 10.251 44 2HG2 VAL 7 2HG2 VAL 7 -17.439 10.933 11.060 45 3HG2 VAL 7 3HG2 VAL 7 -18.883 11.547 11.862 46 H SER 8 H SER 8 -17.462 6.757 9.425 47 HA SER 8 HA SER 8 -15.584 8.336 7.795 48 1HB SER 8 2HB SER 8 -14.285 7.706 9.719 49 2HB SER 8 1HB SER 8 -14.858 6.041 9.628 50 HG SER 8 HG SER 8 -12.878 6.049 8.677 51 H CYS 9 H CYS 9 -17.284 7.703 6.218 52 HA CYS 9 HA CYS 9 -16.370 5.507 4.654 53 1HB CYS 9 2HB CYS 9 -17.729 4.248 6.277 54 2HB CYS 9 1HB CYS 9 -19.115 5.267 5.916 55 H SER 10 H SER 10 -16.149 7.337 3.257 56 HA SER 10 HA SER 10 -18.407 8.876 2.435 57 1HB SER 10 2HB SER 10 -15.800 8.503 0.937 58 2HB SER 10 1HB SER 10 -16.939 9.840 0.783 59 HG SER 10 HG SER 10 -15.314 9.209 3.018 60 H LYS 11 H LYS 11 -18.157 8.879 -0.366 61 HA LYS 11 HA LYS 11 -19.677 6.520 -0.993 62 1HB LYS 11 2HB LYS 11 -18.770 8.908 -2.593 63 2HB LYS 11 1HB LYS 11 -19.536 7.526 -3.366 64 1HG LYS 11 2HG LYS 11 -20.875 8.822 -1.043 65 2HG LYS 11 1HG LYS 11 -20.948 9.589 -2.630 66 1HD LYS 11 2HD LYS 11 -21.709 6.713 -2.147 67 2HD LYS 11 1HD LYS 11 -22.865 8.046 -2.075 68 1HE LYS 11 2HE LYS 11 -21.933 8.632 -4.429 69 2HE LYS 11 1HE LYS 11 -21.360 6.965 -4.426 70 1HZ LYS 11 1HZ LYS 11 -23.670 6.270 -3.966 71 2HZ LYS 11 2HZ LYS 11 -23.500 7.055 -5.455 72 3HZ LYS 11 3HZ LYS 11 -24.172 7.878 -4.138 73 H THR 12 H THR 12 -16.544 7.882 -1.983 74 HA THR 12 HA THR 12 -15.820 5.382 -3.281 75 HB THR 12 HB THR 12 -14.132 7.864 -2.955 76 HG1 THR 12 1HG THR 12 -15.127 8.697 -4.607 77 1HG2 THR 12 1HG2 THR 12 -13.828 6.181 -5.326 78 2HG2 THR 12 2HG2 THR 12 -13.331 5.427 -3.811 79 3HG2 THR 12 3HG2 THR 12 -12.612 6.958 -4.313 80 H LYS 13 H LYS 13 -14.632 7.410 -0.601 81 HA LYS 13 HA LYS 13 -12.693 5.422 0.179 82 1HB LYS 13 2HB LYS 13 -13.574 7.853 1.744 83 2HB LYS 13 1HB LYS 13 -12.081 6.944 1.939 84 1HG LYS 13 2HG LYS 13 -11.470 7.638 -0.395 85 2HG LYS 13 1HG LYS 13 -12.867 8.714 -0.361 86 1HD LYS 13 2HD LYS 13 -11.208 10.148 0.327 87 2HD LYS 13 1HD LYS 13 -11.779 9.542 1.883 88 1HE LYS 13 2HE LYS 13 -9.965 7.850 1.831 89 2HE LYS 13 1HE LYS 13 -9.367 8.582 0.343 90 1HZ LYS 13 1HZ LYS 13 -9.389 9.713 3.072 91 2HZ LYS 13 2HZ LYS 13 -9.267 10.718 1.717 92 3HZ LYS 13 3HZ LYS 13 -8.085 9.543 2.005 93 H CYS 14 H CYS 14 -13.208 3.643 1.245 94 HA CYS 14 HA CYS 14 -14.310 3.439 3.716 95 1HB CYS 14 2HB CYS 14 -16.363 4.401 2.767 96 2HB CYS 14 1HB CYS 14 -16.503 3.021 1.682 97 H SER 15 H SER 15 -14.548 1.809 0.543 98 HA SER 15 HA SER 15 -13.371 -0.573 1.795 99 1HB SER 15 2HB SER 15 -14.967 -2.003 0.411 100 2HB SER 15 1HB SER 15 -15.656 -1.198 1.818 101 HG SER 15 HG SER 15 -16.690 -1.091 -0.461 102 H VAL 16 H VAL 16 -11.768 -1.380 0.654 103 HA VAL 16 HA VAL 16 -11.704 -1.412 -2.212 104 HB VAL 16 HB VAL 16 -11.064 0.917 -1.898 105 1HG1 VAL 16 1HG1 VAL 16 -9.615 1.688 -0.362 106 2HG1 VAL 16 2HG1 VAL 16 -8.531 0.305 -0.533 107 3HG1 VAL 16 3HG1 VAL 16 -9.989 0.168 0.449 108 1HG2 VAL 16 1HG2 VAL 16 -10.006 -0.266 -3.731 109 2HG2 VAL 16 2HG2 VAL 16 -8.723 -0.837 -2.662 110 3HG2 VAL 16 3HG2 VAL 16 -8.870 0.884 -3.026 111 H ASN 17 H ASN 17 -11.386 -3.644 -1.783 112 HA ASN 17 HA ASN 17 -9.306 -4.658 -0.171 113 1HB ASN 17 2HB ASN 17 -11.385 -5.862 -1.200 114 2HB ASN 17 1HB ASN 17 -10.320 -6.148 -2.576 115 1HD2 ASN 17 1HD2 ASN 17 -10.146 -6.319 0.974 116 2HD2 ASN 17 2HD2 ASN 17 -9.365 -7.859 1.028 117 H TRP 18 H TRP 18 -9.405 -3.581 -3.501 118 HA TRP 18 HA TRP 18 -6.746 -4.633 -4.083 119 1HB TRP 18 2HB TRP 18 -9.008 -3.772 -5.630 120 2HB TRP 18 1HB TRP 18 -7.592 -2.850 -6.130 121 HD1 TRP 18 HD TRP 18 -5.299 -4.734 -6.299 122 HE1 TRP 18 1HE TRP 18 -5.293 -6.891 -7.703 123 HE3 TRP 18 3HE TRP 18 -10.343 -5.398 -6.790 124 HZ2 TRP 18 2HZ TRP 18 -7.177 -8.634 -8.872 125 HZ3 TRP 18 3HZ TRP 18 -11.160 -7.333 -8.071 126 HH2 TRP 18 HH TRP 18 -9.607 -8.917 -9.090 127 H GLY 19 H GLY 19 -7.123 -2.506 -1.985 128 1HA GLY 19 2HA GLY 19 -5.657 -0.266 -3.239 129 2HA GLY 19 1HA GLY 19 -6.547 -0.183 -1.727 130 H GLN 20 H GLN 20 -5.659 -1.253 0.141 131 HA GLN 20 HA GLN 20 -2.918 -0.720 0.485 132 1HB GLN 20 2HB GLN 20 -3.211 -1.827 2.694 133 2HB GLN 20 1HB GLN 20 -4.422 -0.598 2.361 134 1HG GLN 20 2HG GLN 20 -5.967 -2.095 2.879 135 2HG GLN 20 1HG GLN 20 -5.533 -2.965 1.406 136 1HE2 GLN 20 1HE2 GLN 20 -3.786 -2.530 4.455 137 2HE2 GLN 20 2HE2 GLN 20 -3.648 -4.213 4.818 138 H ALA 21 H ALA 21 -4.615 -3.580 -0.507 139 HA ALA 21 HA ALA 21 -2.710 -5.535 0.144 140 1HB ALA 21 1HB ALA 21 -4.999 -6.060 -0.569 141 2HB ALA 21 2HB ALA 21 -3.803 -6.913 -1.543 142 3HB ALA 21 3HB ALA 21 -4.618 -5.491 -2.194 143 H PHE 22 H PHE 22 -3.300 -4.349 -3.154 144 HA PHE 22 HA PHE 22 -0.955 -5.320 -4.229 145 1HB PHE 22 2HB PHE 22 -2.846 -4.319 -5.563 146 2HB PHE 22 1HB PHE 22 -2.218 -2.727 -5.133 147 HD1 PHE 22 1HD PHE 22 -1.164 -1.748 -6.871 148 HD2 PHE 22 2HD PHE 22 -0.636 -5.912 -6.251 149 HE1 PHE 22 1HE PHE 22 0.468 -1.803 -8.680 150 HE2 PHE 22 2HE PHE 22 1.000 -5.980 -8.061 151 HZ PHE 22 HZ PHE 22 1.555 -3.923 -9.304 152 H GLN 23 H GLN 23 -1.422 -2.272 -2.484 153 HA GLN 23 HA GLN 23 1.117 -1.216 -3.303 154 1HB GLN 23 2HB GLN 23 -0.845 0.180 -2.568 155 2HB GLN 23 1HB GLN 23 -0.531 -0.353 -0.922 156 1HG GLN 23 2HG GLN 23 1.802 0.584 -1.207 157 2HG GLN 23 1HG GLN 23 1.213 1.339 -2.686 158 1HE2 GLN 23 1HE2 GLN 23 1.505 1.605 0.658 159 2HE2 GLN 23 2HE2 GLN 23 0.511 2.999 0.887 160 H GLU 24 H GLU 24 -0.105 -2.816 -0.394 161 HA GLU 24 HA GLU 24 2.287 -2.640 1.108 162 1HB GLU 24 2HB GLU 24 -0.020 -3.199 1.990 163 2HB GLU 24 1HB GLU 24 0.186 -4.803 1.304 164 1HG GLU 24 2HG GLU 24 2.387 -3.928 3.022 165 2HG GLU 24 1HG GLU 24 0.834 -4.095 3.841 166 H ARG 25 H ARG 25 1.076 -4.854 -1.282 167 HA ARG 25 HA ARG 25 3.086 -6.857 -0.923 168 1HB ARG 25 2HB ARG 25 0.630 -6.451 -2.400 169 2HB ARG 25 1HB ARG 25 1.872 -7.113 -3.454 170 1HG ARG 25 2HG ARG 25 0.974 -9.036 -2.643 171 2HG ARG 25 1HG ARG 25 2.233 -8.764 -1.438 172 1HD ARG 25 2HD ARG 25 0.735 -8.522 0.197 173 2HD ARG 25 1HD ARG 25 -0.225 -7.393 -0.757 174 HE ARG 25 HE ARG 25 -1.683 -9.097 -1.125 175 1HH1 ARG 25 1HH1 ARG 25 1.457 -10.496 -0.519 176 2HH1 ARG 25 2HH1 ARG 25 0.886 -12.128 -0.615 177 1HH2 ARG 25 1HH2 ARG 25 -2.435 -11.243 -1.248 178 2HH2 ARG 25 2HH2 ARG 25 -1.322 -12.552 -1.028 179 H TYR 26 H TYR 26 2.340 -4.530 -3.505 180 HA TYR 26 HA TYR 26 4.715 -5.078 -4.981 181 1HB TYR 26 2HB TYR 26 3.658 -3.976 -6.599 182 2HB TYR 26 1HB TYR 26 2.296 -3.985 -5.494 183 HD1 TYR 26 1HD TYR 26 5.167 -1.864 -6.559 184 HD2 TYR 26 2HD TYR 26 1.323 -1.987 -4.831 185 HE1 TYR 26 1HE TYR 26 5.000 0.573 -6.695 186 HE2 TYR 26 2HE TYR 26 1.111 0.411 -4.975 187 HH TYR 26 HH TYR 26 3.618 2.418 -5.349 188 H THR 27 H THR 27 3.723 -2.084 -3.237 189 HA THR 27 HA THR 27 6.090 -0.698 -3.580 190 HB THR 27 HB THR 27 4.540 -0.544 -1.013 191 HG1 THR 27 1HG THR 27 3.605 1.093 -2.963 192 1HG2 THR 27 1HG2 THR 27 6.333 1.237 -2.508 193 2HG2 THR 27 2HG2 THR 27 6.016 1.128 -0.778 194 3HG2 THR 27 3HG2 THR 27 4.892 1.992 -1.828 195 H ALA 28 H ALA 28 5.350 -3.241 -1.310 196 HA ALA 28 HA ALA 28 7.613 -2.916 0.359 197 1HB ALA 28 1HB ALA 28 7.168 -5.313 0.974 198 2HB ALA 28 2HB ALA 28 5.884 -5.315 -0.235 199 3HB ALA 28 3HB ALA 28 5.786 -4.232 1.153 200 H GLY 29 H GLY 29 7.016 -4.997 -2.469 201 1HA GLY 29 2HA GLY 29 9.596 -6.187 -2.462 202 2HA GLY 29 1HA GLY 29 8.467 -6.182 -3.812 203 H ILE 30 H ILE 30 8.221 -3.521 -4.382 204 HA ILE 30 HA ILE 30 10.564 -3.027 -5.876 205 HB ILE 30 HB ILE 30 8.314 -2.215 -6.530 206 1HG1 ILE 30 2HG1 ILE 30 10.159 0.149 -6.238 207 2HG1 ILE 30 1HG1 ILE 30 10.547 -1.197 -7.306 208 1HG2 ILE 30 1HG2 ILE 30 7.858 -1.429 -4.098 209 2HG2 ILE 30 2HG2 ILE 30 7.172 -0.529 -5.451 210 3HG2 ILE 30 3HG2 ILE 30 8.615 0.071 -4.634 211 1HD1 ILE 30 1HD1 ILE 30 7.901 0.148 -7.550 212 2HD1 ILE 30 2HD1 ILE 30 8.854 -0.694 -8.771 213 3HD1 ILE 30 3HD1 ILE 30 9.339 0.911 -8.228 214 H ASN 31 H ASN 31 9.394 -1.828 -2.774 215 HA ASN 31 HA ASN 31 11.207 0.268 -2.399 216 1HB ASN 31 2HB ASN 31 9.596 -1.472 -0.581 217 2HB ASN 31 1HB ASN 31 10.895 -0.526 0.134 218 1HD2 ASN 31 1HD2 ASN 31 8.183 -0.146 0.711 219 2HD2 ASN 31 2HD2 ASN 31 7.725 1.423 0.155 220 H SER 32 H SER 32 11.510 -3.196 -1.759 221 HA SER 32 HA SER 32 14.032 -3.040 -0.490 222 1HB SER 32 2HB SER 32 12.753 -5.021 -0.135 223 2HB SER 32 1HB SER 32 12.595 -5.312 -1.869 224 HG SER 32 HG SER 32 14.983 -5.439 -0.339 225 H PHE 33 H PHE 33 13.072 -3.377 -3.861 226 HA PHE 33 HA PHE 33 15.562 -4.058 -4.954 227 1HB PHE 33 2HB PHE 33 14.201 -4.136 -6.741 228 2HB PHE 33 1HB PHE 33 12.984 -3.166 -5.923 229 HD1 PHE 33 1HD PHE 33 15.899 -3.066 -8.157 230 HD2 PHE 33 2HD PHE 33 12.754 -0.808 -6.401 231 HE1 PHE 33 1HE PHE 33 16.358 -1.214 -9.706 232 HE2 PHE 33 2HE PHE 33 13.209 1.036 -7.942 233 HZ PHE 33 HZ PHE 33 15.010 0.838 -9.603 234 H VAL 34 H VAL 34 14.167 -0.964 -4.061 235 HA VAL 34 HA VAL 34 16.120 0.710 -5.207 236 HB VAL 34 HB VAL 34 14.669 1.399 -2.677 237 1HG1 VAL 34 1HG1 VAL 34 16.407 2.888 -3.795 238 2HG1 VAL 34 2HG1 VAL 34 14.844 3.610 -3.414 239 3HG1 VAL 34 3HG1 VAL 34 15.211 3.123 -5.069 240 1HG2 VAL 34 1HG2 VAL 34 12.891 0.525 -3.913 241 2HG2 VAL 34 2HG2 VAL 34 13.545 1.101 -5.445 242 3HG2 VAL 34 3HG2 VAL 34 12.854 2.246 -4.296 243 H SER 35 H SER 35 15.728 -0.167 -1.806 244 HA SER 35 HA SER 35 18.080 0.878 -0.833 245 1HB SER 35 2HB SER 35 16.732 -1.686 0.023 246 2HB SER 35 1HB SER 35 17.922 -0.796 0.970 247 HG SER 35 HG SER 35 15.284 -0.398 0.806 248 H GLY 36 H GLY 36 17.604 -2.503 -1.898 249 1HA GLY 36 2HA GLY 36 20.266 -3.325 -1.616 250 2HA GLY 36 1HA GLY 36 19.097 -4.060 -2.704 251 H VAL 37 H VAL 37 18.607 -2.201 -4.558 252 HA VAL 37 HA VAL 37 20.924 -2.286 -6.184 253 HB VAL 37 HB VAL 37 18.289 -0.839 -6.488 254 1HG1 VAL 37 1HG1 VAL 37 18.842 -0.276 -8.741 255 2HG1 VAL 37 2HG1 VAL 37 20.395 -1.105 -8.626 256 3HG1 VAL 37 3HG1 VAL 37 20.110 0.370 -7.702 257 1HG2 VAL 37 1HG2 VAL 37 18.080 -2.567 -8.350 258 2HG2 VAL 37 2HG2 VAL 37 17.965 -3.154 -6.694 259 3HG2 VAL 37 3HG2 VAL 37 19.459 -3.367 -7.601 260 H ALA 38 H ALA 38 19.782 -0.032 -3.831 261 HA ALA 38 HA ALA 38 21.109 2.287 -4.824 262 1HB ALA 38 1HB ALA 38 19.504 2.897 -3.328 263 2HB ALA 38 2HB ALA 38 20.897 2.869 -2.246 264 3HB ALA 38 3HB ALA 38 19.786 1.502 -2.288 265 H SER 39 H SER 39 22.036 -0.415 -2.807 266 HA SER 39 HA SER 39 24.470 0.732 -1.852 267 1HB SER 39 2HB SER 39 24.984 -1.506 -1.040 268 2HB SER 39 1HB SER 39 23.299 -1.123 -0.688 269 HG SER 39 HG SER 39 23.549 -3.226 -1.565 270 H GLY 40 H GLY 40 23.533 -1.127 -4.663 271 1HA GLY 40 2HA GLY 40 25.078 -0.577 -6.601 272 2HA GLY 40 1HA GLY 40 26.356 -1.173 -5.554 273 H ALA 41 H ALA 41 24.453 -3.285 -4.515 274 HA ALA 41 HA ALA 41 23.617 -4.951 -6.605 275 1HB ALA 41 1HB ALA 41 25.895 -5.126 -7.290 276 2HB ALA 41 2HB ALA 41 25.447 -6.651 -6.525 277 3HB ALA 41 3HB ALA 41 26.422 -5.475 -5.644 278 H GLY 42 H GLY 42 25.609 -5.728 -3.750 279 1HA GLY 42 2HA GLY 42 23.303 -6.467 -2.187 280 2HA GLY 42 1HA GLY 42 24.204 -7.850 -2.788 281 H SER 43 H SER 43 25.352 -4.700 -1.624 282 HA SER 43 HA SER 43 26.747 -4.112 0.070 283 1HB SER 43 2HB SER 43 25.349 -6.492 1.153 284 2HB SER 43 1HB SER 43 26.839 -6.026 1.972 285 HG SER 43 HG SER 43 24.394 -4.752 1.880 286 H ILE 44 H ILE 44 28.353 -4.515 -1.699 287 HA ILE 44 HA ILE 44 29.973 -6.898 -1.463 288 HB ILE 44 HB ILE 44 30.562 -4.420 -3.080 289 1HG1 ILE 44 2HG1 ILE 44 29.503 -6.782 -4.474 290 2HG1 ILE 44 1HG1 ILE 44 28.344 -6.007 -3.397 291 1HG2 ILE 44 1HG2 ILE 44 31.433 -7.103 -3.946 292 2HG2 ILE 44 2HG2 ILE 44 32.237 -6.440 -2.523 293 3HG2 ILE 44 3HG2 ILE 44 32.263 -5.550 -4.045 294 1HD1 ILE 44 1HD1 ILE 44 27.983 -4.407 -4.875 295 2HD1 ILE 44 2HD1 ILE 44 29.034 -5.264 -6.003 296 3HD1 ILE 44 3HD1 ILE 44 29.703 -4.022 -4.944 297 H GLY 45 H GLY 45 30.835 -3.436 -1.353 298 1HA GLY 45 2HA GLY 45 33.294 -3.858 -0.048 299 2HA GLY 45 1HA GLY 45 32.451 -2.323 -0.168 300 H ARG 46 H ARG 46 30.125 -3.908 1.224 301 HA ARG 46 HA ARG 46 29.316 -4.097 3.341 302 1HB ARG 46 2HB ARG 46 31.098 -5.816 3.542 303 2HB ARG 46 1HB ARG 46 32.201 -4.570 4.112 304 1HG ARG 46 2HG ARG 46 30.212 -4.216 5.862 305 2HG ARG 46 1HG ARG 46 29.985 -5.929 5.508 306 1HD ARG 46 2HD ARG 46 32.763 -5.475 5.858 307 2HD ARG 46 1HD ARG 46 31.919 -4.694 7.195 308 HE ARG 46 HE ARG 46 30.943 -7.327 6.747 309 1HH1 ARG 46 1HH1 ARG 46 33.598 -5.554 8.156 310 2HH1 ARG 46 2HH1 ARG 46 33.983 -6.796 9.300 311 1HH2 ARG 46 1HH2 ARG 46 31.448 -8.960 8.250 312 2HH2 ARG 46 2HH2 ARG 46 32.763 -8.728 9.353 313 H ARG 47 H ARG 47 28.582 -2.047 3.679 314 HA ARG 47 HA ARG 47 30.419 0.001 4.644 315 1HB ARG 47 2HB ARG 47 27.493 0.063 3.904 316 2HB ARG 47 1HB ARG 47 28.340 1.444 4.582 317 1HG ARG 47 2HG ARG 47 29.988 0.892 2.555 318 2HG ARG 47 1HG ARG 47 28.481 0.270 1.879 319 1HD ARG 47 2HD ARG 47 28.819 3.031 3.043 320 2HD ARG 47 1HD ARG 47 28.939 2.654 1.324 321 HE ARG 47 HE ARG 47 26.482 1.783 2.536 322 1HH1 ARG 47 1HH1 ARG 47 28.127 4.446 0.993 323 2HH1 ARG 47 2HH1 ARG 47 26.663 5.214 0.478 324 1HH2 ARG 47 1HH2 ARG 47 24.557 2.791 1.858 325 2HH2 ARG 47 2HH2 ARG 47 24.637 4.276 0.969 326 HA PRO 48 HA PRO 48 29.591 -1.057 8.915 327 1HB PRO 48 2HB PRO 48 30.378 1.776 9.351 328 2HB PRO 48 1HB PRO 48 30.997 0.307 10.114 329 1HG PRO 48 2HG PRO 48 32.431 1.589 8.273 330 2HG PRO 48 1HG PRO 48 32.403 -0.184 8.336 331 1HD PRO 48 2HD PRO 48 30.997 1.674 6.461 332 2HD PRO 48 1HD PRO 48 31.747 0.093 6.141 Start of MODEL 11 1 H VAL 1 H VAL 1 -1.284 -22.244 22.452 2 HA VAL 1 HA VAL 1 -0.505 -19.889 22.309 3 HB VAL 1 HB VAL 1 1.257 -21.831 23.846 4 1HG1 VAL 1 1HG1 VAL 1 2.535 -19.802 23.595 5 2HG1 VAL 1 2HG1 VAL 1 1.099 -18.792 23.888 6 3HG1 VAL 1 3HG1 VAL 1 1.798 -19.752 25.214 7 1HG2 VAL 1 1HG2 VAL 1 -0.150 -21.175 25.729 8 2HG2 VAL 1 2HG2 VAL 1 -1.004 -19.983 24.719 9 3HG2 VAL 1 3HG2 VAL 1 -1.193 -21.723 24.395 10 H ASN 2 H ASN 2 0.406 -21.323 19.874 11 HA ASN 2 HA ASN 2 3.208 -20.771 19.624 12 1HB ASN 2 2HB ASN 2 1.543 -22.463 18.327 13 2HB ASN 2 1HB ASN 2 1.604 -21.135 17.169 14 1HD2 ASN 2 1HD2 ASN 2 2.562 -23.282 16.161 15 2HD2 ASN 2 2HD2 ASN 2 4.289 -23.338 16.166 16 H TYR 3 H TYR 3 3.531 -18.588 19.990 17 HA TYR 3 HA TYR 3 2.074 -16.588 18.478 18 1HB TYR 3 2HB TYR 3 4.171 -16.589 20.596 19 2HB TYR 3 1HB TYR 3 4.124 -15.193 19.526 20 HD1 TYR 3 1HD TYR 3 2.695 -16.747 22.404 21 HD2 TYR 3 2HD TYR 3 1.886 -13.960 19.292 22 HE1 TYR 3 1HE TYR 3 0.856 -15.804 23.735 23 HE2 TYR 3 2HE TYR 3 0.046 -13.008 20.616 24 HH TYR 3 HH TYR 3 -0.346 -13.491 23.835 25 H GLY 4 H GLY 4 2.516 -16.875 16.292 26 1HA GLY 4 2HA GLY 4 5.346 -17.004 15.462 27 2HA GLY 4 1HA GLY 4 3.968 -17.476 14.485 28 H ASN 5 H ASN 5 2.607 -15.784 13.613 29 HA ASN 5 HA ASN 5 3.517 -13.050 13.615 30 1HB ASN 5 2HB ASN 5 3.724 -14.651 11.046 31 2HB ASN 5 1HB ASN 5 3.999 -12.924 11.210 32 1HD2 ASN 5 1HD2 ASN 5 6.030 -12.355 11.251 33 2HD2 ASN 5 2HD2 ASN 5 7.354 -13.316 11.804 34 H GLY 6 H GLY 6 1.156 -13.857 14.432 35 1HA GLY 6 2HA GLY 6 -0.681 -12.696 12.512 36 2HA GLY 6 1HA GLY 6 -0.980 -14.400 12.866 37 H VAL 7 H VAL 7 -0.320 -11.354 14.529 38 HA VAL 7 HA VAL 7 -2.595 -11.766 16.302 39 HB VAL 7 HB VAL 7 -1.139 -11.189 18.298 40 1HG1 VAL 7 1HG1 VAL 7 -0.140 -13.584 18.385 41 2HG1 VAL 7 2HG1 VAL 7 -1.008 -13.810 16.869 42 3HG1 VAL 7 3HG1 VAL 7 -1.889 -13.375 18.331 43 1HG2 VAL 7 1HG2 VAL 7 1.281 -11.956 17.996 44 2HG2 VAL 7 2HG2 VAL 7 0.839 -10.376 17.347 45 3HG2 VAL 7 3HG2 VAL 7 0.995 -11.760 16.266 46 H SER 8 H SER 8 -2.068 -9.944 14.192 47 HA SER 8 HA SER 8 -2.779 -7.506 15.378 48 1HB SER 8 2HB SER 8 -0.687 -6.213 14.672 49 2HB SER 8 1HB SER 8 -0.543 -7.210 16.120 50 HG SER 8 HG SER 8 1.202 -7.758 14.960 51 H CYS 9 H CYS 9 -3.709 -9.131 13.332 52 HA CYS 9 HA CYS 9 -4.492 -9.095 11.212 53 1HB CYS 9 2HB CYS 9 -5.307 -6.888 12.106 54 2HB CYS 9 1HB CYS 9 -3.938 -6.132 11.299 55 H SER 10 H SER 10 -1.631 -9.545 11.525 56 HA SER 10 HA SER 10 -0.301 -8.172 9.394 57 1HB SER 10 2HB SER 10 0.486 -10.733 10.807 58 2HB SER 10 1HB SER 10 1.535 -9.751 9.785 59 HG SER 10 HG SER 10 1.393 -9.516 12.292 60 H LYS 11 H LYS 11 -0.798 -11.662 9.753 61 HA LYS 11 HA LYS 11 -0.826 -12.048 6.914 62 1HB LYS 11 2HB LYS 11 -1.119 -14.421 7.470 63 2HB LYS 11 1HB LYS 11 0.207 -13.698 8.367 64 1HG LYS 11 2HG LYS 11 -0.824 -13.948 10.366 65 2HG LYS 11 1HG LYS 11 -2.434 -13.712 9.690 66 1HD LYS 11 2HD LYS 11 -2.264 -15.986 10.415 67 2HD LYS 11 1HD LYS 11 -2.244 -15.977 8.650 68 1HE LYS 11 2HE LYS 11 0.358 -15.861 10.082 69 2HE LYS 11 1HE LYS 11 -0.510 -17.396 10.068 70 1HZ LYS 11 1HZ LYS 11 -0.548 -17.322 7.660 71 2HZ LYS 11 2HZ LYS 11 1.044 -17.217 8.220 72 3HZ LYS 11 3HZ LYS 11 0.255 -15.832 7.659 73 H THR 12 H THR 12 -3.238 -11.642 9.383 74 HA THR 12 HA THR 12 -5.350 -12.738 7.724 75 HB THR 12 HB THR 12 -6.834 -12.163 9.611 76 HG1 THR 12 1HG THR 12 -6.202 -10.670 10.914 77 1HG2 THR 12 1HG2 THR 12 -5.436 -13.432 11.441 78 2HG2 THR 12 2HG2 THR 12 -4.398 -13.787 10.060 79 3HG2 THR 12 3HG2 THR 12 -6.094 -14.266 10.034 80 H LYS 13 H LYS 13 -6.811 -11.643 6.574 81 HA LYS 13 HA LYS 13 -6.311 -8.860 6.022 82 1HB LYS 13 2HB LYS 13 -6.870 -10.453 4.226 83 2HB LYS 13 1HB LYS 13 -8.448 -10.711 4.955 84 1HG LYS 13 2HG LYS 13 -8.451 -8.019 4.683 85 2HG LYS 13 1HG LYS 13 -7.473 -8.499 3.294 86 1HD LYS 13 2HD LYS 13 -9.597 -8.566 2.402 87 2HD LYS 13 1HD LYS 13 -9.385 -10.240 2.919 88 1HE LYS 13 2HE LYS 13 -10.620 -9.789 4.961 89 2HE LYS 13 1HE LYS 13 -10.776 -8.091 4.515 90 1HZ LYS 13 1HZ LYS 13 -12.350 -8.548 2.957 91 2HZ LYS 13 2HZ LYS 13 -12.675 -9.815 4.029 92 3HZ LYS 13 3HZ LYS 13 -11.765 -10.103 2.633 93 H CYS 14 H CYS 14 -7.271 -7.191 6.952 94 HA CYS 14 HA CYS 14 -9.553 -7.664 8.700 95 1HB CYS 14 2HB CYS 14 -7.626 -5.385 8.365 96 2HB CYS 14 1HB CYS 14 -9.094 -5.207 9.323 97 H SER 15 H SER 15 -8.659 -5.800 5.833 98 HA SER 15 HA SER 15 -11.485 -5.540 5.212 99 1HB SER 15 2HB SER 15 -10.465 -3.452 6.481 100 2HB SER 15 1HB SER 15 -9.933 -3.028 4.859 101 HG SER 15 HG SER 15 -12.588 -3.581 5.696 102 H VAL 16 H VAL 16 -11.945 -5.524 3.141 103 HA VAL 16 HA VAL 16 -9.942 -6.324 1.275 104 HB VAL 16 HB VAL 16 -12.210 -7.303 1.247 105 1HG1 VAL 16 1HG1 VAL 16 -13.288 -4.887 -0.113 106 2HG1 VAL 16 2HG1 VAL 16 -13.211 -4.894 1.649 107 3HG1 VAL 16 3HG1 VAL 16 -14.129 -6.138 0.802 108 1HG2 VAL 16 1HG2 VAL 16 -12.265 -7.597 -1.042 109 2HG2 VAL 16 2HG2 VAL 16 -10.616 -7.019 -0.802 110 3HG2 VAL 16 3HG2 VAL 16 -11.865 -5.912 -1.377 111 H ASN 17 H ASN 17 -8.616 -4.804 0.624 112 HA ASN 17 HA ASN 17 -9.737 -2.518 -0.825 113 1HB ASN 17 2HB ASN 17 -7.907 -2.397 1.538 114 2HB ASN 17 1HB ASN 17 -7.717 -1.207 0.250 115 1HD2 ASN 17 1HD2 ASN 17 -9.072 0.475 0.166 116 2HD2 ASN 17 2HD2 ASN 17 -10.437 0.696 1.200 117 H TRP 18 H TRP 18 -9.000 -2.777 -2.828 118 HA TRP 18 HA TRP 18 -6.808 -4.349 -3.564 119 1HB TRP 18 2HB TRP 18 -8.814 -2.957 -4.921 120 2HB TRP 18 1HB TRP 18 -7.320 -2.203 -5.478 121 HD1 TRP 18 HD TRP 18 -5.392 -4.074 -6.365 122 HE1 TRP 18 1HE TRP 18 -5.776 -6.194 -7.772 123 HE3 TRP 18 3HE TRP 18 -10.404 -4.691 -5.555 124 HZ2 TRP 18 2HZ TRP 18 -7.917 -7.898 -8.452 125 HZ3 TRP 18 3HZ TRP 18 -11.544 -6.592 -6.624 126 HH2 TRP 18 HH TRP 18 -10.324 -8.161 -8.042 127 H GLY 19 H GLY 19 -7.088 -0.804 -3.327 128 1HA GLY 19 2HA GLY 19 -4.530 -0.070 -4.057 129 2HA GLY 19 1HA GLY 19 -5.510 0.805 -2.890 130 H GLN 20 H GLN 20 -5.637 -0.866 -0.760 131 HA GLN 20 HA GLN 20 -3.143 -0.473 0.469 132 1HB GLN 20 2HB GLN 20 -5.705 -1.757 1.215 133 2HB GLN 20 1HB GLN 20 -4.289 -2.259 2.130 134 1HG GLN 20 2HG GLN 20 -5.099 -0.506 3.387 135 2HG GLN 20 1HG GLN 20 -3.861 0.274 2.404 136 1HE2 GLN 20 1HE2 GLN 20 -4.448 2.131 1.554 137 2HE2 GLN 20 2HE2 GLN 20 -6.057 2.601 1.133 138 H ALA 21 H ALA 21 -4.706 -3.548 -0.476 139 HA ALA 21 HA ALA 21 -2.620 -5.260 0.209 140 1HB ALA 21 1HB ALA 21 -3.708 -6.908 -1.035 141 2HB ALA 21 2HB ALA 21 -4.349 -5.744 -2.194 142 3HB ALA 21 3HB ALA 21 -5.007 -5.812 -0.559 143 H PHE 22 H PHE 22 -3.335 -4.102 -3.096 144 HA PHE 22 HA PHE 22 -1.098 -5.127 -4.333 145 1HB PHE 22 2HB PHE 22 -2.997 -3.949 -5.506 146 2HB PHE 22 1HB PHE 22 -2.259 -2.419 -5.026 147 HD1 PHE 22 1HD PHE 22 -1.076 -1.391 -6.636 148 HD2 PHE 22 2HD PHE 22 -1.082 -5.636 -6.511 149 HE1 PHE 22 1HE PHE 22 0.472 -1.439 -8.523 150 HE2 PHE 22 2HE PHE 22 0.467 -5.697 -8.404 151 HZ PHE 22 HZ PHE 22 1.246 -3.596 -9.432 152 H GLN 23 H GLN 23 -1.317 -2.152 -2.426 153 HA GLN 23 HA GLN 23 1.279 -1.244 -3.283 154 1HB GLN 23 2HB GLN 23 -0.684 0.207 -2.442 155 2HB GLN 23 1HB GLN 23 -0.161 -0.258 -0.828 156 1HG GLN 23 2HG GLN 23 1.952 0.793 -1.128 157 2HG GLN 23 1HG GLN 23 1.648 1.049 -2.846 158 1HE2 GLN 23 1HE2 GLN 23 0.672 1.975 0.393 159 2HE2 GLN 23 2HE2 GLN 23 0.006 3.509 -0.038 160 H GLU 24 H GLU 24 -0.056 -2.884 -0.476 161 HA GLU 24 HA GLU 24 2.312 -2.883 1.079 162 1HB GLU 24 2HB GLU 24 -0.307 -4.265 1.131 163 2HB GLU 24 1HB GLU 24 1.014 -5.131 1.898 164 1HG GLU 24 2HG GLU 24 1.231 -3.607 3.573 165 2HG GLU 24 1HG GLU 24 0.650 -2.271 2.583 166 H ARG 25 H ARG 25 1.062 -4.817 -1.503 167 HA ARG 25 HA ARG 25 2.930 -6.970 -1.256 168 1HB ARG 25 2HB ARG 25 0.499 -6.605 -2.470 169 2HB ARG 25 1HB ARG 25 1.594 -6.547 -3.844 170 1HG ARG 25 2HG ARG 25 1.659 -8.757 -1.814 171 2HG ARG 25 1HG ARG 25 0.638 -8.805 -3.252 172 1HD ARG 25 2HD ARG 25 2.548 -8.695 -4.692 173 2HD ARG 25 1HD ARG 25 3.622 -8.395 -3.327 174 HE ARG 25 HE ARG 25 2.317 -10.843 -2.922 175 1HH1 ARG 25 1HH1 ARG 25 4.699 -9.409 -5.031 176 2HH1 ARG 25 2HH1 ARG 25 5.517 -10.905 -5.331 177 1HH2 ARG 25 1HH2 ARG 25 3.395 -12.815 -3.317 178 2HH2 ARG 25 2HH2 ARG 25 4.778 -12.838 -4.359 179 H TYR 26 H TYR 26 2.437 -4.418 -3.712 180 HA TYR 26 HA TYR 26 4.907 -5.002 -5.023 181 1HB TYR 26 2HB TYR 26 4.154 -3.664 -6.670 182 2HB TYR 26 1HB TYR 26 2.636 -3.885 -5.826 183 HD1 TYR 26 1HD TYR 26 1.529 -2.080 -4.852 184 HD2 TYR 26 2HD TYR 26 5.400 -1.506 -6.403 185 HE1 TYR 26 1HE TYR 26 1.160 0.326 -4.728 186 HE2 TYR 26 2HE TYR 26 5.092 0.918 -6.257 187 HH TYR 26 HH TYR 26 2.393 2.359 -4.656 188 H THR 27 H THR 27 3.900 -2.038 -3.215 189 HA THR 27 HA THR 27 6.346 -0.754 -3.288 190 HB THR 27 HB THR 27 4.684 -0.675 -0.791 191 HG1 THR 27 1HG THR 27 3.732 1.070 -2.563 192 1HG2 THR 27 1HG2 THR 27 6.733 0.950 -1.869 193 2HG2 THR 27 2HG2 THR 27 5.810 1.179 -0.385 194 3HG2 THR 27 3HG2 THR 27 5.235 1.880 -1.896 195 H ALA 28 H ALA 28 5.329 -3.406 -1.248 196 HA ALA 28 HA ALA 28 7.438 -3.331 0.613 197 1HB ALA 28 1HB ALA 28 5.621 -5.509 -0.354 198 2HB ALA 28 2HB ALA 28 5.646 -4.697 1.211 199 3HB ALA 28 3HB ALA 28 6.916 -5.846 0.793 200 H GLY 29 H GLY 29 7.065 -5.325 -2.324 201 1HA GLY 29 2HA GLY 29 9.732 -6.344 -2.197 202 2HA GLY 29 1HA GLY 29 8.628 -6.484 -3.560 203 H ILE 30 H ILE 30 8.203 -3.665 -3.889 204 HA ILE 30 HA ILE 30 10.403 -3.072 -5.593 205 HB ILE 30 HB ILE 30 8.089 -1.338 -4.712 206 1HG1 ILE 30 2HG1 ILE 30 7.462 -3.369 -5.975 207 2HG1 ILE 30 1HG1 ILE 30 7.131 -1.898 -6.881 208 1HG2 ILE 30 1HG2 ILE 30 10.047 -0.896 -6.964 209 2HG2 ILE 30 2HG2 ILE 30 9.983 0.022 -5.460 210 3HG2 ILE 30 3HG2 ILE 30 8.639 0.101 -6.599 211 1HD1 ILE 30 1HD1 ILE 30 8.053 -3.552 -8.346 212 2HD1 ILE 30 2HD1 ILE 30 9.444 -3.773 -7.284 213 3HD1 ILE 30 3HD1 ILE 30 9.221 -2.246 -8.139 214 H ASN 31 H ASN 31 9.424 -1.984 -2.372 215 HA ASN 31 HA ASN 31 11.202 0.184 -2.158 216 1HB ASN 31 2HB ASN 31 9.355 -0.228 -0.549 217 2HB ASN 31 1HB ASN 31 10.234 -1.624 0.080 218 1HD2 ASN 31 1HD2 ASN 31 9.799 1.730 0.240 219 2HD2 ASN 31 2HD2 ASN 31 11.074 2.084 1.351 220 H SER 32 H SER 32 11.535 -3.211 -1.152 221 HA SER 32 HA SER 32 14.135 -3.034 -0.161 222 1HB SER 32 2HB SER 32 14.248 -5.478 -0.489 223 2HB SER 32 1HB SER 32 12.701 -4.994 0.207 224 HG SER 32 HG SER 32 13.235 -5.656 -2.498 225 H PHE 33 H PHE 33 13.007 -3.696 -3.453 226 HA PHE 33 HA PHE 33 15.427 -4.312 -4.652 227 1HB PHE 33 2HB PHE 33 14.057 -4.471 -6.418 228 2HB PHE 33 1HB PHE 33 12.781 -3.692 -5.498 229 HD1 PHE 33 1HD PHE 33 11.861 -1.736 -6.322 230 HD2 PHE 33 2HD PHE 33 15.769 -2.842 -7.560 231 HE1 PHE 33 1HE PHE 33 11.889 0.140 -7.890 232 HE2 PHE 33 2HE PHE 33 15.797 -0.968 -9.144 233 HZ PHE 33 HZ PHE 33 13.854 0.528 -9.310 234 H VAL 34 H VAL 34 14.049 -1.170 -3.869 235 HA VAL 34 HA VAL 34 15.874 0.498 -5.203 236 HB VAL 34 HB VAL 34 14.697 1.208 -2.540 237 1HG1 VAL 34 1HG1 VAL 34 14.527 3.432 -3.639 238 2HG1 VAL 34 2HG1 VAL 34 15.372 2.754 -5.030 239 3HG1 VAL 34 3HG1 VAL 34 16.176 2.832 -3.464 240 1HG2 VAL 34 1HG2 VAL 34 12.954 2.015 -4.641 241 2HG2 VAL 34 2HG2 VAL 34 12.617 0.968 -3.263 242 3HG2 VAL 34 3HG2 VAL 34 13.207 0.275 -4.764 243 H SER 35 H SER 35 15.862 -0.349 -1.764 244 HA SER 35 HA SER 35 18.303 0.784 -1.113 245 1HB SER 35 2HB SER 35 17.359 -1.821 0.066 246 2HB SER 35 1HB SER 35 18.300 -0.549 0.845 247 HG SER 35 HG SER 35 16.506 0.413 1.348 248 H GLY 36 H GLY 36 17.633 -2.443 -2.405 249 1HA GLY 36 2HA GLY 36 20.233 -3.486 -2.249 250 2HA GLY 36 1HA GLY 36 19.001 -4.001 -3.396 251 H VAL 37 H VAL 37 18.638 -1.669 -4.855 252 HA VAL 37 HA VAL 37 20.980 -1.742 -6.548 253 HB VAL 37 HB VAL 37 19.728 -0.243 -8.027 254 1HG1 VAL 37 1HG1 VAL 37 18.214 -1.816 -8.781 255 2HG1 VAL 37 2HG1 VAL 37 17.761 -2.317 -7.154 256 3HG1 VAL 37 3HG1 VAL 37 19.324 -2.792 -7.820 257 1HG2 VAL 37 1HG2 VAL 37 17.470 0.480 -7.503 258 2HG2 VAL 37 2HG2 VAL 37 18.604 1.096 -6.301 259 3HG2 VAL 37 3HG2 VAL 37 17.572 -0.282 -5.917 260 H ALA 38 H ALA 38 19.668 0.335 -4.094 261 HA ALA 38 HA ALA 38 21.045 2.713 -4.847 262 1HB ALA 38 1HB ALA 38 19.255 3.196 -3.522 263 2HB ALA 38 2HB ALA 38 20.532 3.200 -2.306 264 3HB ALA 38 3HB ALA 38 19.493 1.786 -2.491 265 H SER 39 H SER 39 21.937 -0.123 -3.045 266 HA SER 39 HA SER 39 24.042 0.922 -1.514 267 1HB SER 39 2HB SER 39 24.879 -1.415 -1.440 268 2HB SER 39 1HB SER 39 23.154 -1.300 -1.089 269 HG SER 39 HG SER 39 24.136 -1.838 -3.686 270 H GLY 40 H GLY 40 23.834 0.098 -4.887 271 1HA GLY 40 2HA GLY 40 25.297 0.897 -6.540 272 2HA GLY 40 1HA GLY 40 26.494 1.230 -5.299 273 H ALA 41 H ALA 41 24.789 -1.825 -5.798 274 HA ALA 41 HA ALA 41 27.039 -3.039 -7.136 275 1HB ALA 41 1HB ALA 41 27.439 -4.741 -5.391 276 2HB ALA 41 2HB ALA 41 26.371 -3.848 -4.309 277 3HB ALA 41 3HB ALA 41 27.872 -3.112 -4.873 278 H GLY 42 H GLY 42 24.504 -4.328 -4.977 279 1HA GLY 42 2HA GLY 42 22.449 -4.992 -6.479 280 2HA GLY 42 1HA GLY 42 23.643 -6.094 -7.153 281 H SER 43 H SER 43 21.717 -5.306 -4.347 282 HA SER 43 HA SER 43 22.682 -7.257 -2.586 283 1HB SER 43 2HB SER 43 20.048 -5.826 -2.823 284 2HB SER 43 1HB SER 43 20.292 -7.076 -1.605 285 HG SER 43 HG SER 43 21.282 -5.630 -0.470 286 H ILE 44 H ILE 44 19.552 -7.434 -4.288 287 HA ILE 44 HA ILE 44 19.208 -10.174 -3.864 288 HB ILE 44 HB ILE 44 17.696 -9.979 -6.003 289 1HG1 ILE 44 2HG1 ILE 44 17.312 -7.154 -5.404 290 2HG1 ILE 44 1HG1 ILE 44 18.901 -7.467 -6.091 291 1HG2 ILE 44 1HG2 ILE 44 16.831 -10.258 -3.783 292 2HG2 ILE 44 2HG2 ILE 44 15.917 -8.987 -4.594 293 3HG2 ILE 44 3HG2 ILE 44 17.145 -8.565 -3.401 294 1HD1 ILE 44 1HD1 ILE 44 18.014 -8.275 -8.079 295 2HD1 ILE 44 2HD1 ILE 44 16.970 -6.913 -7.673 296 3HD1 ILE 44 3HD1 ILE 44 16.427 -8.562 -7.365 297 H GLY 45 H GLY 45 19.924 -8.695 -7.038 298 1HA GLY 45 2HA GLY 45 21.085 -9.514 -8.840 299 2HA GLY 45 1HA GLY 45 22.162 -10.214 -7.646 300 H ARG 46 H ARG 46 18.821 -11.151 -7.708 301 HA ARG 46 HA ARG 46 19.647 -13.840 -8.488 302 1HB ARG 46 2HB ARG 46 18.119 -13.120 -6.432 303 2HB ARG 46 1HB ARG 46 16.854 -13.229 -7.646 304 1HG ARG 46 2HG ARG 46 16.904 -15.464 -7.674 305 2HG ARG 46 1HG ARG 46 18.666 -15.523 -7.610 306 1HD ARG 46 2HD ARG 46 18.696 -15.764 -5.379 307 2HD ARG 46 1HD ARG 46 17.408 -14.585 -5.139 308 HE ARG 46 HE ARG 46 17.130 -17.445 -5.377 309 1HH1 ARG 46 1HH1 ARG 46 15.511 -14.361 -5.608 310 2HH1 ARG 46 2HH1 ARG 46 13.936 -15.028 -5.343 311 1HH2 ARG 46 1HH2 ARG 46 15.057 -18.323 -5.032 312 2HH2 ARG 46 2HH2 ARG 46 13.678 -17.277 -5.016 313 H ARG 47 H ARG 47 17.148 -11.445 -9.285 314 HA ARG 47 HA ARG 47 17.080 -12.520 -12.013 315 1HB ARG 47 2HB ARG 47 14.570 -11.737 -10.532 316 2HB ARG 47 1HB ARG 47 14.692 -12.505 -12.108 317 1HG ARG 47 2HG ARG 47 15.946 -14.350 -10.647 318 2HG ARG 47 1HG ARG 47 14.886 -13.676 -9.405 319 1HD ARG 47 2HD ARG 47 13.028 -14.522 -10.355 320 2HD ARG 47 1HD ARG 47 13.602 -14.216 -11.994 321 HE ARG 47 HE ARG 47 15.158 -16.270 -11.129 322 1HH1 ARG 47 1HH1 ARG 47 11.712 -15.756 -11.324 323 2HH1 ARG 47 2HH1 ARG 47 11.349 -17.434 -11.547 324 1HH2 ARG 47 1HH2 ARG 47 14.683 -18.477 -11.420 325 2HH2 ARG 47 2HH2 ARG 47 13.035 -18.979 -11.600 326 HA PRO 48 HA PRO 48 17.280 -8.300 -13.242 327 1HB PRO 48 2HB PRO 48 15.824 -8.301 -15.541 328 2HB PRO 48 1HB PRO 48 17.443 -9.000 -15.425 329 1HG PRO 48 2HG PRO 48 14.777 -10.360 -15.326 330 2HG PRO 48 1HG PRO 48 16.256 -10.854 -16.171 331 1HD PRO 48 2HD PRO 48 15.498 -11.943 -13.816 332 2HD PRO 48 1HD PRO 48 17.207 -11.731 -14.261 Start of MODEL 12 1 H VAL 1 H VAL 1 -17.684 -16.987 -1.630 2 HA VAL 1 HA VAL 1 -17.055 -18.972 -0.275 3 HB VAL 1 HB VAL 1 -18.522 -18.553 1.637 4 1HG1 VAL 1 1HG1 VAL 1 -16.935 -16.826 1.401 5 2HG1 VAL 1 2HG1 VAL 1 -17.692 -16.207 -0.087 6 3HG1 VAL 1 3HG1 VAL 1 -18.477 -15.942 1.489 7 1HG2 VAL 1 1HG2 VAL 1 -20.511 -17.088 1.367 8 2HG2 VAL 1 2HG2 VAL 1 -20.251 -17.075 -0.394 9 3HG2 VAL 1 3HG2 VAL 1 -20.674 -18.594 0.431 10 H ASN 2 H ASN 2 -18.136 -20.842 0.967 11 HA ASN 2 HA ASN 2 -20.438 -22.027 -0.257 12 1HB ASN 2 2HB ASN 2 -18.102 -22.518 -1.592 13 2HB ASN 2 1HB ASN 2 -18.211 -23.911 -0.524 14 1HD2 ASN 2 1HD2 ASN 2 -18.494 -25.194 -2.394 15 2HD2 ASN 2 2HD2 ASN 2 -20.030 -25.286 -3.179 16 H TYR 3 H TYR 3 -19.358 -21.332 2.438 17 HA TYR 3 HA TYR 3 -18.868 -23.849 3.750 18 1HB TYR 3 2HB TYR 3 -19.444 -21.158 5.038 19 2HB TYR 3 1HB TYR 3 -18.604 -22.538 5.757 20 HD1 TYR 3 1HD TYR 3 -16.398 -23.274 4.683 21 HD2 TYR 3 2HD TYR 3 -18.233 -19.534 3.841 22 HE1 TYR 3 1HE TYR 3 -14.281 -22.449 3.756 23 HE2 TYR 3 2HE TYR 3 -16.120 -18.695 2.918 24 HH TYR 3 HH TYR 3 -13.194 -20.129 3.414 25 H GLY 4 H GLY 4 -20.231 -24.225 5.896 26 1HA GLY 4 2HA GLY 4 -23.103 -24.117 5.117 27 2HA GLY 4 1HA GLY 4 -22.354 -25.523 5.857 28 H ASN 5 H ASN 5 -20.828 -24.084 7.813 29 HA ASN 5 HA ASN 5 -22.592 -22.458 9.365 30 1HB ASN 5 2HB ASN 5 -22.178 -25.347 10.110 31 2HB ASN 5 1HB ASN 5 -22.536 -24.130 11.332 32 1HD2 ASN 5 1HD2 ASN 5 -24.038 -26.473 10.293 33 2HD2 ASN 5 2HD2 ASN 5 -25.588 -25.853 9.848 34 H GLY 6 H GLY 6 -20.338 -21.637 8.578 35 1HA GLY 6 2HA GLY 6 -18.735 -21.366 10.954 36 2HA GLY 6 1HA GLY 6 -17.916 -22.208 9.639 37 H VAL 7 H VAL 7 -18.338 -21.034 7.432 38 HA VAL 7 HA VAL 7 -17.672 -19.312 6.153 39 HB VAL 7 HB VAL 7 -18.793 -17.103 6.608 40 1HG1 VAL 7 1HG1 VAL 7 -20.424 -19.617 6.330 41 2HG1 VAL 7 2HG1 VAL 7 -19.725 -18.639 5.041 42 3HG1 VAL 7 3HG1 VAL 7 -21.044 -17.996 6.018 43 1HG2 VAL 7 1HG2 VAL 7 -20.309 -18.642 8.708 44 2HG2 VAL 7 2HG2 VAL 7 -20.517 -16.953 8.247 45 3HG2 VAL 7 3HG2 VAL 7 -19.046 -17.466 9.071 46 H SER 8 H SER 8 -15.498 -19.337 6.591 47 HA SER 8 HA SER 8 -14.552 -17.010 8.081 48 1HB SER 8 2HB SER 8 -14.277 -18.571 9.805 49 2HB SER 8 1HB SER 8 -13.808 -19.860 8.694 50 HG SER 8 HG SER 8 -12.279 -17.537 9.263 51 H CYS 9 H CYS 9 -14.038 -16.149 6.054 52 HA CYS 9 HA CYS 9 -12.461 -17.446 4.117 53 1HB CYS 9 2HB CYS 9 -13.205 -14.613 4.703 54 2HB CYS 9 1HB CYS 9 -11.899 -14.918 3.562 55 H SER 10 H SER 10 -10.459 -18.147 4.362 56 HA SER 10 HA SER 10 -8.341 -16.476 5.167 57 1HB SER 10 2HB SER 10 -7.752 -18.052 7.195 58 2HB SER 10 1HB SER 10 -8.832 -16.673 7.403 59 HG SER 10 HG SER 10 -9.409 -19.405 7.364 60 H LYS 11 H LYS 11 -9.492 -19.795 4.807 61 HA LYS 11 HA LYS 11 -6.884 -20.836 4.198 62 1HB LYS 11 2HB LYS 11 -8.774 -22.178 5.200 63 2HB LYS 11 1HB LYS 11 -9.557 -22.122 3.629 64 1HG LYS 11 2HG LYS 11 -7.381 -23.148 2.734 65 2HG LYS 11 1HG LYS 11 -7.038 -23.528 4.421 66 1HD LYS 11 2HD LYS 11 -9.525 -24.359 2.925 67 2HD LYS 11 1HD LYS 11 -8.127 -25.393 3.230 68 1HE LYS 11 2HE LYS 11 -8.519 -25.436 5.539 69 2HE LYS 11 1HE LYS 11 -9.593 -24.039 5.469 70 1HZ LYS 11 1HZ LYS 11 -10.155 -26.841 4.913 71 2HZ LYS 11 2HZ LYS 11 -10.921 -25.712 3.914 72 3HZ LYS 11 3HZ LYS 11 -11.148 -25.650 5.588 73 H THR 12 H THR 12 -9.836 -20.200 2.320 74 HA THR 12 HA THR 12 -8.390 -20.593 -0.168 75 HB THR 12 HB THR 12 -10.609 -20.189 -1.225 76 HG1 THR 12 1HG THR 12 -11.560 -18.832 0.255 77 1HG2 THR 12 1HG2 THR 12 -11.824 -22.127 -0.287 78 2HG2 THR 12 2HG2 THR 12 -10.611 -22.223 0.989 79 3HG2 THR 12 3HG2 THR 12 -10.144 -22.472 -0.695 80 H LYS 13 H LYS 13 -9.434 -18.782 -1.882 81 HA LYS 13 HA LYS 13 -8.056 -16.364 -1.124 82 1HB LYS 13 2HB LYS 13 -8.706 -15.627 -3.443 83 2HB LYS 13 1HB LYS 13 -7.746 -17.100 -3.373 84 1HG LYS 13 2HG LYS 13 -9.468 -18.424 -4.078 85 2HG LYS 13 1HG LYS 13 -10.707 -17.357 -3.416 86 1HD LYS 13 2HD LYS 13 -10.416 -15.796 -5.208 87 2HD LYS 13 1HD LYS 13 -8.997 -16.663 -5.799 88 1HE LYS 13 2HE LYS 13 -11.842 -17.661 -5.772 89 2HE LYS 13 1HE LYS 13 -10.912 -17.174 -7.188 90 1HZ LYS 13 1HZ LYS 13 -10.830 -19.507 -7.118 91 2HZ LYS 13 2HZ LYS 13 -10.493 -19.543 -5.461 92 3HZ LYS 13 3HZ LYS 13 -9.319 -19.001 -6.551 93 H CYS 14 H CYS 14 -8.964 -14.608 -0.218 94 HA CYS 14 HA CYS 14 -11.701 -13.897 -0.854 95 1HB CYS 14 2HB CYS 14 -11.368 -15.542 1.273 96 2HB CYS 14 1HB CYS 14 -11.242 -13.962 2.048 97 H SER 15 H SER 15 -11.450 -11.858 -1.427 98 HA SER 15 HA SER 15 -10.823 -9.841 0.441 99 1HB SER 15 2HB SER 15 -8.806 -8.919 -0.782 100 2HB SER 15 1HB SER 15 -8.506 -10.388 0.145 101 HG SER 15 HG SER 15 -7.613 -10.794 -1.793 102 H VAL 16 H VAL 16 -10.218 -7.709 -1.020 103 HA VAL 16 HA VAL 16 -11.489 -7.655 -3.557 104 HB VAL 16 HB VAL 16 -13.470 -7.781 -2.114 105 1HG1 VAL 16 1HG1 VAL 16 -12.491 -5.167 -0.988 106 2HG1 VAL 16 2HG1 VAL 16 -12.506 -6.720 -0.146 107 3HG1 VAL 16 3HG1 VAL 16 -14.024 -5.957 -0.620 108 1HG2 VAL 16 1HG2 VAL 16 -13.477 -4.990 -3.144 109 2HG2 VAL 16 2HG2 VAL 16 -14.674 -6.272 -3.333 110 3HG2 VAL 16 3HG2 VAL 16 -13.187 -6.310 -4.279 111 H ASN 17 H ASN 17 -10.506 -5.770 -0.726 112 HA ASN 17 HA ASN 17 -10.060 -3.333 -2.085 113 1HB ASN 17 2HB ASN 17 -9.767 -4.293 0.566 114 2HB ASN 17 1HB ASN 17 -8.223 -3.587 0.091 115 1HD2 ASN 17 1HD2 ASN 17 -11.661 -2.972 0.431 116 2HD2 ASN 17 2HD2 ASN 17 -11.532 -1.255 0.562 117 H TRP 18 H TRP 18 -8.955 -3.706 -3.921 118 HA TRP 18 HA TRP 18 -6.605 -5.238 -4.123 119 1HB TRP 18 2HB TRP 18 -8.331 -4.109 -5.921 120 2HB TRP 18 1HB TRP 18 -6.914 -3.080 -6.110 121 HD1 TRP 18 HD TRP 18 -4.592 -4.360 -6.804 122 HE1 TRP 18 1HE TRP 18 -4.222 -6.496 -8.184 123 HE3 TRP 18 3HE TRP 18 -9.320 -6.312 -6.587 124 HZ2 TRP 18 2HZ TRP 18 -5.722 -8.707 -9.070 125 HZ3 TRP 18 3HZ TRP 18 -9.765 -8.441 -7.740 126 HH2 TRP 18 HH TRP 18 -8.001 -9.612 -8.955 127 H GLY 19 H GLY 19 -7.136 -1.749 -3.729 128 1HA GLY 19 2HA GLY 19 -4.567 -0.788 -4.060 129 2HA GLY 19 1HA GLY 19 -5.763 -0.068 -2.996 130 H GLN 20 H GLN 20 -6.022 -1.534 -0.877 131 HA GLN 20 HA GLN 20 -3.746 -1.109 0.634 132 1HB GLN 20 2HB GLN 20 -6.234 -1.730 1.314 133 2HB GLN 20 1HB GLN 20 -5.548 -3.344 1.450 134 1HG GLN 20 2HG GLN 20 -5.287 -2.570 3.588 135 2HG GLN 20 1HG GLN 20 -3.728 -2.146 2.882 136 1HE2 GLN 20 1HE2 GLN 20 -4.922 -0.942 5.168 137 2HE2 GLN 20 2HE2 GLN 20 -5.190 0.724 4.799 138 H ALA 21 H ALA 21 -4.777 -4.114 -0.941 139 HA ALA 21 HA ALA 21 -2.655 -5.715 0.062 140 1HB ALA 21 1HB ALA 21 -4.270 -6.115 -2.453 141 2HB ALA 21 2HB ALA 21 -4.764 -6.626 -0.839 142 3HB ALA 21 3HB ALA 21 -3.337 -7.339 -1.591 143 H PHE 22 H PHE 22 -3.151 -4.477 -3.250 144 HA PHE 22 HA PHE 22 -0.686 -5.195 -4.261 145 1HB PHE 22 2HB PHE 22 -2.613 -4.222 -5.593 146 2HB PHE 22 1HB PHE 22 -2.077 -2.628 -5.055 147 HD1 PHE 22 1HD PHE 22 -0.885 -1.483 -6.550 148 HD2 PHE 22 2HD PHE 22 -0.454 -5.699 -6.408 149 HE1 PHE 22 1HE PHE 22 0.831 -1.354 -8.274 150 HE2 PHE 22 2HE PHE 22 1.267 -5.590 -8.135 151 HZ PHE 22 HZ PHE 22 1.915 -3.409 -9.096 152 H GLN 23 H GLN 23 -1.416 -2.389 -2.243 153 HA GLN 23 HA GLN 23 1.022 -1.047 -2.959 154 1HB GLN 23 2HB GLN 23 -1.097 0.078 -2.126 155 2HB GLN 23 1HB GLN 23 -0.658 -0.483 -0.518 156 1HG GLN 23 2HG GLN 23 1.437 0.761 -0.647 157 2HG GLN 23 1HG GLN 23 1.007 1.321 -2.262 158 1HE2 GLN 23 1HE2 GLN 23 1.348 3.433 -1.238 159 2HE2 GLN 23 2HE2 GLN 23 0.026 4.166 -0.400 160 H GLU 24 H GLU 24 -0.030 -3.120 -0.323 161 HA GLU 24 HA GLU 24 2.354 -2.776 1.227 162 1HB GLU 24 2HB GLU 24 -0.050 -3.600 1.924 163 2HB GLU 24 1HB GLU 24 0.584 -5.178 1.479 164 1HG GLU 24 2HG GLU 24 1.748 -3.316 3.534 165 2HG GLU 24 1HG GLU 24 0.808 -4.769 3.860 166 H ARG 25 H ARG 25 1.214 -4.940 -1.241 167 HA ARG 25 HA ARG 25 3.321 -6.862 -1.023 168 1HB ARG 25 2HB ARG 25 0.837 -6.724 -2.250 169 2HB ARG 25 1HB ARG 25 1.950 -6.655 -3.606 170 1HG ARG 25 2HG ARG 25 3.068 -8.702 -2.488 171 2HG ARG 25 1HG ARG 25 1.547 -8.839 -1.606 172 1HD ARG 25 2HD ARG 25 0.544 -9.753 -3.367 173 2HD ARG 25 1HD ARG 25 1.035 -8.413 -4.401 174 HE ARG 25 HE ARG 25 2.289 -11.003 -4.186 175 1HH1 ARG 25 1HH1 ARG 25 2.687 -7.679 -5.173 176 2HH1 ARG 25 2HH1 ARG 25 3.975 -8.030 -6.274 177 1HH2 ARG 25 1HH2 ARG 25 3.981 -11.466 -5.637 178 2HH2 ARG 25 2HH2 ARG 25 4.711 -10.178 -6.538 179 H TYR 26 H TYR 26 2.452 -4.463 -3.481 180 HA TYR 26 HA TYR 26 4.798 -4.735 -4.999 181 1HB TYR 26 2HB TYR 26 3.677 -3.491 -6.450 182 2HB TYR 26 1HB TYR 26 2.356 -3.599 -5.300 183 HD1 TYR 26 1HD TYR 26 5.267 -1.448 -6.138 184 HD2 TYR 26 2HD TYR 26 1.369 -1.643 -4.551 185 HE1 TYR 26 1HE TYR 26 5.158 0.983 -6.067 186 HE2 TYR 26 2HE TYR 26 1.215 0.770 -4.476 187 HH TYR 26 HH TYR 26 2.850 2.754 -6.074 188 H THR 27 H THR 27 3.865 -1.937 -2.921 189 HA THR 27 HA THR 27 6.260 -0.557 -3.195 190 HB THR 27 HB THR 27 4.727 -0.588 -0.606 191 HG1 THR 27 1HG THR 27 3.180 0.662 -1.523 192 1HG2 THR 27 1HG2 THR 27 5.091 1.978 -1.100 193 2HG2 THR 27 2HG2 THR 27 6.463 1.352 -2.016 194 3HG2 THR 27 3HG2 THR 27 6.316 0.996 -0.296 195 H ALA 28 H ALA 28 5.464 -3.218 -1.042 196 HA ALA 28 HA ALA 28 7.733 -3.099 0.601 197 1HB ALA 28 1HB ALA 28 7.317 -5.608 0.849 198 2HB ALA 28 2HB ALA 28 5.950 -5.365 -0.237 199 3HB ALA 28 3HB ALA 28 6.006 -4.522 1.310 200 H GLY 29 H GLY 29 7.198 -4.665 -2.526 201 1HA GLY 29 2HA GLY 29 9.873 -5.780 -2.606 202 2HA GLY 29 1HA GLY 29 8.666 -5.853 -3.881 203 H ILE 30 H ILE 30 8.127 -3.219 -4.356 204 HA ILE 30 HA ILE 30 10.273 -2.467 -6.010 205 HB ILE 30 HB ILE 30 7.895 -0.842 -5.090 206 1HG1 ILE 30 2HG1 ILE 30 8.428 -2.642 -7.448 207 2HG1 ILE 30 1HG1 ILE 30 7.103 -2.719 -6.292 208 1HG2 ILE 30 1HG2 ILE 30 9.697 0.615 -5.859 209 2HG2 ILE 30 2HG2 ILE 30 8.353 0.612 -7.002 210 3HG2 ILE 30 3HG2 ILE 30 9.814 -0.310 -7.357 211 1HD1 ILE 30 1HD1 ILE 30 5.957 -1.801 -7.990 212 2HD1 ILE 30 2HD1 ILE 30 7.399 -1.111 -8.737 213 3HD1 ILE 30 3HD1 ILE 30 6.641 -0.301 -7.364 214 H ASN 31 H ASN 31 9.507 -1.727 -2.699 215 HA ASN 31 HA ASN 31 11.216 0.577 -2.515 216 1HB ASN 31 2HB ASN 31 9.295 0.198 -0.965 217 2HB ASN 31 1HB ASN 31 10.166 -1.173 -0.271 218 1HD2 ASN 31 1HD2 ASN 31 9.260 1.478 0.802 219 2HD2 ASN 31 2HD2 ASN 31 10.673 2.150 1.538 220 H SER 32 H SER 32 11.447 -2.777 -1.310 221 HA SER 32 HA SER 32 14.071 -2.543 -0.340 222 1HB SER 32 2HB SER 32 12.542 -4.368 0.314 223 2HB SER 32 1HB SER 32 12.660 -5.045 -1.313 224 HG SER 32 HG SER 32 14.120 -5.829 0.508 225 H PHE 33 H PHE 33 12.829 -3.369 -3.522 226 HA PHE 33 HA PHE 33 15.157 -4.400 -4.670 227 1HB PHE 33 2HB PHE 33 13.630 -4.647 -6.296 228 2HB PHE 33 1HB PHE 33 12.591 -3.418 -5.591 229 HD1 PHE 33 1HD PHE 33 15.432 -3.957 -7.892 230 HD2 PHE 33 2HD PHE 33 12.442 -1.263 -6.530 231 HE1 PHE 33 1HE PHE 33 15.938 -2.449 -9.768 232 HE2 PHE 33 2HE PHE 33 12.939 0.247 -8.402 233 HZ PHE 33 HZ PHE 33 14.691 -0.343 -10.024 234 H VAL 34 H VAL 34 14.140 -1.078 -4.124 235 HA VAL 34 HA VAL 34 16.185 0.159 -5.679 236 HB VAL 34 HB VAL 34 14.877 1.479 -3.329 237 1HG1 VAL 34 1HG1 VAL 34 14.900 3.365 -5.093 238 2HG1 VAL 34 2HG1 VAL 34 16.062 2.338 -5.933 239 3HG1 VAL 34 3HG1 VAL 34 16.407 2.909 -4.301 240 1HG2 VAL 34 1HG2 VAL 34 13.314 2.023 -5.597 241 2HG2 VAL 34 2HG2 VAL 34 12.843 1.121 -4.156 242 3HG2 VAL 34 3HG2 VAL 34 13.504 0.272 -5.550 243 H SER 35 H SER 35 15.782 0.059 -2.153 244 HA SER 35 HA SER 35 18.285 1.016 -1.479 245 1HB SER 35 2HB SER 35 16.580 -1.017 -0.036 246 2HB SER 35 1HB SER 35 17.990 -0.229 0.670 247 HG SER 35 HG SER 35 15.492 0.681 0.512 248 H GLY 36 H GLY 36 17.317 -2.273 -2.311 249 1HA GLY 36 2HA GLY 36 19.694 -3.595 -1.599 250 2HA GLY 36 1HA GLY 36 18.555 -4.141 -2.822 251 H VAL 37 H VAL 37 18.703 -2.057 -4.628 252 HA VAL 37 HA VAL 37 21.202 -2.665 -5.944 253 HB VAL 37 HB VAL 37 20.333 -1.354 -7.808 254 1HG1 VAL 37 1HG1 VAL 37 19.563 -3.529 -7.942 255 2HG1 VAL 37 2HG1 VAL 37 18.070 -2.596 -8.040 256 3HG1 VAL 37 3HG1 VAL 37 18.534 -3.364 -6.520 257 1HG2 VAL 37 1HG2 VAL 37 19.216 0.369 -6.317 258 2HG2 VAL 37 2HG2 VAL 37 17.873 -0.765 -6.178 259 3HG2 VAL 37 3HG2 VAL 37 18.321 -0.119 -7.755 260 H ALA 38 H ALA 38 19.838 -0.063 -4.084 261 HA ALA 38 HA ALA 38 21.722 1.929 -4.947 262 1HB ALA 38 1HB ALA 38 20.736 3.165 -2.929 263 2HB ALA 38 2HB ALA 38 19.630 1.797 -2.805 264 3HB ALA 38 3HB ALA 38 19.656 2.778 -4.270 265 H SER 39 H SER 39 21.691 -0.566 -2.564 266 HA SER 39 HA SER 39 23.669 0.624 -0.851 267 1HB SER 39 2HB SER 39 23.602 -1.449 0.371 268 2HB SER 39 1HB SER 39 21.950 -1.022 -0.070 269 HG SER 39 HG SER 39 23.424 -3.196 -0.770 270 H GLY 40 H GLY 40 23.675 -1.556 -3.593 271 1HA GLY 40 2HA GLY 40 25.545 -1.833 -5.007 272 2HA GLY 40 1HA GLY 40 26.592 -1.328 -3.691 273 H ALA 41 H ALA 41 24.083 -3.747 -3.328 274 HA ALA 41 HA ALA 41 24.145 -5.986 -2.914 275 1HB ALA 41 1HB ALA 41 26.857 -5.909 -4.220 276 2HB ALA 41 2HB ALA 41 25.322 -6.102 -5.066 277 3HB ALA 41 3HB ALA 41 25.867 -7.340 -3.934 278 H GLY 42 H GLY 42 25.765 -3.823 -1.265 279 1HA GLY 42 2HA GLY 42 26.115 -5.118 1.072 280 2HA GLY 42 1HA GLY 42 27.592 -5.519 0.211 281 H SER 43 H SER 43 25.627 -2.576 0.746 282 HA SER 43 HA SER 43 27.561 -1.250 2.283 283 1HB SER 43 2HB SER 43 27.838 -0.981 -0.663 284 2HB SER 43 1HB SER 43 27.990 0.498 0.286 285 HG SER 43 HG SER 43 29.981 -0.205 0.460 286 H ILE 44 H ILE 44 25.359 -1.055 3.205 287 HA ILE 44 HA ILE 44 23.398 0.591 1.972 288 HB ILE 44 HB ILE 44 23.674 0.074 4.930 289 1HG1 ILE 44 2HG1 ILE 44 21.798 -1.710 3.920 290 2HG1 ILE 44 1HG1 ILE 44 23.103 -1.769 2.741 291 1HG2 ILE 44 1HG2 ILE 44 22.051 1.771 4.386 292 2HG2 ILE 44 2HG2 ILE 44 21.211 0.301 4.880 293 3HG2 ILE 44 3HG2 ILE 44 21.313 0.726 3.172 294 1HD1 ILE 44 1HD1 ILE 44 23.174 -2.445 5.654 295 2HD1 ILE 44 2HD1 ILE 44 24.648 -2.093 4.750 296 3HD1 ILE 44 3HD1 ILE 44 23.618 -3.441 4.270 297 H GLY 45 H GLY 45 25.885 1.218 4.435 298 1HA GLY 45 2HA GLY 45 25.215 4.087 4.315 299 2HA GLY 45 1HA GLY 45 26.119 3.301 5.597 300 H ARG 46 H ARG 46 26.931 2.463 2.350 301 HA ARG 46 HA ARG 46 28.839 2.748 1.149 302 1HB ARG 46 2HB ARG 46 27.738 5.122 1.187 303 2HB ARG 46 1HB ARG 46 29.099 5.531 2.221 304 1HG ARG 46 2HG ARG 46 30.660 5.050 0.509 305 2HG ARG 46 1HG ARG 46 29.426 4.281 -0.491 306 1HD ARG 46 2HD ARG 46 28.305 6.684 -0.234 307 2HD ARG 46 1HD ARG 46 29.991 7.154 -0.034 308 HE ARG 46 HE ARG 46 29.725 5.489 -2.294 309 1HH1 ARG 46 1HH1 ARG 46 28.980 8.716 -1.199 310 2HH1 ARG 46 2HH1 ARG 46 29.039 9.406 -2.786 311 1HH2 ARG 46 1HH2 ARG 46 29.804 6.394 -4.386 312 2HH2 ARG 46 2HH2 ARG 46 29.507 8.087 -4.597 313 H ARG 47 H ARG 47 29.203 1.570 3.635 314 HA ARG 47 HA ARG 47 30.784 1.010 5.163 315 1HB ARG 47 2HB ARG 47 32.769 2.353 3.338 316 2HB ARG 47 1HB ARG 47 33.049 1.010 4.436 317 1HG ARG 47 2HG ARG 47 31.150 -0.062 2.852 318 2HG ARG 47 1HG ARG 47 31.942 1.029 1.712 319 1HD ARG 47 2HD ARG 47 33.302 -1.075 3.391 320 2HD ARG 47 1HD ARG 47 32.952 -1.195 1.667 321 HE ARG 47 HE ARG 47 35.079 0.307 2.918 322 1HH1 ARG 47 1HH1 ARG 47 33.139 -0.109 0.045 323 2HH1 ARG 47 2HH1 ARG 47 34.318 0.601 -1.003 324 1HH2 ARG 47 1HH2 ARG 47 36.630 1.240 1.537 325 2HH2 ARG 47 2HH2 ARG 47 36.299 1.366 -0.158 326 HA PRO 48 HA PRO 48 30.957 5.079 7.203 327 1HB PRO 48 2HB PRO 48 30.240 4.221 9.651 328 2HB PRO 48 1HB PRO 48 29.049 4.485 8.371 329 1HG PRO 48 2HG PRO 48 30.285 1.926 9.309 330 2HG PRO 48 1HG PRO 48 28.598 2.264 8.887 331 1HD PRO 48 2HD PRO 48 30.363 1.033 7.201 332 2HD PRO 48 1HD PRO 48 28.978 1.991 6.643 Start of MODEL 13 1 H VAL 1 H VAL 1 0.813 17.406 -16.879 2 HA VAL 1 HA VAL 1 -0.377 15.699 -15.523 3 HB VAL 1 HB VAL 1 2.229 16.745 -14.350 4 1HG1 VAL 1 1HG1 VAL 1 2.453 14.544 -13.320 5 2HG1 VAL 1 2HG1 VAL 1 0.923 15.278 -12.782 6 3HG1 VAL 1 3HG1 VAL 1 0.912 14.014 -14.036 7 1HG2 VAL 1 1HG2 VAL 1 2.285 16.079 -16.748 8 2HG2 VAL 1 2HG2 VAL 1 3.224 14.962 -15.728 9 3HG2 VAL 1 3HG2 VAL 1 1.608 14.492 -16.309 10 H ASN 2 H ASN 2 0.989 16.289 -12.655 11 HA ASN 2 HA ASN 2 0.341 17.126 -10.635 12 1HB ASN 2 2HB ASN 2 -0.383 19.162 -12.080 13 2HB ASN 2 1HB ASN 2 -2.014 18.533 -11.862 14 1HD2 ASN 2 1HD2 ASN 2 0.849 18.938 -9.796 15 2HD2 ASN 2 2HD2 ASN 2 0.014 19.741 -8.515 16 H TYR 3 H TYR 3 -2.597 16.518 -12.561 17 HA TYR 3 HA TYR 3 -4.346 15.116 -12.266 18 1HB TYR 3 2HB TYR 3 -2.224 13.791 -10.692 19 2HB TYR 3 1HB TYR 3 -3.867 13.384 -10.218 20 HD1 TYR 3 1HD TYR 3 -1.324 12.128 -12.026 21 HD2 TYR 3 2HD TYR 3 -5.388 13.223 -12.590 22 HE1 TYR 3 1HE TYR 3 -1.461 10.612 -13.953 23 HE2 TYR 3 2HE TYR 3 -5.538 11.708 -14.519 24 HH TYR 3 HH TYR 3 -2.803 10.319 -15.980 25 H GLY 4 H GLY 4 -3.135 15.270 -8.903 26 1HA GLY 4 2HA GLY 4 -3.943 16.648 -7.178 27 2HA GLY 4 1HA GLY 4 -5.275 17.136 -8.210 28 H ASN 5 H ASN 5 -6.138 14.469 -8.884 29 HA ASN 5 HA ASN 5 -6.666 13.056 -6.449 30 1HB ASN 5 2HB ASN 5 -8.277 15.191 -6.701 31 2HB ASN 5 1HB ASN 5 -9.190 14.030 -7.657 32 1HD2 ASN 5 1HD2 ASN 5 -10.540 14.828 -5.600 33 2HD2 ASN 5 2HD2 ASN 5 -10.525 13.688 -4.301 34 H GLY 6 H GLY 6 -5.636 12.498 -9.068 35 1HA GLY 6 2HA GLY 6 -7.701 10.704 -10.191 36 2HA GLY 6 1HA GLY 6 -6.278 11.288 -11.040 37 H VAL 7 H VAL 7 -4.302 10.809 -9.149 38 HA VAL 7 HA VAL 7 -4.062 7.910 -9.344 39 HB VAL 7 HB VAL 7 -1.756 8.269 -8.455 40 1HG1 VAL 7 1HG1 VAL 7 -2.071 8.174 -10.841 41 2HG1 VAL 7 2HG1 VAL 7 -0.823 9.354 -10.433 42 3HG1 VAL 7 3HG1 VAL 7 -2.437 9.896 -10.877 43 1HG2 VAL 7 1HG2 VAL 7 -1.356 10.119 -7.311 44 2HG2 VAL 7 2HG2 VAL 7 -2.829 10.879 -7.908 45 3HG2 VAL 7 3HG2 VAL 7 -1.341 10.985 -8.848 46 H SER 8 H SER 8 -5.139 6.859 -7.743 47 HA SER 8 HA SER 8 -4.330 7.445 -5.005 48 1HB SER 8 2HB SER 8 -6.513 8.655 -5.498 49 2HB SER 8 1HB SER 8 -7.254 7.066 -5.685 50 HG SER 8 HG SER 8 -5.859 7.923 -3.370 51 H CYS 9 H CYS 9 -6.535 5.611 -4.112 52 HA CYS 9 HA CYS 9 -5.061 3.224 -4.134 53 1HB CYS 9 2HB CYS 9 -7.270 2.223 -3.265 54 2HB CYS 9 1HB CYS 9 -6.507 3.484 -2.299 55 H SER 10 H SER 10 -7.749 4.361 -6.107 56 HA SER 10 HA SER 10 -7.222 2.145 -7.953 57 1HB SER 10 2HB SER 10 -9.805 2.771 -6.615 58 2HB SER 10 1HB SER 10 -9.864 2.269 -8.303 59 HG SER 10 HG SER 10 -8.642 0.410 -7.674 60 H LYS 11 H LYS 11 -7.756 2.542 -10.143 61 HA LYS 11 HA LYS 11 -7.389 5.273 -10.943 62 1HB LYS 11 2HB LYS 11 -6.307 3.428 -12.122 63 2HB LYS 11 1HB LYS 11 -7.877 2.792 -12.590 64 1HG LYS 11 2HG LYS 11 -7.133 3.908 -14.486 65 2HG LYS 11 1HG LYS 11 -8.237 5.057 -13.735 66 1HD LYS 11 2HD LYS 11 -6.236 6.204 -14.453 67 2HD LYS 11 1HD LYS 11 -6.307 6.181 -12.687 68 1HE LYS 11 2HE LYS 11 -4.672 4.496 -12.540 69 2HE LYS 11 1HE LYS 11 -4.807 4.106 -14.254 70 1HZ LYS 11 1HZ LYS 11 -3.657 6.580 -13.086 71 2HZ LYS 11 2HZ LYS 11 -3.893 6.326 -14.742 72 3HZ LYS 11 3HZ LYS 11 -2.814 5.348 -13.883 73 H THR 12 H THR 12 -10.180 3.623 -10.138 74 HA THR 12 HA THR 12 -11.784 5.630 -11.472 75 HB THR 12 HB THR 12 -12.587 2.754 -11.830 76 HG1 THR 12 1HG THR 12 -11.075 4.314 -13.652 77 1HG2 THR 12 1HG2 THR 12 -14.134 4.794 -12.251 78 2HG2 THR 12 2HG2 THR 12 -14.059 3.498 -13.446 79 3HG2 THR 12 3HG2 THR 12 -13.166 4.997 -13.710 80 H LYS 13 H LYS 13 -11.669 6.062 -9.104 81 HA LYS 13 HA LYS 13 -12.847 6.300 -7.166 82 1HB LYS 13 2HB LYS 13 -14.834 5.404 -8.848 83 2HB LYS 13 1HB LYS 13 -14.820 4.160 -7.610 84 1HG LYS 13 2HG LYS 13 -14.847 6.198 -5.981 85 2HG LYS 13 1HG LYS 13 -15.490 7.049 -7.386 86 1HD LYS 13 2HD LYS 13 -17.002 4.800 -7.417 87 2HD LYS 13 1HD LYS 13 -16.730 4.992 -5.683 88 1HE LYS 13 2HE LYS 13 -17.614 7.234 -5.746 89 2HE LYS 13 1HE LYS 13 -17.752 7.169 -7.501 90 1HZ LYS 13 1HZ LYS 13 -19.219 5.326 -5.701 91 2HZ LYS 13 2HZ LYS 13 -19.478 5.584 -7.352 92 3HZ LYS 13 3HZ LYS 13 -19.861 6.797 -6.238 93 H CYS 14 H CYS 14 -13.454 4.877 -5.216 94 HA CYS 14 HA CYS 14 -11.745 2.478 -5.255 95 1HB CYS 14 2HB CYS 14 -11.237 4.763 -3.853 96 2HB CYS 14 1HB CYS 14 -12.133 3.814 -2.663 97 H SER 15 H SER 15 -14.133 1.997 -5.996 98 HA SER 15 HA SER 15 -15.949 1.519 -3.793 99 1HB SER 15 2HB SER 15 -16.107 1.791 -6.643 100 2HB SER 15 1HB SER 15 -16.944 0.334 -6.120 101 HG SER 15 HG SER 15 -18.135 2.438 -6.130 102 H VAL 16 H VAL 16 -13.412 0.015 -4.017 103 HA VAL 16 HA VAL 16 -14.455 -2.557 -3.366 104 HB VAL 16 HB VAL 16 -14.474 -2.761 -5.799 105 1HG1 VAL 16 1HG1 VAL 16 -12.760 -2.250 -7.179 106 2HG1 VAL 16 2HG1 VAL 16 -11.522 -2.656 -5.992 107 3HG1 VAL 16 3HG1 VAL 16 -12.396 -1.126 -5.873 108 1HG2 VAL 16 1HG2 VAL 16 -14.132 -4.818 -4.784 109 2HG2 VAL 16 2HG2 VAL 16 -12.514 -4.393 -4.228 110 3HG2 VAL 16 3HG2 VAL 16 -12.799 -4.729 -5.934 111 H ASN 17 H ASN 17 -13.206 -3.461 -1.900 112 HA ASN 17 HA ASN 17 -10.884 -2.195 -0.931 113 1HB ASN 17 2HB ASN 17 -10.726 -4.062 0.613 114 2HB ASN 17 1HB ASN 17 -12.421 -3.611 0.434 115 1HD2 ASN 17 1HD2 ASN 17 -11.484 -6.111 1.357 116 2HD2 ASN 17 2HD2 ASN 17 -11.984 -7.319 0.229 117 H TRP 18 H TRP 18 -9.118 -4.338 -0.433 118 HA TRP 18 HA TRP 18 -7.431 -5.570 -1.336 119 1HB TRP 18 2HB TRP 18 -9.407 -6.288 -2.997 120 2HB TRP 18 1HB TRP 18 -8.397 -5.410 -4.142 121 HD1 TRP 18 HD TRP 18 -5.988 -6.429 -4.689 122 HE1 TRP 18 1HE TRP 18 -4.978 -8.766 -4.322 123 HE3 TRP 18 3HE TRP 18 -9.445 -8.298 -1.431 124 HZ2 TRP 18 2HZ TRP 18 -5.568 -11.096 -2.851 125 HZ3 TRP 18 3HZ TRP 18 -9.149 -10.598 -0.589 126 HH2 TRP 18 HH TRP 18 -7.248 -11.964 -1.285 127 H GLY 19 H GLY 19 -7.715 -2.558 -1.384 128 1HA GLY 19 2HA GLY 19 -5.953 -1.813 -3.599 129 2HA GLY 19 1HA GLY 19 -6.729 -0.719 -2.463 130 H GLN 20 H GLN 20 -5.953 -1.734 -0.047 131 HA GLN 20 HA GLN 20 -3.348 -0.676 0.212 132 1HB GLN 20 2HB GLN 20 -4.944 -2.361 2.151 133 2HB GLN 20 1HB GLN 20 -3.489 -1.461 2.555 134 1HG GLN 20 2HG GLN 20 -5.660 0.082 1.295 135 2HG GLN 20 1HG GLN 20 -5.973 -0.527 2.920 136 1HE2 GLN 20 1HE2 GLN 20 -5.740 2.202 2.164 137 2HE2 GLN 20 2HE2 GLN 20 -4.384 2.863 3.005 138 H ALA 21 H ALA 21 -4.538 -3.895 -0.327 139 HA ALA 21 HA ALA 21 -2.359 -5.404 0.537 140 1HB ALA 21 1HB ALA 21 -3.819 -6.158 -1.946 141 2HB ALA 21 2HB ALA 21 -4.685 -6.110 -0.412 142 3HB ALA 21 3HB ALA 21 -3.290 -7.173 -0.603 143 H PHE 22 H PHE 22 -3.054 -4.577 -2.858 144 HA PHE 22 HA PHE 22 -0.571 -5.272 -3.863 145 1HB PHE 22 2HB PHE 22 -2.573 -4.726 -5.264 146 2HB PHE 22 1HB PHE 22 -2.271 -3.015 -4.947 147 HD1 PHE 22 1HD PHE 22 -0.399 -6.032 -6.039 148 HD2 PHE 22 2HD PHE 22 -1.069 -1.872 -6.476 149 HE1 PHE 22 1HE PHE 22 1.335 -5.944 -7.752 150 HE2 PHE 22 2HE PHE 22 0.659 -1.770 -8.203 151 HZ PHE 22 HZ PHE 22 1.867 -3.811 -8.859 152 H GLN 23 H GLN 23 -1.486 -2.360 -2.161 153 HA GLN 23 HA GLN 23 0.749 -0.865 -3.107 154 1HB GLN 23 2HB GLN 23 -1.091 -0.424 -0.747 155 2HB GLN 23 1HB GLN 23 0.144 0.721 -1.246 156 1HG GLN 23 2HG GLN 23 -1.805 -0.162 -3.292 157 2HG GLN 23 1HG GLN 23 -2.379 0.913 -2.019 158 1HE2 GLN 23 1HE2 GLN 23 -2.580 1.956 -4.372 159 2HE2 GLN 23 2HE2 GLN 23 -1.331 3.099 -4.714 160 H GLU 24 H GLU 24 0.153 -2.816 -0.219 161 HA GLU 24 HA GLU 24 2.682 -2.118 0.986 162 1HB GLU 24 2HB GLU 24 0.384 -3.060 2.018 163 2HB GLU 24 1HB GLU 24 1.237 -4.584 1.812 164 1HG GLU 24 2HG GLU 24 3.170 -3.264 3.012 165 2HG GLU 24 1HG GLU 24 1.820 -2.306 3.619 166 H ARG 25 H ARG 25 1.317 -4.873 -0.739 167 HA ARG 25 HA ARG 25 3.516 -6.602 -0.634 168 1HB ARG 25 2HB ARG 25 0.972 -6.666 -1.706 169 2HB ARG 25 1HB ARG 25 1.988 -6.682 -3.137 170 1HG ARG 25 2HG ARG 25 2.400 -8.593 -0.854 171 2HG ARG 25 1HG ARG 25 1.314 -8.929 -2.204 172 1HD ARG 25 2HD ARG 25 3.401 -8.297 -3.648 173 2HD ARG 25 1HD ARG 25 4.286 -8.680 -2.173 174 HE ARG 25 HE ARG 25 2.948 -10.531 -3.931 175 1HH1 ARG 25 1HH1 ARG 25 4.213 -10.009 -0.719 176 2HH1 ARG 25 2HH1 ARG 25 4.412 -11.697 -0.390 177 1HH2 ARG 25 1HH2 ARG 25 3.206 -12.748 -3.498 178 2HH2 ARG 25 2HH2 ARG 25 3.842 -13.253 -1.968 179 H TYR 26 H TYR 26 2.475 -4.478 -3.249 180 HA TYR 26 HA TYR 26 4.648 -4.949 -4.929 181 1HB TYR 26 2HB TYR 26 3.437 -3.785 -6.351 182 2HB TYR 26 1HB TYR 26 2.226 -3.860 -5.094 183 HD1 TYR 26 1HD TYR 26 2.759 -1.767 -3.314 184 HD2 TYR 26 2HD TYR 26 3.349 -1.841 -7.501 185 HE1 TYR 26 1HE TYR 26 2.456 0.658 -3.372 186 HE2 TYR 26 2HE TYR 26 3.059 0.591 -7.601 187 HH TYR 26 HH TYR 26 1.676 2.388 -5.353 188 H THR 27 H THR 27 4.216 -2.452 -2.485 189 HA THR 27 HA THR 27 6.506 -0.949 -3.231 190 HB THR 27 HB THR 27 6.425 -0.225 -0.745 191 HG1 THR 27 1HG THR 27 5.171 -1.987 -0.026 192 1HG2 THR 27 1HG2 THR 27 4.820 0.512 -2.967 193 2HG2 THR 27 2HG2 THR 27 5.396 1.504 -1.628 194 3HG2 THR 27 3HG2 THR 27 3.868 0.629 -1.492 195 H ALA 28 H ALA 28 5.962 -3.554 -0.913 196 HA ALA 28 HA ALA 28 8.476 -3.687 0.233 197 1HB ALA 28 1HB ALA 28 6.769 -5.046 1.139 198 2HB ALA 28 2HB ALA 28 7.975 -6.159 0.493 199 3HB ALA 28 3HB ALA 28 6.488 -5.852 -0.404 200 H GLY 29 H GLY 29 7.343 -5.133 -2.801 201 1HA GLY 29 2HA GLY 29 9.879 -6.375 -3.362 202 2HA GLY 29 1HA GLY 29 8.498 -6.275 -4.444 203 H ILE 30 H ILE 30 8.141 -3.525 -4.583 204 HA ILE 30 HA ILE 30 10.162 -2.824 -6.480 205 HB ILE 30 HB ILE 30 7.908 -1.180 -5.316 206 1HG1 ILE 30 2HG1 ILE 30 7.241 -3.187 -6.633 207 2HG1 ILE 30 1HG1 ILE 30 6.742 -1.673 -7.381 208 1HG2 ILE 30 1HG2 ILE 30 8.272 0.332 -7.220 209 2HG2 ILE 30 2HG2 ILE 30 9.704 -0.598 -7.667 210 3HG2 ILE 30 3HG2 ILE 30 9.663 0.278 -6.136 211 1HD1 ILE 30 1HD1 ILE 30 8.999 -1.944 -8.686 212 2HD1 ILE 30 2HD1 ILE 30 7.545 -2.805 -9.189 213 3HD1 ILE 30 3HD1 ILE 30 8.786 -3.642 -8.258 214 H ASN 31 H ASN 31 9.177 -1.360 -3.354 215 HA ASN 31 HA ASN 31 11.189 0.563 -3.255 216 1HB ASN 31 2HB ASN 31 9.125 -0.139 -1.612 217 2HB ASN 31 1HB ASN 31 10.515 -0.641 -0.653 218 1HD2 ASN 31 1HD2 ASN 31 8.556 1.575 -0.336 219 2HD2 ASN 31 2HD2 ASN 31 9.520 3.000 -0.174 220 H SER 32 H SER 32 11.214 -2.741 -1.875 221 HA SER 32 HA SER 32 13.754 -2.665 -0.759 222 1HB SER 32 2HB SER 32 12.307 -5.000 -2.028 223 2HB SER 32 1HB SER 32 13.766 -5.150 -1.047 224 HG SER 32 HG SER 32 11.175 -4.752 -0.273 225 H PHE 33 H PHE 33 12.799 -3.361 -4.087 226 HA PHE 33 HA PHE 33 15.244 -4.244 -5.081 227 1HB PHE 33 2HB PHE 33 13.812 -4.471 -6.812 228 2HB PHE 33 1HB PHE 33 12.744 -3.214 -6.198 229 HD1 PHE 33 1HD PHE 33 15.894 -3.733 -8.090 230 HD2 PHE 33 2HD PHE 33 12.635 -1.137 -7.246 231 HE1 PHE 33 1HE PHE 33 16.635 -2.220 -9.880 232 HE2 PHE 33 2HE PHE 33 13.367 0.373 -9.031 233 HZ PHE 33 HZ PHE 33 15.368 -0.165 -10.357 234 H VAL 34 H VAL 34 14.074 -0.988 -4.469 235 HA VAL 34 HA VAL 34 16.264 0.347 -5.765 236 HB VAL 34 HB VAL 34 14.550 1.584 -3.635 237 1HG1 VAL 34 1HG1 VAL 34 14.856 3.582 -5.033 238 2HG1 VAL 34 2HG1 VAL 34 15.859 2.636 -6.132 239 3HG1 VAL 34 3HG1 VAL 34 16.385 2.905 -4.471 240 1HG2 VAL 34 1HG2 VAL 34 12.949 0.489 -5.011 241 2HG2 VAL 34 2HG2 VAL 34 13.782 0.980 -6.485 242 3HG2 VAL 34 3HG2 VAL 34 12.967 2.187 -5.494 243 H SER 35 H SER 35 15.330 0.117 -2.351 244 HA SER 35 HA SER 35 17.711 1.141 -1.307 245 1HB SER 35 2HB SER 35 16.053 -0.989 0.037 246 2HB SER 35 1HB SER 35 17.023 0.274 0.797 247 HG SER 35 HG SER 35 14.464 0.369 0.079 248 H GLY 36 H GLY 36 16.808 -2.131 -2.236 249 1HA GLY 36 2HA GLY 36 19.009 -3.517 -1.191 250 2HA GLY 36 1HA GLY 36 18.056 -4.025 -2.580 251 H VAL 37 H VAL 37 18.555 -1.909 -4.316 252 HA VAL 37 HA VAL 37 21.210 -2.610 -5.225 253 HB VAL 37 HB VAL 37 20.714 -1.301 -7.200 254 1HG1 VAL 37 1HG1 VAL 37 19.737 -3.253 -7.711 255 2HG1 VAL 37 2HG1 VAL 37 18.231 -2.353 -7.534 256 3HG1 VAL 37 3HG1 VAL 37 18.845 -3.323 -6.191 257 1HG2 VAL 37 1HG2 VAL 37 19.534 0.555 -5.981 258 2HG2 VAL 37 2HG2 VAL 37 18.104 -0.475 -5.936 259 3HG2 VAL 37 3HG2 VAL 37 18.765 0.045 -7.483 260 H ALA 38 H ALA 38 19.613 0.054 -3.647 261 HA ALA 38 HA ALA 38 21.727 1.950 -4.091 262 1HB ALA 38 1HB ALA 38 19.583 2.873 -3.847 263 2HB ALA 38 2HB ALA 38 20.414 3.254 -2.338 264 3HB ALA 38 3HB ALA 38 19.251 1.930 -2.394 265 H SER 39 H SER 39 21.062 -0.533 -1.791 266 HA SER 39 HA SER 39 22.576 0.491 0.383 267 1HB SER 39 2HB SER 39 21.382 -2.144 -0.336 268 2HB SER 39 1HB SER 39 22.634 -2.119 0.905 269 HG SER 39 HG SER 39 20.577 -1.847 1.825 270 H GLY 40 H GLY 40 23.362 -1.538 -2.393 271 1HA GLY 40 2HA GLY 40 25.710 -1.167 -3.186 272 2HA GLY 40 1HA GLY 40 26.198 -1.485 -1.531 273 H ALA 41 H ALA 41 23.665 -3.515 -2.129 274 HA ALA 41 HA ALA 41 23.509 -5.767 -2.470 275 1HB ALA 41 1HB ALA 41 25.722 -5.311 -4.452 276 2HB ALA 41 2HB ALA 41 24.011 -5.032 -4.772 277 3HB ALA 41 3HB ALA 41 24.587 -6.661 -4.420 278 H GLY 42 H GLY 42 25.581 -4.636 -0.578 279 1HA GLY 42 2HA GLY 42 27.777 -6.474 -0.589 280 2HA GLY 42 1HA GLY 42 27.367 -5.350 0.697 281 H SER 43 H SER 43 25.701 -5.961 2.198 282 HA SER 43 HA SER 43 24.454 -8.442 2.328 283 1HB SER 43 2HB SER 43 27.238 -8.415 3.404 284 2HB SER 43 1HB SER 43 26.010 -9.313 4.292 285 HG SER 43 HG SER 43 25.661 -10.584 2.514 286 H ILE 44 H ILE 44 23.264 -6.313 2.919 287 HA ILE 44 HA ILE 44 23.310 -6.012 5.860 288 HB ILE 44 HB ILE 44 22.356 -3.937 3.887 289 1HG1 ILE 44 2HG1 ILE 44 24.947 -3.900 5.438 290 2HG1 ILE 44 1HG1 ILE 44 24.837 -4.445 3.767 291 1HG2 ILE 44 1HG2 ILE 44 22.748 -2.499 6.002 292 2HG2 ILE 44 2HG2 ILE 44 22.668 -4.038 6.860 293 3HG2 ILE 44 3HG2 ILE 44 21.294 -3.492 5.897 294 1HD1 ILE 44 1HD1 ILE 44 24.250 -2.300 3.005 295 2HD1 ILE 44 2HD1 ILE 44 25.580 -2.065 4.139 296 3HD1 ILE 44 3HD1 ILE 44 23.923 -1.724 4.639 297 H GLY 45 H GLY 45 21.288 -6.086 2.953 298 1HA GLY 45 2HA GLY 45 18.785 -5.889 4.170 299 2HA GLY 45 1HA GLY 45 19.103 -6.698 2.645 300 H ARG 46 H ARG 46 20.973 -8.593 3.997 301 HA ARG 46 HA ARG 46 20.903 -10.678 4.892 302 1HB ARG 46 2HB ARG 46 20.089 -9.217 6.887 303 2HB ARG 46 1HB ARG 46 18.512 -9.902 6.533 304 1HG ARG 46 2HG ARG 46 19.377 -11.279 8.195 305 2HG ARG 46 1HG ARG 46 19.665 -12.176 6.703 306 1HD ARG 46 2HD ARG 46 21.964 -10.886 6.776 307 2HD ARG 46 1HD ARG 46 21.597 -10.791 8.497 308 HE ARG 46 HE ARG 46 21.226 -13.412 7.912 309 1HH1 ARG 46 1HH1 ARG 46 23.864 -11.182 7.411 310 2HH1 ARG 46 2HH1 ARG 46 25.083 -12.406 7.514 311 1HH2 ARG 46 1HH2 ARG 46 22.829 -15.025 8.048 312 2HH2 ARG 46 2HH2 ARG 46 24.496 -14.588 7.875 313 H ARG 47 H ARG 47 20.099 -11.104 2.632 314 HA ARG 47 HA ARG 47 17.312 -11.770 2.369 315 1HB ARG 47 2HB ARG 47 19.686 -11.819 0.560 316 2HB ARG 47 1HB ARG 47 18.275 -12.773 0.127 317 1HG ARG 47 2HG ARG 47 17.097 -10.420 0.688 318 2HG ARG 47 1HG ARG 47 18.669 -9.858 0.118 319 1HD ARG 47 2HD ARG 47 18.397 -10.945 -1.972 320 2HD ARG 47 1HD ARG 47 16.994 -11.844 -1.396 321 HE ARG 47 HE ARG 47 15.677 -10.002 -1.791 322 1HH1 ARG 47 1HH1 ARG 47 19.040 -9.093 -2.034 323 2HH1 ARG 47 2HH1 ARG 47 18.698 -7.533 -2.699 324 1HH2 ARG 47 1HH2 ARG 47 15.228 -7.948 -2.661 325 2HH2 ARG 47 2HH2 ARG 47 16.534 -6.881 -3.054 326 HA PRO 48 HA PRO 48 19.009 -16.230 2.330 327 1HB PRO 48 2HB PRO 48 21.584 -16.717 2.909 328 2HB PRO 48 1HB PRO 48 21.072 -16.247 1.282 329 1HG PRO 48 2HG PRO 48 22.316 -14.581 3.433 330 2HG PRO 48 1HG PRO 48 22.646 -14.590 1.692 331 1HD PRO 48 2HD PRO 48 21.049 -12.744 2.944 332 2HD PRO 48 1HD PRO 48 20.899 -13.190 1.231 Start of MODEL 14 1 H VAL 1 H VAL 1 -1.505 0.836 8.878 2 HA VAL 1 HA VAL 1 -3.767 1.800 9.234 3 HB VAL 1 HB VAL 1 -4.674 1.363 7.001 4 1HG1 VAL 1 1HG1 VAL 1 -2.546 1.768 5.680 5 2HG1 VAL 1 2HG1 VAL 1 -2.763 2.845 7.080 6 3HG1 VAL 1 3HG1 VAL 1 -1.636 1.471 7.180 7 1HG2 VAL 1 1HG2 VAL 1 -4.538 -0.990 6.749 8 2HG2 VAL 1 2HG2 VAL 1 -3.330 -0.365 5.601 9 3HG2 VAL 1 3HG2 VAL 1 -2.809 -1.022 7.171 10 H ASN 2 H ASN 2 -5.441 -0.378 7.488 11 HA ASN 2 HA ASN 2 -7.004 -1.969 7.889 12 1HB ASN 2 2HB ASN 2 -5.065 -2.691 9.675 13 2HB ASN 2 1HB ASN 2 -6.447 -2.429 10.738 14 1HD2 ASN 2 1HD2 ASN 2 -5.069 -4.904 10.019 15 2HD2 ASN 2 2HD2 ASN 2 -6.277 -5.943 9.350 16 H TYR 3 H TYR 3 -6.600 -0.141 10.919 17 HA TYR 3 HA TYR 3 -8.040 1.133 12.134 18 1HB TYR 3 2HB TYR 3 -9.102 1.360 9.375 19 2HB TYR 3 1HB TYR 3 -10.199 1.795 10.675 20 HD1 TYR 3 1HD TYR 3 -6.535 2.325 10.152 21 HD2 TYR 3 2HD TYR 3 -10.337 4.083 10.882 22 HE1 TYR 3 1HE TYR 3 -5.472 4.530 10.325 23 HE2 TYR 3 2HE TYR 3 -9.283 6.297 11.057 24 HH TYR 3 HH TYR 3 -6.380 6.909 11.689 25 H GLY 4 H GLY 4 -8.956 -0.008 13.716 26 1HA GLY 4 2HA GLY 4 -11.152 -1.891 13.054 27 2HA GLY 4 1HA GLY 4 -10.109 -2.011 14.465 28 H ASN 5 H ASN 5 -12.537 0.076 12.955 29 HA ASN 5 HA ASN 5 -13.886 0.431 15.463 30 1HB ASN 5 2HB ASN 5 -11.924 2.091 15.457 31 2HB ASN 5 1HB ASN 5 -12.819 2.937 14.201 32 1HD2 ASN 5 1HD2 ASN 5 -13.287 4.748 15.324 33 2HD2 ASN 5 2HD2 ASN 5 -14.308 4.779 16.718 34 H GLY 6 H GLY 6 -13.408 1.990 12.314 35 1HA GLY 6 2HA GLY 6 -15.306 1.461 10.715 36 2HA GLY 6 1HA GLY 6 -16.329 2.140 11.986 37 H VAL 7 H VAL 7 -14.315 2.808 9.348 38 HA VAL 7 HA VAL 7 -13.995 5.625 9.962 39 HB VAL 7 HB VAL 7 -13.002 5.763 7.666 40 1HG1 VAL 7 1HG1 VAL 7 -11.814 3.667 9.475 41 2HG1 VAL 7 2HG1 VAL 7 -11.633 5.412 9.655 42 3HG1 VAL 7 3HG1 VAL 7 -10.949 4.595 8.249 43 1HG2 VAL 7 1HG2 VAL 7 -12.367 3.400 6.755 44 2HG2 VAL 7 2HG2 VAL 7 -13.945 4.088 6.379 45 3HG2 VAL 7 3HG2 VAL 7 -13.794 2.875 7.648 46 H SER 8 H SER 8 -15.957 3.509 8.024 47 HA SER 8 HA SER 8 -17.800 3.821 6.730 48 1HB SER 8 2HB SER 8 -19.513 5.161 7.691 49 2HB SER 8 1HB SER 8 -18.560 4.555 9.042 50 HG SER 8 HG SER 8 -17.855 6.523 9.449 51 H CYS 9 H CYS 9 -17.485 4.428 4.690 52 HA CYS 9 HA CYS 9 -16.524 7.123 4.124 53 1HB CYS 9 2HB CYS 9 -16.679 4.578 2.550 54 2HB CYS 9 1HB CYS 9 -16.601 6.113 1.689 55 H SER 10 H SER 10 -17.532 8.155 2.124 56 HA SER 10 HA SER 10 -20.432 8.103 2.509 57 1HB SER 10 2HB SER 10 -19.556 10.302 2.757 58 2HB SER 10 1HB SER 10 -18.567 10.148 1.305 59 HG SER 10 HG SER 10 -21.405 10.117 1.338 60 H LYS 11 H LYS 11 -18.021 8.159 -0.103 61 HA LYS 11 HA LYS 11 -19.971 7.611 -2.124 62 1HB LYS 11 2HB LYS 11 -17.686 8.855 -2.305 63 2HB LYS 11 1HB LYS 11 -17.042 7.239 -2.566 64 1HG LYS 11 2HG LYS 11 -18.515 6.929 -4.469 65 2HG LYS 11 1HG LYS 11 -19.224 8.521 -4.196 66 1HD LYS 11 2HD LYS 11 -16.663 9.245 -4.364 67 2HD LYS 11 1HD LYS 11 -16.590 7.777 -5.343 68 1HE LYS 11 2HE LYS 11 -17.096 9.379 -6.929 69 2HE LYS 11 1HE LYS 11 -18.694 8.765 -6.505 70 1HZ LYS 11 1HZ LYS 11 -18.734 10.670 -4.836 71 2HZ LYS 11 2HZ LYS 11 -18.924 11.065 -6.470 72 3HZ LYS 11 3HZ LYS 11 -17.435 11.315 -5.707 73 H THR 12 H THR 12 -18.478 5.547 0.089 74 HA THR 12 HA THR 12 -18.157 3.302 0.200 75 HB THR 12 HB THR 12 -20.598 3.284 -0.039 76 HG1 THR 12 1HG THR 12 -20.620 1.177 -0.276 77 1HG2 THR 12 1HG2 THR 12 -21.124 4.226 -2.107 78 2HG2 THR 12 2HG2 THR 12 -21.496 2.514 -2.288 79 3HG2 THR 12 3HG2 THR 12 -20.006 3.170 -2.970 80 H LYS 13 H LYS 13 -16.268 4.387 -1.337 81 HA LYS 13 HA LYS 13 -15.564 2.201 -3.066 82 1HB LYS 13 2HB LYS 13 -16.966 4.083 -4.354 83 2HB LYS 13 1HB LYS 13 -15.375 4.822 -4.453 84 1HG LYS 13 2HG LYS 13 -14.511 3.032 -5.703 85 2HG LYS 13 1HG LYS 13 -15.878 1.990 -5.303 86 1HD LYS 13 2HD LYS 13 -16.874 2.645 -7.182 87 2HD LYS 13 1HD LYS 13 -16.966 4.278 -6.522 88 1HE LYS 13 2HE LYS 13 -14.398 4.224 -7.371 89 2HE LYS 13 1HE LYS 13 -15.153 3.149 -8.546 90 1HZ LYS 13 1HZ LYS 13 -15.372 5.227 -9.501 91 2HZ LYS 13 2HZ LYS 13 -15.702 5.999 -8.033 92 3HZ LYS 13 3HZ LYS 13 -16.877 5.021 -8.755 93 H CYS 14 H CYS 14 -14.523 3.202 -0.685 94 HA CYS 14 HA CYS 14 -12.178 4.775 -1.342 95 1HB CYS 14 2HB CYS 14 -13.110 3.581 1.264 96 2HB CYS 14 1HB CYS 14 -11.757 4.699 1.095 97 H SER 15 H SER 15 -12.638 1.762 0.496 98 HA SER 15 HA SER 15 -10.071 0.798 -0.591 99 1HB SER 15 2HB SER 15 -9.863 0.900 1.757 100 2HB SER 15 1HB SER 15 -11.495 0.289 2.018 101 HG SER 15 HG SER 15 -10.602 -1.597 2.146 102 H VAL 16 H VAL 16 -10.027 -1.741 -0.519 103 HA VAL 16 HA VAL 16 -12.490 -3.085 -1.046 104 HB VAL 16 HB VAL 16 -12.245 -1.873 -3.175 105 1HG1 VAL 16 1HG1 VAL 16 -9.770 -3.484 -3.714 106 2HG1 VAL 16 2HG1 VAL 16 -9.712 -1.852 -3.044 107 3HG1 VAL 16 3HG1 VAL 16 -10.429 -2.129 -4.631 108 1HG2 VAL 16 1HG2 VAL 16 -13.015 -4.400 -2.860 109 2HG2 VAL 16 2HG2 VAL 16 -11.651 -4.675 -3.943 110 3HG2 VAL 16 3HG2 VAL 16 -12.972 -3.616 -4.439 111 H ASN 17 H ASN 17 -10.197 -3.389 0.645 112 HA ASN 17 HA ASN 17 -8.930 -5.054 1.514 113 1HB ASN 17 2HB ASN 17 -10.927 -6.404 -0.018 114 2HB ASN 17 1HB ASN 17 -9.397 -7.264 -0.217 115 1HD2 ASN 17 1HD2 ASN 17 -11.833 -6.223 2.032 116 2HD2 ASN 17 2HD2 ASN 17 -11.358 -7.253 3.336 117 H TRP 18 H TRP 18 -8.914 -5.986 -1.926 118 HA TRP 18 HA TRP 18 -6.239 -6.670 -2.078 119 1HB TRP 18 2HB TRP 18 -8.371 -6.500 -3.871 120 2HB TRP 18 1HB TRP 18 -7.152 -5.428 -4.553 121 HD1 TRP 18 HD TRP 18 -4.738 -6.567 -5.140 122 HE1 TRP 18 1HE TRP 18 -4.160 -8.983 -5.810 123 HE3 TRP 18 3HE TRP 18 -9.007 -8.895 -3.564 124 HZ2 TRP 18 2HZ TRP 18 -5.353 -11.534 -5.691 125 HZ3 TRP 18 3HZ TRP 18 -9.209 -11.326 -3.880 126 HH2 TRP 18 HH TRP 18 -7.418 -12.617 -4.921 127 H GLY 19 H GLY 19 -7.623 -3.488 -1.943 128 1HA GLY 19 2HA GLY 19 -5.688 -1.967 -3.253 129 2HA GLY 19 1HA GLY 19 -6.669 -1.401 -1.912 130 H GLN 20 H GLN 20 -5.875 -2.425 0.281 131 HA GLN 20 HA GLN 20 -3.329 -1.339 0.777 132 1HB GLN 20 2HB GLN 20 -4.891 -3.300 2.473 133 2HB GLN 20 1HB GLN 20 -3.561 -2.291 3.024 134 1HG GLN 20 2HG GLN 20 -6.033 -1.088 1.836 135 2HG GLN 20 1HG GLN 20 -5.958 -1.546 3.538 136 1HE2 GLN 20 1HE2 GLN 20 -5.925 0.376 4.527 137 2HE2 GLN 20 2HE2 GLN 20 -4.743 1.607 4.263 138 H ALA 21 H ALA 21 -4.398 -4.548 -0.041 139 HA ALA 21 HA ALA 21 -2.107 -6.004 0.708 140 1HB ALA 21 1HB ALA 21 -4.129 -7.169 0.239 141 2HB ALA 21 2HB ALA 21 -2.941 -7.668 -0.966 142 3HB ALA 21 3HB ALA 21 -4.197 -6.508 -1.395 143 H PHE 22 H PHE 22 -3.038 -5.082 -2.625 144 HA PHE 22 HA PHE 22 -0.644 -5.773 -3.800 145 1HB PHE 22 2HB PHE 22 -2.718 -5.071 -5.056 146 2HB PHE 22 1HB PHE 22 -2.291 -3.396 -4.706 147 HD1 PHE 22 1HD PHE 22 -1.691 -2.434 -6.682 148 HD2 PHE 22 2HD PHE 22 -0.165 -6.278 -5.746 149 HE1 PHE 22 1HE PHE 22 -0.242 -2.326 -8.637 150 HE2 PHE 22 2HE PHE 22 1.291 -6.179 -7.703 151 HZ PHE 22 HZ PHE 22 1.251 -4.204 -9.175 152 H GLN 23 H GLN 23 -1.482 -2.599 -2.358 153 HA GLN 23 HA GLN 23 0.885 -1.347 -3.265 154 1HB GLN 23 2HB GLN 23 -1.393 -0.420 -2.084 155 2HB GLN 23 1HB GLN 23 -0.263 -0.311 -0.744 156 1HG GLN 23 2HG GLN 23 1.074 1.246 -1.820 157 2HG GLN 23 1HG GLN 23 0.452 0.828 -3.410 158 1HE2 GLN 23 1HE2 GLN 23 0.466 3.188 -1.214 159 2HE2 GLN 23 2HE2 GLN 23 -1.063 3.927 -1.531 160 H GLU 24 H GLU 24 0.100 -3.109 -0.324 161 HA GLU 24 HA GLU 24 2.547 -2.470 1.010 162 1HB GLU 24 2HB GLU 24 0.274 -3.373 1.970 163 2HB GLU 24 1HB GLU 24 0.965 -4.947 1.599 164 1HG GLU 24 2HG GLU 24 2.500 -4.818 3.255 165 2HG GLU 24 1HG GLU 24 2.660 -3.068 3.122 166 H ARG 25 H ARG 25 1.465 -4.847 -1.257 167 HA ARG 25 HA ARG 25 3.704 -6.613 -0.934 168 1HB ARG 25 2HB ARG 25 1.156 -6.825 -1.989 169 2HB ARG 25 1HB ARG 25 2.177 -6.844 -3.424 170 1HG ARG 25 2HG ARG 25 3.548 -8.575 -1.943 171 2HG ARG 25 1HG ARG 25 1.958 -8.806 -1.216 172 1HD ARG 25 2HD ARG 25 1.030 -9.233 -3.466 173 2HD ARG 25 1HD ARG 25 2.653 -9.080 -4.140 174 HE ARG 25 HE ARG 25 2.966 -11.001 -2.274 175 1HH1 ARG 25 1HH1 ARG 25 0.671 -10.593 -4.871 176 2HH1 ARG 25 2HH1 ARG 25 0.455 -12.294 -5.115 177 1HH2 ARG 25 1HH2 ARG 25 2.682 -13.241 -2.595 178 2HH2 ARG 25 2HH2 ARG 25 1.595 -13.796 -3.824 179 H TYR 26 H TYR 26 2.590 -4.442 -3.540 180 HA TYR 26 HA TYR 26 4.963 -4.776 -5.095 181 1HB TYR 26 2HB TYR 26 3.837 -3.672 -6.692 182 2HB TYR 26 1HB TYR 26 2.487 -4.035 -5.644 183 HD1 TYR 26 1HD TYR 26 4.921 -1.284 -6.378 184 HD2 TYR 26 2HD TYR 26 1.083 -2.312 -4.972 185 HE1 TYR 26 1HE TYR 26 4.242 1.077 -6.409 186 HE2 TYR 26 2HE TYR 26 0.366 -0.017 -5.036 187 HH TYR 26 HH TYR 26 1.629 2.279 -4.863 188 H THR 27 H THR 27 3.706 -1.957 -3.273 189 HA THR 27 HA THR 27 5.912 -0.325 -3.737 190 HB THR 27 HB THR 27 4.417 -0.207 -1.141 191 HG1 THR 27 1HG THR 27 2.650 -0.161 -2.243 192 1HG2 THR 27 1HG2 THR 27 4.444 2.279 -2.298 193 2HG2 THR 27 2HG2 THR 27 6.015 1.606 -2.739 194 3HG2 THR 27 3HG2 THR 27 5.540 1.700 -1.043 195 H ALA 28 H ALA 28 5.540 -3.012 -1.588 196 HA ALA 28 HA ALA 28 7.804 -2.300 0.042 197 1HB ALA 28 1HB ALA 28 6.058 -3.655 1.023 198 2HB ALA 28 2HB ALA 28 7.561 -4.577 0.978 199 3HB ALA 28 3HB ALA 28 6.291 -4.901 -0.203 200 H GLY 29 H GLY 29 7.190 -4.236 -2.812 201 1HA GLY 29 2HA GLY 29 9.838 -5.414 -2.830 202 2HA GLY 29 1HA GLY 29 8.604 -5.589 -4.067 203 H ILE 30 H ILE 30 8.132 -2.898 -4.677 204 HA ILE 30 HA ILE 30 10.239 -2.399 -6.506 205 HB ILE 30 HB ILE 30 7.917 -1.727 -6.940 206 1HG1 ILE 30 2HG1 ILE 30 8.418 0.596 -7.766 207 2HG1 ILE 30 1HG1 ILE 30 9.949 0.512 -6.900 208 1HG2 ILE 30 1HG2 ILE 30 6.768 -0.108 -5.767 209 2HG2 ILE 30 2HG2 ILE 30 8.239 0.606 -5.105 210 3HG2 ILE 30 3HG2 ILE 30 7.650 -0.936 -4.484 211 1HD1 ILE 30 1HD1 ILE 30 10.902 -0.635 -8.538 212 2HD1 ILE 30 2HD1 ILE 30 9.476 -0.265 -9.506 213 3HD1 ILE 30 3HD1 ILE 30 9.565 -1.782 -8.612 214 H ASN 31 H ASN 31 9.341 -0.901 -3.415 215 HA ASN 31 HA ASN 31 11.368 1.105 -3.568 216 1HB ASN 31 2HB ASN 31 9.162 0.902 -2.062 217 2HB ASN 31 1HB ASN 31 10.327 0.246 -0.910 218 1HD2 ASN 31 1HD2 ASN 31 8.846 2.982 -1.956 219 2HD2 ASN 31 2HD2 ASN 31 9.972 4.160 -1.382 220 H SER 32 H SER 32 11.088 -2.066 -2.027 221 HA SER 32 HA SER 32 13.578 -1.976 -0.697 222 1HB SER 32 2HB SER 32 11.876 -4.313 -1.594 223 2HB SER 32 1HB SER 32 13.345 -4.495 -0.638 224 HG SER 32 HG SER 32 12.149 -4.101 1.030 225 H PHE 33 H PHE 33 12.662 -2.804 -3.963 226 HA PHE 33 HA PHE 33 14.963 -4.210 -4.737 227 1HB PHE 33 2HB PHE 33 13.611 -4.380 -6.527 228 2HB PHE 33 1HB PHE 33 12.667 -2.986 -6.028 229 HD1 PHE 33 1HD PHE 33 12.671 -1.091 -7.345 230 HD2 PHE 33 2HD PHE 33 15.871 -3.856 -7.732 231 HE1 PHE 33 1HE PHE 33 13.525 0.185 -9.247 232 HE2 PHE 33 2HE PHE 33 16.734 -2.582 -9.652 233 HZ PHE 33 HZ PHE 33 15.556 -0.559 -10.415 234 H VAL 34 H VAL 34 14.242 -0.763 -4.612 235 HA VAL 34 HA VAL 34 16.652 0.139 -5.827 236 HB VAL 34 HB VAL 34 15.144 1.750 -3.797 237 1HG1 VAL 34 1HG1 VAL 34 15.814 3.601 -5.171 238 2HG1 VAL 34 2HG1 VAL 34 16.447 2.511 -6.404 239 3HG1 VAL 34 3HG1 VAL 34 17.227 2.603 -4.824 240 1HG2 VAL 34 1HG2 VAL 34 13.700 2.487 -5.774 241 2HG2 VAL 34 2HG2 VAL 34 13.334 0.910 -5.069 242 3HG2 VAL 34 3HG2 VAL 34 14.237 1.017 -6.575 243 H SER 35 H SER 35 15.682 0.338 -2.415 244 HA SER 35 HA SER 35 18.205 1.005 -1.436 245 1HB SER 35 2HB SER 35 15.989 -0.533 -0.077 246 2HB SER 35 1HB SER 35 17.387 0.151 0.751 247 HG SER 35 HG SER 35 15.523 1.648 -0.780 248 H GLY 36 H GLY 36 16.791 -2.117 -2.199 249 1HA GLY 36 2HA GLY 36 18.734 -3.756 -0.965 250 2HA GLY 36 1HA GLY 36 17.705 -4.226 -2.312 251 H VAL 37 H VAL 37 18.515 -2.375 -4.221 252 HA VAL 37 HA VAL 37 21.021 -3.556 -5.054 253 HB VAL 37 HB VAL 37 20.727 -2.350 -7.128 254 1HG1 VAL 37 1HG1 VAL 37 18.493 -3.890 -5.970 255 2HG1 VAL 37 2HG1 VAL 37 19.463 -4.196 -7.410 256 3HG1 VAL 37 3HG1 VAL 37 18.152 -3.015 -7.467 257 1HG2 VAL 37 1HG2 VAL 37 18.297 -1.005 -5.955 258 2HG2 VAL 37 2HG2 VAL 37 19.027 -0.731 -7.533 259 3HG2 VAL 37 3HG2 VAL 37 19.879 -0.232 -6.072 260 H ALA 38 H ALA 38 19.900 -0.583 -3.634 261 HA ALA 38 HA ALA 38 22.228 0.969 -4.271 262 1HB ALA 38 1HB ALA 38 21.212 2.519 -2.517 263 2HB ALA 38 2HB ALA 38 19.869 1.377 -2.464 264 3HB ALA 38 3HB ALA 38 20.268 2.201 -3.972 265 H SER 39 H SER 39 21.391 -1.278 -1.769 266 HA SER 39 HA SER 39 23.276 -0.301 0.160 267 1HB SER 39 2HB SER 39 21.792 -2.929 -0.040 268 2HB SER 39 1HB SER 39 22.812 -2.471 1.323 269 HG SER 39 HG SER 39 20.426 -2.026 1.404 270 H GLY 40 H GLY 40 23.241 -2.913 -2.231 271 1HA GLY 40 2HA GLY 40 25.909 -3.770 -1.507 272 2HA GLY 40 1HA GLY 40 24.919 -4.417 -2.806 273 H ALA 41 H ALA 41 24.418 -2.231 -4.352 274 HA ALA 41 HA ALA 41 26.886 -1.927 -5.735 275 1HB ALA 41 1HB ALA 41 24.508 -0.201 -6.291 276 2HB ALA 41 2HB ALA 41 24.457 -1.927 -6.654 277 3HB ALA 41 3HB ALA 41 25.673 -0.901 -7.415 278 H GLY 42 H GLY 42 24.743 0.532 -4.276 279 1HA GLY 42 2HA GLY 42 25.459 2.293 -2.868 280 2HA GLY 42 1HA GLY 42 27.113 2.000 -3.385 281 H SER 43 H SER 43 24.173 2.552 -5.310 282 HA SER 43 HA SER 43 25.440 4.231 -7.157 283 1HB SER 43 2HB SER 43 23.036 3.018 -7.100 284 2HB SER 43 1HB SER 43 22.538 4.661 -6.690 285 HG SER 43 HG SER 43 22.729 5.088 -8.727 286 H ILE 44 H ILE 44 23.226 5.111 -4.498 287 HA ILE 44 HA ILE 44 24.766 7.366 -3.780 288 HB ILE 44 HB ILE 44 23.504 7.994 -6.000 289 1HG1 ILE 44 2HG1 ILE 44 23.209 10.213 -4.124 290 2HG1 ILE 44 1HG1 ILE 44 24.749 9.373 -3.963 291 1HG2 ILE 44 1HG2 ILE 44 21.273 7.449 -4.673 292 2HG2 ILE 44 2HG2 ILE 44 21.357 8.702 -5.905 293 3HG2 ILE 44 3HG2 ILE 44 21.451 9.137 -4.202 294 1HD1 ILE 44 1HD1 ILE 44 24.206 11.370 -5.737 295 2HD1 ILE 44 2HD1 ILE 44 24.010 9.924 -6.728 296 3HD1 ILE 44 3HD1 ILE 44 25.526 10.209 -5.875 297 H GLY 45 H GLY 45 21.575 5.858 -3.707 298 1HA GLY 45 2HA GLY 45 20.074 5.545 -2.008 299 2HA GLY 45 1HA GLY 45 21.492 5.443 -0.992 300 H ARG 46 H ARG 46 21.104 8.525 -2.474 301 HA ARG 46 HA ARG 46 19.839 9.508 0.005 302 1HB ARG 46 2HB ARG 46 21.883 11.024 -1.618 303 2HB ARG 46 1HB ARG 46 21.180 11.509 -0.084 304 1HG ARG 46 2HG ARG 46 23.081 9.232 -0.574 305 2HG ARG 46 1HG ARG 46 23.401 10.728 0.298 306 1HD ARG 46 2HD ARG 46 22.069 10.089 2.114 307 2HD ARG 46 1HD ARG 46 21.253 8.829 1.187 308 HE ARG 46 HE ARG 46 24.027 8.297 1.358 309 1HH1 ARG 46 1HH1 ARG 46 21.111 8.205 3.276 310 2HH1 ARG 46 2HH1 ARG 46 21.681 6.932 4.302 311 1HH2 ARG 46 1HH2 ARG 46 24.773 6.625 2.703 312 2HH2 ARG 46 2HH2 ARG 46 23.760 6.035 3.977 313 H ARG 47 H ARG 47 20.662 10.905 -3.173 314 HA ARG 47 HA ARG 47 17.915 11.963 -3.314 315 1HB ARG 47 2HB ARG 47 18.870 13.601 -4.938 316 2HB ARG 47 1HB ARG 47 19.554 13.722 -3.324 317 1HG ARG 47 2HG ARG 47 21.526 12.487 -4.055 318 2HG ARG 47 1HG ARG 47 20.837 12.342 -5.673 319 1HD ARG 47 2HD ARG 47 21.241 15.021 -4.386 320 2HD ARG 47 1HD ARG 47 22.557 14.206 -5.231 321 HE ARG 47 HE ARG 47 20.316 14.244 -6.908 322 1HH1 ARG 47 1HH1 ARG 47 22.618 16.464 -5.506 323 2HH1 ARG 47 2HH1 ARG 47 22.495 17.605 -6.802 324 1HH2 ARG 47 1HH2 ARG 47 20.155 15.745 -8.613 325 2HH2 ARG 47 2HH2 ARG 47 21.097 17.198 -8.566 326 HA PRO 48 HA PRO 48 17.090 9.378 -6.802 327 1HB PRO 48 2HB PRO 48 15.199 10.828 -8.086 328 2HB PRO 48 1HB PRO 48 14.879 9.987 -6.564 329 1HG PRO 48 2HG PRO 48 15.515 12.876 -7.035 330 2HG PRO 48 1HG PRO 48 14.293 12.159 -5.967 331 1HD PRO 48 2HD PRO 48 16.678 13.063 -5.054 332 2HD PRO 48 1HD PRO 48 15.827 11.687 -4.315 Start of MODEL 15 1 H VAL 1 H VAL 1 -27.265 10.316 7.115 2 HA VAL 1 HA VAL 1 -25.464 9.516 5.603 3 HB VAL 1 HB VAL 1 -24.633 10.070 8.477 4 1HG1 VAL 1 1HG1 VAL 1 -23.027 9.032 6.486 5 2HG1 VAL 1 2HG1 VAL 1 -22.821 10.784 6.249 6 3HG1 VAL 1 3HG1 VAL 1 -22.452 10.051 7.828 7 1HG2 VAL 1 1HG2 VAL 1 -26.048 11.747 7.066 8 2HG2 VAL 1 2HG2 VAL 1 -24.563 12.345 7.845 9 3HG2 VAL 1 3HG2 VAL 1 -24.563 11.956 6.108 10 H ASN 2 H ASN 2 -26.347 7.174 5.531 11 HA ASN 2 HA ASN 2 -24.199 5.421 6.294 12 1HB ASN 2 2HB ASN 2 -25.664 3.819 7.484 13 2HB ASN 2 1HB ASN 2 -25.557 5.357 8.335 14 1HD2 ASN 2 1HD2 ASN 2 -27.359 6.629 8.537 15 2HD2 ASN 2 2HD2 ASN 2 -28.942 6.107 8.081 16 H TYR 3 H TYR 3 -24.273 3.442 5.134 17 HA TYR 3 HA TYR 3 -26.456 2.889 3.310 18 1HB TYR 3 2HB TYR 3 -23.746 3.829 2.302 19 2HB TYR 3 1HB TYR 3 -24.898 2.972 1.293 20 HD1 TYR 3 1HD TYR 3 -27.441 4.206 1.834 21 HD2 TYR 3 2HD TYR 3 -23.597 6.013 1.608 22 HE1 TYR 3 1HE TYR 3 -28.481 6.343 1.218 23 HE2 TYR 3 2HE TYR 3 -24.634 8.153 0.994 24 HH TYR 3 HH TYR 3 -27.922 8.416 0.110 25 H GLY 4 H GLY 4 -25.420 1.139 1.618 26 1HA GLY 4 2HA GLY 4 -23.573 -0.669 2.969 27 2HA GLY 4 1HA GLY 4 -25.229 -1.239 2.820 28 H ASN 5 H ASN 5 -23.504 0.719 0.458 29 HA ASN 5 HA ASN 5 -22.821 -1.491 -1.218 30 1HB ASN 5 2HB ASN 5 -25.360 -1.141 -1.516 31 2HB ASN 5 1HB ASN 5 -24.915 0.325 -2.386 32 1HD2 ASN 5 1HD2 ASN 5 -25.647 -2.851 -2.734 33 2HD2 ASN 5 2HD2 ASN 5 -24.899 -3.157 -4.262 34 H GLY 6 H GLY 6 -23.822 1.890 -1.813 35 1HA GLY 6 2HA GLY 6 -21.857 3.505 -1.826 36 2HA GLY 6 1HA GLY 6 -21.139 2.370 -2.959 37 H VAL 7 H VAL 7 -23.947 4.496 -2.493 38 HA VAL 7 HA VAL 7 -24.453 4.496 -5.357 39 HB VAL 7 HB VAL 7 -26.365 4.447 -3.798 40 1HG1 VAL 7 1HG1 VAL 7 -24.963 6.258 -2.339 41 2HG1 VAL 7 2HG1 VAL 7 -26.682 5.912 -2.137 42 3HG1 VAL 7 3HG1 VAL 7 -26.166 7.288 -3.115 43 1HG2 VAL 7 1HG2 VAL 7 -26.280 5.651 -6.133 44 2HG2 VAL 7 2HG2 VAL 7 -26.550 7.093 -5.154 45 3HG2 VAL 7 3HG2 VAL 7 -27.710 5.765 -5.107 46 H SER 8 H SER 8 -22.075 5.431 -5.285 47 HA SER 8 HA SER 8 -20.721 7.162 -5.861 48 1HB SER 8 2HB SER 8 -21.604 8.862 -7.189 49 2HB SER 8 1HB SER 8 -22.809 7.588 -7.367 50 HG SER 8 HG SER 8 -23.617 9.765 -6.874 51 H CYS 9 H CYS 9 -19.541 8.407 -4.576 52 HA CYS 9 HA CYS 9 -20.821 10.300 -2.812 53 1HB CYS 9 2HB CYS 9 -19.085 9.373 -0.984 54 2HB CYS 9 1HB CYS 9 -20.750 8.822 -1.089 55 H SER 10 H SER 10 -17.523 9.059 -2.479 56 HA SER 10 HA SER 10 -15.568 10.284 -2.436 57 1HB SER 10 2HB SER 10 -15.688 9.332 -4.712 58 2HB SER 10 1HB SER 10 -16.494 10.797 -5.278 59 HG SER 10 HG SER 10 -13.888 10.333 -5.032 60 H LYS 11 H LYS 11 -16.738 11.795 -0.958 61 HA LYS 11 HA LYS 11 -16.145 14.475 -1.723 62 1HB LYS 11 2HB LYS 11 -18.342 15.444 -1.495 63 2HB LYS 11 1HB LYS 11 -18.378 14.196 -2.726 64 1HG LYS 11 2HG LYS 11 -19.216 12.702 -0.720 65 2HG LYS 11 1HG LYS 11 -19.697 14.274 -0.069 66 1HD LYS 11 2HD LYS 11 -20.973 14.758 -2.072 67 2HD LYS 11 1HD LYS 11 -20.432 13.253 -2.815 68 1HE LYS 11 2HE LYS 11 -22.366 12.429 -2.035 69 2HE LYS 11 1HE LYS 11 -21.520 12.343 -0.490 70 1HZ LYS 11 1HZ LYS 11 -22.856 14.850 -1.214 71 2HZ LYS 11 2HZ LYS 11 -22.621 14.159 0.312 72 3HZ LYS 11 3HZ LYS 11 -23.817 13.550 -0.716 73 H THR 12 H THR 12 -17.024 12.097 0.607 74 HA THR 12 HA THR 12 -15.890 13.732 2.726 75 HB THR 12 HB THR 12 -18.209 14.306 2.964 76 HG1 THR 12 1HG THR 12 -17.583 14.097 4.978 77 1HG2 THR 12 1HG2 THR 12 -18.942 11.449 3.403 78 2HG2 THR 12 2HG2 THR 12 -18.990 12.148 1.788 79 3HG2 THR 12 3HG2 THR 12 -19.986 12.830 3.074 80 H LYS 13 H LYS 13 -16.781 10.690 1.384 81 HA LYS 13 HA LYS 13 -14.934 9.313 3.095 82 1HB LYS 13 2HB LYS 13 -17.540 9.408 3.971 83 2HB LYS 13 1HB LYS 13 -17.494 7.889 3.092 84 1HG LYS 13 2HG LYS 13 -17.005 7.423 5.362 85 2HG LYS 13 1HG LYS 13 -15.501 7.254 4.451 86 1HD LYS 13 2HD LYS 13 -14.537 9.056 5.455 87 2HD LYS 13 1HD LYS 13 -16.068 9.921 5.612 88 1HE LYS 13 2HE LYS 13 -16.597 8.907 7.598 89 2HE LYS 13 1HE LYS 13 -15.684 7.448 7.218 90 1HZ LYS 13 1HZ LYS 13 -14.788 9.935 8.448 91 2HZ LYS 13 2HZ LYS 13 -13.696 9.171 7.405 92 3HZ LYS 13 3HZ LYS 13 -14.303 8.342 8.749 93 H CYS 14 H CYS 14 -15.692 6.690 2.509 94 HA CYS 14 HA CYS 14 -15.733 5.104 0.843 95 1HB CYS 14 2HB CYS 14 -16.167 7.318 -1.147 96 2HB CYS 14 1HB CYS 14 -16.575 5.611 -1.339 97 H SER 15 H SER 15 -14.032 4.174 -0.239 98 HA SER 15 HA SER 15 -12.222 5.633 -1.823 99 1HB SER 15 2HB SER 15 -10.205 5.299 -0.293 100 2HB SER 15 1HB SER 15 -11.315 6.607 0.114 101 HG SER 15 HG SER 15 -10.551 4.758 1.717 102 H VAL 16 H VAL 16 -10.120 4.346 -2.144 103 HA VAL 16 HA VAL 16 -10.892 1.729 -2.950 104 HB VAL 16 HB VAL 16 -9.450 3.094 -4.370 105 1HG1 VAL 16 1HG1 VAL 16 -8.237 3.904 -2.089 106 2HG1 VAL 16 2HG1 VAL 16 -7.580 4.136 -3.709 107 3HG1 VAL 16 3HG1 VAL 16 -7.041 2.776 -2.725 108 1HG2 VAL 16 1HG2 VAL 16 -8.852 1.077 -5.089 109 2HG2 VAL 16 2HG2 VAL 16 -8.658 0.457 -3.443 110 3HG2 VAL 16 3HG2 VAL 16 -7.350 1.353 -4.204 111 H ASN 17 H ASN 17 -11.382 0.792 -0.917 112 HA ASN 17 HA ASN 17 -9.702 0.586 1.270 113 1HB ASN 17 2HB ASN 17 -12.209 -0.259 0.742 114 2HB ASN 17 1HB ASN 17 -11.353 -1.799 0.689 115 1HD2 ASN 17 1HD2 ASN 17 -9.735 -2.017 2.588 116 2HD2 ASN 17 2HD2 ASN 17 -10.371 -1.617 4.144 117 H TRP 18 H TRP 18 -9.511 -1.120 -1.746 118 HA TRP 18 HA TRP 18 -7.702 -3.140 -0.612 119 1HB TRP 18 2HB TRP 18 -7.813 -4.238 -2.758 120 2HB TRP 18 1HB TRP 18 -9.444 -3.823 -2.247 121 HD1 TRP 18 HD TRP 18 -6.722 -2.535 -4.667 122 HE1 TRP 18 1HE TRP 18 -7.892 -1.388 -6.643 123 HE3 TRP 18 3HE TRP 18 -11.566 -2.901 -3.088 124 HZ2 TRP 18 2HZ TRP 18 -10.504 -0.735 -7.439 125 HZ3 TRP 18 3HZ TRP 18 -13.342 -1.990 -4.524 126 HH2 TRP 18 HH TRP 18 -12.817 -0.928 -6.657 127 H GLY 19 H GLY 19 -7.102 -0.145 -1.018 128 1HA GLY 19 2HA GLY 19 -5.027 -0.009 -2.982 129 2HA GLY 19 1HA GLY 19 -5.368 1.181 -1.736 130 H GLN 20 H GLN 20 -5.103 -0.673 0.480 131 HA GLN 20 HA GLN 20 -2.285 -0.460 0.852 132 1HB GLN 20 2HB GLN 20 -4.521 -1.625 2.488 133 2HB GLN 20 1HB GLN 20 -2.844 -1.827 2.975 134 1HG GLN 20 2HG GLN 20 -2.652 0.290 3.666 135 2HG GLN 20 1HG GLN 20 -3.583 0.925 2.311 136 1HE2 GLN 20 1HE2 GLN 20 -3.705 1.608 5.140 137 2HE2 GLN 20 2HE2 GLN 20 -5.334 1.321 5.636 138 H ALA 21 H ALA 21 -4.442 -3.056 -0.071 139 HA ALA 21 HA ALA 21 -2.761 -5.249 0.408 140 1HB ALA 21 1HB ALA 21 -4.132 -6.432 -1.244 141 2HB ALA 21 2HB ALA 21 -4.830 -4.897 -1.763 142 3HB ALA 21 3HB ALA 21 -5.130 -5.494 -0.132 143 H PHE 22 H PHE 22 -3.406 -3.870 -2.815 144 HA PHE 22 HA PHE 22 -1.230 -5.090 -4.047 145 1HB PHE 22 2HB PHE 22 -3.099 -3.928 -5.273 146 2HB PHE 22 1HB PHE 22 -2.343 -2.392 -4.848 147 HD1 PHE 22 1HD PHE 22 -0.986 -5.641 -6.081 148 HD2 PHE 22 2HD PHE 22 -1.385 -1.458 -6.667 149 HE1 PHE 22 1HE PHE 22 0.545 -5.764 -7.979 150 HE2 PHE 22 2HE PHE 22 0.130 -1.570 -8.572 151 HZ PHE 22 HZ PHE 22 1.104 -3.728 -9.252 152 H GLN 23 H GLN 23 -1.366 -2.028 -2.270 153 HA GLN 23 HA GLN 23 1.194 -1.147 -3.202 154 1HB GLN 23 2HB GLN 23 -0.405 0.510 -2.450 155 2HB GLN 23 1HB GLN 23 -0.483 -0.226 -0.855 156 1HG GLN 23 2HG GLN 23 1.997 0.299 -0.656 157 2HG GLN 23 1HG GLN 23 1.787 1.304 -2.089 158 1HE2 GLN 23 1HE2 GLN 23 2.011 1.448 1.122 159 2HE2 GLN 23 2HE2 GLN 23 1.045 2.843 1.448 160 H GLU 24 H GLU 24 0.042 -2.881 -0.366 161 HA GLU 24 HA GLU 24 2.514 -2.810 1.050 162 1HB GLU 24 2HB GLU 24 0.265 -3.251 2.079 163 2HB GLU 24 1HB GLU 24 0.275 -4.830 1.304 164 1HG GLU 24 2HG GLU 24 2.706 -4.419 2.776 165 2HG GLU 24 1HG GLU 24 1.302 -4.152 3.808 166 H ARG 25 H ARG 25 1.087 -4.828 -1.368 167 HA ARG 25 HA ARG 25 2.971 -6.983 -1.167 168 1HB ARG 25 2HB ARG 25 0.446 -6.664 -2.198 169 2HB ARG 25 1HB ARG 25 1.425 -6.654 -3.658 170 1HG ARG 25 2HG ARG 25 1.831 -8.787 -1.611 171 2HG ARG 25 1HG ARG 25 0.481 -8.884 -2.742 172 1HD ARG 25 2HD ARG 25 3.372 -8.560 -3.531 173 2HD ARG 25 1HD ARG 25 2.503 -10.093 -3.518 174 HE ARG 25 HE ARG 25 2.266 -7.966 -5.459 175 1HH1 ARG 25 1HH1 ARG 25 0.800 -10.836 -4.115 176 2HH1 ARG 25 2HH1 ARG 25 -0.162 -11.151 -5.521 177 1HH2 ARG 25 1HH2 ARG 25 1.001 -8.380 -7.303 178 2HH2 ARG 25 2HH2 ARG 25 -0.048 -9.758 -7.330 179 H TYR 26 H TYR 26 2.227 -4.593 -3.681 180 HA TYR 26 HA TYR 26 4.494 -5.158 -5.274 181 1HB TYR 26 2HB TYR 26 3.427 -3.890 -6.762 182 2HB TYR 26 1HB TYR 26 2.128 -3.906 -5.588 183 HD1 TYR 26 1HD TYR 26 5.055 -1.838 -6.633 184 HD2 TYR 26 2HD TYR 26 1.258 -1.919 -4.805 185 HE1 TYR 26 1HE TYR 26 4.973 0.613 -6.637 186 HE2 TYR 26 2HE TYR 26 1.123 0.489 -4.816 187 HH TYR 26 HH TYR 26 2.560 2.392 -6.519 188 H THR 27 H THR 27 3.801 -2.198 -3.348 189 HA THR 27 HA THR 27 6.262 -0.985 -3.752 190 HB THR 27 HB THR 27 4.870 -0.762 -1.110 191 HG1 THR 27 1HG THR 27 3.132 -0.635 -2.340 192 1HG2 THR 27 1HG2 THR 27 6.586 0.767 -1.159 193 2HG2 THR 27 2HG2 THR 27 5.212 1.721 -1.718 194 3HG2 THR 27 3HG2 THR 27 6.383 1.097 -2.880 195 H ALA 28 H ALA 28 5.342 -3.430 -1.409 196 HA ALA 28 HA ALA 28 7.593 -3.362 0.223 197 1HB ALA 28 1HB ALA 28 7.078 -5.863 0.530 198 2HB ALA 28 2HB ALA 28 5.706 -5.560 -0.537 199 3HB ALA 28 3HB ALA 28 5.844 -4.690 0.991 200 H GLY 29 H GLY 29 7.040 -5.261 -2.744 201 1HA GLY 29 2HA GLY 29 9.653 -6.428 -2.716 202 2HA GLY 29 1HA GLY 29 8.519 -6.451 -4.057 203 H ILE 30 H ILE 30 8.212 -3.918 -4.807 204 HA ILE 30 HA ILE 30 10.541 -3.352 -6.262 205 HB ILE 30 HB ILE 30 8.218 -2.660 -6.886 206 1HG1 ILE 30 2HG1 ILE 30 9.722 -0.122 -6.967 207 2HG1 ILE 30 1HG1 ILE 30 10.606 -1.530 -7.544 208 1HG2 ILE 30 1HG2 ILE 30 8.431 -0.136 -5.403 209 2HG2 ILE 30 2HG2 ILE 30 8.072 -1.561 -4.426 210 3HG2 ILE 30 3HG2 ILE 30 7.019 -1.126 -5.773 211 1HD1 ILE 30 1HD1 ILE 30 7.852 -0.953 -8.546 212 2HD1 ILE 30 2HD1 ILE 30 9.148 -1.881 -9.303 213 3HD1 ILE 30 3HD1 ILE 30 9.255 -0.122 -9.218 214 H ASN 31 H ASN 31 9.472 -2.206 -3.123 215 HA ASN 31 HA ASN 31 11.230 0.028 -2.999 216 1HB ASN 31 2HB ASN 31 9.256 -0.185 -1.514 217 2HB ASN 31 1HB ASN 31 10.027 -1.554 -0.710 218 1HD2 ASN 31 1HD2 ASN 31 9.481 1.684 -0.560 219 2HD2 ASN 31 2HD2 ASN 31 10.762 2.144 0.506 220 H SER 32 H SER 32 11.419 -3.286 -1.718 221 HA SER 32 HA SER 32 13.894 -3.113 -0.481 222 1HB SER 32 2HB SER 32 12.816 -5.524 -1.962 223 2HB SER 32 1HB SER 32 14.004 -5.538 -0.657 224 HG SER 32 HG SER 32 12.373 -5.634 0.649 225 H PHE 33 H PHE 33 13.130 -3.671 -3.870 226 HA PHE 33 HA PHE 33 15.684 -4.367 -4.779 227 1HB PHE 33 2HB PHE 33 14.373 -4.636 -6.596 228 2HB PHE 33 1HB PHE 33 13.138 -3.582 -5.932 229 HD1 PHE 33 1HD PHE 33 12.577 -1.735 -7.175 230 HD2 PHE 33 2HD PHE 33 16.517 -3.282 -7.494 231 HE1 PHE 33 1HE PHE 33 13.101 -0.040 -8.862 232 HE2 PHE 33 2HE PHE 33 17.044 -1.590 -9.192 233 HZ PHE 33 HZ PHE 33 15.332 0.031 -9.884 234 H VAL 34 H VAL 34 14.177 -1.259 -4.180 235 HA VAL 34 HA VAL 34 16.181 0.374 -5.347 236 HB VAL 34 HB VAL 34 14.415 1.219 -3.064 237 1HG1 VAL 34 1HG1 VAL 34 14.482 3.374 -4.157 238 2HG1 VAL 34 2HG1 VAL 34 15.427 2.698 -5.486 239 3HG1 VAL 34 3HG1 VAL 34 16.118 2.785 -3.866 240 1HG2 VAL 34 1HG2 VAL 34 12.911 1.900 -5.164 241 2HG2 VAL 34 2HG2 VAL 34 12.723 0.364 -4.313 242 3HG2 VAL 34 3HG2 VAL 34 13.637 0.433 -5.809 243 H SER 35 H SER 35 15.459 -0.200 -1.926 244 HA SER 35 HA SER 35 17.551 1.091 -0.752 245 1HB SER 35 2HB SER 35 16.358 -1.568 0.007 246 2HB SER 35 1HB SER 35 17.436 -0.639 1.047 247 HG SER 35 HG SER 35 14.940 -0.404 1.111 248 H GLY 36 H GLY 36 17.610 -2.333 -1.733 249 1HA GLY 36 2HA GLY 36 20.345 -2.744 -1.149 250 2HA GLY 36 1HA GLY 36 19.363 -3.744 -2.208 251 H VAL 37 H VAL 37 18.710 -2.028 -4.228 252 HA VAL 37 HA VAL 37 21.075 -2.043 -5.785 253 HB VAL 37 HB VAL 37 18.657 -2.211 -6.619 254 1HG1 VAL 37 1HG1 VAL 37 18.441 0.317 -5.504 255 2HG1 VAL 37 2HG1 VAL 37 17.280 -0.481 -6.553 256 3HG1 VAL 37 3HG1 VAL 37 18.484 0.603 -7.241 257 1HG2 VAL 37 1HG2 VAL 37 20.513 -2.117 -8.146 258 2HG2 VAL 37 2HG2 VAL 37 20.563 -0.357 -8.021 259 3HG2 VAL 37 3HG2 VAL 37 19.175 -1.149 -8.764 260 H ALA 38 H ALA 38 19.616 0.312 -3.693 261 HA ALA 38 HA ALA 38 21.012 2.586 -4.797 262 1HB ALA 38 1HB ALA 38 18.963 3.076 -3.767 263 2HB ALA 38 2HB ALA 38 20.194 3.676 -2.655 264 3HB ALA 38 3HB ALA 38 19.371 2.153 -2.321 265 H SER 39 H SER 39 21.688 0.124 -2.452 266 HA SER 39 HA SER 39 23.528 1.407 -0.808 267 1HB SER 39 2HB SER 39 22.537 -1.034 -0.761 268 2HB SER 39 1HB SER 39 24.017 -1.425 -1.636 269 HG SER 39 HG SER 39 25.213 -0.783 0.080 270 H GLY 40 H GLY 40 23.868 0.272 -4.082 271 1HA GLY 40 2HA GLY 40 25.587 1.366 -5.429 272 2HA GLY 40 1HA GLY 40 26.670 1.225 -4.052 273 H ALA 41 H ALA 41 24.497 -1.236 -5.362 274 HA ALA 41 HA ALA 41 26.409 -3.284 -5.265 275 1HB ALA 41 1HB ALA 41 23.704 -2.962 -6.421 276 2HB ALA 41 2HB ALA 41 24.326 -4.185 -5.314 277 3HB ALA 41 3HB ALA 41 24.686 -4.290 -7.038 278 H GLY 42 H GLY 42 25.361 -1.194 -7.919 279 1HA GLY 42 2HA GLY 42 27.094 -0.501 -9.513 280 2HA GLY 42 1HA GLY 42 27.690 -2.152 -9.480 281 H SER 43 H SER 43 25.202 -0.012 -10.665 282 HA SER 43 HA SER 43 24.826 -1.525 -13.022 283 1HB SER 43 2HB SER 43 22.420 -2.116 -12.658 284 2HB SER 43 1HB SER 43 23.538 -3.034 -11.651 285 HG SER 43 HG SER 43 21.649 -2.142 -10.557 286 H ILE 44 H ILE 44 23.103 0.680 -10.821 287 HA ILE 44 HA ILE 44 23.105 2.731 -12.874 288 HB ILE 44 HB ILE 44 20.540 3.083 -12.165 289 1HG1 ILE 44 2HG1 ILE 44 20.517 0.124 -12.570 290 2HG1 ILE 44 1HG1 ILE 44 20.829 0.739 -10.950 291 1HG2 ILE 44 1HG2 ILE 44 19.972 1.865 -14.320 292 2HG2 ILE 44 2HG2 ILE 44 21.685 1.455 -14.411 293 3HG2 ILE 44 3HG2 ILE 44 21.180 3.145 -14.421 294 1HD1 ILE 44 1HD1 ILE 44 18.705 2.100 -11.228 295 2HD1 ILE 44 2HD1 ILE 44 18.524 0.355 -11.044 296 3HD1 ILE 44 3HD1 ILE 44 18.380 1.093 -12.639 297 H GLY 45 H GLY 45 21.037 2.389 -9.999 298 1HA GLY 45 2HA GLY 45 20.914 3.634 -8.073 299 2HA GLY 45 1HA GLY 45 22.663 3.767 -8.190 300 H ARG 46 H ARG 46 20.589 4.964 -10.718 301 HA ARG 46 HA ARG 46 21.051 7.715 -9.782 302 1HB ARG 46 2HB ARG 46 21.645 6.503 -12.450 303 2HB ARG 46 1HB ARG 46 21.132 8.183 -12.380 304 1HG ARG 46 2HG ARG 46 22.989 8.582 -10.739 305 2HG ARG 46 1HG ARG 46 23.559 6.951 -11.101 306 1HD ARG 46 2HD ARG 46 23.658 7.613 -13.511 307 2HD ARG 46 1HD ARG 46 23.294 9.265 -13.014 308 HE ARG 46 HE ARG 46 25.543 8.188 -11.623 309 1HH1 ARG 46 1HH1 ARG 46 24.543 9.657 -14.626 310 2HH1 ARG 46 2HH1 ARG 46 26.113 10.293 -14.982 311 1HH2 ARG 46 1HH2 ARG 46 27.609 9.023 -12.090 312 2HH2 ARG 46 2HH2 ARG 46 27.855 9.933 -13.544 313 H ARG 47 H ARG 47 18.724 6.028 -9.488 314 HA ARG 47 HA ARG 47 16.788 7.258 -11.322 315 1HB ARG 47 2HB ARG 47 16.810 4.784 -9.655 316 2HB ARG 47 1HB ARG 47 15.262 5.550 -9.976 317 1HG ARG 47 2HG ARG 47 17.135 4.946 -12.223 318 2HG ARG 47 1HG ARG 47 16.107 3.683 -11.545 319 1HD ARG 47 2HD ARG 47 14.569 4.412 -12.999 320 2HD ARG 47 1HD ARG 47 14.344 5.747 -11.869 321 HE ARG 47 HE ARG 47 15.201 7.132 -13.455 322 1HH1 ARG 47 1HH1 ARG 47 16.357 3.904 -14.105 323 2HH1 ARG 47 2HH1 ARG 47 17.174 4.355 -15.562 324 1HH2 ARG 47 1HH2 ARG 47 16.277 7.728 -15.371 325 2HH2 ARG 47 2HH2 ARG 47 17.130 6.526 -16.282 326 HA PRO 48 HA PRO 48 15.486 9.959 -8.055 327 1HB PRO 48 2HB PRO 48 13.141 10.817 -9.058 328 2HB PRO 48 1HB PRO 48 14.689 11.293 -9.771 329 1HG PRO 48 2HG PRO 48 12.777 9.157 -10.648 330 2HG PRO 48 1HG PRO 48 13.631 10.362 -11.630 331 1HD PRO 48 2HD PRO 48 14.477 7.788 -11.381 332 2HD PRO 48 1HD PRO 48 15.586 9.155 -11.645 Start of MODEL 16 1 H VAL 1 H VAL 1 -12.163 -7.808 -23.232 2 HA VAL 1 HA VAL 1 -13.836 -7.509 -21.421 3 HB VAL 1 HB VAL 1 -11.612 -5.491 -21.764 4 1HG1 VAL 1 1HG1 VAL 1 -12.724 -5.684 -19.058 5 2HG1 VAL 1 2HG1 VAL 1 -12.300 -4.241 -20.008 6 3HG1 VAL 1 3HG1 VAL 1 -13.894 -5.006 -20.215 7 1HG2 VAL 1 1HG2 VAL 1 -12.022 -7.623 -19.642 8 2HG2 VAL 1 2HG2 VAL 1 -11.311 -8.005 -21.229 9 3HG2 VAL 1 3HG2 VAL 1 -10.505 -6.842 -20.149 10 H ASN 2 H ASN 2 -15.003 -5.645 -20.240 11 HA ASN 2 HA ASN 2 -15.918 -3.451 -21.786 12 1HB ASN 2 2HB ASN 2 -17.450 -5.928 -21.897 13 2HB ASN 2 1HB ASN 2 -18.399 -4.574 -21.314 14 1HD2 ASN 2 1HD2 ASN 2 -18.917 -5.863 -23.704 15 2HD2 ASN 2 2HD2 ASN 2 -18.600 -4.757 -24.995 16 H TYR 3 H TYR 3 -18.419 -3.070 -20.403 17 HA TYR 3 HA TYR 3 -19.238 -2.155 -18.493 18 1HB TYR 3 2HB TYR 3 -17.330 -3.793 -16.843 19 2HB TYR 3 1HB TYR 3 -19.005 -3.369 -16.504 20 HD1 TYR 3 1HD TYR 3 -16.997 -6.038 -17.170 21 HD2 TYR 3 2HD TYR 3 -20.609 -4.300 -18.573 22 HE1 TYR 3 1HE TYR 3 -17.685 -8.215 -18.076 23 HE2 TYR 3 2HE TYR 3 -21.311 -6.469 -19.479 24 HH TYR 3 HH TYR 3 -19.633 -8.757 -20.264 25 H GLY 4 H GLY 4 -18.634 -0.746 -16.578 26 1HA GLY 4 2HA GLY 4 -16.181 0.109 -15.802 27 2HA GLY 4 1HA GLY 4 -16.386 0.929 -17.341 28 H ASN 5 H ASN 5 -17.238 0.813 -14.016 29 HA ASN 5 HA ASN 5 -18.111 2.377 -12.629 30 1HB ASN 5 2HB ASN 5 -18.086 4.071 -15.135 31 2HB ASN 5 1HB ASN 5 -18.674 4.670 -13.587 32 1HD2 ASN 5 1HD2 ASN 5 -16.929 6.231 -14.045 33 2HD2 ASN 5 2HD2 ASN 5 -15.338 5.853 -13.484 34 H GLY 6 H GLY 6 -19.754 0.509 -12.991 35 1HA GLY 6 2HA GLY 6 -22.285 1.345 -12.543 36 2HA GLY 6 1HA GLY 6 -22.203 1.309 -14.300 37 H VAL 7 H VAL 7 -20.783 -0.819 -11.867 38 HA VAL 7 HA VAL 7 -22.571 -2.989 -12.589 39 HB VAL 7 HB VAL 7 -20.607 -4.541 -12.949 40 1HG1 VAL 7 1HG1 VAL 7 -20.938 -2.388 -15.029 41 2HG1 VAL 7 2HG1 VAL 7 -22.079 -3.703 -14.758 42 3HG1 VAL 7 3HG1 VAL 7 -20.437 -4.057 -15.294 43 1HG2 VAL 7 1HG2 VAL 7 -18.496 -3.581 -13.666 44 2HG2 VAL 7 2HG2 VAL 7 -18.883 -3.042 -12.032 45 3HG2 VAL 7 3HG2 VAL 7 -19.119 -1.952 -13.397 46 H SER 8 H SER 8 -21.551 -5.082 -11.342 47 HA SER 8 HA SER 8 -21.566 -4.296 -8.575 48 1HB SER 8 2HB SER 8 -22.850 -6.256 -9.342 49 2HB SER 8 1HB SER 8 -21.354 -7.033 -9.860 50 HG SER 8 HG SER 8 -21.946 -6.246 -7.195 51 H CYS 9 H CYS 9 -19.887 -6.650 -7.837 52 HA CYS 9 HA CYS 9 -17.497 -5.397 -7.301 53 1HB CYS 9 2HB CYS 9 -17.885 -8.368 -7.738 54 2HB CYS 9 1HB CYS 9 -16.556 -7.614 -6.858 55 H SER 10 H SER 10 -15.839 -4.787 -8.454 56 HA SER 10 HA SER 10 -15.453 -5.960 -11.128 57 1HB SER 10 2HB SER 10 -14.739 -3.152 -10.291 58 2HB SER 10 1HB SER 10 -14.752 -3.814 -11.927 59 HG SER 10 HG SER 10 -17.048 -4.100 -11.637 60 H LYS 11 H LYS 11 -13.868 -4.527 -8.316 61 HA LYS 11 HA LYS 11 -11.623 -6.281 -8.600 62 1HB LYS 11 2HB LYS 11 -11.241 -3.324 -9.068 63 2HB LYS 11 1HB LYS 11 -9.936 -4.416 -8.635 64 1HG LYS 11 2HG LYS 11 -10.425 -5.737 -10.671 65 2HG LYS 11 1HG LYS 11 -11.610 -4.515 -11.122 66 1HD LYS 11 2HD LYS 11 -9.458 -2.959 -10.615 67 2HD LYS 11 1HD LYS 11 -8.679 -4.418 -11.233 68 1HE LYS 11 2HE LYS 11 -10.382 -4.298 -13.135 69 2HE LYS 11 1HE LYS 11 -10.702 -2.656 -12.581 70 1HZ LYS 11 1HZ LYS 11 -7.969 -3.576 -13.234 71 2HZ LYS 11 2HZ LYS 11 -8.539 -1.988 -13.110 72 3HZ LYS 11 3HZ LYS 11 -9.004 -2.954 -14.418 73 H THR 12 H THR 12 -11.790 -3.014 -7.206 74 HA THR 12 HA THR 12 -11.143 -4.139 -4.609 75 HB THR 12 HB THR 12 -10.577 -1.944 -3.922 76 HG1 THR 12 1HG THR 12 -12.241 -0.722 -4.681 77 1HG2 THR 12 1HG2 THR 12 -9.515 -2.962 -6.371 78 2HG2 THR 12 2HG2 THR 12 -8.716 -2.044 -5.096 79 3HG2 THR 12 3HG2 THR 12 -9.535 -1.201 -6.411 80 H LYS 13 H LYS 13 -13.842 -2.504 -6.163 81 HA LYS 13 HA LYS 13 -15.192 -2.054 -3.669 82 1HB LYS 13 2HB LYS 13 -15.393 -0.857 -6.043 83 2HB LYS 13 1HB LYS 13 -16.706 -2.016 -6.226 84 1HG LYS 13 2HG LYS 13 -16.432 0.005 -4.005 85 2HG LYS 13 1HG LYS 13 -17.532 0.102 -5.380 86 1HD LYS 13 2HD LYS 13 -18.408 -2.181 -4.547 87 2HD LYS 13 1HD LYS 13 -17.597 -1.768 -3.038 88 1HE LYS 13 2HE LYS 13 -18.911 0.298 -2.903 89 2HE LYS 13 1HE LYS 13 -19.718 -0.121 -4.414 90 1HZ LYS 13 1HZ LYS 13 -19.793 -1.873 -2.028 91 2HZ LYS 13 2HZ LYS 13 -20.764 -1.955 -3.408 92 3HZ LYS 13 3HZ LYS 13 -20.955 -0.677 -2.317 93 H CYS 14 H CYS 14 -15.282 -4.129 -2.752 94 HA CYS 14 HA CYS 14 -17.695 -5.528 -3.384 95 1HB CYS 14 2HB CYS 14 -15.837 -6.463 -4.942 96 2HB CYS 14 1HB CYS 14 -15.212 -7.203 -3.473 97 H SER 15 H SER 15 -14.661 -6.600 -1.858 98 HA SER 15 HA SER 15 -15.710 -6.130 0.807 99 1HB SER 15 2HB SER 15 -14.792 -8.926 0.387 100 2HB SER 15 1HB SER 15 -16.020 -8.298 1.485 101 HG SER 15 HG SER 15 -17.423 -8.897 0.058 102 H VAL 16 H VAL 16 -14.039 -5.385 1.984 103 HA VAL 16 HA VAL 16 -11.958 -5.226 2.908 104 HB VAL 16 HB VAL 16 -11.049 -7.484 1.116 105 1HG1 VAL 16 1HG1 VAL 16 -9.167 -6.458 2.049 106 2HG1 VAL 16 2HG1 VAL 16 -9.491 -7.833 3.103 107 3HG1 VAL 16 3HG1 VAL 16 -9.960 -6.208 3.603 108 1HG2 VAL 16 1HG2 VAL 16 -11.457 -8.706 3.453 109 2HG2 VAL 16 2HG2 VAL 16 -12.698 -8.608 2.202 110 3HG2 VAL 16 3HG2 VAL 16 -12.724 -7.483 3.557 111 H ASN 17 H ASN 17 -10.454 -3.710 2.449 112 HA ASN 17 HA ASN 17 -10.417 -2.567 -0.156 113 1HB ASN 17 2HB ASN 17 -9.989 -1.445 2.153 114 2HB ASN 17 1HB ASN 17 -8.323 -1.965 1.905 115 1HD2 ASN 17 1HD2 ASN 17 -10.962 -0.237 0.300 116 2HD2 ASN 17 2HD2 ASN 17 -9.950 0.902 -0.516 117 H TRP 18 H TRP 18 -9.173 -3.031 -1.835 118 HA TRP 18 HA TRP 18 -7.013 -4.999 -1.536 119 1HB TRP 18 2HB TRP 18 -8.979 -4.727 -3.427 120 2HB TRP 18 1HB TRP 18 -7.615 -3.957 -4.236 121 HD1 TRP 18 HD TRP 18 -5.918 -5.535 -5.364 122 HE1 TRP 18 1HE TRP 18 -5.463 -8.068 -5.318 123 HE3 TRP 18 3HE TRP 18 -9.238 -6.892 -1.728 124 HZ2 TRP 18 2HZ TRP 18 -6.391 -10.340 -3.925 125 HZ3 TRP 18 3HZ TRP 18 -9.393 -9.263 -1.097 126 HH2 TRP 18 HH TRP 18 -7.999 -10.951 -2.174 127 H GLY 19 H GLY 19 -7.547 -1.668 -2.636 128 1HA GLY 19 2HA GLY 19 -5.180 -0.974 -3.779 129 2HA GLY 19 1HA GLY 19 -6.073 0.104 -2.720 130 H GLN 20 H GLN 20 -5.761 -1.017 -0.264 131 HA GLN 20 HA GLN 20 -3.145 -0.208 0.429 132 1HB GLN 20 2HB GLN 20 -5.434 -0.435 1.814 133 2HB GLN 20 1HB GLN 20 -4.651 -1.923 2.325 134 1HG GLN 20 2HG GLN 20 -2.642 -0.095 2.601 135 2HG GLN 20 1HG GLN 20 -4.071 0.845 3.032 136 1HE2 GLN 20 1HE2 GLN 20 -3.694 0.994 5.189 137 2HE2 GLN 20 2HE2 GLN 20 -3.691 -0.360 6.263 138 H ALA 21 H ALA 21 -4.596 -3.348 -0.143 139 HA ALA 21 HA ALA 21 -2.491 -4.936 0.882 140 1HB ALA 21 1HB ALA 21 -4.761 -5.407 -0.998 141 2HB ALA 21 2HB ALA 21 -4.476 -6.085 0.605 142 3HB ALA 21 3HB ALA 21 -3.526 -6.646 -0.772 143 H PHE 22 H PHE 22 -3.356 -4.471 -2.550 144 HA PHE 22 HA PHE 22 -1.004 -5.497 -3.614 145 1HB PHE 22 2HB PHE 22 -3.072 -4.867 -4.931 146 2HB PHE 22 1HB PHE 22 -2.516 -3.194 -4.855 147 HD1 PHE 22 1HD PHE 22 -1.542 -2.453 -6.722 148 HD2 PHE 22 2HD PHE 22 -0.946 -6.501 -5.592 149 HE1 PHE 22 1HE PHE 22 -0.032 -2.744 -8.618 150 HE2 PHE 22 2HE PHE 22 0.566 -6.814 -7.489 151 HZ PHE 22 HZ PHE 22 1.025 -4.939 -9.028 152 H GLN 23 H GLN 23 -1.425 -2.459 -2.012 153 HA GLN 23 HA GLN 23 0.786 -1.289 -3.433 154 1HB GLN 23 2HB GLN 23 -1.002 0.183 -2.716 155 2HB GLN 23 1HB GLN 23 -0.736 -0.265 -1.034 156 1HG GLN 23 2HG GLN 23 1.404 0.783 -1.018 157 2HG GLN 23 1HG GLN 23 1.345 1.049 -2.758 158 1HE2 GLN 23 1HE2 GLN 23 1.097 3.098 -3.185 159 2HE2 GLN 23 2HE2 GLN 23 0.066 4.203 -2.348 160 H GLU 24 H GLU 24 0.193 -2.529 -0.182 161 HA GLU 24 HA GLU 24 2.817 -2.005 0.778 162 1HB GLU 24 2HB GLU 24 0.529 -2.618 2.010 163 2HB GLU 24 1HB GLU 24 1.196 -4.241 1.904 164 1HG GLU 24 2HG GLU 24 2.869 -2.028 2.984 165 2HG GLU 24 1HG GLU 24 1.633 -2.767 3.999 166 H ARG 25 H ARG 25 1.239 -4.613 -0.878 167 HA ARG 25 HA ARG 25 3.244 -6.579 -0.586 168 1HB ARG 25 2HB ARG 25 0.678 -6.476 -1.565 169 2HB ARG 25 1HB ARG 25 1.622 -6.676 -3.032 170 1HG ARG 25 2HG ARG 25 2.760 -8.616 -1.830 171 2HG ARG 25 1HG ARG 25 1.444 -8.496 -0.661 172 1HD ARG 25 2HD ARG 25 -0.166 -9.104 -2.220 173 2HD ARG 25 1HD ARG 25 0.856 -8.671 -3.590 174 HE ARG 25 HE ARG 25 0.753 -11.192 -2.249 175 1HH1 ARG 25 1HH1 ARG 25 2.841 -9.039 -4.036 176 2HH1 ARG 25 2HH1 ARG 25 3.884 -10.307 -4.586 177 1HH2 ARG 25 1HH2 ARG 25 2.123 -12.860 -2.975 178 2HH2 ARG 25 2HH2 ARG 25 3.476 -12.476 -3.984 179 H TYR 26 H TYR 26 2.403 -4.478 -3.355 180 HA TYR 26 HA TYR 26 4.647 -5.286 -4.867 181 1HB TYR 26 2HB TYR 26 3.817 -3.997 -6.530 182 2HB TYR 26 1HB TYR 26 2.383 -4.203 -5.555 183 HD1 TYR 26 1HD TYR 26 1.147 -2.407 -5.008 184 HD2 TYR 26 2HD TYR 26 5.171 -1.786 -6.139 185 HE1 TYR 26 1HE TYR 26 0.707 -0.014 -5.059 186 HE2 TYR 26 2HE TYR 26 4.772 0.625 -6.171 187 HH TYR 26 HH TYR 26 1.625 2.039 -5.398 188 H THR 27 H THR 27 4.161 -2.543 -2.672 189 HA THR 27 HA THR 27 6.506 -1.136 -3.366 190 HB THR 27 HB THR 27 6.435 -0.490 -0.808 191 HG1 THR 27 1HG THR 27 4.980 -1.643 0.163 192 1HG2 THR 27 1HG2 THR 27 5.827 1.307 -1.976 193 2HG2 THR 27 2HG2 THR 27 4.207 0.854 -1.443 194 3HG2 THR 27 3HG2 THR 27 4.771 0.392 -3.046 195 H ALA 28 H ALA 28 5.930 -3.697 -0.984 196 HA ALA 28 HA ALA 28 8.459 -3.842 0.131 197 1HB ALA 28 1HB ALA 28 7.834 -6.421 0.205 198 2HB ALA 28 2HB ALA 28 6.256 -5.798 -0.275 199 3HB ALA 28 3HB ALA 28 7.009 -5.237 1.218 200 H GLY 29 H GLY 29 7.232 -5.261 -2.862 201 1HA GLY 29 2HA GLY 29 9.679 -6.633 -3.483 202 2HA GLY 29 1HA GLY 29 8.316 -6.382 -4.566 203 H ILE 30 H ILE 30 8.110 -3.725 -4.844 204 HA ILE 30 HA ILE 30 10.292 -3.116 -6.564 205 HB ILE 30 HB ILE 30 7.965 -2.368 -6.982 206 1HG1 ILE 30 2HG1 ILE 30 9.269 0.230 -6.958 207 2HG1 ILE 30 1HG1 ILE 30 10.361 -1.040 -7.500 208 1HG2 ILE 30 1HG2 ILE 30 6.922 -0.652 -5.808 209 2HG2 ILE 30 2HG2 ILE 30 8.417 -0.176 -5.000 210 3HG2 ILE 30 3HG2 ILE 30 7.618 -1.685 -4.562 211 1HD1 ILE 30 1HD1 ILE 30 8.755 -1.691 -9.212 212 2HD1 ILE 30 2HD1 ILE 30 9.213 0.005 -9.366 213 3HD1 ILE 30 3HD1 ILE 30 7.654 -0.429 -8.663 214 H ASN 31 H ASN 31 9.191 -1.628 -3.486 215 HA ASN 31 HA ASN 31 11.165 0.319 -3.294 216 1HB ASN 31 2HB ASN 31 9.070 -0.303 -1.759 217 2HB ASN 31 1HB ASN 31 10.327 -1.061 -0.787 218 1HD2 ASN 31 1HD2 ASN 31 8.646 1.726 -1.292 219 2HD2 ASN 31 2HD2 ASN 31 9.730 2.847 -0.550 220 H SER 32 H SER 32 11.183 -2.998 -1.976 221 HA SER 32 HA SER 32 13.664 -2.989 -0.781 222 1HB SER 32 2HB SER 32 12.229 -5.201 -2.258 223 2HB SER 32 1HB SER 32 13.733 -5.464 -1.376 224 HG SER 32 HG SER 32 11.177 -4.852 -0.404 225 H PHE 33 H PHE 33 12.882 -3.570 -4.187 226 HA PHE 33 HA PHE 33 15.398 -4.254 -5.132 227 1HB PHE 33 2HB PHE 33 14.074 -4.409 -6.944 228 2HB PHE 33 1HB PHE 33 12.893 -3.299 -6.264 229 HD1 PHE 33 1HD PHE 33 16.192 -3.332 -7.988 230 HD2 PHE 33 2HD PHE 33 12.572 -1.219 -7.247 231 HE1 PHE 33 1HE PHE 33 16.851 -1.628 -9.630 232 HE2 PHE 33 2HE PHE 33 13.226 0.479 -8.889 233 HZ PHE 33 HZ PHE 33 15.365 0.280 -10.086 234 H VAL 34 H VAL 34 14.098 -1.083 -4.334 235 HA VAL 34 HA VAL 34 16.224 0.433 -5.497 236 HB VAL 34 HB VAL 34 14.502 1.411 -3.249 237 1HG1 VAL 34 1HG1 VAL 34 16.340 2.814 -4.107 238 2HG1 VAL 34 2HG1 VAL 34 14.750 3.539 -4.341 239 3HG1 VAL 34 3HG1 VAL 34 15.583 2.785 -5.699 240 1HG2 VAL 34 1HG2 VAL 34 12.860 0.457 -4.610 241 2HG2 VAL 34 2HG2 VAL 34 13.710 0.881 -6.094 242 3HG2 VAL 34 3HG2 VAL 34 12.925 2.138 -5.141 243 H SER 35 H SER 35 15.379 -0.086 -2.094 244 HA SER 35 HA SER 35 17.674 0.965 -0.973 245 1HB SER 35 2HB SER 35 16.129 -1.433 0.022 246 2HB SER 35 1HB SER 35 17.202 -0.421 0.986 247 HG SER 35 HG SER 35 15.447 0.682 1.354 248 H GLY 36 H GLY 36 17.127 -2.275 -2.264 249 1HA GLY 36 2HA GLY 36 19.516 -3.475 -1.410 250 2HA GLY 36 1HA GLY 36 18.584 -3.960 -2.821 251 H VAL 37 H VAL 37 18.765 -1.643 -4.349 252 HA VAL 37 HA VAL 37 21.459 -1.912 -5.361 253 HB VAL 37 HB VAL 37 20.744 -0.449 -7.182 254 1HG1 VAL 37 1HG1 VAL 37 20.210 -2.598 -7.751 255 2HG1 VAL 37 2HG1 VAL 37 18.614 -1.850 -7.828 256 3HG1 VAL 37 3HG1 VAL 37 19.081 -2.792 -6.409 257 1HG2 VAL 37 1HG2 VAL 37 18.677 0.641 -7.299 258 2HG2 VAL 37 2HG2 VAL 37 19.227 0.942 -5.652 259 3HG2 VAL 37 3HG2 VAL 37 18.005 -0.291 -5.962 260 H ALA 38 H ALA 38 19.590 0.370 -3.516 261 HA ALA 38 HA ALA 38 21.335 2.595 -3.835 262 1HB ALA 38 1HB ALA 38 20.080 3.508 -1.899 263 2HB ALA 38 2HB ALA 38 19.271 1.949 -1.733 264 3HB ALA 38 3HB ALA 38 19.035 2.914 -3.190 265 H SER 39 H SER 39 21.234 -0.175 -1.724 266 HA SER 39 HA SER 39 23.180 0.864 0.137 267 1HB SER 39 2HB SER 39 22.876 -1.120 1.343 268 2HB SER 39 1HB SER 39 21.298 -0.858 0.599 269 HG SER 39 HG SER 39 21.577 -2.569 -0.617 270 H GLY 40 H GLY 40 23.150 -1.567 -2.464 271 1HA GLY 40 2HA GLY 40 26.112 -1.430 -2.488 272 2HA GLY 40 1HA GLY 40 25.245 -2.944 -2.692 273 H ALA 41 H ALA 41 24.617 0.252 -4.111 274 HA ALA 41 HA ALA 41 23.898 -0.601 -6.625 275 1HB ALA 41 1HB ALA 41 23.790 1.583 -7.145 276 2HB ALA 41 2HB ALA 41 25.438 1.900 -6.605 277 3HB ALA 41 3HB ALA 41 24.126 1.818 -5.430 278 H GLY 42 H GLY 42 27.109 -0.302 -5.290 279 1HA GLY 42 2HA GLY 42 28.614 -0.195 -7.649 280 2HA GLY 42 1HA GLY 42 29.174 -0.855 -6.121 281 H SER 43 H SER 43 28.242 -3.099 -5.633 282 HA SER 43 HA SER 43 28.235 -5.311 -6.144 283 1HB SER 43 2HB SER 43 26.174 -4.379 -7.462 284 2HB SER 43 1HB SER 43 27.166 -4.711 -8.881 285 HG SER 43 HG SER 43 25.709 -6.415 -7.509 286 H ILE 44 H ILE 44 30.611 -4.892 -6.187 287 HA ILE 44 HA ILE 44 32.705 -5.085 -7.071 288 HB ILE 44 HB ILE 44 32.988 -7.103 -8.540 289 1HG1 ILE 44 2HG1 ILE 44 30.011 -7.419 -8.085 290 2HG1 ILE 44 1HG1 ILE 44 30.745 -6.966 -9.621 291 1HG2 ILE 44 1HG2 ILE 44 31.362 -7.550 -6.044 292 2HG2 ILE 44 2HG2 ILE 44 33.080 -7.153 -6.070 293 3HG2 ILE 44 3HG2 ILE 44 32.513 -8.667 -6.776 294 1HD1 ILE 44 1HD1 ILE 44 30.224 -9.288 -9.682 295 2HD1 ILE 44 2HD1 ILE 44 31.052 -9.569 -8.151 296 3HD1 ILE 44 3HD1 ILE 44 31.977 -9.125 -9.586 297 H GLY 45 H GLY 45 31.313 -3.029 -8.414 298 1HA GLY 45 2HA GLY 45 31.448 -3.227 -11.218 299 2HA GLY 45 1HA GLY 45 31.465 -1.735 -10.298 300 H ARG 46 H ARG 46 33.783 -1.685 -8.992 301 HA ARG 46 HA ARG 46 35.659 -1.056 -10.982 302 1HB ARG 46 2HB ARG 46 35.898 -1.374 -8.006 303 2HB ARG 46 1HB ARG 46 37.276 -0.931 -9.004 304 1HG ARG 46 2HG ARG 46 34.694 0.613 -8.887 305 2HG ARG 46 1HG ARG 46 36.136 0.995 -7.946 306 1HD ARG 46 2HD ARG 46 37.243 0.900 -10.369 307 2HD ARG 46 1HD ARG 46 35.603 1.340 -10.842 308 HE ARG 46 HE ARG 46 36.337 3.040 -8.775 309 1HH1 ARG 46 1HH1 ARG 46 37.363 2.343 -12.037 310 2HH1 ARG 46 2HH1 ARG 46 37.942 3.948 -12.332 311 1HH2 ARG 46 1HH2 ARG 46 37.098 5.153 -9.161 312 2HH2 ARG 46 2HH2 ARG 46 37.792 5.544 -10.699 313 H ARG 47 H ARG 47 35.252 -3.987 -9.082 314 HA ARG 47 HA ARG 47 36.286 -6.012 -9.156 315 1HB ARG 47 2HB ARG 47 37.185 -5.287 -11.941 316 2HB ARG 47 1HB ARG 47 36.861 -6.887 -11.293 317 1HG ARG 47 2HG ARG 47 34.441 -5.847 -10.976 318 2HG ARG 47 1HG ARG 47 34.989 -4.833 -12.312 319 1HD ARG 47 2HD ARG 47 35.754 -7.211 -13.248 320 2HD ARG 47 1HD ARG 47 34.412 -7.736 -12.230 321 HE ARG 47 HE ARG 47 33.797 -5.532 -13.985 322 1HH1 ARG 47 1HH1 ARG 47 33.876 -9.002 -13.631 323 2HH1 ARG 47 2HH1 ARG 47 32.684 -9.279 -14.855 324 1HH2 ARG 47 1HH2 ARG 47 32.226 -5.892 -15.590 325 2HH2 ARG 47 2HH2 ARG 47 31.747 -7.513 -15.969 326 HA PRO 48 HA PRO 48 40.346 -4.244 -7.885 327 1HB PRO 48 2HB PRO 48 40.242 -6.793 -6.355 328 2HB PRO 48 1HB PRO 48 40.685 -5.171 -5.806 329 1HG PRO 48 2HG PRO 48 38.326 -6.244 -5.171 330 2HG PRO 48 1HG PRO 48 38.481 -4.517 -5.539 331 1HD PRO 48 2HD PRO 48 37.357 -6.718 -7.205 332 2HD PRO 48 1HD PRO 48 36.870 -5.013 -7.099 Start of MODEL 17 1 H VAL 1 H VAL 1 0.586 2.771 17.990 2 HA VAL 1 HA VAL 1 2.464 4.081 18.955 3 HB VAL 1 HB VAL 1 0.778 5.235 17.530 4 1HG1 VAL 1 1HG1 VAL 1 -0.515 6.144 20.120 5 2HG1 VAL 1 2HG1 VAL 1 -1.125 6.309 18.456 6 3HG1 VAL 1 3HG1 VAL 1 -1.100 4.712 19.240 7 1HG2 VAL 1 1HG2 VAL 1 2.673 6.508 18.410 8 2HG2 VAL 1 2HG2 VAL 1 1.216 7.529 18.438 9 3HG2 VAL 1 3HG2 VAL 1 1.811 6.787 19.942 10 H ASN 2 H ASN 2 1.643 6.378 20.584 11 HA ASN 2 HA ASN 2 0.872 5.380 23.155 12 1HB ASN 2 2HB ASN 2 3.752 6.052 22.592 13 2HB ASN 2 1HB ASN 2 3.076 6.128 24.215 14 1HD2 ASN 2 1HD2 ASN 2 2.095 4.149 25.049 15 2HD2 ASN 2 2HD2 ASN 2 2.768 2.628 24.580 16 H TYR 3 H TYR 3 0.369 7.569 21.107 17 HA TYR 3 HA TYR 3 1.084 10.018 22.460 18 1HB TYR 3 2HB TYR 3 -0.959 9.765 20.246 19 2HB TYR 3 1HB TYR 3 0.065 11.142 20.640 20 HD1 TYR 3 1HD TYR 3 2.459 11.122 20.023 21 HD2 TYR 3 2HD TYR 3 -0.171 7.999 18.830 22 HE1 TYR 3 1HE TYR 3 4.096 10.389 18.347 23 HE2 TYR 3 2HE TYR 3 1.463 7.260 17.155 24 HH TYR 3 HH TYR 3 4.247 9.124 16.344 25 H GLY 4 H GLY 4 -1.460 11.348 21.875 26 1HA GLY 4 2HA GLY 4 -3.658 10.198 23.167 27 2HA GLY 4 1HA GLY 4 -2.727 11.084 24.372 28 H ASN 5 H ASN 5 -4.204 11.433 21.165 29 HA ASN 5 HA ASN 5 -5.519 13.113 20.332 30 1HB ASN 5 2HB ASN 5 -5.939 13.575 22.927 31 2HB ASN 5 1HB ASN 5 -4.958 14.996 22.578 32 1HD2 ASN 5 1HD2 ASN 5 -7.662 15.037 23.365 33 2HD2 ASN 5 2HD2 ASN 5 -8.583 15.713 22.069 34 H GLY 6 H GLY 6 -3.911 13.279 18.742 35 1HA GLY 6 2HA GLY 6 -2.974 15.510 17.820 36 2HA GLY 6 1HA GLY 6 -1.877 15.357 19.185 37 H VAL 7 H VAL 7 -2.779 14.071 16.063 38 HA VAL 7 HA VAL 7 -1.642 12.827 14.529 39 HB VAL 7 HB VAL 7 0.779 13.599 16.169 40 1HG1 VAL 7 1HG1 VAL 7 1.305 11.729 14.753 41 2HG1 VAL 7 2HG1 VAL 7 2.022 13.184 14.066 42 3HG1 VAL 7 3HG1 VAL 7 0.547 12.515 13.368 43 1HG2 VAL 7 1HG2 VAL 7 0.242 15.660 15.460 44 2HG2 VAL 7 2HG2 VAL 7 -0.884 15.055 14.246 45 3HG2 VAL 7 3HG2 VAL 7 0.843 15.109 13.898 46 H SER 8 H SER 8 -1.869 10.684 14.446 47 HA SER 8 HA SER 8 -0.274 8.910 15.967 48 1HB SER 8 2HB SER 8 -1.931 7.857 17.354 49 2HB SER 8 1HB SER 8 -1.959 9.585 17.697 50 HG SER 8 HG SER 8 -4.054 9.040 17.432 51 H CYS 9 H CYS 9 -0.059 7.071 14.909 52 HA CYS 9 HA CYS 9 -0.337 5.398 13.429 53 1HB CYS 9 2HB CYS 9 -3.173 6.172 13.956 54 2HB CYS 9 1HB CYS 9 -2.830 5.034 12.655 55 H SER 10 H SER 10 -2.428 8.094 12.380 56 HA SER 10 HA SER 10 -2.628 9.194 10.420 57 1HB SER 10 2HB SER 10 -0.652 9.610 9.093 58 2HB SER 10 1HB SER 10 -0.220 9.670 10.798 59 HG SER 10 HG SER 10 1.234 8.252 10.269 60 H LYS 11 H LYS 11 -3.626 6.540 10.470 61 HA LYS 11 HA LYS 11 -4.705 5.191 8.978 62 1HB LYS 11 2HB LYS 11 -4.534 7.224 7.419 63 2HB LYS 11 1HB LYS 11 -3.159 6.404 6.698 64 1HG LYS 11 2HG LYS 11 -4.474 4.654 5.888 65 2HG LYS 11 1HG LYS 11 -5.821 5.055 6.954 66 1HD LYS 11 2HD LYS 11 -6.650 6.570 5.520 67 2HD LYS 11 1HD LYS 11 -5.056 7.236 5.166 68 1HE LYS 11 2HE LYS 11 -5.986 4.604 4.052 69 2HE LYS 11 1HE LYS 11 -6.304 6.136 3.240 70 1HZ LYS 11 1HZ LYS 11 -4.141 6.393 2.672 71 2HZ LYS 11 2HZ LYS 11 -4.155 4.703 2.751 72 3HZ LYS 11 3HZ LYS 11 -3.551 5.605 4.049 73 H THR 12 H THR 12 -1.387 5.670 7.749 74 HA THR 12 HA THR 12 -1.139 2.818 7.301 75 HB THR 12 HB THR 12 -0.241 4.175 5.572 76 HG1 THR 12 1HG THR 12 2.000 3.372 7.109 77 1HG2 THR 12 1HG2 THR 12 1.865 5.613 6.298 78 2HG2 THR 12 2HG2 THR 12 0.920 5.758 7.780 79 3HG2 THR 12 3HG2 THR 12 0.233 6.281 6.242 80 H LYS 13 H LYS 13 -1.394 2.570 9.761 81 HA LYS 13 HA LYS 13 1.211 1.954 10.796 82 1HB LYS 13 2HB LYS 13 0.942 4.349 11.410 83 2HB LYS 13 1HB LYS 13 -0.494 3.920 12.325 84 1HG LYS 13 2HG LYS 13 0.872 3.733 14.071 85 2HG LYS 13 1HG LYS 13 1.390 2.210 13.346 86 1HD LYS 13 2HD LYS 13 2.759 4.490 12.180 87 2HD LYS 13 1HD LYS 13 2.993 4.403 13.926 88 1HE LYS 13 2HE LYS 13 4.723 3.087 13.194 89 2HE LYS 13 1HE LYS 13 3.464 1.875 13.425 90 1HZ LYS 13 1HZ LYS 13 3.200 1.587 11.195 91 2HZ LYS 13 2HZ LYS 13 4.841 1.993 11.219 92 3HZ LYS 13 3HZ LYS 13 3.690 3.159 10.803 93 H CYS 14 H CYS 14 -2.160 2.432 11.862 94 HA CYS 14 HA CYS 14 -2.092 -0.308 12.947 95 1HB CYS 14 2HB CYS 14 -3.591 0.469 14.744 96 2HB CYS 14 1HB CYS 14 -2.036 1.299 14.775 97 H SER 15 H SER 15 -2.926 0.295 10.342 98 HA SER 15 HA SER 15 -5.725 -0.521 10.534 99 1HB SER 15 2HB SER 15 -5.061 1.465 8.405 100 2HB SER 15 1HB SER 15 -6.597 1.155 9.212 101 HG SER 15 HG SER 15 -4.362 2.575 10.206 102 H VAL 16 H VAL 16 -6.504 -0.976 8.128 103 HA VAL 16 HA VAL 16 -4.494 -1.963 6.344 104 HB VAL 16 HB VAL 16 -4.407 -3.774 7.970 105 1HG1 VAL 16 1HG1 VAL 16 -6.968 -3.292 8.541 106 2HG1 VAL 16 2HG1 VAL 16 -6.183 -4.833 8.889 107 3HG1 VAL 16 3HG1 VAL 16 -7.179 -4.656 7.443 108 1HG2 VAL 16 1HG2 VAL 16 -5.957 -5.112 5.854 109 2HG2 VAL 16 2HG2 VAL 16 -4.304 -5.393 6.403 110 3HG2 VAL 16 3HG2 VAL 16 -4.653 -4.064 5.296 111 H ASN 17 H ASN 17 -5.459 -0.988 4.666 112 HA ASN 17 HA ASN 17 -8.275 -1.656 4.080 113 1HB ASN 17 2HB ASN 17 -6.638 0.785 3.702 114 2HB ASN 17 1HB ASN 17 -7.699 0.365 2.355 115 1HD2 ASN 17 1HD2 ASN 17 -9.848 0.685 2.540 116 2HD2 ASN 17 2HD2 ASN 17 -10.619 1.343 3.940 117 H TRP 18 H TRP 18 -8.828 -2.216 1.904 118 HA TRP 18 HA TRP 18 -7.302 -4.139 0.694 119 1HB TRP 18 2HB TRP 18 -9.741 -3.039 0.156 120 2HB TRP 18 1HB TRP 18 -8.811 -2.460 -1.224 121 HD1 TRP 18 HD TRP 18 -7.385 -4.561 -2.538 122 HE1 TRP 18 1HE TRP 18 -8.282 -6.903 -3.126 123 HE3 TRP 18 3HE TRP 18 -11.316 -4.781 0.732 124 HZ2 TRP 18 2HZ TRP 18 -10.372 -8.616 -2.311 125 HZ3 TRP 18 3HZ TRP 18 -12.711 -6.809 0.765 126 HH2 TRP 18 HH TRP 18 -12.248 -8.685 -0.727 127 H GLY 19 H GLY 19 -7.105 -0.669 0.310 128 1HA GLY 19 2HA GLY 19 -5.504 -0.534 -1.993 129 2HA GLY 19 1HA GLY 19 -5.569 0.681 -0.726 130 H GLN 20 H GLN 20 -4.488 -0.437 1.424 131 HA GLN 20 HA GLN 20 -1.751 -0.307 0.978 132 1HB GLN 20 2HB GLN 20 -3.194 -1.619 3.289 133 2HB GLN 20 1HB GLN 20 -1.500 -1.150 3.277 134 1HG GLN 20 2HG GLN 20 -2.488 1.211 2.692 135 2HG GLN 20 1HG GLN 20 -3.936 0.547 3.447 136 1HE2 GLN 20 1HE2 GLN 20 -2.445 -1.120 5.305 137 2HE2 GLN 20 2HE2 GLN 20 -1.790 -0.058 6.496 138 H ALA 21 H ALA 21 -3.884 -2.997 0.618 139 HA ALA 21 HA ALA 21 -2.056 -5.114 0.977 140 1HB ALA 21 1HB ALA 21 -4.145 -5.492 -1.064 141 2HB ALA 21 2HB ALA 21 -4.721 -4.968 0.519 142 3HB ALA 21 3HB ALA 21 -3.775 -6.448 0.371 143 H PHE 22 H PHE 22 -3.368 -4.070 -2.173 144 HA PHE 22 HA PHE 22 -1.460 -5.327 -3.732 145 1HB PHE 22 2HB PHE 22 -3.512 -4.143 -4.616 146 2HB PHE 22 1HB PHE 22 -2.629 -2.623 -4.435 147 HD1 PHE 22 1HD PHE 22 -2.611 -5.893 -6.165 148 HD2 PHE 22 2HD PHE 22 -1.035 -1.956 -5.943 149 HE1 PHE 22 1HE PHE 22 -1.424 -6.246 -8.279 150 HE2 PHE 22 2HE PHE 22 0.136 -2.290 -8.052 151 HZ PHE 22 HZ PHE 22 -0.053 -4.440 -9.249 152 H GLN 23 H GLN 23 -1.200 -2.272 -2.028 153 HA GLN 23 HA GLN 23 1.171 -1.464 -3.441 154 1HB GLN 23 2HB GLN 23 -0.544 -0.389 -1.285 155 2HB GLN 23 1HB GLN 23 1.146 0.076 -1.186 156 1HG GLN 23 2HG GLN 23 1.086 1.219 -3.194 157 2HG GLN 23 1HG GLN 23 -0.367 0.380 -3.740 158 1HE2 GLN 23 1HE2 GLN 23 -2.120 0.652 -1.784 159 2HE2 GLN 23 2HE2 GLN 23 -2.461 2.312 -1.453 160 H GLU 24 H GLU 24 0.472 -2.691 -0.181 161 HA GLU 24 HA GLU 24 3.105 -2.659 0.784 162 1HB GLU 24 2HB GLU 24 1.144 -2.950 2.239 163 2HB GLU 24 1HB GLU 24 0.827 -4.512 1.506 164 1HG GLU 24 2HG GLU 24 2.939 -5.359 2.370 165 2HG GLU 24 1HG GLU 24 3.274 -3.788 3.097 166 H ARG 25 H ARG 25 1.393 -4.772 -1.318 167 HA ARG 25 HA ARG 25 3.264 -6.943 -1.169 168 1HB ARG 25 2HB ARG 25 0.629 -6.592 -2.036 169 2HB ARG 25 1HB ARG 25 1.532 -6.902 -3.510 170 1HG ARG 25 2HG ARG 25 2.495 -8.925 -2.396 171 2HG ARG 25 1HG ARG 25 1.372 -8.644 -1.066 172 1HD ARG 25 2HD ARG 25 0.240 -8.722 -3.804 173 2HD ARG 25 1HD ARG 25 0.807 -10.246 -3.123 174 HE ARG 25 HE ARG 25 -1.557 -8.844 -2.411 175 1HH1 ARG 25 1HH1 ARG 25 0.984 -10.831 -1.083 176 2HH1 ARG 25 2HH1 ARG 25 0.006 -11.435 0.213 177 1HH2 ARG 25 1HH2 ARG 25 -2.846 -9.638 -0.709 178 2HH2 ARG 25 2HH2 ARG 25 -2.169 -10.758 0.425 179 H TYR 26 H TYR 26 2.280 -4.659 -3.725 180 HA TYR 26 HA TYR 26 4.503 -5.369 -5.405 181 1HB TYR 26 2HB TYR 26 3.393 -4.283 -7.031 182 2HB TYR 26 1HB TYR 26 2.060 -4.368 -5.900 183 HD1 TYR 26 1HD TYR 26 4.810 -2.108 -7.006 184 HD2 TYR 26 2HD TYR 26 0.973 -2.442 -5.267 185 HE1 TYR 26 1HE TYR 26 4.542 0.327 -7.099 186 HE2 TYR 26 2HE TYR 26 0.675 -0.027 -5.350 187 HH TYR 26 HH TYR 26 1.803 1.902 -6.946 188 H THR 27 H THR 27 3.731 -2.483 -3.435 189 HA THR 27 HA THR 27 6.017 -1.032 -4.204 190 HB THR 27 HB THR 27 4.823 -0.710 -1.474 191 HG1 THR 27 1HG THR 27 3.167 0.550 -2.492 192 1HG2 THR 27 1HG2 THR 27 4.968 1.713 -2.137 193 2HG2 THR 27 2HG2 THR 27 5.881 1.184 -3.550 194 3HG2 THR 27 3HG2 THR 27 6.508 0.880 -1.931 195 H ALA 28 H ALA 28 5.462 -3.367 -1.624 196 HA ALA 28 HA ALA 28 7.871 -3.050 -0.239 197 1HB ALA 28 1HB ALA 28 7.509 -5.425 0.484 198 2HB ALA 28 2HB ALA 28 6.126 -5.475 -0.608 199 3HB ALA 28 3HB ALA 28 6.137 -4.348 0.749 200 H GLY 29 H GLY 29 7.082 -5.275 -2.918 201 1HA GLY 29 2HA GLY 29 9.689 -6.401 -3.054 202 2HA GLY 29 1HA GLY 29 8.455 -6.502 -4.302 203 H ILE 30 H ILE 30 8.140 -3.788 -4.889 204 HA ILE 30 HA ILE 30 10.369 -3.397 -6.625 205 HB ILE 30 HB ILE 30 8.065 -2.728 -7.225 206 1HG1 ILE 30 2HG1 ILE 30 9.252 -0.097 -7.418 207 2HG1 ILE 30 1HG1 ILE 30 10.460 -1.342 -7.714 208 1HG2 ILE 30 1HG2 ILE 30 6.933 -0.937 -6.246 209 2HG2 ILE 30 2HG2 ILE 30 8.381 -0.352 -5.426 210 3HG2 ILE 30 3HG2 ILE 30 7.599 -1.835 -4.882 211 1HD1 ILE 30 1HD1 ILE 30 9.079 -2.297 -9.461 212 2HD1 ILE 30 2HD1 ILE 30 9.388 -0.588 -9.772 213 3HD1 ILE 30 3HD1 ILE 30 7.824 -1.102 -9.141 214 H ASN 31 H ASN 31 9.173 -1.659 -3.755 215 HA ASN 31 HA ASN 31 11.109 0.354 -3.708 216 1HB ASN 31 2HB ASN 31 8.958 0.172 -2.315 217 2HB ASN 31 1HB ASN 31 9.898 -0.832 -1.210 218 1HD2 ASN 31 1HD2 ASN 31 8.678 2.008 -1.242 219 2HD2 ASN 31 2HD2 ASN 31 9.941 2.975 -0.572 220 H SER 32 H SER 32 11.114 -2.895 -2.300 221 HA SER 32 HA SER 32 13.468 -2.685 -0.814 222 1HB SER 32 2HB SER 32 13.632 -5.192 -1.144 223 2HB SER 32 1HB SER 32 12.086 -4.627 -0.510 224 HG SER 32 HG SER 32 12.702 -5.747 -2.973 225 H PHE 33 H PHE 33 12.970 -3.693 -4.178 226 HA PHE 33 HA PHE 33 15.520 -4.348 -4.941 227 1HB PHE 33 2HB PHE 33 14.224 -4.581 -6.795 228 2HB PHE 33 1HB PHE 33 13.119 -3.311 -6.290 229 HD1 PHE 33 1HD PHE 33 15.823 -4.185 -8.470 230 HD2 PHE 33 2HD PHE 33 13.784 -0.916 -6.686 231 HE1 PHE 33 1HE PHE 33 16.815 -2.665 -10.130 232 HE2 PHE 33 2HE PHE 33 14.768 0.614 -8.340 233 HZ PHE 33 HZ PHE 33 16.285 -0.262 -10.070 234 H VAL 34 H VAL 34 14.122 -1.135 -4.516 235 HA VAL 34 HA VAL 34 16.351 0.294 -5.559 236 HB VAL 34 HB VAL 34 14.458 1.502 -3.569 237 1HG1 VAL 34 1HG1 VAL 34 15.613 2.645 -6.096 238 2HG1 VAL 34 2HG1 VAL 34 16.444 2.718 -4.543 239 3HG1 VAL 34 3HG1 VAL 34 14.878 3.505 -4.744 240 1HG2 VAL 34 1HG2 VAL 34 12.829 1.896 -5.295 241 2HG2 VAL 34 2HG2 VAL 34 13.127 0.165 -5.202 242 3HG2 VAL 34 3HG2 VAL 34 13.849 1.112 -6.499 243 H SER 35 H SER 35 15.174 0.206 -2.203 244 HA SER 35 HA SER 35 17.332 1.347 -0.968 245 1HB SER 35 2HB SER 35 15.688 -0.973 0.072 246 2HB SER 35 1HB SER 35 16.696 0.087 1.056 247 HG SER 35 HG SER 35 14.434 0.854 -0.481 248 H GLY 36 H GLY 36 16.905 -2.158 -1.531 249 1HA GLY 36 2HA GLY 36 19.377 -2.995 -0.534 250 2HA GLY 36 1HA GLY 36 18.448 -3.845 -1.757 251 H VAL 37 H VAL 37 18.481 -2.039 -3.826 252 HA VAL 37 HA VAL 37 21.089 -2.465 -4.908 253 HB VAL 37 HB VAL 37 18.659 -1.000 -5.939 254 1HG1 VAL 37 1HG1 VAL 37 21.398 -1.181 -7.103 255 2HG1 VAL 37 2HG1 VAL 37 20.260 0.166 -7.107 256 3HG1 VAL 37 3HG1 VAL 37 19.997 -1.213 -8.174 257 1HG2 VAL 37 1HG2 VAL 37 18.213 -2.887 -7.177 258 2HG2 VAL 37 2HG2 VAL 37 18.898 -3.588 -5.714 259 3HG2 VAL 37 3HG2 VAL 37 19.890 -3.426 -7.161 260 H ALA 38 H ALA 38 19.548 0.107 -3.190 261 HA ALA 38 HA ALA 38 21.366 2.176 -4.054 262 1HB ALA 38 1HB ALA 38 20.090 3.634 -2.802 263 2HB ALA 38 2HB ALA 38 19.640 2.398 -1.627 264 3HB ALA 38 3HB ALA 38 18.912 2.395 -3.231 265 H SER 39 H SER 39 21.290 -0.235 -1.581 266 HA SER 39 HA SER 39 22.970 1.021 0.316 267 1HB SER 39 2HB SER 39 21.476 -1.080 0.577 268 2HB SER 39 1HB SER 39 22.860 -1.960 -0.069 269 HG SER 39 HG SER 39 22.555 -1.484 2.375 270 H GLY 40 H GLY 40 23.615 -0.823 -2.590 271 1HA GLY 40 2HA GLY 40 25.758 -0.244 -3.683 272 2HA GLY 40 1HA GLY 40 26.512 -0.429 -2.108 273 H ALA 41 H ALA 41 24.154 -2.769 -2.458 274 HA ALA 41 HA ALA 41 24.182 -5.008 -2.858 275 1HB ALA 41 1HB ALA 41 26.328 -4.213 -4.807 276 2HB ALA 41 2HB ALA 41 24.616 -4.476 -5.140 277 3HB ALA 41 3HB ALA 41 25.646 -5.834 -4.689 278 H GLY 42 H GLY 42 26.237 -3.586 -1.002 279 1HA GLY 42 2HA GLY 42 27.286 -5.926 0.155 280 2HA GLY 42 1HA GLY 42 28.536 -5.184 -0.831 281 H SER 43 H SER 43 26.215 -4.435 1.750 282 HA SER 43 HA SER 43 28.099 -2.413 2.760 283 1HB SER 43 2HB SER 43 25.158 -2.605 2.697 284 2HB SER 43 1HB SER 43 25.830 -2.016 4.216 285 HG SER 43 HG SER 43 26.437 -0.971 1.648 286 H ILE 44 H ILE 44 26.792 -5.509 3.403 287 HA ILE 44 HA ILE 44 26.760 -6.873 5.249 288 HB ILE 44 HB ILE 44 28.943 -7.112 6.341 289 1HG1 ILE 44 2HG1 ILE 44 29.800 -4.691 4.743 290 2HG1 ILE 44 1HG1 ILE 44 29.418 -4.648 6.462 291 1HG2 ILE 44 1HG2 ILE 44 30.300 -7.503 4.290 292 2HG2 ILE 44 2HG2 ILE 44 29.043 -6.689 3.360 293 3HG2 ILE 44 3HG2 ILE 44 28.676 -8.185 4.218 294 1HD1 ILE 44 1HD1 ILE 44 31.680 -6.076 5.104 295 2HD1 ILE 44 2HD1 ILE 44 31.220 -6.377 6.780 296 3HD1 ILE 44 3HD1 ILE 44 31.762 -4.772 6.289 297 H GLY 45 H GLY 45 25.346 -4.571 5.802 298 1HA GLY 45 2HA GLY 45 25.750 -4.411 8.699 299 2HA GLY 45 1HA GLY 45 25.745 -2.901 7.798 300 H ARG 46 H ARG 46 23.790 -5.880 7.904 301 HA ARG 46 HA ARG 46 21.386 -4.313 7.465 302 1HB ARG 46 2HB ARG 46 21.998 -7.244 7.569 303 2HB ARG 46 1HB ARG 46 20.334 -6.692 7.703 304 1HG ARG 46 2HG ARG 46 20.396 -6.945 5.465 305 2HG ARG 46 1HG ARG 46 21.059 -5.312 5.534 306 1HD ARG 46 2HD ARG 46 22.885 -6.047 4.507 307 2HD ARG 46 1HD ARG 46 23.224 -7.077 5.897 308 HE ARG 46 HE ARG 46 21.366 -8.421 4.345 309 1HH1 ARG 46 1HH1 ARG 46 24.636 -7.253 3.998 310 2HH1 ARG 46 2HH1 ARG 46 25.091 -8.488 2.873 311 1HH2 ARG 46 1HH2 ARG 46 21.961 -10.046 2.866 312 2HH2 ARG 46 2HH2 ARG 46 23.572 -10.075 2.229 313 H ARG 47 H ARG 47 22.862 -6.222 10.029 314 HA ARG 47 HA ARG 47 22.179 -6.696 12.176 315 1HB ARG 47 2HB ARG 47 21.890 -3.695 12.136 316 2HB ARG 47 1HB ARG 47 22.158 -4.691 13.558 317 1HG ARG 47 2HG ARG 47 24.179 -5.222 11.592 318 2HG ARG 47 1HG ARG 47 24.084 -3.491 11.923 319 1HD ARG 47 2HD ARG 47 24.749 -3.730 14.087 320 2HD ARG 47 1HD ARG 47 24.042 -5.338 14.242 321 HE ARG 47 HE ARG 47 26.028 -5.863 12.584 322 1HH1 ARG 47 1HH1 ARG 47 26.033 -3.900 15.476 323 2HH1 ARG 47 2HH1 ARG 47 27.705 -4.188 15.812 324 1HH2 ARG 47 1HH2 ARG 47 28.221 -6.241 13.032 325 2HH2 ARG 47 2HH2 ARG 47 28.948 -5.516 14.427 326 HA PRO 48 HA PRO 48 17.662 -6.703 11.977 327 1HB PRO 48 2HB PRO 48 17.283 -8.960 13.379 328 2HB PRO 48 1HB PRO 48 17.833 -8.997 11.698 329 1HG PRO 48 2HG PRO 48 19.425 -9.279 14.218 330 2HG PRO 48 1HG PRO 48 19.537 -10.214 12.717 331 1HD PRO 48 2HD PRO 48 21.228 -8.158 13.353 332 2HD PRO 48 1HD PRO 48 20.841 -8.633 11.687 Start of MODEL 18 1 H VAL 1 H VAL 1 -16.714 3.061 5.421 2 HA VAL 1 HA VAL 1 -17.451 4.874 3.891 3 HB VAL 1 HB VAL 1 -19.132 3.271 3.975 4 1HG1 VAL 1 1HG1 VAL 1 -20.512 2.933 6.105 5 2HG1 VAL 1 2HG1 VAL 1 -18.806 2.431 6.199 6 3HG1 VAL 1 3HG1 VAL 1 -19.322 3.970 6.928 7 1HG2 VAL 1 1HG2 VAL 1 -21.055 4.516 3.831 8 2HG2 VAL 1 2HG2 VAL 1 -20.806 5.277 5.421 9 3HG2 VAL 1 3HG2 VAL 1 -19.914 5.872 4.000 10 H ASN 2 H ASN 2 -16.154 6.546 5.286 11 HA ASN 2 HA ASN 2 -17.933 8.733 5.770 12 1HB ASN 2 2HB ASN 2 -16.555 7.337 8.031 13 2HB ASN 2 1HB ASN 2 -16.714 9.090 8.090 14 1HD2 ASN 2 1HD2 ASN 2 -17.961 6.671 9.513 15 2HD2 ASN 2 2HD2 ASN 2 -19.647 7.046 9.525 16 H TYR 3 H TYR 3 -16.758 9.725 4.103 17 HA TYR 3 HA TYR 3 -13.881 9.825 4.235 18 1HB TYR 3 2HB TYR 3 -15.788 11.354 2.428 19 2HB TYR 3 1HB TYR 3 -14.042 11.238 2.223 20 HD1 TYR 3 1HD TYR 3 -17.200 9.731 1.499 21 HD2 TYR 3 2HD TYR 3 -13.042 8.910 1.851 22 HE1 TYR 3 1HE TYR 3 -17.504 7.662 0.212 23 HE2 TYR 3 2HE TYR 3 -13.336 6.840 0.560 24 HH TYR 3 HH TYR 3 -15.252 5.227 0.083 25 H GLY 4 H GLY 4 -12.606 11.618 4.675 26 1HA GLY 4 2HA GLY 4 -12.258 13.908 5.287 27 2HA GLY 4 1HA GLY 4 -13.925 13.982 5.850 28 H ASN 5 H ASN 5 -14.473 12.848 7.816 29 HA ASN 5 HA ASN 5 -12.404 13.074 9.791 30 1HB ASN 5 2HB ASN 5 -15.248 12.103 10.084 31 2HB ASN 5 1HB ASN 5 -14.171 12.563 11.401 32 1HD2 ASN 5 1HD2 ASN 5 -16.780 13.641 10.581 33 2HD2 ASN 5 2HD2 ASN 5 -16.526 15.329 10.312 34 H GLY 6 H GLY 6 -14.382 10.388 8.538 35 1HA GLY 6 2HA GLY 6 -13.418 8.352 10.153 36 2HA GLY 6 1HA GLY 6 -14.026 8.125 8.521 37 H VAL 7 H VAL 7 -12.389 8.782 6.778 38 HA VAL 7 HA VAL 7 -9.935 7.329 7.371 39 HB VAL 7 HB VAL 7 -11.178 6.816 5.301 40 1HG1 VAL 7 1HG1 VAL 7 -11.991 9.095 4.841 41 2HG1 VAL 7 2HG1 VAL 7 -11.209 8.359 3.441 42 3HG1 VAL 7 3HG1 VAL 7 -10.351 9.570 4.396 43 1HG2 VAL 7 1HG2 VAL 7 -8.722 6.458 5.493 44 2HG2 VAL 7 2HG2 VAL 7 -8.481 8.012 4.694 45 3HG2 VAL 7 3HG2 VAL 7 -9.283 6.696 3.838 46 H SER 8 H SER 8 -8.032 8.258 7.763 47 HA SER 8 HA SER 8 -7.813 11.124 7.824 48 1HB SER 8 2HB SER 8 -6.778 9.542 9.510 49 2HB SER 8 1HB SER 8 -5.600 9.112 8.268 50 HG SER 8 HG SER 8 -4.573 10.878 8.718 51 H CYS 9 H CYS 9 -8.090 11.603 5.564 52 HA CYS 9 HA CYS 9 -6.398 10.603 3.542 53 1HB CYS 9 2HB CYS 9 -8.657 12.029 3.471 54 2HB CYS 9 1HB CYS 9 -7.509 13.352 3.270 55 H SER 10 H SER 10 -6.255 13.539 5.497 56 HA SER 10 HA SER 10 -4.620 15.048 5.892 57 1HB SER 10 2HB SER 10 -2.221 13.934 5.808 58 2HB SER 10 1HB SER 10 -3.373 13.538 7.081 59 HG SER 10 HG SER 10 -2.242 11.783 5.762 60 H LYS 11 H LYS 11 -2.596 13.220 3.629 61 HA LYS 11 HA LYS 11 -2.968 15.111 1.488 62 1HB LYS 11 2HB LYS 11 -0.765 15.433 3.411 63 2HB LYS 11 1HB LYS 11 -0.267 15.439 1.728 64 1HG LYS 11 2HG LYS 11 -2.542 17.158 2.598 65 2HG LYS 11 1HG LYS 11 -0.881 17.662 2.908 66 1HD LYS 11 2HD LYS 11 -1.777 16.788 0.180 67 2HD LYS 11 1HD LYS 11 -1.987 18.451 0.734 68 1HE LYS 11 2HE LYS 11 0.267 18.871 0.757 69 2HE LYS 11 1HE LYS 11 0.688 17.181 1.026 70 1HZ LYS 11 1HZ LYS 11 -0.168 16.818 -1.323 71 2HZ LYS 11 2HZ LYS 11 1.314 17.617 -1.162 72 3HZ LYS 11 3HZ LYS 11 -0.088 18.498 -1.503 73 H THR 12 H THR 12 -1.422 12.273 2.803 74 HA THR 12 HA THR 12 -0.156 11.623 0.269 75 HB THR 12 HB THR 12 -0.330 9.636 2.487 76 HG1 THR 12 1HG THR 12 1.122 10.712 3.721 77 1HG2 THR 12 1HG2 THR 12 1.174 9.845 0.182 78 2HG2 THR 12 2HG2 THR 12 1.464 8.750 1.535 79 3HG2 THR 12 3HG2 THR 12 2.289 10.308 1.466 80 H LYS 13 H LYS 13 -1.975 11.471 -1.070 81 HA LYS 13 HA LYS 13 -3.800 10.544 -2.054 82 1HB LYS 13 2HB LYS 13 -3.627 8.231 -2.550 83 2HB LYS 13 1HB LYS 13 -1.984 8.835 -2.425 84 1HG LYS 13 2HG LYS 13 -3.083 7.746 0.070 85 2HG LYS 13 1HG LYS 13 -2.901 6.582 -1.240 86 1HD LYS 13 2HD LYS 13 -0.668 8.449 -0.531 87 2HD LYS 13 1HD LYS 13 -0.920 6.958 0.377 88 1HE LYS 13 2HE LYS 13 0.279 5.925 -1.190 89 2HE LYS 13 1HE LYS 13 -1.079 6.183 -2.285 90 1HZ LYS 13 1HZ LYS 13 1.373 7.808 -1.990 91 2HZ LYS 13 2HZ LYS 13 -0.012 8.427 -2.736 92 3HZ LYS 13 3HZ LYS 13 0.759 7.068 -3.383 93 H CYS 14 H CYS 14 -5.482 8.497 -1.609 94 HA CYS 14 HA CYS 14 -6.357 8.784 1.173 95 1HB CYS 14 2HB CYS 14 -7.569 10.096 -0.955 96 2HB CYS 14 1HB CYS 14 -8.599 8.698 -0.666 97 H SER 15 H SER 15 -8.816 7.365 0.768 98 HA SER 15 HA SER 15 -7.800 4.703 0.943 99 1HB SER 15 2HB SER 15 -10.078 6.024 1.850 100 2HB SER 15 1HB SER 15 -10.693 4.848 0.697 101 HG SER 15 HG SER 15 -9.333 3.300 1.886 102 H VAL 16 H VAL 16 -8.390 2.931 -0.338 103 HA VAL 16 HA VAL 16 -9.774 3.230 -2.810 104 HB VAL 16 HB VAL 16 -7.674 4.312 -3.454 105 1HG1 VAL 16 1HG1 VAL 16 -6.059 1.873 -3.317 106 2HG1 VAL 16 2HG1 VAL 16 -6.462 2.581 -1.751 107 3HG1 VAL 16 3HG1 VAL 16 -5.626 3.544 -2.968 108 1HG2 VAL 16 1HG2 VAL 16 -8.718 3.220 -5.246 109 2HG2 VAL 16 2HG2 VAL 16 -8.276 1.622 -4.645 110 3HG2 VAL 16 3HG2 VAL 16 -7.041 2.684 -5.320 111 H ASN 17 H ASN 17 -10.563 1.304 -3.397 112 HA ASN 17 HA ASN 17 -10.193 -0.980 -1.800 113 1HB ASN 17 2HB ASN 17 -12.191 -0.422 -3.290 114 2HB ASN 17 1HB ASN 17 -11.230 -1.027 -4.640 115 1HD2 ASN 17 1HD2 ASN 17 -12.319 -1.951 -1.398 116 2HD2 ASN 17 2HD2 ASN 17 -12.559 -3.622 -1.765 117 H TRP 18 H TRP 18 -8.973 -2.835 -2.063 118 HA TRP 18 HA TRP 18 -7.158 -4.104 -2.681 119 1HB TRP 18 2HB TRP 18 -8.724 -3.951 -4.885 120 2HB TRP 18 1HB TRP 18 -7.275 -3.174 -5.513 121 HD1 TRP 18 HD TRP 18 -5.271 -4.710 -6.140 122 HE1 TRP 18 1HE TRP 18 -4.851 -7.247 -6.049 123 HE3 TRP 18 3HE TRP 18 -9.381 -6.119 -3.448 124 HZ2 TRP 18 2HZ TRP 18 -6.099 -9.541 -4.983 125 HZ3 TRP 18 3HZ TRP 18 -9.693 -8.505 -2.937 126 HH2 TRP 18 HH TRP 18 -8.085 -10.178 -3.690 127 H GLY 19 H GLY 19 -6.752 -1.408 -1.794 128 1HA GLY 19 2HA GLY 19 -4.391 -0.545 -3.345 129 2HA GLY 19 1HA GLY 19 -5.299 0.450 -2.215 130 H GLN 20 H GLN 20 -5.486 -1.266 -0.055 131 HA GLN 20 HA GLN 20 -2.989 -0.842 1.189 132 1HB GLN 20 2HB GLN 20 -5.477 -1.235 2.122 133 2HB GLN 20 1HB GLN 20 -4.850 -2.863 2.332 134 1HG GLN 20 2HG GLN 20 -4.303 -1.999 4.351 135 2HG GLN 20 1HG GLN 20 -2.848 -1.553 3.460 136 1HE2 GLN 20 1HE2 GLN 20 -5.957 -0.376 4.610 137 2HE2 GLN 20 2HE2 GLN 20 -5.515 1.294 4.664 138 H ALA 21 H ALA 21 -4.525 -3.702 -0.185 139 HA ALA 21 HA ALA 21 -2.468 -5.532 0.556 140 1HB ALA 21 1HB ALA 21 -3.725 -7.119 -0.509 141 2HB ALA 21 2HB ALA 21 -4.195 -6.023 -1.808 142 3HB ALA 21 3HB ALA 21 -4.962 -5.894 -0.228 143 H PHE 22 H PHE 22 -3.359 -4.332 -2.688 144 HA PHE 22 HA PHE 22 -1.104 -5.254 -4.001 145 1HB PHE 22 2HB PHE 22 -3.121 -4.244 -5.121 146 2HB PHE 22 1HB PHE 22 -2.492 -2.656 -4.681 147 HD1 PHE 22 1HD PHE 22 -0.919 -5.740 -6.076 148 HD2 PHE 22 2HD PHE 22 -1.663 -1.579 -6.477 149 HE1 PHE 22 1HE PHE 22 0.539 -5.670 -8.039 150 HE2 PHE 22 2HE PHE 22 -0.220 -1.503 -8.444 151 HZ PHE 22 HZ PHE 22 0.887 -3.550 -9.246 152 H GLN 23 H GLN 23 -1.463 -2.298 -2.091 153 HA GLN 23 HA GLN 23 0.971 -1.165 -3.118 154 1HB GLN 23 2HB GLN 23 -0.949 0.195 -2.163 155 2HB GLN 23 1HB GLN 23 -0.435 -0.349 -0.572 156 1HG GLN 23 2HG GLN 23 1.867 0.588 -1.215 157 2HG GLN 23 1HG GLN 23 1.007 1.435 -2.498 158 1HE2 GLN 23 1HE2 GLN 23 1.560 1.181 0.908 159 2HE2 GLN 23 2HE2 GLN 23 0.768 2.649 1.359 160 H GLU 24 H GLU 24 0.024 -3.067 -0.350 161 HA GLU 24 HA GLU 24 2.507 -2.823 1.045 162 1HB GLU 24 2HB GLU 24 0.376 -3.390 2.175 163 2HB GLU 24 1HB GLU 24 0.326 -4.910 1.292 164 1HG GLU 24 2HG GLU 24 1.103 -5.272 3.542 165 2HG GLU 24 1HG GLU 24 2.396 -5.605 2.392 166 H ARG 25 H ARG 25 1.176 -4.858 -1.407 167 HA ARG 25 HA ARG 25 3.180 -6.904 -1.268 168 1HB ARG 25 2HB ARG 25 0.635 -6.703 -2.268 169 2HB ARG 25 1HB ARG 25 1.598 -6.619 -3.735 170 1HG ARG 25 2HG ARG 25 2.026 -8.769 -1.691 171 2HG ARG 25 1HG ARG 25 0.805 -8.910 -2.958 172 1HD ARG 25 2HD ARG 25 2.620 -9.951 -3.935 173 2HD ARG 25 1HD ARG 25 2.774 -8.306 -4.548 174 HE ARG 25 HE ARG 25 4.255 -8.374 -2.232 175 1HH1 ARG 25 1HH1 ARG 25 4.269 -10.084 -5.274 176 2HH1 ARG 25 2HH1 ARG 25 5.977 -10.366 -5.250 177 1HH2 ARG 25 1HH2 ARG 25 6.502 -8.744 -2.199 178 2HH2 ARG 25 2HH2 ARG 25 7.245 -9.606 -3.505 179 H TYR 26 H TYR 26 2.298 -4.474 -3.709 180 HA TYR 26 HA TYR 26 4.583 -4.898 -5.322 181 1HB TYR 26 2HB TYR 26 3.477 -3.626 -6.789 182 2HB TYR 26 1HB TYR 26 2.162 -3.802 -5.647 183 HD1 TYR 26 1HD TYR 26 4.845 -1.457 -6.717 184 HD2 TYR 26 2HD TYR 26 1.214 -1.962 -4.642 185 HE1 TYR 26 1HE TYR 26 4.542 0.972 -6.633 186 HE2 TYR 26 2HE TYR 26 0.859 0.446 -4.560 187 HH TYR 26 HH TYR 26 2.833 2.566 -4.701 188 H THR 27 H THR 27 3.754 -2.034 -3.318 189 HA THR 27 HA THR 27 6.139 -0.665 -3.706 190 HB THR 27 HB THR 27 4.834 -0.588 -1.025 191 HG1 THR 27 1HG THR 27 3.035 -0.670 -2.180 192 1HG2 THR 27 1HG2 THR 27 5.087 1.782 -1.207 193 2HG2 THR 27 2HG2 THR 27 5.623 1.640 -2.882 194 3HG2 THR 27 3HG2 THR 27 6.626 1.005 -1.577 195 H ALA 28 H ALA 28 5.338 -3.127 -1.326 196 HA ALA 28 HA ALA 28 7.632 -2.978 0.237 197 1HB ALA 28 1HB ALA 28 5.877 -5.328 -0.431 198 2HB ALA 28 2HB ALA 28 5.778 -4.276 0.981 199 3HB ALA 28 3HB ALA 28 7.149 -5.371 0.790 200 H GLY 29 H GLY 29 7.026 -4.898 -2.688 201 1HA GLY 29 2HA GLY 29 9.644 -6.076 -2.672 202 2HA GLY 29 1HA GLY 29 8.457 -6.185 -3.960 203 H ILE 30 H ILE 30 8.123 -3.466 -4.555 204 HA ILE 30 HA ILE 30 10.383 -3.061 -6.235 205 HB ILE 30 HB ILE 30 8.069 -2.375 -6.835 206 1HG1 ILE 30 2HG1 ILE 30 8.735 -0.177 -7.841 207 2HG1 ILE 30 1HG1 ILE 30 10.203 -0.231 -6.870 208 1HG2 ILE 30 1HG2 ILE 30 7.872 -1.285 -4.417 209 2HG2 ILE 30 2HG2 ILE 30 6.897 -0.750 -5.785 210 3HG2 ILE 30 3HG2 ILE 30 8.340 0.152 -5.324 211 1HD1 ILE 30 1HD1 ILE 30 10.846 -2.313 -8.006 212 2HD1 ILE 30 2HD1 ILE 30 10.663 -0.957 -9.118 213 3HD1 ILE 30 3HD1 ILE 30 9.402 -2.186 -9.012 214 H ASN 31 H ASN 31 9.416 -1.739 -3.123 215 HA ASN 31 HA ASN 31 11.265 0.438 -3.179 216 1HB ASN 31 2HB ASN 31 9.179 0.163 -1.678 217 2HB ASN 31 1HB ASN 31 10.226 -0.809 -0.640 218 1HD2 ASN 31 1HD2 ASN 31 10.201 0.613 1.055 219 2HD2 ASN 31 2HD2 ASN 31 10.978 2.156 1.005 220 H SER 32 H SER 32 11.321 -2.811 -1.742 221 HA SER 32 HA SER 32 13.823 -2.549 -0.487 222 1HB SER 32 2HB SER 32 13.829 -5.043 -0.451 223 2HB SER 32 1HB SER 32 12.313 -4.348 0.123 224 HG SER 32 HG SER 32 11.932 -6.054 -1.328 225 H PHE 33 H PHE 33 12.929 -3.480 -3.756 226 HA PHE 33 HA PHE 33 15.384 -4.514 -4.619 227 1HB PHE 33 2HB PHE 33 13.990 -4.871 -6.354 228 2HB PHE 33 1HB PHE 33 12.903 -3.593 -5.836 229 HD1 PHE 33 1HD PHE 33 12.810 -1.556 -6.987 230 HD2 PHE 33 2HD PHE 33 16.014 -4.239 -7.747 231 HE1 PHE 33 1HE PHE 33 13.508 -0.167 -8.881 232 HE2 PHE 33 2HE PHE 33 16.720 -2.857 -9.653 233 HZ PHE 33 HZ PHE 33 15.464 -0.819 -10.225 234 H VAL 34 H VAL 34 14.238 -1.204 -4.324 235 HA VAL 34 HA VAL 34 16.392 0.012 -5.736 236 HB VAL 34 HB VAL 34 14.813 1.425 -3.620 237 1HG1 VAL 34 1HG1 VAL 34 14.957 3.203 -5.475 238 2HG1 VAL 34 2HG1 VAL 34 16.206 2.163 -6.161 239 3HG1 VAL 34 3HG1 VAL 34 16.407 2.834 -4.543 240 1HG2 VAL 34 1HG2 VAL 34 13.274 1.898 -5.734 241 2HG2 VAL 34 2HG2 VAL 34 12.980 0.540 -4.650 242 3HG2 VAL 34 3HG2 VAL 34 13.820 0.281 -6.176 243 H SER 35 H SER 35 15.641 0.116 -2.268 244 HA SER 35 HA SER 35 18.019 1.209 -1.402 245 1HB SER 35 2HB SER 35 16.615 -0.958 0.144 246 2HB SER 35 1HB SER 35 17.485 0.444 0.766 247 HG SER 35 HG SER 35 14.895 0.239 -0.191 248 H GLY 36 H GLY 36 17.297 -2.163 -2.149 249 1HA GLY 36 2HA GLY 36 19.654 -3.322 -1.149 250 2HA GLY 36 1HA GLY 36 18.673 -3.977 -2.455 251 H VAL 37 H VAL 37 18.901 -1.979 -4.342 252 HA VAL 37 HA VAL 37 21.553 -2.499 -5.364 253 HB VAL 37 HB VAL 37 20.813 -1.302 -7.365 254 1HG1 VAL 37 1HG1 VAL 37 18.866 -2.760 -7.943 255 2HG1 VAL 37 2HG1 VAL 37 18.846 -3.299 -6.263 256 3HG1 VAL 37 3HG1 VAL 37 20.254 -3.618 -7.274 257 1HG2 VAL 37 1HG2 VAL 37 18.160 -0.856 -6.016 258 2HG2 VAL 37 2HG2 VAL 37 18.709 -0.240 -7.573 259 3HG2 VAL 37 3HG2 VAL 37 19.420 0.377 -6.082 260 H ALA 38 H ALA 38 19.872 0.106 -3.788 261 HA ALA 38 HA ALA 38 21.749 2.149 -4.560 262 1HB ALA 38 1HB ALA 38 19.606 2.963 -4.205 263 2HB ALA 38 2HB ALA 38 20.461 3.430 -2.734 264 3HB ALA 38 3HB ALA 38 19.390 2.030 -2.724 265 H SER 39 H SER 39 21.561 -0.213 -2.057 266 HA SER 39 HA SER 39 22.985 1.075 -0.015 267 1HB SER 39 2HB SER 39 21.747 -1.104 0.192 268 2HB SER 39 1HB SER 39 23.087 -1.879 -0.655 269 HG SER 39 HG SER 39 24.378 -1.551 1.047 270 H GLY 40 H GLY 40 24.052 -0.524 -2.937 271 1HA GLY 40 2HA GLY 40 26.301 0.609 -3.579 272 2HA GLY 40 1HA GLY 40 26.864 -0.200 -2.122 273 H ALA 41 H ALA 41 24.750 -1.213 -4.808 274 HA ALA 41 HA ALA 41 25.841 -3.839 -4.851 275 1HB ALA 41 1HB ALA 41 23.905 -2.320 -6.528 276 2HB ALA 41 2HB ALA 41 23.700 -3.841 -5.660 277 3HB ALA 41 3HB ALA 41 24.599 -3.804 -7.177 278 H GLY 42 H GLY 42 26.426 -0.905 -6.711 279 1HA GLY 42 2HA GLY 42 28.442 -2.311 -8.332 280 2HA GLY 42 1HA GLY 42 27.745 -0.740 -8.692 281 H SER 43 H SER 43 28.154 -0.004 -5.761 282 HA SER 43 HA SER 43 30.572 1.376 -6.087 283 1HB SER 43 2HB SER 43 28.923 2.217 -4.546 284 2HB SER 43 1HB SER 43 28.992 0.735 -3.590 285 HG SER 43 HG SER 43 30.582 1.591 -2.535 286 H ILE 44 H ILE 44 29.854 -1.435 -4.013 287 HA ILE 44 HA ILE 44 32.709 -2.158 -4.176 288 HB ILE 44 HB ILE 44 32.211 -1.260 -1.949 289 1HG1 ILE 44 2HG1 ILE 44 32.499 -4.126 -1.320 290 2HG1 ILE 44 1HG1 ILE 44 33.604 -3.521 -2.551 291 1HG2 ILE 44 1HG2 ILE 44 30.668 -2.296 -0.453 292 2HG2 ILE 44 2HG2 ILE 44 30.318 -3.576 -1.614 293 3HG2 ILE 44 3HG2 ILE 44 29.808 -1.921 -1.945 294 1HD1 ILE 44 1HD1 ILE 44 33.441 -1.756 -0.259 295 2HD1 ILE 44 2HD1 ILE 44 34.849 -2.474 -1.043 296 3HD1 ILE 44 3HD1 ILE 44 33.955 -3.386 0.174 297 H GLY 45 H GLY 45 29.447 -3.408 -3.471 298 1HA GLY 45 2HA GLY 45 28.509 -5.466 -3.869 299 2HA GLY 45 1HA GLY 45 29.521 -5.483 -5.303 300 H ARG 46 H ARG 46 31.025 -5.321 -2.180 301 HA ARG 46 HA ARG 46 32.250 -7.905 -2.656 302 1HB ARG 46 2HB ARG 46 33.553 -5.913 -1.853 303 2HB ARG 46 1HB ARG 46 32.690 -6.037 -0.326 304 1HG ARG 46 2HG ARG 46 34.240 -8.348 -1.437 305 2HG ARG 46 1HG ARG 46 35.016 -7.084 -0.482 306 1HD ARG 46 2HD ARG 46 34.375 -8.132 1.369 307 2HD ARG 46 1HD ARG 46 32.694 -7.847 0.923 308 HE ARG 46 HE ARG 46 33.712 -10.109 -0.441 309 1HH1 ARG 46 1HH1 ARG 46 32.619 -9.069 2.707 310 2HH1 ARG 46 2HH1 ARG 46 32.133 -10.657 3.201 311 1HH2 ARG 46 1HH2 ARG 46 33.074 -12.199 0.209 312 2HH2 ARG 46 2HH2 ARG 46 32.392 -12.432 1.784 313 H ARG 47 H ARG 47 30.224 -6.385 -0.174 314 HA ARG 47 HA ARG 47 30.038 -8.768 1.388 315 1HB ARG 47 2HB ARG 47 28.450 -6.200 1.479 316 2HB ARG 47 1HB ARG 47 28.267 -7.510 2.634 317 1HG ARG 47 2HG ARG 47 30.974 -6.353 2.202 318 2HG ARG 47 1HG ARG 47 29.794 -5.447 3.150 319 1HD ARG 47 2HD ARG 47 30.669 -8.285 3.680 320 2HD ARG 47 1HD ARG 47 31.223 -6.861 4.559 321 HE ARG 47 HE ARG 47 28.709 -8.227 4.867 322 1HH1 ARG 47 1HH1 ARG 47 30.411 -5.215 5.332 323 2HH1 ARG 47 2HH1 ARG 47 29.357 -4.671 6.593 324 1HH2 ARG 47 1HH2 ARG 47 27.324 -7.512 6.528 325 2HH2 ARG 47 2HH2 ARG 47 27.606 -5.974 7.273 326 HA PRO 48 HA PRO 48 25.704 -9.134 -0.588 327 1HB PRO 48 2HB PRO 48 25.014 -7.590 -2.668 328 2HB PRO 48 1HB PRO 48 24.876 -7.006 -1.004 329 1HG PRO 48 2HG PRO 48 27.033 -6.486 -3.019 330 2HG PRO 48 1HG PRO 48 26.225 -5.343 -1.931 331 1HD PRO 48 2HD PRO 48 28.661 -6.428 -1.403 332 2HD PRO 48 1HD PRO 48 27.533 -5.930 -0.140 Start of MODEL 19 1 H VAL 1 H VAL 1 -6.796 13.422 0.424 2 HA VAL 1 HA VAL 1 -6.334 12.598 -1.873 3 HB VAL 1 HB VAL 1 -8.453 13.732 -1.576 4 1HG1 VAL 1 1HG1 VAL 1 -8.498 16.266 -2.005 5 2HG1 VAL 1 2HG1 VAL 1 -7.826 15.743 -0.442 6 3HG1 VAL 1 3HG1 VAL 1 -6.735 16.233 -1.761 7 1HG2 VAL 1 1HG2 VAL 1 -6.809 14.499 -3.998 8 2HG2 VAL 1 2HG2 VAL 1 -8.115 13.298 -3.865 9 3HG2 VAL 1 3HG2 VAL 1 -8.499 15.036 -3.847 10 H ASN 2 H ASN 2 -6.145 14.186 -4.103 11 HA ASN 2 HA ASN 2 -3.915 15.932 -4.019 12 1HB ASN 2 2HB ASN 2 -3.184 13.299 -3.996 13 2HB ASN 2 1HB ASN 2 -3.222 13.643 -5.724 14 1HD2 ASN 2 1HD2 ASN 2 -0.914 13.010 -4.241 15 2HD2 ASN 2 2HD2 ASN 2 0.145 14.374 -4.292 16 H TYR 3 H TYR 3 -5.816 13.707 -5.965 17 HA TYR 3 HA TYR 3 -5.673 15.330 -8.348 18 1HB TYR 3 2HB TYR 3 -7.317 13.617 -9.208 19 2HB TYR 3 1HB TYR 3 -5.774 12.970 -8.664 20 HD1 TYR 3 1HD TYR 3 -5.815 11.071 -7.340 21 HD2 TYR 3 2HD TYR 3 -9.207 13.641 -7.313 22 HE1 TYR 3 1HE TYR 3 -7.002 9.481 -5.898 23 HE2 TYR 3 2HE TYR 3 -10.397 12.053 -5.870 24 HH TYR 3 HH TYR 3 -10.310 9.615 -5.343 25 H GLY 4 H GLY 4 -7.058 16.248 -5.705 26 1HA GLY 4 2HA GLY 4 -8.622 18.154 -6.069 27 2HA GLY 4 1HA GLY 4 -9.621 17.020 -6.964 28 H ASN 5 H ASN 5 -9.045 14.851 -5.003 29 HA ASN 5 HA ASN 5 -9.839 14.020 -3.030 30 1HB ASN 5 2HB ASN 5 -8.945 16.063 -1.911 31 2HB ASN 5 1HB ASN 5 -10.472 16.876 -2.236 32 1HD2 ASN 5 1HD2 ASN 5 -11.654 16.996 -0.478 33 2HD2 ASN 5 2HD2 ASN 5 -11.830 15.765 0.721 34 H GLY 6 H GLY 6 -11.362 13.461 -4.913 35 1HA GLY 6 2HA GLY 6 -13.642 12.724 -4.943 36 2HA GLY 6 1HA GLY 6 -14.082 14.167 -4.035 37 H VAL 7 H VAL 7 -13.327 12.867 -7.173 38 HA VAL 7 HA VAL 7 -14.665 15.131 -8.421 39 HB VAL 7 HB VAL 7 -12.294 15.782 -8.394 40 1HG1 VAL 7 1HG1 VAL 7 -10.591 14.544 -9.467 41 2HG1 VAL 7 2HG1 VAL 7 -11.754 13.419 -10.171 42 3HG1 VAL 7 3HG1 VAL 7 -11.456 13.405 -8.434 43 1HG2 VAL 7 1HG2 VAL 7 -13.614 15.171 -11.012 44 2HG2 VAL 7 2HG2 VAL 7 -12.033 15.952 -10.955 45 3HG2 VAL 7 3HG2 VAL 7 -13.424 16.721 -10.192 46 H SER 8 H SER 8 -13.027 12.011 -8.880 47 HA SER 8 HA SER 8 -15.190 10.777 -10.099 48 1HB SER 8 2HB SER 8 -14.478 12.518 -11.918 49 2HB SER 8 1HB SER 8 -13.179 11.374 -12.250 50 HG SER 8 HG SER 8 -15.643 11.271 -13.126 51 H CYS 9 H CYS 9 -14.865 8.632 -9.993 52 HA CYS 9 HA CYS 9 -12.097 7.720 -9.636 53 1HB CYS 9 2HB CYS 9 -13.164 5.655 -8.664 54 2HB CYS 9 1HB CYS 9 -13.461 7.133 -7.752 55 H SER 10 H SER 10 -15.113 6.990 -11.316 56 HA SER 10 HA SER 10 -15.577 5.924 -13.260 57 1HB SER 10 2HB SER 10 -13.813 7.522 -14.078 58 2HB SER 10 1HB SER 10 -12.643 6.212 -13.911 59 HG SER 10 HG SER 10 -13.272 5.859 -15.907 60 H LYS 11 H LYS 11 -14.021 4.463 -10.877 61 HA LYS 11 HA LYS 11 -12.977 2.165 -12.221 62 1HB LYS 11 2HB LYS 11 -13.415 2.828 -9.326 63 2HB LYS 11 1HB LYS 11 -12.863 1.240 -9.847 64 1HG LYS 11 2HG LYS 11 -10.945 2.289 -10.962 65 2HG LYS 11 1HG LYS 11 -11.480 3.861 -10.361 66 1HD LYS 11 2HD LYS 11 -11.401 2.804 -8.042 67 2HD LYS 11 1HD LYS 11 -10.487 1.498 -8.800 68 1HE LYS 11 2HE LYS 11 -8.750 2.812 -8.180 69 2HE LYS 11 1HE LYS 11 -9.094 3.559 -9.739 70 1HZ LYS 11 1HZ LYS 11 -10.227 4.520 -7.171 71 2HZ LYS 11 2HZ LYS 11 -10.296 5.291 -8.675 72 3HZ LYS 11 3HZ LYS 11 -8.817 5.145 -7.869 73 H THR 12 H THR 12 -16.027 2.962 -12.257 74 HA THR 12 HA THR 12 -17.997 1.843 -12.428 75 HB THR 12 HB THR 12 -16.597 -0.787 -12.485 76 HG1 THR 12 1HG THR 12 -16.385 1.152 -14.542 77 1HG2 THR 12 1HG2 THR 12 -18.648 0.457 -14.297 78 2HG2 THR 12 2HG2 THR 12 -18.970 -0.709 -13.014 79 3HG2 THR 12 3HG2 THR 12 -18.010 -1.185 -14.415 80 H LYS 13 H LYS 13 -16.470 1.983 -9.756 81 HA LYS 13 HA LYS 13 -18.457 0.613 -8.216 82 1HB LYS 13 2HB LYS 13 -16.500 -1.052 -8.823 83 2HB LYS 13 1HB LYS 13 -15.671 -0.213 -7.523 84 1HG LYS 13 2HG LYS 13 -17.261 -0.904 -5.928 85 2HG LYS 13 1HG LYS 13 -18.396 -1.421 -7.175 86 1HD LYS 13 2HD LYS 13 -17.486 -3.455 -7.246 87 2HD LYS 13 1HD LYS 13 -15.872 -2.782 -7.477 88 1HE LYS 13 2HE LYS 13 -15.535 -3.821 -5.483 89 2HE LYS 13 1HE LYS 13 -16.132 -2.274 -4.885 90 1HZ LYS 13 1HZ LYS 13 -18.420 -3.547 -5.151 91 2HZ LYS 13 2HZ LYS 13 -17.494 -3.647 -3.739 92 3HZ LYS 13 3HZ LYS 13 -17.422 -4.887 -4.887 93 H CYS 14 H CYS 14 -15.398 2.359 -8.302 94 HA CYS 14 HA CYS 14 -14.643 4.143 -7.137 95 1HB CYS 14 2HB CYS 14 -17.409 4.459 -7.133 96 2HB CYS 14 1HB CYS 14 -16.940 4.665 -5.445 97 H SER 15 H SER 15 -14.440 1.431 -6.177 98 HA SER 15 HA SER 15 -13.313 1.911 -3.641 99 1HB SER 15 2HB SER 15 -14.853 0.385 -2.336 100 2HB SER 15 1HB SER 15 -15.540 1.953 -2.761 101 HG SER 15 HG SER 15 -16.993 0.239 -3.187 102 H VAL 16 H VAL 16 -11.887 0.321 -3.141 103 HA VAL 16 HA VAL 16 -12.187 -2.370 -4.064 104 HB VAL 16 HB VAL 16 -11.513 -1.352 -6.176 105 1HG1 VAL 16 1HG1 VAL 16 -10.148 0.449 -4.762 106 2HG1 VAL 16 2HG1 VAL 16 -9.815 0.109 -6.459 107 3HG1 VAL 16 3HG1 VAL 16 -8.820 -0.626 -5.202 108 1HG2 VAL 16 1HG2 VAL 16 -9.573 -2.743 -6.670 109 2HG2 VAL 16 2HG2 VAL 16 -10.729 -3.616 -5.665 110 3HG2 VAL 16 3HG2 VAL 16 -9.263 -2.946 -4.945 111 H ASN 17 H ASN 17 -11.394 -3.490 -2.412 112 HA ASN 17 HA ASN 17 -9.563 -2.368 -0.534 113 1HB ASN 17 2HB ASN 17 -10.426 -5.256 -0.807 114 2HB ASN 17 1HB ASN 17 -9.718 -4.499 0.619 115 1HD2 ASN 17 1HD2 ASN 17 -11.092 -3.906 2.123 116 2HD2 ASN 17 2HD2 ASN 17 -12.764 -3.536 1.893 117 H TRP 18 H TRP 18 -9.299 -4.533 -3.273 118 HA TRP 18 HA TRP 18 -6.832 -5.695 -2.852 119 1HB TRP 18 2HB TRP 18 -8.610 -5.631 -4.933 120 2HB TRP 18 1HB TRP 18 -7.244 -4.752 -5.613 121 HD1 TRP 18 HD TRP 18 -4.764 -6.175 -5.131 122 HE1 TRP 18 1HE TRP 18 -4.350 -8.676 -5.581 123 HE3 TRP 18 3HE TRP 18 -9.609 -7.804 -5.188 124 HZ2 TRP 18 2HZ TRP 18 -5.875 -11.025 -5.921 125 HZ3 TRP 18 3HZ TRP 18 -10.045 -10.192 -5.583 126 HH2 TRP 18 HH TRP 18 -8.216 -11.769 -5.943 127 H GLY 19 H GLY 19 -7.572 -2.397 -3.790 128 1HA GLY 19 2HA GLY 19 -5.071 -1.611 -4.774 129 2HA GLY 19 1HA GLY 19 -6.242 -0.540 -4.019 130 H GLN 20 H GLN 20 -6.307 -1.601 -1.449 131 HA GLN 20 HA GLN 20 -4.056 -0.361 -0.289 132 1HB GLN 20 2HB GLN 20 -6.516 -1.123 0.620 133 2HB GLN 20 1HB GLN 20 -5.482 -2.324 1.387 134 1HG GLN 20 2HG GLN 20 -4.353 -0.746 2.638 135 2HG GLN 20 1HG GLN 20 -4.779 0.574 1.547 136 1HE2 GLN 20 1HE2 GLN 20 -5.793 -1.389 4.209 137 2HE2 GLN 20 2HE2 GLN 20 -7.201 -0.476 4.620 138 H ALA 21 H ALA 21 -4.891 -3.755 -0.832 139 HA ALA 21 HA ALA 21 -2.694 -4.887 0.525 140 1HB ALA 21 1HB ALA 21 -3.222 -6.925 -0.658 141 2HB ALA 21 2HB ALA 21 -4.191 -6.031 -1.829 142 3HB ALA 21 3HB ALA 21 -4.717 -6.141 -0.149 143 H PHE 22 H PHE 22 -3.179 -4.208 -2.939 144 HA PHE 22 HA PHE 22 -0.704 -5.110 -3.833 145 1HB PHE 22 2HB PHE 22 -2.597 -4.471 -5.332 146 2HB PHE 22 1HB PHE 22 -2.236 -2.775 -5.004 147 HD1 PHE 22 1HD PHE 22 -0.998 -1.708 -6.571 148 HD2 PHE 22 2HD PHE 22 -0.374 -5.850 -5.916 149 HE1 PHE 22 1HE PHE 22 0.812 -1.691 -8.217 150 HE2 PHE 22 2HE PHE 22 1.426 -5.852 -7.562 151 HZ PHE 22 HZ PHE 22 2.026 -3.769 -8.735 152 H GLN 23 H GLN 23 -1.510 -2.118 -2.233 153 HA GLN 23 HA GLN 23 0.804 -0.721 -3.089 154 1HB GLN 23 2HB GLN 23 -1.412 0.208 -2.071 155 2HB GLN 23 1HB GLN 23 -0.655 -0.109 -0.518 156 1HG GLN 23 2HG GLN 23 0.968 1.510 -0.829 157 2HG GLN 23 1HG GLN 23 0.772 1.515 -2.582 158 1HE2 GLN 23 1HE2 GLN 23 0.397 3.656 -2.842 159 2HE2 GLN 23 2HE2 GLN 23 -0.989 4.480 -2.220 160 H GLU 24 H GLU 24 0.033 -2.517 -0.106 161 HA GLU 24 HA GLU 24 2.617 -2.064 1.054 162 1HB GLU 24 2HB GLU 24 0.270 -2.866 2.088 163 2HB GLU 24 1HB GLU 24 1.017 -4.440 1.858 164 1HG GLU 24 2HG GLU 24 2.309 -4.177 3.636 165 2HG GLU 24 1HG GLU 24 2.856 -2.595 3.083 166 H ARG 25 H ARG 25 1.086 -4.800 -0.599 167 HA ARG 25 HA ARG 25 3.174 -6.634 -0.498 168 1HB ARG 25 2HB ARG 25 0.665 -6.594 -1.577 169 2HB ARG 25 1HB ARG 25 1.652 -6.546 -3.030 170 1HG ARG 25 2HG ARG 25 2.893 -8.521 -1.665 171 2HG ARG 25 1HG ARG 25 1.232 -8.727 -1.102 172 1HD ARG 25 2HD ARG 25 0.433 -8.943 -3.355 173 2HD ARG 25 1HD ARG 25 2.017 -8.528 -4.006 174 HE ARG 25 HE ARG 25 1.160 -11.090 -3.025 175 1HH1 ARG 25 1HH1 ARG 25 3.919 -9.043 -3.646 176 2HH1 ARG 25 2HH1 ARG 25 5.029 -10.367 -3.770 177 1HH2 ARG 25 1HH2 ARG 25 2.620 -12.831 -3.196 178 2HH2 ARG 25 2HH2 ARG 25 4.293 -12.514 -3.516 179 H TYR 26 H TYR 26 2.329 -4.497 -3.179 180 HA TYR 26 HA TYR 26 4.542 -5.068 -4.777 181 1HB TYR 26 2HB TYR 26 3.433 -3.850 -6.240 182 2HB TYR 26 1HB TYR 26 2.182 -3.844 -5.028 183 HD1 TYR 26 1HD TYR 26 3.430 -1.908 -7.419 184 HD2 TYR 26 2HD TYR 26 2.840 -1.778 -3.230 185 HE1 TYR 26 1HE TYR 26 3.251 0.532 -7.529 186 HE2 TYR 26 2HE TYR 26 2.679 0.657 -3.305 187 HH TYR 26 HH TYR 26 2.004 2.375 -5.794 188 H THR 27 H THR 27 4.175 -2.663 -2.256 189 HA THR 27 HA THR 27 6.519 -1.198 -2.926 190 HB THR 27 HB THR 27 6.453 -0.672 -0.353 191 HG1 THR 27 1HG THR 27 3.787 -1.505 -0.751 192 1HG2 THR 27 1HG2 THR 27 5.902 0.950 -2.051 193 2HG2 THR 27 2HG2 THR 27 4.769 1.041 -0.702 194 3HG2 THR 27 3HG2 THR 27 4.286 0.259 -2.207 195 H ALA 28 H ALA 28 5.848 -3.884 -0.726 196 HA ALA 28 HA ALA 28 8.326 -4.185 0.450 197 1HB ALA 28 1HB ALA 28 7.800 -6.602 0.619 198 2HB ALA 28 2HB ALA 28 6.445 -6.351 -0.480 199 3HB ALA 28 3HB ALA 28 6.455 -5.568 1.099 200 H GLY 29 H GLY 29 7.248 -5.441 -2.690 201 1HA GLY 29 2HA GLY 29 9.738 -6.685 -3.320 202 2HA GLY 29 1HA GLY 29 8.421 -6.368 -4.438 203 H ILE 30 H ILE 30 8.198 -3.712 -4.592 204 HA ILE 30 HA ILE 30 10.441 -2.980 -6.154 205 HB ILE 30 HB ILE 30 8.120 -2.149 -6.544 206 1HG1 ILE 30 2HG1 ILE 30 8.885 0.267 -6.998 207 2HG1 ILE 30 1HG1 ILE 30 10.429 -0.230 -6.312 208 1HG2 ILE 30 1HG2 ILE 30 7.756 -1.617 -4.094 209 2HG2 ILE 30 2HG2 ILE 30 7.147 -0.450 -5.267 210 3HG2 ILE 30 3HG2 ILE 30 8.648 -0.128 -4.396 211 1HD1 ILE 30 1HD1 ILE 30 10.193 -2.173 -8.072 212 2HD1 ILE 30 2HD1 ILE 30 10.832 -0.590 -8.518 213 3HD1 ILE 30 3HD1 ILE 30 9.154 -0.997 -8.875 214 H ASN 31 H ASN 31 9.306 -1.763 -2.971 215 HA ASN 31 HA ASN 31 11.267 0.145 -2.558 216 1HB ASN 31 2HB ASN 31 9.226 -0.573 -1.090 217 2HB ASN 31 1HB ASN 31 10.398 -1.613 -0.288 218 1HD2 ASN 31 1HD2 ASN 31 8.858 1.001 0.319 219 2HD2 ASN 31 2HD2 ASN 31 10.068 1.999 1.042 220 H SER 32 H SER 32 11.421 -3.354 -2.024 221 HA SER 32 HA SER 32 13.919 -3.419 -0.744 222 1HB SER 32 2HB SER 32 12.554 -5.478 -2.491 223 2HB SER 32 1HB SER 32 14.018 -5.797 -1.561 224 HG SER 32 HG SER 32 12.423 -6.402 -0.222 225 H PHE 33 H PHE 33 13.053 -3.570 -4.172 226 HA PHE 33 HA PHE 33 15.576 -4.049 -5.257 227 1HB PHE 33 2HB PHE 33 14.219 -4.074 -7.059 228 2HB PHE 33 1HB PHE 33 12.976 -3.164 -6.210 229 HD1 PHE 33 1HD PHE 33 15.444 -3.082 -8.786 230 HD2 PHE 33 2HD PHE 33 13.222 -0.624 -6.120 231 HE1 PHE 33 1HE PHE 33 15.936 -1.124 -10.188 232 HE2 PHE 33 2HE PHE 33 13.704 1.339 -7.517 233 HZ PHE 33 HZ PHE 33 15.064 1.091 -9.558 234 H VAL 34 H VAL 34 14.120 -1.093 -4.076 235 HA VAL 34 HA VAL 34 16.008 0.708 -5.188 236 HB VAL 34 HB VAL 34 14.471 1.254 -2.670 237 1HG1 VAL 34 1HG1 VAL 34 14.352 3.520 -3.810 238 2HG1 VAL 34 2HG1 VAL 34 15.555 2.892 -4.937 239 3HG1 VAL 34 3HG1 VAL 34 15.931 3.005 -3.217 240 1HG2 VAL 34 1HG2 VAL 34 13.447 1.161 -5.497 241 2HG2 VAL 34 2HG2 VAL 34 12.645 2.067 -4.216 242 3HG2 VAL 34 3HG2 VAL 34 12.816 0.317 -4.084 243 H SER 35 H SER 35 15.574 -0.318 -1.826 244 HA SER 35 HA SER 35 17.829 0.789 -0.723 245 1HB SER 35 2HB SER 35 16.900 -1.983 0.003 246 2HB SER 35 1HB SER 35 17.635 -0.771 1.051 247 HG SER 35 HG SER 35 15.193 -1.124 1.013 248 H GLY 36 H GLY 36 17.616 -2.552 -1.967 249 1HA GLY 36 2HA GLY 36 20.320 -3.201 -1.701 250 2HA GLY 36 1HA GLY 36 19.220 -3.940 -2.857 251 H VAL 37 H VAL 37 18.622 -1.942 -4.560 252 HA VAL 37 HA VAL 37 20.954 -1.776 -6.177 253 HB VAL 37 HB VAL 37 18.274 -0.398 -6.430 254 1HG1 VAL 37 1HG1 VAL 37 20.665 -0.405 -8.237 255 2HG1 VAL 37 2HG1 VAL 37 19.666 0.953 -7.720 256 3HG1 VAL 37 3HG1 VAL 37 19.034 -0.213 -8.883 257 1HG2 VAL 37 1HG2 VAL 37 18.681 -3.011 -6.616 258 2HG2 VAL 37 2HG2 VAL 37 19.176 -2.563 -8.248 259 3HG2 VAL 37 3HG2 VAL 37 17.556 -2.163 -7.678 260 H ALA 38 H ALA 38 19.766 0.165 -3.620 261 HA ALA 38 HA ALA 38 20.954 2.634 -4.505 262 1HB ALA 38 1HB ALA 38 19.014 2.778 -3.120 263 2HB ALA 38 2HB ALA 38 20.381 3.408 -2.203 264 3HB ALA 38 3HB ALA 38 19.768 1.788 -1.871 265 H SER 39 H SER 39 21.947 -0.132 -2.667 266 HA SER 39 HA SER 39 24.079 1.025 -1.232 267 1HB SER 39 2HB SER 39 22.955 -1.339 -1.037 268 2HB SER 39 1HB SER 39 24.196 -1.809 -2.197 269 HG SER 39 HG SER 39 25.641 -1.699 -0.674 270 H GLY 40 H GLY 40 23.779 -0.099 -4.521 271 1HA GLY 40 2HA GLY 40 26.671 0.277 -4.950 272 2HA GLY 40 1HA GLY 40 25.579 -0.582 -6.023 273 H ALA 41 H ALA 41 23.514 1.355 -6.137 274 HA ALA 41 HA ALA 41 24.813 3.748 -7.230 275 1HB ALA 41 1HB ALA 41 22.983 3.342 -9.168 276 2HB ALA 41 2HB ALA 41 23.416 1.674 -8.793 277 3HB ALA 41 3HB ALA 41 24.664 2.820 -9.282 278 H GLY 42 H GLY 42 21.510 2.475 -7.562 279 1HA GLY 42 2HA GLY 42 19.545 3.175 -6.554 280 2HA GLY 42 1HA GLY 42 20.479 4.263 -5.542 281 H SER 43 H SER 43 20.758 4.270 -9.025 282 HA SER 43 HA SER 43 18.893 6.448 -9.364 283 1HB SER 43 2HB SER 43 21.100 7.450 -8.494 284 2HB SER 43 1HB SER 43 21.762 7.028 -10.074 285 HG SER 43 HG SER 43 20.632 9.214 -9.598 286 H ILE 44 H ILE 44 19.039 3.854 -10.445 287 HA ILE 44 HA ILE 44 19.675 4.413 -13.281 288 HB ILE 44 HB ILE 44 19.900 1.961 -13.571 289 1HG1 ILE 44 2HG1 ILE 44 20.003 1.776 -10.564 290 2HG1 ILE 44 1HG1 ILE 44 18.521 1.469 -11.463 291 1HG2 ILE 44 1HG2 ILE 44 22.117 1.897 -12.911 292 2HG2 ILE 44 2HG2 ILE 44 21.806 2.789 -11.423 293 3HG2 ILE 44 3HG2 ILE 44 21.789 3.629 -12.973 294 1HD1 ILE 44 1HD1 ILE 44 20.421 -0.387 -10.820 295 2HD1 ILE 44 2HD1 ILE 44 20.809 0.000 -12.495 296 3HD1 ILE 44 3HD1 ILE 44 19.192 -0.562 -12.073 297 H GLY 45 H GLY 45 17.181 5.000 -11.839 298 1HA GLY 45 2HA GLY 45 15.339 3.143 -13.230 299 2HA GLY 45 1HA GLY 45 14.937 4.040 -11.774 300 H ARG 46 H ARG 46 16.581 5.284 -14.644 301 HA ARG 46 HA ARG 46 14.257 7.044 -15.103 302 1HB ARG 46 2HB ARG 46 17.148 7.615 -14.915 303 2HB ARG 46 1HB ARG 46 16.319 8.398 -16.254 304 1HG ARG 46 2HG ARG 46 14.732 9.399 -14.700 305 2HG ARG 46 1HG ARG 46 15.537 8.595 -13.352 306 1HD ARG 46 2HD ARG 46 16.959 10.292 -13.194 307 2HD ARG 46 1HD ARG 46 17.515 9.979 -14.837 308 HE ARG 46 HE ARG 46 16.423 11.868 -15.470 309 1HH1 ARG 46 1HH1 ARG 46 14.879 10.653 -12.584 310 2HH1 ARG 46 2HH1 ARG 46 13.762 11.972 -12.477 311 1HH2 ARG 46 1HH2 ARG 46 14.955 13.604 -15.328 312 2HH2 ARG 46 2HH2 ARG 46 13.805 13.647 -14.034 313 H ARG 47 H ARG 47 16.910 5.255 -16.596 314 HA ARG 47 HA ARG 47 15.277 4.778 -18.938 315 1HB ARG 47 2HB ARG 47 17.111 5.505 -20.487 316 2HB ARG 47 1HB ARG 47 16.297 6.816 -19.645 317 1HG ARG 47 2HG ARG 47 18.339 6.333 -17.944 318 2HG ARG 47 1HG ARG 47 19.085 5.902 -19.484 319 1HD ARG 47 2HD ARG 47 18.429 8.082 -20.399 320 2HD ARG 47 1HD ARG 47 17.709 8.511 -18.847 321 HE ARG 47 HE ARG 47 19.800 8.990 -18.059 322 1HH1 ARG 47 1HH1 ARG 47 20.115 7.060 -20.950 323 2HH1 ARG 47 2HH1 ARG 47 21.835 7.240 -21.032 324 1HH2 ARG 47 1HH2 ARG 47 22.063 9.228 -18.167 325 2HH2 ARG 47 2HH2 ARG 47 22.941 8.470 -19.453 326 HA PRO 48 HA PRO 48 17.665 1.046 -17.982 327 1HB PRO 48 2HB PRO 48 16.016 -0.683 -19.241 328 2HB PRO 48 1HB PRO 48 15.653 -0.027 -17.639 329 1HG PRO 48 2HG PRO 48 14.614 0.823 -20.315 330 2HG PRO 48 1HG PRO 48 13.735 0.616 -18.789 331 1HD PRO 48 2HD PRO 48 14.537 3.041 -19.720 332 2HD PRO 48 1HD PRO 48 14.390 2.671 -17.990 Start of MODEL 20 1 H VAL 1 H VAL 1 9.383 12.136 -6.310 2 HA VAL 1 HA VAL 1 7.055 11.275 -6.429 3 HB VAL 1 HB VAL 1 7.528 14.221 -6.981 4 1HG1 VAL 1 1HG1 VAL 1 4.935 13.227 -5.849 5 2HG1 VAL 1 2HG1 VAL 1 5.270 14.680 -6.820 6 3HG1 VAL 1 3HG1 VAL 1 5.171 13.086 -7.607 7 1HG2 VAL 1 1HG2 VAL 1 6.493 13.969 -4.469 8 2HG2 VAL 1 2HG2 VAL 1 7.336 12.409 -4.624 9 3HG2 VAL 1 3HG2 VAL 1 8.237 13.932 -4.823 10 H ASN 2 H ASN 2 4.958 12.132 -7.768 11 HA ASN 2 HA ASN 2 5.332 12.310 -10.578 12 1HB ASN 2 2HB ASN 2 5.768 9.923 -10.308 13 2HB ASN 2 1HB ASN 2 4.227 9.720 -9.480 14 1HD2 ASN 2 1HD2 ASN 2 3.544 8.234 -11.035 15 2HD2 ASN 2 2HD2 ASN 2 3.045 8.732 -12.611 16 H TYR 3 H TYR 3 3.552 12.722 -7.808 17 HA TYR 3 HA TYR 3 1.341 13.913 -9.220 18 1HB TYR 3 2HB TYR 3 -0.325 12.529 -7.808 19 2HB TYR 3 1HB TYR 3 0.394 11.733 -9.204 20 HD1 TYR 3 1HD TYR 3 1.187 12.227 -5.577 21 HD2 TYR 3 2HD TYR 3 1.077 9.553 -8.880 22 HE1 TYR 3 1HE TYR 3 1.966 10.408 -4.122 23 HE2 TYR 3 2HE TYR 3 1.855 7.728 -7.434 24 HH TYR 3 HH TYR 3 3.311 7.735 -5.089 25 H GLY 4 H GLY 4 -0.363 14.593 -7.324 26 1HA GLY 4 2HA GLY 4 0.869 15.106 -4.775 27 2HA GLY 4 1HA GLY 4 0.853 16.526 -5.812 28 H ASN 5 H ASN 5 -1.540 16.591 -6.978 29 HA ASN 5 HA ASN 5 -3.687 15.941 -5.182 30 1HB ASN 5 2HB ASN 5 -2.781 18.816 -5.456 31 2HB ASN 5 1HB ASN 5 -4.366 18.349 -4.847 32 1HD2 ASN 5 1HD2 ASN 5 -4.436 17.048 -2.913 33 2HD2 ASN 5 2HD2 ASN 5 -3.184 17.206 -1.732 34 H GLY 6 H GLY 6 -3.758 14.999 -7.503 35 1HA GLY 6 2HA GLY 6 -5.786 16.521 -8.933 36 2HA GLY 6 1HA GLY 6 -4.311 16.192 -9.834 37 H VAL 7 H VAL 7 -3.802 13.608 -8.715 38 HA VAL 7 HA VAL 7 -5.720 12.070 -10.271 39 HB VAL 7 HB VAL 7 -3.317 11.638 -10.554 40 1HG1 VAL 7 1HG1 VAL 7 -3.056 11.994 -7.908 41 2HG1 VAL 7 2HG1 VAL 7 -1.875 11.132 -8.895 42 3HG1 VAL 7 3HG1 VAL 7 -3.078 10.232 -7.972 43 1HG2 VAL 7 1HG2 VAL 7 -5.175 9.858 -10.735 44 2HG2 VAL 7 2HG2 VAL 7 -4.466 9.197 -9.262 45 3HG2 VAL 7 3HG2 VAL 7 -3.490 9.333 -10.724 46 H SER 8 H SER 8 -7.116 10.554 -9.442 47 HA SER 8 HA SER 8 -7.768 10.807 -6.644 48 1HB SER 8 2HB SER 8 -9.455 10.636 -8.537 49 2HB SER 8 1HB SER 8 -9.036 8.925 -8.636 50 HG SER 8 HG SER 8 -10.853 9.848 -7.142 51 H CYS 9 H CYS 9 -5.559 9.884 -6.091 52 HA CYS 9 HA CYS 9 -5.900 7.260 -5.094 53 1HB CYS 9 2HB CYS 9 -5.007 7.321 -7.742 54 2HB CYS 9 1HB CYS 9 -3.555 7.034 -6.791 55 H SER 10 H SER 10 -5.174 7.931 -3.135 56 HA SER 10 HA SER 10 -2.798 9.528 -2.898 57 1HB SER 10 2HB SER 10 -3.167 9.247 -0.437 58 2HB SER 10 1HB SER 10 -4.570 9.894 -1.285 59 HG SER 10 HG SER 10 -5.557 8.302 -0.320 60 H LYS 11 H LYS 11 -3.064 6.956 -0.591 61 HA LYS 11 HA LYS 11 -1.327 5.149 -1.946 62 1HB LYS 11 2HB LYS 11 0.582 5.360 -0.372 63 2HB LYS 11 1HB LYS 11 0.369 6.757 -1.416 64 1HG LYS 11 2HG LYS 11 -1.063 7.560 0.707 65 2HG LYS 11 1HG LYS 11 0.110 6.513 1.507 66 1HD LYS 11 2HD LYS 11 1.104 8.643 1.503 67 2HD LYS 11 1HD LYS 11 1.891 7.772 0.185 68 1HE LYS 11 2HE LYS 11 0.858 9.019 -1.439 69 2HE LYS 11 1HE LYS 11 -0.538 9.383 -0.424 70 1HZ LYS 11 1HZ LYS 11 2.072 10.711 -0.546 71 2HZ LYS 11 2HZ LYS 11 1.253 10.693 0.935 72 3HZ LYS 11 3HZ LYS 11 0.526 11.386 -0.426 73 H THR 12 H THR 12 -3.843 4.932 -0.650 74 HA THR 12 HA THR 12 -3.176 2.808 1.198 75 HB THR 12 HB THR 12 -5.301 4.451 2.344 76 HG1 THR 12 1HG THR 12 -4.261 6.248 2.567 77 1HG2 THR 12 1HG2 THR 12 -4.555 2.857 3.804 78 2HG2 THR 12 2HG2 THR 12 -3.623 4.263 4.322 79 3HG2 THR 12 3HG2 THR 12 -2.873 3.032 3.305 80 H LYS 13 H LYS 13 -6.227 4.577 0.717 81 HA LYS 13 HA LYS 13 -7.590 2.099 0.193 82 1HB LYS 13 2HB LYS 13 -8.695 4.904 0.055 83 2HB LYS 13 1HB LYS 13 -9.618 3.412 0.180 84 1HG LYS 13 2HG LYS 13 -8.334 3.065 2.390 85 2HG LYS 13 1HG LYS 13 -7.971 4.788 2.262 86 1HD LYS 13 2HD LYS 13 -10.789 4.069 1.823 87 2HD LYS 13 1HD LYS 13 -10.185 3.771 3.455 88 1HE LYS 13 2HE LYS 13 -9.946 6.387 1.973 89 2HE LYS 13 1HE LYS 13 -11.180 6.020 3.177 90 1HZ LYS 13 1HZ LYS 13 -9.210 5.522 4.699 91 2HZ LYS 13 2HZ LYS 13 -9.546 7.143 4.357 92 3HZ LYS 13 3HZ LYS 13 -8.272 6.360 3.567 93 H CYS 14 H CYS 14 -7.280 5.142 -1.653 94 HA CYS 14 HA CYS 14 -7.385 5.562 -3.883 95 1HB CYS 14 2HB CYS 14 -6.010 2.958 -3.671 96 2HB CYS 14 1HB CYS 14 -6.677 3.339 -5.253 97 H SER 15 H SER 15 -8.406 4.772 -6.017 98 HA SER 15 HA SER 15 -11.105 3.968 -5.398 99 1HB SER 15 2HB SER 15 -10.587 5.787 -7.034 100 2HB SER 15 1HB SER 15 -9.886 4.571 -8.103 101 HG SER 15 HG SER 15 -11.821 3.979 -8.676 102 H VAL 16 H VAL 16 -8.258 2.540 -6.751 103 HA VAL 16 HA VAL 16 -9.557 0.302 -7.945 104 HB VAL 16 HB VAL 16 -7.211 -0.645 -8.039 105 1HG1 VAL 16 1HG1 VAL 16 -6.627 0.656 -9.913 106 2HG1 VAL 16 2HG1 VAL 16 -7.404 2.097 -9.257 107 3HG1 VAL 16 3HG1 VAL 16 -8.386 0.744 -9.819 108 1HG2 VAL 16 1HG2 VAL 16 -5.461 0.369 -7.077 109 2HG2 VAL 16 2HG2 VAL 16 -6.664 1.214 -6.103 110 3HG2 VAL 16 3HG2 VAL 16 -6.010 1.975 -7.554 111 H ASN 17 H ASN 17 -10.624 -0.994 -6.671 112 HA ASN 17 HA ASN 17 -10.497 -1.467 -4.013 113 1HB ASN 17 2HB ASN 17 -11.014 -3.593 -6.099 114 2HB ASN 17 1HB ASN 17 -11.522 -3.661 -4.412 115 1HD2 ASN 17 1HD2 ASN 17 -12.908 -1.815 -3.699 116 2HD2 ASN 17 2HD2 ASN 17 -14.105 -1.248 -4.807 117 H TRP 18 H TRP 18 -8.348 -2.821 -6.425 118 HA TRP 18 HA TRP 18 -7.003 -4.545 -4.472 119 1HB TRP 18 2HB TRP 18 -7.391 -4.670 -7.244 120 2HB TRP 18 1HB TRP 18 -5.680 -4.284 -7.059 121 HD1 TRP 18 HD TRP 18 -4.100 -6.184 -6.231 122 HE1 TRP 18 1HE TRP 18 -4.437 -8.650 -5.587 123 HE3 TRP 18 3HE TRP 18 -9.207 -6.319 -6.187 124 HZ2 TRP 18 2HZ TRP 18 -6.582 -10.420 -5.125 125 HZ3 TRP 18 3HZ TRP 18 -10.324 -8.439 -5.632 126 HH2 TRP 18 HH TRP 18 -9.038 -10.447 -5.113 127 H GLY 19 H GLY 19 -6.930 -1.719 -3.958 128 1HA GLY 19 2HA GLY 19 -4.251 -0.829 -4.704 129 2HA GLY 19 1HA GLY 19 -5.450 0.095 -3.811 130 H GLN 20 H GLN 20 -6.040 -1.720 -1.771 131 HA GLN 20 HA GLN 20 -3.970 -1.167 0.058 132 1HB GLN 20 2HB GLN 20 -6.189 -3.208 0.320 133 2HB GLN 20 1HB GLN 20 -5.246 -2.523 1.637 134 1HG GLN 20 2HG GLN 20 -6.187 -0.262 0.565 135 2HG GLN 20 1HG GLN 20 -7.483 -1.363 0.097 136 1HE2 GLN 20 1HE2 GLN 20 -5.465 -0.731 2.953 137 2HE2 GLN 20 2HE2 GLN 20 -6.764 -0.764 4.090 138 H ALA 21 H ALA 21 -4.874 -4.108 -1.677 139 HA ALA 21 HA ALA 21 -2.891 -5.780 -0.506 140 1HB ALA 21 1HB ALA 21 -5.089 -6.233 -1.993 141 2HB ALA 21 2HB ALA 21 -3.794 -7.413 -1.785 142 3HB ALA 21 3HB ALA 21 -3.842 -6.398 -3.227 143 H PHE 22 H PHE 22 -3.096 -4.320 -3.751 144 HA PHE 22 HA PHE 22 -0.559 -5.056 -4.619 145 1HB PHE 22 2HB PHE 22 -2.338 -4.072 -6.079 146 2HB PHE 22 1HB PHE 22 -1.973 -2.489 -5.383 147 HD1 PHE 22 1HD PHE 22 -0.683 -1.161 -6.653 148 HD2 PHE 22 2HD PHE 22 -0.058 -5.351 -6.809 149 HE1 PHE 22 1HE PHE 22 1.156 -0.820 -8.218 150 HE2 PHE 22 2HE PHE 22 1.784 -5.021 -8.381 151 HZ PHE 22 HZ PHE 22 2.397 -2.749 -9.107 152 H GLN 23 H GLN 23 -1.400 -2.546 -2.356 153 HA GLN 23 HA GLN 23 1.012 -1.043 -2.871 154 1HB GLN 23 2HB GLN 23 -1.057 0.054 -2.042 155 2HB GLN 23 1HB GLN 23 -0.890 -0.820 -0.525 156 1HG GLN 23 2HG GLN 23 1.432 0.777 -1.421 157 2HG GLN 23 1HG GLN 23 0.009 1.660 -0.872 158 1HE2 GLN 23 1HE2 GLN 23 1.949 2.211 0.649 159 2HE2 GLN 23 2HE2 GLN 23 1.985 1.305 2.120 160 H GLU 24 H GLU 24 -0.166 -3.150 -0.283 161 HA GLU 24 HA GLU 24 2.185 -3.063 1.279 162 1HB GLU 24 2HB GLU 24 -0.283 -4.003 1.721 163 2HB GLU 24 1HB GLU 24 0.488 -5.513 1.263 164 1HG GLU 24 2HG GLU 24 1.588 -5.674 3.197 165 2HG GLU 24 1HG GLU 24 2.004 -3.961 3.210 166 H ARG 25 H ARG 25 1.171 -4.901 -1.474 167 HA ARG 25 HA ARG 25 3.217 -6.884 -1.349 168 1HB ARG 25 2HB ARG 25 0.832 -6.659 -2.630 169 2HB ARG 25 1HB ARG 25 1.933 -6.262 -3.941 170 1HG ARG 25 2HG ARG 25 2.635 -8.635 -2.347 171 2HG ARG 25 1HG ARG 25 1.172 -8.758 -3.326 172 1HD ARG 25 2HD ARG 25 3.132 -7.542 -4.946 173 2HD ARG 25 1HD ARG 25 3.917 -8.899 -4.140 174 HE ARG 25 HE ARG 25 1.954 -9.032 -6.207 175 1HH1 ARG 25 1HH1 ARG 25 3.181 -10.698 -3.396 176 2HH1 ARG 25 2HH1 ARG 25 2.658 -12.257 -3.937 177 1HH2 ARG 25 1HH2 ARG 25 1.268 -11.083 -6.921 178 2HH2 ARG 25 2HH2 ARG 25 1.574 -12.476 -5.938 179 H TYR 26 H TYR 26 2.660 -4.039 -3.428 180 HA TYR 26 HA TYR 26 5.193 -4.317 -4.743 181 1HB TYR 26 2HB TYR 26 4.353 -2.871 -6.239 182 2HB TYR 26 1HB TYR 26 2.853 -3.261 -5.426 183 HD1 TYR 26 1HD TYR 26 1.586 -1.652 -4.469 184 HD2 TYR 26 2HD TYR 26 5.526 -0.685 -5.565 185 HE1 TYR 26 1HE TYR 26 1.051 0.703 -4.110 186 HE2 TYR 26 2HE TYR 26 5.050 1.683 -5.169 187 HH TYR 26 HH TYR 26 2.717 2.855 -3.458 188 H THR 27 H THR 27 3.930 -1.730 -2.559 189 HA THR 27 HA THR 27 6.322 -0.304 -2.430 190 HB THR 27 HB THR 27 4.584 -0.505 -0.003 191 HG1 THR 27 1HG THR 27 3.619 1.315 -1.725 192 1HG2 THR 27 1HG2 THR 27 5.349 2.069 -1.240 193 2HG2 THR 27 2HG2 THR 27 6.627 1.122 -0.479 194 3HG2 THR 27 3HG2 THR 27 5.218 1.615 0.458 195 H ALA 28 H ALA 28 5.514 -3.336 -1.017 196 HA ALA 28 HA ALA 28 7.515 -3.237 1.040 197 1HB ALA 28 1HB ALA 28 5.756 -5.381 -0.091 198 2HB ALA 28 2HB ALA 28 5.818 -4.737 1.549 199 3HB ALA 28 3HB ALA 28 7.096 -5.807 0.974 200 H GLY 29 H GLY 29 7.252 -5.102 -1.995 201 1HA GLY 29 2HA GLY 29 9.971 -5.954 -1.939 202 2HA GLY 29 1HA GLY 29 8.876 -6.070 -3.310 203 H ILE 30 H ILE 30 8.269 -3.386 -3.701 204 HA ILE 30 HA ILE 30 10.362 -2.540 -5.325 205 HB ILE 30 HB ILE 30 8.107 -0.925 -4.124 206 1HG1 ILE 30 2HG1 ILE 30 7.422 -2.792 -5.579 207 2HG1 ILE 30 1HG1 ILE 30 7.063 -1.234 -6.315 208 1HG2 ILE 30 1HG2 ILE 30 9.945 -0.190 -6.400 209 2HG2 ILE 30 2HG2 ILE 30 9.941 0.549 -4.798 210 3HG2 ILE 30 3HG2 ILE 30 8.542 0.732 -5.857 211 1HD1 ILE 30 1HD1 ILE 30 9.447 -1.643 -7.404 212 2HD1 ILE 30 2HD1 ILE 30 7.956 -2.266 -8.109 213 3HD1 ILE 30 3HD1 ILE 30 8.979 -3.323 -7.135 214 H ASN 31 H ASN 31 9.434 -1.319 -2.087 215 HA ASN 31 HA ASN 31 11.372 0.621 -1.783 216 1HB ASN 31 2HB ASN 31 9.525 0.093 -0.149 217 2HB ASN 31 1HB ASN 31 10.508 -1.253 0.433 218 1HD2 ASN 31 1HD2 ASN 31 9.543 1.259 1.706 219 2HD2 ASN 31 2HD2 ASN 31 10.962 2.003 2.355 220 H SER 32 H SER 32 11.635 -2.819 -0.863 221 HA SER 32 HA SER 32 14.342 -2.670 -0.092 222 1HB SER 32 2HB SER 32 14.245 -5.227 -0.577 223 2HB SER 32 1HB SER 32 13.222 -4.569 0.701 224 HG SER 32 HG SER 32 11.478 -4.893 -0.498 225 H PHE 33 H PHE 33 12.799 -3.262 -3.192 226 HA PHE 33 HA PHE 33 14.982 -4.201 -4.648 227 1HB PHE 33 2HB PHE 33 13.335 -4.281 -6.168 228 2HB PHE 33 1HB PHE 33 12.336 -3.207 -5.200 229 HD1 PHE 33 1HD PHE 33 11.864 -1.029 -5.948 230 HD2 PHE 33 2HD PHE 33 15.001 -3.239 -7.776 231 HE1 PHE 33 1HE PHE 33 12.057 0.689 -7.679 232 HE2 PHE 33 2HE PHE 33 15.197 -1.517 -9.515 233 HZ PHE 33 HZ PHE 33 13.723 0.449 -9.469 234 H VAL 34 H VAL 34 14.039 -0.918 -3.798 235 HA VAL 34 HA VAL 34 15.905 0.474 -5.400 236 HB VAL 34 HB VAL 34 14.930 1.459 -2.742 237 1HG1 VAL 34 1HG1 VAL 34 15.379 3.547 -3.521 238 2HG1 VAL 34 2HG1 VAL 34 15.098 3.102 -5.205 239 3HG1 VAL 34 3HG1 VAL 34 16.599 2.632 -4.406 240 1HG2 VAL 34 1HG2 VAL 34 12.875 0.884 -3.511 241 2HG2 VAL 34 2HG2 VAL 34 13.382 0.890 -5.199 242 3HG2 VAL 34 3HG2 VAL 34 13.051 2.413 -4.375 243 H SER 35 H SER 35 16.004 -0.180 -1.924 244 HA SER 35 HA SER 35 18.587 0.735 -1.469 245 1HB SER 35 2HB SER 35 17.089 -1.511 -0.122 246 2HB SER 35 1HB SER 35 18.607 -0.842 0.477 247 HG SER 35 HG SER 35 16.327 0.758 -0.017 248 H GLY 36 H GLY 36 17.503 -2.481 -2.490 249 1HA GLY 36 2HA GLY 36 19.974 -3.795 -2.392 250 2HA GLY 36 1HA GLY 36 18.636 -4.232 -3.446 251 H VAL 37 H VAL 37 18.434 -2.047 -5.081 252 HA VAL 37 HA VAL 37 20.665 -2.463 -6.844 253 HB VAL 37 HB VAL 37 19.516 -0.955 -8.379 254 1HG1 VAL 37 1HG1 VAL 37 18.054 -2.534 -8.986 255 2HG1 VAL 37 2HG1 VAL 37 17.172 -2.441 -7.462 256 3HG1 VAL 37 3HG1 VAL 37 18.641 -3.415 -7.573 257 1HG2 VAL 37 1HG2 VAL 37 17.395 0.101 -7.797 258 2HG2 VAL 37 2HG2 VAL 37 18.696 0.682 -6.756 259 3HG2 VAL 37 3HG2 VAL 37 17.538 -0.501 -6.146 260 H ALA 38 H ALA 38 19.706 -0.071 -4.504 261 HA ALA 38 HA ALA 38 21.353 2.050 -5.464 262 1HB ALA 38 1HB ALA 38 20.742 3.202 -3.502 263 2HB ALA 38 2HB ALA 38 20.389 1.703 -2.641 264 3HB ALA 38 3HB ALA 38 19.336 2.236 -3.951 265 H SER 39 H SER 39 21.942 -0.755 -3.516 266 HA SER 39 HA SER 39 24.230 0.138 -2.126 267 1HB SER 39 2HB SER 39 23.419 -2.654 -2.970 268 2HB SER 39 1HB SER 39 24.734 -2.290 -1.852 269 HG SER 39 HG SER 39 22.801 -2.754 -0.740 270 H GLY 40 H GLY 40 23.766 -1.190 -5.338 271 1HA GLY 40 2HA GLY 40 25.903 -0.083 -6.580 272 2HA GLY 40 1HA GLY 40 26.595 -1.511 -5.825 273 H ALA 41 H ALA 41 23.551 -0.815 -7.552 274 HA ALA 41 HA ALA 41 23.336 -3.352 -8.718 275 1HB ALA 41 1HB ALA 41 21.479 -1.729 -8.521 276 2HB ALA 41 2HB ALA 41 21.641 -2.398 -10.145 277 3HB ALA 41 3HB ALA 41 22.221 -0.768 -9.802 278 H GLY 42 H GLY 42 25.046 -0.477 -9.759 279 1HA GLY 42 2HA GLY 42 25.482 -1.297 -12.444 280 2HA GLY 42 1HA GLY 42 26.369 -0.051 -11.587 281 H SER 43 H SER 43 26.906 -2.336 -9.511 282 HA SER 43 HA SER 43 29.522 -2.881 -10.311 283 1HB SER 43 2HB SER 43 27.797 -4.439 -8.372 284 2HB SER 43 1HB SER 43 29.549 -4.569 -8.509 285 HG SER 43 HG SER 43 28.345 -2.065 -8.054 286 H ILE 44 H ILE 44 26.759 -5.147 -10.276 287 HA ILE 44 HA ILE 44 27.985 -6.521 -12.572 288 HB ILE 44 HB ILE 44 28.624 -7.954 -10.827 289 1HG1 ILE 44 2HG1 ILE 44 27.425 -10.006 -11.222 290 2HG1 ILE 44 1HG1 ILE 44 26.001 -9.125 -11.760 291 1HG2 ILE 44 1HG2 ILE 44 26.830 -6.816 -9.253 292 2HG2 ILE 44 2HG2 ILE 44 27.539 -8.386 -8.884 293 3HG2 ILE 44 3HG2 ILE 44 25.940 -8.294 -9.620 294 1HD1 ILE 44 1HD1 ILE 44 28.189 -8.313 -13.365 295 2HD1 ILE 44 2HD1 ILE 44 26.746 -9.209 -13.837 296 3HD1 ILE 44 3HD1 ILE 44 28.182 -10.074 -13.288 297 H GLY 45 H GLY 45 25.017 -6.953 -10.595 298 1HA GLY 45 2HA GLY 45 22.823 -6.447 -11.262 299 2HA GLY 45 1HA GLY 45 23.399 -6.207 -12.905 300 H ARG 46 H ARG 46 24.795 -8.694 -13.107 301 HA ARG 46 HA ARG 46 24.478 -10.877 -13.670 302 1HB ARG 46 2HB ARG 46 23.334 -10.804 -11.283 303 2HB ARG 46 1HB ARG 46 21.875 -11.058 -12.228 304 1HG ARG 46 2HG ARG 46 22.524 -13.204 -11.669 305 2HG ARG 46 1HG ARG 46 23.169 -13.006 -13.300 306 1HD ARG 46 2HD ARG 46 24.947 -13.948 -12.135 307 2HD ARG 46 1HD ARG 46 25.319 -12.224 -12.122 308 HE ARG 46 HE ARG 46 23.886 -12.714 -9.818 309 1HH1 ARG 46 1HH1 ARG 46 26.894 -13.793 -11.219 310 2HH1 ARG 46 2HH1 ARG 46 27.650 -14.077 -9.687 311 1HH2 ARG 46 1HH2 ARG 46 24.877 -13.086 -7.803 312 2HH2 ARG 46 2HH2 ARG 46 26.505 -13.676 -7.746 313 H ARG 47 H ARG 47 21.169 -9.574 -13.439 314 HA ARG 47 HA ARG 47 19.456 -9.491 -14.924 315 1HB ARG 47 2HB ARG 47 21.542 -9.430 -17.104 316 2HB ARG 47 1HB ARG 47 19.908 -8.793 -17.166 317 1HG ARG 47 2HG ARG 47 22.066 -7.691 -15.378 318 2HG ARG 47 1HG ARG 47 21.696 -7.079 -16.982 319 1HD ARG 47 2HD ARG 47 19.237 -7.044 -15.888 320 2HD ARG 47 1HD ARG 47 20.222 -6.775 -14.448 321 HE ARG 47 HE ARG 47 20.666 -4.673 -15.211 322 1HH1 ARG 47 1HH1 ARG 47 19.576 -6.616 -17.897 323 2HH1 ARG 47 2HH1 ARG 47 19.605 -5.300 -19.023 324 1HH2 ARG 47 1HH2 ARG 47 20.715 -2.941 -16.695 325 2HH2 ARG 47 2HH2 ARG 47 20.253 -3.215 -18.342 326 HA PRO 48 HA PRO 48 19.932 -13.986 -16.001 327 1HB PRO 48 2HB PRO 48 17.881 -14.926 -14.530 328 2HB PRO 48 1HB PRO 48 19.482 -14.647 -13.834 329 1HG PRO 48 2HG PRO 48 17.033 -12.928 -13.706 330 2HG PRO 48 1HG PRO 48 18.187 -13.330 -12.420 331 1HD PRO 48 2HD PRO 48 18.239 -10.976 -13.801 332 2HD PRO 48 1HD PRO 48 19.688 -11.727 -13.097
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