NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7006 | 1jv8 | 5171 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1H ARG 1 14.413 -5.431 4.060 2 2H ARG 1 2H ARG 1 14.742 -4.653 5.533 3 3H ARG 1 3H ARG 1 14.998 -3.839 4.065 4 HA ARG 1 HA ARG 1 12.851 -3.364 5.457 5 1HB ARG 1 1HB ARG 1 11.914 -2.643 3.342 6 2HB ARG 1 2HB ARG 1 13.665 -2.526 3.206 7 1HG ARG 1 1HG ARG 1 13.783 -4.579 1.961 8 2HG ARG 1 2HG ARG 1 12.094 -4.951 2.302 9 1HD ARG 1 1HD ARG 1 11.857 -4.034 0.173 10 2HD ARG 1 2HD ARG 1 11.762 -2.541 1.127 11 HE ARG 1 HE ARG 1 13.825 -1.966 0.123 12 1HH1 ARG 1 1HH2 ARG 1 13.249 -5.304 -0.281 13 2HH1 ARG 1 2HH2 ARG 1 14.893 -5.694 -0.662 14 1HH2 ARG 1 1HH1 ARG 1 16.071 -2.488 -0.063 15 2HH2 ARG 1 2HH1 ARG 1 16.489 -4.100 -0.538 16 HA PRO 2 HA PRO 2 9.996 -6.698 5.743 17 1HB PRO 2 1HB PRO 2 7.611 -5.518 5.102 18 2HB PRO 2 2HB PRO 2 8.429 -5.285 6.658 19 1HG PRO 2 1HG PRO 2 8.416 -3.547 4.219 20 2HG PRO 2 2HG PRO 2 8.254 -3.085 5.923 21 1HD PRO 2 1HD PRO 2 10.575 -2.822 4.576 22 2HD PRO 2 2HD PRO 2 10.537 -3.249 6.302 23 H ASP 3 H ASP 3 8.435 -8.024 4.482 24 HA ASP 3 HA ASP 3 9.115 -7.933 1.588 25 1HB ASP 3 1HB ASP 3 9.386 -9.937 3.233 26 2HB ASP 3 2HB ASP 3 7.639 -10.113 3.062 27 H PHE 4 H PHE 4 6.455 -7.352 3.783 28 HA PHE 4 HA PHE 4 4.311 -7.952 1.944 29 1HB PHE 4 1HB PHE 4 2.957 -6.566 3.479 30 2HB PHE 4 2HB PHE 4 3.974 -7.701 4.355 31 HD1 PHE 4 1HD PHE 4 3.857 -4.119 3.200 32 HD2 PHE 4 2HD PHE 4 5.437 -6.965 6.017 33 HE1 PHE 4 1HE PHE 4 4.822 -2.280 4.537 34 HE2 PHE 4 2HE PHE 4 6.402 -5.106 7.341 35 HZ PHE 4 HZ PHE 4 6.086 -2.765 6.596 36 H CYS 5 H CYS 5 6.556 -5.327 2.141 37 HA CYS 5 HA CYS 5 4.923 -3.496 0.502 38 1HB CYS 5 1HB CYS 5 7.540 -3.536 1.926 39 2HB CYS 5 2HB CYS 5 7.403 -2.436 0.553 40 H LEU 6 H LEU 6 7.282 -6.013 0.082 41 HA LEU 6 HA LEU 6 8.196 -5.231 -2.570 42 1HB LEU 6 1HB LEU 6 8.152 -7.955 -1.227 43 2HB LEU 6 2HB LEU 6 9.242 -7.427 -2.508 44 HG LEU 6 HG LEU 6 9.107 -6.274 0.296 45 1HD1 LEU 6 1HD1 LEU 6 10.225 -8.634 -0.406 46 2HD1 LEU 6 2HD1 LEU 6 10.904 -7.587 0.839 47 3HD1 LEU 6 3HD1 LEU 6 11.558 -7.547 -0.797 48 1HD2 LEU 6 1HD2 LEU 6 11.472 -5.518 -1.042 49 2HD2 LEU 6 2HD2 LEU 6 10.116 -4.474 -0.620 50 3HD2 LEU 6 3HD2 LEU 6 10.170 -5.254 -2.199 51 H GLU 7 H GLU 7 5.474 -6.938 -1.235 52 HA GLU 7 HA GLU 7 4.668 -8.252 -3.723 53 1HB GLU 7 1HB GLU 7 4.121 -8.382 -0.966 54 2HB GLU 7 2HB GLU 7 2.611 -7.849 -1.704 55 1HG GLU 7 1HG GLU 7 3.501 -9.845 -3.421 56 2HG GLU 7 2HG GLU 7 3.925 -10.462 -1.824 57 HA PRO 8 HA PRO 8 2.338 -4.919 -5.390 58 1HB PRO 8 1HB PRO 8 0.165 -6.210 -6.448 59 2HB PRO 8 2HB PRO 8 1.787 -6.296 -7.164 60 1HG PRO 8 1HG PRO 8 0.343 -8.264 -5.457 61 2HG PRO 8 2HG PRO 8 1.423 -8.541 -6.831 62 1HD PRO 8 1HD PRO 8 2.149 -8.813 -4.188 63 2HD PRO 8 2HD PRO 8 3.289 -8.488 -5.512 64 HA PRO 9 HA PRO 9 -0.777 -3.676 -2.556 65 1HB PRO 9 1HB PRO 9 -2.528 -2.274 -4.138 66 2HB PRO 9 2HB PRO 9 -0.933 -1.657 -3.665 67 1HG PRO 9 1HG PRO 9 -1.807 -2.936 -6.217 68 2HG PRO 9 2HG PRO 9 -0.723 -1.559 -5.960 69 1HD PRO 9 1HD PRO 9 0.149 -4.088 -6.514 70 2HD PRO 9 2HD PRO 9 1.092 -2.916 -5.569 71 H TYR 10 H TYR 10 -3.261 -3.790 -2.184 72 HA TYR 10 HA TYR 10 -4.533 -6.019 -3.731 73 1HB TYR 10 1HB TYR 10 -3.265 -6.814 -1.682 74 2HB TYR 10 2HB TYR 10 -4.374 -5.850 -0.707 75 HD1 TYR 10 1HD TYR 10 -6.159 -7.009 0.214 76 HD2 TYR 10 2HD TYR 10 -4.601 -8.250 -3.591 77 HE1 TYR 10 1HE TYR 10 -7.832 -8.839 0.124 78 HE2 TYR 10 2HE TYR 10 -6.273 -10.078 -3.682 79 HH TYR 10 HH TYR 10 -8.828 -10.349 -1.271 80 H THR 11 H THR 11 -6.032 -4.511 -4.588 81 HA THR 11 HA THR 11 -7.477 -2.528 -3.203 82 HB THR 11 HB THR 11 -7.978 -4.354 -5.547 83 HG1 THR 11 1HG THR 11 -8.268 -1.671 -5.846 84 1HG2 THR 11 1HG2 THR 11 -10.032 -2.651 -5.838 85 2HG2 THR 11 2HG2 THR 11 -9.998 -2.726 -4.076 86 3HG2 THR 11 3HG2 THR 11 -10.215 -4.203 -5.017 87 H GLY 12 H GLY 12 -7.630 -5.996 -3.058 88 1HA GLY 12 1HA GLY 12 -8.860 -7.423 -1.650 89 2HA GLY 12 2HA GLY 12 -9.265 -5.997 -0.695 90 HA PRO 13 HA PRO 13 -13.071 -7.524 -2.860 91 1HB PRO 13 1HB PRO 13 -14.602 -7.710 -0.589 92 2HB PRO 13 2HB PRO 13 -13.588 -9.037 -1.188 93 1HG PRO 13 1HG PRO 13 -13.079 -7.077 1.001 94 2HG PRO 13 2HG PRO 13 -12.699 -8.805 0.923 95 1HD PRO 13 1HD PRO 13 -10.871 -6.805 0.507 96 2HD PRO 13 2HD PRO 13 -10.731 -8.437 -0.185 97 H CYS 14 H CYS 14 -15.460 -6.483 -1.617 98 HA CYS 14 HA CYS 14 -16.693 -4.479 -1.452 99 1HB CYS 14 1HB CYS 14 -13.987 -3.276 -0.783 100 2HB CYS 14 2HB CYS 14 -15.573 -2.693 -0.277 101 H LYS 15 H LYS 15 -16.182 -1.910 -2.227 102 HA LYS 15 HA LYS 15 -14.929 -2.042 -4.932 103 1HB LYS 15 1HB LYS 15 -17.179 -0.634 -5.485 104 2HB LYS 15 2HB LYS 15 -17.082 -2.381 -5.675 105 1HG LYS 15 1HG LYS 15 -17.960 -2.631 -3.337 106 2HG LYS 15 2HG LYS 15 -18.173 -0.881 -3.273 107 1HD LYS 15 1HD LYS 15 -20.294 -1.834 -3.904 108 2HD LYS 15 2HD LYS 15 -19.614 -1.084 -5.348 109 1HE LYS 15 1HE LYS 15 -18.679 -3.819 -5.125 110 2HE LYS 15 2HE LYS 15 -20.453 -3.768 -5.077 111 1HZ LYS 15 1HZ LYS 15 -19.961 -3.693 -7.341 112 2HZ LYS 15 2HZ LYS 15 -18.606 -2.689 -7.124 113 3HZ LYS 15 3HZ LYS 15 -20.174 -2.056 -6.954 114 H ALA 16 H ALA 16 -14.533 -0.653 -2.185 115 HA ALA 16 HA ALA 16 -15.061 2.116 -2.339 116 1HB ALA 16 1HB ALA 16 -13.456 2.252 -0.609 117 2HB ALA 16 2HB ALA 16 -12.483 0.950 -1.292 118 3HB ALA 16 3HB ALA 16 -14.018 0.584 -0.505 119 H ARG 17 H ARG 17 -13.353 3.837 -2.786 120 HA ARG 17 HA ARG 17 -11.437 3.076 -4.944 121 1HB ARG 17 1HB ARG 17 -13.908 4.709 -5.098 122 2HB ARG 17 2HB ARG 17 -12.497 5.411 -5.890 123 1HG ARG 17 1HG ARG 17 -12.196 3.410 -7.237 124 2HG ARG 17 2HG ARG 17 -13.474 2.575 -6.353 125 1HD ARG 17 1HD ARG 17 -14.894 4.707 -7.148 126 2HD ARG 17 2HD ARG 17 -13.689 4.696 -8.451 127 HE ARG 17 HE ARG 17 -15.816 2.821 -8.217 128 1HH1 ARG 17 1HH2 ARG 17 -14.212 2.919 -10.670 129 2HH1 ARG 17 2HH2 ARG 17 -13.329 1.429 -10.629 130 1HH2 ARG 17 1HH1 ARG 17 -13.896 0.882 -7.250 131 2HH2 ARG 17 2HH1 ARG 17 -13.147 0.276 -8.689 132 H ILE 18 H ILE 18 -10.174 3.520 -2.795 133 HA ILE 18 HA ILE 18 -9.731 6.454 -2.414 134 HB ILE 18 HB ILE 18 -9.174 3.987 -0.748 135 1HG1 ILE 18 1HG1 ILE 18 -10.645 6.161 0.485 136 2HG1 ILE 18 2HG1 ILE 18 -11.417 5.662 -1.021 137 1HG2 ILE 18 1HG2 ILE 18 -8.101 5.340 0.877 138 2HG2 ILE 18 2HG2 ILE 18 -8.634 6.833 0.103 139 3HG2 ILE 18 3HG2 ILE 18 -7.384 5.845 -0.654 140 1HD1 ILE 18 1HD1 ILE 18 -11.770 3.482 -0.265 141 2HD1 ILE 18 2HD1 ILE 18 -11.997 4.409 1.219 142 3HD1 ILE 18 3HD1 ILE 18 -10.470 3.578 0.922 143 H ILE 19 H ILE 19 -7.599 7.273 -2.549 144 HA ILE 19 HA ILE 19 -5.734 5.623 -4.166 145 HB ILE 19 HB ILE 19 -5.814 8.549 -3.357 146 1HG1 ILE 19 1HG1 ILE 19 -7.594 8.078 -4.893 147 2HG1 ILE 19 2HG1 ILE 19 -6.295 8.781 -5.858 148 1HG2 ILE 19 1HG2 ILE 19 -3.689 8.692 -4.078 149 2HG2 ILE 19 2HG2 ILE 19 -4.193 8.077 -5.651 150 3HG2 ILE 19 3HG2 ILE 19 -3.665 6.957 -4.395 151 1HD1 ILE 19 1HD1 ILE 19 -5.529 6.439 -6.387 152 2HD1 ILE 19 2HD1 ILE 19 -7.124 6.830 -7.030 153 3HD1 ILE 19 3HD1 ILE 19 -6.978 5.841 -5.577 154 H ARG 20 H ARG 20 -5.228 4.251 -2.215 155 HA ARG 20 HA ARG 20 -3.773 5.517 0.002 156 1HB ARG 20 1HB ARG 20 -4.457 2.691 -0.833 157 2HB ARG 20 2HB ARG 20 -3.497 3.040 0.605 158 1HG ARG 20 1HG ARG 20 -6.015 4.591 0.307 159 2HG ARG 20 2HG ARG 20 -6.205 2.868 0.635 160 1HD ARG 20 1HD ARG 20 -5.085 3.020 2.708 161 2HD ARG 20 2HD ARG 20 -4.287 4.543 2.266 162 HE ARG 20 HE ARG 20 -6.730 5.466 2.225 163 1HH1 ARG 20 1HH2 ARG 20 -5.116 3.833 4.679 164 2HH1 ARG 20 2HH2 ARG 20 -6.495 3.668 5.714 165 1HH2 ARG 20 1HH1 ARG 20 -8.743 4.845 3.349 166 2HH2 ARG 20 2HH1 ARG 20 -8.550 4.241 4.961 167 H TYR 21 H TYR 21 -1.590 4.106 0.521 168 HA TYR 21 HA TYR 21 0.065 4.293 -1.977 169 1HB TYR 21 1HB TYR 21 0.534 4.994 0.921 170 2HB TYR 21 2HB TYR 21 1.884 4.773 -0.191 171 HD1 TYR 21 1HD TYR 21 -1.111 6.807 0.561 172 HD2 TYR 21 2HD TYR 21 2.348 6.364 -1.946 173 HE1 TYR 21 1HE TYR 21 -1.430 9.116 -0.284 174 HE2 TYR 21 2HE TYR 21 2.027 8.674 -2.794 175 HH TYR 21 HH TYR 21 0.198 10.933 -1.322 176 H PHE 22 H PHE 22 1.531 2.639 -2.383 177 HA PHE 22 HA PHE 22 1.809 0.444 -0.382 178 1HB PHE 22 1HB PHE 22 1.087 -1.197 -1.910 179 2HB PHE 22 2HB PHE 22 -0.022 0.129 -2.217 180 HD1 PHE 22 1HD PHE 22 0.231 1.555 -4.231 181 HD2 PHE 22 2HD PHE 22 2.771 -1.835 -3.520 182 HE1 PHE 22 1HE PHE 22 0.968 1.614 -6.599 183 HE2 PHE 22 2HE PHE 22 3.514 -1.776 -5.885 184 HZ PHE 22 HZ PHE 22 2.617 -0.053 -7.424 185 H TYR 23 H TYR 23 3.733 -0.949 -0.967 186 HA TYR 23 HA TYR 23 5.885 0.784 -2.062 187 1HB TYR 23 1HB TYR 23 6.014 -0.424 0.142 188 2HB TYR 23 2HB TYR 23 6.036 -1.945 -0.757 189 HD1 TYR 23 1HD TYR 23 8.026 -2.694 -1.862 190 HD2 TYR 23 2HD TYR 23 7.805 1.285 -0.260 191 HE1 TYR 23 1HE TYR 23 10.448 -2.392 -2.291 192 HE2 TYR 23 2HE TYR 23 10.227 1.594 -0.681 193 HH TYR 23 HH TYR 23 12.326 -0.633 -1.037 194 H ASN 24 H ASN 24 6.365 0.613 -4.198 195 HA ASN 24 HA ASN 24 5.774 -1.881 -5.694 196 1HB ASN 24 1HB ASN 24 5.208 0.369 -6.588 197 2HB ASN 24 2HB ASN 24 6.910 0.817 -6.520 198 1HD2 ASN 24 1HD2 ASN 24 5.183 0.590 -8.956 199 2HD2 ASN 24 2HD2 ASN 24 5.935 -0.564 -9.947 200 H ALA 25 H ALA 25 7.446 -3.291 -4.823 201 HA ALA 25 HA ALA 25 10.109 -2.765 -4.299 202 1HB ALA 25 1HB ALA 25 8.561 -5.064 -5.397 203 2HB ALA 25 2HB ALA 25 9.507 -4.954 -3.912 204 3HB ALA 25 3HB ALA 25 10.320 -5.181 -5.460 205 H LYS 26 H LYS 26 8.569 -2.922 -7.459 206 HA LYS 26 HA LYS 26 11.049 -2.966 -8.983 207 1HB LYS 26 1HB LYS 26 8.200 -3.076 -9.385 208 2HB LYS 26 2HB LYS 26 8.889 -1.869 -10.472 209 1HG LYS 26 1HG LYS 26 10.269 -3.434 -11.536 210 2HG LYS 26 2HG LYS 26 10.212 -4.555 -10.175 211 1HD LYS 26 1HD LYS 26 7.714 -3.878 -11.721 212 2HD LYS 26 2HD LYS 26 8.820 -5.124 -12.300 213 1HE LYS 26 1HE LYS 26 7.749 -6.556 -10.891 214 2HE LYS 26 2HE LYS 26 8.483 -5.657 -9.548 215 1HZ LYS 26 1HZ LYS 26 6.533 -3.997 -10.249 216 2HZ LYS 26 2HZ LYS 26 6.315 -5.220 -9.091 217 3HZ LYS 26 3HZ LYS 26 5.802 -5.462 -10.692 218 H ALA 27 H ALA 27 9.079 -0.501 -7.475 219 HA ALA 27 HA ALA 27 10.384 1.686 -8.999 220 1HB ALA 27 1HB ALA 27 8.521 2.035 -6.667 221 2HB ALA 27 2HB ALA 27 7.886 1.387 -8.180 222 3HB ALA 27 3HB ALA 27 8.636 2.983 -8.150 223 H GLY 28 H GLY 28 10.783 -0.041 -6.024 224 1HA GLY 28 1HA GLY 28 12.590 0.176 -4.493 225 2HA GLY 28 2HA GLY 28 13.069 1.662 -5.315 226 H LEU 29 H LEU 29 9.888 2.102 -4.882 227 HA LEU 29 HA LEU 29 10.011 2.950 -2.041 228 1HB LEU 29 1HB LEU 29 9.312 5.237 -2.745 229 2HB LEU 29 2HB LEU 29 10.888 4.805 -3.404 230 HG LEU 29 HG LEU 29 8.688 3.968 -5.140 231 1HD1 LEU 29 1HD1 LEU 29 8.099 6.253 -5.887 232 2HD1 LEU 29 2HD1 LEU 29 9.065 6.926 -4.574 233 3HD1 LEU 29 3HD1 LEU 29 7.618 5.984 -4.212 234 1HD2 LEU 29 1HD2 LEU 29 10.830 5.970 -5.804 235 2HD2 LEU 29 2HD2 LEU 29 10.158 4.688 -6.810 236 3HD2 LEU 29 3HD2 LEU 29 11.276 4.292 -5.506 237 H CYS 30 H CYS 30 7.571 4.635 -2.693 238 HA CYS 30 HA CYS 30 5.647 2.361 -2.991 239 1HB CYS 30 1HB CYS 30 5.914 4.652 -1.131 240 2HB CYS 30 2HB CYS 30 4.272 4.287 -1.657 241 H GLN 31 H GLN 31 3.525 2.958 -3.859 242 HA GLN 31 HA GLN 31 3.436 5.411 -5.543 243 1HB GLN 31 1HB GLN 31 3.119 2.534 -6.472 244 2HB GLN 31 2HB GLN 31 2.720 3.938 -7.462 245 1HG GLN 31 1HG GLN 31 5.271 4.528 -6.563 246 2HG GLN 31 2HG GLN 31 5.344 2.784 -6.822 247 1HE2 GLN 31 1HE2 GLN 31 6.895 3.896 -8.616 248 2HE2 GLN 31 2HE2 GLN 31 6.154 4.142 -10.123 249 H THR 32 H THR 32 1.115 5.688 -6.390 250 HA THR 32 HA THR 32 -0.763 5.055 -4.223 251 HB THR 32 HB THR 32 -2.253 6.508 -5.569 252 HG1 THR 32 1HG THR 32 -0.960 7.418 -7.473 253 1HG2 THR 32 1HG2 THR 32 0.511 7.254 -4.814 254 2HG2 THR 32 2HG2 THR 32 -1.024 7.971 -4.326 255 3HG2 THR 32 3HG2 THR 32 -0.314 8.387 -5.885 256 H PHE 33 H PHE 33 -2.534 3.684 -4.373 257 HA PHE 33 HA PHE 33 -3.031 2.246 -6.925 258 1HB PHE 33 1HB PHE 33 -2.545 0.136 -6.025 259 2HB PHE 33 2HB PHE 33 -1.290 1.140 -5.307 260 HD1 PHE 33 1HD PHE 33 -4.352 -0.774 -4.688 261 HD2 PHE 33 2HD PHE 33 -1.418 1.830 -2.935 262 HE1 PHE 33 1HE PHE 33 -5.128 -1.423 -2.423 263 HE2 PHE 33 2HE PHE 33 -2.196 1.190 -0.676 264 HZ PHE 33 HZ PHE 33 -4.050 -0.441 -0.415 265 H VAL 34 H VAL 34 -5.079 0.797 -6.592 266 HA VAL 34 HA VAL 34 -7.118 2.473 -5.290 267 HB VAL 34 HB VAL 34 -7.283 -0.126 -6.847 268 1HG1 VAL 34 1HG1 VAL 34 -9.286 1.723 -5.645 269 2HG1 VAL 34 2HG1 VAL 34 -9.392 -0.014 -5.939 270 3HG1 VAL 34 3HG1 VAL 34 -9.638 1.121 -7.266 271 1HG2 VAL 34 1HG2 VAL 34 -7.586 2.767 -7.721 272 2HG2 VAL 34 2HG2 VAL 34 -7.868 1.360 -8.745 273 3HG2 VAL 34 3HG2 VAL 34 -6.247 1.699 -8.139 274 H TYR 35 H TYR 35 -7.753 2.142 -3.230 275 HA TYR 35 HA TYR 35 -7.142 -0.450 -1.883 276 1HB TYR 35 1HB TYR 35 -6.330 1.630 -0.894 277 2HB TYR 35 2HB TYR 35 -7.947 2.326 -0.948 278 HD1 TYR 35 1HD TYR 35 -7.193 -1.195 -0.034 279 HD2 TYR 35 2HD TYR 35 -8.236 2.722 1.392 280 HE1 TYR 35 1HE TYR 35 -7.674 -2.136 2.212 281 HE2 TYR 35 2HE TYR 35 -8.717 1.780 3.632 282 HH TYR 35 HH TYR 35 -9.059 -0.136 4.782 283 H GLY 36 H GLY 36 -8.845 -1.634 -0.827 284 1HA GLY 36 1HA GLY 36 -11.555 -1.062 -1.901 285 2HA GLY 36 2HA GLY 36 -11.034 -2.591 -1.199 286 H ALA 37 H ALA 37 -9.846 -0.365 0.891 287 HA ALA 37 HA ALA 37 -10.631 0.583 2.922 288 1HB ALA 37 1HB ALA 37 -12.846 1.342 2.940 289 2HB ALA 37 2HB ALA 37 -13.434 -0.063 2.051 290 3HB ALA 37 3HB ALA 37 -12.526 1.195 1.212 291 H CYS 38 H CYS 38 -11.079 -2.605 1.935 292 HA CYS 38 HA CYS 38 -11.682 -3.408 4.751 293 1HB CYS 38 1HB CYS 38 -13.254 -5.109 3.825 294 2HB CYS 38 2HB CYS 38 -13.763 -3.461 3.455 295 H ARG 39 H ARG 39 -10.796 -5.480 5.320 296 HA ARG 39 HA ARG 39 -9.072 -7.099 5.281 297 1HB ARG 39 1HB ARG 39 -10.477 -7.115 2.635 298 2HB ARG 39 2HB ARG 39 -9.061 -8.147 2.836 299 1HG ARG 39 1HG ARG 39 -10.280 -9.628 4.019 300 2HG ARG 39 2HG ARG 39 -10.740 -8.368 5.165 301 1HD ARG 39 1HD ARG 39 -12.413 -7.662 3.226 302 2HD ARG 39 2HD ARG 39 -12.206 -9.356 2.737 303 HE ARG 39 HE ARG 39 -13.374 -8.406 5.297 304 1HH1 ARG 39 1HH2 ARG 39 -14.675 -10.422 3.471 305 2HH1 ARG 39 2HH2 ARG 39 -14.360 -11.909 4.303 306 1HH2 ARG 39 1HH1 ARG 39 -11.888 -10.559 6.329 307 2HH2 ARG 39 2HH1 ARG 39 -12.781 -11.987 5.921 308 H ALA 40 H ALA 40 -8.105 -4.434 4.953 309 HA ALA 40 HA ALA 40 -6.349 -4.170 2.671 310 1HB ALA 40 1HB ALA 40 -5.854 -2.858 5.323 311 2HB ALA 40 2HB ALA 40 -7.350 -2.494 4.465 312 3HB ALA 40 3HB ALA 40 -5.795 -2.158 3.705 313 H LYS 41 H LYS 41 -4.066 -4.497 2.595 314 HA LYS 41 HA LYS 41 -3.033 -6.485 4.569 315 1HB LYS 41 1HB LYS 41 -2.068 -5.587 1.830 316 2HB LYS 41 2HB LYS 41 -1.372 -6.907 2.770 317 1HG LYS 41 1HG LYS 41 -3.616 -8.028 2.748 318 2HG LYS 41 2HG LYS 41 -4.200 -6.752 1.679 319 1HD LYS 41 1HD LYS 41 -3.544 -8.307 0.096 320 2HD LYS 41 2HD LYS 41 -2.023 -7.435 0.289 321 1HE LYS 41 1HE LYS 41 -1.001 -9.263 1.189 322 2HE LYS 41 2HE LYS 41 -2.367 -9.577 2.277 323 1HZ LYS 41 1HZ LYS 41 -2.077 -11.303 0.536 324 2HZ LYS 41 2HZ LYS 41 -2.367 -10.123 -0.652 325 3HZ LYS 41 3HZ LYS 41 -3.586 -10.536 0.457 326 H ARG 42 H ARG 42 -0.298 -6.035 4.241 327 HA ARG 42 HA ARG 42 0.083 -3.618 5.873 328 1HB ARG 42 1HB ARG 42 2.230 -5.415 4.741 329 2HB ARG 42 2HB ARG 42 2.227 -4.541 6.271 330 1HG ARG 42 1HG ARG 42 0.196 -6.020 6.888 331 2HG ARG 42 2HG ARG 42 0.685 -7.030 5.528 332 1HD ARG 42 1HD ARG 42 3.070 -6.869 6.696 333 2HD ARG 42 2HD ARG 42 2.086 -6.548 8.136 334 HE ARG 42 HE ARG 42 1.747 -8.964 6.384 335 1HH1 ARG 42 1HH2 ARG 42 0.011 -7.523 8.746 336 2HH1 ARG 42 2HH2 ARG 42 0.143 -8.789 9.920 337 1HH2 ARG 42 1HH1 ARG 42 2.594 -10.514 8.175 338 2HH2 ARG 42 2HH1 ARG 42 1.608 -10.481 9.599 339 H ASN 43 H ASN 43 0.137 -4.375 2.537 340 HA ASN 43 HA ASN 43 2.049 -2.201 1.867 341 1HB ASN 43 1HB ASN 43 1.678 -4.648 0.839 342 2HB ASN 43 2HB ASN 43 0.514 -3.776 -0.158 343 1HD2 ASN 43 1HD2 ASN 43 3.234 -4.951 -0.878 344 2HD2 ASN 43 2HD2 ASN 43 4.098 -3.656 -1.551 345 H ASN 44 H ASN 44 -0.081 -1.068 3.098 346 HA ASN 44 HA ASN 44 -1.428 0.409 0.904 347 1HB ASN 44 1HB ASN 44 -2.936 -1.431 1.267 348 2HB ASN 44 2HB ASN 44 -2.771 -1.304 3.017 349 1HD2 ASN 44 1HD2 ASN 44 -5.345 -1.245 2.143 350 2HD2 ASN 44 2HD2 ASN 44 -5.989 0.337 2.192 351 H PHE 45 H PHE 45 -0.047 2.123 1.839 352 HA PHE 45 HA PHE 45 -0.710 2.971 4.616 353 1HB PHE 45 1HB PHE 45 1.310 4.160 2.698 354 2HB PHE 45 2HB PHE 45 1.325 4.212 4.462 355 HD1 PHE 45 1HD PHE 45 1.673 2.051 5.756 356 HD2 PHE 45 2HD PHE 45 2.256 2.328 1.507 357 HE1 PHE 45 1HE PHE 45 2.962 -0.072 5.793 358 HE2 PHE 45 2HE PHE 45 3.547 0.209 1.544 359 HZ PHE 45 HZ PHE 45 3.895 -1.001 3.685 360 H LYS 46 H LYS 46 -1.398 5.177 5.018 361 HA LYS 46 HA LYS 46 -3.228 6.222 2.980 362 1HB LYS 46 1HB LYS 46 -3.889 6.181 5.299 363 2HB LYS 46 2HB LYS 46 -2.423 7.030 5.788 364 1HG LYS 46 1HG LYS 46 -4.388 8.549 5.710 365 2HG LYS 46 2HG LYS 46 -3.146 9.026 4.553 366 1HD LYS 46 1HD LYS 46 -4.505 8.633 2.784 367 2HD LYS 46 2HD LYS 46 -5.058 7.095 3.449 368 1HE LYS 46 1HE LYS 46 -6.769 8.143 4.727 369 2HE LYS 46 2HE LYS 46 -6.016 9.743 4.573 370 1HZ LYS 46 1HZ LYS 46 -7.740 9.668 2.972 371 2HZ LYS 46 2HZ LYS 46 -7.313 8.106 2.459 372 3HZ LYS 46 3HZ LYS 46 -6.306 9.427 2.099 373 H SER 47 H SER 47 0.036 6.858 3.973 374 HA SER 47 HA SER 47 0.112 9.192 2.108 375 1HB SER 47 1HB SER 47 1.323 10.488 3.789 376 2HB SER 47 2HB SER 47 -0.210 9.951 4.465 377 HG SER 47 HG SER 47 1.636 9.595 5.844 378 H ALA 48 H ALA 48 2.256 9.604 1.276 379 HA ALA 48 HA ALA 48 3.835 7.277 0.740 380 1HB ALA 48 1HB ALA 48 3.874 10.192 0.261 381 2HB ALA 48 2HB ALA 48 4.239 8.869 -0.847 382 3HB ALA 48 3HB ALA 48 5.472 9.445 0.275 383 H GLU 49 H GLU 49 3.944 9.706 3.272 384 HA GLU 49 HA GLU 49 6.611 9.033 4.235 385 1HB GLU 49 1HB GLU 49 4.552 10.967 4.667 386 2HB GLU 49 2HB GLU 49 4.943 10.241 6.227 387 1HG GLU 49 1HG GLU 49 7.341 10.694 5.828 388 2HG GLU 49 2HG GLU 49 6.942 11.424 4.273 389 H ASP 50 H ASP 50 3.385 7.808 4.717 390 HA ASP 50 HA ASP 50 3.903 6.434 7.234 391 1HB ASP 50 1HB ASP 50 1.660 7.150 6.332 392 2HB ASP 50 2HB ASP 50 1.827 5.929 5.069 393 H CYS 51 H CYS 51 4.117 5.708 3.800 394 HA CYS 51 HA CYS 51 4.630 2.856 4.067 395 1HB CYS 51 1HB CYS 51 3.880 3.543 1.956 396 2HB CYS 51 2HB CYS 51 4.832 5.024 1.987 397 H MET 52 H MET 52 6.682 5.738 3.503 398 HA MET 52 HA MET 52 9.212 4.473 3.422 399 1HB MET 52 1HB MET 52 8.249 7.174 4.409 400 2HB MET 52 2HB MET 52 9.961 6.777 4.251 401 1HG MET 52 1HG MET 52 8.486 6.026 1.862 402 2HG MET 52 2HG MET 52 8.268 7.737 2.227 403 1HE MET 52 1HE MET 52 11.869 5.459 0.798 404 2HE MET 52 2HE MET 52 10.350 5.686 -0.065 405 3HE MET 52 3HE MET 52 10.357 4.848 1.485 406 H ARG 53 H ARG 53 7.704 6.061 6.276 407 HA ARG 53 HA ARG 53 9.540 5.374 8.253 408 1HB ARG 53 1HB ARG 53 6.517 5.515 8.215 409 2HB ARG 53 2HB ARG 53 7.419 5.292 9.714 410 1HG ARG 53 1HG ARG 53 8.689 7.405 8.319 411 2HG ARG 53 2HG ARG 53 6.954 7.720 8.233 412 1HD ARG 53 1HD ARG 53 7.441 6.846 10.880 413 2HD ARG 53 2HD ARG 53 8.730 8.005 10.503 414 HE ARG 53 HE ARG 53 6.001 8.782 9.667 415 1HH1 ARG 53 1HH2 ARG 53 8.292 10.690 10.148 416 2HH1 ARG 53 2HH2 ARG 53 7.845 11.398 11.664 417 1HH2 ARG 53 1HH1 ARG 53 5.524 8.936 12.429 418 2HH2 ARG 53 2HH1 ARG 53 6.278 10.404 12.957 419 H THR 54 H THR 54 7.352 3.267 6.525 420 HA THR 54 HA THR 54 7.855 1.019 8.414 421 HB THR 54 HB THR 54 6.054 1.343 5.990 422 HG1 THR 54 1HG THR 54 5.708 1.634 8.772 423 1HG2 THR 54 1HG2 THR 54 6.930 -1.009 7.125 424 2HG2 THR 54 2HG2 THR 54 5.417 -0.815 6.239 425 3HG2 THR 54 3HG2 THR 54 5.427 -0.705 7.999 426 H CYS 55 H CYS 55 7.742 1.339 4.840 427 HA CYS 55 HA CYS 55 9.885 -0.729 4.656 428 1HB CYS 55 1HB CYS 55 7.992 0.421 2.577 429 2HB CYS 55 2HB CYS 55 8.999 -1.017 2.396 430 H GLY 56 H GLY 56 10.489 2.104 5.312 431 1HA GLY 56 1HA GLY 56 11.620 3.212 2.825 432 2HA GLY 56 2HA GLY 56 11.681 3.969 4.418 433 H GLY 57 H GLY 57 12.715 0.707 3.391 434 1HA GLY 57 1HA GLY 57 15.422 1.374 4.468 435 2HA GLY 57 2HA GLY 57 14.735 -0.252 4.453 436 H ALA 58 H ALA 58 15.009 2.280 1.933 437 HA ALA 58 HA ALA 58 16.418 0.252 0.226 438 1HB ALA 58 1HB ALA 58 13.985 0.865 -0.290 439 2HB ALA 58 2HB ALA 58 15.125 1.069 -1.621 440 3HB ALA 58 3HB ALA 58 14.582 2.474 -0.702 Start of MODEL 2 1 1H ARG 1 1H ARG 1 14.485 -5.412 6.166 2 2H ARG 1 2H ARG 1 15.347 -4.005 5.760 3 3H ARG 1 3H ARG 1 15.245 -5.290 4.654 4 HA ARG 1 HA ARG 1 13.239 -3.264 5.342 5 1HB ARG 1 1HB ARG 1 14.071 -2.783 3.274 6 2HB ARG 1 2HB ARG 1 14.755 -4.392 3.084 7 1HG ARG 1 1HG ARG 1 12.827 -5.248 2.108 8 2HG ARG 1 2HG ARG 1 11.780 -4.063 2.889 9 1HD ARG 1 1HD ARG 1 11.819 -3.007 0.856 10 2HD ARG 1 2HD ARG 1 13.445 -2.477 1.334 11 HE ARG 1 HE ARG 1 12.823 -4.846 -0.376 12 1HH1 ARG 1 1HH2 ARG 1 14.506 -2.332 -1.059 13 2HH1 ARG 1 2HH2 ARG 1 16.099 -3.009 -1.018 14 1HH2 ARG 1 1HH1 ARG 1 15.112 -5.894 0.636 15 2HH2 ARG 1 2HH1 ARG 1 16.443 -5.029 -0.057 16 HA PRO 2 HA PRO 2 10.013 -6.210 5.833 17 1HB PRO 2 1HB PRO 2 7.929 -4.842 4.698 18 2HB PRO 2 2HB PRO 2 8.584 -4.466 6.299 19 1HG PRO 2 1HG PRO 2 9.079 -3.150 3.664 20 2HG PRO 2 2HG PRO 2 8.864 -2.413 5.260 21 1HD PRO 2 1HD PRO 2 11.292 -2.747 4.074 22 2HD PRO 2 2HD PRO 2 11.066 -2.757 5.837 23 H ASP 3 H ASP 3 8.606 -7.630 4.623 24 HA ASP 3 HA ASP 3 9.435 -7.940 1.780 25 1HB ASP 3 1HB ASP 3 9.365 -9.695 3.815 26 2HB ASP 3 2HB ASP 3 7.709 -9.895 3.239 27 H PHE 4 H PHE 4 6.659 -7.167 3.821 28 HA PHE 4 HA PHE 4 4.628 -7.710 1.835 29 1HB PHE 4 1HB PHE 4 3.207 -6.341 3.318 30 2HB PHE 4 2HB PHE 4 4.164 -7.498 4.234 31 HD1 PHE 4 1HD PHE 4 5.998 -6.781 5.668 32 HD2 PHE 4 2HD PHE 4 3.692 -3.924 3.427 33 HE1 PHE 4 1HE PHE 4 6.904 -4.941 7.064 34 HE2 PHE 4 2HE PHE 4 4.607 -2.103 4.824 35 HZ PHE 4 HZ PHE 4 6.200 -2.603 6.633 36 H CYS 5 H CYS 5 6.912 -5.129 2.226 37 HA CYS 5 HA CYS 5 5.440 -3.157 0.649 38 1HB CYS 5 1HB CYS 5 8.337 -3.464 1.502 39 2HB CYS 5 2HB CYS 5 7.690 -2.024 0.714 40 H LEU 6 H LEU 6 7.577 -5.841 0.018 41 HA LEU 6 HA LEU 6 8.220 -5.019 -2.733 42 1HB LEU 6 1HB LEU 6 8.552 -7.708 -1.374 43 2HB LEU 6 2HB LEU 6 9.486 -7.070 -2.727 44 HG LEU 6 HG LEU 6 9.464 -6.003 0.115 45 1HD1 LEU 6 1HD1 LEU 6 11.969 -6.589 -0.195 46 2HD1 LEU 6 2HD1 LEU 6 11.425 -7.573 -1.554 47 3HD1 LEU 6 3HD1 LEU 6 10.844 -7.918 0.076 48 1HD2 LEU 6 1HD2 LEU 6 10.977 -4.307 -0.620 49 2HD2 LEU 6 2HD2 LEU 6 9.648 -4.284 -1.779 50 3HD2 LEU 6 3HD2 LEU 6 11.173 -5.065 -2.200 51 H GLU 7 H GLU 7 5.724 -6.755 -1.078 52 HA GLU 7 HA GLU 7 4.834 -8.311 -3.401 53 1HB GLU 7 1HB GLU 7 3.933 -7.769 -0.582 54 2HB GLU 7 2HB GLU 7 2.828 -8.555 -1.710 55 1HG GLU 7 1HG GLU 7 5.067 -10.001 -2.177 56 2HG GLU 7 2HG GLU 7 5.340 -9.572 -0.488 57 HA PRO 8 HA PRO 8 2.133 -5.350 -5.185 58 1HB PRO 8 1HB PRO 8 -0.074 -6.870 -5.785 59 2HB PRO 8 2HB PRO 8 1.452 -6.971 -6.687 60 1HG PRO 8 1HG PRO 8 0.390 -8.736 -4.520 61 2HG PRO 8 2HG PRO 8 1.224 -9.175 -6.021 62 1HD PRO 8 1HD PRO 8 2.453 -9.106 -3.594 63 2HD PRO 8 2HD PRO 8 3.305 -8.768 -5.118 64 HA PRO 9 HA PRO 9 -0.617 -3.872 -2.093 65 1HB PRO 9 1HB PRO 9 -2.415 -2.459 -3.613 66 2HB PRO 9 2HB PRO 9 -0.767 -1.894 -3.277 67 1HG PRO 9 1HG PRO 9 -1.880 -3.214 -5.707 68 2HG PRO 9 2HG PRO 9 -0.698 -1.901 -5.577 69 1HD PRO 9 1HD PRO 9 -0.038 -4.512 -6.085 70 2HD PRO 9 2HD PRO 9 1.053 -3.355 -5.292 71 H TYR 10 H TYR 10 -3.194 -3.657 -1.774 72 HA TYR 10 HA TYR 10 -4.512 -6.133 -2.858 73 1HB TYR 10 1HB TYR 10 -3.569 -6.468 -0.585 74 2HB TYR 10 2HB TYR 10 -4.479 -5.070 -0.012 75 HD1 TYR 10 1HD TYR 10 -4.920 -8.390 -1.689 76 HD2 TYR 10 2HD TYR 10 -6.678 -5.324 0.754 77 HE1 TYR 10 1HE TYR 10 -6.907 -9.828 -1.313 78 HE2 TYR 10 2HE TYR 10 -8.663 -6.761 1.128 79 HH TYR 10 HH TYR 10 -9.528 -8.804 0.862 80 H THR 11 H THR 11 -5.787 -4.875 -4.278 81 HA THR 11 HA THR 11 -7.275 -2.542 -3.505 82 HB THR 11 HB THR 11 -7.319 -4.604 -5.699 83 HG1 THR 11 1HG THR 11 -6.068 -2.453 -5.383 84 1HG2 THR 11 1HG2 THR 11 -9.217 -3.475 -6.765 85 2HG2 THR 11 2HG2 THR 11 -9.375 -2.399 -5.376 86 3HG2 THR 11 3HG2 THR 11 -9.701 -4.123 -5.197 87 H GLY 12 H GLY 12 -7.691 -5.956 -3.035 88 1HA GLY 12 1HA GLY 12 -9.364 -7.179 -1.919 89 2HA GLY 12 2HA GLY 12 -9.782 -5.664 -1.117 90 HA PRO 13 HA PRO 13 -13.080 -6.838 -4.202 91 1HB PRO 13 1HB PRO 13 -15.025 -7.643 -2.455 92 2HB PRO 13 2HB PRO 13 -13.817 -8.749 -3.136 93 1HG PRO 13 1HG PRO 13 -13.986 -7.539 -0.438 94 2HG PRO 13 2HG PRO 13 -13.324 -9.100 -0.937 95 1HD PRO 13 1HD PRO 13 -11.859 -6.789 -0.336 96 2HD PRO 13 2HD PRO 13 -11.244 -8.228 -1.176 97 H CYS 14 H CYS 14 -14.997 -6.140 -1.374 98 HA CYS 14 HA CYS 14 -16.435 -4.300 -0.968 99 1HB CYS 14 1HB CYS 14 -13.593 -3.438 -1.208 100 2HB CYS 14 2HB CYS 14 -14.803 -2.159 -1.113 101 H LYS 15 H LYS 15 -16.568 -1.750 -1.952 102 HA LYS 15 HA LYS 15 -16.654 -1.995 -4.931 103 1HB LYS 15 1HB LYS 15 -18.846 -1.810 -2.975 104 2HB LYS 15 2HB LYS 15 -18.961 -0.627 -4.278 105 1HG LYS 15 1HG LYS 15 -18.559 -2.549 -5.895 106 2HG LYS 15 2HG LYS 15 -18.771 -3.640 -4.524 107 1HD LYS 15 1HD LYS 15 -21.027 -3.265 -4.413 108 2HD LYS 15 2HD LYS 15 -20.870 -1.567 -4.865 109 1HE LYS 15 1HE LYS 15 -21.991 -3.143 -6.592 110 2HE LYS 15 2HE LYS 15 -20.678 -2.110 -7.195 111 1HZ LYS 15 1HZ LYS 15 -19.900 -4.643 -5.982 112 2HZ LYS 15 2HZ LYS 15 -19.270 -3.860 -7.353 113 3HZ LYS 15 3HZ LYS 15 -20.703 -4.765 -7.472 114 H ALA 16 H ALA 16 -15.276 -0.381 -2.542 115 HA ALA 16 HA ALA 16 -15.843 2.369 -3.566 116 1HB ALA 16 1HB ALA 16 -14.959 3.086 -1.457 117 2HB ALA 16 2HB ALA 16 -14.204 1.518 -1.166 118 3HB ALA 16 3HB ALA 16 -15.959 1.679 -1.100 119 H ARG 17 H ARG 17 -13.875 3.784 -3.858 120 HA ARG 17 HA ARG 17 -11.474 2.202 -4.712 121 1HB ARG 17 1HB ARG 17 -12.846 4.545 -6.071 122 2HB ARG 17 2HB ARG 17 -11.346 3.802 -6.625 123 1HG ARG 17 1HG ARG 17 -12.454 2.082 -7.587 124 2HG ARG 17 2HG ARG 17 -13.439 1.824 -6.146 125 1HD ARG 17 1HD ARG 17 -14.995 3.564 -6.830 126 2HD ARG 17 2HD ARG 17 -13.945 4.027 -8.183 127 HE ARG 17 HE ARG 17 -15.227 1.319 -7.948 128 1HH1 ARG 17 1HH1 ARG 17 -16.514 3.473 -9.650 129 2HH1 ARG 17 2HH1 ARG 17 -15.896 3.085 -11.221 130 1HH2 ARG 17 1HH2 ARG 17 -13.363 1.048 -10.013 131 2HH2 ARG 17 2HH2 ARG 17 -14.109 1.718 -11.425 132 H ILE 18 H ILE 18 -10.911 2.959 -2.383 133 HA ILE 18 HA ILE 18 -10.307 5.790 -1.994 134 HB ILE 18 HB ILE 18 -9.447 3.294 -0.489 135 1HG1 ILE 18 1HG1 ILE 18 -11.812 5.119 0.033 136 2HG1 ILE 18 2HG1 ILE 18 -11.937 3.584 -0.827 137 1HG2 ILE 18 1HG2 ILE 18 -9.855 6.036 0.682 138 2HG2 ILE 18 2HG2 ILE 18 -8.324 5.627 -0.091 139 3HG2 ILE 18 3HG2 ILE 18 -8.885 4.700 1.301 140 1HD1 ILE 18 1HD1 ILE 18 -11.294 4.094 2.063 141 2HD1 ILE 18 2HD1 ILE 18 -10.682 2.634 1.284 142 3HD1 ILE 18 3HD1 ILE 18 -12.419 2.930 1.361 143 H ILE 19 H ILE 19 -8.151 6.689 -1.910 144 HA ILE 19 HA ILE 19 -6.225 5.300 -3.691 145 HB ILE 19 HB ILE 19 -6.434 8.110 -2.566 146 1HG1 ILE 19 1HG1 ILE 19 -8.153 7.322 -4.261 147 2HG1 ILE 19 2HG1 ILE 19 -7.192 8.711 -4.773 148 1HG2 ILE 19 1HG2 ILE 19 -4.115 7.736 -2.981 149 2HG2 ILE 19 2HG2 ILE 19 -4.717 8.566 -4.417 150 3HG2 ILE 19 3HG2 ILE 19 -4.450 6.823 -4.452 151 1HD1 ILE 19 1HD1 ILE 19 -7.535 6.491 -6.300 152 2HD1 ILE 19 2HD1 ILE 19 -6.067 6.045 -5.430 153 3HD1 ILE 19 3HD1 ILE 19 -6.104 7.519 -6.397 154 H ARG 20 H ARG 20 -5.391 3.745 -2.146 155 HA ARG 20 HA ARG 20 -4.111 4.755 0.323 156 1HB ARG 20 1HB ARG 20 -4.688 2.096 -0.958 157 2HB ARG 20 2HB ARG 20 -3.540 2.194 0.377 158 1HG ARG 20 1HG ARG 20 -6.407 3.192 0.437 159 2HG ARG 20 2HG ARG 20 -5.819 1.715 1.202 160 1HD ARG 20 1HD ARG 20 -5.186 2.916 3.021 161 2HD ARG 20 2HD ARG 20 -4.136 3.919 1.999 162 HE ARG 20 HE ARG 20 -6.458 5.061 1.402 163 1HH1 ARG 20 1HH2 ARG 20 -6.703 3.203 4.148 164 2HH1 ARG 20 2HH2 ARG 20 -7.140 4.495 5.216 165 1HH2 ARG 20 1HH1 ARG 20 -6.496 6.987 2.894 166 2HH2 ARG 20 2HH1 ARG 20 -7.025 6.635 4.505 167 H TYR 21 H TYR 21 -1.811 3.828 0.718 168 HA TYR 21 HA TYR 21 -0.160 4.287 -1.744 169 1HB TYR 21 1HB TYR 21 -0.015 5.065 1.131 170 2HB TYR 21 2HB TYR 21 1.517 4.732 0.324 171 HD1 TYR 21 1HD TYR 21 -1.257 7.045 0.673 172 HD2 TYR 21 2HD TYR 21 2.121 6.001 -1.767 173 HE1 TYR 21 1HE TYR 21 -1.324 9.289 -0.381 174 HE2 TYR 21 2HE TYR 21 2.051 8.244 -2.824 175 HH TYR 21 HH TYR 21 1.229 10.448 -2.391 176 H PHE 22 H PHE 22 1.508 2.811 -2.186 177 HA PHE 22 HA PHE 22 2.027 0.619 -0.246 178 1HB PHE 22 1HB PHE 22 1.377 -1.079 -1.737 179 2HB PHE 22 2HB PHE 22 0.144 0.144 -1.976 180 HD1 PHE 22 1HD PHE 22 0.184 1.611 -3.986 181 HD2 PHE 22 2HD PHE 22 2.993 -1.594 -3.451 182 HE1 PHE 22 1HE PHE 22 0.788 1.739 -6.389 183 HE2 PHE 22 2HE PHE 22 3.597 -1.466 -5.854 184 HZ PHE 22 HZ PHE 22 2.495 0.202 -7.321 185 H TYR 23 H TYR 23 4.060 -0.439 -0.661 186 HA TYR 23 HA TYR 23 6.051 1.333 -1.919 187 1HB TYR 23 1HB TYR 23 6.388 0.159 0.243 188 2HB TYR 23 2HB TYR 23 6.301 -1.391 -0.594 189 HD1 TYR 23 1HD TYR 23 8.299 -2.364 -1.315 190 HD2 TYR 23 2HD TYR 23 8.099 1.897 -0.827 191 HE1 TYR 23 1HE TYR 23 10.701 -2.183 -1.902 192 HE2 TYR 23 2HE TYR 23 10.501 2.079 -1.413 193 HH TYR 23 HH TYR 23 12.432 -0.823 -2.169 194 H ASN 24 H ASN 24 6.303 1.199 -4.136 195 HA ASN 24 HA ASN 24 5.732 -1.299 -5.592 196 1HB ASN 24 1HB ASN 24 5.171 1.031 -6.374 197 2HB ASN 24 2HB ASN 24 6.897 1.345 -6.527 198 1HD2 ASN 24 1HD2 ASN 24 5.658 1.601 -8.897 199 2HD2 ASN 24 2HD2 ASN 24 5.847 0.234 -9.884 200 H ALA 25 H ALA 25 7.464 -2.652 -4.647 201 HA ALA 25 HA ALA 25 10.186 -2.119 -4.472 202 1HB ALA 25 1HB ALA 25 10.124 -4.331 -4.000 203 2HB ALA 25 2HB ALA 25 9.747 -4.708 -5.682 204 3HB ALA 25 3HB ALA 25 8.446 -4.355 -4.544 205 H LYS 26 H LYS 26 8.251 -2.469 -7.364 206 HA LYS 26 HA LYS 26 10.488 -2.843 -9.197 207 1HB LYS 26 1HB LYS 26 7.566 -2.609 -9.216 208 2HB LYS 26 2HB LYS 26 8.313 -1.806 -10.599 209 1HG LYS 26 1HG LYS 26 8.336 -3.888 -11.517 210 2HG LYS 26 2HG LYS 26 9.739 -4.149 -10.480 211 1HD LYS 26 1HD LYS 26 7.340 -4.541 -8.940 212 2HD LYS 26 2HD LYS 26 7.249 -5.515 -10.408 213 1HE LYS 26 1HE LYS 26 9.512 -6.440 -9.900 214 2HE LYS 26 2HE LYS 26 9.529 -5.506 -8.391 215 1HZ LYS 26 1HZ LYS 26 7.320 -7.345 -9.147 216 2HZ LYS 26 2HZ LYS 26 7.616 -6.644 -7.628 217 3HZ LYS 26 3HZ LYS 26 8.649 -7.854 -8.223 218 H ALA 27 H ALA 27 8.833 -0.124 -7.727 219 HA ALA 27 HA ALA 27 10.109 1.818 -9.580 220 1HB ALA 27 1HB ALA 27 8.549 3.330 -8.665 221 2HB ALA 27 2HB ALA 27 8.437 2.436 -7.148 222 3HB ALA 27 3HB ALA 27 7.683 1.795 -8.606 223 H GLY 28 H GLY 28 10.451 0.524 -6.338 224 1HA GLY 28 1HA GLY 28 12.457 0.697 -5.029 225 2HA GLY 28 2HA GLY 28 12.959 2.065 -6.025 226 H LEU 29 H LEU 29 9.817 2.702 -5.393 227 HA LEU 29 HA LEU 29 10.322 3.939 -2.725 228 1HB LEU 29 1HB LEU 29 9.399 6.049 -3.634 229 2HB LEU 29 2HB LEU 29 10.824 5.547 -4.544 230 HG LEU 29 HG LEU 29 8.259 4.467 -5.543 231 1HD1 LEU 29 1HD1 LEU 29 7.961 6.981 -4.753 232 2HD1 LEU 29 2HD1 LEU 29 7.313 6.447 -6.303 233 3HD1 LEU 29 3HD1 LEU 29 8.843 7.322 -6.242 234 1HD2 LEU 29 1HD2 LEU 29 10.922 5.111 -6.465 235 2HD2 LEU 29 2HD2 LEU 29 9.727 5.882 -7.507 236 3HD2 LEU 29 3HD2 LEU 29 9.686 4.136 -7.260 237 H CYS 30 H CYS 30 7.721 5.400 -3.144 238 HA CYS 30 HA CYS 30 5.889 3.050 -2.791 239 1HB CYS 30 1HB CYS 30 6.023 5.771 -1.470 240 2HB CYS 30 2HB CYS 30 4.668 4.661 -1.256 241 H GLN 31 H GLN 31 3.776 3.244 -3.640 242 HA GLN 31 HA GLN 31 3.163 5.639 -5.317 243 1HB GLN 31 1HB GLN 31 3.386 2.739 -6.127 244 2HB GLN 31 2HB GLN 31 2.366 3.851 -7.038 245 1HG GLN 31 1HG GLN 31 4.545 5.370 -6.957 246 2HG GLN 31 2HG GLN 31 5.346 3.813 -6.738 247 1HE2 GLN 31 1HE2 GLN 31 6.282 3.783 -8.891 248 2HE2 GLN 31 2HE2 GLN 31 5.328 3.611 -10.285 249 H THR 32 H THR 32 0.807 5.739 -5.821 250 HA THR 32 HA THR 32 -0.798 4.667 -3.583 251 HB THR 32 HB THR 32 -2.503 6.130 -5.071 252 HG1 THR 32 1HG THR 32 -1.228 7.798 -6.038 253 1HG2 THR 32 1HG2 THR 32 -2.180 7.756 -3.483 254 2HG2 THR 32 2HG2 THR 32 -0.426 7.734 -3.669 255 3HG2 THR 32 3HG2 THR 32 -1.228 6.475 -2.730 256 H PHE 33 H PHE 33 -2.573 3.267 -3.860 257 HA PHE 33 HA PHE 33 -3.042 2.164 -6.599 258 1HB PHE 33 1HB PHE 33 -2.753 -0.067 -5.800 259 2HB PHE 33 2HB PHE 33 -1.393 0.840 -5.151 260 HD1 PHE 33 1HD PHE 33 -1.487 1.669 -2.748 261 HD2 PHE 33 2HD PHE 33 -4.353 -1.090 -4.369 262 HE1 PHE 33 1HE PHE 33 -2.167 1.035 -0.458 263 HE2 PHE 33 2HE PHE 33 -5.033 -1.730 -2.071 264 HZ PHE 33 HZ PHE 33 -3.940 -0.669 -0.114 265 H VAL 34 H VAL 34 -5.127 0.972 -6.714 266 HA VAL 34 HA VAL 34 -7.249 2.406 -5.340 267 HB VAL 34 HB VAL 34 -7.188 -0.051 -7.121 268 1HG1 VAL 34 1HG1 VAL 34 -9.382 -0.270 -6.669 269 2HG1 VAL 34 2HG1 VAL 34 -9.646 1.350 -7.314 270 3HG1 VAL 34 3HG1 VAL 34 -9.329 1.126 -5.594 271 1HG2 VAL 34 1HG2 VAL 34 -6.503 2.519 -7.752 272 2HG2 VAL 34 2HG2 VAL 34 -8.235 2.545 -8.081 273 3HG2 VAL 34 3HG2 VAL 34 -7.200 1.377 -8.901 274 H TYR 35 H TYR 35 -7.467 1.965 -3.148 275 HA TYR 35 HA TYR 35 -7.135 -0.785 -2.122 276 1HB TYR 35 1HB TYR 35 -6.248 1.129 -0.898 277 2HB TYR 35 2HB TYR 35 -7.834 1.892 -0.872 278 HD1 TYR 35 1HD TYR 35 -7.082 -1.719 -0.370 279 HD2 TYR 35 2HD TYR 35 -8.275 1.979 1.464 280 HE1 TYR 35 1HE TYR 35 -7.620 -2.931 1.725 281 HE2 TYR 35 2HE TYR 35 -8.816 0.764 3.559 282 HH TYR 35 HH TYR 35 -8.967 -1.216 4.546 283 H GLY 36 H GLY 36 -8.871 -1.995 -1.188 284 1HA GLY 36 1HA GLY 36 -11.528 -1.344 -2.275 285 2HA GLY 36 2HA GLY 36 -11.081 -2.842 -1.461 286 H ALA 37 H ALA 37 -9.890 -0.453 0.463 287 HA ALA 37 HA ALA 37 -10.700 0.705 2.375 288 1HB ALA 37 1HB ALA 37 -12.946 1.372 2.363 289 2HB ALA 37 2HB ALA 37 -13.489 -0.139 1.633 290 3HB ALA 37 3HB ALA 37 -12.651 1.063 0.652 291 H CYS 38 H CYS 38 -11.128 -2.578 1.686 292 HA CYS 38 HA CYS 38 -11.602 -3.151 4.582 293 1HB CYS 38 1HB CYS 38 -12.989 -5.125 3.680 294 2HB CYS 38 2HB CYS 38 -13.712 -3.524 3.529 295 H ARG 39 H ARG 39 -10.866 -5.427 5.124 296 HA ARG 39 HA ARG 39 -9.038 -6.939 5.185 297 1HB ARG 39 1HB ARG 39 -10.188 -6.865 2.415 298 2HB ARG 39 2HB ARG 39 -8.754 -7.851 2.705 299 1HG ARG 39 1HG ARG 39 -9.947 -9.412 3.830 300 2HG ARG 39 2HG ARG 39 -10.776 -8.187 4.792 301 1HD ARG 39 1HD ARG 39 -12.501 -7.937 3.199 302 2HD ARG 39 2HD ARG 39 -11.516 -8.625 1.893 303 HE ARG 39 HE ARG 39 -11.673 -10.651 3.801 304 1HH1 ARG 39 1HH2 ARG 39 -13.653 -8.988 1.553 305 2HH1 ARG 39 2HH2 ARG 39 -15.004 -10.055 1.734 306 1HH2 ARG 39 1HH1 ARG 39 -13.529 -11.926 4.254 307 2HH2 ARG 39 2HH1 ARG 39 -14.932 -11.721 3.261 308 H ALA 40 H ALA 40 -8.018 -4.406 5.315 309 HA ALA 40 HA ALA 40 -6.202 -3.735 3.154 310 1HB ALA 40 1HB ALA 40 -5.310 -2.555 5.529 311 2HB ALA 40 2HB ALA 40 -7.042 -2.772 5.775 312 3HB ALA 40 3HB ALA 40 -6.457 -1.854 4.388 313 H LYS 41 H LYS 41 -3.850 -3.870 3.261 314 HA LYS 41 HA LYS 41 -2.857 -6.123 4.982 315 1HB LYS 41 1HB LYS 41 -1.932 -5.232 2.232 316 2HB LYS 41 2HB LYS 41 -1.442 -6.698 3.083 317 1HG LYS 41 1HG LYS 41 -4.064 -7.124 3.143 318 2HG LYS 41 2HG LYS 41 -4.043 -6.052 1.743 319 1HD LYS 41 1HD LYS 41 -3.738 -8.133 0.733 320 2HD LYS 41 2HD LYS 41 -2.067 -7.611 0.955 321 1HE LYS 41 1HE LYS 41 -1.757 -9.038 2.825 322 2HE LYS 41 2HE LYS 41 -3.503 -9.237 3.067 323 1HZ LYS 41 1HZ LYS 41 -3.238 -10.025 0.534 324 2HZ LYS 41 2HZ LYS 41 -3.147 -11.098 1.849 325 3HZ LYS 41 3HZ LYS 41 -1.725 -10.504 1.133 326 H ARG 42 H ARG 42 -0.112 -5.779 4.417 327 HA ARG 42 HA ARG 42 0.499 -3.459 6.109 328 1HB ARG 42 1HB ARG 42 2.409 -5.316 4.663 329 2HB ARG 42 2HB ARG 42 2.712 -4.395 6.132 330 1HG ARG 42 1HG ARG 42 1.188 -5.755 7.399 331 2HG ARG 42 2HG ARG 42 0.587 -6.546 5.941 332 1HD ARG 42 1HD ARG 42 3.516 -6.740 6.298 333 2HD ARG 42 2HD ARG 42 2.563 -7.585 7.535 334 HE ARG 42 HE ARG 42 1.403 -8.099 4.975 335 1HH1 ARG 42 1HH2 ARG 42 4.137 -8.828 6.954 336 2HH1 ARG 42 2HH2 ARG 42 4.505 -10.304 6.126 337 1HH2 ARG 42 1HH1 ARG 42 1.924 -9.982 3.835 338 2HH2 ARG 42 2HH1 ARG 42 3.257 -10.954 4.360 339 H ASN 43 H ASN 43 0.587 -4.245 2.691 340 HA ASN 43 HA ASN 43 2.202 -1.829 2.070 341 1HB ASN 43 1HB ASN 43 2.166 -4.288 0.990 342 2HB ASN 43 2HB ASN 43 0.911 -3.552 -0.008 343 1HD2 ASN 43 1HD2 ASN 43 3.072 -4.171 -1.486 344 2HD2 ASN 43 2HD2 ASN 43 4.057 -2.824 -1.791 345 H ASN 44 H ASN 44 -0.041 -1.020 3.294 346 HA ASN 44 HA ASN 44 -1.628 0.244 1.114 347 1HB ASN 44 1HB ASN 44 -2.795 -1.823 1.786 348 2HB ASN 44 2HB ASN 44 -2.703 -1.341 3.478 349 1HD2 ASN 44 1HD2 ASN 44 -5.224 -1.840 2.311 350 2HD2 ASN 44 2HD2 ASN 44 -6.077 -0.369 2.162 351 H PHE 45 H PHE 45 -0.097 1.970 2.027 352 HA PHE 45 HA PHE 45 -0.778 2.972 4.732 353 1HB PHE 45 1HB PHE 45 1.130 4.161 2.711 354 2HB PHE 45 2HB PHE 45 1.208 4.255 4.469 355 HD1 PHE 45 1HD PHE 45 1.971 2.247 1.515 356 HD2 PHE 45 2HD PHE 45 1.830 2.229 5.807 357 HE1 PHE 45 1HE PHE 45 3.365 0.197 1.549 358 HE2 PHE 45 2HE PHE 45 3.226 0.178 5.842 359 HZ PHE 45 HZ PHE 45 3.992 -0.843 3.711 360 H LYS 46 H LYS 46 -1.275 5.325 4.982 361 HA LYS 46 HA LYS 46 -3.275 6.174 2.968 362 1HB LYS 46 1HB LYS 46 -2.467 7.390 5.630 363 2HB LYS 46 2HB LYS 46 -3.959 7.698 4.739 364 1HG LYS 46 1HG LYS 46 -4.901 5.706 5.374 365 2HG LYS 46 2HG LYS 46 -3.357 4.854 5.360 366 1HD LYS 46 1HD LYS 46 -3.015 5.243 7.562 367 2HD LYS 46 2HD LYS 46 -3.473 6.939 7.412 368 1HE LYS 46 1HE LYS 46 -5.723 6.499 7.865 369 2HE LYS 46 2HE LYS 46 -5.618 4.830 7.265 370 1HZ LYS 46 1HZ LYS 46 -5.550 5.407 9.844 371 2HZ LYS 46 2HZ LYS 46 -3.895 5.587 9.508 372 3HZ LYS 46 3HZ LYS 46 -4.671 4.109 9.193 373 H SER 47 H SER 47 -0.011 6.814 3.806 374 HA SER 47 HA SER 47 0.034 9.106 1.901 375 1HB SER 47 1HB SER 47 1.165 10.512 3.506 376 2HB SER 47 2HB SER 47 -0.281 9.885 4.290 377 HG SER 47 HG SER 47 2.395 9.220 4.711 378 H ALA 48 H ALA 48 2.251 9.571 1.160 379 HA ALA 48 HA ALA 48 3.801 7.186 0.676 380 1HB ALA 48 1HB ALA 48 3.562 9.825 -0.278 381 2HB ALA 48 2HB ALA 48 4.624 8.570 -0.917 382 3HB ALA 48 3HB ALA 48 5.223 9.694 0.303 383 H GLU 49 H GLU 49 3.821 9.607 3.178 384 HA GLU 49 HA GLU 49 6.558 9.180 4.075 385 1HB GLU 49 1HB GLU 49 4.126 10.281 5.520 386 2HB GLU 49 2HB GLU 49 5.815 10.571 5.943 387 1HG GLU 49 1HG GLU 49 6.131 12.048 4.207 388 2HG GLU 49 2HG GLU 49 4.997 11.208 3.150 389 H ASP 50 H ASP 50 3.463 7.648 4.674 390 HA ASP 50 HA ASP 50 4.372 6.205 7.070 391 1HB ASP 50 1HB ASP 50 1.929 6.182 5.283 392 2HB ASP 50 2HB ASP 50 2.111 5.050 6.624 393 H CYS 51 H CYS 51 4.083 5.661 3.609 394 HA CYS 51 HA CYS 51 4.516 2.786 3.698 395 1HB CYS 51 1HB CYS 51 3.381 3.802 1.831 396 2HB CYS 51 2HB CYS 51 4.701 4.941 1.571 397 H MET 52 H MET 52 6.575 5.630 3.040 398 HA MET 52 HA MET 52 8.990 4.163 2.516 399 1HB MET 52 1HB MET 52 8.219 6.669 2.160 400 2HB MET 52 2HB MET 52 8.942 6.898 3.751 401 1HG MET 52 1HG MET 52 10.922 7.089 2.673 402 2HG MET 52 2HG MET 52 10.816 5.353 2.383 403 1HE MET 52 1HE MET 52 12.057 5.147 0.226 404 2HE MET 52 2HE MET 52 12.559 6.808 0.532 405 3HE MET 52 3HE MET 52 12.004 6.344 -1.074 406 H ARG 53 H ARG 53 8.032 5.990 5.463 407 HA ARG 53 HA ARG 53 10.153 5.242 7.136 408 1HB ARG 53 1HB ARG 53 8.684 5.904 8.906 409 2HB ARG 53 2HB ARG 53 8.184 6.844 7.500 410 1HG ARG 53 1HG ARG 53 6.107 6.030 7.865 411 2HG ARG 53 2HG ARG 53 6.720 4.485 7.274 412 1HD ARG 53 1HD ARG 53 6.130 3.699 9.343 413 2HD ARG 53 2HD ARG 53 7.596 4.524 9.910 414 HE ARG 53 HE ARG 53 4.819 5.580 10.080 415 1HH1 ARG 53 1HH2 ARG 53 6.584 7.831 9.346 416 2HH1 ARG 53 2HH2 ARG 53 7.156 8.391 10.882 417 1HH2 ARG 53 1HH1 ARG 53 6.257 5.500 12.570 418 2HH2 ARG 53 2HH1 ARG 53 6.970 7.074 12.707 419 H THR 54 H THR 54 7.542 3.274 5.941 420 HA THR 54 HA THR 54 8.126 1.126 7.927 421 HB THR 54 HB THR 54 5.918 1.784 5.982 422 HG1 THR 54 1HG THR 54 4.842 1.157 8.114 423 1HG2 THR 54 1HG2 THR 54 6.414 -0.604 5.658 424 2HG2 THR 54 2HG2 THR 54 4.881 -0.393 6.504 425 3HG2 THR 54 3HG2 THR 54 6.324 -0.864 7.401 426 H CYS 55 H CYS 55 8.069 1.763 4.422 427 HA CYS 55 HA CYS 55 9.267 -0.902 3.880 428 1HB CYS 55 1HB CYS 55 8.337 1.350 2.069 429 2HB CYS 55 2HB CYS 55 8.777 -0.274 1.543 430 H GLY 56 H GLY 56 9.957 2.565 3.313 431 1HA GLY 56 1HA GLY 56 12.471 2.273 2.058 432 2HA GLY 56 2HA GLY 56 12.008 3.670 3.031 433 H GLY 57 H GLY 57 13.996 0.899 2.886 434 1HA GLY 57 1HA GLY 57 15.661 1.514 5.012 435 2HA GLY 57 2HA GLY 57 14.380 0.548 5.747 436 H ALA 58 H ALA 58 16.470 0.456 2.835 437 HA ALA 58 HA ALA 58 16.763 -2.497 3.291 438 1HB ALA 58 1HB ALA 58 16.912 -0.901 0.712 439 2HB ALA 58 2HB ALA 58 15.470 -1.746 1.276 440 3HB ALA 58 3HB ALA 58 16.921 -2.658 0.858 Start of MODEL 3 1 1H ARG 1 1H ARG 1 14.097 -6.303 4.815 2 2H ARG 1 2H ARG 1 14.106 -6.300 6.514 3 3H ARG 1 3H ARG 1 14.565 -4.907 5.657 4 HA ARG 1 HA ARG 1 12.282 -4.773 6.608 5 1HB ARG 1 1HB ARG 1 11.487 -3.726 4.566 6 2HB ARG 1 2HB ARG 1 13.236 -3.533 4.617 7 1HG ARG 1 1HG ARG 1 13.583 -5.228 3.000 8 2HG ARG 1 2HG ARG 1 11.955 -5.875 3.205 9 1HD ARG 1 1HD ARG 1 11.099 -4.411 1.681 10 2HD ARG 1 2HD ARG 1 11.961 -3.042 2.412 11 HE ARG 1 HE ARG 1 12.878 -4.606 0.146 12 1HH1 ARG 1 1HH2 ARG 1 13.619 -2.189 2.396 13 2HH1 ARG 1 2HH2 ARG 1 15.325 -2.206 2.097 14 1HH2 ARG 1 1HH1 ARG 1 15.201 -4.972 0.009 15 2HH2 ARG 1 2HH1 ARG 1 16.220 -3.781 0.745 16 HA PRO 2 HA PRO 2 9.530 -8.155 6.111 17 1HB PRO 2 1HB PRO 2 7.160 -6.917 5.484 18 2HB PRO 2 2HB PRO 2 7.851 -6.944 7.115 19 1HG PRO 2 1HG PRO 2 7.994 -4.814 5.013 20 2HG PRO 2 2HG PRO 2 7.672 -4.653 6.748 21 1HD PRO 2 1HD PRO 2 10.091 -4.131 5.689 22 2HD PRO 2 2HD PRO 2 9.921 -4.869 7.297 23 H ASP 3 H ASP 3 8.283 -9.377 4.519 24 HA ASP 3 HA ASP 3 9.222 -8.888 1.775 25 1HB ASP 3 1HB ASP 3 8.128 -11.064 3.430 26 2HB ASP 3 2HB ASP 3 7.562 -11.094 1.760 27 H PHE 4 H PHE 4 6.305 -8.372 3.641 28 HA PHE 4 HA PHE 4 4.435 -8.444 1.447 29 1HB PHE 4 1HB PHE 4 2.935 -7.360 2.997 30 2HB PHE 4 2HB PHE 4 3.908 -8.516 3.900 31 HD1 PHE 4 1HD PHE 4 4.842 -7.826 5.890 32 HD2 PHE 4 2HD PHE 4 4.028 -4.870 2.874 33 HE1 PHE 4 1HE PHE 4 5.595 -6.036 7.430 34 HE2 PHE 4 2HE PHE 4 4.785 -3.100 4.415 35 HZ PHE 4 HZ PHE 4 5.562 -3.671 6.686 36 H CYS 5 H CYS 5 6.834 -6.148 2.379 37 HA CYS 5 HA CYS 5 5.652 -3.798 1.166 38 1HB CYS 5 1HB CYS 5 8.325 -4.723 2.159 39 2HB CYS 5 2HB CYS 5 8.255 -3.253 1.190 40 H LEU 6 H LEU 6 7.629 -6.482 0.005 41 HA LEU 6 HA LEU 6 8.225 -5.240 -2.581 42 1HB LEU 6 1HB LEU 6 8.405 -8.149 -1.748 43 2HB LEU 6 2HB LEU 6 9.348 -7.330 -2.995 44 HG LEU 6 HG LEU 6 9.441 -6.691 -0.030 45 1HD1 LEU 6 1HD1 LEU 6 11.886 -7.560 -0.506 46 2HD1 LEU 6 2HD1 LEU 6 11.102 -8.418 -1.832 47 3HD1 LEU 6 3HD1 LEU 6 10.591 -8.708 -0.169 48 1HD2 LEU 6 1HD2 LEU 6 10.027 -4.699 -1.121 49 2HD2 LEU 6 2HD2 LEU 6 10.762 -5.547 -2.481 50 3HD2 LEU 6 3HD2 LEU 6 11.592 -5.489 -0.927 51 H GLU 7 H GLU 7 5.584 -6.988 -1.224 52 HA GLU 7 HA GLU 7 4.616 -8.142 -3.738 53 1HB GLU 7 1HB GLU 7 3.688 -7.850 -0.896 54 2HB GLU 7 2HB GLU 7 2.528 -8.346 -2.129 55 1HG GLU 7 1HG GLU 7 3.686 -10.331 -2.594 56 2HG GLU 7 2HG GLU 7 5.206 -9.710 -1.949 57 HA PRO 8 HA PRO 8 2.336 -4.704 -5.223 58 1HB PRO 8 1HB PRO 8 0.068 -5.906 -6.192 59 2HB PRO 8 2HB PRO 8 1.647 -6.017 -6.995 60 1HG PRO 8 1HG PRO 8 0.262 -7.978 -5.220 61 2HG PRO 8 2HG PRO 8 1.204 -8.262 -6.692 62 1HD PRO 8 1HD PRO 8 2.179 -8.649 -4.169 63 2HD PRO 8 2HD PRO 8 3.202 -8.219 -5.559 64 HA PRO 9 HA PRO 9 -0.646 -3.397 -2.288 65 1HB PRO 9 1HB PRO 9 -2.427 -1.971 -3.808 66 2HB PRO 9 2HB PRO 9 -0.805 -1.384 -3.396 67 1HG PRO 9 1HG PRO 9 -1.819 -2.599 -5.918 68 2HG PRO 9 2HG PRO 9 -0.638 -1.301 -5.683 69 1HD PRO 9 1HD PRO 9 0.010 -3.905 -6.282 70 2HD PRO 9 2HD PRO 9 1.096 -2.768 -5.454 71 H TYR 10 H TYR 10 -3.102 -3.433 -1.791 72 HA TYR 10 HA TYR 10 -4.439 -5.766 -3.142 73 1HB TYR 10 1HB TYR 10 -3.267 -6.211 -0.917 74 2HB TYR 10 2HB TYR 10 -4.450 -5.131 -0.180 75 HD1 TYR 10 1HD TYR 10 -4.632 -7.813 -2.810 76 HD2 TYR 10 2HD TYR 10 -6.107 -6.320 0.939 77 HE1 TYR 10 1HE TYR 10 -6.268 -9.676 -2.709 78 HE2 TYR 10 2HE TYR 10 -7.742 -8.181 1.039 79 HH TYR 10 HH TYR 10 -8.688 -9.858 -0.120 80 H THR 11 H THR 11 -5.878 -4.397 -4.293 81 HA THR 11 HA THR 11 -7.324 -2.186 -3.318 82 HB THR 11 HB THR 11 -7.796 -4.382 -5.326 83 HG1 THR 11 1HG THR 11 -6.504 -2.273 -5.460 84 1HG2 THR 11 1HG2 THR 11 -9.820 -2.812 -6.001 85 2HG2 THR 11 2HG2 THR 11 -9.820 -2.436 -4.279 86 3HG2 THR 11 3HG2 THR 11 -10.043 -4.100 -4.818 87 H GLY 12 H GLY 12 -7.554 -5.572 -2.575 88 1HA GLY 12 1HA GLY 12 -8.786 -6.655 -0.881 89 2HA GLY 12 2HA GLY 12 -9.352 -5.070 -0.352 90 HA PRO 13 HA PRO 13 -12.525 -7.442 -3.005 91 1HB PRO 13 1HB PRO 13 -13.836 -8.910 -1.100 92 2HB PRO 13 2HB PRO 13 -12.473 -9.542 -2.045 93 1HG PRO 13 1HG PRO 13 -12.547 -8.493 0.743 94 2HG PRO 13 2HG PRO 13 -11.618 -9.841 0.070 95 1HD PRO 13 1HD PRO 13 -10.591 -7.341 0.587 96 2HD PRO 13 2HD PRO 13 -9.916 -8.472 -0.608 97 H CYS 14 H CYS 14 -13.418 -5.292 -3.082 98 HA CYS 14 HA CYS 14 -15.693 -4.864 -1.237 99 1HB CYS 14 1HB CYS 14 -13.136 -3.310 -1.316 100 2HB CYS 14 2HB CYS 14 -14.632 -2.416 -1.044 101 H LYS 15 H LYS 15 -16.254 -2.225 -1.981 102 HA LYS 15 HA LYS 15 -16.459 -2.378 -4.970 103 1HB LYS 15 1HB LYS 15 -18.726 -1.065 -4.278 104 2HB LYS 15 2HB LYS 15 -18.654 -2.816 -4.443 105 1HG LYS 15 1HG LYS 15 -17.975 -1.565 -1.798 106 2HG LYS 15 2HG LYS 15 -19.667 -1.748 -2.261 107 1HD LYS 15 1HD LYS 15 -19.007 -4.201 -2.831 108 2HD LYS 15 2HD LYS 15 -17.587 -3.888 -1.833 109 1HE LYS 15 1HE LYS 15 -19.966 -2.926 -0.488 110 2HE LYS 15 2HE LYS 15 -20.152 -4.637 -0.924 111 1HZ LYS 15 1HZ LYS 15 -17.902 -3.363 0.548 112 2HZ LYS 15 2HZ LYS 15 -17.832 -4.943 -0.072 113 3HZ LYS 15 3HZ LYS 15 -18.968 -4.548 1.129 114 H ALA 16 H ALA 16 -15.407 -0.595 -2.302 115 HA ALA 16 HA ALA 16 -15.878 2.081 -3.424 116 1HB ALA 16 1HB ALA 16 -14.606 0.831 -1.020 117 2HB ALA 16 2HB ALA 16 -15.817 2.110 -1.104 118 3HB ALA 16 3HB ALA 16 -14.125 2.475 -1.441 119 H ARG 17 H ARG 17 -13.621 3.464 -3.346 120 HA ARG 17 HA ARG 17 -11.383 1.952 -4.550 121 1HB ARG 17 1HB ARG 17 -13.328 3.690 -6.004 122 2HB ARG 17 2HB ARG 17 -11.634 3.788 -6.488 123 1HG ARG 17 1HG ARG 17 -11.773 1.162 -6.465 124 2HG ARG 17 2HG ARG 17 -13.509 1.441 -6.603 125 1HD ARG 17 1HD ARG 17 -11.407 2.583 -8.485 126 2HD ARG 17 2HD ARG 17 -12.474 1.210 -8.846 127 HE ARG 17 HE ARG 17 -14.361 2.943 -8.264 128 1HH1 ARG 17 1HH2 ARG 17 -13.564 3.065 -11.099 129 2HH1 ARG 17 2HH2 ARG 17 -13.127 4.727 -11.311 130 1HH2 ARG 17 1HH1 ARG 17 -12.823 5.359 -7.916 131 2HH2 ARG 17 2HH1 ARG 17 -12.708 6.026 -9.509 132 H ILE 18 H ILE 18 -10.549 2.944 -2.440 133 HA ILE 18 HA ILE 18 -10.088 5.868 -2.523 134 HB ILE 18 HB ILE 18 -9.506 3.625 -0.570 135 1HG1 ILE 18 1HG1 ILE 18 -11.348 6.037 -0.553 136 2HG1 ILE 18 2HG1 ILE 18 -11.832 4.345 -0.662 137 1HG2 ILE 18 1HG2 ILE 18 -8.903 5.632 0.961 138 2HG2 ILE 18 2HG2 ILE 18 -8.659 6.522 -0.541 139 3HG2 ILE 18 3HG2 ILE 18 -7.688 5.090 -0.197 140 1HD1 ILE 18 1HD1 ILE 18 -11.045 3.903 1.574 141 2HD1 ILE 18 2HD1 ILE 18 -12.037 5.359 1.651 142 3HD1 ILE 18 3HD1 ILE 18 -10.278 5.488 1.675 143 H ILE 19 H ILE 19 -7.789 6.638 -2.194 144 HA ILE 19 HA ILE 19 -5.936 5.011 -3.875 145 HB ILE 19 HB ILE 19 -5.977 7.946 -3.107 146 1HG1 ILE 19 1HG1 ILE 19 -7.856 7.424 -4.538 147 2HG1 ILE 19 2HG1 ILE 19 -6.627 8.201 -5.537 148 1HG2 ILE 19 1HG2 ILE 19 -4.455 6.942 -5.453 149 2HG2 ILE 19 2HG2 ILE 19 -3.786 6.556 -3.868 150 3HG2 ILE 19 3HG2 ILE 19 -4.058 8.237 -4.324 151 1HD1 ILE 19 1HD1 ILE 19 -7.495 5.332 -5.476 152 2HD1 ILE 19 2HD1 ILE 19 -5.823 5.698 -5.903 153 3HD1 ILE 19 3HD1 ILE 19 -7.145 6.365 -6.863 154 H ARG 20 H ARG 20 -5.071 3.648 -2.208 155 HA ARG 20 HA ARG 20 -3.784 4.958 0.134 156 1HB ARG 20 1HB ARG 20 -4.366 2.119 -0.731 157 2HB ARG 20 2HB ARG 20 -3.367 2.474 0.677 158 1HG ARG 20 1HG ARG 20 -6.125 3.660 0.325 159 2HG ARG 20 2HG ARG 20 -5.869 2.102 1.108 160 1HD ARG 20 1HD ARG 20 -5.224 3.121 3.029 161 2HD ARG 20 2HD ARG 20 -4.032 4.107 2.156 162 HE ARG 20 HE ARG 20 -6.925 4.833 1.990 163 1HH1 ARG 20 1HH2 ARG 20 -4.686 6.559 0.917 164 2HH1 ARG 20 2HH2 ARG 20 -4.535 7.749 2.166 165 1HH2 ARG 20 1HH1 ARG 20 -6.313 5.905 4.504 166 2HH2 ARG 20 2HH1 ARG 20 -5.455 7.379 4.198 167 H TYR 21 H TYR 21 -1.509 3.830 0.638 168 HA TYR 21 HA TYR 21 0.101 3.995 -1.891 169 1HB TYR 21 1HB TYR 21 0.607 4.758 0.988 170 2HB TYR 21 2HB TYR 21 1.917 4.638 -0.187 171 HD1 TYR 21 1HD TYR 21 2.205 6.279 -1.918 172 HD2 TYR 21 2HD TYR 21 -1.222 6.391 0.665 173 HE1 TYR 21 1HE TYR 21 1.654 8.551 -2.753 174 HE2 TYR 21 2HE TYR 21 -1.777 8.665 -0.169 175 HH TYR 21 HH TYR 21 -0.444 9.980 -2.937 176 H PHE 22 H PHE 22 1.836 2.523 -2.142 177 HA PHE 22 HA PHE 22 2.132 0.331 -0.152 178 1HB PHE 22 1HB PHE 22 1.640 -1.353 -1.767 179 2HB PHE 22 2HB PHE 22 0.373 -0.156 -1.954 180 HD1 PHE 22 1HD PHE 22 0.504 1.527 -3.827 181 HD2 PHE 22 2HD PHE 22 3.199 -1.807 -3.517 182 HE1 PHE 22 1HE PHE 22 1.139 1.818 -6.207 183 HE2 PHE 22 2HE PHE 22 3.835 -1.514 -5.897 184 HZ PHE 22 HZ PHE 22 2.804 0.298 -7.243 185 H TYR 23 H TYR 23 4.188 -0.751 -0.402 186 HA TYR 23 HA TYR 23 6.302 0.991 -1.408 187 1HB TYR 23 1HB TYR 23 6.549 -0.391 0.607 188 2HB TYR 23 2HB TYR 23 6.318 -1.859 -0.350 189 HD1 TYR 23 1HD TYR 23 8.306 1.286 -0.857 190 HD2 TYR 23 2HD TYR 23 8.368 -2.991 -0.619 191 HE1 TYR 23 1HE TYR 23 10.718 1.292 -1.427 192 HE2 TYR 23 2HE TYR 23 10.777 -2.991 -1.182 193 HH TYR 23 HH TYR 23 12.503 0.056 -1.848 194 H ASN 24 H ASN 24 6.280 1.110 -3.719 195 HA ASN 24 HA ASN 24 5.961 -1.275 -5.370 196 1HB ASN 24 1HB ASN 24 5.352 1.025 -6.087 197 2HB ASN 24 2HB ASN 24 7.044 1.498 -5.985 198 1HD2 ASN 24 1HD2 ASN 24 5.391 1.486 -8.441 199 2HD2 ASN 24 2HD2 ASN 24 6.124 0.393 -9.512 200 H ALA 25 H ALA 25 7.752 -2.415 -4.015 201 HA ALA 25 HA ALA 25 10.454 -1.730 -4.003 202 1HB ALA 25 1HB ALA 25 9.620 -3.684 -2.883 203 2HB ALA 25 2HB ALA 25 10.767 -4.260 -4.095 204 3HB ALA 25 3HB ALA 25 9.032 -4.374 -4.396 205 H LYS 26 H LYS 26 8.452 -2.652 -6.700 206 HA LYS 26 HA LYS 26 10.584 -3.304 -8.554 207 1HB LYS 26 1HB LYS 26 7.710 -3.112 -8.448 208 2HB LYS 26 2HB LYS 26 8.286 -2.248 -9.874 209 1HG LYS 26 1HG LYS 26 9.624 -4.250 -10.506 210 2HG LYS 26 2HG LYS 26 8.966 -5.106 -9.111 211 1HD LYS 26 1HD LYS 26 7.616 -5.748 -10.984 212 2HD LYS 26 2HD LYS 26 6.652 -4.596 -10.060 213 1HE LYS 26 1HE LYS 26 6.512 -3.980 -12.417 214 2HE LYS 26 2HE LYS 26 7.537 -2.777 -11.609 215 1HZ LYS 26 1HZ LYS 26 8.680 -5.257 -12.746 216 2HZ LYS 26 2HZ LYS 26 9.463 -3.790 -12.399 217 3HZ LYS 26 3HZ LYS 26 8.419 -3.904 -13.735 218 H ALA 27 H ALA 27 8.961 -0.355 -7.488 219 HA ALA 27 HA ALA 27 10.360 1.299 -9.518 220 1HB ALA 27 1HB ALA 27 8.009 1.733 -8.984 221 2HB ALA 27 2HB ALA 27 8.983 3.091 -8.419 222 3HB ALA 27 3HB ALA 27 8.399 1.885 -7.271 223 H GLY 28 H GLY 28 10.653 0.299 -6.195 224 1HA GLY 28 1HA GLY 28 12.687 0.545 -4.927 225 2HA GLY 28 2HA GLY 28 13.133 1.905 -5.953 226 H LEU 29 H LEU 29 9.904 2.225 -5.105 227 HA LEU 29 HA LEU 29 10.434 3.566 -2.518 228 1HB LEU 29 1HB LEU 29 9.589 5.707 -3.401 229 2HB LEU 29 2HB LEU 29 10.998 5.181 -4.321 230 HG LEU 29 HG LEU 29 8.549 4.079 -5.434 231 1HD1 LEU 29 1HD1 LEU 29 8.254 6.678 -4.385 232 2HD1 LEU 29 2HD1 LEU 29 7.186 5.871 -5.535 233 3HD1 LEU 29 3HD1 LEU 29 8.499 6.894 -6.118 234 1HD2 LEU 29 1HD2 LEU 29 9.875 4.259 -7.249 235 2HD2 LEU 29 2HD2 LEU 29 11.094 5.043 -6.244 236 3HD2 LEU 29 3HD2 LEU 29 9.893 6.015 -7.094 237 H CYS 30 H CYS 30 7.869 5.089 -3.049 238 HA CYS 30 HA CYS 30 5.964 2.785 -2.798 239 1HB CYS 30 1HB CYS 30 6.109 5.415 -1.294 240 2HB CYS 30 2HB CYS 30 4.793 4.255 -1.134 241 H GLN 31 H GLN 31 3.921 3.095 -3.741 242 HA GLN 31 HA GLN 31 3.475 5.646 -5.238 243 1HB GLN 31 1HB GLN 31 3.604 2.798 -6.197 244 2HB GLN 31 2HB GLN 31 2.548 3.940 -7.030 245 1HG GLN 31 1HG GLN 31 4.616 5.495 -7.096 246 2HG GLN 31 2HG GLN 31 5.548 4.053 -6.694 247 1HE2 GLN 31 1HE2 GLN 31 6.523 3.495 -8.676 248 2HE2 GLN 31 2HE2 GLN 31 5.675 3.266 -10.128 249 H THR 32 H THR 32 1.050 5.477 -6.145 250 HA THR 32 HA THR 32 -0.605 4.669 -3.801 251 HB THR 32 HB THR 32 -2.259 6.158 -5.215 252 HG1 THR 32 1HG THR 32 -0.696 7.731 -6.295 253 1HG2 THR 32 1HG2 THR 32 -0.894 6.661 -3.043 254 2HG2 THR 32 2HG2 THR 32 -1.575 8.008 -3.956 255 3HG2 THR 32 3HG2 THR 32 0.135 7.608 -4.119 256 H PHE 33 H PHE 33 -2.345 3.274 -4.036 257 HA PHE 33 HA PHE 33 -2.829 2.112 -6.752 258 1HB PHE 33 1HB PHE 33 -2.685 -0.090 -5.850 259 2HB PHE 33 2HB PHE 33 -1.308 0.769 -5.177 260 HD1 PHE 33 1HD PHE 33 -4.620 -0.661 -4.470 261 HD2 PHE 33 2HD PHE 33 -1.230 1.394 -2.808 262 HE1 PHE 33 1HE PHE 33 -5.425 -1.177 -2.182 263 HE2 PHE 33 2HE PHE 33 -2.044 0.890 -0.527 264 HZ PHE 33 HZ PHE 33 -4.137 -0.401 -0.211 265 H VAL 34 H VAL 34 -4.991 1.035 -6.855 266 HA VAL 34 HA VAL 34 -7.018 2.713 -5.624 267 HB VAL 34 HB VAL 34 -7.156 0.168 -7.272 268 1HG1 VAL 34 1HG1 VAL 34 -9.408 1.902 -7.604 269 2HG1 VAL 34 2HG1 VAL 34 -9.192 1.607 -5.879 270 3HG1 VAL 34 3HG1 VAL 34 -9.386 0.249 -6.988 271 1HG2 VAL 34 1HG2 VAL 34 -6.997 1.487 -9.145 272 2HG2 VAL 34 2HG2 VAL 34 -6.108 2.543 -8.045 273 3HG2 VAL 34 3HG2 VAL 34 -7.812 2.850 -8.378 274 H TYR 35 H TYR 35 -7.056 2.379 -3.368 275 HA TYR 35 HA TYR 35 -7.158 -0.314 -2.220 276 1HB TYR 35 1HB TYR 35 -6.106 1.550 -1.047 277 2HB TYR 35 2HB TYR 35 -7.596 2.487 -1.129 278 HD1 TYR 35 1HD TYR 35 -7.212 -1.151 -0.407 279 HD2 TYR 35 2HD TYR 35 -8.191 2.730 1.157 280 HE1 TYR 35 1HE TYR 35 -7.994 -2.198 1.704 281 HE2 TYR 35 2HE TYR 35 -8.970 1.684 3.266 282 HH TYR 35 HH TYR 35 -9.830 -1.295 3.630 283 H GLY 36 H GLY 36 -9.053 -1.321 -1.387 284 1HA GLY 36 1HA GLY 36 -11.580 -0.410 -2.572 285 2HA GLY 36 2HA GLY 36 -11.340 -1.903 -1.665 286 H ALA 37 H ALA 37 -9.950 0.507 0.125 287 HA ALA 37 HA ALA 37 -10.690 1.907 1.899 288 1HB ALA 37 1HB ALA 37 -12.787 2.782 1.690 289 2HB ALA 37 2HB ALA 37 -13.541 1.192 1.580 290 3HB ALA 37 3HB ALA 37 -12.793 1.914 0.156 291 H CYS 38 H CYS 38 -11.924 -1.363 1.469 292 HA CYS 38 HA CYS 38 -11.820 -1.714 4.439 293 1HB CYS 38 1HB CYS 38 -13.584 -3.635 3.597 294 2HB CYS 38 2HB CYS 38 -14.069 -2.053 4.190 295 H ARG 39 H ARG 39 -11.504 -4.119 4.982 296 HA ARG 39 HA ARG 39 -10.152 -6.047 4.820 297 1HB ARG 39 1HB ARG 39 -10.928 -5.478 1.950 298 2HB ARG 39 2HB ARG 39 -10.045 -6.929 2.422 299 1HG ARG 39 1HG ARG 39 -12.518 -6.232 3.952 300 2HG ARG 39 2HG ARG 39 -12.712 -6.898 2.330 301 1HD ARG 39 1HD ARG 39 -11.634 -8.928 2.917 302 2HD ARG 39 2HD ARG 39 -10.892 -8.213 4.362 303 HE ARG 39 HE ARG 39 -13.796 -8.053 4.426 304 1HH1 ARG 39 1HH2 ARG 39 -11.912 -8.654 6.744 305 2HH1 ARG 39 2HH2 ARG 39 -12.332 -10.297 7.100 306 1HH2 ARG 39 1HH1 ARG 39 -13.986 -10.803 4.095 307 2HH2 ARG 39 2HH1 ARG 39 -13.506 -11.514 5.600 308 H ALA 40 H ALA 40 -8.849 -3.383 4.803 309 HA ALA 40 HA ALA 40 -6.690 -3.352 2.877 310 1HB ALA 40 1HB ALA 40 -5.919 -1.968 5.195 311 2HB ALA 40 2HB ALA 40 -7.679 -1.864 5.172 312 3HB ALA 40 3HB ALA 40 -6.744 -1.284 3.794 313 H LYS 41 H LYS 41 -4.377 -3.715 3.454 314 HA LYS 41 HA LYS 41 -3.980 -5.647 5.706 315 1HB LYS 41 1HB LYS 41 -3.039 -5.924 2.832 316 2HB LYS 41 2HB LYS 41 -2.675 -7.053 4.137 317 1HG LYS 41 1HG LYS 41 -5.056 -7.548 4.411 318 2HG LYS 41 2HG LYS 41 -5.468 -6.351 3.184 319 1HD LYS 41 1HD LYS 41 -5.498 -8.453 2.056 320 2HD LYS 41 2HD LYS 41 -3.973 -7.695 1.593 321 1HE LYS 41 1HE LYS 41 -3.139 -9.004 3.803 322 2HE LYS 41 2HE LYS 41 -4.458 -10.084 3.310 323 1HZ LYS 41 1HZ LYS 41 -2.041 -10.202 2.233 324 2HZ LYS 41 2HZ LYS 41 -2.721 -9.030 1.210 325 3HZ LYS 41 3HZ LYS 41 -3.442 -10.561 1.347 326 H ARG 42 H ARG 42 -1.266 -6.157 5.151 327 HA ARG 42 HA ARG 42 0.014 -3.845 6.275 328 1HB ARG 42 1HB ARG 42 1.986 -5.213 6.105 329 2HB ARG 42 2HB ARG 42 0.656 -6.287 6.490 330 1HG ARG 42 1HG ARG 42 0.480 -6.393 3.828 331 2HG ARG 42 2HG ARG 42 2.192 -6.006 3.960 332 1HD ARG 42 1HD ARG 42 1.860 -8.469 3.974 333 2HD ARG 42 2HD ARG 42 2.441 -7.936 5.563 334 HE ARG 42 HE ARG 42 -0.485 -7.977 5.183 335 1HH1 ARG 42 1HH2 ARG 42 2.075 -8.671 7.229 336 2HH1 ARG 42 2HH2 ARG 42 1.367 -10.088 7.928 337 1HH2 ARG 42 1HH1 ARG 42 -1.289 -10.188 5.701 338 2HH2 ARG 42 2HH1 ARG 42 -0.538 -10.945 7.066 339 H ASN 43 H ASN 43 -0.304 -4.986 2.912 340 HA ASN 43 HA ASN 43 1.591 -2.903 1.989 341 1HB ASN 43 1HB ASN 43 1.193 -5.371 1.118 342 2HB ASN 43 2HB ASN 43 -0.097 -4.609 0.185 343 1HD2 ASN 43 1HD2 ASN 43 3.430 -4.294 0.876 344 2HD2 ASN 43 2HD2 ASN 43 3.820 -3.603 -0.625 345 H ASN 44 H ASN 44 -0.209 -1.457 3.143 346 HA ASN 44 HA ASN 44 -1.668 -0.091 0.993 347 1HB ASN 44 1HB ASN 44 -3.216 -1.895 1.557 348 2HB ASN 44 2HB ASN 44 -3.043 -1.555 3.277 349 1HD2 ASN 44 1HD2 ASN 44 -5.618 -1.497 2.157 350 2HD2 ASN 44 2HD2 ASN 44 -6.184 0.114 2.096 351 H PHE 45 H PHE 45 0.053 1.403 1.944 352 HA PHE 45 HA PHE 45 -0.414 2.395 4.671 353 1HB PHE 45 1HB PHE 45 1.416 3.464 2.501 354 2HB PHE 45 2HB PHE 45 1.617 3.615 4.248 355 HD1 PHE 45 1HD PHE 45 2.217 1.552 1.331 356 HD2 PHE 45 2HD PHE 45 2.022 1.497 5.623 357 HE1 PHE 45 1HE PHE 45 3.456 -0.599 1.357 358 HE2 PHE 45 2HE PHE 45 3.261 -0.655 5.651 359 HZ PHE 45 HZ PHE 45 3.976 -1.717 3.517 360 H LYS 46 H LYS 46 -1.569 4.224 5.171 361 HA LYS 46 HA LYS 46 -3.342 5.436 3.276 362 1HB LYS 46 1HB LYS 46 -2.376 6.527 5.934 363 2HB LYS 46 2HB LYS 46 -3.936 6.823 5.164 364 1HG LYS 46 1HG LYS 46 -4.109 4.180 5.246 365 2HG LYS 46 2HG LYS 46 -2.937 4.358 6.553 366 1HD LYS 46 1HD LYS 46 -4.431 5.783 7.795 367 2HD LYS 46 2HD LYS 46 -5.538 5.909 6.427 368 1HE LYS 46 1HE LYS 46 -6.213 3.619 6.646 369 2HE LYS 46 2HE LYS 46 -4.874 3.260 7.753 370 1HZ LYS 46 1HZ LYS 46 -5.811 4.629 9.402 371 2HZ LYS 46 2HZ LYS 46 -7.129 3.745 8.796 372 3HZ LYS 46 3HZ LYS 46 -6.893 5.359 8.320 373 H SER 47 H SER 47 -0.021 6.046 4.001 374 HA SER 47 HA SER 47 -0.061 8.377 2.160 375 1HB SER 47 1HB SER 47 1.090 9.772 3.806 376 2HB SER 47 2HB SER 47 -0.418 9.182 4.497 377 HG SER 47 HG SER 47 1.146 7.331 5.152 378 H ALA 48 H ALA 48 2.133 8.908 1.399 379 HA ALA 48 HA ALA 48 3.771 6.610 0.870 380 1HB ALA 48 1HB ALA 48 5.181 8.234 -0.230 381 2HB ALA 48 2HB ALA 48 4.539 9.543 0.762 382 3HB ALA 48 3HB ALA 48 3.514 8.769 -0.447 383 H GLU 49 H GLU 49 3.657 8.843 3.529 384 HA GLU 49 HA GLU 49 6.387 8.519 4.455 385 1HB GLU 49 1HB GLU 49 3.995 9.960 5.088 386 2HB GLU 49 2HB GLU 49 4.549 9.154 6.556 387 1HG GLU 49 1HG GLU 49 6.458 10.411 6.675 388 2HG GLU 49 2HG GLU 49 6.655 10.462 4.923 389 H ASP 50 H ASP 50 3.343 6.810 5.001 390 HA ASP 50 HA ASP 50 4.350 5.212 7.227 391 1HB ASP 50 1HB ASP 50 1.907 5.466 5.541 392 2HB ASP 50 2HB ASP 50 2.158 3.909 6.330 393 H CYS 51 H CYS 51 4.049 4.856 3.725 394 HA CYS 51 HA CYS 51 4.757 2.032 3.634 395 1HB CYS 51 1HB CYS 51 3.525 3.097 1.834 396 2HB CYS 51 2HB CYS 51 4.777 4.324 1.639 397 H MET 52 H MET 52 6.514 5.100 3.133 398 HA MET 52 HA MET 52 9.084 3.873 2.613 399 1HB MET 52 1HB MET 52 8.195 6.225 2.064 400 2HB MET 52 2HB MET 52 8.521 6.624 3.752 401 1HG MET 52 1HG MET 52 10.425 7.244 2.300 402 2HG MET 52 2HG MET 52 10.884 5.986 3.447 403 1HE MET 52 1HE MET 52 9.042 6.611 0.406 404 2HE MET 52 2HE MET 52 9.198 5.183 -0.616 405 3HE MET 52 3HE MET 52 10.385 6.479 -0.738 406 H ARG 53 H ARG 53 7.571 5.306 5.516 407 HA ARG 53 HA ARG 53 9.760 4.967 7.310 408 1HB ARG 53 1HB ARG 53 7.831 6.337 7.832 409 2HB ARG 53 2HB ARG 53 6.746 4.957 7.658 410 1HG ARG 53 1HG ARG 53 7.597 3.919 9.631 411 2HG ARG 53 2HG ARG 53 8.983 5.007 9.694 412 1HD ARG 53 1HD ARG 53 7.643 6.094 11.240 413 2HD ARG 53 2HD ARG 53 6.952 6.821 9.776 414 HE ARG 53 HE ARG 53 5.543 4.477 9.986 415 1HH1 ARG 53 1HH2 ARG 53 4.167 7.016 10.633 416 2HH1 ARG 53 2HH2 ARG 53 3.700 6.791 12.285 417 1HH2 ARG 53 1HH1 ARG 53 5.883 4.149 12.819 418 2HH2 ARG 53 2HH1 ARG 53 4.673 5.168 13.523 419 H THR 54 H THR 54 7.467 2.695 5.976 420 HA THR 54 HA THR 54 8.021 0.605 7.976 421 HB THR 54 HB THR 54 6.413 0.843 5.423 422 HG1 THR 54 1HG THR 54 4.896 0.081 7.283 423 1HG2 THR 54 1HG2 THR 54 5.726 -1.557 6.716 424 2HG2 THR 54 2HG2 THR 54 7.488 -1.558 6.632 425 3HG2 THR 54 3HG2 THR 54 6.535 -1.385 5.157 426 H CYS 55 H CYS 55 8.592 1.028 4.455 427 HA CYS 55 HA CYS 55 10.999 -0.740 4.753 428 1HB CYS 55 1HB CYS 55 8.844 -0.775 2.616 429 2HB CYS 55 2HB CYS 55 10.317 -1.747 2.569 430 H GLY 56 H GLY 56 11.180 2.058 4.762 431 1HA GLY 56 1HA GLY 56 11.979 2.768 1.979 432 2HA GLY 56 2HA GLY 56 11.693 3.928 3.277 433 H GLY 57 H GLY 57 13.910 4.697 2.569 434 1HA GLY 57 1HA GLY 57 16.002 4.835 3.946 435 2HA GLY 57 2HA GLY 57 16.026 3.071 3.926 436 H ALA 58 H ALA 58 15.156 4.978 1.103 437 HA ALA 58 HA ALA 58 17.764 4.184 -0.154 438 1HB ALA 58 1HB ALA 58 14.971 3.636 -0.811 439 2HB ALA 58 2HB ALA 58 16.433 2.883 -1.447 440 3HB ALA 58 3HB ALA 58 15.828 4.378 -2.162 Start of MODEL 4 1 1H ARG 1 1H ARG 1 14.427 -4.811 7.749 2 2H ARG 1 2H ARG 1 14.349 -5.272 6.116 3 3H ARG 1 3H ARG 1 13.851 -6.351 7.329 4 HA ARG 1 HA ARG 1 12.246 -4.278 7.861 5 1HB ARG 1 1HB ARG 1 11.768 -3.083 5.900 6 2HB ARG 1 2HB ARG 1 13.502 -3.348 5.738 7 1HG ARG 1 1HG ARG 1 12.991 -5.403 4.383 8 2HG ARG 1 2HG ARG 1 11.286 -4.960 4.439 9 1HD ARG 1 1HD ARG 1 11.576 -3.166 2.994 10 2HD ARG 1 2HD ARG 1 13.245 -2.878 3.530 11 HE ARG 1 HE ARG 1 12.363 -4.957 1.589 12 1HH1 ARG 1 1HH1 ARG 1 14.497 -5.996 3.457 13 2HH1 ARG 1 2HH1 ARG 1 15.943 -5.594 2.594 14 1HH2 ARG 1 1HH2 ARG 1 14.371 -3.345 0.473 15 2HH2 ARG 1 2HH2 ARG 1 15.873 -4.093 0.904 16 HA PRO 2 HA PRO 2 9.326 -7.497 7.276 17 1HB PRO 2 1HB PRO 2 7.079 -6.146 6.492 18 2HB PRO 2 2HB PRO 2 7.687 -6.143 8.155 19 1HG PRO 2 1HG PRO 2 8.012 -4.104 5.992 20 2HG PRO 2 2HG PRO 2 7.681 -3.868 7.716 21 1HD PRO 2 1HD PRO 2 10.145 -3.547 6.625 22 2HD PRO 2 2HD PRO 2 9.902 -4.110 8.293 23 H ASP 3 H ASP 3 8.046 -8.668 5.657 24 HA ASP 3 HA ASP 3 9.121 -8.283 2.934 25 1HB ASP 3 1HB ASP 3 8.254 -10.519 2.600 26 2HB ASP 3 2HB ASP 3 9.007 -10.478 4.195 27 H PHE 4 H PHE 4 6.164 -7.697 4.713 28 HA PHE 4 HA PHE 4 4.344 -7.756 2.474 29 1HB PHE 4 1HB PHE 4 2.837 -6.624 3.973 30 2HB PHE 4 2HB PHE 4 3.772 -7.765 4.931 31 HD1 PHE 4 1HD PHE 4 3.847 -4.150 3.831 32 HD2 PHE 4 2HD PHE 4 4.829 -7.044 6.860 33 HE1 PHE 4 1HE PHE 4 4.597 -2.339 5.333 34 HE2 PHE 4 2HE PHE 4 5.578 -5.215 8.355 35 HZ PHE 4 HZ PHE 4 5.456 -2.861 7.585 36 H CYS 5 H CYS 5 6.869 -5.622 3.300 37 HA CYS 5 HA CYS 5 5.761 -3.218 2.070 38 1HB CYS 5 1HB CYS 5 8.304 -4.172 3.298 39 2HB CYS 5 2HB CYS 5 8.404 -2.773 2.226 40 H LEU 6 H LEU 6 7.491 -6.049 0.939 41 HA LEU 6 HA LEU 6 8.233 -4.724 -1.617 42 1HB LEU 6 1HB LEU 6 8.532 -7.627 -0.798 43 2HB LEU 6 2HB LEU 6 9.482 -6.738 -1.989 44 HG LEU 6 HG LEU 6 9.411 -6.080 0.970 45 1HD1 LEU 6 1HD1 LEU 6 11.953 -6.954 0.374 46 2HD1 LEU 6 2HD1 LEU 6 10.952 -8.051 -0.577 47 3HD1 LEU 6 3HD1 LEU 6 10.713 -7.928 1.165 48 1HD2 LEU 6 1HD2 LEU 6 10.195 -4.560 -1.241 49 2HD2 LEU 6 2HD2 LEU 6 11.708 -5.224 -0.619 50 3HD2 LEU 6 3HD2 LEU 6 10.662 -4.271 0.435 51 H GLU 7 H GLU 7 5.596 -6.378 -0.263 52 HA GLU 7 HA GLU 7 4.663 -7.782 -2.642 53 1HB GLU 7 1HB GLU 7 3.886 -7.267 0.147 54 2HB GLU 7 2HB GLU 7 2.509 -7.367 -0.950 55 1HG GLU 7 1HG GLU 7 2.785 -9.598 -1.248 56 2HG GLU 7 2HG GLU 7 4.531 -9.437 -1.442 57 HA PRO 8 HA PRO 8 2.671 -4.401 -4.633 58 1HB PRO 8 1HB PRO 8 0.586 -5.704 -5.842 59 2HB PRO 8 2HB PRO 8 2.266 -5.835 -6.401 60 1HG PRO 8 1HG PRO 8 0.644 -7.719 -4.758 61 2HG PRO 8 2HG PRO 8 1.829 -8.063 -6.025 62 1HD PRO 8 1HD PRO 8 2.334 -8.256 -3.330 63 2HD PRO 8 2HD PRO 8 3.584 -7.972 -4.561 64 HA PRO 9 HA PRO 9 -0.775 -3.034 -2.270 65 1HB PRO 9 1HB PRO 9 -2.426 -1.868 -4.118 66 2HB PRO 9 2HB PRO 9 -0.893 -1.145 -3.594 67 1HG PRO 9 1HG PRO 9 -1.538 -2.683 -6.066 68 2HG PRO 9 2HG PRO 9 -0.490 -1.272 -5.856 69 1HD PRO 9 1HD PRO 9 0.420 -3.852 -6.090 70 2HD PRO 9 2HD PRO 9 1.308 -2.557 -5.256 71 H TYR 10 H TYR 10 -3.394 -3.058 -2.354 72 HA TYR 10 HA TYR 10 -4.474 -5.452 -3.729 73 1HB TYR 10 1HB TYR 10 -3.228 -6.092 -1.574 74 2HB TYR 10 2HB TYR 10 -4.511 -5.243 -0.712 75 HD1 TYR 10 1HD TYR 10 -6.069 -6.716 0.187 76 HD2 TYR 10 2HD TYR 10 -4.416 -7.530 -3.694 77 HE1 TYR 10 1HE TYR 10 -7.530 -8.708 -0.017 78 HE2 TYR 10 2HE TYR 10 -5.878 -9.524 -3.898 79 HH TYR 10 HH TYR 10 -7.101 -11.057 -2.494 80 H THR 11 H THR 11 -6.012 -4.021 -4.664 81 HA THR 11 HA THR 11 -7.572 -2.071 -3.343 82 HB THR 11 HB THR 11 -7.927 -3.934 -5.686 83 HG1 THR 11 1HG THR 11 -8.134 -1.751 -6.645 84 1HG2 THR 11 1HG2 THR 11 -10.051 -2.487 -6.143 85 2HG2 THR 11 2HG2 THR 11 -10.044 -2.225 -4.399 86 3HG2 THR 11 3HG2 THR 11 -10.184 -3.861 -5.045 87 H GLY 12 H GLY 12 -7.593 -5.541 -3.175 88 1HA GLY 12 1HA GLY 12 -8.746 -6.956 -1.677 89 2HA GLY 12 2HA GLY 12 -9.429 -5.516 -0.919 90 HA PRO 13 HA PRO 13 -12.414 -7.672 -3.953 91 1HB PRO 13 1HB PRO 13 -13.673 -9.440 -2.284 92 2HB PRO 13 2HB PRO 13 -12.262 -9.875 -3.268 93 1HG PRO 13 1HG PRO 13 -12.436 -9.177 -0.374 94 2HG PRO 13 2HG PRO 13 -11.444 -10.402 -1.180 95 1HD PRO 13 1HD PRO 13 -10.508 -7.961 -0.351 96 2HD PRO 13 2HD PRO 13 -9.796 -8.891 -1.690 97 H CYS 14 H CYS 14 -12.746 -5.231 -2.957 98 HA CYS 14 HA CYS 14 -15.330 -5.306 -1.427 99 1HB CYS 14 1HB CYS 14 -12.877 -3.567 -1.298 100 2HB CYS 14 2HB CYS 14 -14.432 -2.927 -0.766 101 H LYS 15 H LYS 15 -16.025 -2.638 -1.750 102 HA LYS 15 HA LYS 15 -16.288 -2.350 -4.729 103 1HB LYS 15 1HB LYS 15 -18.212 -2.208 -2.435 104 2HB LYS 15 2HB LYS 15 -18.514 -1.185 -3.839 105 1HG LYS 15 1HG LYS 15 -18.525 -3.116 -5.309 106 2HG LYS 15 2HG LYS 15 -18.029 -4.175 -3.987 107 1HD LYS 15 1HD LYS 15 -20.171 -3.375 -2.792 108 2HD LYS 15 2HD LYS 15 -20.670 -2.758 -4.367 109 1HE LYS 15 1HE LYS 15 -19.659 -5.565 -4.307 110 2HE LYS 15 2HE LYS 15 -21.246 -5.272 -3.569 111 1HZ LYS 15 1HZ LYS 15 -20.396 -5.001 -6.342 112 2HZ LYS 15 2HZ LYS 15 -21.395 -3.754 -5.763 113 3HZ LYS 15 3HZ LYS 15 -21.928 -5.367 -5.713 114 H ALA 16 H ALA 16 -14.915 -1.009 -2.019 115 HA ALA 16 HA ALA 16 -15.531 1.809 -2.469 116 1HB ALA 16 1HB ALA 16 -13.157 0.721 -0.970 117 2HB ALA 16 2HB ALA 16 -14.786 0.476 -0.339 118 3HB ALA 16 3HB ALA 16 -14.169 2.110 -0.577 119 H ARG 17 H ARG 17 -13.599 3.349 -2.845 120 HA ARG 17 HA ARG 17 -11.490 2.239 -4.617 121 1HB ARG 17 1HB ARG 17 -13.527 2.745 -5.991 122 2HB ARG 17 2HB ARG 17 -13.428 4.423 -5.454 123 1HG ARG 17 1HG ARG 17 -10.925 4.187 -6.325 124 2HG ARG 17 2HG ARG 17 -11.633 2.911 -7.315 125 1HD ARG 17 1HD ARG 17 -12.907 4.402 -8.550 126 2HD ARG 17 2HD ARG 17 -13.075 5.536 -7.195 127 HE ARG 17 HE ARG 17 -10.738 5.320 -9.015 128 1HH1 ARG 17 1HH2 ARG 17 -12.403 7.788 -8.090 129 2HH1 ARG 17 2HH2 ARG 17 -11.223 8.594 -7.109 130 1HH2 ARG 17 1HH1 ARG 17 -9.113 5.849 -6.926 131 2HH2 ARG 17 2HH1 ARG 17 -9.363 7.495 -6.450 132 H ILE 18 H ILE 18 -10.522 3.055 -2.424 133 HA ILE 18 HA ILE 18 -10.173 6.006 -2.337 134 HB ILE 18 HB ILE 18 -9.064 3.871 -0.494 135 1HG1 ILE 18 1HG1 ILE 18 -11.785 5.216 -0.448 136 2HG1 ILE 18 2HG1 ILE 18 -11.475 3.501 -0.726 137 1HG2 ILE 18 1HG2 ILE 18 -8.114 5.984 0.009 138 2HG2 ILE 18 2HG2 ILE 18 -9.450 5.824 1.148 139 3HG2 ILE 18 3HG2 ILE 18 -9.632 6.831 -0.290 140 1HD1 ILE 18 1HD1 ILE 18 -11.843 4.817 1.764 141 2HD1 ILE 18 2HD1 ILE 18 -10.150 4.324 1.693 142 3HD1 ILE 18 3HD1 ILE 18 -11.428 3.125 1.492 143 H ILE 19 H ILE 19 -7.899 6.828 -2.069 144 HA ILE 19 HA ILE 19 -6.036 5.316 -3.853 145 HB ILE 19 HB ILE 19 -6.269 8.220 -3.004 146 1HG1 ILE 19 1HG1 ILE 19 -7.949 7.645 -4.622 147 2HG1 ILE 19 2HG1 ILE 19 -6.665 8.463 -5.514 148 1HG2 ILE 19 1HG2 ILE 19 -4.492 7.624 -5.245 149 2HG2 ILE 19 2HG2 ILE 19 -3.936 6.888 -3.741 150 3HG2 ILE 19 3HG2 ILE 19 -4.202 8.629 -3.825 151 1HD1 ILE 19 1HD1 ILE 19 -7.255 5.500 -5.376 152 2HD1 ILE 19 2HD1 ILE 19 -5.703 6.116 -5.944 153 3HD1 ILE 19 3HD1 ILE 19 -7.185 6.530 -6.806 154 H ARG 20 H ARG 20 -5.264 3.903 -2.106 155 HA ARG 20 HA ARG 20 -3.930 5.173 0.208 156 1HB ARG 20 1HB ARG 20 -4.532 2.378 -0.745 157 2HB ARG 20 2HB ARG 20 -3.426 2.646 0.601 158 1HG ARG 20 1HG ARG 20 -6.251 3.742 0.457 159 2HG ARG 20 2HG ARG 20 -5.798 2.276 1.328 160 1HD ARG 20 1HD ARG 20 -5.069 3.505 3.095 161 2HD ARG 20 2HD ARG 20 -4.040 4.489 2.037 162 HE ARG 20 HE ARG 20 -6.658 5.326 1.507 163 1HH1 ARG 20 1HH1 ARG 20 -7.328 4.788 4.321 164 2HH1 ARG 20 2HH1 ARG 20 -6.847 6.246 5.125 165 1HH2 ARG 20 1HH2 ARG 20 -4.841 7.338 2.516 166 2HH2 ARG 20 2HH2 ARG 20 -5.443 7.689 4.102 167 H TYR 21 H TYR 21 -1.635 4.020 0.658 168 HA TYR 21 HA TYR 21 -0.037 4.356 -1.856 169 1HB TYR 21 1HB TYR 21 0.369 5.060 1.039 170 2HB TYR 21 2HB TYR 21 1.764 4.864 -0.018 171 HD1 TYR 21 1HD TYR 21 -1.150 6.922 0.792 172 HD2 TYR 21 2HD TYR 21 2.086 6.345 -1.973 173 HE1 TYR 21 1HE TYR 21 -1.503 9.209 -0.097 174 HE2 TYR 21 2HE TYR 21 1.730 8.631 -2.865 175 HH TYR 21 HH TYR 21 -1.023 10.580 -1.878 176 H PHE 22 H PHE 22 1.665 2.878 -2.241 177 HA PHE 22 HA PHE 22 2.007 0.618 -0.340 178 1HB PHE 22 1HB PHE 22 1.378 -0.998 -1.941 179 2HB PHE 22 2HB PHE 22 0.182 0.274 -2.155 180 HD1 PHE 22 1HD PHE 22 3.062 -1.448 -3.628 181 HD2 PHE 22 2HD PHE 22 0.299 1.811 -4.084 182 HE1 PHE 22 1HE PHE 22 3.711 -1.232 -6.014 183 HE2 PHE 22 2HE PHE 22 0.947 2.030 -6.468 184 HZ PHE 22 HZ PHE 22 2.653 0.506 -7.435 185 H TYR 23 H TYR 23 3.826 -0.902 -1.483 186 HA TYR 23 HA TYR 23 6.090 0.953 -2.043 187 1HB TYR 23 1HB TYR 23 6.027 -0.909 -0.292 188 2HB TYR 23 2HB TYR 23 6.092 -2.043 -1.641 189 HD1 TYR 23 1HD TYR 23 8.164 -1.770 0.566 190 HD2 TYR 23 2HD TYR 23 7.926 0.035 -3.323 191 HE1 TYR 23 1HE TYR 23 10.626 -1.492 0.538 192 HE2 TYR 23 2HE TYR 23 10.377 0.277 -3.368 193 HH TYR 23 HH TYR 23 12.308 -0.094 -0.592 194 H ASN 24 H ASN 24 5.907 1.439 -4.292 195 HA ASN 24 HA ASN 24 5.537 -0.735 -6.242 196 1HB ASN 24 1HB ASN 24 4.753 1.672 -6.502 197 2HB ASN 24 2HB ASN 24 6.443 2.133 -6.668 198 1HD2 ASN 24 1HD2 ASN 24 4.222 2.214 -8.729 199 2HD2 ASN 24 2HD2 ASN 24 4.793 1.285 -10.030 200 H ALA 25 H ALA 25 7.538 -1.724 -4.934 201 HA ALA 25 HA ALA 25 10.152 -0.788 -5.158 202 1HB ALA 25 1HB ALA 25 9.126 -3.614 -5.609 203 2HB ALA 25 2HB ALA 25 9.411 -2.876 -4.030 204 3HB ALA 25 3HB ALA 25 10.765 -3.183 -5.119 205 H LYS 26 H LYS 26 8.009 -1.966 -7.643 206 HA LYS 26 HA LYS 26 9.941 -2.398 -9.733 207 1HB LYS 26 1HB LYS 26 7.153 -2.532 -9.304 208 2HB LYS 26 2HB LYS 26 7.370 -1.372 -10.615 209 1HG LYS 26 1HG LYS 26 9.112 -3.288 -11.401 210 2HG LYS 26 2HG LYS 26 7.939 -4.287 -10.542 211 1HD LYS 26 1HD LYS 26 6.190 -2.847 -11.907 212 2HD LYS 26 2HD LYS 26 7.562 -2.586 -12.985 213 1HE LYS 26 1HE LYS 26 7.105 -4.612 -13.907 214 2HE LYS 26 2HE LYS 26 7.570 -5.354 -12.362 215 1HZ LYS 26 1HZ LYS 26 5.375 -5.982 -12.504 216 2HZ LYS 26 2HZ LYS 26 4.905 -4.588 -13.353 217 3HZ LYS 26 3HZ LYS 26 5.200 -4.509 -11.681 218 H ALA 27 H ALA 27 8.186 0.429 -8.497 219 HA ALA 27 HA ALA 27 9.334 2.205 -10.571 220 1HB ALA 27 1HB ALA 27 7.004 2.431 -9.727 221 2HB ALA 27 2HB ALA 27 7.949 3.882 -9.391 222 3HB ALA 27 3HB ALA 27 7.633 2.719 -8.105 223 H GLY 28 H GLY 28 10.063 1.035 -7.409 224 1HA GLY 28 1HA GLY 28 12.173 1.334 -6.317 225 2HA GLY 28 2HA GLY 28 12.459 2.761 -7.306 226 H LEU 29 H LEU 29 9.322 2.751 -5.991 227 HA LEU 29 HA LEU 29 9.999 3.920 -3.425 228 1HB LEU 29 1HB LEU 29 9.581 6.168 -3.960 229 2HB LEU 29 2HB LEU 29 10.476 5.601 -5.368 230 HG LEU 29 HG LEU 29 7.462 5.844 -5.133 231 1HD1 LEU 29 1HD1 LEU 29 8.668 7.245 -7.329 232 2HD1 LEU 29 2HD1 LEU 29 9.495 7.694 -5.837 233 3HD1 LEU 29 3HD1 LEU 29 7.750 7.906 -5.976 234 1HD2 LEU 29 1HD2 LEU 29 7.738 4.008 -6.556 235 2HD2 LEU 29 2HD2 LEU 29 9.280 4.596 -7.178 236 3HD2 LEU 29 3HD2 LEU 29 7.773 5.348 -7.701 237 H CYS 30 H CYS 30 7.816 5.037 -2.661 238 HA CYS 30 HA CYS 30 5.727 2.995 -2.899 239 1HB CYS 30 1HB CYS 30 6.003 5.594 -1.363 240 2HB CYS 30 2HB CYS 30 4.627 4.506 -1.193 241 H GLN 31 H GLN 31 3.612 3.393 -3.718 242 HA GLN 31 HA GLN 31 3.192 5.951 -5.205 243 1HB GLN 31 1HB GLN 31 3.161 3.108 -6.234 244 2HB GLN 31 2HB GLN 31 2.312 4.402 -7.079 245 1HG GLN 31 1HG GLN 31 4.873 5.427 -6.491 246 2HG GLN 31 2HG GLN 31 5.140 3.783 -7.069 247 1HE2 GLN 31 1HE2 GLN 31 6.073 4.854 -9.064 248 2HE2 GLN 31 2HE2 GLN 31 5.013 5.416 -10.266 249 H THR 32 H THR 32 0.819 6.065 -5.938 250 HA THR 32 HA THR 32 -0.889 5.164 -3.708 251 HB THR 32 HB THR 32 -2.547 6.627 -5.002 252 HG1 THR 32 1HG THR 32 -1.825 6.727 -7.010 253 1HG2 THR 32 1HG2 THR 32 0.125 7.760 -4.135 254 2HG2 THR 32 2HG2 THR 32 -1.308 7.547 -3.131 255 3HG2 THR 32 3HG2 THR 32 -1.314 8.735 -4.433 256 H PHE 33 H PHE 33 -2.615 3.724 -3.944 257 HA PHE 33 HA PHE 33 -3.056 2.513 -6.639 258 1HB PHE 33 1HB PHE 33 -2.629 0.333 -5.827 259 2HB PHE 33 2HB PHE 33 -1.354 1.303 -5.100 260 HD1 PHE 33 1HD PHE 33 -1.409 1.879 -2.695 261 HD2 PHE 33 2HD PHE 33 -4.449 -0.573 -4.491 262 HE1 PHE 33 1HE PHE 33 -2.159 1.176 -0.453 263 HE2 PHE 33 2HE PHE 33 -5.201 -1.282 -2.236 264 HZ PHE 33 HZ PHE 33 -4.057 -0.409 -0.216 265 H VAL 34 H VAL 34 -5.088 1.176 -6.643 266 HA VAL 34 HA VAL 34 -7.254 2.615 -5.344 267 HB VAL 34 HB VAL 34 -7.246 -0.017 -6.856 268 1HG1 VAL 34 1HG1 VAL 34 -9.451 0.076 -6.365 269 2HG1 VAL 34 2HG1 VAL 34 -9.530 1.454 -7.464 270 3HG1 VAL 34 3HG1 VAL 34 -9.314 1.717 -5.733 271 1HG2 VAL 34 1HG2 VAL 34 -6.647 1.155 -8.684 272 2HG2 VAL 34 2HG2 VAL 34 -6.514 2.622 -7.711 273 3HG2 VAL 34 3HG2 VAL 34 -8.053 2.198 -8.463 274 H TYR 35 H TYR 35 -8.032 2.196 -3.324 275 HA TYR 35 HA TYR 35 -7.353 -0.431 -2.044 276 1HB TYR 35 1HB TYR 35 -6.453 1.589 -0.995 277 2HB TYR 35 2HB TYR 35 -8.058 2.317 -0.959 278 HD1 TYR 35 1HD TYR 35 -7.394 -1.261 -0.293 279 HD2 TYR 35 2HD TYR 35 -8.216 2.584 1.435 280 HE1 TYR 35 1HE TYR 35 -7.817 -2.336 1.899 281 HE2 TYR 35 2HE TYR 35 -8.638 1.507 3.630 282 HH TYR 35 HH TYR 35 -9.429 -1.024 4.311 283 H GLY 36 H GLY 36 -9.068 -1.618 -1.028 284 1HA GLY 36 1HA GLY 36 -11.780 -0.917 -1.989 285 2HA GLY 36 2HA GLY 36 -11.299 -2.474 -1.318 286 H ALA 37 H ALA 37 -9.982 -0.261 0.734 287 HA ALA 37 HA ALA 37 -10.679 0.702 2.792 288 1HB ALA 37 1HB ALA 37 -12.692 1.220 1.112 289 2HB ALA 37 2HB ALA 37 -12.834 1.547 2.840 290 3HB ALA 37 3HB ALA 37 -13.533 0.076 2.159 291 H CYS 38 H CYS 38 -11.109 -2.462 1.834 292 HA CYS 38 HA CYS 38 -11.344 -3.364 4.631 293 1HB CYS 38 1HB CYS 38 -13.232 -5.003 3.542 294 2HB CYS 38 2HB CYS 38 -13.616 -3.520 4.405 295 H ARG 39 H ARG 39 -10.641 -5.567 4.878 296 HA ARG 39 HA ARG 39 -9.386 -7.485 4.289 297 1HB ARG 39 1HB ARG 39 -11.210 -6.858 2.131 298 2HB ARG 39 2HB ARG 39 -9.721 -7.541 1.480 299 1HG ARG 39 1HG ARG 39 -10.515 -9.573 2.057 300 2HG ARG 39 2HG ARG 39 -10.301 -9.097 3.742 301 1HD ARG 39 1HD ARG 39 -12.644 -7.911 3.386 302 2HD ARG 39 2HD ARG 39 -12.800 -9.095 2.073 303 HE ARG 39 HE ARG 39 -11.938 -10.690 4.082 304 1HH1 ARG 39 1HH1 ARG 39 -14.776 -9.029 3.407 305 2HH1 ARG 39 2HH1 ARG 39 -15.508 -9.299 4.952 306 1HH2 ARG 39 1HH2 ARG 39 -12.657 -10.670 6.367 307 2HH2 ARG 39 2HH2 ARG 39 -14.311 -10.229 6.626 308 H ALA 40 H ALA 40 -8.258 -4.710 4.186 309 HA ALA 40 HA ALA 40 -6.417 -4.561 1.939 310 1HB ALA 40 1HB ALA 40 -5.709 -3.099 4.371 311 2HB ALA 40 2HB ALA 40 -7.414 -2.917 3.957 312 3HB ALA 40 3HB ALA 40 -6.170 -2.475 2.788 313 H LYS 41 H LYS 41 -3.973 -4.326 2.526 314 HA LYS 41 HA LYS 41 -3.180 -6.593 4.332 315 1HB LYS 41 1HB LYS 41 -1.720 -5.616 1.866 316 2HB LYS 41 2HB LYS 41 -1.532 -7.162 2.691 317 1HG LYS 41 1HG LYS 41 -4.002 -7.582 2.105 318 2HG LYS 41 2HG LYS 41 -3.853 -6.214 1.002 319 1HD LYS 41 1HD LYS 41 -3.274 -7.948 -0.424 320 2HD LYS 41 2HD LYS 41 -1.682 -7.531 0.214 321 1HE LYS 41 1HE LYS 41 -1.719 -9.368 1.753 322 2HE LYS 41 2HE LYS 41 -3.452 -9.643 1.488 323 1HZ LYS 41 1HZ LYS 41 -3.072 -10.616 -0.506 324 2HZ LYS 41 2HZ LYS 41 -1.539 -10.936 0.150 325 3HZ LYS 41 3HZ LYS 41 -1.763 -9.606 -0.884 326 H ARG 42 H ARG 42 -0.538 -6.224 4.597 327 HA ARG 42 HA ARG 42 -0.292 -3.830 6.211 328 1HB ARG 42 1HB ARG 42 1.969 -5.524 5.140 329 2HB ARG 42 2HB ARG 42 1.873 -4.693 6.688 330 1HG ARG 42 1HG ARG 42 -0.303 -6.321 6.862 331 2HG ARG 42 2HG ARG 42 0.769 -7.320 5.879 332 1HD ARG 42 1HD ARG 42 2.465 -6.323 7.854 333 2HD ARG 42 2HD ARG 42 0.956 -6.649 8.727 334 HE ARG 42 HE ARG 42 2.584 -8.648 7.250 335 1HH1 ARG 42 1HH1 ARG 42 -0.666 -8.329 7.475 336 2HH1 ARG 42 2HH1 ARG 42 -0.953 -9.721 8.466 337 1HH2 ARG 42 1HH2 ARG 42 2.401 -10.225 9.192 338 2HH2 ARG 42 2HH2 ARG 42 0.784 -10.790 9.443 339 H ASN 43 H ASN 43 0.121 -4.509 2.857 340 HA ASN 43 HA ASN 43 1.924 -2.196 2.401 341 1HB ASN 43 1HB ASN 43 1.855 -4.605 1.281 342 2HB ASN 43 2HB ASN 43 0.650 -3.842 0.241 343 1HD2 ASN 43 1HD2 ASN 43 3.981 -3.280 1.506 344 2HD2 ASN 43 2HD2 ASN 43 4.527 -2.468 0.117 345 H ASN 44 H ASN 44 -0.140 -1.014 3.415 346 HA ASN 44 HA ASN 44 -1.532 0.292 1.150 347 1HB ASN 44 1HB ASN 44 -2.973 -1.592 1.625 348 2HB ASN 44 2HB ASN 44 -2.844 -1.330 3.362 349 1HD2 ASN 44 1HD2 ASN 44 -5.295 -1.343 1.613 350 2HD2 ASN 44 2HD2 ASN 44 -6.049 0.161 1.900 351 H PHE 45 H PHE 45 -0.064 1.982 2.076 352 HA PHE 45 HA PHE 45 -0.766 2.997 4.777 353 1HB PHE 45 1HB PHE 45 1.280 4.002 2.783 354 2HB PHE 45 2HB PHE 45 1.276 4.243 4.530 355 HD1 PHE 45 1HD PHE 45 1.992 2.484 6.047 356 HD2 PHE 45 2HD PHE 45 1.791 1.784 1.812 357 HE1 PHE 45 1HE PHE 45 3.262 0.372 6.335 358 HE2 PHE 45 2HE PHE 45 3.063 -0.327 2.101 359 HZ PHE 45 HZ PHE 45 3.802 -1.038 4.364 360 H LYS 46 H LYS 46 -1.396 5.236 5.068 361 HA LYS 46 HA LYS 46 -3.254 6.210 3.042 362 1HB LYS 46 1HB LYS 46 -2.231 7.474 5.603 363 2HB LYS 46 2HB LYS 46 -3.720 7.889 4.756 364 1HG LYS 46 1HG LYS 46 -4.810 5.983 5.465 365 2HG LYS 46 2HG LYS 46 -3.325 5.032 5.529 366 1HD LYS 46 1HD LYS 46 -3.303 7.260 7.424 367 2HD LYS 46 2HD LYS 46 -4.642 6.146 7.713 368 1HE LYS 46 1HE LYS 46 -3.236 4.491 8.424 369 2HE LYS 46 2HE LYS 46 -2.066 4.814 7.129 370 1HZ LYS 46 1HZ LYS 46 -2.401 6.182 9.731 371 2HZ LYS 46 2HZ LYS 46 -1.677 6.991 8.423 372 3HZ LYS 46 3HZ LYS 46 -0.983 5.565 9.033 373 H SER 47 H SER 47 0.061 6.851 3.918 374 HA SER 47 HA SER 47 0.133 9.031 1.860 375 1HB SER 47 1HB SER 47 1.597 10.284 3.373 376 2HB SER 47 2HB SER 47 0.090 9.897 4.197 377 HG SER 47 HG SER 47 1.308 7.924 4.890 378 H ALA 48 H ALA 48 2.257 9.285 0.865 379 HA ALA 48 HA ALA 48 3.631 6.765 0.399 380 1HB ALA 48 1HB ALA 48 5.184 8.759 -0.678 381 2HB ALA 48 2HB ALA 48 3.619 9.562 -0.555 382 3HB ALA 48 3HB ALA 48 3.773 8.066 -1.476 383 H GLU 49 H GLU 49 4.072 9.499 2.519 384 HA GLU 49 HA GLU 49 6.885 9.051 3.113 385 1HB GLU 49 1HB GLU 49 4.897 10.978 3.556 386 2HB GLU 49 2HB GLU 49 5.306 10.384 5.166 387 1HG GLU 49 1HG GLU 49 7.183 11.550 3.092 388 2HG GLU 49 2HG GLU 49 6.817 12.196 4.692 389 H ASP 50 H ASP 50 3.925 7.597 4.115 390 HA ASP 50 HA ASP 50 5.074 6.525 6.633 391 1HB ASP 50 1HB ASP 50 2.638 7.418 6.082 392 2HB ASP 50 2HB ASP 50 2.404 5.778 5.479 393 H CYS 51 H CYS 51 4.228 5.566 3.359 394 HA CYS 51 HA CYS 51 4.421 2.711 3.722 395 1HB CYS 51 1HB CYS 51 3.337 3.515 1.776 396 2HB CYS 51 2HB CYS 51 4.616 4.679 1.438 397 H MET 52 H MET 52 6.731 5.128 2.441 398 HA MET 52 HA MET 52 8.971 3.321 2.254 399 1HB MET 52 1HB MET 52 8.349 5.851 1.436 400 2HB MET 52 2HB MET 52 9.434 6.209 2.781 401 1HG MET 52 1HG MET 52 10.712 6.003 0.693 402 2HG MET 52 2HG MET 52 11.126 4.685 1.787 403 1HE MET 52 1HE MET 52 11.402 2.095 0.057 404 2HE MET 52 2HE MET 52 12.196 3.652 0.283 405 3HE MET 52 3HE MET 52 11.731 3.136 -1.336 406 H ARG 53 H ARG 53 8.097 5.783 4.723 407 HA ARG 53 HA ARG 53 10.163 5.599 6.538 408 1HB ARG 53 1HB ARG 53 8.215 6.998 6.883 409 2HB ARG 53 2HB ARG 53 7.160 5.588 6.979 410 1HG ARG 53 1HG ARG 53 9.245 5.251 8.902 411 2HG ARG 53 2HG ARG 53 8.590 6.878 9.096 412 1HD ARG 53 1HD ARG 53 6.494 4.863 8.674 413 2HD ARG 53 2HD ARG 53 7.451 4.573 10.139 414 HE ARG 53 HE ARG 53 6.312 7.281 9.537 415 1HH1 ARG 53 1HH2 ARG 53 4.616 5.178 11.004 416 2HH1 ARG 53 2HH2 ARG 53 4.891 5.636 12.652 417 1HH2 ARG 53 1HH1 ARG 53 7.632 7.629 11.918 418 2HH2 ARG 53 2HH1 ARG 53 6.597 7.026 13.169 419 H THR 54 H THR 54 7.521 3.268 6.104 420 HA THR 54 HA THR 54 8.696 1.411 8.097 421 HB THR 54 HB THR 54 6.197 1.517 6.378 422 HG1 THR 54 1HG THR 54 5.321 2.160 8.176 423 1HG2 THR 54 1HG2 THR 54 6.148 -0.589 8.344 424 2HG2 THR 54 2HG2 THR 54 7.505 -0.826 7.246 425 3HG2 THR 54 3HG2 THR 54 5.870 -0.684 6.606 426 H CYS 55 H CYS 55 7.886 1.542 4.646 427 HA CYS 55 HA CYS 55 9.225 -1.006 4.067 428 1HB CYS 55 1HB CYS 55 7.913 1.128 2.355 429 2HB CYS 55 2HB CYS 55 8.424 -0.449 1.784 430 H GLY 56 H GLY 56 10.869 1.363 5.043 431 1HA GLY 56 1HA GLY 56 12.684 1.483 2.666 432 2HA GLY 56 2HA GLY 56 12.459 2.872 3.734 433 H GLY 57 H GLY 57 14.726 0.740 3.047 434 1HA GLY 57 1HA GLY 57 16.424 1.040 5.152 435 2HA GLY 57 2HA GLY 57 15.365 -0.241 5.743 436 H ALA 58 H ALA 58 16.529 0.328 2.420 437 HA ALA 58 HA ALA 58 17.771 -2.402 2.513 438 1HB ALA 58 1HB ALA 58 16.993 -2.698 0.326 439 2HB ALA 58 2HB ALA 58 16.960 -0.965 0.001 440 3HB ALA 58 3HB ALA 58 15.715 -1.696 1.013 Start of MODEL 5 1 1H ARG 1 1H ARG 1 16.138 -3.816 4.817 2 2H ARG 1 2H ARG 1 15.647 -4.941 3.643 3 3H ARG 1 3H ARG 1 15.638 -5.367 5.288 4 HA ARG 1 HA ARG 1 13.968 -3.481 5.601 5 1HB ARG 1 1HB ARG 1 12.993 -2.628 3.606 6 2HB ARG 1 2HB ARG 1 14.719 -2.677 3.259 7 1HG ARG 1 1HG ARG 1 14.316 -4.989 2.255 8 2HG ARG 1 2HG ARG 1 12.592 -4.634 2.364 9 1HD ARG 1 1HD ARG 1 12.678 -3.122 0.631 10 2HD ARG 1 2HD ARG 1 14.273 -2.515 1.118 11 HE ARG 1 HE ARG 1 13.800 -5.069 -0.378 12 1HH1 ARG 1 1HH2 ARG 1 15.104 -2.469 -1.455 13 2HH1 ARG 1 2HH2 ARG 1 16.772 -2.935 -1.445 14 1HH2 ARG 1 1HH1 ARG 1 16.264 -5.704 0.578 15 2HH2 ARG 1 2HH1 ARG 1 17.429 -4.765 -0.295 16 HA PRO 2 HA PRO 2 11.198 -6.862 5.958 17 1HB PRO 2 1HB PRO 2 8.749 -5.707 5.476 18 2HB PRO 2 2HB PRO 2 9.652 -5.500 6.985 19 1HG PRO 2 1HG PRO 2 9.472 -3.699 4.601 20 2HG PRO 2 2HG PRO 2 9.413 -3.287 6.323 21 1HD PRO 2 1HD PRO 2 11.642 -2.962 4.830 22 2HD PRO 2 2HD PRO 2 11.716 -3.410 6.549 23 H ASP 3 H ASP 3 9.761 -8.288 4.733 24 HA ASP 3 HA ASP 3 10.160 -8.007 1.792 25 1HB ASP 3 1HB ASP 3 10.053 -10.145 3.800 26 2HB ASP 3 2HB ASP 3 9.111 -10.514 2.355 27 H PHE 4 H PHE 4 7.696 -7.798 4.228 28 HA PHE 4 HA PHE 4 5.444 -8.668 2.663 29 1HB PHE 4 1HB PHE 4 4.147 -7.631 4.407 30 2HB PHE 4 2HB PHE 4 5.585 -8.317 5.157 31 HD1 PHE 4 1HD PHE 4 4.418 -5.072 3.609 32 HD2 PHE 4 2HD PHE 4 6.790 -7.005 6.630 33 HE1 PHE 4 1HE PHE 4 4.905 -2.919 4.584 34 HE2 PHE 4 2HE PHE 4 7.303 -4.790 7.617 35 HZ PHE 4 HZ PHE 4 6.363 -2.737 6.596 36 H CYS 5 H CYS 5 7.382 -5.820 2.489 37 HA CYS 5 HA CYS 5 5.300 -4.172 1.226 38 1HB CYS 5 1HB CYS 5 8.035 -3.930 2.265 39 2HB CYS 5 2HB CYS 5 7.745 -2.965 0.817 40 H LEU 6 H LEU 6 7.564 -6.558 0.180 41 HA LEU 6 HA LEU 6 8.019 -5.510 -2.501 42 1HB LEU 6 1HB LEU 6 8.221 -8.346 -1.445 43 2HB LEU 6 2HB LEU 6 9.057 -7.679 -2.848 44 HG LEU 6 HG LEU 6 9.415 -6.726 0.008 45 1HD1 LEU 6 1HD1 LEU 6 11.674 -7.943 -1.446 46 2HD1 LEU 6 2HD1 LEU 6 10.365 -9.065 -1.072 47 3HD1 LEU 6 3HD1 LEU 6 11.159 -8.172 0.224 48 1HD2 LEU 6 1HD2 LEU 6 9.797 -4.961 -1.654 49 2HD2 LEU 6 2HD2 LEU 6 10.846 -6.034 -2.581 50 3HD2 LEU 6 3HD2 LEU 6 11.340 -5.484 -0.980 51 H GLU 7 H GLU 7 5.585 -7.523 -0.972 52 HA GLU 7 HA GLU 7 4.465 -8.726 -3.324 53 1HB GLU 7 1HB GLU 7 4.001 -8.550 -0.513 54 2HB GLU 7 2HB GLU 7 2.481 -8.172 -1.327 55 1HG GLU 7 1HG GLU 7 2.211 -10.313 -2.001 56 2HG GLU 7 2HG GLU 7 3.876 -10.418 -2.573 57 HA PRO 8 HA PRO 8 2.154 -5.460 -5.119 58 1HB PRO 8 1HB PRO 8 -0.161 -6.730 -5.852 59 2HB PRO 8 2HB PRO 8 1.389 -6.983 -6.680 60 1HG PRO 8 1HG PRO 8 -0.005 -8.677 -4.667 61 2HG PRO 8 2HG PRO 8 0.956 -9.155 -6.075 62 1HD PRO 8 1HD PRO 8 1.859 -9.180 -3.471 63 2HD PRO 8 2HD PRO 8 2.911 -9.080 -4.900 64 HA PRO 9 HA PRO 9 -0.695 -3.734 -2.256 65 1HB PRO 9 1HB PRO 9 -2.474 -2.422 -3.881 66 2HB PRO 9 2HB PRO 9 -0.821 -1.851 -3.576 67 1HG PRO 9 1HG PRO 9 -1.939 -3.313 -5.921 68 2HG PRO 9 2HG PRO 9 -0.728 -2.022 -5.864 69 1HD PRO 9 1HD PRO 9 -0.134 -4.682 -6.186 70 2HD PRO 9 2HD PRO 9 0.986 -3.489 -5.495 71 H TYR 10 H TYR 10 -3.376 -3.376 -2.194 72 HA TYR 10 HA TYR 10 -4.696 -5.921 -3.045 73 1HB TYR 10 1HB TYR 10 -3.565 -6.085 -0.767 74 2HB TYR 10 2HB TYR 10 -4.700 -4.859 -0.206 75 HD1 TYR 10 1HD TYR 10 -4.660 -8.136 -2.033 76 HD2 TYR 10 2HD TYR 10 -6.745 -5.543 0.684 77 HE1 TYR 10 1HE TYR 10 -6.376 -9.890 -1.677 78 HE2 TYR 10 2HE TYR 10 -8.463 -7.298 1.039 79 HH TYR 10 HH TYR 10 -9.240 -9.281 0.330 80 H THR 11 H THR 11 -6.046 -4.654 -4.407 81 HA THR 11 HA THR 11 -7.487 -2.317 -3.557 82 HB THR 11 HB THR 11 -7.703 -4.393 -5.736 83 HG1 THR 11 1HG THR 11 -7.317 -2.533 -6.983 84 1HG2 THR 11 1HG2 THR 11 -9.632 -3.202 -6.679 85 2HG2 THR 11 2HG2 THR 11 -9.661 -2.123 -5.284 86 3HG2 THR 11 3HG2 THR 11 -10.032 -3.835 -5.082 87 H GLY 12 H GLY 12 -7.860 -5.729 -3.044 88 1HA GLY 12 1HA GLY 12 -9.446 -6.954 -1.810 89 2HA GLY 12 2HA GLY 12 -9.827 -5.434 -1.000 90 HA PRO 13 HA PRO 13 -13.157 -6.750 -4.113 91 1HB PRO 13 1HB PRO 13 -14.855 -8.152 -2.491 92 2HB PRO 13 2HB PRO 13 -13.554 -8.919 -3.423 93 1HG PRO 13 1HG PRO 13 -13.678 -8.214 -0.536 94 2HG PRO 13 2HG PRO 13 -12.931 -9.610 -1.325 95 1HD PRO 13 1HD PRO 13 -11.568 -7.387 -0.411 96 2HD PRO 13 2HD PRO 13 -10.968 -8.498 -1.661 97 H CYS 14 H CYS 14 -13.353 -4.347 -3.685 98 HA CYS 14 HA CYS 14 -15.823 -3.793 -2.122 99 1HB CYS 14 1HB CYS 14 -13.045 -2.926 -1.525 100 2HB CYS 14 2HB CYS 14 -14.282 -1.675 -1.392 101 H LYS 15 H LYS 15 -16.604 -1.506 -2.610 102 HA LYS 15 HA LYS 15 -15.969 -0.828 -5.456 103 1HB LYS 15 1HB LYS 15 -18.369 -0.741 -3.670 104 2HB LYS 15 2HB LYS 15 -18.273 0.436 -4.981 105 1HG LYS 15 1HG LYS 15 -17.814 -1.490 -6.552 106 2HG LYS 15 2HG LYS 15 -18.167 -2.585 -5.214 107 1HD LYS 15 1HD LYS 15 -20.425 -1.930 -5.118 108 2HD LYS 15 2HD LYS 15 -20.121 -0.422 -5.980 109 1HE LYS 15 1HE LYS 15 -20.368 -1.430 -8.014 110 2HE LYS 15 2HE LYS 15 -19.402 -2.835 -7.522 111 1HZ LYS 15 1HZ LYS 15 -21.748 -3.419 -7.829 112 2HZ LYS 15 2HZ LYS 15 -22.202 -2.254 -6.679 113 3HZ LYS 15 3HZ LYS 15 -21.286 -3.605 -6.209 114 H ALA 16 H ALA 16 -14.787 0.116 -2.660 115 HA ALA 16 HA ALA 16 -15.306 3.014 -2.753 116 1HB ALA 16 1HB ALA 16 -14.166 3.008 -0.704 117 2HB ALA 16 2HB ALA 16 -13.140 1.651 -1.172 118 3HB ALA 16 3HB ALA 16 -14.830 1.374 -0.747 119 H ARG 17 H ARG 17 -13.651 4.583 -3.260 120 HA ARG 17 HA ARG 17 -11.353 3.481 -4.847 121 1HB ARG 17 1HB ARG 17 -13.526 5.350 -5.462 122 2HB ARG 17 2HB ARG 17 -11.933 6.009 -5.842 123 1HG ARG 17 1HG ARG 17 -12.642 3.199 -6.658 124 2HG ARG 17 2HG ARG 17 -13.169 4.565 -7.642 125 1HD ARG 17 1HD ARG 17 -10.466 5.098 -7.071 126 2HD ARG 17 2HD ARG 17 -10.525 3.365 -7.452 127 HE ARG 17 HE ARG 17 -12.155 4.514 -9.373 128 1HH1 ARG 17 1HH1 ARG 17 -9.667 6.407 -8.309 129 2HH1 ARG 17 2HH1 ARG 17 -8.765 6.405 -9.787 130 1HH2 ARG 17 1HH2 ARG 17 -10.682 3.922 -11.265 131 2HH2 ARG 17 2HH2 ARG 17 -9.339 4.998 -11.460 132 H ILE 18 H ILE 18 -10.197 3.715 -2.691 133 HA ILE 18 HA ILE 18 -9.594 6.552 -1.973 134 HB ILE 18 HB ILE 18 -9.224 3.865 -0.621 135 1HG1 ILE 18 1HG1 ILE 18 -10.736 6.344 0.251 136 2HG1 ILE 18 2HG1 ILE 18 -11.483 5.011 -0.628 137 1HG2 ILE 18 1HG2 ILE 18 -7.264 5.336 -0.190 138 2HG2 ILE 18 2HG2 ILE 18 -8.231 5.080 1.263 139 3HG2 ILE 18 3HG2 ILE 18 -8.359 6.598 0.374 140 1HD1 ILE 18 1HD1 ILE 18 -9.913 4.484 1.887 141 2HD1 ILE 18 2HD1 ILE 18 -11.190 3.510 1.156 142 3HD1 ILE 18 3HD1 ILE 18 -11.592 5.016 1.983 143 H ILE 19 H ILE 19 -7.519 7.365 -2.296 144 HA ILE 19 HA ILE 19 -5.669 5.740 -3.919 145 HB ILE 19 HB ILE 19 -5.624 8.593 -2.880 146 1HG1 ILE 19 1HG1 ILE 19 -7.438 8.057 -4.499 147 2HG1 ILE 19 2HG1 ILE 19 -6.250 9.166 -5.186 148 1HG2 ILE 19 1HG2 ILE 19 -4.007 8.289 -5.178 149 2HG2 ILE 19 2HG2 ILE 19 -3.570 6.967 -4.096 150 3HG2 ILE 19 3HG2 ILE 19 -3.469 8.636 -3.534 151 1HD1 ILE 19 1HD1 ILE 19 -6.686 7.480 -6.851 152 2HD1 ILE 19 2HD1 ILE 19 -6.483 6.183 -5.672 153 3HD1 ILE 19 3HD1 ILE 19 -5.091 7.138 -6.178 154 H ARG 20 H ARG 20 -5.161 4.177 -2.131 155 HA ARG 20 HA ARG 20 -3.676 5.214 0.199 156 1HB ARG 20 1HB ARG 20 -4.529 2.507 -0.845 157 2HB ARG 20 2HB ARG 20 -3.489 2.666 0.574 158 1HG ARG 20 1HG ARG 20 -5.816 4.449 0.651 159 2HG ARG 20 2HG ARG 20 -6.263 2.745 0.590 160 1HD ARG 20 1HD ARG 20 -5.316 2.295 2.657 161 2HD ARG 20 2HD ARG 20 -4.070 3.545 2.471 162 HE ARG 20 HE ARG 20 -6.064 5.189 2.702 163 1HH1 ARG 20 1HH2 ARG 20 -5.327 2.495 4.622 164 2HH1 ARG 20 2HH2 ARG 20 -6.711 2.650 5.653 165 1HH2 ARG 20 1HH1 ARG 20 -8.147 5.197 3.793 166 2HH2 ARG 20 2HH1 ARG 20 -8.305 4.178 5.185 167 H TYR 21 H TYR 21 -1.487 4.010 0.648 168 HA TYR 21 HA TYR 21 0.119 4.068 -1.886 169 1HB TYR 21 1HB TYR 21 0.774 4.694 1.005 170 2HB TYR 21 2HB TYR 21 1.972 4.676 -0.289 171 HD1 TYR 21 1HD TYR 21 2.245 6.539 -1.718 172 HD2 TYR 21 2HD TYR 21 -1.233 6.248 0.785 173 HE1 TYR 21 1HE TYR 21 1.617 8.860 -2.321 174 HE2 TYR 21 2HE TYR 21 -1.862 8.571 0.183 175 HH TYR 21 HH TYR 21 0.192 10.741 -1.148 176 H PHE 22 H PHE 22 1.820 2.526 -2.101 177 HA PHE 22 HA PHE 22 2.043 0.342 -0.120 178 1HB PHE 22 1HB PHE 22 1.255 -1.343 -1.555 179 2HB PHE 22 2HB PHE 22 0.142 -0.027 -1.862 180 HD1 PHE 22 1HD PHE 22 0.246 1.270 -3.952 181 HD2 PHE 22 2HD PHE 22 2.920 -2.009 -3.200 182 HE1 PHE 22 1HE PHE 22 0.862 1.220 -6.355 183 HE2 PHE 22 2HE PHE 22 3.538 -2.056 -5.601 184 HZ PHE 22 HZ PHE 22 2.510 -0.441 -7.180 185 H TYR 23 H TYR 23 3.972 -0.959 -0.546 186 HA TYR 23 HA TYR 23 6.111 0.653 -1.762 187 1HB TYR 23 1HB TYR 23 6.288 -0.621 0.390 188 2HB TYR 23 2HB TYR 23 6.189 -2.123 -0.535 189 HD1 TYR 23 1HD TYR 23 8.213 -3.114 -1.158 190 HD2 TYR 23 2HD TYR 23 8.041 1.148 -0.636 191 HE1 TYR 23 1HE TYR 23 10.633 -2.951 -1.685 192 HE2 TYR 23 2HE TYR 23 10.458 1.311 -1.166 193 HH TYR 23 HH TYR 23 12.417 -1.602 -1.729 194 H ASN 24 H ASN 24 6.475 0.526 -3.943 195 HA ASN 24 HA ASN 24 5.759 -1.932 -5.445 196 1HB ASN 24 1HB ASN 24 5.162 0.327 -6.270 197 2HB ASN 24 2HB ASN 24 6.866 0.773 -6.284 198 1HD2 ASN 24 1HD2 ASN 24 5.630 0.967 -8.722 199 2HD2 ASN 24 2HD2 ASN 24 6.057 -0.324 -9.735 200 H ALA 25 H ALA 25 7.484 -3.330 -4.585 201 HA ALA 25 HA ALA 25 10.203 -2.825 -4.375 202 1HB ALA 25 1HB ALA 25 9.921 -5.342 -5.655 203 2HB ALA 25 2HB ALA 25 8.432 -5.073 -4.749 204 3HB ALA 25 3HB ALA 25 9.987 -5.029 -3.920 205 H LYS 26 H LYS 26 8.287 -3.008 -7.293 206 HA LYS 26 HA LYS 26 10.535 -3.288 -9.131 207 1HB LYS 26 1HB LYS 26 7.786 -3.570 -9.193 208 2HB LYS 26 2HB LYS 26 8.032 -2.079 -10.102 209 1HG LYS 26 1HG LYS 26 10.015 -4.038 -10.861 210 2HG LYS 26 2HG LYS 26 8.400 -4.729 -11.020 211 1HD LYS 26 1HD LYS 26 9.305 -2.080 -12.193 212 2HD LYS 26 2HD LYS 26 9.091 -3.578 -13.097 213 1HE LYS 26 1HE LYS 26 6.659 -3.523 -12.088 214 2HE LYS 26 2HE LYS 26 7.002 -1.796 -11.859 215 1HZ LYS 26 1HZ LYS 26 6.117 -2.760 -14.153 216 2HZ LYS 26 2HZ LYS 26 7.775 -3.027 -14.403 217 3HZ LYS 26 3HZ LYS 26 7.201 -1.458 -14.093 218 H ALA 27 H ALA 27 8.910 -0.639 -7.513 219 HA ALA 27 HA ALA 27 10.148 1.383 -9.309 220 1HB ALA 27 1HB ALA 27 7.727 1.243 -8.200 221 2HB ALA 27 2HB ALA 27 8.526 2.798 -8.436 222 3HB ALA 27 3HB ALA 27 8.558 2.022 -6.853 223 H GLY 28 H GLY 28 10.368 0.159 -5.987 224 1HA GLY 28 1HA GLY 28 12.484 0.239 -4.771 225 2HA GLY 28 2HA GLY 28 12.915 1.683 -5.688 226 H LEU 29 H LEU 29 9.856 2.333 -5.089 227 HA LEU 29 HA LEU 29 10.249 3.326 -2.295 228 1HB LEU 29 1HB LEU 29 9.143 4.850 -4.683 229 2HB LEU 29 2HB LEU 29 9.341 5.488 -3.052 230 HG LEU 29 HG LEU 29 11.833 4.354 -3.962 231 1HD1 LEU 29 1HD1 LEU 29 10.272 5.916 -5.926 232 2HD1 LEU 29 2HD1 LEU 29 11.648 4.843 -6.180 233 3HD1 LEU 29 3HD1 LEU 29 11.914 6.506 -5.655 234 1HD2 LEU 29 1HD2 LEU 29 10.901 6.462 -2.399 235 2HD2 LEU 29 2HD2 LEU 29 11.642 7.271 -3.781 236 3HD2 LEU 29 3HD2 LEU 29 12.590 6.150 -2.801 237 H CYS 30 H CYS 30 7.649 4.789 -2.732 238 HA CYS 30 HA CYS 30 5.821 2.413 -2.687 239 1HB CYS 30 1HB CYS 30 5.891 4.969 -1.076 240 2HB CYS 30 2HB CYS 30 4.489 3.906 -1.101 241 H GLN 31 H GLN 31 3.867 2.656 -3.780 242 HA GLN 31 HA GLN 31 3.464 5.218 -5.279 243 1HB GLN 31 1HB GLN 31 3.157 2.352 -6.242 244 2HB GLN 31 2HB GLN 31 2.812 3.790 -7.205 245 1HG GLN 31 1HG GLN 31 5.426 4.062 -6.055 246 2HG GLN 31 2HG GLN 31 5.323 2.483 -6.834 247 1HE2 GLN 31 1HE2 GLN 31 7.021 4.143 -8.123 248 2HE2 GLN 31 2HE2 GLN 31 6.324 4.818 -9.517 249 H THR 32 H THR 32 1.152 5.536 -5.895 250 HA THR 32 HA THR 32 -0.609 4.626 -3.725 251 HB THR 32 HB THR 32 -2.174 6.219 -5.055 252 HG1 THR 32 1HG THR 32 -0.639 7.658 -6.304 253 1HG2 THR 32 1HG2 THR 32 -0.761 8.219 -4.279 254 2HG2 THR 32 2HG2 THR 32 0.428 7.026 -3.758 255 3HG2 THR 32 3HG2 THR 32 -1.188 7.027 -3.052 256 H PHE 33 H PHE 33 -2.427 3.317 -3.988 257 HA PHE 33 HA PHE 33 -3.015 2.245 -6.712 258 1HB PHE 33 1HB PHE 33 -2.796 -0.008 -5.962 259 2HB PHE 33 2HB PHE 33 -1.381 0.822 -5.327 260 HD1 PHE 33 1HD PHE 33 -1.316 1.526 -2.911 261 HD2 PHE 33 2HD PHE 33 -4.480 -0.904 -4.511 262 HE1 PHE 33 1HE PHE 33 -1.979 0.882 -0.618 263 HE2 PHE 33 2HE PHE 33 -5.140 -1.552 -2.209 264 HZ PHE 33 HZ PHE 33 -3.889 -0.660 -0.262 265 H VAL 34 H VAL 34 -5.167 1.166 -6.766 266 HA VAL 34 HA VAL 34 -7.150 2.677 -5.271 267 HB VAL 34 HB VAL 34 -7.355 0.240 -7.067 268 1HG1 VAL 34 1HG1 VAL 34 -9.396 2.176 -5.957 269 2HG1 VAL 34 2HG1 VAL 34 -9.402 0.414 -5.864 270 3HG1 VAL 34 3HG1 VAL 34 -9.707 1.216 -7.405 271 1HG2 VAL 34 1HG2 VAL 34 -7.214 1.642 -8.852 272 2HG2 VAL 34 2HG2 VAL 34 -6.450 2.758 -7.719 273 3HG2 VAL 34 3HG2 VAL 34 -8.176 2.890 -8.058 274 H TYR 35 H TYR 35 -7.468 2.211 -3.134 275 HA TYR 35 HA TYR 35 -7.167 -0.562 -2.129 276 1HB TYR 35 1HB TYR 35 -6.150 1.273 -0.910 277 2HB TYR 35 2HB TYR 35 -7.672 2.162 -0.884 278 HD1 TYR 35 1HD TYR 35 -7.307 -1.497 -0.327 279 HD2 TYR 35 2HD TYR 35 -7.975 2.345 1.470 280 HE1 TYR 35 1HE TYR 35 -7.936 -2.601 1.806 281 HE2 TYR 35 2HE TYR 35 -8.601 1.244 3.596 282 HH TYR 35 HH TYR 35 -8.232 -0.882 4.739 283 H GLY 36 H GLY 36 -8.940 -1.725 -1.195 284 1HA GLY 36 1HA GLY 36 -11.591 -0.951 -2.209 285 2HA GLY 36 2HA GLY 36 -11.189 -2.472 -1.411 286 H ALA 37 H ALA 37 -9.878 -0.228 0.573 287 HA ALA 37 HA ALA 37 -10.610 0.825 2.573 288 1HB ALA 37 1HB ALA 37 -12.657 1.902 2.426 289 2HB ALA 37 2HB ALA 37 -13.452 0.504 1.703 290 3HB ALA 37 3HB ALA 37 -12.402 1.528 0.723 291 H CYS 38 H CYS 38 -10.919 -2.277 1.818 292 HA CYS 38 HA CYS 38 -12.045 -2.985 4.483 293 1HB CYS 38 1HB CYS 38 -13.446 -4.733 3.297 294 2HB CYS 38 2HB CYS 38 -13.941 -3.069 2.985 295 H ARG 39 H ARG 39 -11.188 -4.947 5.292 296 HA ARG 39 HA ARG 39 -9.543 -6.630 5.518 297 1HB ARG 39 1HB ARG 39 -10.008 -6.880 2.533 298 2HB ARG 39 2HB ARG 39 -9.539 -8.160 3.653 299 1HG ARG 39 1HG ARG 39 -11.677 -8.189 4.682 300 2HG ARG 39 2HG ARG 39 -12.122 -6.629 3.993 301 1HD ARG 39 1HD ARG 39 -13.260 -8.055 2.538 302 2HD ARG 39 2HD ARG 39 -11.699 -7.958 1.697 303 HE ARG 39 HE ARG 39 -11.112 -10.117 2.672 304 1HH1 ARG 39 1HH1 ARG 39 -12.755 -9.753 5.206 305 2HH1 ARG 39 2HH1 ARG 39 -14.003 -10.932 4.971 306 1HH2 ARG 39 1HH2 ARG 39 -13.376 -11.308 1.581 307 2HH2 ARG 39 2HH2 ARG 39 -14.354 -11.811 2.920 308 H ALA 40 H ALA 40 -8.449 -4.035 5.210 309 HA ALA 40 HA ALA 40 -6.487 -3.845 3.112 310 1HB ALA 40 1HB ALA 40 -7.369 -2.435 5.490 311 2HB ALA 40 2HB ALA 40 -6.597 -1.789 4.042 312 3HB ALA 40 3HB ALA 40 -5.611 -2.408 5.366 313 H LYS 41 H LYS 41 -4.275 -4.394 3.143 314 HA LYS 41 HA LYS 41 -3.443 -6.283 5.317 315 1HB LYS 41 1HB LYS 41 -2.332 -5.923 2.517 316 2HB LYS 41 2HB LYS 41 -2.034 -7.272 3.612 317 1HG LYS 41 1HG LYS 41 -4.355 -7.966 3.472 318 2HG LYS 41 2HG LYS 41 -4.769 -6.531 2.534 319 1HD LYS 41 1HD LYS 41 -3.668 -7.310 0.623 320 2HD LYS 41 2HD LYS 41 -2.628 -8.395 1.544 321 1HE LYS 41 1HE LYS 41 -5.618 -8.829 1.484 322 2HE LYS 41 2HE LYS 41 -4.579 -9.462 0.191 323 1HZ LYS 41 1HZ LYS 41 -4.529 -10.054 3.087 324 2HZ LYS 41 2HZ LYS 41 -3.125 -10.250 2.150 325 3HZ LYS 41 3HZ LYS 41 -4.526 -11.139 1.783 326 H ARG 42 H ARG 42 -0.661 -6.186 4.733 327 HA ARG 42 HA ARG 42 0.063 -3.692 6.089 328 1HB ARG 42 1HB ARG 42 1.962 -4.869 6.597 329 2HB ARG 42 2HB ARG 42 1.000 -6.237 6.124 330 1HG ARG 42 1HG ARG 42 2.809 -4.719 4.288 331 2HG ARG 42 2HG ARG 42 3.239 -6.218 5.109 332 1HD ARG 42 1HD ARG 42 0.730 -6.222 3.526 333 2HD ARG 42 2HD ARG 42 2.262 -6.214 2.639 334 HE ARG 42 HE ARG 42 2.411 -8.107 4.790 335 1HH1 ARG 42 1HH2 ARG 42 3.136 -8.685 1.917 336 2HH1 ARG 42 2HH2 ARG 42 1.950 -9.874 1.488 337 1HH2 ARG 42 1HH1 ARG 42 -0.120 -9.169 4.178 338 2HH2 ARG 42 2HH1 ARG 42 0.110 -10.148 2.767 339 H ASN 43 H ASN 43 0.008 -4.869 2.842 340 HA ASN 43 HA ASN 43 1.880 -2.812 1.838 341 1HB ASN 43 1HB ASN 43 1.651 -5.268 1.070 342 2HB ASN 43 2HB ASN 43 0.165 -4.755 0.269 343 1HD2 ASN 43 1HD2 ASN 43 3.698 -4.313 0.299 344 2HD2 ASN 43 2HD2 ASN 43 3.790 -3.592 -1.234 345 H ASN 44 H ASN 44 -0.161 -1.545 3.042 346 HA ASN 44 HA ASN 44 -1.531 -0.155 0.843 347 1HB ASN 44 1HB ASN 44 -3.052 -1.987 1.156 348 2HB ASN 44 2HB ASN 44 -2.897 -1.904 2.909 349 1HD2 ASN 44 1HD2 ASN 44 -5.455 -1.834 2.178 350 2HD2 ASN 44 2HD2 ASN 44 -6.101 -0.255 2.195 351 H PHE 45 H PHE 45 0.051 1.355 1.971 352 HA PHE 45 HA PHE 45 -0.620 2.219 4.696 353 1HB PHE 45 1HB PHE 45 1.286 3.431 2.673 354 2HB PHE 45 2HB PHE 45 1.374 3.546 4.431 355 HD1 PHE 45 1HD PHE 45 2.020 1.555 5.790 356 HD2 PHE 45 2HD PHE 45 2.008 1.432 1.494 357 HE1 PHE 45 1HE PHE 45 3.355 -0.538 5.846 358 HE2 PHE 45 2HE PHE 45 3.344 -0.661 1.548 359 HZ PHE 45 HZ PHE 45 4.020 -1.665 3.724 360 H LYS 46 H LYS 46 -1.878 3.958 5.208 361 HA LYS 46 HA LYS 46 -3.664 5.162 3.361 362 1HB LYS 46 1HB LYS 46 -4.179 5.077 5.687 363 2HB LYS 46 2HB LYS 46 -2.659 5.860 6.125 364 1HG LYS 46 1HG LYS 46 -4.515 7.463 6.286 365 2HG LYS 46 2HG LYS 46 -3.423 7.930 4.981 366 1HD LYS 46 1HD LYS 46 -4.957 6.677 3.396 367 2HD LYS 46 2HD LYS 46 -6.092 6.515 4.736 368 1HE LYS 46 1HE LYS 46 -5.035 9.156 3.655 369 2HE LYS 46 2HE LYS 46 -6.653 8.493 3.351 370 1HZ LYS 46 1HZ LYS 46 -6.655 10.001 5.260 371 2HZ LYS 46 2HZ LYS 46 -5.465 9.058 6.025 372 3HZ LYS 46 3HZ LYS 46 -7.014 8.417 5.748 373 H SER 47 H SER 47 -0.365 5.996 4.143 374 HA SER 47 HA SER 47 -0.583 8.344 2.305 375 1HB SER 47 1HB SER 47 0.607 9.718 3.939 376 2HB SER 47 2HB SER 47 -0.842 9.051 4.683 377 HG SER 47 HG SER 47 0.407 8.184 6.096 378 H ALA 48 H ALA 48 1.570 9.047 1.519 379 HA ALA 48 HA ALA 48 3.255 6.839 0.764 380 1HB ALA 48 1HB ALA 48 3.058 8.801 -0.625 381 2HB ALA 48 2HB ALA 48 4.716 8.782 -0.026 382 3HB ALA 48 3HB ALA 48 3.527 9.861 0.703 383 H GLU 49 H GLU 49 3.245 9.103 3.432 384 HA GLU 49 HA GLU 49 5.991 8.628 4.287 385 1HB GLU 49 1HB GLU 49 3.503 9.807 5.555 386 2HB GLU 49 2HB GLU 49 5.068 9.777 6.369 387 1HG GLU 49 1HG GLU 49 6.042 10.988 4.396 388 2HG GLU 49 2HG GLU 49 4.413 11.127 3.731 389 H ASP 50 H ASP 50 2.869 7.127 4.864 390 HA ASP 50 HA ASP 50 3.705 5.598 7.203 391 1HB ASP 50 1HB ASP 50 1.387 5.607 5.268 392 2HB ASP 50 2HB ASP 50 1.527 4.353 6.502 393 H CYS 51 H CYS 51 3.663 5.133 3.715 394 HA CYS 51 HA CYS 51 4.319 2.275 3.845 395 1HB CYS 51 1HB CYS 51 3.024 3.311 2.007 396 2HB CYS 51 2HB CYS 51 4.409 4.326 1.604 397 H MET 52 H MET 52 6.039 5.317 3.092 398 HA MET 52 HA MET 52 8.602 4.039 2.631 399 1HB MET 52 1HB MET 52 7.429 6.749 2.813 400 2HB MET 52 2HB MET 52 9.137 6.655 3.245 401 1HG MET 52 1HG MET 52 8.796 5.034 0.945 402 2HG MET 52 2HG MET 52 7.929 6.537 0.631 403 1HE MET 52 1HE MET 52 12.122 5.845 -0.147 404 2HE MET 52 2HE MET 52 10.595 5.063 -0.545 405 3HE MET 52 3HE MET 52 11.342 4.774 1.024 406 H ARG 53 H ARG 53 7.214 5.816 5.431 407 HA ARG 53 HA ARG 53 9.507 5.591 7.121 408 1HB ARG 53 1HB ARG 53 7.992 6.273 8.829 409 2HB ARG 53 2HB ARG 53 7.327 6.964 7.351 410 1HG ARG 53 1HG ARG 53 5.423 5.974 8.238 411 2HG ARG 53 2HG ARG 53 6.032 4.642 7.256 412 1HD ARG 53 1HD ARG 53 6.823 3.466 9.126 413 2HD ARG 53 2HD ARG 53 6.954 4.936 10.113 414 HE ARG 53 HE ARG 53 4.219 4.384 9.248 415 1HH1 ARG 53 1HH1 ARG 53 6.102 5.038 11.885 416 2HH1 ARG 53 2HH1 ARG 53 5.266 4.002 12.992 417 1HH2 ARG 53 1HH2 ARG 53 3.377 2.454 10.537 418 2HH2 ARG 53 2HH2 ARG 53 3.726 2.542 12.231 419 H THR 54 H THR 54 7.305 3.233 5.967 420 HA THR 54 HA THR 54 7.829 1.334 8.184 421 HB THR 54 HB THR 54 6.135 1.221 5.657 422 HG1 THR 54 1HG THR 54 4.676 2.091 6.874 423 1HG2 THR 54 1HG2 THR 54 7.013 -0.988 6.578 424 2HG2 THR 54 2HG2 THR 54 5.261 -0.837 6.448 425 3HG2 THR 54 3HG2 THR 54 6.048 -0.659 8.016 426 H CYS 55 H CYS 55 8.092 1.344 4.609 427 HA CYS 55 HA CYS 55 10.295 -0.678 4.854 428 1HB CYS 55 1HB CYS 55 8.415 -0.046 2.559 429 2HB CYS 55 2HB CYS 55 9.540 -1.403 2.639 430 H GLY 56 H GLY 56 10.441 2.388 4.884 431 1HA GLY 56 1HA GLY 56 11.632 3.128 2.333 432 2HA GLY 56 2HA GLY 56 11.656 4.101 3.807 433 H GLY 57 H GLY 57 13.974 4.367 2.847 434 1HA GLY 57 1HA GLY 57 16.106 3.896 4.122 435 2HA GLY 57 2HA GLY 57 15.705 2.186 3.950 436 H ALA 58 H ALA 58 14.658 3.257 1.135 437 HA ALA 58 HA ALA 58 16.640 2.176 -0.510 438 1HB ALA 58 1HB ALA 58 14.378 4.063 -0.723 439 2HB ALA 58 2HB ALA 58 14.755 2.650 -1.708 440 3HB ALA 58 3HB ALA 58 15.557 4.188 -2.028 Start of MODEL 6 1 1H ARG 1 1H ARG 1 14.101 -6.387 6.019 2 2H ARG 1 2H ARG 1 14.884 -5.420 4.862 3 3H ARG 1 3H ARG 1 14.325 -6.969 4.441 4 HA ARG 1 HA ARG 1 12.579 -4.695 5.241 5 1HB ARG 1 1HB ARG 1 13.440 -4.071 3.179 6 2HB ARG 1 2HB ARG 1 13.718 -5.735 2.670 7 1HG ARG 1 1HG ARG 1 11.278 -6.045 2.389 8 2HG ARG 1 2HG ARG 1 11.012 -4.375 2.888 9 1HD ARG 1 1HD ARG 1 12.388 -5.377 0.379 10 2HD ARG 1 2HD ARG 1 11.019 -4.255 0.506 11 HE ARG 1 HE ARG 1 12.596 -2.585 1.440 12 1HH1 ARG 1 1HH2 ARG 1 13.658 -4.479 -1.039 13 2HH1 ARG 1 2HH2 ARG 1 15.353 -4.265 -0.752 14 1HH2 ARG 1 1HH1 ARG 1 14.907 -2.724 2.323 15 2HH2 ARG 1 2HH1 ARG 1 16.059 -3.272 1.152 16 HA PRO 2 HA PRO 2 9.606 -7.860 5.929 17 1HB PRO 2 1HB PRO 2 7.356 -6.365 5.463 18 2HB PRO 2 2HB PRO 2 8.308 -6.261 6.952 19 1HG PRO 2 1HG PRO 2 8.348 -4.511 4.526 20 2HG PRO 2 2HG PRO 2 8.387 -4.050 6.235 21 1HD PRO 2 1HD PRO 2 10.610 -4.095 4.687 22 2HD PRO 2 2HD PRO 2 10.651 -4.503 6.420 23 H ASP 3 H ASP 3 8.095 -9.165 4.768 24 HA ASP 3 HA ASP 3 8.522 -9.238 1.887 25 1HB ASP 3 1HB ASP 3 6.856 -11.160 2.138 26 2HB ASP 3 2HB ASP 3 8.320 -11.298 3.111 27 H PHE 4 H PHE 4 5.987 -8.060 4.065 28 HA PHE 4 HA PHE 4 3.925 -7.826 2.043 29 1HB PHE 4 1HB PHE 4 2.751 -6.602 3.723 30 2HB PHE 4 2HB PHE 4 3.724 -7.778 4.601 31 HD1 PHE 4 1HD PHE 4 3.854 -4.230 3.340 32 HD2 PHE 4 2HD PHE 4 5.140 -7.064 6.310 33 HE1 PHE 4 1HE PHE 4 4.930 -2.415 4.618 34 HE2 PHE 4 2HE PHE 4 6.218 -5.230 7.583 35 HZ PHE 4 HZ PHE 4 6.106 -2.903 6.731 36 H CYS 5 H CYS 5 6.788 -6.077 2.669 37 HA CYS 5 HA CYS 5 5.947 -3.532 1.522 38 1HB CYS 5 1HB CYS 5 7.683 -3.524 3.140 39 2HB CYS 5 2HB CYS 5 8.527 -4.862 2.365 40 H LEU 6 H LEU 6 7.405 -6.523 0.372 41 HA LEU 6 HA LEU 6 7.914 -5.345 -2.317 42 1HB LEU 6 1HB LEU 6 8.374 -8.157 -1.280 43 2HB LEU 6 2HB LEU 6 9.133 -7.398 -2.682 44 HG LEU 6 HG LEU 6 9.418 -6.383 0.157 45 1HD1 LEU 6 1HD1 LEU 6 10.499 -8.526 0.092 46 2HD1 LEU 6 2HD1 LEU 6 11.776 -7.325 -0.105 47 3HD1 LEU 6 3HD1 LEU 6 11.172 -8.209 -1.506 48 1HD2 LEU 6 1HD2 LEU 6 10.313 -5.516 -2.532 49 2HD2 LEU 6 2HD2 LEU 6 11.557 -5.479 -1.283 50 3HD2 LEU 6 3HD2 LEU 6 10.065 -4.563 -1.070 51 H GLU 7 H GLU 7 5.455 -6.920 -0.612 52 HA GLU 7 HA GLU 7 4.360 -8.555 -2.756 53 1HB GLU 7 1HB GLU 7 3.620 -7.612 -0.022 54 2HB GLU 7 2HB GLU 7 2.312 -8.187 -1.055 55 1HG GLU 7 1HG GLU 7 4.859 -9.749 -0.556 56 2HG GLU 7 2HG GLU 7 3.381 -9.976 0.379 57 HA PRO 8 HA PRO 8 2.135 -5.468 -4.939 58 1HB PRO 8 1HB PRO 8 -0.114 -6.845 -5.678 59 2HB PRO 8 2HB PRO 8 1.479 -7.124 -6.410 60 1HG PRO 8 1HG PRO 8 0.033 -8.686 -4.326 61 2HG PRO 8 2HG PRO 8 1.047 -9.254 -5.659 62 1HD PRO 8 1HD PRO 8 1.871 -9.071 -3.040 63 2HD PRO 8 2HD PRO 8 2.967 -9.027 -4.438 64 HA PRO 9 HA PRO 9 -0.793 -3.610 -2.248 65 1HB PRO 9 1HB PRO 9 -2.391 -2.253 -4.023 66 2HB PRO 9 2HB PRO 9 -0.751 -1.736 -3.587 67 1HG PRO 9 1HG PRO 9 -1.714 -3.202 -6.000 68 2HG PRO 9 2HG PRO 9 -0.488 -1.930 -5.864 69 1HD PRO 9 1HD PRO 9 0.094 -4.593 -6.111 70 2HD PRO 9 2HD PRO 9 1.161 -3.420 -5.305 71 H TYR 10 H TYR 10 -3.275 -3.448 -1.885 72 HA TYR 10 HA TYR 10 -4.688 -5.823 -3.076 73 1HB TYR 10 1HB TYR 10 -3.604 -6.126 -0.772 74 2HB TYR 10 2HB TYR 10 -4.788 -4.964 -0.176 75 HD1 TYR 10 1HD TYR 10 -6.926 -5.691 0.453 76 HD2 TYR 10 2HD TYR 10 -4.529 -8.154 -2.125 77 HE1 TYR 10 1HE TYR 10 -8.627 -7.489 0.589 78 HE2 TYR 10 2HE TYR 10 -6.230 -9.953 -1.988 79 HH TYR 10 HH TYR 10 -8.806 -10.013 -1.502 80 H THR 11 H THR 11 -6.017 -4.483 -4.378 81 HA THR 11 HA THR 11 -7.417 -2.156 -3.503 82 HB THR 11 HB THR 11 -7.748 -4.267 -5.627 83 HG1 THR 11 1HG THR 11 -6.282 -2.533 -5.877 84 1HG2 THR 11 1HG2 THR 11 -9.784 -2.233 -4.768 85 2HG2 THR 11 2HG2 THR 11 -10.029 -3.896 -5.300 86 3HG2 THR 11 3HG2 THR 11 -9.633 -2.644 -6.477 87 H GLY 12 H GLY 12 -7.841 -5.545 -2.899 88 1HA GLY 12 1HA GLY 12 -9.314 -6.644 -1.421 89 2HA GLY 12 2HA GLY 12 -9.848 -5.058 -0.868 90 HA PRO 13 HA PRO 13 -12.786 -7.069 -4.062 91 1HB PRO 13 1HB PRO 13 -14.211 -8.855 -2.554 92 2HB PRO 13 2HB PRO 13 -12.762 -9.304 -3.476 93 1HG PRO 13 1HG PRO 13 -13.089 -8.765 -0.567 94 2HG PRO 13 2HG PRO 13 -12.068 -9.956 -1.386 95 1HD PRO 13 1HD PRO 13 -11.171 -7.563 -0.350 96 2HD PRO 13 2HD PRO 13 -10.355 -8.468 -1.644 97 H CYS 14 H CYS 14 -13.086 -4.659 -2.978 98 HA CYS 14 HA CYS 14 -15.788 -4.704 -1.670 99 1HB CYS 14 1HB CYS 14 -13.231 -3.322 -1.046 100 2HB CYS 14 2HB CYS 14 -14.696 -2.359 -0.857 101 H LYS 15 H LYS 15 -16.457 -2.077 -1.850 102 HA LYS 15 HA LYS 15 -16.531 -1.616 -4.803 103 1HB LYS 15 1HB LYS 15 -18.414 -1.563 -2.619 104 2HB LYS 15 2HB LYS 15 -18.371 0.022 -3.394 105 1HG LYS 15 1HG LYS 15 -19.122 -0.805 -5.424 106 2HG LYS 15 2HG LYS 15 -18.445 -2.409 -5.139 107 1HD LYS 15 1HD LYS 15 -20.241 -2.390 -3.156 108 2HD LYS 15 2HD LYS 15 -21.046 -1.250 -4.235 109 1HE LYS 15 1HE LYS 15 -21.530 -2.881 -5.778 110 2HE LYS 15 2HE LYS 15 -19.982 -3.711 -5.525 111 1HZ LYS 15 1HZ LYS 15 -20.797 -4.860 -3.753 112 2HZ LYS 15 2HZ LYS 15 -22.268 -4.647 -4.576 113 3HZ LYS 15 3HZ LYS 15 -21.858 -3.623 -3.283 114 H ALA 16 H ALA 16 -15.734 -0.091 -1.707 115 HA ALA 16 HA ALA 16 -15.446 2.603 -2.549 116 1HB ALA 16 1HB ALA 16 -13.520 2.298 -0.657 117 2HB ALA 16 2HB ALA 16 -14.435 0.811 -0.404 118 3HB ALA 16 3HB ALA 16 -15.239 2.375 -0.273 119 H ARG 17 H ARG 17 -13.518 3.768 -3.209 120 HA ARG 17 HA ARG 17 -11.247 2.115 -4.217 121 1HB ARG 17 1HB ARG 17 -11.460 3.458 -6.376 122 2HB ARG 17 2HB ARG 17 -12.750 2.289 -6.091 123 1HG ARG 17 1HG ARG 17 -14.296 3.958 -5.506 124 2HG ARG 17 2HG ARG 17 -13.031 5.129 -5.129 125 1HD ARG 17 1HD ARG 17 -12.510 5.419 -7.480 126 2HD ARG 17 2HD ARG 17 -13.576 4.071 -7.929 127 HE ARG 17 HE ARG 17 -15.481 5.458 -7.088 128 1HH1 ARG 17 1HH2 ARG 17 -14.267 6.956 -9.390 129 2HH1 ARG 17 2HH2 ARG 17 -14.097 8.550 -8.732 130 1HH2 ARG 17 1HH1 ARG 17 -14.464 7.521 -5.443 131 2HH2 ARG 17 2HH1 ARG 17 -14.212 8.870 -6.500 132 H ILE 18 H ILE 18 -10.306 3.262 -2.265 133 HA ILE 18 HA ILE 18 -9.877 6.178 -2.567 134 HB ILE 18 HB ILE 18 -8.765 4.303 -0.470 135 1HG1 ILE 18 1HG1 ILE 18 -11.494 5.628 -0.452 136 2HG1 ILE 18 2HG1 ILE 18 -11.228 3.916 -0.783 137 1HG2 ILE 18 1HG2 ILE 18 -7.948 6.298 0.223 138 2HG2 ILE 18 2HG2 ILE 18 -9.605 6.666 0.699 139 3HG2 ILE 18 3HG2 ILE 18 -8.998 7.200 -0.869 140 1HD1 ILE 18 1HD1 ILE 18 -11.479 3.686 1.471 141 2HD1 ILE 18 2HD1 ILE 18 -11.120 5.385 1.780 142 3HD1 ILE 18 3HD1 ILE 18 -9.804 4.238 1.531 143 H ILE 19 H ILE 19 -7.646 7.035 -2.498 144 HA ILE 19 HA ILE 19 -5.796 5.384 -4.121 145 HB ILE 19 HB ILE 19 -5.761 8.271 -3.177 146 1HG1 ILE 19 1HG1 ILE 19 -7.614 7.707 -4.728 147 2HG1 ILE 19 2HG1 ILE 19 -6.431 8.769 -5.494 148 1HG2 ILE 19 1HG2 ILE 19 -3.841 8.617 -4.433 149 2HG2 ILE 19 2HG2 ILE 19 -4.162 7.243 -5.491 150 3HG2 ILE 19 3HG2 ILE 19 -3.548 6.975 -3.860 151 1HD1 ILE 19 1HD1 ILE 19 -6.857 7.073 -7.105 152 2HD1 ILE 19 2HD1 ILE 19 -6.815 5.797 -5.889 153 3HD1 ILE 19 3HD1 ILE 19 -5.324 6.610 -6.364 154 H ARG 20 H ARG 20 -5.246 3.890 -2.321 155 HA ARG 20 HA ARG 20 -3.925 4.953 0.070 156 1HB ARG 20 1HB ARG 20 -4.552 2.270 -1.135 157 2HB ARG 20 2HB ARG 20 -3.427 2.372 0.218 158 1HG ARG 20 1HG ARG 20 -6.300 3.344 0.161 159 2HG ARG 20 2HG ARG 20 -5.657 1.997 1.100 160 1HD ARG 20 1HD ARG 20 -5.515 3.599 2.752 161 2HD ARG 20 2HD ARG 20 -4.005 4.019 1.920 162 HE ARG 20 HE ARG 20 -5.650 5.517 0.484 163 1HH1 ARG 20 1HH2 ARG 20 -7.050 4.497 3.337 164 2HH1 ARG 20 2HH2 ARG 20 -7.354 6.080 3.968 165 1HH2 ARG 20 1HH1 ARG 20 -5.526 7.701 1.509 166 2HH2 ARG 20 2HH1 ARG 20 -6.490 7.894 2.935 167 H TYR 21 H TYR 21 -1.662 3.893 0.570 168 HA TYR 21 HA TYR 21 0.062 4.291 -1.847 169 1HB TYR 21 1HB TYR 21 0.329 4.929 1.087 170 2HB TYR 21 2HB TYR 21 1.754 4.844 0.053 171 HD1 TYR 21 1HD TYR 21 2.077 6.437 -1.789 172 HD2 TYR 21 2HD TYR 21 -1.324 6.685 0.820 173 HE1 TYR 21 1HE TYR 21 1.612 8.729 -2.615 174 HE2 TYR 21 2HE TYR 21 -1.791 8.978 -0.005 175 HH TYR 21 HH TYR 21 -0.359 10.254 -2.781 176 H PHE 22 H PHE 22 1.768 2.838 -2.188 177 HA PHE 22 HA PHE 22 2.161 0.600 -0.277 178 1HB PHE 22 1HB PHE 22 1.540 -1.063 -1.842 179 2HB PHE 22 2HB PHE 22 0.309 0.168 -2.035 180 HD1 PHE 22 1HD PHE 22 3.259 -1.420 -3.541 181 HD2 PHE 22 2HD PHE 22 0.254 1.614 -4.013 182 HE1 PHE 22 1HE PHE 22 3.853 -1.205 -5.939 183 HE2 PHE 22 2HE PHE 22 0.851 1.832 -6.410 184 HZ PHE 22 HZ PHE 22 2.648 0.421 -7.374 185 H TYR 23 H TYR 23 4.182 -0.521 -0.712 186 HA TYR 23 HA TYR 23 6.238 1.262 -1.814 187 1HB TYR 23 1HB TYR 23 6.499 -0.086 0.253 188 2HB TYR 23 2HB TYR 23 6.380 -1.561 -0.707 189 HD1 TYR 23 1HD TYR 23 8.344 -2.522 -1.535 190 HD2 TYR 23 2HD TYR 23 8.303 1.668 -0.589 191 HE1 TYR 23 1HE TYR 23 10.762 -2.386 -2.048 192 HE2 TYR 23 2HE TYR 23 10.723 1.807 -1.116 193 HH TYR 23 HH TYR 23 12.732 -0.430 -1.108 194 H ASN 24 H ASN 24 6.581 1.280 -4.022 195 HA ASN 24 HA ASN 24 5.904 -1.030 -5.702 196 1HB ASN 24 1HB ASN 24 5.530 1.275 -6.434 197 2HB ASN 24 2HB ASN 24 7.237 1.648 -6.222 198 1HD2 ASN 24 1HD2 ASN 24 5.674 1.759 -8.758 199 2HD2 ASN 24 2HD2 ASN 24 6.428 0.674 -9.823 200 H ALA 25 H ALA 25 7.471 -2.561 -4.668 201 HA ALA 25 HA ALA 25 10.215 -2.295 -4.379 202 1HB ALA 25 1HB ALA 25 10.106 -4.798 -5.264 203 2HB ALA 25 2HB ALA 25 8.368 -4.500 -5.230 204 3HB ALA 25 3HB ALA 25 9.317 -4.352 -3.752 205 H LYS 26 H LYS 26 8.390 -2.426 -7.371 206 HA LYS 26 HA LYS 26 10.706 -2.922 -9.084 207 1HB LYS 26 1HB LYS 26 7.970 -1.783 -9.740 208 2HB LYS 26 2HB LYS 26 9.075 -2.588 -10.854 209 1HG LYS 26 1HG LYS 26 7.710 -3.850 -8.455 210 2HG LYS 26 2HG LYS 26 7.329 -4.154 -10.149 211 1HD LYS 26 1HD LYS 26 9.512 -5.134 -10.525 212 2HD LYS 26 2HD LYS 26 10.049 -4.666 -8.911 213 1HE LYS 26 1HE LYS 26 7.880 -6.685 -9.593 214 2HE LYS 26 2HE LYS 26 9.441 -7.012 -8.811 215 1HZ LYS 26 1HZ LYS 26 8.161 -6.716 -6.962 216 2HZ LYS 26 2HZ LYS 26 7.042 -5.707 -7.749 217 3HZ LYS 26 3HZ LYS 26 8.542 -5.087 -7.247 218 H ALA 27 H ALA 27 9.179 -0.127 -7.634 219 HA ALA 27 HA ALA 27 10.649 1.730 -9.448 220 1HB ALA 27 1HB ALA 27 9.202 3.403 -8.432 221 2HB ALA 27 2HB ALA 27 8.700 2.263 -7.185 222 3HB ALA 27 3HB ALA 27 8.216 2.005 -8.860 223 H GLY 28 H GLY 28 10.662 0.496 -6.158 224 1HA GLY 28 1HA GLY 28 12.677 0.564 -4.797 225 2HA GLY 28 2HA GLY 28 13.179 2.010 -5.674 226 H LEU 29 H LEU 29 9.989 2.487 -5.142 227 HA LEU 29 HA LEU 29 10.296 3.534 -2.370 228 1HB LEU 29 1HB LEU 29 9.477 5.719 -3.146 229 2HB LEU 29 2HB LEU 29 10.933 5.276 -4.037 230 HG LEU 29 HG LEU 29 8.451 4.291 -5.271 231 1HD1 LEU 29 1HD1 LEU 29 7.694 6.466 -6.079 232 2HD1 LEU 29 2HD1 LEU 29 8.980 7.278 -5.186 233 3HD1 LEU 29 3HD1 LEU 29 7.677 6.469 -4.315 234 1HD2 LEU 29 1HD2 LEU 29 10.485 4.144 -6.508 235 2HD2 LEU 29 2HD2 LEU 29 10.923 5.810 -6.131 236 3HD2 LEU 29 3HD2 LEU 29 9.597 5.476 -7.246 237 H CYS 30 H CYS 30 7.740 5.055 -2.951 238 HA CYS 30 HA CYS 30 5.866 2.710 -2.910 239 1HB CYS 30 1HB CYS 30 5.925 5.310 -1.354 240 2HB CYS 30 2HB CYS 30 4.542 4.215 -1.350 241 H GLN 31 H GLN 31 3.691 3.182 -3.704 242 HA GLN 31 HA GLN 31 3.399 5.643 -5.358 243 1HB GLN 31 1HB GLN 31 3.215 2.759 -6.277 244 2HB GLN 31 2HB GLN 31 2.609 4.113 -7.228 245 1HG GLN 31 1HG GLN 31 5.189 4.891 -6.479 246 2HG GLN 31 2HG GLN 31 5.348 3.180 -6.881 247 1HE2 GLN 31 1HE2 GLN 31 6.532 3.829 -8.878 248 2HE2 GLN 31 2HE2 GLN 31 5.676 4.424 -10.218 249 H THR 32 H THR 32 1.041 5.768 -6.156 250 HA THR 32 HA THR 32 -0.727 4.982 -3.916 251 HB THR 32 HB THR 32 -2.300 6.444 -5.450 252 HG1 THR 32 1HG THR 32 -0.664 7.934 -6.546 253 1HG2 THR 32 1HG2 THR 32 -0.672 8.477 -4.647 254 2HG2 THR 32 2HG2 THR 32 -0.073 7.157 -3.641 255 3HG2 THR 32 3HG2 THR 32 -1.775 7.617 -3.572 256 H PHE 33 H PHE 33 -2.499 3.611 -4.154 257 HA PHE 33 HA PHE 33 -3.040 2.437 -6.836 258 1HB PHE 33 1HB PHE 33 -2.606 0.232 -6.107 259 2HB PHE 33 2HB PHE 33 -1.292 1.160 -5.396 260 HD1 PHE 33 1HD PHE 33 -1.298 1.715 -2.970 261 HD2 PHE 33 2HD PHE 33 -4.339 -0.752 -4.743 262 HE1 PHE 33 1HE PHE 33 -1.991 0.961 -0.722 263 HE2 PHE 33 2HE PHE 33 -5.029 -1.516 -2.487 264 HZ PHE 33 HZ PHE 33 -3.856 -0.660 -0.474 265 H VAL 34 H VAL 34 -5.104 1.105 -6.747 266 HA VAL 34 HA VAL 34 -7.174 2.604 -5.364 267 HB VAL 34 HB VAL 34 -7.207 -0.005 -6.917 268 1HG1 VAL 34 1HG1 VAL 34 -9.386 1.852 -5.947 269 2HG1 VAL 34 2HG1 VAL 34 -9.261 0.107 -5.727 270 3HG1 VAL 34 3HG1 VAL 34 -9.630 0.770 -7.318 271 1HG2 VAL 34 1HG2 VAL 34 -6.403 2.356 -7.895 272 2HG2 VAL 34 2HG2 VAL 34 -8.144 2.607 -8.023 273 3HG2 VAL 34 3HG2 VAL 34 -7.386 1.247 -8.850 274 H TYR 35 H TYR 35 -7.977 2.200 -3.350 275 HA TYR 35 HA TYR 35 -7.284 -0.410 -2.037 276 1HB TYR 35 1HB TYR 35 -6.290 1.575 -1.034 277 2HB TYR 35 2HB TYR 35 -7.860 2.376 -0.979 278 HD1 TYR 35 1HD TYR 35 -7.341 -1.220 -0.258 279 HD2 TYR 35 2HD TYR 35 -7.958 2.691 1.410 280 HE1 TYR 35 1HE TYR 35 -7.788 -2.236 1.960 281 HE2 TYR 35 2HE TYR 35 -8.401 1.675 3.628 282 HH TYR 35 HH TYR 35 -8.983 -0.340 4.642 283 H GLY 36 H GLY 36 -8.992 -1.564 -0.998 284 1HA GLY 36 1HA GLY 36 -11.721 -0.742 -1.821 285 2HA GLY 36 2HA GLY 36 -11.257 -2.351 -1.276 286 H ALA 37 H ALA 37 -9.902 -0.003 0.752 287 HA ALA 37 HA ALA 37 -10.441 0.661 2.959 288 1HB ALA 37 1HB ALA 37 -13.002 0.640 1.418 289 2HB ALA 37 2HB ALA 37 -12.170 1.991 2.186 290 3HB ALA 37 3HB ALA 37 -13.093 0.851 3.164 291 H CYS 38 H CYS 38 -10.726 -2.376 1.940 292 HA CYS 38 HA CYS 38 -11.487 -3.367 4.628 293 1HB CYS 38 1HB CYS 38 -13.254 -4.769 3.778 294 2HB CYS 38 2HB CYS 38 -13.552 -3.142 3.167 295 H ARG 39 H ARG 39 -10.989 -5.746 4.816 296 HA ARG 39 HA ARG 39 -9.303 -7.413 4.635 297 1HB ARG 39 1HB ARG 39 -10.406 -6.912 1.865 298 2HB ARG 39 2HB ARG 39 -9.269 -8.225 2.182 299 1HG ARG 39 1HG ARG 39 -10.801 -9.128 3.901 300 2HG ARG 39 2HG ARG 39 -11.937 -7.818 3.574 301 1HD ARG 39 1HD ARG 39 -12.182 -8.606 1.242 302 2HD ARG 39 2HD ARG 39 -11.023 -9.911 1.562 303 HE ARG 39 HE ARG 39 -12.945 -10.115 3.588 304 1HH1 ARG 39 1HH2 ARG 39 -14.306 -9.082 0.864 305 2HH1 ARG 39 2HH2 ARG 39 -15.056 -10.566 0.384 306 1HH2 ARG 39 1HH1 ARG 39 -13.305 -12.500 2.670 307 2HH2 ARG 39 2HH1 ARG 39 -14.492 -12.502 1.408 308 H ALA 40 H ALA 40 -8.254 -4.712 4.659 309 HA ALA 40 HA ALA 40 -6.259 -4.443 2.537 310 1HB ALA 40 1HB ALA 40 -6.188 -2.340 3.386 311 2HB ALA 40 2HB ALA 40 -5.881 -2.931 5.018 312 3HB ALA 40 3HB ALA 40 -7.533 -2.837 4.410 313 H LYS 41 H LYS 41 -3.935 -4.504 2.931 314 HA LYS 41 HA LYS 41 -3.137 -6.290 5.211 315 1HB LYS 41 1HB LYS 41 -1.926 -6.094 2.434 316 2HB LYS 41 2HB LYS 41 -1.557 -7.303 3.664 317 1HG LYS 41 1HG LYS 41 -3.772 -8.245 3.503 318 2HG LYS 41 2HG LYS 41 -4.319 -6.917 2.477 319 1HD LYS 41 1HD LYS 41 -3.876 -8.642 0.932 320 2HD LYS 41 2HD LYS 41 -2.406 -7.668 0.880 321 1HE LYS 41 1HE LYS 41 -1.879 -10.097 1.061 322 2HE LYS 41 2HE LYS 41 -1.340 -9.223 2.509 323 1HZ LYS 41 1HZ LYS 41 -2.920 -11.360 2.611 324 2HZ LYS 41 2HZ LYS 41 -4.107 -10.153 2.471 325 3HZ LYS 41 3HZ LYS 41 -2.997 -10.112 3.757 326 H ARG 42 H ARG 42 -0.396 -6.057 5.010 327 HA ARG 42 HA ARG 42 0.099 -3.416 6.098 328 1HB ARG 42 1HB ARG 42 2.089 -5.498 5.142 329 2HB ARG 42 2HB ARG 42 2.347 -4.263 6.371 330 1HG ARG 42 1HG ARG 42 0.419 -5.354 7.658 331 2HG ARG 42 2HG ARG 42 0.565 -6.702 6.529 332 1HD ARG 42 1HD ARG 42 3.123 -5.788 7.724 333 2HD ARG 42 2HD ARG 42 1.982 -6.542 8.855 334 HE ARG 42 HE ARG 42 3.023 -7.819 6.353 335 1HH1 ARG 42 1HH1 ARG 42 0.247 -8.539 7.597 336 2HH1 ARG 42 2HH1 ARG 42 0.673 -9.985 8.448 337 1HH2 ARG 42 1HH2 ARG 42 4.088 -9.423 8.228 338 2HH2 ARG 42 2HH2 ARG 42 2.848 -10.486 8.806 339 H ASN 43 H ASN 43 0.177 -4.749 2.896 340 HA ASN 43 HA ASN 43 2.007 -2.700 1.824 341 1HB ASN 43 1HB ASN 43 1.598 -5.194 1.118 342 2HB ASN 43 2HB ASN 43 0.224 -4.534 0.230 343 1HD2 ASN 43 1HD2 ASN 43 3.680 -3.586 0.754 344 2HD2 ASN 43 2HD2 ASN 43 3.979 -3.236 -0.879 345 H ASN 44 H ASN 44 0.035 -1.300 3.033 346 HA ASN 44 HA ASN 44 -1.304 0.077 0.808 347 1HB ASN 44 1HB ASN 44 -2.859 -1.733 1.123 348 2HB ASN 44 2HB ASN 44 -2.760 -1.596 2.877 349 1HD2 ASN 44 1HD2 ASN 44 -5.300 -1.484 2.004 350 2HD2 ASN 44 2HD2 ASN 44 -5.908 0.111 1.983 351 H PHE 45 H PHE 45 0.157 1.706 1.864 352 HA PHE 45 HA PHE 45 -0.534 2.578 4.594 353 1HB PHE 45 1HB PHE 45 1.328 3.853 2.573 354 2HB PHE 45 2HB PHE 45 1.409 3.965 4.332 355 HD1 PHE 45 1HD PHE 45 2.160 1.926 1.389 356 HD2 PHE 45 2HD PHE 45 2.092 1.975 5.685 357 HE1 PHE 45 1HE PHE 45 3.566 -0.118 1.432 358 HE2 PHE 45 2HE PHE 45 3.499 -0.068 5.729 359 HZ PHE 45 HZ PHE 45 4.232 -1.123 3.602 360 H LYS 46 H LYS 46 -1.543 4.561 5.081 361 HA LYS 46 HA LYS 46 -3.465 5.572 3.177 362 1HB LYS 46 1HB LYS 46 -3.886 5.524 5.560 363 2HB LYS 46 2HB LYS 46 -2.451 6.497 5.882 364 1HG LYS 46 1HG LYS 46 -3.452 8.393 4.676 365 2HG LYS 46 2HG LYS 46 -4.875 7.418 4.303 366 1HD LYS 46 1HD LYS 46 -5.376 7.196 6.694 367 2HD LYS 46 2HD LYS 46 -3.910 8.088 7.104 368 1HE LYS 46 1HE LYS 46 -4.902 9.995 5.645 369 2HE LYS 46 2HE LYS 46 -6.436 9.114 5.796 370 1HZ LYS 46 1HZ LYS 46 -4.756 10.328 7.898 371 2HZ LYS 46 2HZ LYS 46 -5.734 8.992 8.281 372 3HZ LYS 46 3HZ LYS 46 -6.437 10.421 7.690 373 H SER 47 H SER 47 -0.198 6.524 4.063 374 HA SER 47 HA SER 47 -0.366 8.722 2.040 375 1HB SER 47 1HB SER 47 0.744 10.220 3.623 376 2HB SER 47 2HB SER 47 -0.723 9.581 4.357 377 HG SER 47 HG SER 47 1.728 9.398 5.278 378 H ALA 48 H ALA 48 1.791 9.360 1.241 379 HA ALA 48 HA ALA 48 3.530 7.138 0.720 380 1HB ALA 48 1HB ALA 48 3.290 9.083 -0.752 381 2HB ALA 48 2HB ALA 48 4.971 8.957 -0.233 382 3HB ALA 48 3HB ALA 48 3.905 10.147 0.512 383 H GLU 49 H GLU 49 3.380 9.486 3.295 384 HA GLU 49 HA GLU 49 6.120 9.204 4.219 385 1HB GLU 49 1HB GLU 49 4.542 11.121 4.638 386 2HB GLU 49 2HB GLU 49 3.607 10.061 5.694 387 1HG GLU 49 1HG GLU 49 4.981 10.865 7.323 388 2HG GLU 49 2HG GLU 49 6.134 9.697 6.678 389 H ASP 50 H ASP 50 3.104 7.478 4.775 390 HA ASP 50 HA ASP 50 4.099 6.005 7.107 391 1HB ASP 50 1HB ASP 50 1.641 6.401 5.583 392 2HB ASP 50 2HB ASP 50 1.874 4.704 6.006 393 H CYS 51 H CYS 51 3.890 5.548 3.625 394 HA CYS 51 HA CYS 51 4.593 2.703 3.697 395 1HB CYS 51 1HB CYS 51 3.221 3.806 1.928 396 2HB CYS 51 2HB CYS 51 4.627 4.765 1.464 397 H MET 52 H MET 52 6.260 5.768 2.907 398 HA MET 52 HA MET 52 8.823 4.574 2.326 399 1HB MET 52 1HB MET 52 7.983 6.862 1.679 400 2HB MET 52 2HB MET 52 8.148 7.346 3.368 401 1HG MET 52 1HG MET 52 10.431 7.435 3.249 402 2HG MET 52 2HG MET 52 10.528 6.048 2.165 403 1HE MET 52 1HE MET 52 9.654 7.261 -1.223 404 2HE MET 52 2HE MET 52 9.508 6.005 0.005 405 3HE MET 52 3HE MET 52 11.103 6.481 -0.574 406 H ARG 53 H ARG 53 7.553 6.230 5.235 407 HA ARG 53 HA ARG 53 9.814 5.871 6.915 408 1HB ARG 53 1HB ARG 53 7.957 7.353 7.434 409 2HB ARG 53 2HB ARG 53 6.829 5.997 7.454 410 1HG ARG 53 1HG ARG 53 9.043 5.493 9.249 411 2HG ARG 53 2HG ARG 53 8.281 7.035 9.637 412 1HD ARG 53 1HD ARG 53 6.914 4.328 9.422 413 2HD ARG 53 2HD ARG 53 7.088 5.329 10.877 414 HE ARG 53 HE ARG 53 5.317 5.918 8.554 415 1HH1 ARG 53 1HH2 ARG 53 4.091 5.761 11.202 416 2HH1 ARG 53 2HH2 ARG 53 4.037 7.411 11.722 417 1HH2 ARG 53 1HH1 ARG 53 6.359 8.503 9.393 418 2HH2 ARG 53 2HH1 ARG 53 5.320 8.963 10.700 419 H THR 54 H THR 54 7.482 3.586 5.756 420 HA THR 54 HA THR 54 8.023 1.607 7.890 421 HB THR 54 HB THR 54 6.268 1.801 5.438 422 HG1 THR 54 1HG THR 54 5.058 1.065 7.687 423 1HG2 THR 54 1HG2 THR 54 6.291 -0.440 5.240 424 2HG2 THR 54 2HG2 THR 54 5.566 -0.528 6.847 425 3HG2 THR 54 3HG2 THR 54 7.318 -0.604 6.664 426 H CYS 55 H CYS 55 8.473 1.901 4.350 427 HA CYS 55 HA CYS 55 10.659 -0.146 4.561 428 1HB CYS 55 1HB CYS 55 8.266 -0.572 3.431 429 2HB CYS 55 2HB CYS 55 9.062 0.203 2.062 430 H GLY 56 H GLY 56 11.213 2.614 4.773 431 1HA GLY 56 1HA GLY 56 12.158 3.391 2.055 432 2HA GLY 56 2HA GLY 56 12.012 4.488 3.430 433 H GLY 57 H GLY 57 13.323 1.442 4.241 434 1HA GLY 57 1HA GLY 57 15.943 2.675 4.746 435 2HA GLY 57 2HA GLY 57 15.450 1.053 5.232 436 H ALA 58 H ALA 58 15.959 2.875 2.182 437 HA ALA 58 HA ALA 58 17.401 0.458 1.137 438 1HB ALA 58 1HB ALA 58 16.332 0.868 -0.984 439 2HB ALA 58 2HB ALA 58 15.724 2.431 -0.438 440 3HB ALA 58 3HB ALA 58 15.067 0.941 0.242 Start of MODEL 7 1 1H ARG 1 1H ARG 1 14.914 -6.514 4.914 2 2H ARG 1 2H ARG 1 14.824 -5.343 6.143 3 3H ARG 1 3H ARG 1 15.612 -4.987 4.679 4 HA ARG 1 HA ARG 1 13.224 -4.096 5.046 5 1HB ARG 1 1HB ARG 1 14.826 -5.054 2.830 6 2HB ARG 1 2HB ARG 1 13.112 -5.207 2.450 7 1HG ARG 1 1HG ARG 1 13.505 -2.690 3.745 8 2HG ARG 1 2HG ARG 1 14.714 -2.839 2.470 9 1HD ARG 1 1HD ARG 1 12.823 -3.517 0.900 10 2HD ARG 1 2HD ARG 1 11.695 -3.054 2.192 11 HE ARG 1 HE ARG 1 12.387 -0.770 1.906 12 1HH1 ARG 1 1HH1 ARG 1 14.529 -2.959 0.339 13 2HH1 ARG 1 2HH1 ARG 1 15.162 -1.772 -0.752 14 1HH2 ARG 1 1HH2 ARG 1 13.079 0.762 0.372 15 2HH2 ARG 1 2HH2 ARG 1 14.340 0.333 -0.733 16 HA PRO 2 HA PRO 2 10.234 -7.278 5.657 17 1HB PRO 2 1HB PRO 2 8.019 -5.960 4.730 18 2HB PRO 2 2HB PRO 2 8.754 -5.632 6.307 19 1HG PRO 2 1HG PRO 2 9.003 -4.159 3.725 20 2HG PRO 2 2HG PRO 2 8.873 -3.518 5.370 21 1HD PRO 2 1HD PRO 2 11.220 -3.679 3.984 22 2HD PRO 2 2HD PRO 2 11.127 -3.760 5.759 23 H ASP 3 H ASP 3 8.805 -8.690 4.417 24 HA ASP 3 HA ASP 3 9.563 -8.808 1.549 25 1HB ASP 3 1HB ASP 3 9.385 -10.665 3.561 26 2HB ASP 3 2HB ASP 3 7.825 -10.871 2.762 27 H PHE 4 H PHE 4 6.822 -8.172 3.668 28 HA PHE 4 HA PHE 4 4.766 -8.564 1.670 29 1HB PHE 4 1HB PHE 4 3.346 -7.395 3.266 30 2HB PHE 4 2HB PHE 4 4.392 -8.524 4.117 31 HD1 PHE 4 1HD PHE 4 3.728 -4.934 3.441 32 HD2 PHE 4 2HD PHE 4 6.151 -7.766 5.587 33 HE1 PHE 4 1HE PHE 4 4.561 -3.125 4.888 34 HE2 PHE 4 2HE PHE 4 6.987 -5.938 7.038 35 HZ PHE 4 HZ PHE 4 6.190 -3.614 6.687 36 H CYS 5 H CYS 5 6.932 -5.905 2.387 37 HA CYS 5 HA CYS 5 5.459 -3.851 0.996 38 1HB CYS 5 1HB CYS 5 8.337 -4.311 1.800 39 2HB CYS 5 2HB CYS 5 7.847 -2.852 0.940 40 H LEU 6 H LEU 6 7.666 -6.400 0.000 41 HA LEU 6 HA LEU 6 8.106 -5.367 -2.695 42 1HB LEU 6 1HB LEU 6 8.408 -8.214 -1.710 43 2HB LEU 6 2HB LEU 6 9.347 -7.392 -2.955 44 HG LEU 6 HG LEU 6 9.421 -6.941 0.036 45 1HD1 LEU 6 1HD1 LEU 6 10.836 -8.695 -1.364 46 2HD1 LEU 6 2HD1 LEU 6 11.591 -7.752 -0.079 47 3HD1 LEU 6 3HD1 LEU 6 11.794 -7.269 -1.763 48 1HD2 LEU 6 1HD2 LEU 6 9.432 -4.728 -0.839 49 2HD2 LEU 6 2HD2 LEU 6 10.402 -5.200 -2.233 50 3HD2 LEU 6 3HD2 LEU 6 11.135 -5.134 -0.631 51 H GLU 7 H GLU 7 5.557 -7.009 -1.102 52 HA GLU 7 HA GLU 7 4.542 -8.486 -3.416 53 1HB GLU 7 1HB GLU 7 3.757 -7.875 -0.597 54 2HB GLU 7 2HB GLU 7 2.489 -8.414 -1.697 55 1HG GLU 7 1HG GLU 7 4.925 -10.005 -1.959 56 2HG GLU 7 2HG GLU 7 4.270 -10.057 -0.322 57 HA PRO 8 HA PRO 8 2.108 -5.337 -5.251 58 1HB PRO 8 1HB PRO 8 -0.191 -6.689 -5.897 59 2HB PRO 8 2HB PRO 8 1.344 -6.909 -6.762 60 1HG PRO 8 1HG PRO 8 0.081 -8.594 -4.649 61 2HG PRO 8 2HG PRO 8 0.965 -9.084 -6.102 62 1HD PRO 8 1HD PRO 8 2.041 -9.065 -3.584 63 2HD PRO 8 2HD PRO 8 3.001 -8.877 -5.069 64 HA PRO 9 HA PRO 9 -0.576 -3.633 -2.227 65 1HB PRO 9 1HB PRO 9 -2.250 -2.122 -3.790 66 2HB PRO 9 2HB PRO 9 -0.574 -1.669 -3.427 67 1HG PRO 9 1HG PRO 9 -1.730 -2.927 -5.870 68 2HG PRO 9 2HG PRO 9 -0.461 -1.700 -5.722 69 1HD PRO 9 1HD PRO 9 0.023 -4.352 -6.201 70 2HD PRO 9 2HD PRO 9 1.177 -3.268 -5.392 71 H TYR 10 H TYR 10 -2.940 -3.547 -1.570 72 HA TYR 10 HA TYR 10 -4.460 -5.863 -2.752 73 1HB TYR 10 1HB TYR 10 -3.515 -6.144 -0.454 74 2HB TYR 10 2HB TYR 10 -4.451 -4.745 0.070 75 HD1 TYR 10 1HD TYR 10 -6.582 -5.101 0.955 76 HD2 TYR 10 2HD TYR 10 -4.912 -8.009 -1.731 77 HE1 TYR 10 1HE TYR 10 -8.561 -6.556 1.301 78 HE2 TYR 10 2HE TYR 10 -6.892 -9.464 -1.385 79 HH TYR 10 HH TYR 10 -9.005 -9.529 -0.561 80 H THR 11 H THR 11 -5.709 -4.611 -4.192 81 HA THR 11 HA THR 11 -7.095 -2.202 -3.503 82 HB THR 11 HB THR 11 -7.308 -4.384 -5.570 83 HG1 THR 11 1HG THR 11 -6.755 -2.677 -6.898 84 1HG2 THR 11 1HG2 THR 11 -9.589 -3.976 -5.484 85 2HG2 THR 11 2HG2 THR 11 -9.081 -2.707 -6.598 86 3HG2 THR 11 3HG2 THR 11 -9.377 -2.325 -4.902 87 H GLY 12 H GLY 12 -7.616 -5.563 -2.816 88 1HA GLY 12 1HA GLY 12 -9.260 -6.635 -1.516 89 2HA GLY 12 2HA GLY 12 -9.665 -5.040 -0.882 90 HA PRO 13 HA PRO 13 -12.941 -6.632 -3.863 91 1HB PRO 13 1HB PRO 13 -14.857 -7.346 -2.042 92 2HB PRO 13 2HB PRO 13 -13.636 -8.474 -2.659 93 1HG PRO 13 1HG PRO 13 -13.759 -7.020 -0.066 94 2HG PRO 13 2HG PRO 13 -13.164 -8.649 -0.420 95 1HD PRO 13 1HD PRO 13 -11.566 -6.428 -0.030 96 2HD PRO 13 2HD PRO 13 -11.070 -7.890 -0.913 97 H CYS 14 H CYS 14 -14.845 -5.760 -1.067 98 HA CYS 14 HA CYS 14 -16.361 -3.947 -0.837 99 1HB CYS 14 1HB CYS 14 -13.533 -3.055 -1.008 100 2HB CYS 14 2HB CYS 14 -14.743 -1.778 -1.126 101 H LYS 15 H LYS 15 -16.296 -1.392 -2.046 102 HA LYS 15 HA LYS 15 -16.432 -1.907 -4.980 103 1HB LYS 15 1HB LYS 15 -18.719 -0.479 -4.580 104 2HB LYS 15 2HB LYS 15 -18.676 -2.237 -4.641 105 1HG LYS 15 1HG LYS 15 -19.921 -1.429 -2.657 106 2HG LYS 15 2HG LYS 15 -18.483 -2.336 -2.190 107 1HD LYS 15 1HD LYS 15 -17.659 -0.546 -1.095 108 2HD LYS 15 2HD LYS 15 -17.815 0.455 -2.538 109 1HE LYS 15 1HE LYS 15 -20.300 0.666 -1.959 110 2HE LYS 15 2HE LYS 15 -19.889 -0.043 -0.385 111 1HZ LYS 15 1HZ LYS 15 -18.663 1.763 0.195 112 2HZ LYS 15 2HZ LYS 15 -19.695 2.559 -0.894 113 3HZ LYS 15 3HZ LYS 15 -18.146 2.072 -1.390 114 H ALA 16 H ALA 16 -14.910 -0.161 -2.863 115 HA ALA 16 HA ALA 16 -15.512 2.523 -4.034 116 1HB ALA 16 1HB ALA 16 -14.498 1.429 -1.468 117 2HB ALA 16 2HB ALA 16 -15.517 2.837 -1.764 118 3HB ALA 16 3HB ALA 16 -13.771 2.948 -1.990 119 H ARG 17 H ARG 17 -13.438 3.912 -4.269 120 HA ARG 17 HA ARG 17 -11.144 2.268 -5.277 121 1HB ARG 17 1HB ARG 17 -13.032 3.401 -6.873 122 2HB ARG 17 2HB ARG 17 -11.900 4.746 -6.735 123 1HG ARG 17 1HG ARG 17 -10.056 3.120 -7.361 124 2HG ARG 17 2HG ARG 17 -11.319 1.941 -7.724 125 1HD ARG 17 1HD ARG 17 -10.498 3.320 -9.724 126 2HD ARG 17 2HD ARG 17 -12.251 3.372 -9.448 127 HE ARG 17 HE ARG 17 -10.599 5.446 -8.107 128 1HH1 ARG 17 1HH1 ARG 17 -12.200 4.615 -11.012 129 2HH1 ARG 17 2HH1 ARG 17 -12.922 6.174 -11.232 130 1HH2 ARG 17 1HH2 ARG 17 -11.777 7.425 -8.209 131 2HH2 ARG 17 2HH2 ARG 17 -12.682 7.764 -9.647 132 H ILE 18 H ILE 18 -10.413 3.068 -3.013 133 HA ILE 18 HA ILE 18 -9.723 5.935 -2.858 134 HB ILE 18 HB ILE 18 -9.275 3.543 -1.046 135 1HG1 ILE 18 1HG1 ILE 18 -11.193 5.875 -0.774 136 2HG1 ILE 18 2HG1 ILE 18 -11.646 4.323 -1.480 137 1HG2 ILE 18 1HG2 ILE 18 -8.545 6.447 -0.815 138 2HG2 ILE 18 2HG2 ILE 18 -7.629 5.024 -0.315 139 3HG2 ILE 18 3HG2 ILE 18 -9.013 5.561 0.637 140 1HD1 ILE 18 1HD1 ILE 18 -10.924 3.205 0.637 141 2HD1 ILE 18 2HD1 ILE 18 -12.258 4.333 0.880 142 3HD1 ILE 18 3HD1 ILE 18 -10.618 4.796 1.333 143 H ILE 19 H ILE 19 -7.503 6.653 -2.605 144 HA ILE 19 HA ILE 19 -5.563 4.957 -4.104 145 HB ILE 19 HB ILE 19 -5.861 7.899 -3.474 146 1HG1 ILE 19 1HG1 ILE 19 -7.135 6.915 -5.378 147 2HG1 ILE 19 2HG1 ILE 19 -5.933 8.088 -5.917 148 1HG2 ILE 19 1HG2 ILE 19 -3.472 6.408 -4.576 149 2HG2 ILE 19 2HG2 ILE 19 -3.513 7.552 -3.234 150 3HG2 ILE 19 3HG2 ILE 19 -3.735 8.125 -4.888 151 1HD1 ILE 19 1HD1 ILE 19 -5.707 6.199 -7.369 152 2HD1 ILE 19 2HD1 ILE 19 -5.762 5.068 -6.017 153 3HD1 ILE 19 3HD1 ILE 19 -4.352 6.105 -6.243 154 H ARG 20 H ARG 20 -4.845 3.607 -2.348 155 HA ARG 20 HA ARG 20 -3.711 4.917 0.061 156 1HB ARG 20 1HB ARG 20 -4.287 2.106 -0.862 157 2HB ARG 20 2HB ARG 20 -3.270 2.391 0.549 158 1HG ARG 20 1HG ARG 20 -6.062 3.523 0.198 159 2HG ARG 20 2HG ARG 20 -5.687 2.069 1.122 160 1HD ARG 20 1HD ARG 20 -5.425 3.500 2.888 161 2HD ARG 20 2HD ARG 20 -3.878 3.923 2.127 162 HE ARG 20 HE ARG 20 -5.705 5.473 0.753 163 1HH1 ARG 20 1HH1 ARG 20 -7.225 5.150 3.435 164 2HH1 ARG 20 2HH1 ARG 20 -6.760 6.617 4.229 165 1HH2 ARG 20 1HH2 ARG 20 -4.149 7.284 2.048 166 2HH2 ARG 20 2HH2 ARG 20 -5.019 7.825 3.443 167 H TYR 21 H TYR 21 -1.482 3.731 0.705 168 HA TYR 21 HA TYR 21 0.317 4.022 -1.668 169 1HB TYR 21 1HB TYR 21 0.560 4.597 1.284 170 2HB TYR 21 2HB TYR 21 1.994 4.468 0.264 171 HD1 TYR 21 1HD TYR 21 -0.686 6.584 1.346 172 HD2 TYR 21 2HD TYR 21 2.077 5.906 -1.865 173 HE1 TYR 21 1HE TYR 21 -1.071 8.897 0.528 174 HE2 TYR 21 2HE TYR 21 1.699 8.219 -2.682 175 HH TYR 21 HH TYR 21 -0.817 10.048 -1.919 176 H PHE 22 H PHE 22 2.008 2.514 -1.934 177 HA PHE 22 HA PHE 22 2.242 0.229 -0.073 178 1HB PHE 22 1HB PHE 22 1.515 -1.394 -1.622 179 2HB PHE 22 2HB PHE 22 0.366 -0.089 -1.850 180 HD1 PHE 22 1HD PHE 22 3.238 -1.876 -3.285 181 HD2 PHE 22 2HD PHE 22 0.431 1.327 -3.852 182 HE1 PHE 22 1HE PHE 22 3.895 -1.723 -5.672 183 HE2 PHE 22 2HE PHE 22 1.088 1.481 -6.238 184 HZ PHE 22 HZ PHE 22 2.821 -0.043 -7.149 185 H TYR 23 H TYR 23 4.186 -1.022 -0.562 186 HA TYR 23 HA TYR 23 6.322 0.669 -1.677 187 1HB TYR 23 1HB TYR 23 6.508 -0.665 0.411 188 2HB TYR 23 2HB TYR 23 6.352 -2.145 -0.536 189 HD1 TYR 23 1HD TYR 23 8.369 -3.205 -1.064 190 HD2 TYR 23 2HD TYR 23 8.292 1.075 -0.707 191 HE1 TYR 23 1HE TYR 23 10.792 -3.120 -1.585 192 HE2 TYR 23 2HE TYR 23 10.716 1.161 -1.231 193 HH TYR 23 HH TYR 23 12.393 -0.234 -2.385 194 H ASN 24 H ASN 24 6.530 0.668 -3.904 195 HA ASN 24 HA ASN 24 5.892 -1.745 -5.488 196 1HB ASN 24 1HB ASN 24 5.253 0.559 -6.177 197 2HB ASN 24 2HB ASN 24 6.957 0.997 -6.242 198 1HD2 ASN 24 1HD2 ASN 24 4.888 0.810 -8.474 199 2HD2 ASN 24 2HD2 ASN 24 5.580 -0.239 -9.615 200 H ALA 25 H ALA 25 7.663 -3.146 -4.713 201 HA ALA 25 HA ALA 25 10.377 -2.593 -4.538 202 1HB ALA 25 1HB ALA 25 9.906 -4.790 -4.049 203 2HB ALA 25 2HB ALA 25 10.399 -5.038 -5.725 204 3HB ALA 25 3HB ALA 25 8.687 -4.911 -5.318 205 H LYS 26 H LYS 26 8.429 -2.971 -7.462 206 HA LYS 26 HA LYS 26 10.586 -3.032 -9.362 207 1HB LYS 26 1HB LYS 26 7.835 -3.272 -9.345 208 2HB LYS 26 2HB LYS 26 8.066 -1.722 -10.155 209 1HG LYS 26 1HG LYS 26 8.196 -3.231 -11.942 210 2HG LYS 26 2HG LYS 26 9.895 -3.021 -11.520 211 1HD LYS 26 1HD LYS 26 10.077 -5.212 -11.021 212 2HD LYS 26 2HD LYS 26 8.737 -5.094 -9.880 213 1HE LYS 26 1HE LYS 26 7.944 -6.653 -11.480 214 2HE LYS 26 2HE LYS 26 7.244 -5.125 -12.048 215 1HZ LYS 26 1HZ LYS 26 9.971 -5.717 -12.894 216 2HZ LYS 26 2HZ LYS 26 8.698 -5.002 -13.765 217 3HZ LYS 26 3HZ LYS 26 8.763 -6.690 -13.580 218 H ALA 27 H ALA 27 8.938 -0.438 -7.633 219 HA ALA 27 HA ALA 27 10.296 1.640 -9.272 220 1HB ALA 27 1HB ALA 27 8.764 3.122 -8.195 221 2HB ALA 27 2HB ALA 27 8.484 1.987 -6.874 222 3HB ALA 27 3HB ALA 27 7.848 1.643 -8.480 223 H GLY 28 H GLY 28 10.685 -0.083 -6.296 224 1HA GLY 28 1HA GLY 28 12.609 -0.015 -4.890 225 2HA GLY 28 2HA GLY 28 13.119 1.466 -5.704 226 H LEU 29 H LEU 29 10.044 2.161 -5.129 227 HA LEU 29 HA LEU 29 10.435 2.970 -2.280 228 1HB LEU 29 1HB LEU 29 9.615 5.213 -2.927 229 2HB LEU 29 2HB LEU 29 11.065 4.794 -3.841 230 HG LEU 29 HG LEU 29 8.574 3.899 -5.117 231 1HD1 LEU 29 1HD1 LEU 29 9.028 6.792 -4.425 232 2HD1 LEU 29 2HD1 LEU 29 7.526 5.868 -4.401 233 3HD1 LEU 29 3HD1 LEU 29 8.233 6.361 -5.939 234 1HD2 LEU 29 1HD2 LEU 29 9.736 4.464 -7.057 235 2HD2 LEU 29 2HD2 LEU 29 11.070 4.131 -5.952 236 3HD2 LEU 29 3HD2 LEU 29 10.589 5.797 -6.281 237 H CYS 30 H CYS 30 7.886 4.567 -2.672 238 HA CYS 30 HA CYS 30 6.000 2.237 -2.664 239 1HB CYS 30 1HB CYS 30 5.934 4.874 -1.168 240 2HB CYS 30 2HB CYS 30 4.710 3.612 -1.046 241 H GLN 31 H GLN 31 4.053 2.468 -3.787 242 HA GLN 31 HA GLN 31 3.679 4.999 -5.349 243 1HB GLN 31 1HB GLN 31 3.504 2.091 -6.189 244 2HB GLN 31 2HB GLN 31 2.872 3.411 -7.175 245 1HG GLN 31 1HG GLN 31 5.502 4.144 -6.366 246 2HG GLN 31 2HG GLN 31 5.583 2.482 -6.951 247 1HE2 GLN 31 1HE2 GLN 31 6.831 3.566 -8.812 248 2HE2 GLN 31 2HE2 GLN 31 5.928 4.213 -10.096 249 H THR 32 H THR 32 1.363 5.289 -6.024 250 HA THR 32 HA THR 32 -0.446 4.522 -3.831 251 HB THR 32 HB THR 32 -1.942 5.964 -5.550 252 HG1 THR 32 1HG THR 32 -0.107 5.856 -7.044 253 1HG2 THR 32 1HG2 THR 32 -0.906 6.445 -3.170 254 2HG2 THR 32 2HG2 THR 32 -1.505 7.774 -4.160 255 3HG2 THR 32 3HG2 THR 32 0.225 7.435 -4.093 256 H PHE 33 H PHE 33 -2.360 3.299 -4.106 257 HA PHE 33 HA PHE 33 -2.841 2.027 -6.754 258 1HB PHE 33 1HB PHE 33 -2.666 -0.176 -5.871 259 2HB PHE 33 2HB PHE 33 -1.268 0.678 -5.234 260 HD1 PHE 33 1HD PHE 33 -4.469 -0.897 -4.431 261 HD2 PHE 33 2HD PHE 33 -1.201 1.407 -2.853 262 HE1 PHE 33 1HE PHE 33 -5.192 -1.443 -2.127 263 HE2 PHE 33 2HE PHE 33 -1.932 0.868 -0.554 264 HZ PHE 33 HZ PHE 33 -3.925 -0.562 -0.190 265 H VAL 34 H VAL 34 -4.990 0.970 -6.819 266 HA VAL 34 HA VAL 34 -7.017 2.602 -5.527 267 HB VAL 34 HB VAL 34 -7.070 0.104 -7.245 268 1HG1 VAL 34 1HG1 VAL 34 -9.161 0.107 -6.112 269 2HG1 VAL 34 2HG1 VAL 34 -9.481 0.895 -7.659 270 3HG1 VAL 34 3HG1 VAL 34 -9.292 1.865 -6.197 271 1HG2 VAL 34 1HG2 VAL 34 -6.825 2.992 -7.723 272 2HG2 VAL 34 2HG2 VAL 34 -8.122 2.242 -8.654 273 3HG2 VAL 34 3HG2 VAL 34 -6.471 1.642 -8.802 274 H TYR 35 H TYR 35 -7.002 2.232 -3.265 275 HA TYR 35 HA TYR 35 -6.995 -0.473 -2.147 276 1HB TYR 35 1HB TYR 35 -5.984 1.393 -0.972 277 2HB TYR 35 2HB TYR 35 -7.490 2.307 -1.037 278 HD1 TYR 35 1HD TYR 35 -7.177 -1.334 -0.360 279 HD2 TYR 35 2HD TYR 35 -7.922 2.556 1.302 280 HE1 TYR 35 1HE TYR 35 -7.916 -2.384 1.764 281 HE2 TYR 35 2HE TYR 35 -8.660 1.508 3.425 282 HH TYR 35 HH TYR 35 -9.491 -0.581 4.251 283 H GLY 36 H GLY 36 -8.812 -1.563 -1.252 284 1HA GLY 36 1HA GLY 36 -11.408 -0.845 -2.385 285 2HA GLY 36 2HA GLY 36 -11.069 -2.260 -1.391 286 H ALA 37 H ALA 37 -9.790 0.319 0.230 287 HA ALA 37 HA ALA 37 -10.563 1.728 1.975 288 1HB ALA 37 1HB ALA 37 -13.408 1.044 1.522 289 2HB ALA 37 2HB ALA 37 -12.569 1.722 0.127 290 3HB ALA 37 3HB ALA 37 -12.637 2.626 1.639 291 H CYS 38 H CYS 38 -11.003 -1.586 1.749 292 HA CYS 38 HA CYS 38 -11.594 -1.738 4.670 293 1HB CYS 38 1HB CYS 38 -13.216 -3.583 4.131 294 2HB CYS 38 2HB CYS 38 -13.720 -2.009 3.516 295 H ARG 39 H ARG 39 -11.163 -4.021 5.476 296 HA ARG 39 HA ARG 39 -9.575 -5.745 5.775 297 1HB ARG 39 1HB ARG 39 -10.028 -5.832 2.775 298 2HB ARG 39 2HB ARG 39 -9.419 -7.162 3.759 299 1HG ARG 39 1HG ARG 39 -11.505 -7.258 5.005 300 2HG ARG 39 2HG ARG 39 -12.103 -5.814 4.189 301 1HD ARG 39 1HD ARG 39 -13.128 -7.562 2.969 302 2HD ARG 39 2HD ARG 39 -11.680 -7.227 1.998 303 HE ARG 39 HE ARG 39 -10.588 -9.137 3.178 304 1HH1 ARG 39 1HH2 ARG 39 -13.808 -9.303 2.317 305 2HH1 ARG 39 2HH2 ARG 39 -14.189 -10.683 3.290 306 1HH2 ARG 39 1HH1 ARG 39 -11.150 -10.679 4.958 307 2HH2 ARG 39 2HH1 ARG 39 -12.682 -11.466 4.782 308 H ALA 40 H ALA 40 -8.421 -3.084 5.419 309 HA ALA 40 HA ALA 40 -6.246 -3.090 3.536 310 1HB ALA 40 1HB ALA 40 -6.509 -0.978 4.351 311 2HB ALA 40 2HB ALA 40 -5.467 -1.513 5.670 312 3HB ALA 40 3HB ALA 40 -7.221 -1.560 5.856 313 H LYS 41 H LYS 41 -4.082 -3.786 3.815 314 HA LYS 41 HA LYS 41 -3.510 -5.316 6.335 315 1HB LYS 41 1HB LYS 41 -2.849 -5.980 3.449 316 2HB LYS 41 2HB LYS 41 -2.337 -6.932 4.842 317 1HG LYS 41 1HG LYS 41 -4.442 -7.774 5.206 318 2HG LYS 41 2HG LYS 41 -5.239 -6.301 4.653 319 1HD LYS 41 1HD LYS 41 -5.435 -7.096 2.546 320 2HD LYS 41 2HD LYS 41 -3.752 -7.625 2.514 321 1HE LYS 41 1HE LYS 41 -5.750 -9.187 4.138 322 2HE LYS 41 2HE LYS 41 -5.661 -9.435 2.384 323 1HZ LYS 41 1HZ LYS 41 -4.102 -10.844 3.730 324 2HZ LYS 41 2HZ LYS 41 -3.291 -9.423 4.181 325 3HZ LYS 41 3HZ LYS 41 -3.344 -9.893 2.548 326 H ARG 42 H ARG 42 -0.853 -6.003 5.476 327 HA ARG 42 HA ARG 42 0.588 -3.646 6.300 328 1HB ARG 42 1HB ARG 42 2.496 -5.115 6.093 329 2HB ARG 42 2HB ARG 42 1.156 -6.060 6.722 330 1HG ARG 42 1HG ARG 42 0.679 -6.593 4.212 331 2HG ARG 42 2HG ARG 42 2.342 -6.073 3.964 332 1HD ARG 42 1HD ARG 42 2.368 -8.487 4.348 333 2HD ARG 42 2HD ARG 42 2.997 -7.720 5.821 334 HE ARG 42 HE ARG 42 0.077 -8.190 5.666 335 1HH1 ARG 42 1HH2 ARG 42 2.054 -7.730 8.072 336 2HH1 ARG 42 2HH2 ARG 42 1.945 -9.284 8.830 337 1HH2 ARG 42 1HH1 ARG 42 0.408 -10.793 6.111 338 2HH2 ARG 42 2HH1 ARG 42 1.015 -11.020 7.718 339 H ASN 43 H ASN 43 -0.088 -5.053 3.106 340 HA ASN 43 HA ASN 43 1.809 -3.131 1.863 341 1HB ASN 43 1HB ASN 43 1.276 -5.681 1.291 342 2HB ASN 43 2HB ASN 43 -0.002 -4.955 0.316 343 1HD2 ASN 43 1HD2 ASN 43 3.494 -4.252 0.986 344 2HD2 ASN 43 2HD2 ASN 43 3.896 -3.958 -0.637 345 H ASN 44 H ASN 44 -0.085 -1.688 3.086 346 HA ASN 44 HA ASN 44 -1.490 -0.322 0.903 347 1HB ASN 44 1HB ASN 44 -3.088 -2.094 1.298 348 2HB ASN 44 2HB ASN 44 -2.923 -1.935 3.046 349 1HD2 ASN 44 1HD2 ASN 44 -5.501 -1.747 2.210 350 2HD2 ASN 44 2HD2 ASN 44 -6.050 -0.129 2.183 351 H PHE 45 H PHE 45 0.090 1.236 1.928 352 HA PHE 45 HA PHE 45 -0.465 2.103 4.678 353 1HB PHE 45 1HB PHE 45 1.354 3.266 2.544 354 2HB PHE 45 2HB PHE 45 1.497 3.471 4.293 355 HD1 PHE 45 1HD PHE 45 2.377 1.428 1.461 356 HD2 PHE 45 2HD PHE 45 1.817 1.333 5.718 357 HE1 PHE 45 1HE PHE 45 3.678 -0.682 1.584 358 HE2 PHE 45 2HE PHE 45 3.122 -0.773 5.844 359 HZ PHE 45 HZ PHE 45 4.052 -1.791 3.777 360 H LYS 46 H LYS 46 -1.343 4.159 5.221 361 HA LYS 46 HA LYS 46 -3.114 5.300 3.129 362 1HB LYS 46 1HB LYS 46 -2.973 5.894 6.095 363 2HB LYS 46 2HB LYS 46 -4.345 6.141 5.013 364 1HG LYS 46 1HG LYS 46 -4.617 3.754 4.723 365 2HG LYS 46 2HG LYS 46 -3.123 3.430 5.599 366 1HD LYS 46 1HD LYS 46 -4.067 4.166 7.666 367 2HD LYS 46 2HD LYS 46 -5.460 4.883 6.857 368 1HE LYS 46 1HE LYS 46 -5.372 2.141 6.078 369 2HE LYS 46 2HE LYS 46 -5.165 2.196 7.841 370 1HZ LYS 46 1HZ LYS 46 -7.144 3.936 6.512 371 2HZ LYS 46 2HZ LYS 46 -7.130 3.361 8.111 372 3HZ LYS 46 3HZ LYS 46 -7.541 2.319 6.833 373 H SER 47 H SER 47 -0.029 5.875 3.998 374 HA SER 47 HA SER 47 -0.336 8.817 3.515 375 1HB SER 47 1HB SER 47 1.186 9.285 5.284 376 2HB SER 47 2HB SER 47 0.067 8.092 5.937 377 HG SER 47 HG SER 47 2.460 7.751 6.168 378 H ALA 48 H ALA 48 1.607 9.814 2.653 379 HA ALA 48 HA ALA 48 2.962 8.169 0.635 380 1HB ALA 48 1HB ALA 48 3.771 10.370 -0.056 381 2HB ALA 48 2HB ALA 48 3.218 11.049 1.474 382 3HB ALA 48 3HB ALA 48 2.044 10.450 0.301 383 H GLU 49 H GLU 49 3.591 7.863 3.567 384 HA GLU 49 HA GLU 49 6.525 7.817 3.319 385 1HB GLU 49 1HB GLU 49 5.361 10.118 4.171 386 2HB GLU 49 2HB GLU 49 5.562 9.278 5.709 387 1HG GLU 49 1HG GLU 49 7.875 9.284 5.558 388 2HG GLU 49 2HG GLU 49 7.864 9.294 3.795 389 H ASP 50 H ASP 50 3.606 6.850 4.952 390 HA ASP 50 HA ASP 50 4.830 5.546 7.234 391 1HB ASP 50 1HB ASP 50 2.490 6.109 7.298 392 2HB ASP 50 2HB ASP 50 2.192 5.307 5.755 393 H CYS 51 H CYS 51 4.306 4.818 3.887 394 HA CYS 51 HA CYS 51 4.651 1.944 3.998 395 1HB CYS 51 1HB CYS 51 3.560 3.001 2.120 396 2HB CYS 51 2HB CYS 51 4.923 4.090 1.871 397 H MET 52 H MET 52 6.776 4.722 3.317 398 HA MET 52 HA MET 52 9.169 3.177 2.840 399 1HB MET 52 1HB MET 52 8.567 6.034 3.643 400 2HB MET 52 2HB MET 52 10.207 5.472 3.321 401 1HG MET 52 1HG MET 52 9.033 4.526 1.110 402 2HG MET 52 2HG MET 52 7.922 5.855 1.437 403 1HE MET 52 1HE MET 52 10.928 5.541 -1.039 404 2HE MET 52 2HE MET 52 9.967 6.962 -1.447 405 3HE MET 52 3HE MET 52 9.162 5.482 -0.932 406 H ARG 53 H ARG 53 8.043 5.010 5.710 407 HA ARG 53 HA ARG 53 10.148 4.419 7.482 408 1HB ARG 53 1HB ARG 53 7.365 5.291 7.546 409 2HB ARG 53 2HB ARG 53 7.777 4.339 8.973 410 1HG ARG 53 1HG ARG 53 9.204 5.929 9.770 411 2HG ARG 53 2HG ARG 53 9.818 6.320 8.165 412 1HD ARG 53 1HD ARG 53 8.622 8.269 8.586 413 2HD ARG 53 2HD ARG 53 7.305 7.289 7.910 414 HE ARG 53 HE ARG 53 6.404 7.132 10.102 415 1HH1 ARG 53 1HH1 ARG 53 8.292 9.638 10.464 416 2HH1 ARG 53 2HH1 ARG 53 8.955 9.262 12.020 417 1HH2 ARG 53 1HH2 ARG 53 7.859 5.971 11.983 418 2HH2 ARG 53 2HH2 ARG 53 8.708 7.185 12.881 419 H THR 54 H THR 54 7.738 2.299 6.166 420 HA THR 54 HA THR 54 8.314 0.210 8.223 421 HB THR 54 HB THR 54 6.161 0.684 6.149 422 HG1 THR 54 1HG THR 54 6.129 0.267 8.955 423 1HG2 THR 54 1HG2 THR 54 6.628 -1.670 6.003 424 2HG2 THR 54 2HG2 THR 54 5.175 -1.480 6.987 425 3HG2 THR 54 3HG2 THR 54 6.726 -1.813 7.758 426 H CYS 55 H CYS 55 8.218 0.724 4.693 427 HA CYS 55 HA CYS 55 9.437 -1.895 4.159 428 1HB CYS 55 1HB CYS 55 8.861 0.482 2.362 429 2HB CYS 55 2HB CYS 55 9.147 -1.180 1.839 430 H GLY 56 H GLY 56 10.408 1.462 3.300 431 1HA GLY 56 1HA GLY 56 13.208 0.758 3.993 432 2HA GLY 56 2HA GLY 56 12.880 1.287 2.343 433 H GLY 57 H GLY 57 13.242 3.418 2.038 434 1HA GLY 57 1HA GLY 57 12.131 5.550 3.456 435 2HA GLY 57 2HA GLY 57 13.675 5.231 4.249 436 H ALA 58 H ALA 58 12.331 7.168 1.995 437 HA ALA 58 HA ALA 58 14.930 7.817 0.788 438 1HB ALA 58 1HB ALA 58 14.602 6.755 -1.189 439 2HB ALA 58 2HB ALA 58 12.962 7.388 -1.323 440 3HB ALA 58 3HB ALA 58 13.265 5.908 -0.412 Start of MODEL 8 1 1H ARG 1 1H ARG 1 15.066 -4.976 4.724 2 2H ARG 1 2H ARG 1 14.192 -5.398 6.119 3 3H ARG 1 3H ARG 1 14.830 -3.832 5.954 4 HA ARG 1 HA ARG 1 12.782 -3.276 5.249 5 1HB ARG 1 1HB ARG 1 13.838 -2.892 3.226 6 2HB ARG 1 2HB ARG 1 14.333 -4.574 3.046 7 1HG ARG 1 1HG ARG 1 12.380 -5.171 2.001 8 2HG ARG 1 2HG ARG 1 11.406 -4.054 2.956 9 1HD ARG 1 1HD ARG 1 11.365 -3.028 0.837 10 2HD ARG 1 2HD ARG 1 12.756 -2.218 1.583 11 HE ARG 1 HE ARG 1 12.936 -4.537 -0.307 12 1HH1 ARG 1 1HH1 ARG 1 13.861 -1.384 0.090 13 2HH1 ARG 1 2HH1 ARG 1 15.555 -1.640 -0.161 14 1HH2 ARG 1 1HH2 ARG 1 15.317 -5.097 -0.058 15 2HH2 ARG 1 2HH2 ARG 1 16.381 -3.742 -0.242 16 HA PRO 2 HA PRO 2 9.860 -6.487 5.962 17 1HB PRO 2 1HB PRO 2 7.651 -5.232 4.933 18 2HB PRO 2 2HB PRO 2 8.341 -4.846 6.518 19 1HG PRO 2 1HG PRO 2 8.683 -3.466 3.885 20 2HG PRO 2 2HG PRO 2 8.439 -2.763 5.493 21 1HD PRO 2 1HD PRO 2 10.872 -2.888 4.303 22 2HD PRO 2 2HD PRO 2 10.666 -3.020 6.067 23 H ASP 3 H ASP 3 8.488 -7.969 4.775 24 HA ASP 3 HA ASP 3 9.306 -8.256 1.942 25 1HB ASP 3 1HB ASP 3 8.314 -9.928 4.174 26 2HB ASP 3 2HB ASP 3 7.699 -10.386 2.584 27 H PHE 4 H PHE 4 6.495 -7.478 3.931 28 HA PHE 4 HA PHE 4 4.514 -7.886 1.867 29 1HB PHE 4 1HB PHE 4 3.059 -6.646 3.383 30 2HB PHE 4 2HB PHE 4 4.055 -7.766 4.303 31 HD1 PHE 4 1HD PHE 4 5.732 -6.997 5.845 32 HD2 PHE 4 2HD PHE 4 3.552 -4.188 3.421 33 HE1 PHE 4 1HE PHE 4 6.552 -5.130 7.257 34 HE2 PHE 4 2HE PHE 4 4.378 -2.340 4.835 35 HZ PHE 4 HZ PHE 4 5.869 -2.801 6.744 36 H CYS 5 H CYS 5 6.718 -5.257 2.571 37 HA CYS 5 HA CYS 5 5.327 -3.225 1.052 38 1HB CYS 5 1HB CYS 5 8.128 -3.683 2.079 39 2HB CYS 5 2HB CYS 5 7.761 -2.279 1.075 40 H LEU 6 H LEU 6 7.595 -5.799 0.276 41 HA LEU 6 HA LEU 6 8.202 -4.857 -2.417 42 1HB LEU 6 1HB LEU 6 8.413 -7.642 -1.234 43 2HB LEU 6 2HB LEU 6 9.360 -6.974 -2.564 44 HG LEU 6 HG LEU 6 9.445 -6.169 0.353 45 1HD1 LEU 6 1HD1 LEU 6 11.254 -7.508 0.409 46 2HD1 LEU 6 2HD1 LEU 6 11.983 -6.605 -0.919 47 3HD1 LEU 6 3HD1 LEU 6 10.935 -7.981 -1.260 48 1HD2 LEU 6 1HD2 LEU 6 11.059 -4.434 -0.348 49 2HD2 LEU 6 2HD2 LEU 6 9.480 -4.157 -1.083 50 3HD2 LEU 6 3HD2 LEU 6 10.785 -4.861 -2.037 51 H GLU 7 H GLU 7 5.670 -6.717 -0.915 52 HA GLU 7 HA GLU 7 4.736 -8.053 -3.328 53 1HB GLU 7 1HB GLU 7 4.123 -7.847 -0.490 54 2HB GLU 7 2HB GLU 7 2.650 -7.825 -1.459 55 1HG GLU 7 1HG GLU 7 3.397 -9.877 -2.623 56 2HG GLU 7 2HG GLU 7 4.860 -9.899 -1.638 57 HA PRO 8 HA PRO 8 2.346 -4.804 -5.062 58 1HB PRO 8 1HB PRO 8 0.156 -6.170 -5.993 59 2HB PRO 8 2HB PRO 8 1.753 -6.254 -6.764 60 1HG PRO 8 1HG PRO 8 0.429 -8.170 -4.897 61 2HG PRO 8 2HG PRO 8 1.411 -8.496 -6.334 62 1HD PRO 8 1HD PRO 8 2.354 -8.684 -3.775 63 2HD PRO 8 2HD PRO 8 3.382 -8.292 -5.172 64 HA PRO 9 HA PRO 9 -0.722 -3.500 -2.213 65 1HB PRO 9 1HB PRO 9 -2.556 -2.232 -3.811 66 2HB PRO 9 2HB PRO 9 -0.966 -1.550 -3.414 67 1HG PRO 9 1HG PRO 9 -1.889 -2.945 -5.881 68 2HG PRO 9 2HG PRO 9 -0.797 -1.562 -5.706 69 1HD PRO 9 1HD PRO 9 0.035 -4.133 -6.173 70 2HD PRO 9 2HD PRO 9 1.027 -2.900 -5.362 71 H TYR 10 H TYR 10 -3.213 -3.612 -1.783 72 HA TYR 10 HA TYR 10 -4.412 -6.054 -3.063 73 1HB TYR 10 1HB TYR 10 -3.189 -6.414 -0.844 74 2HB TYR 10 2HB TYR 10 -4.431 -5.407 -0.103 75 HD1 TYR 10 1HD TYR 10 -6.355 -6.435 0.713 76 HD2 TYR 10 2HD TYR 10 -4.114 -8.352 -2.411 77 HE1 TYR 10 1HE TYR 10 -7.886 -8.384 0.809 78 HE2 TYR 10 2HE TYR 10 -5.644 -10.301 -2.312 79 HH TYR 10 HH TYR 10 -8.140 -10.640 -1.550 80 H THR 11 H THR 11 -5.917 -4.768 -4.207 81 HA THR 11 HA THR 11 -7.510 -2.675 -3.071 82 HB THR 11 HB THR 11 -7.656 -4.560 -5.419 83 HG1 THR 11 1HG THR 11 -7.824 -1.749 -5.370 84 1HG2 THR 11 1HG2 THR 11 -9.805 -2.561 -4.660 85 2HG2 THR 11 2HG2 THR 11 -9.988 -4.316 -4.638 86 3HG2 THR 11 3HG2 THR 11 -9.733 -3.475 -6.167 87 H GLY 12 H GLY 12 -7.578 -6.139 -2.875 88 1HA GLY 12 1HA GLY 12 -9.032 -7.623 -1.770 89 2HA GLY 12 2HA GLY 12 -9.353 -6.271 -0.685 90 HA PRO 13 HA PRO 13 -13.255 -7.237 -2.932 91 1HB PRO 13 1HB PRO 13 -14.818 -7.308 -0.680 92 2HB PRO 13 2HB PRO 13 -13.938 -8.719 -1.295 93 1HG PRO 13 1HG PRO 13 -13.280 -6.885 0.953 94 2HG PRO 13 2HG PRO 13 -13.036 -8.633 0.813 95 1HD PRO 13 1HD PRO 13 -11.065 -6.733 0.474 96 2HD PRO 13 2HD PRO 13 -11.011 -8.374 -0.206 97 H CYS 14 H CYS 14 -15.543 -5.993 -1.710 98 HA CYS 14 HA CYS 14 -16.584 -3.887 -1.498 99 1HB CYS 14 1HB CYS 14 -13.789 -2.949 -0.785 100 2HB CYS 14 2HB CYS 14 -15.322 -2.247 -0.266 101 H LYS 15 H LYS 15 -16.964 -2.085 -2.854 102 HA LYS 15 HA LYS 15 -15.299 -1.994 -5.320 103 1HB LYS 15 1HB LYS 15 -18.068 -1.845 -4.634 104 2HB LYS 15 2HB LYS 15 -17.620 -0.303 -5.363 105 1HG LYS 15 1HG LYS 15 -16.399 -1.848 -7.126 106 2HG LYS 15 2HG LYS 15 -17.543 -3.060 -6.547 107 1HD LYS 15 1HD LYS 15 -18.326 -0.300 -7.532 108 2HD LYS 15 2HD LYS 15 -18.391 -1.762 -8.519 109 1HE LYS 15 1HE LYS 15 -19.724 -2.031 -5.896 110 2HE LYS 15 2HE LYS 15 -20.481 -0.850 -6.984 111 1HZ LYS 15 1HZ LYS 15 -20.903 -3.472 -7.169 112 2HZ LYS 15 2HZ LYS 15 -19.544 -3.342 -8.180 113 3HZ LYS 15 3HZ LYS 15 -20.946 -2.441 -8.515 114 H ALA 16 H ALA 16 -15.033 -0.555 -2.452 115 HA ALA 16 HA ALA 16 -15.204 2.229 -2.739 116 1HB ALA 16 1HB ALA 16 -13.520 0.279 -1.236 117 2HB ALA 16 2HB ALA 16 -14.591 1.538 -0.624 118 3HB ALA 16 3HB ALA 16 -12.992 1.961 -1.234 119 H ARG 17 H ARG 17 -13.361 3.781 -3.112 120 HA ARG 17 HA ARG 17 -11.237 2.792 -4.942 121 1HB ARG 17 1HB ARG 17 -13.062 3.333 -6.427 122 2HB ARG 17 2HB ARG 17 -13.381 4.844 -5.574 123 1HG ARG 17 1HG ARG 17 -11.856 5.929 -6.831 124 2HG ARG 17 2HG ARG 17 -10.617 4.738 -6.429 125 1HD ARG 17 1HD ARG 17 -10.766 3.896 -8.530 126 2HD ARG 17 2HD ARG 17 -12.484 3.538 -8.264 127 HE ARG 17 HE ARG 17 -13.025 5.714 -9.185 128 1HH1 ARG 17 1HH2 ARG 17 -10.010 6.340 -8.073 129 2HH1 ARG 17 2HH2 ARG 17 -9.389 7.057 -9.522 130 1HH2 ARG 17 1HH1 ARG 17 -12.083 6.084 -11.475 131 2HH2 ARG 17 2HH1 ARG 17 -10.560 6.910 -11.448 132 H ILE 18 H ILE 18 -10.354 3.450 -2.638 133 HA ILE 18 HA ILE 18 -9.912 6.385 -2.411 134 HB ILE 18 HB ILE 18 -9.364 3.987 -0.636 135 1HG1 ILE 18 1HG1 ILE 18 -11.321 6.301 -0.498 136 2HG1 ILE 18 2HG1 ILE 18 -11.715 4.603 -0.771 137 1HG2 ILE 18 1HG2 ILE 18 -7.624 5.663 -0.261 138 2HG2 ILE 18 2HG2 ILE 18 -8.755 5.677 1.092 139 3HG2 ILE 18 3HG2 ILE 18 -8.841 6.934 -0.142 140 1HD1 ILE 18 1HD1 ILE 18 -11.378 5.983 1.727 141 2HD1 ILE 18 2HD1 ILE 18 -10.142 4.732 1.598 142 3HD1 ILE 18 3HD1 ILE 18 -11.848 4.305 1.457 143 H ILE 19 H ILE 19 -7.743 7.235 -2.337 144 HA ILE 19 HA ILE 19 -5.809 5.695 -3.954 145 HB ILE 19 HB ILE 19 -5.807 8.502 -2.799 146 1HG1 ILE 19 1HG1 ILE 19 -7.623 7.988 -4.449 147 2HG1 ILE 19 2HG1 ILE 19 -6.475 9.192 -5.040 148 1HG2 ILE 19 1HG2 ILE 19 -3.670 7.016 -3.827 149 2HG2 ILE 19 2HG2 ILE 19 -3.732 8.770 -3.646 150 3HG2 ILE 19 3HG2 ILE 19 -4.195 8.025 -5.176 151 1HD1 ILE 19 1HD1 ILE 19 -5.261 7.401 -6.260 152 2HD1 ILE 19 2HD1 ILE 19 -6.938 7.531 -6.790 153 3HD1 ILE 19 3HD1 ILE 19 -6.456 6.229 -5.702 154 H ARG 20 H ARG 20 -5.273 4.076 -2.279 155 HA ARG 20 HA ARG 20 -4.000 5.000 0.211 156 1HB ARG 20 1HB ARG 20 -4.762 2.416 -1.106 157 2HB ARG 20 2HB ARG 20 -3.575 2.375 0.199 158 1HG ARG 20 1HG ARG 20 -6.283 3.724 0.417 159 2HG ARG 20 2HG ARG 20 -5.955 2.083 0.976 160 1HD ARG 20 1HD ARG 20 -4.833 2.828 2.828 161 2HD ARG 20 2HD ARG 20 -4.021 4.121 1.922 162 HE ARG 20 HE ARG 20 -6.142 5.418 2.087 163 1HH1 ARG 20 1HH2 ARG 20 -5.121 3.582 4.663 164 2HH1 ARG 20 2HH2 ARG 20 -6.630 3.589 5.515 165 1HH2 ARG 20 1HH1 ARG 20 -8.404 4.997 2.888 166 2HH2 ARG 20 2HH1 ARG 20 -8.491 4.393 4.508 167 H TYR 21 H TYR 21 -1.740 4.101 0.709 168 HA TYR 21 HA TYR 21 -0.012 4.413 -1.714 169 1HB TYR 21 1HB TYR 21 0.227 5.061 1.214 170 2HB TYR 21 2HB TYR 21 1.683 4.886 0.234 171 HD1 TYR 21 1HD TYR 21 2.190 6.450 -1.570 172 HD2 TYR 21 2HD TYR 21 -1.365 6.864 0.805 173 HE1 TYR 21 1HE TYR 21 1.870 8.746 -2.452 174 HE2 TYR 21 2HE TYR 21 -1.687 9.162 -0.075 175 HH TYR 21 HH TYR 21 0.121 11.000 -1.114 176 H PHE 22 H PHE 22 1.723 2.960 -2.022 177 HA PHE 22 HA PHE 22 2.113 0.724 -0.132 178 1HB PHE 22 1HB PHE 22 1.325 -0.954 -1.560 179 2HB PHE 22 2HB PHE 22 0.173 0.335 -1.858 180 HD1 PHE 22 1HD PHE 22 3.045 -1.525 -3.204 181 HD2 PHE 22 2HD PHE 22 0.193 1.601 -3.957 182 HE1 PHE 22 1HE PHE 22 3.665 -1.538 -5.605 183 HE2 PHE 22 2HE PHE 22 0.817 1.589 -6.358 184 HZ PHE 22 HZ PHE 22 2.554 0.019 -7.183 185 H TYR 23 H TYR 23 4.042 -0.544 -0.748 186 HA TYR 23 HA TYR 23 6.075 1.189 -2.033 187 1HB TYR 23 1HB TYR 23 6.418 0.059 0.153 188 2HB TYR 23 2HB TYR 23 6.269 -1.506 -0.645 189 HD1 TYR 23 1HD TYR 23 8.194 -2.540 -1.492 190 HD2 TYR 23 2HD TYR 23 8.182 1.711 -0.881 191 HE1 TYR 23 1HE TYR 23 10.589 -2.443 -2.124 192 HE2 TYR 23 2HE TYR 23 10.578 1.808 -1.514 193 HH TYR 23 HH TYR 23 12.151 0.303 -2.987 194 H ASN 24 H ASN 24 6.730 0.870 -4.130 195 HA ASN 24 HA ASN 24 5.848 -1.603 -5.554 196 1HB ASN 24 1HB ASN 24 5.194 0.554 -6.487 197 2HB ASN 24 2HB ASN 24 6.863 1.110 -6.457 198 1HD2 ASN 24 1HD2 ASN 24 5.822 1.246 -8.935 199 2HD2 ASN 24 2HD2 ASN 24 6.308 -0.050 -9.916 200 H ALA 25 H ALA 25 7.608 -2.972 -4.697 201 HA ALA 25 HA ALA 25 10.339 -2.470 -4.628 202 1HB ALA 25 1HB ALA 25 8.693 -4.633 -4.384 203 2HB ALA 25 2HB ALA 25 10.453 -4.750 -4.410 204 3HB ALA 25 3HB ALA 25 9.528 -5.031 -5.885 205 H LYS 26 H LYS 26 8.288 -2.756 -7.443 206 HA LYS 26 HA LYS 26 10.424 -3.164 -9.376 207 1HB LYS 26 1HB LYS 26 7.763 -3.506 -9.376 208 2HB LYS 26 2HB LYS 26 7.813 -1.884 -10.068 209 1HG LYS 26 1HG LYS 26 7.894 -3.480 -11.891 210 2HG LYS 26 2HG LYS 26 9.490 -2.740 -11.745 211 1HD LYS 26 1HD LYS 26 10.390 -4.784 -11.459 212 2HD LYS 26 2HD LYS 26 9.425 -4.992 -9.997 213 1HE LYS 26 1HE LYS 26 8.153 -6.540 -11.058 214 2HE LYS 26 2HE LYS 26 7.732 -5.352 -12.308 215 1HZ LYS 26 1HZ LYS 26 8.973 -7.245 -13.227 216 2HZ LYS 26 2HZ LYS 26 10.266 -6.915 -12.175 217 3HZ LYS 26 3HZ LYS 26 9.847 -5.801 -13.387 218 H ALA 27 H ALA 27 8.933 -0.395 -7.809 219 HA ALA 27 HA ALA 27 10.253 1.496 -9.697 220 1HB ALA 27 1HB ALA 27 7.945 1.426 -7.939 221 2HB ALA 27 2HB ALA 27 8.309 2.557 -9.241 222 3HB ALA 27 3HB ALA 27 8.929 2.853 -7.616 223 H GLY 28 H GLY 28 10.325 0.497 -6.282 224 1HA GLY 28 1HA GLY 28 12.486 0.499 -5.100 225 2HA GLY 28 2HA GLY 28 12.941 1.920 -6.041 226 H LEU 29 H LEU 29 9.897 2.669 -5.440 227 HA LEU 29 HA LEU 29 10.374 3.674 -2.662 228 1HB LEU 29 1HB LEU 29 9.196 5.258 -4.962 229 2HB LEU 29 2HB LEU 29 9.682 5.872 -3.382 230 HG LEU 29 HG LEU 29 11.991 4.657 -4.259 231 1HD1 LEU 29 1HD1 LEU 29 11.847 4.352 -6.490 232 2HD1 LEU 29 2HD1 LEU 29 11.817 6.108 -6.645 233 3HD1 LEU 29 3HD1 LEU 29 10.304 5.204 -6.568 234 1HD2 LEU 29 1HD2 LEU 29 12.127 7.316 -5.179 235 2HD2 LEU 29 2HD2 LEU 29 12.583 6.727 -3.581 236 3HD2 LEU 29 3HD2 LEU 29 10.953 7.337 -3.863 237 H CYS 30 H CYS 30 7.831 5.244 -3.044 238 HA CYS 30 HA CYS 30 5.918 2.949 -2.772 239 1HB CYS 30 1HB CYS 30 6.143 5.650 -1.425 240 2HB CYS 30 2HB CYS 30 4.696 4.653 -1.298 241 H GLN 31 H GLN 31 3.745 3.316 -3.533 242 HA GLN 31 HA GLN 31 3.299 5.672 -5.298 243 1HB GLN 31 1HB GLN 31 2.951 2.777 -6.144 244 2HB GLN 31 2HB GLN 31 2.714 4.202 -7.157 245 1HG GLN 31 1HG GLN 31 5.223 4.698 -6.372 246 2HG GLN 31 2HG GLN 31 5.251 2.942 -6.207 247 1HE2 GLN 31 1HE2 GLN 31 6.910 3.578 -8.129 248 2HE2 GLN 31 2HE2 GLN 31 6.247 3.466 -9.686 249 H THR 32 H THR 32 0.917 5.699 -5.995 250 HA THR 32 HA THR 32 -0.750 4.821 -3.699 251 HB THR 32 HB THR 32 -2.393 6.361 -5.046 252 HG1 THR 32 1HG THR 32 -1.073 7.873 -6.286 253 1HG2 THR 32 1HG2 THR 32 -1.147 8.393 -4.134 254 2HG2 THR 32 2HG2 THR 32 0.131 7.275 -3.656 255 3HG2 THR 32 3HG2 THR 32 -1.486 7.112 -2.969 256 H PHE 33 H PHE 33 -2.544 3.463 -3.952 257 HA PHE 33 HA PHE 33 -3.103 2.379 -6.684 258 1HB PHE 33 1HB PHE 33 -2.833 0.140 -5.911 259 2HB PHE 33 2HB PHE 33 -1.441 1.014 -5.279 260 HD1 PHE 33 1HD PHE 33 -4.490 -0.795 -4.457 261 HD2 PHE 33 2HD PHE 33 -1.413 1.753 -2.872 262 HE1 PHE 33 1HE PHE 33 -5.135 -1.443 -2.152 263 HE2 PHE 33 2HE PHE 33 -2.063 1.113 -0.576 264 HZ PHE 33 HZ PHE 33 -3.922 -0.490 -0.210 265 H VAL 34 H VAL 34 -5.206 1.144 -6.691 266 HA VAL 34 HA VAL 34 -7.270 2.642 -5.287 267 HB VAL 34 HB VAL 34 -7.420 0.099 -6.937 268 1HG1 VAL 34 1HG1 VAL 34 -9.406 1.215 -5.482 269 2HG1 VAL 34 2HG1 VAL 34 -9.689 0.419 -7.030 270 3HG1 VAL 34 3HG1 VAL 34 -9.548 2.175 -6.955 271 1HG2 VAL 34 1HG2 VAL 34 -6.222 1.873 -8.148 272 2HG2 VAL 34 2HG2 VAL 34 -7.513 3.015 -7.776 273 3HG2 VAL 34 3HG2 VAL 34 -7.828 1.644 -8.840 274 H TYR 35 H TYR 35 -7.673 2.231 -3.144 275 HA TYR 35 HA TYR 35 -7.214 -0.484 -2.032 276 1HB TYR 35 1HB TYR 35 -6.352 1.482 -0.868 277 2HB TYR 35 2HB TYR 35 -7.956 2.213 -0.847 278 HD1 TYR 35 1HD TYR 35 -7.224 -1.384 -0.288 279 HD2 TYR 35 2HD TYR 35 -8.275 2.366 1.529 280 HE1 TYR 35 1HE TYR 35 -7.720 -2.554 1.841 281 HE2 TYR 35 2HE TYR 35 -8.772 1.193 3.657 282 HH TYR 35 HH TYR 35 -8.206 -0.877 4.791 283 H GLY 36 H GLY 36 -8.936 -1.713 -1.086 284 1HA GLY 36 1HA GLY 36 -11.618 -1.067 -2.140 285 2HA GLY 36 2HA GLY 36 -11.140 -2.590 -1.393 286 H ALA 37 H ALA 37 -9.947 -0.293 0.632 287 HA ALA 37 HA ALA 37 -10.742 0.723 2.627 288 1HB ALA 37 1HB ALA 37 -12.732 1.737 2.294 289 2HB ALA 37 2HB ALA 37 -13.572 0.187 2.237 290 3HB ALA 37 3HB ALA 37 -12.845 0.850 0.774 291 H CYS 38 H CYS 38 -10.809 -2.434 1.863 292 HA CYS 38 HA CYS 38 -11.488 -3.231 4.634 293 1HB CYS 38 1HB CYS 38 -13.084 -4.948 3.776 294 2HB CYS 38 2HB CYS 38 -13.620 -3.305 3.422 295 H ARG 39 H ARG 39 -11.072 -5.718 4.824 296 HA ARG 39 HA ARG 39 -9.326 -7.333 4.785 297 1HB ARG 39 1HB ARG 39 -10.938 -7.310 2.558 298 2HB ARG 39 2HB ARG 39 -9.331 -7.244 1.834 299 1HG ARG 39 1HG ARG 39 -8.865 -9.381 2.432 300 2HG ARG 39 2HG ARG 39 -9.524 -9.157 4.053 301 1HD ARG 39 1HD ARG 39 -11.842 -9.317 3.031 302 2HD ARG 39 2HD ARG 39 -11.061 -9.789 1.509 303 HE ARG 39 HE ARG 39 -10.311 -11.281 3.969 304 1HH1 ARG 39 1HH2 ARG 39 -13.132 -11.904 3.053 305 2HH1 ARG 39 2HH2 ARG 39 -12.862 -13.252 1.999 306 1HH2 ARG 39 1HH1 ARG 39 -9.454 -12.678 1.705 307 2HH2 ARG 39 2HH1 ARG 39 -10.779 -13.690 1.236 308 H ALA 40 H ALA 40 -8.393 -4.500 4.730 309 HA ALA 40 HA ALA 40 -6.298 -4.114 2.819 310 1HB ALA 40 1HB ALA 40 -5.623 -2.833 5.238 311 2HB ALA 40 2HB ALA 40 -7.385 -2.914 5.221 312 3HB ALA 40 3HB ALA 40 -6.524 -2.138 3.891 313 H LYS 41 H LYS 41 -3.977 -4.292 3.185 314 HA LYS 41 HA LYS 41 -3.207 -6.356 5.227 315 1HB LYS 41 1HB LYS 41 -2.241 -5.984 2.370 316 2HB LYS 41 2HB LYS 41 -1.667 -7.223 3.487 317 1HG LYS 41 1HG LYS 41 -3.943 -8.156 3.628 318 2HG LYS 41 2HG LYS 41 -4.532 -6.901 2.537 319 1HD LYS 41 1HD LYS 41 -3.359 -7.786 0.697 320 2HD LYS 41 2HD LYS 41 -2.252 -8.697 1.725 321 1HE LYS 41 1HE LYS 41 -4.058 -10.230 2.365 322 2HE LYS 41 2HE LYS 41 -5.226 -9.274 1.432 323 1HZ LYS 41 1HZ LYS 41 -4.578 -10.814 -0.130 324 2HZ LYS 41 2HZ LYS 41 -3.006 -10.966 0.497 325 3HZ LYS 41 3HZ LYS 41 -3.428 -9.603 -0.426 326 H ARG 42 H ARG 42 -0.419 -6.217 4.625 327 HA ARG 42 HA ARG 42 0.291 -3.758 6.037 328 1HB ARG 42 1HB ARG 42 2.235 -5.624 4.692 329 2HB ARG 42 2HB ARG 42 2.398 -4.780 6.229 330 1HG ARG 42 1HG ARG 42 0.272 -6.277 6.847 331 2HG ARG 42 2HG ARG 42 0.958 -7.321 5.602 332 1HD ARG 42 1HD ARG 42 3.177 -6.582 7.121 333 2HD ARG 42 2HD ARG 42 1.900 -6.836 8.329 334 HE ARG 42 HE ARG 42 2.748 -8.854 6.282 335 1HH1 ARG 42 1HH2 ARG 42 -0.107 -8.801 7.551 336 2HH1 ARG 42 2HH2 ARG 42 0.086 -10.028 8.758 337 1HH2 ARG 42 1HH1 ARG 42 3.547 -10.072 8.538 338 2HH2 ARG 42 2HH1 ARG 42 2.156 -10.748 9.318 339 H ASN 43 H ASN 43 0.035 -4.741 2.728 340 HA ASN 43 HA ASN 43 1.811 -2.575 1.750 341 1HB ASN 43 1HB ASN 43 1.437 -5.056 0.881 342 2HB ASN 43 2HB ASN 43 0.084 -4.318 0.022 343 1HD2 ASN 43 1HD2 ASN 43 3.617 -3.834 0.573 344 2HD2 ASN 43 2HD2 ASN 43 3.917 -3.180 -0.964 345 H ASN 44 H ASN 44 0.036 -1.157 2.989 346 HA ASN 44 HA ASN 44 -1.569 0.154 0.936 347 1HB ASN 44 1HB ASN 44 -2.977 -1.781 1.351 348 2HB ASN 44 2HB ASN 44 -2.834 -1.568 3.095 349 1HD2 ASN 44 1HD2 ASN 44 -5.402 -1.635 2.257 350 2HD2 ASN 44 2HD2 ASN 44 -6.095 -0.075 2.201 351 H PHE 45 H PHE 45 -0.103 1.820 1.924 352 HA PHE 45 HA PHE 45 -0.708 2.629 4.706 353 1HB PHE 45 1HB PHE 45 1.129 3.924 2.672 354 2HB PHE 45 2HB PHE 45 1.243 4.002 4.432 355 HD1 PHE 45 1HD PHE 45 2.103 2.129 1.448 356 HD2 PHE 45 2HD PHE 45 1.763 1.870 5.724 357 HE1 PHE 45 1HE PHE 45 3.497 0.075 1.435 358 HE2 PHE 45 2HE PHE 45 3.157 -0.182 5.711 359 HZ PHE 45 HZ PHE 45 4.019 -1.090 3.566 360 H LYS 46 H LYS 46 -1.415 4.849 5.173 361 HA LYS 46 HA LYS 46 -3.438 5.797 3.256 362 1HB LYS 46 1HB LYS 46 -3.937 5.633 5.632 363 2HB LYS 46 2HB LYS 46 -2.554 6.654 6.029 364 1HG LYS 46 1HG LYS 46 -3.586 8.538 4.837 365 2HG LYS 46 2HG LYS 46 -4.949 7.517 4.377 366 1HD LYS 46 1HD LYS 46 -5.155 7.102 6.961 367 2HD LYS 46 2HD LYS 46 -4.208 8.585 7.090 368 1HE LYS 46 1HE LYS 46 -6.433 9.388 7.092 369 2HE LYS 46 2HE LYS 46 -5.984 9.528 5.380 370 1HZ LYS 46 1HZ LYS 46 -6.954 6.929 6.281 371 2HZ LYS 46 2HZ LYS 46 -7.248 7.749 4.820 372 3HZ LYS 46 3HZ LYS 46 -8.113 8.166 6.221 373 H SER 47 H SER 47 -0.168 6.543 4.025 374 HA SER 47 HA SER 47 -0.317 8.952 2.272 375 1HB SER 47 1HB SER 47 0.921 10.252 3.932 376 2HB SER 47 2HB SER 47 -0.542 9.612 4.672 377 HG SER 47 HG SER 47 1.314 9.277 5.975 378 H ALA 48 H ALA 48 1.809 9.529 1.400 379 HA ALA 48 HA ALA 48 3.429 7.263 0.687 380 1HB ALA 48 1HB ALA 48 3.094 10.001 0.011 381 2HB ALA 48 2HB ALA 48 4.065 8.799 -0.843 382 3HB ALA 48 3HB ALA 48 4.797 9.790 0.421 383 H GLU 49 H GLU 49 3.520 9.527 3.346 384 HA GLU 49 HA GLU 49 6.297 9.074 4.091 385 1HB GLU 49 1HB GLU 49 3.884 10.140 5.595 386 2HB GLU 49 2HB GLU 49 5.555 10.277 6.145 387 1HG GLU 49 1HG GLU 49 4.675 11.303 3.441 388 2HG GLU 49 2HG GLU 49 4.572 12.301 4.891 389 H ASP 50 H ASP 50 3.208 7.547 4.846 390 HA ASP 50 HA ASP 50 4.214 6.000 7.108 391 1HB ASP 50 1HB ASP 50 1.843 6.643 6.795 392 2HB ASP 50 2HB ASP 50 1.783 5.694 5.309 393 H CYS 51 H CYS 51 3.867 5.538 3.631 394 HA CYS 51 HA CYS 51 4.478 2.687 3.643 395 1HB CYS 51 1HB CYS 51 3.198 3.745 1.856 396 2HB CYS 51 2HB CYS 51 4.518 4.869 1.529 397 H MET 52 H MET 52 6.295 5.682 2.981 398 HA MET 52 HA MET 52 8.803 4.392 2.369 399 1HB MET 52 1HB MET 52 7.842 6.793 1.926 400 2HB MET 52 2HB MET 52 8.511 7.159 3.517 401 1HG MET 52 1HG MET 52 10.552 7.374 2.590 402 2HG MET 52 2HG MET 52 10.482 5.692 2.065 403 1HE MET 52 1HE MET 52 7.715 6.159 -0.193 404 2HE MET 52 2HE MET 52 8.892 4.981 0.379 405 3HE MET 52 3HE MET 52 8.998 5.591 -1.270 406 H ARG 53 H ARG 53 7.391 5.689 5.373 407 HA ARG 53 HA ARG 53 9.785 5.380 6.972 408 1HB ARG 53 1HB ARG 53 6.885 5.948 7.330 409 2HB ARG 53 2HB ARG 53 7.741 5.342 8.748 410 1HG ARG 53 1HG ARG 53 9.199 7.179 8.807 411 2HG ARG 53 2HG ARG 53 8.929 7.571 7.108 412 1HD ARG 53 1HD ARG 53 7.771 9.193 8.600 413 2HD ARG 53 2HD ARG 53 6.594 8.254 7.662 414 HE ARG 53 HE ARG 53 5.852 7.415 9.744 415 1HH1 ARG 53 1HH2 ARG 53 7.770 9.473 11.066 416 2HH1 ARG 53 2HH2 ARG 53 8.609 8.437 12.172 417 1HH2 ARG 53 1HH1 ARG 53 7.555 5.508 10.644 418 2HH2 ARG 53 2HH1 ARG 53 8.486 6.193 11.934 419 H THR 54 H THR 54 7.318 3.184 5.879 420 HA THR 54 HA THR 54 8.112 1.135 7.900 421 HB THR 54 HB THR 54 5.822 1.522 5.966 422 HG1 THR 54 1HG THR 54 5.273 2.427 7.805 423 1HG2 THR 54 1HG2 THR 54 4.966 -0.665 6.610 424 2HG2 THR 54 2HG2 THR 54 6.362 -0.936 7.654 425 3HG2 THR 54 3HG2 THR 54 6.570 -0.857 5.903 426 H CYS 55 H CYS 55 7.825 1.615 4.373 427 HA CYS 55 HA CYS 55 9.126 -0.974 3.823 428 1HB CYS 55 1HB CYS 55 8.282 1.304 2.004 429 2HB CYS 55 2HB CYS 55 8.649 -0.347 1.504 430 H GLY 56 H GLY 56 9.886 2.500 3.514 431 1HA GLY 56 1HA GLY 56 12.293 2.435 2.138 432 2HA GLY 56 2HA GLY 56 12.000 3.547 3.476 433 H GLY 57 H GLY 57 14.565 2.545 3.049 434 1HA GLY 57 1HA GLY 57 15.963 1.940 5.065 435 2HA GLY 57 2HA GLY 57 14.853 0.589 5.297 436 H ALA 58 H ALA 58 16.391 1.838 2.321 437 HA ALA 58 HA ALA 58 17.277 -0.937 1.706 438 1HB ALA 58 1HB ALA 58 17.659 0.105 -0.551 439 2HB ALA 58 2HB ALA 58 17.118 1.644 0.118 440 3HB ALA 58 3HB ALA 58 16.001 0.282 0.024 Start of MODEL 9 1 1H ARG 1 1H ARG 1 13.956 -5.377 7.141 2 2H ARG 1 2H ARG 1 14.800 -5.070 5.700 3 3H ARG 1 3H ARG 1 14.072 -6.584 5.956 4 HA ARG 1 HA ARG 1 12.322 -4.244 6.061 5 1HB ARG 1 1HB ARG 1 13.393 -3.510 4.159 6 2HB ARG 1 2HB ARG 1 14.035 -5.108 3.779 7 1HG ARG 1 1HG ARG 1 11.987 -5.811 2.797 8 2HG ARG 1 2HG ARG 1 11.091 -4.471 3.511 9 1HD ARG 1 1HD ARG 1 11.418 -3.823 1.236 10 2HD ARG 1 2HD ARG 1 12.688 -2.949 2.118 11 HE ARG 1 HE ARG 1 13.080 -5.327 0.393 12 1HH1 ARG 1 1HH1 ARG 1 14.478 -2.491 1.232 13 2HH1 ARG 1 2HH1 ARG 1 16.053 -3.119 1.583 14 1HH2 ARG 1 1HH2 ARG 1 15.038 -6.436 1.497 15 2HH2 ARG 1 2HH2 ARG 1 16.370 -5.355 1.735 16 HA PRO 2 HA PRO 2 9.516 -7.636 6.129 17 1HB PRO 2 1HB PRO 2 7.271 -6.306 5.298 18 2HB PRO 2 2HB PRO 2 7.935 -6.161 6.932 19 1HG PRO 2 1HG PRO 2 8.230 -4.343 4.577 20 2HG PRO 2 2HG PRO 2 7.964 -3.936 6.279 21 1HD PRO 2 1HD PRO 2 10.399 -3.783 5.075 22 2HD PRO 2 2HD PRO 2 10.200 -4.167 6.800 23 H ASP 3 H ASP 3 8.290 -8.978 4.641 24 HA ASP 3 HA ASP 3 9.241 -8.781 1.863 25 1HB ASP 3 1HB ASP 3 8.830 -10.821 3.577 26 2HB ASP 3 2HB ASP 3 7.262 -10.817 2.771 27 H PHE 4 H PHE 4 6.326 -8.058 3.687 28 HA PHE 4 HA PHE 4 4.474 -8.218 1.482 29 1HB PHE 4 1HB PHE 4 2.989 -6.999 2.956 30 2HB PHE 4 2HB PHE 4 3.884 -8.183 3.896 31 HD1 PHE 4 1HD PHE 4 4.231 -4.565 2.809 32 HD2 PHE 4 2HD PHE 4 4.783 -7.508 5.899 33 HE1 PHE 4 1HE PHE 4 5.025 -2.808 4.347 34 HE2 PHE 4 2HE PHE 4 5.596 -5.739 7.430 35 HZ PHE 4 HZ PHE 4 5.712 -3.387 6.656 36 H CYS 5 H CYS 5 6.870 -5.863 2.346 37 HA CYS 5 HA CYS 5 5.702 -3.586 1.009 38 1HB CYS 5 1HB CYS 5 8.387 -4.470 2.006 39 2HB CYS 5 2HB CYS 5 8.315 -3.063 0.944 40 H LEU 6 H LEU 6 7.680 -6.319 -0.031 41 HA LEU 6 HA LEU 6 8.099 -5.240 -2.737 42 1HB LEU 6 1HB LEU 6 8.562 -8.043 -1.686 43 2HB LEU 6 2HB LEU 6 9.391 -7.245 -3.022 44 HG LEU 6 HG LEU 6 9.506 -6.053 -0.260 45 1HD1 LEU 6 1HD1 LEU 6 10.246 -8.644 -0.611 46 2HD1 LEU 6 2HD1 LEU 6 11.044 -7.547 0.517 47 3HD1 LEU 6 3HD1 LEU 6 11.732 -7.823 -1.084 48 1HD2 LEU 6 1HD2 LEU 6 11.142 -5.981 -2.794 49 2HD2 LEU 6 2HD2 LEU 6 11.839 -5.483 -1.254 50 3HD2 LEU 6 3HD2 LEU 6 10.436 -4.633 -1.901 51 H GLU 7 H GLU 7 5.645 -6.940 -1.087 52 HA GLU 7 HA GLU 7 4.661 -8.497 -3.365 53 1HB GLU 7 1HB GLU 7 4.021 -7.988 -0.522 54 2HB GLU 7 2HB GLU 7 2.629 -8.365 -1.537 55 1HG GLU 7 1HG GLU 7 3.650 -10.433 -2.271 56 2HG GLU 7 2HG GLU 7 5.167 -10.022 -1.471 57 HA PRO 8 HA PRO 8 2.023 -5.498 -5.178 58 1HB PRO 8 1HB PRO 8 -0.264 -6.924 -5.676 59 2HB PRO 8 2HB PRO 8 1.238 -7.148 -6.593 60 1HG PRO 8 1HG PRO 8 0.091 -8.772 -4.372 61 2HG PRO 8 2HG PRO 8 0.937 -9.302 -5.833 62 1HD PRO 8 1HD PRO 8 2.092 -9.150 -3.349 63 2HD PRO 8 2HD PRO 8 2.997 -9.027 -4.873 64 HA PRO 9 HA PRO 9 -0.582 -3.767 -2.095 65 1HB PRO 9 1HB PRO 9 -2.309 -2.297 -3.644 66 2HB PRO 9 2HB PRO 9 -0.630 -1.820 -3.328 67 1HG PRO 9 1HG PRO 9 -1.831 -3.127 -5.722 68 2HG PRO 9 2HG PRO 9 -0.565 -1.891 -5.624 69 1HD PRO 9 1HD PRO 9 -0.084 -4.555 -6.069 70 2HD PRO 9 2HD PRO 9 1.088 -3.448 -5.320 71 H TYR 10 H TYR 10 -3.055 -3.544 -1.564 72 HA TYR 10 HA TYR 10 -4.496 -5.983 -2.591 73 1HB TYR 10 1HB TYR 10 -3.634 -6.219 -0.302 74 2HB TYR 10 2HB TYR 10 -4.419 -4.711 0.165 75 HD1 TYR 10 1HD TYR 10 -6.756 -4.632 0.685 76 HD2 TYR 10 2HD TYR 10 -5.030 -8.190 -0.992 77 HE1 TYR 10 1HE TYR 10 -8.850 -5.875 1.164 78 HE2 TYR 10 2HE TYR 10 -7.122 -9.430 -0.513 79 HH TYR 10 HH TYR 10 -9.963 -7.786 0.855 80 H THR 11 H THR 11 -5.735 -4.827 -4.121 81 HA THR 11 HA THR 11 -7.176 -2.406 -3.569 82 HB THR 11 HB THR 11 -7.297 -4.672 -5.551 83 HG1 THR 11 1HG THR 11 -5.808 -2.978 -5.814 84 1HG2 THR 11 1HG2 THR 11 -9.414 -2.617 -5.024 85 2HG2 THR 11 2HG2 THR 11 -9.589 -4.301 -5.517 86 3HG2 THR 11 3HG2 THR 11 -9.078 -3.087 -6.690 87 H GLY 12 H GLY 12 -7.655 -5.748 -2.765 88 1HA GLY 12 1HA GLY 12 -9.297 -6.798 -1.449 89 2HA GLY 12 2HA GLY 12 -9.752 -5.188 -0.893 90 HA PRO 13 HA PRO 13 -12.744 -6.965 -4.147 91 1HB PRO 13 1HB PRO 13 -14.344 -8.620 -2.665 92 2HB PRO 13 2HB PRO 13 -12.911 -9.187 -3.543 93 1HG PRO 13 1HG PRO 13 -13.287 -8.641 -0.648 94 2HG PRO 13 2HG PRO 13 -12.293 -9.866 -1.446 95 1HD PRO 13 1HD PRO 13 -11.360 -7.490 -0.357 96 2HD PRO 13 2HD PRO 13 -10.498 -8.477 -1.557 97 H CYS 14 H CYS 14 -13.274 -4.632 -3.703 98 HA CYS 14 HA CYS 14 -15.853 -4.415 -2.222 99 1HB CYS 14 1HB CYS 14 -13.231 -3.161 -1.600 100 2HB CYS 14 2HB CYS 14 -14.633 -2.096 -1.501 101 H LYS 15 H LYS 15 -16.904 -2.233 -2.752 102 HA LYS 15 HA LYS 15 -16.516 -1.661 -5.642 103 1HB LYS 15 1HB LYS 15 -18.621 -0.658 -3.702 104 2HB LYS 15 2HB LYS 15 -18.728 -0.707 -5.462 105 1HG LYS 15 1HG LYS 15 -18.390 -3.177 -3.739 106 2HG LYS 15 2HG LYS 15 -19.960 -2.576 -4.278 107 1HD LYS 15 1HD LYS 15 -19.195 -2.758 -6.633 108 2HD LYS 15 2HD LYS 15 -17.651 -3.399 -6.069 109 1HE LYS 15 1HE LYS 15 -20.110 -4.761 -5.063 110 2HE LYS 15 2HE LYS 15 -19.684 -5.021 -6.767 111 1HZ LYS 15 1HZ LYS 15 -17.338 -5.364 -5.903 112 2HZ LYS 15 2HZ LYS 15 -18.446 -6.603 -5.555 113 3HZ LYS 15 3HZ LYS 15 -18.017 -5.481 -4.353 114 H ALA 16 H ALA 16 -15.193 -0.516 -2.860 115 HA ALA 16 HA ALA 16 -15.428 2.373 -3.442 116 1HB ALA 16 1HB ALA 16 -13.957 2.467 -1.384 117 2HB ALA 16 2HB ALA 16 -13.988 0.704 -1.358 118 3HB ALA 16 3HB ALA 16 -15.482 1.615 -1.140 119 H ARG 17 H ARG 17 -13.394 3.667 -3.679 120 HA ARG 17 HA ARG 17 -11.085 2.141 -4.800 121 1HB ARG 17 1HB ARG 17 -12.321 4.529 -6.188 122 2HB ARG 17 2HB ARG 17 -11.178 3.359 -6.849 123 1HG ARG 17 1HG ARG 17 -13.100 1.635 -6.272 124 2HG ARG 17 2HG ARG 17 -14.122 3.070 -6.355 125 1HD ARG 17 1HD ARG 17 -14.029 2.028 -8.575 126 2HD ARG 17 2HD ARG 17 -13.121 3.552 -8.631 127 HE ARG 17 HE ARG 17 -11.335 1.493 -7.813 128 1HH1 ARG 17 1HH1 ARG 17 -12.886 -0.014 -9.910 129 2HH1 ARG 17 2HH1 ARG 17 -11.984 0.347 -11.344 130 1HH2 ARG 17 1HH2 ARG 17 -10.305 3.033 -9.929 131 2HH2 ARG 17 2HH2 ARG 17 -10.521 2.074 -11.355 132 H ILE 18 H ILE 18 -10.342 2.985 -2.569 133 HA ILE 18 HA ILE 18 -9.827 5.885 -2.407 134 HB ILE 18 HB ILE 18 -9.043 3.535 -0.651 135 1HG1 ILE 18 1HG1 ILE 18 -11.358 5.493 -0.493 136 2HG1 ILE 18 2HG1 ILE 18 -11.478 3.774 -0.868 137 1HG2 ILE 18 1HG2 ILE 18 -9.046 6.527 -0.150 138 2HG2 ILE 18 2HG2 ILE 18 -7.626 5.484 -0.242 139 3HG2 ILE 18 3HG2 ILE 18 -8.769 5.303 1.088 140 1HD1 ILE 18 1HD1 ILE 18 -11.491 4.999 1.698 141 2HD1 ILE 18 2HD1 ILE 18 -9.978 4.104 1.564 142 3HD1 ILE 18 3HD1 ILE 18 -11.516 3.274 1.329 143 H ILE 19 H ILE 19 -7.645 6.746 -2.249 144 HA ILE 19 HA ILE 19 -5.686 5.223 -3.893 145 HB ILE 19 HB ILE 19 -5.975 8.102 -2.990 146 1HG1 ILE 19 1HG1 ILE 19 -7.492 7.313 -4.790 147 2HG1 ILE 19 2HG1 ILE 19 -6.337 8.504 -5.387 148 1HG2 ILE 19 1HG2 ILE 19 -3.866 8.578 -3.673 149 2HG2 ILE 19 2HG2 ILE 19 -3.993 7.518 -5.075 150 3HG2 ILE 19 3HG2 ILE 19 -3.562 6.850 -3.502 151 1HD1 ILE 19 1HD1 ILE 19 -6.003 6.928 -7.018 152 2HD1 ILE 19 2HD1 ILE 19 -6.556 5.603 -5.994 153 3HD1 ILE 19 3HD1 ILE 19 -4.920 6.235 -5.812 154 H ARG 20 H ARG 20 -4.980 3.758 -2.180 155 HA ARG 20 HA ARG 20 -3.775 4.952 0.247 156 1HB ARG 20 1HB ARG 20 -4.379 2.191 -0.801 157 2HB ARG 20 2HB ARG 20 -3.345 2.405 0.612 158 1HG ARG 20 1HG ARG 20 -6.169 3.476 0.305 159 2HG ARG 20 2HG ARG 20 -5.699 2.088 1.284 160 1HD ARG 20 1HD ARG 20 -5.422 3.584 2.985 161 2HD ARG 20 2HD ARG 20 -3.970 4.127 2.120 162 HE ARG 20 HE ARG 20 -5.360 5.847 1.033 163 1HH1 ARG 20 1HH2 ARG 20 -7.301 3.721 2.846 164 2HH1 ARG 20 2HH2 ARG 20 -8.392 4.945 3.404 165 1HH2 ARG 20 1HH1 ARG 20 -6.575 7.561 2.033 166 2HH2 ARG 20 2HH1 ARG 20 -7.979 7.120 2.945 167 H TYR 21 H TYR 21 -1.535 3.819 0.822 168 HA TYR 21 HA TYR 21 0.238 4.149 -1.572 169 1HB TYR 21 1HB TYR 21 0.466 4.742 1.370 170 2HB TYR 21 2HB TYR 21 1.921 4.544 0.399 171 HD1 TYR 21 1HD TYR 21 -1.084 6.597 0.963 172 HD2 TYR 21 2HD TYR 21 2.521 6.145 -1.326 173 HE1 TYR 21 1HE TYR 21 -1.301 8.936 0.156 174 HE2 TYR 21 2HE TYR 21 2.303 8.479 -2.135 175 HH TYR 21 HH TYR 21 1.140 10.646 -1.194 176 H PHE 22 H PHE 22 1.827 2.591 -1.960 177 HA PHE 22 HA PHE 22 2.127 0.330 -0.053 178 1HB PHE 22 1HB PHE 22 1.458 -1.293 -1.624 179 2HB PHE 22 2HB PHE 22 0.287 -0.010 -1.848 180 HD1 PHE 22 1HD PHE 22 3.125 -1.799 -3.308 181 HD2 PHE 22 2HD PHE 22 0.403 1.489 -3.816 182 HE1 PHE 22 1HE PHE 22 3.769 -1.634 -5.699 183 HE2 PHE 22 2HE PHE 22 1.051 1.656 -6.205 184 HZ PHE 22 HZ PHE 22 2.732 0.093 -7.148 185 H TYR 23 H TYR 23 4.100 -0.878 -0.485 186 HA TYR 23 HA TYR 23 6.220 0.842 -1.597 187 1HB TYR 23 1HB TYR 23 6.388 -0.456 0.537 188 2HB TYR 23 2HB TYR 23 6.331 -1.951 -0.405 189 HD1 TYR 23 1HD TYR 23 8.371 -2.885 -1.079 190 HD2 TYR 23 2HD TYR 23 8.140 1.343 -0.358 191 HE1 TYR 23 1HE TYR 23 10.790 -2.673 -1.568 192 HE2 TYR 23 2HE TYR 23 10.561 1.556 -0.845 193 HH TYR 23 HH TYR 23 12.664 -0.876 -0.809 194 H ASN 24 H ASN 24 6.311 0.792 -3.853 195 HA ASN 24 HA ASN 24 5.811 -1.676 -5.365 196 1HB ASN 24 1HB ASN 24 5.214 0.607 -6.157 197 2HB ASN 24 2HB ASN 24 6.922 1.037 -6.167 198 1HD2 ASN 24 1HD2 ASN 24 4.903 0.739 -8.462 199 2HD2 ASN 24 2HD2 ASN 24 5.654 -0.332 -9.544 200 H ALA 25 H ALA 25 7.529 -3.064 -4.482 201 HA ALA 25 HA ALA 25 10.232 -2.539 -4.180 202 1HB ALA 25 1HB ALA 25 9.771 -4.724 -3.687 203 2HB ALA 25 2HB ALA 25 10.249 -5.010 -5.361 204 3HB ALA 25 3HB ALA 25 8.543 -4.845 -4.947 205 H LYS 26 H LYS 26 8.421 -2.746 -7.176 206 HA LYS 26 HA LYS 26 10.738 -2.923 -8.930 207 1HB LYS 26 1HB LYS 26 8.007 -3.271 -9.101 208 2HB LYS 26 2HB LYS 26 8.239 -1.746 -9.957 209 1HG LYS 26 1HG LYS 26 10.309 -3.248 -10.944 210 2HG LYS 26 2HG LYS 26 9.069 -4.479 -10.706 211 1HD LYS 26 1HD LYS 26 7.637 -2.404 -11.826 212 2HD LYS 26 2HD LYS 26 9.186 -2.286 -12.661 213 1HE LYS 26 1HE LYS 26 9.040 -4.663 -13.299 214 2HE LYS 26 2HE LYS 26 7.508 -4.814 -12.416 215 1HZ LYS 26 1HZ LYS 26 7.510 -4.215 -14.945 216 2HZ LYS 26 2HZ LYS 26 7.856 -2.650 -14.384 217 3HZ LYS 26 3HZ LYS 26 6.431 -3.435 -13.894 218 H ALA 27 H ALA 27 8.989 -0.344 -7.334 219 HA ALA 27 HA ALA 27 10.282 1.736 -9.025 220 1HB ALA 27 1HB ALA 27 8.568 2.344 -6.656 221 2HB ALA 27 2HB ALA 27 7.803 1.513 -8.011 222 3HB ALA 27 3HB ALA 27 8.567 3.083 -8.257 223 H GLY 28 H GLY 28 10.701 0.120 -5.994 224 1HA GLY 28 1HA GLY 28 12.537 0.320 -4.506 225 2HA GLY 28 2HA GLY 28 13.095 1.713 -5.435 226 H LEU 29 H LEU 29 9.881 2.223 -4.852 227 HA LEU 29 HA LEU 29 10.265 3.421 -2.159 228 1HB LEU 29 1HB LEU 29 9.455 5.576 -3.035 229 2HB LEU 29 2HB LEU 29 10.891 5.071 -3.926 230 HG LEU 29 HG LEU 29 8.475 3.980 -5.123 231 1HD1 LEU 29 1HD1 LEU 29 7.433 6.029 -5.846 232 2HD1 LEU 29 2HD1 LEU 29 8.692 7.002 -5.086 233 3HD1 LEU 29 3HD1 LEU 29 7.553 6.100 -4.089 234 1HD2 LEU 29 1HD2 LEU 29 10.172 6.052 -6.444 235 2HD2 LEU 29 2HD2 LEU 29 9.597 4.507 -7.070 236 3HD2 LEU 29 3HD2 LEU 29 10.963 4.553 -5.955 237 H CYS 30 H CYS 30 7.738 4.934 -2.648 238 HA CYS 30 HA CYS 30 5.823 2.625 -2.596 239 1HB CYS 30 1HB CYS 30 5.867 5.232 -1.045 240 2HB CYS 30 2HB CYS 30 4.565 4.048 -0.962 241 H GLN 31 H GLN 31 3.837 2.943 -3.644 242 HA GLN 31 HA GLN 31 3.467 5.515 -5.127 243 1HB GLN 31 1HB GLN 31 3.587 2.668 -6.109 244 2HB GLN 31 2HB GLN 31 2.645 3.868 -6.996 245 1HG GLN 31 1HG GLN 31 4.901 5.284 -6.672 246 2HG GLN 31 2HG GLN 31 5.599 3.666 -6.615 247 1HE2 GLN 31 1HE2 GLN 31 6.575 3.718 -8.722 248 2HE2 GLN 31 2HE2 GLN 31 5.665 3.805 -10.152 249 H THR 32 H THR 32 1.168 5.842 -5.740 250 HA THR 32 HA THR 32 -0.634 4.865 -3.653 251 HB THR 32 HB THR 32 -2.159 6.254 -5.451 252 HG1 THR 32 1HG THR 32 -0.387 6.506 -6.843 253 1HG2 THR 32 1HG2 THR 32 -1.667 6.708 -3.000 254 2HG2 THR 32 2HG2 THR 32 -1.840 8.142 -4.012 255 3HG2 THR 32 3HG2 THR 32 -0.235 7.587 -3.536 256 H PHE 33 H PHE 33 -2.347 3.428 -3.929 257 HA PHE 33 HA PHE 33 -2.745 2.232 -6.636 258 1HB PHE 33 1HB PHE 33 -2.430 0.035 -5.804 259 2HB PHE 33 2HB PHE 33 -1.123 0.962 -5.079 260 HD1 PHE 33 1HD PHE 33 -1.218 1.624 -2.680 261 HD2 PHE 33 2HD PHE 33 -4.237 -0.858 -4.470 262 HE1 PHE 33 1HE PHE 33 -2.006 0.967 -0.434 263 HE2 PHE 33 2HE PHE 33 -5.025 -1.519 -2.213 264 HZ PHE 33 HZ PHE 33 -3.908 -0.610 -0.194 265 H VAL 34 H VAL 34 -4.821 1.045 -6.759 266 HA VAL 34 HA VAL 34 -6.959 2.533 -5.473 267 HB VAL 34 HB VAL 34 -7.084 -0.043 -7.068 268 1HG1 VAL 34 1HG1 VAL 34 -9.079 1.450 -5.871 269 2HG1 VAL 34 2HG1 VAL 34 -9.308 0.360 -7.238 270 3HG1 VAL 34 3HG1 VAL 34 -9.058 2.084 -7.517 271 1HG2 VAL 34 1HG2 VAL 34 -7.390 1.694 -8.995 272 2HG2 VAL 34 2HG2 VAL 34 -5.755 1.335 -8.439 273 3HG2 VAL 34 3HG2 VAL 34 -6.566 2.807 -7.903 274 H TYR 35 H TYR 35 -7.388 2.150 -3.330 275 HA TYR 35 HA TYR 35 -7.057 -0.562 -2.184 276 1HB TYR 35 1HB TYR 35 -6.218 1.397 -0.993 277 2HB TYR 35 2HB TYR 35 -7.807 2.160 -1.066 278 HD1 TYR 35 1HD TYR 35 -7.030 -1.419 -0.387 279 HD2 TYR 35 2HD TYR 35 -8.404 2.316 1.230 280 HE1 TYR 35 1HE TYR 35 -7.668 -2.566 1.718 281 HE2 TYR 35 2HE TYR 35 -9.043 1.169 3.335 282 HH TYR 35 HH TYR 35 -9.703 -1.336 3.936 283 H GLY 36 H GLY 36 -8.849 -1.713 -1.229 284 1HA GLY 36 1HA GLY 36 -11.443 -1.150 -2.492 285 2HA GLY 36 2HA GLY 36 -11.050 -2.569 -1.522 286 H ALA 37 H ALA 37 -9.939 -0.107 0.314 287 HA ALA 37 HA ALA 37 -10.835 1.139 2.127 288 1HB ALA 37 1HB ALA 37 -13.581 0.547 1.045 289 2HB ALA 37 2HB ALA 37 -12.511 1.642 0.171 290 3HB ALA 37 3HB ALA 37 -12.994 2.015 1.825 291 H CYS 38 H CYS 38 -11.110 -2.067 1.619 292 HA CYS 38 HA CYS 38 -12.235 -2.533 4.339 293 1HB CYS 38 1HB CYS 38 -13.628 -4.369 3.360 294 2HB CYS 38 2HB CYS 38 -14.080 -2.777 2.750 295 H ARG 39 H ARG 39 -11.679 -4.753 5.115 296 HA ARG 39 HA ARG 39 -10.002 -6.375 5.534 297 1HB ARG 39 1HB ARG 39 -10.336 -6.352 2.522 298 2HB ARG 39 2HB ARG 39 -9.441 -7.604 3.385 299 1HG ARG 39 1HG ARG 39 -11.604 -7.831 4.820 300 2HG ARG 39 2HG ARG 39 -12.386 -6.971 3.492 301 1HD ARG 39 1HD ARG 39 -12.402 -8.857 2.226 302 2HD ARG 39 2HD ARG 39 -10.663 -9.100 2.491 303 HE ARG 39 HE ARG 39 -11.596 -9.872 4.888 304 1HH1 ARG 39 1HH2 ARG 39 -12.457 -10.663 1.660 305 2HH1 ARG 39 2HH2 ARG 39 -13.383 -12.058 2.100 306 1HH2 ARG 39 1HH1 ARG 39 -12.972 -11.585 5.510 307 2HH2 ARG 39 2HH1 ARG 39 -13.674 -12.580 4.280 308 H ALA 40 H ALA 40 -9.035 -3.587 5.259 309 HA ALA 40 HA ALA 40 -6.803 -3.186 3.628 310 1HB ALA 40 1HB ALA 40 -6.149 -2.230 6.213 311 2HB ALA 40 2HB ALA 40 -7.910 -2.199 6.112 312 3HB ALA 40 3HB ALA 40 -6.942 -1.335 4.918 313 H LYS 41 H LYS 41 -4.535 -3.663 3.888 314 HA LYS 41 HA LYS 41 -3.903 -5.837 5.857 315 1HB LYS 41 1HB LYS 41 -3.037 -5.617 2.955 316 2HB LYS 41 2HB LYS 41 -2.661 -6.945 4.051 317 1HG LYS 41 1HG LYS 41 -5.236 -7.160 4.325 318 2HG LYS 41 2HG LYS 41 -5.327 -6.179 2.861 319 1HD LYS 41 1HD LYS 41 -4.621 -7.893 1.538 320 2HD LYS 41 2HD LYS 41 -3.399 -8.404 2.702 321 1HE LYS 41 1HE LYS 41 -6.372 -8.937 3.049 322 2HE LYS 41 2HE LYS 41 -5.228 -10.110 2.371 323 1HZ LYS 41 1HZ LYS 41 -4.025 -9.075 4.638 324 2HZ LYS 41 2HZ LYS 41 -4.697 -10.626 4.464 325 3HZ LYS 41 3HZ LYS 41 -5.635 -9.356 5.090 326 H ARG 42 H ARG 42 -1.202 -6.099 5.127 327 HA ARG 42 HA ARG 42 -0.025 -3.778 6.429 328 1HB ARG 42 1HB ARG 42 1.989 -5.100 6.278 329 2HB ARG 42 2HB ARG 42 0.674 -6.210 6.630 330 1HG ARG 42 1HG ARG 42 0.531 -6.312 3.980 331 2HG ARG 42 2HG ARG 42 2.217 -5.834 4.109 332 1HD ARG 42 1HD ARG 42 2.784 -7.802 5.322 333 2HD ARG 42 2HD ARG 42 1.091 -8.121 5.745 334 HE ARG 42 HE ARG 42 1.441 -8.042 2.875 335 1HH1 ARG 42 1HH1 ARG 42 3.402 -9.892 4.699 336 2HH1 ARG 42 2HH1 ARG 42 2.709 -11.426 4.292 337 1HH2 ARG 42 1HH2 ARG 42 -0.083 -10.055 2.758 338 2HH2 ARG 42 2HH2 ARG 42 0.735 -11.518 3.194 339 H ASN 43 H ASN 43 -0.241 -4.927 3.068 340 HA ASN 43 HA ASN 43 1.606 -2.809 2.147 341 1HB ASN 43 1HB ASN 43 1.309 -5.261 1.279 342 2HB ASN 43 2HB ASN 43 -0.085 -4.610 0.416 343 1HD2 ASN 43 1HD2 ASN 43 3.460 -4.176 0.817 344 2HD2 ASN 43 2HD2 ASN 43 3.704 -3.451 -0.698 345 H ASN 44 H ASN 44 -0.086 -1.274 3.216 346 HA ASN 44 HA ASN 44 -1.639 0.010 1.108 347 1HB ASN 44 1HB ASN 44 -3.103 -1.882 1.683 348 2HB ASN 44 2HB ASN 44 -2.996 -1.472 3.393 349 1HD2 ASN 44 1HD2 ASN 44 -5.534 -1.575 2.312 350 2HD2 ASN 44 2HD2 ASN 44 -6.175 -0.002 2.131 351 H PHE 45 H PHE 45 0.055 1.521 2.108 352 HA PHE 45 HA PHE 45 -0.479 2.508 4.825 353 1HB PHE 45 1HB PHE 45 1.333 3.662 2.687 354 2HB PHE 45 2HB PHE 45 1.522 3.770 4.438 355 HD1 PHE 45 1HD PHE 45 2.247 1.843 1.467 356 HD2 PHE 45 2HD PHE 45 1.950 1.598 5.749 357 HE1 PHE 45 1HE PHE 45 3.560 -0.264 1.437 358 HE2 PHE 45 2HE PHE 45 3.265 -0.508 5.718 359 HZ PHE 45 HZ PHE 45 4.067 -1.452 3.558 360 H LYS 46 H LYS 46 -1.562 4.425 5.316 361 HA LYS 46 HA LYS 46 -3.311 5.579 3.297 362 1HB LYS 46 1HB LYS 46 -3.967 5.325 5.634 363 2HB LYS 46 2HB LYS 46 -2.609 6.326 6.155 364 1HG LYS 46 1HG LYS 46 -3.973 7.853 4.220 365 2HG LYS 46 2HG LYS 46 -5.233 7.142 5.230 366 1HD LYS 46 1HD LYS 46 -2.982 8.098 6.821 367 2HD LYS 46 2HD LYS 46 -3.689 9.389 5.849 368 1HE LYS 46 1HE LYS 46 -5.131 9.503 7.660 369 2HE LYS 46 2HE LYS 46 -5.959 8.211 6.767 370 1HZ LYS 46 1HZ LYS 46 -3.683 7.432 8.419 371 2HZ LYS 46 2HZ LYS 46 -5.156 6.627 8.156 372 3HZ LYS 46 3HZ LYS 46 -5.073 7.916 9.259 373 H SER 47 H SER 47 -0.132 6.311 4.513 374 HA SER 47 HA SER 47 -0.118 8.796 2.838 375 1HB SER 47 1HB SER 47 1.142 9.898 4.622 376 2HB SER 47 2HB SER 47 -0.363 9.266 5.279 377 HG SER 47 HG SER 47 0.702 7.919 6.472 378 H ALA 48 H ALA 48 2.009 9.324 2.001 379 HA ALA 48 HA ALA 48 3.569 7.042 1.185 380 1HB ALA 48 1HB ALA 48 5.107 8.959 0.408 381 2HB ALA 48 2HB ALA 48 3.905 10.047 1.102 382 3HB ALA 48 3HB ALA 48 3.459 8.967 -0.219 383 H GLU 49 H GLU 49 3.732 9.228 3.901 384 HA GLU 49 HA GLU 49 6.497 8.701 4.623 385 1HB GLU 49 1HB GLU 49 4.068 10.011 5.783 386 2HB GLU 49 2HB GLU 49 5.398 9.625 6.876 387 1HG GLU 49 1HG GLU 49 6.937 10.952 5.599 388 2HG GLU 49 2HG GLU 49 5.788 11.123 4.272 389 H ASP 50 H ASP 50 3.363 7.262 5.407 390 HA ASP 50 HA ASP 50 4.303 5.606 7.590 391 1HB ASP 50 1HB ASP 50 1.916 5.667 5.737 392 2HB ASP 50 2HB ASP 50 2.105 4.379 6.928 393 H CYS 51 H CYS 51 3.969 5.191 4.085 394 HA CYS 51 HA CYS 51 4.701 2.367 4.060 395 1HB CYS 51 1HB CYS 51 3.387 3.508 2.294 396 2HB CYS 51 2HB CYS 51 4.770 4.541 1.931 397 H MET 52 H MET 52 6.406 5.448 3.435 398 HA MET 52 HA MET 52 8.963 4.347 2.787 399 1HB MET 52 1HB MET 52 7.727 6.854 3.087 400 2HB MET 52 2HB MET 52 9.053 6.865 4.248 401 1HG MET 52 1HG MET 52 10.452 7.295 2.532 402 2HG MET 52 2HG MET 52 10.099 5.681 1.913 403 1HE MET 52 1HE MET 52 9.167 6.477 -1.410 404 2HE MET 52 2HE MET 52 8.503 5.257 -0.326 405 3HE MET 52 3HE MET 52 10.208 5.692 -0.215 406 H ARG 53 H ARG 53 7.729 5.619 5.912 407 HA ARG 53 HA ARG 53 9.963 5.062 7.529 408 1HB ARG 53 1HB ARG 53 6.994 5.229 7.882 409 2HB ARG 53 2HB ARG 53 7.952 4.632 9.238 410 1HG ARG 53 1HG ARG 53 9.390 6.674 9.049 411 2HG ARG 53 2HG ARG 53 8.310 7.276 7.791 412 1HD ARG 53 1HD ARG 53 6.747 6.457 10.081 413 2HD ARG 53 2HD ARG 53 8.008 7.600 10.588 414 HE ARG 53 HE ARG 53 6.925 8.579 8.163 415 1HH1 ARG 53 1HH2 ARG 53 4.959 7.280 10.495 416 2HH1 ARG 53 2HH2 ARG 53 4.153 8.755 10.916 417 1HH2 ARG 53 1HH1 ARG 53 6.304 10.762 9.078 418 2HH2 ARG 53 2HH1 ARG 53 4.915 10.727 10.113 419 H THR 54 H THR 54 7.657 2.879 6.080 420 HA THR 54 HA THR 54 8.451 0.598 7.783 421 HB THR 54 HB THR 54 6.545 1.059 5.475 422 HG1 THR 54 1HG THR 54 5.121 0.290 7.237 423 1HG2 THR 54 1HG2 THR 54 7.711 -1.449 6.457 424 2HG2 THR 54 2HG2 THR 54 6.822 -1.125 4.969 425 3HG2 THR 54 3HG2 THR 54 5.947 -1.439 6.466 426 H CYS 55 H CYS 55 8.630 1.501 4.318 427 HA CYS 55 HA CYS 55 11.117 -0.143 4.099 428 1HB CYS 55 1HB CYS 55 8.692 -0.269 2.278 429 2HB CYS 55 2HB CYS 55 10.189 -1.174 2.052 430 H GLY 56 H GLY 56 11.201 2.605 4.243 431 1HA GLY 56 1HA GLY 56 11.329 3.573 1.425 432 2HA GLY 56 2HA GLY 56 11.305 4.609 2.854 433 H GLY 57 H GLY 57 13.272 5.321 1.291 434 1HA GLY 57 1HA GLY 57 15.601 5.651 1.280 435 2HA GLY 57 2HA GLY 57 15.675 4.682 2.754 436 H ALA 58 H ALA 58 16.289 4.715 -0.608 437 HA ALA 58 HA ALA 58 16.935 1.788 -0.504 438 1HB ALA 58 1HB ALA 58 15.937 1.498 -2.622 439 2HB ALA 58 2HB ALA 58 15.998 3.222 -2.987 440 3HB ALA 58 3HB ALA 58 14.831 2.609 -1.815 Start of MODEL 10 1 1H ARG 1 1H ARG 1 14.602 -5.043 4.340 2 2H ARG 1 2H ARG 1 14.196 -5.822 2.885 3 3H ARG 1 3H ARG 1 13.932 -6.602 4.371 4 HA ARG 1 HA ARG 1 12.520 -4.306 4.684 5 1HB ARG 1 1HB ARG 1 12.847 -5.093 1.821 6 2HB ARG 1 2HB ARG 1 11.239 -4.578 2.331 7 1HG ARG 1 1HG ARG 1 11.983 -2.429 2.918 8 2HG ARG 1 2HG ARG 1 13.659 -2.946 3.073 9 1HD ARG 1 1HD ARG 1 13.874 -3.167 0.658 10 2HD ARG 1 2HD ARG 1 12.138 -2.867 0.434 11 HE ARG 1 HE ARG 1 12.774 -0.586 0.487 12 1HH1 ARG 1 1HH2 ARG 1 15.695 -1.633 1.080 13 2HH1 ARG 1 2HH2 ARG 1 16.072 -0.637 2.446 14 1HH2 ARG 1 1HH1 ARG 1 12.789 0.354 2.960 15 2HH2 ARG 1 2HH1 ARG 1 14.426 0.482 3.515 16 HA PRO 2 HA PRO 2 9.647 -7.457 5.771 17 1HB PRO 2 1HB PRO 2 7.268 -6.120 5.511 18 2HB PRO 2 2HB PRO 2 8.380 -5.881 6.864 19 1HG PRO 2 1HG PRO 2 7.973 -4.243 4.405 20 2HG PRO 2 2HG PRO 2 8.272 -3.712 6.065 21 1HD PRO 2 1HD PRO 2 10.188 -3.756 4.124 22 2HD PRO 2 2HD PRO 2 10.547 -3.960 5.854 23 H ASP 3 H ASP 3 8.255 -8.993 4.807 24 HA ASP 3 HA ASP 3 8.341 -9.207 1.943 25 1HB ASP 3 1HB ASP 3 7.232 -10.641 4.286 26 2HB ASP 3 2HB ASP 3 6.399 -10.943 2.761 27 H PHE 4 H PHE 4 5.921 -7.935 4.216 28 HA PHE 4 HA PHE 4 3.765 -7.857 2.283 29 1HB PHE 4 1HB PHE 4 2.627 -6.561 3.967 30 2HB PHE 4 2HB PHE 4 3.590 -7.772 4.796 31 HD1 PHE 4 1HD PHE 4 5.074 -7.156 6.461 32 HD2 PHE 4 2HD PHE 4 3.731 -4.183 3.660 33 HE1 PHE 4 1HE PHE 4 6.177 -5.393 7.795 34 HE2 PHE 4 2HE PHE 4 4.851 -2.432 4.993 35 HZ PHE 4 HZ PHE 4 6.071 -3.025 7.058 36 H CYS 5 H CYS 5 6.521 -5.843 2.822 37 HA CYS 5 HA CYS 5 5.442 -3.508 1.420 38 1HB CYS 5 1HB CYS 5 7.049 -3.129 3.135 39 2HB CYS 5 2HB CYS 5 8.108 -4.401 2.528 40 H LEU 6 H LEU 6 7.188 -6.432 0.632 41 HA LEU 6 HA LEU 6 7.992 -5.423 -2.038 42 1HB LEU 6 1HB LEU 6 8.229 -8.205 -0.859 43 2HB LEU 6 2HB LEU 6 9.203 -7.499 -2.150 44 HG LEU 6 HG LEU 6 9.152 -6.641 0.755 45 1HD1 LEU 6 1HD1 LEU 6 10.769 -8.491 -0.803 46 2HD1 LEU 6 2HD1 LEU 6 10.751 -8.222 0.939 47 3HD1 LEU 6 3HD1 LEU 6 11.756 -7.211 -0.098 48 1HD2 LEU 6 1HD2 LEU 6 9.407 -4.677 -0.656 49 2HD2 LEU 6 2HD2 LEU 6 10.612 -5.500 -1.648 50 3HD2 LEU 6 3HD2 LEU 6 10.984 -5.080 0.024 51 H GLU 7 H GLU 7 5.355 -7.019 -0.549 52 HA GLU 7 HA GLU 7 4.461 -8.558 -2.870 53 1HB GLU 7 1HB GLU 7 3.729 -8.040 -0.087 54 2HB GLU 7 2HB GLU 7 2.314 -8.115 -1.137 55 1HG GLU 7 1HG GLU 7 2.524 -10.348 -1.385 56 2HG GLU 7 2HG GLU 7 4.238 -10.207 -1.778 57 HA PRO 8 HA PRO 8 2.378 -5.329 -5.008 58 1HB PRO 8 1HB PRO 8 0.178 -6.668 -5.967 59 2HB PRO 8 2HB PRO 8 1.810 -6.864 -6.641 60 1HG PRO 8 1HG PRO 8 0.328 -8.585 -4.695 61 2HG PRO 8 2HG PRO 8 1.325 -9.058 -6.081 62 1HD PRO 8 1HD PRO 8 2.224 -9.138 -3.521 63 2HD PRO 8 2HD PRO 8 3.294 -8.797 -4.901 64 HA PRO 9 HA PRO 9 -0.683 -3.654 -2.358 65 1HB PRO 9 1HB PRO 9 -2.320 -2.312 -4.113 66 2HB PRO 9 2HB PRO 9 -0.708 -1.737 -3.639 67 1HG PRO 9 1HG PRO 9 -1.566 -3.206 -6.095 68 2HG PRO 9 2HG PRO 9 -0.434 -1.852 -5.929 69 1HD PRO 9 1HD PRO 9 0.367 -4.436 -6.226 70 2HD PRO 9 2HD PRO 9 1.307 -3.233 -5.314 71 H TYR 10 H TYR 10 -3.320 -3.422 -2.354 72 HA TYR 10 HA TYR 10 -4.547 -5.882 -3.525 73 1HB TYR 10 1HB TYR 10 -3.480 -6.307 -1.258 74 2HB TYR 10 2HB TYR 10 -4.636 -5.161 -0.581 75 HD1 TYR 10 1HD TYR 10 -6.644 -5.996 0.242 76 HD2 TYR 10 2HD TYR 10 -4.582 -8.156 -2.845 77 HE1 TYR 10 1HE TYR 10 -8.358 -7.785 0.349 78 HE2 TYR 10 2HE TYR 10 -6.296 -9.946 -2.739 79 HH TYR 10 HH TYR 10 -8.200 -10.528 -0.372 80 H THR 11 H THR 11 -5.914 -4.505 -4.766 81 HA THR 11 HA THR 11 -7.421 -2.306 -3.737 82 HB THR 11 HB THR 11 -7.623 -4.246 -6.035 83 HG1 THR 11 1HG THR 11 -6.364 -2.112 -5.727 84 1HG2 THR 11 1HG2 THR 11 -9.787 -2.465 -4.994 85 2HG2 THR 11 2HG2 THR 11 -9.912 -4.019 -5.819 86 3HG2 THR 11 3HG2 THR 11 -9.560 -2.556 -6.740 87 H GLY 12 H GLY 12 -7.690 -5.747 -3.413 88 1HA GLY 12 1HA GLY 12 -9.186 -7.077 -2.182 89 2HA GLY 12 2HA GLY 12 -9.631 -5.603 -1.318 90 HA PRO 13 HA PRO 13 -13.023 -6.994 -4.251 91 1HB PRO 13 1HB PRO 13 -14.773 -8.023 -2.410 92 2HB PRO 13 2HB PRO 13 -13.538 -9.000 -3.226 93 1HG PRO 13 1HG PRO 13 -13.560 -7.854 -0.480 94 2HG PRO 13 2HG PRO 13 -12.908 -9.396 -1.055 95 1HD PRO 13 1HD PRO 13 -11.408 -7.138 -0.514 96 2HD PRO 13 2HD PRO 13 -10.894 -8.468 -1.577 97 H CYS 14 H CYS 14 -14.826 -6.555 -1.300 98 HA CYS 14 HA CYS 14 -16.388 -4.836 -0.784 99 1HB CYS 14 1HB CYS 14 -13.583 -3.870 -0.876 100 2HB CYS 14 2HB CYS 14 -14.818 -2.616 -0.768 101 H LYS 15 H LYS 15 -16.411 -2.123 -1.593 102 HA LYS 15 HA LYS 15 -16.608 -2.217 -4.571 103 1HB LYS 15 1HB LYS 15 -18.890 -0.889 -3.956 104 2HB LYS 15 2HB LYS 15 -18.841 -2.634 -4.190 105 1HG LYS 15 1HG LYS 15 -18.492 -2.915 -1.732 106 2HG LYS 15 2HG LYS 15 -18.661 -1.170 -1.537 107 1HD LYS 15 1HD LYS 15 -20.835 -2.401 -3.093 108 2HD LYS 15 2HD LYS 15 -20.737 -2.983 -1.431 109 1HE LYS 15 1HE LYS 15 -20.399 -0.300 -1.037 110 2HE LYS 15 2HE LYS 15 -21.473 -0.296 -2.449 111 1HZ LYS 15 1HZ LYS 15 -22.371 -0.607 0.025 112 2HZ LYS 15 2HZ LYS 15 -22.037 -2.233 -0.331 113 3HZ LYS 15 3HZ LYS 15 -23.114 -1.351 -1.305 114 H ALA 16 H ALA 16 -14.592 -0.863 -3.206 115 HA ALA 16 HA ALA 16 -15.400 1.985 -3.646 116 1HB ALA 16 1HB ALA 16 -13.610 1.019 -1.404 117 2HB ALA 16 2HB ALA 16 -15.354 1.199 -1.208 118 3HB ALA 16 3HB ALA 16 -14.359 2.607 -1.579 119 H ARG 17 H ARG 17 -13.200 3.339 -3.547 120 HA ARG 17 HA ARG 17 -10.884 1.868 -4.656 121 1HB ARG 17 1HB ARG 17 -10.973 3.497 -6.658 122 2HB ARG 17 2HB ARG 17 -12.158 2.192 -6.649 123 1HG ARG 17 1HG ARG 17 -13.896 3.646 -5.910 124 2HG ARG 17 2HG ARG 17 -12.751 4.914 -5.475 125 1HD ARG 17 1HD ARG 17 -13.814 5.511 -7.599 126 2HD ARG 17 2HD ARG 17 -12.125 5.075 -7.925 127 HE ARG 17 HE ARG 17 -13.166 2.692 -8.325 128 1HH1 ARG 17 1HH1 ARG 17 -15.959 3.961 -8.023 129 2HH1 ARG 17 2HH1 ARG 17 -16.413 4.130 -9.685 130 1HH2 ARG 17 1HH2 ARG 17 -13.194 3.663 -10.888 131 2HH2 ARG 17 2HH2 ARG 17 -14.849 3.961 -11.307 132 H ILE 18 H ILE 18 -10.375 2.889 -2.410 133 HA ILE 18 HA ILE 18 -9.987 5.788 -2.325 134 HB ILE 18 HB ILE 18 -9.098 3.493 -0.548 135 1HG1 ILE 18 1HG1 ILE 18 -11.366 5.445 -0.110 136 2HG1 ILE 18 2HG1 ILE 18 -11.602 3.921 -0.965 137 1HG2 ILE 18 1HG2 ILE 18 -9.286 5.682 1.062 138 2HG2 ILE 18 2HG2 ILE 18 -8.712 6.428 -0.429 139 3HG2 ILE 18 3HG2 ILE 18 -7.777 5.139 0.326 140 1HD1 ILE 18 1HD1 ILE 18 -12.083 3.261 1.209 141 2HD1 ILE 18 2HD1 ILE 18 -10.943 4.404 1.918 142 3HD1 ILE 18 3HD1 ILE 18 -10.352 2.928 1.155 143 H ILE 19 H ILE 19 -7.858 6.796 -2.087 144 HA ILE 19 HA ILE 19 -5.818 5.533 -3.826 145 HB ILE 19 HB ILE 19 -6.009 8.254 -2.490 146 1HG1 ILE 19 1HG1 ILE 19 -7.858 7.916 -4.038 147 2HG1 ILE 19 2HG1 ILE 19 -6.681 8.991 -4.793 148 1HG2 ILE 19 1HG2 ILE 19 -3.712 7.377 -3.250 149 2HG2 ILE 19 2HG2 ILE 19 -4.221 8.936 -3.899 150 3HG2 ILE 19 3HG2 ILE 19 -4.345 7.484 -4.892 151 1HD1 ILE 19 1HD1 ILE 19 -7.337 6.141 -5.435 152 2HD1 ILE 19 2HD1 ILE 19 -5.689 6.704 -5.707 153 3HD1 ILE 19 3HD1 ILE 19 -7.036 7.493 -6.526 154 H ARG 20 H ARG 20 -5.285 3.857 -2.113 155 HA ARG 20 HA ARG 20 -3.978 4.829 0.340 156 1HB ARG 20 1HB ARG 20 -4.671 2.200 -0.935 157 2HB ARG 20 2HB ARG 20 -3.512 2.229 0.393 158 1HG ARG 20 1HG ARG 20 -6.272 3.482 0.521 159 2HG ARG 20 2HG ARG 20 -5.894 1.872 1.131 160 1HD ARG 20 1HD ARG 20 -4.649 2.704 2.918 161 2HD ARG 20 2HD ARG 20 -4.201 4.183 2.049 162 HE ARG 20 HE ARG 20 -6.314 5.120 2.668 163 1HH1 ARG 20 1HH1 ARG 20 -5.642 2.702 4.745 164 2HH1 ARG 20 2HH1 ARG 20 -7.276 2.237 5.087 165 1HH2 ARG 20 1HH2 ARG 20 -8.631 4.123 2.512 166 2HH2 ARG 20 2HH2 ARG 20 -8.968 3.043 3.823 167 H TYR 21 H TYR 21 -1.722 3.795 0.802 168 HA TYR 21 HA TYR 21 0.005 4.230 -1.608 169 1HB TYR 21 1HB TYR 21 0.107 4.920 1.285 170 2HB TYR 21 2HB TYR 21 1.644 4.520 0.521 171 HD1 TYR 21 1HD TYR 21 2.435 5.824 -1.456 172 HD2 TYR 21 2HD TYR 21 -1.056 6.948 0.777 173 HE1 TYR 21 1HE TYR 21 2.524 8.090 -2.462 174 HE2 TYR 21 2HE TYR 21 -0.971 9.213 -0.229 175 HH TYR 21 HH TYR 21 0.700 9.973 -2.912 176 H PHE 22 H PHE 22 1.622 2.720 -2.064 177 HA PHE 22 HA PHE 22 2.013 0.424 -0.212 178 1HB PHE 22 1HB PHE 22 1.322 -1.171 -1.787 179 2HB PHE 22 2HB PHE 22 0.171 0.125 -2.053 180 HD1 PHE 22 1HD PHE 22 3.086 -1.649 -3.399 181 HD2 PHE 22 2HD PHE 22 0.311 1.569 -4.036 182 HE1 PHE 22 1HE PHE 22 3.817 -1.489 -5.764 183 HE2 PHE 22 2HE PHE 22 1.041 1.732 -6.402 184 HZ PHE 22 HZ PHE 22 2.797 0.203 -7.266 185 H TYR 23 H TYR 23 3.985 -0.843 -0.888 186 HA TYR 23 HA TYR 23 6.032 1.032 -1.989 187 1HB TYR 23 1HB TYR 23 6.330 -0.116 0.207 188 2HB TYR 23 2HB TYR 23 6.294 -1.672 -0.627 189 HD1 TYR 23 1HD TYR 23 8.225 -2.512 -1.744 190 HD2 TYR 23 2HD TYR 23 8.126 1.566 -0.398 191 HE1 TYR 23 1HE TYR 23 10.638 -2.281 -2.269 192 HE2 TYR 23 2HE TYR 23 10.538 1.798 -0.927 193 HH TYR 23 HH TYR 23 12.309 0.836 -1.893 194 H ASN 24 H ASN 24 6.573 0.832 -4.123 195 HA ASN 24 HA ASN 24 5.943 -1.656 -5.604 196 1HB ASN 24 1HB ASN 24 5.418 0.582 -6.510 197 2HB ASN 24 2HB ASN 24 7.120 1.027 -6.414 198 1HD2 ASN 24 1HD2 ASN 24 5.596 0.947 -8.905 199 2HD2 ASN 24 2HD2 ASN 24 6.287 -0.258 -9.881 200 H ALA 25 H ALA 25 7.574 -3.115 -4.745 201 HA ALA 25 HA ALA 25 10.279 -2.669 -4.294 202 1HB ALA 25 1HB ALA 25 9.842 -4.858 -3.878 203 2HB ALA 25 2HB ALA 25 10.190 -5.130 -5.586 204 3HB ALA 25 3HB ALA 25 8.527 -4.893 -5.052 205 H LYS 26 H LYS 26 8.600 -2.778 -7.375 206 HA LYS 26 HA LYS 26 10.999 -3.004 -9.013 207 1HB LYS 26 1HB LYS 26 8.420 -3.477 -9.444 208 2HB LYS 26 2HB LYS 26 8.420 -1.787 -9.947 209 1HG LYS 26 1HG LYS 26 10.429 -3.793 -10.996 210 2HG LYS 26 2HG LYS 26 8.877 -3.510 -11.785 211 1HD LYS 26 1HD LYS 26 9.592 -0.983 -11.647 212 2HD LYS 26 2HD LYS 26 11.217 -1.648 -11.476 213 1HE LYS 26 1HE LYS 26 10.974 -1.397 -13.824 214 2HE LYS 26 2HE LYS 26 10.559 -3.103 -13.565 215 1HZ LYS 26 1HZ LYS 26 8.859 -0.861 -14.276 216 2HZ LYS 26 2HZ LYS 26 8.229 -1.859 -13.054 217 3HZ LYS 26 3HZ LYS 26 8.638 -2.518 -14.565 218 H ALA 27 H ALA 27 9.235 -0.404 -7.472 219 HA ALA 27 HA ALA 27 10.657 1.674 -9.054 220 1HB ALA 27 1HB ALA 27 8.889 2.979 -8.419 221 2HB ALA 27 2HB ALA 27 8.959 2.414 -6.750 222 3HB ALA 27 3HB ALA 27 8.140 1.445 -7.975 223 H GLY 28 H GLY 28 10.499 0.335 -5.773 224 1HA GLY 28 1HA GLY 28 12.412 0.275 -4.300 225 2HA GLY 28 2HA GLY 28 13.114 1.618 -5.204 226 H LEU 29 H LEU 29 10.071 2.637 -4.926 227 HA LEU 29 HA LEU 29 10.481 3.800 -2.193 228 1HB LEU 29 1HB LEU 29 9.160 5.210 -4.518 229 2HB LEU 29 2HB LEU 29 9.869 5.920 -3.068 230 HG LEU 29 HG LEU 29 12.020 4.593 -4.135 231 1HD1 LEU 29 1HD1 LEU 29 10.330 4.277 -6.159 232 2HD1 LEU 29 2HD1 LEU 29 12.027 4.658 -6.457 233 3HD1 LEU 29 3HD1 LEU 29 10.809 5.933 -6.526 234 1HD2 LEU 29 1HD2 LEU 29 11.262 7.204 -3.563 235 2HD2 LEU 29 2HD2 LEU 29 11.697 7.271 -5.270 236 3HD2 LEU 29 3HD2 LEU 29 12.867 6.692 -4.085 237 H CYS 30 H CYS 30 7.927 5.271 -2.621 238 HA CYS 30 HA CYS 30 6.019 2.972 -2.354 239 1HB CYS 30 1HB CYS 30 6.198 5.616 -0.876 240 2HB CYS 30 2HB CYS 30 4.868 4.475 -0.693 241 H GLN 31 H GLN 31 3.937 3.303 -3.257 242 HA GLN 31 HA GLN 31 3.495 5.841 -4.769 243 1HB GLN 31 1HB GLN 31 3.351 2.991 -5.800 244 2HB GLN 31 2HB GLN 31 2.793 4.399 -6.705 245 1HG GLN 31 1HG GLN 31 5.021 5.337 -6.737 246 2HG GLN 31 2HG GLN 31 5.613 4.092 -5.636 247 1HE2 GLN 31 1HE2 GLN 31 6.571 4.642 -8.405 248 2HE2 GLN 31 2HE2 GLN 31 6.320 3.209 -9.281 249 H THR 32 H THR 32 1.104 5.656 -5.736 250 HA THR 32 HA THR 32 -0.617 4.763 -3.464 251 HB THR 32 HB THR 32 -2.154 6.455 -4.309 252 HG1 THR 32 1HG THR 32 -0.516 6.201 -6.529 253 1HG2 THR 32 1HG2 THR 32 -0.269 7.225 -2.917 254 2HG2 THR 32 2HG2 THR 32 -0.727 8.448 -4.102 255 3HG2 THR 32 3HG2 THR 32 0.705 7.454 -4.368 256 H PHE 33 H PHE 33 -2.454 3.484 -3.862 257 HA PHE 33 HA PHE 33 -2.909 2.516 -6.648 258 1HB PHE 33 1HB PHE 33 -2.638 0.239 -5.999 259 2HB PHE 33 2HB PHE 33 -1.276 1.080 -5.268 260 HD1 PHE 33 1HD PHE 33 -4.296 -0.832 -4.670 261 HD2 PHE 33 2HD PHE 33 -1.377 1.716 -2.814 262 HE1 PHE 33 1HE PHE 33 -5.019 -1.625 -2.435 263 HE2 PHE 33 2HE PHE 33 -2.107 0.934 -0.589 264 HZ PHE 33 HZ PHE 33 -3.925 -0.742 -0.392 265 H VAL 34 H VAL 34 -5.021 1.329 -6.792 266 HA VAL 34 HA VAL 34 -7.105 2.728 -5.317 267 HB VAL 34 HB VAL 34 -7.091 0.396 -7.258 268 1HG1 VAL 34 1HG1 VAL 34 -9.159 1.133 -5.556 269 2HG1 VAL 34 2HG1 VAL 34 -9.338 0.237 -7.064 270 3HG1 VAL 34 3HG1 VAL 34 -9.536 1.989 -7.050 271 1HG2 VAL 34 1HG2 VAL 34 -6.472 3.047 -7.679 272 2HG2 VAL 34 2HG2 VAL 34 -8.198 3.011 -8.039 273 3HG2 VAL 34 3HG2 VAL 34 -7.093 1.953 -8.915 274 H TYR 35 H TYR 35 -7.446 2.174 -3.194 275 HA TYR 35 HA TYR 35 -7.100 -0.636 -2.305 276 1HB TYR 35 1HB TYR 35 -6.084 1.033 -0.950 277 2HB TYR 35 2HB TYR 35 -7.516 2.059 -0.997 278 HD1 TYR 35 1HD TYR 35 -7.354 -1.625 -0.435 279 HD2 TYR 35 2HD TYR 35 -8.097 2.241 1.290 280 HE1 TYR 35 1HE TYR 35 -8.203 -2.706 1.628 281 HE2 TYR 35 2HE TYR 35 -8.947 1.157 3.353 282 HH TYR 35 HH TYR 35 -9.041 -0.811 4.488 283 H GLY 36 H GLY 36 -8.843 -1.891 -1.512 284 1HA GLY 36 1HA GLY 36 -11.498 -1.199 -2.484 285 2HA GLY 36 2HA GLY 36 -11.072 -2.661 -1.598 286 H ALA 37 H ALA 37 -9.948 -0.022 0.122 287 HA ALA 37 HA ALA 37 -10.794 1.198 1.972 288 1HB ALA 37 1HB ALA 37 -12.747 1.332 0.226 289 2HB ALA 37 2HB ALA 37 -13.070 1.752 1.908 290 3HB ALA 37 3HB ALA 37 -13.536 0.167 1.289 291 H CYS 38 H CYS 38 -10.943 -2.135 1.588 292 HA CYS 38 HA CYS 38 -11.282 -2.504 4.513 293 1HB CYS 38 1HB CYS 38 -13.046 -4.141 4.210 294 2HB CYS 38 2HB CYS 38 -13.525 -2.666 3.371 295 H ARG 39 H ARG 39 -10.869 -4.961 5.008 296 HA ARG 39 HA ARG 39 -9.169 -6.625 4.983 297 1HB ARG 39 1HB ARG 39 -10.344 -6.416 2.210 298 2HB ARG 39 2HB ARG 39 -9.136 -7.645 2.585 299 1HG ARG 39 1HG ARG 39 -10.848 -7.917 4.705 300 2HG ARG 39 2HG ARG 39 -11.965 -7.460 3.419 301 1HD ARG 39 1HD ARG 39 -11.751 -9.491 2.411 302 2HD ARG 39 2HD ARG 39 -9.980 -9.437 2.537 303 HE ARG 39 HE ARG 39 -11.808 -10.267 4.769 304 1HH1 ARG 39 1HH1 ARG 39 -8.874 -9.291 5.182 305 2HH1 ARG 39 2HH1 ARG 39 -8.076 -10.818 5.356 306 1HH2 ARG 39 1HH2 ARG 39 -10.737 -12.652 4.104 307 2HH2 ARG 39 2HH2 ARG 39 -9.129 -12.720 4.742 308 H ALA 40 H ALA 40 -7.900 -4.196 5.044 309 HA ALA 40 HA ALA 40 -6.051 -3.970 2.745 310 1HB ALA 40 1HB ALA 40 -5.265 -2.003 4.107 311 2HB ALA 40 2HB ALA 40 -6.434 -2.460 5.344 312 3HB ALA 40 3HB ALA 40 -6.988 -1.971 3.746 313 H LYS 41 H LYS 41 -3.884 -4.540 2.817 314 HA LYS 41 HA LYS 41 -2.972 -6.095 5.191 315 1HB LYS 41 1HB LYS 41 -1.812 -5.734 2.404 316 2HB LYS 41 2HB LYS 41 -1.254 -6.895 3.610 317 1HG LYS 41 1HG LYS 41 -2.873 -8.356 3.040 318 2HG LYS 41 2HG LYS 41 -4.120 -7.119 3.214 319 1HD LYS 41 1HD LYS 41 -4.336 -7.403 0.956 320 2HD LYS 41 2HD LYS 41 -2.947 -6.318 0.893 321 1HE LYS 41 1HE LYS 41 -1.948 -8.018 -0.275 322 2HE LYS 41 2HE LYS 41 -1.763 -8.790 1.313 323 1HZ LYS 41 1HZ LYS 41 -4.352 -8.976 -0.064 324 2HZ LYS 41 2HZ LYS 41 -3.611 -10.083 0.991 325 3HZ LYS 41 3HZ LYS 41 -3.089 -9.960 -0.622 326 H ARG 42 H ARG 42 -0.215 -5.707 4.969 327 HA ARG 42 HA ARG 42 0.125 -3.132 6.244 328 1HB ARG 42 1HB ARG 42 2.050 -5.199 5.138 329 2HB ARG 42 2HB ARG 42 2.547 -3.810 6.107 330 1HG ARG 42 1HG ARG 42 1.936 -4.846 8.017 331 2HG ARG 42 2HG ARG 42 0.339 -5.217 7.365 332 1HD ARG 42 1HD ARG 42 0.966 -7.388 7.146 333 2HD ARG 42 2HD ARG 42 2.261 -6.887 6.043 334 HE ARG 42 HE ARG 42 3.766 -7.054 7.853 335 1HH1 ARG 42 1HH1 ARG 42 1.639 -8.928 9.053 336 2HH1 ARG 42 2HH1 ARG 42 1.521 -8.290 10.658 337 1HH2 ARG 42 1HH2 ARG 42 3.141 -5.325 9.884 338 2HH2 ARG 42 2HH2 ARG 42 2.371 -6.251 11.129 339 H ASN 43 H ASN 43 0.765 -4.366 2.966 340 HA ASN 43 HA ASN 43 2.108 -1.931 2.081 341 1HB ASN 43 1HB ASN 43 1.985 -4.498 1.234 342 2HB ASN 43 2HB ASN 43 0.786 -3.780 0.158 343 1HD2 ASN 43 1HD2 ASN 43 3.242 -4.744 -0.901 344 2HD2 ASN 43 2HD2 ASN 43 4.176 -3.427 -1.420 345 H ASN 44 H ASN 44 -0.110 -0.980 3.261 346 HA ASN 44 HA ASN 44 -1.641 0.217 1.039 347 1HB ASN 44 1HB ASN 44 -2.854 -1.867 1.514 348 2HB ASN 44 2HB ASN 44 -2.847 -1.513 3.240 349 1HD2 ASN 44 1HD2 ASN 44 -5.339 -1.926 2.174 350 2HD2 ASN 44 2HD2 ASN 44 -6.192 -0.453 2.003 351 H PHE 45 H PHE 45 -0.095 1.821 2.219 352 HA PHE 45 HA PHE 45 -1.042 2.765 4.853 353 1HB PHE 45 1HB PHE 45 1.086 3.945 3.048 354 2HB PHE 45 2HB PHE 45 0.980 4.047 4.806 355 HD1 PHE 45 1HD PHE 45 1.851 1.899 1.941 356 HD2 PHE 45 2HD PHE 45 1.592 2.130 6.224 357 HE1 PHE 45 1HE PHE 45 3.203 -0.172 2.133 358 HE2 PHE 45 2HE PHE 45 2.945 0.057 6.416 359 HZ PHE 45 HZ PHE 45 3.746 -1.105 4.369 360 H LYS 46 H LYS 46 -1.464 5.169 5.097 361 HA LYS 46 HA LYS 46 -3.291 6.069 2.942 362 1HB LYS 46 1HB LYS 46 -2.659 7.223 5.677 363 2HB LYS 46 2HB LYS 46 -4.049 7.627 4.667 364 1HG LYS 46 1HG LYS 46 -4.752 5.221 4.784 365 2HG LYS 46 2HG LYS 46 -3.432 4.934 5.919 366 1HD LYS 46 1HD LYS 46 -4.671 7.142 7.008 367 2HD LYS 46 2HD LYS 46 -6.036 6.235 6.355 368 1HE LYS 46 1HE LYS 46 -4.360 4.316 7.588 369 2HE LYS 46 2HE LYS 46 -4.468 5.677 8.721 370 1HZ LYS 46 1HZ LYS 46 -6.962 5.605 7.897 371 2HZ LYS 46 2HZ LYS 46 -6.432 4.629 9.183 372 3HZ LYS 46 3HZ LYS 46 -6.591 3.973 7.624 373 H SER 47 H SER 47 -0.062 6.547 3.869 374 HA SER 47 HA SER 47 0.128 8.921 2.083 375 1HB SER 47 1HB SER 47 1.321 10.180 3.807 376 2HB SER 47 2HB SER 47 -0.250 9.686 4.426 377 HG SER 47 HG SER 47 2.182 9.068 5.357 378 H ALA 48 H ALA 48 2.297 9.262 1.302 379 HA ALA 48 HA ALA 48 3.845 6.885 0.857 380 1HB ALA 48 1HB ALA 48 5.266 8.375 -0.349 381 2HB ALA 48 2HB ALA 48 4.826 9.741 0.677 382 3HB ALA 48 3HB ALA 48 3.658 9.091 -0.474 383 H GLU 49 H GLU 49 3.910 9.361 3.334 384 HA GLU 49 HA GLU 49 6.571 8.796 4.342 385 1HB GLU 49 1HB GLU 49 4.085 10.210 5.304 386 2HB GLU 49 2HB GLU 49 5.478 10.026 6.371 387 1HG GLU 49 1HG GLU 49 6.789 11.450 5.120 388 2HG GLU 49 2HG GLU 49 5.998 11.013 3.604 389 H ASP 50 H ASP 50 3.325 7.552 4.982 390 HA ASP 50 HA ASP 50 4.014 6.058 7.367 391 1HB ASP 50 1HB ASP 50 1.721 6.764 6.704 392 2HB ASP 50 2HB ASP 50 1.810 5.696 5.302 393 H CYS 51 H CYS 51 3.951 5.384 3.896 394 HA CYS 51 HA CYS 51 4.532 2.547 4.098 395 1HB CYS 51 1HB CYS 51 3.517 3.478 2.113 396 2HB CYS 51 2HB CYS 51 4.805 4.670 1.943 397 H MET 52 H MET 52 6.484 5.484 3.517 398 HA MET 52 HA MET 52 9.030 4.196 3.240 399 1HB MET 52 1HB MET 52 8.077 6.673 2.884 400 2HB MET 52 2HB MET 52 8.751 6.896 4.499 401 1HG MET 52 1HG MET 52 10.902 6.727 3.755 402 2HG MET 52 2HG MET 52 10.502 5.462 2.594 403 1HE MET 52 1HE MET 52 11.580 6.641 -0.011 404 2HE MET 52 2HE MET 52 9.899 6.719 -0.531 405 3HE MET 52 3HE MET 52 10.398 5.492 0.631 406 H ARG 53 H ARG 53 7.742 5.984 6.082 407 HA ARG 53 HA ARG 53 9.672 5.410 7.979 408 1HB ARG 53 1HB ARG 53 7.084 6.386 7.915 409 2HB ARG 53 2HB ARG 53 6.924 4.952 8.931 410 1HG ARG 53 1HG ARG 53 9.222 6.034 9.928 411 2HG ARG 53 2HG ARG 53 8.351 7.493 9.451 412 1HD ARG 53 1HD ARG 53 6.766 5.420 10.897 413 2HD ARG 53 2HD ARG 53 7.962 6.321 11.849 414 HE ARG 53 HE ARG 53 5.709 7.543 10.305 415 1HH1 ARG 53 1HH2 ARG 53 8.696 8.260 11.697 416 2HH1 ARG 53 2HH2 ARG 53 8.125 9.591 12.645 417 1HH2 ARG 53 1HH1 ARG 53 4.784 9.032 11.901 418 2HH2 ARG 53 2HH1 ARG 53 5.909 10.027 12.762 419 H THR 54 H THR 54 7.399 3.182 6.518 420 HA THR 54 HA THR 54 8.134 1.008 8.413 421 HB THR 54 HB THR 54 6.022 1.536 6.332 422 HG1 THR 54 1HG THR 54 4.998 0.429 8.386 423 1HG2 THR 54 1HG2 THR 54 6.775 -1.172 7.464 424 2HG2 THR 54 2HG2 THR 54 6.788 -0.695 5.766 425 3HG2 THR 54 3HG2 THR 54 5.258 -0.830 6.632 426 H CYS 55 H CYS 55 8.378 1.927 4.986 427 HA CYS 55 HA CYS 55 10.443 -0.214 4.636 428 1HB CYS 55 1HB CYS 55 7.961 -0.558 3.762 429 2HB CYS 55 2HB CYS 55 8.514 0.476 2.444 430 H GLY 56 H GLY 56 11.105 2.463 5.132 431 1HA GLY 56 1HA GLY 56 11.566 3.741 2.502 432 2HA GLY 56 2HA GLY 56 11.908 4.463 4.076 433 H GLY 57 H GLY 57 13.516 3.671 1.462 434 1HA GLY 57 1HA GLY 57 16.081 3.659 2.391 435 2HA GLY 57 2HA GLY 57 15.622 1.969 2.598 436 H ALA 58 H ALA 58 16.860 1.052 0.963 437 HA ALA 58 HA ALA 58 17.369 0.400 -1.252 438 1HB ALA 58 1HB ALA 58 15.312 0.101 -2.140 439 2HB ALA 58 2HB ALA 58 15.383 1.763 -2.722 440 3HB ALA 58 3HB ALA 58 14.655 1.408 -1.156 Start of MODEL 11 1 1H ARG 1 1H ARG 1 14.355 -5.238 6.635 2 2H ARG 1 2H ARG 1 14.925 -5.201 5.035 3 3H ARG 1 3H ARG 1 14.190 -6.605 5.645 4 HA ARG 1 HA ARG 1 12.577 -4.174 5.731 5 1HB ARG 1 1HB ARG 1 13.956 -5.216 3.366 6 2HB ARG 1 2HB ARG 1 12.206 -5.172 3.157 7 1HG ARG 1 1HG ARG 1 12.295 -2.780 4.038 8 2HG ARG 1 2HG ARG 1 14.049 -2.879 3.872 9 1HD ARG 1 1HD ARG 1 11.959 -3.076 1.678 10 2HD ARG 1 2HD ARG 1 13.301 -1.922 1.813 11 HE ARG 1 HE ARG 1 13.498 -4.573 0.710 12 1HH1 ARG 1 1HH2 ARG 1 15.194 -1.945 2.045 13 2HH1 ARG 1 2HH2 ARG 1 16.723 -2.759 2.098 14 1HH2 ARG 1 1HH1 ARG 1 15.428 -5.819 1.109 15 2HH2 ARG 1 2HH1 ARG 1 16.856 -4.951 1.570 16 HA PRO 2 HA PRO 2 9.738 -7.436 6.637 17 1HB PRO 2 1HB PRO 2 7.418 -6.079 6.114 18 2HB PRO 2 2HB PRO 2 8.370 -5.840 7.588 19 1HG PRO 2 1HG PRO 2 8.277 -4.222 5.080 20 2HG PRO 2 2HG PRO 2 8.347 -3.672 6.761 21 1HD PRO 2 1HD PRO 2 10.509 -3.719 5.111 22 2HD PRO 2 2HD PRO 2 10.633 -3.949 6.871 23 H ASP 3 H ASP 3 8.246 -8.843 5.506 24 HA ASP 3 HA ASP 3 8.714 -8.955 2.623 25 1HB ASP 3 1HB ASP 3 7.605 -11.074 2.826 26 2HB ASP 3 2HB ASP 3 8.551 -10.878 4.302 27 H PHE 4 H PHE 4 6.147 -7.842 4.775 28 HA PHE 4 HA PHE 4 4.047 -7.855 2.790 29 1HB PHE 4 1HB PHE 4 2.810 -6.636 4.419 30 2HB PHE 4 2HB PHE 4 3.871 -7.703 5.334 31 HD1 PHE 4 1HD PHE 4 3.670 -4.194 3.983 32 HD2 PHE 4 2HD PHE 4 5.317 -6.840 6.952 33 HE1 PHE 4 1HE PHE 4 4.619 -2.263 5.192 34 HE2 PHE 4 2HE PHE 4 6.269 -4.889 8.150 35 HZ PHE 4 HZ PHE 4 5.910 -2.600 7.264 36 H CYS 5 H CYS 5 6.767 -5.785 3.294 37 HA CYS 5 HA CYS 5 5.625 -3.470 1.900 38 1HB CYS 5 1HB CYS 5 8.233 -4.326 3.098 39 2HB CYS 5 2HB CYS 5 8.263 -3.013 1.922 40 H LEU 6 H LEU 6 7.423 -6.370 1.110 41 HA LEU 6 HA LEU 6 8.186 -5.460 -1.580 42 1HB LEU 6 1HB LEU 6 8.165 -8.262 -0.428 43 2HB LEU 6 2HB LEU 6 9.202 -7.633 -1.709 44 HG LEU 6 HG LEU 6 9.237 -6.802 1.210 45 1HD1 LEU 6 1HD1 LEU 6 10.602 -8.605 1.348 46 2HD1 LEU 6 2HD1 LEU 6 11.764 -7.629 0.449 47 3HD1 LEU 6 3HD1 LEU 6 10.711 -8.758 -0.404 48 1HD2 LEU 6 1HD2 LEU 6 10.230 -5.525 -1.244 49 2HD2 LEU 6 2HD2 LEU 6 11.481 -5.759 -0.021 50 3HD2 LEU 6 3HD2 LEU 6 10.024 -4.845 0.370 51 H GLU 7 H GLU 7 5.449 -6.939 -0.077 52 HA GLU 7 HA GLU 7 4.422 -8.338 -2.411 53 1HB GLU 7 1HB GLU 7 3.682 -7.713 0.369 54 2HB GLU 7 2HB GLU 7 2.298 -7.801 -0.721 55 1HG GLU 7 1HG GLU 7 2.425 -10.048 -0.672 56 2HG GLU 7 2HG GLU 7 4.042 -9.962 -1.370 57 HA PRO 8 HA PRO 8 2.530 -4.970 -4.498 58 1HB PRO 8 1HB PRO 8 0.292 -6.177 -5.520 59 2HB PRO 8 2HB PRO 8 1.925 -6.462 -6.153 60 1HG PRO 8 1HG PRO 8 0.263 -8.130 -4.329 61 2HG PRO 8 2HG PRO 8 1.359 -8.627 -5.625 62 1HD PRO 8 1HD PRO 8 1.978 -8.705 -2.947 63 2HD PRO 8 2HD PRO 8 3.184 -8.585 -4.247 64 HA PRO 9 HA PRO 9 -0.643 -3.170 -2.057 65 1HB PRO 9 1HB PRO 9 -2.249 -1.943 -3.907 66 2HB PRO 9 2HB PRO 9 -0.643 -1.340 -3.460 67 1HG PRO 9 1HG PRO 9 -1.507 -2.916 -5.840 68 2HG PRO 9 2HG PRO 9 -0.326 -1.601 -5.724 69 1HD PRO 9 1HD PRO 9 0.336 -4.259 -5.870 70 2HD PRO 9 2HD PRO 9 1.363 -3.021 -5.112 71 H TYR 10 H TYR 10 -3.066 -3.208 -1.622 72 HA TYR 10 HA TYR 10 -4.332 -5.662 -2.820 73 1HB TYR 10 1HB TYR 10 -3.403 -5.521 -0.336 74 2HB TYR 10 2HB TYR 10 -4.932 -4.686 -0.050 75 HD1 TYR 10 1HD TYR 10 -6.816 -5.969 0.433 76 HD2 TYR 10 2HD TYR 10 -3.602 -7.726 -1.809 77 HE1 TYR 10 1HE TYR 10 -8.015 -8.141 0.418 78 HE2 TYR 10 2HE TYR 10 -4.798 -9.898 -1.823 79 HH TYR 10 HH TYR 10 -6.687 -10.968 -0.123 80 H THR 11 H THR 11 -5.597 -4.503 -4.319 81 HA THR 11 HA THR 11 -7.207 -2.209 -3.687 82 HB THR 11 HB THR 11 -7.117 -4.359 -5.796 83 HG1 THR 11 1HG THR 11 -5.847 -2.801 -6.420 84 1HG2 THR 11 1HG2 THR 11 -8.968 -2.672 -6.832 85 2HG2 THR 11 2HG2 THR 11 -9.426 -2.621 -5.130 86 3HG2 THR 11 3HG2 THR 11 -9.388 -4.162 -5.986 87 H GLY 12 H GLY 12 -7.477 -5.608 -3.070 88 1HA GLY 12 1HA GLY 12 -9.144 -6.881 -2.005 89 2HA GLY 12 2HA GLY 12 -9.612 -5.371 -1.218 90 HA PRO 13 HA PRO 13 -12.746 -6.766 -4.464 91 1HB PRO 13 1HB PRO 13 -14.673 -7.776 -2.798 92 2HB PRO 13 2HB PRO 13 -13.381 -8.770 -3.498 93 1HG PRO 13 1HG PRO 13 -13.615 -7.589 -0.769 94 2HG PRO 13 2HG PRO 13 -12.994 -9.172 -1.262 95 1HD PRO 13 1HD PRO 13 -11.411 -7.025 -0.614 96 2HD PRO 13 2HD PRO 13 -10.905 -8.340 -1.700 97 H CYS 14 H CYS 14 -14.812 -6.317 -1.697 98 HA CYS 14 HA CYS 14 -16.390 -4.575 -1.323 99 1HB CYS 14 1HB CYS 14 -13.569 -3.583 -1.185 100 2HB CYS 14 2HB CYS 14 -14.866 -2.403 -1.001 101 H LYS 15 H LYS 15 -16.258 -1.850 -2.070 102 HA LYS 15 HA LYS 15 -16.039 -1.798 -5.031 103 1HB LYS 15 1HB LYS 15 -18.453 -2.226 -3.539 104 2HB LYS 15 2HB LYS 15 -18.550 -0.646 -4.317 105 1HG LYS 15 1HG LYS 15 -17.444 -2.780 -6.028 106 2HG LYS 15 2HG LYS 15 -19.127 -3.026 -5.556 107 1HD LYS 15 1HD LYS 15 -18.234 -0.328 -6.535 108 2HD LYS 15 2HD LYS 15 -18.580 -1.608 -7.698 109 1HE LYS 15 1HE LYS 15 -20.751 -1.781 -6.005 110 2HE LYS 15 2HE LYS 15 -20.441 -0.034 -6.042 111 1HZ LYS 15 1HZ LYS 15 -20.455 -0.058 -8.405 112 2HZ LYS 15 2HZ LYS 15 -21.841 -0.911 -7.918 113 3HZ LYS 15 3HZ LYS 15 -20.471 -1.753 -8.466 114 H ALA 16 H ALA 16 -14.495 -0.426 -3.046 115 HA ALA 16 HA ALA 16 -15.506 2.388 -3.297 116 1HB ALA 16 1HB ALA 16 -14.291 2.806 -1.244 117 2HB ALA 16 2HB ALA 16 -13.504 1.229 -1.335 118 3HB ALA 16 3HB ALA 16 -15.235 1.334 -1.009 119 H ARG 17 H ARG 17 -13.972 3.992 -3.966 120 HA ARG 17 HA ARG 17 -11.471 2.884 -5.207 121 1HB ARG 17 1HB ARG 17 -13.639 4.708 -6.114 122 2HB ARG 17 2HB ARG 17 -12.002 5.135 -6.618 123 1HG ARG 17 1HG ARG 17 -11.986 3.474 -8.143 124 2HG ARG 17 2HG ARG 17 -12.442 2.288 -6.919 125 1HD ARG 17 1HD ARG 17 -14.585 2.250 -7.679 126 2HD ARG 17 2HD ARG 17 -14.688 4.022 -7.626 127 HE ARG 17 HE ARG 17 -13.374 2.527 -9.876 128 1HH1 ARG 17 1HH1 ARG 17 -15.997 4.424 -8.910 129 2HH1 ARG 17 2HH1 ARG 17 -15.945 5.487 -10.277 130 1HH2 ARG 17 1HH2 ARG 17 -12.974 4.192 -11.507 131 2HH2 ARG 17 2HH2 ARG 17 -14.235 5.355 -11.748 132 H ILE 18 H ILE 18 -10.361 3.410 -3.140 133 HA ILE 18 HA ILE 18 -10.062 6.341 -2.614 134 HB ILE 18 HB ILE 18 -9.383 3.866 -0.989 135 1HG1 ILE 18 1HG1 ILE 18 -11.377 5.695 0.087 136 2HG1 ILE 18 2HG1 ILE 18 -11.858 5.077 -1.495 137 1HG2 ILE 18 1HG2 ILE 18 -8.988 5.430 0.855 138 2HG2 ILE 18 2HG2 ILE 18 -9.361 6.795 -0.199 139 3HG2 ILE 18 3HG2 ILE 18 -7.922 5.817 -0.497 140 1HD1 ILE 18 1HD1 ILE 18 -10.711 3.100 0.409 141 2HD1 ILE 18 2HD1 ILE 18 -12.036 2.917 -0.740 142 3HD1 ILE 18 3HD1 ILE 18 -12.312 3.729 0.802 143 H ILE 19 H ILE 19 -7.841 7.132 -2.246 144 HA ILE 19 HA ILE 19 -5.863 5.716 -3.969 145 HB ILE 19 HB ILE 19 -5.912 8.511 -2.780 146 1HG1 ILE 19 1HG1 ILE 19 -7.775 8.281 -4.291 147 2HG1 ILE 19 2HG1 ILE 19 -6.503 9.126 -5.173 148 1HG2 ILE 19 1HG2 ILE 19 -4.361 7.737 -5.217 149 2HG2 ILE 19 2HG2 ILE 19 -3.714 7.275 -3.643 150 3HG2 ILE 19 3HG2 ILE 19 -4.008 8.974 -4.011 151 1HD1 ILE 19 1HD1 ILE 19 -5.780 6.906 -6.113 152 2HD1 ILE 19 2HD1 ILE 19 -7.402 7.389 -6.611 153 3HD1 ILE 19 3HD1 ILE 19 -7.191 6.177 -5.346 154 H ARG 20 H ARG 20 -5.189 4.115 -2.376 155 HA ARG 20 HA ARG 20 -4.055 5.092 0.178 156 1HB ARG 20 1HB ARG 20 -4.720 2.463 -1.106 157 2HB ARG 20 2HB ARG 20 -3.588 2.489 0.248 158 1HG ARG 20 1HG ARG 20 -6.386 3.664 0.268 159 2HG ARG 20 2HG ARG 20 -5.910 2.146 1.028 160 1HD ARG 20 1HD ARG 20 -5.173 3.265 2.861 161 2HD ARG 20 2HD ARG 20 -4.128 4.288 1.855 162 HE ARG 20 HE ARG 20 -7.068 4.830 2.106 163 1HH1 ARG 20 1HH1 ARG 20 -5.367 6.524 0.311 164 2HH1 ARG 20 2HH1 ARG 20 -4.996 7.874 1.331 165 1HH2 ARG 20 1HH2 ARG 20 -5.904 6.250 4.258 166 2HH2 ARG 20 2HH2 ARG 20 -5.300 7.719 3.566 167 H TYR 21 H TYR 21 -1.825 4.031 0.746 168 HA TYR 21 HA TYR 21 -0.003 4.413 -1.603 169 1HB TYR 21 1HB TYR 21 0.103 5.099 1.321 170 2HB TYR 21 2HB TYR 21 1.606 4.905 0.421 171 HD1 TYR 21 1HD TYR 21 -1.325 6.980 0.982 172 HD2 TYR 21 2HD TYR 21 2.084 6.357 -1.551 173 HE1 TYR 21 1HE TYR 21 -1.592 9.271 0.065 174 HE2 TYR 21 2HE TYR 21 1.818 8.646 -2.474 175 HH TYR 21 HH TYR 21 0.567 10.958 -1.324 176 H PHE 22 H PHE 22 1.772 2.984 -1.818 177 HA PHE 22 HA PHE 22 2.114 0.783 0.116 178 1HB PHE 22 1HB PHE 22 1.404 -0.933 -1.307 179 2HB PHE 22 2HB PHE 22 0.243 0.329 -1.655 180 HD1 PHE 22 1HD PHE 22 0.365 1.630 -3.755 181 HD2 PHE 22 2HD PHE 22 3.101 -1.576 -2.919 182 HE1 PHE 22 1HE PHE 22 1.036 1.579 -6.142 183 HE2 PHE 22 2HE PHE 22 3.775 -1.624 -5.306 184 HZ PHE 22 HZ PHE 22 2.742 -0.047 -6.917 185 H TYR 23 H TYR 23 4.111 -0.343 -0.251 186 HA TYR 23 HA TYR 23 6.154 1.342 -1.552 187 1HB TYR 23 1HB TYR 23 6.466 0.336 0.666 188 2HB TYR 23 2HB TYR 23 6.283 -1.278 -0.019 189 HD1 TYR 23 1HD TYR 23 8.228 -2.437 -0.583 190 HD2 TYR 23 2HD TYR 23 8.280 1.857 -0.592 191 HE1 TYR 23 1HE TYR 23 10.642 -2.470 -1.146 192 HE2 TYR 23 2HE TYR 23 10.694 1.826 -1.157 193 HH TYR 23 HH TYR 23 12.652 0.018 -0.757 194 H ASN 24 H ASN 24 6.550 1.058 -3.723 195 HA ASN 24 HA ASN 24 5.909 -1.510 -5.045 196 1HB ASN 24 1HB ASN 24 5.331 0.709 -6.012 197 2HB ASN 24 2HB ASN 24 7.044 1.111 -6.077 198 1HD2 ASN 24 1HD2 ASN 24 5.846 1.171 -8.514 199 2HD2 ASN 24 2HD2 ASN 24 6.207 -0.211 -9.431 200 H ALA 25 H ALA 25 7.573 -2.936 -4.257 201 HA ALA 25 HA ALA 25 10.307 -2.416 -3.956 202 1HB ALA 25 1HB ALA 25 10.256 -4.966 -4.952 203 2HB ALA 25 2HB ALA 25 8.558 -4.735 -4.537 204 3HB ALA 25 3HB ALA 25 9.801 -4.550 -3.300 205 H LYS 26 H LYS 26 8.438 -2.592 -6.887 206 HA LYS 26 HA LYS 26 10.734 -3.013 -8.661 207 1HB LYS 26 1HB LYS 26 7.842 -2.926 -8.747 208 2HB LYS 26 2HB LYS 26 8.514 -1.934 -10.042 209 1HG LYS 26 1HG LYS 26 10.102 -3.994 -10.416 210 2HG LYS 26 2HG LYS 26 8.856 -4.879 -9.535 211 1HD LYS 26 1HD LYS 26 7.902 -3.066 -11.688 212 2HD LYS 26 2HD LYS 26 8.780 -4.501 -12.215 213 1HE LYS 26 1HE LYS 26 6.719 -4.923 -10.102 214 2HE LYS 26 2HE LYS 26 6.124 -4.546 -11.731 215 1HZ LYS 26 1HZ LYS 26 6.556 -6.944 -11.401 216 2HZ LYS 26 2HZ LYS 26 8.189 -6.595 -11.087 217 3HZ LYS 26 3HZ LYS 26 7.529 -6.278 -12.621 218 H ALA 27 H ALA 27 9.099 -0.306 -7.173 219 HA ALA 27 HA ALA 27 10.396 1.631 -9.027 220 1HB ALA 27 1HB ALA 27 8.587 2.893 -8.509 221 2HB ALA 27 2HB ALA 27 8.855 2.679 -6.779 222 3HB ALA 27 3HB ALA 27 7.953 1.467 -7.688 223 H GLY 28 H GLY 28 10.581 0.424 -5.727 224 1HA GLY 28 1HA GLY 28 12.582 0.593 -4.387 225 2HA GLY 28 2HA GLY 28 13.085 1.974 -5.362 226 H LEU 29 H LEU 29 10.005 2.717 -4.925 227 HA LEU 29 HA LEU 29 10.350 3.859 -2.184 228 1HB LEU 29 1HB LEU 29 9.457 5.991 -3.152 229 2HB LEU 29 2HB LEU 29 10.986 5.511 -3.889 230 HG LEU 29 HG LEU 29 8.849 4.250 -5.323 231 1HD1 LEU 29 1HD1 LEU 29 7.819 6.489 -4.196 232 2HD1 LEU 29 2HD1 LEU 29 7.335 5.899 -5.785 233 3HD1 LEU 29 3HD1 LEU 29 8.537 7.182 -5.650 234 1HD2 LEU 29 1HD2 LEU 29 10.443 6.609 -6.306 235 2HD2 LEU 29 2HD2 LEU 29 9.969 5.151 -7.178 236 3HD2 LEU 29 3HD2 LEU 29 11.251 5.076 -5.969 237 H CYS 30 H CYS 30 7.797 5.357 -2.694 238 HA CYS 30 HA CYS 30 5.922 3.028 -2.473 239 1HB CYS 30 1HB CYS 30 6.055 5.746 -1.149 240 2HB CYS 30 2HB CYS 30 4.604 4.747 -1.087 241 H GLN 31 H GLN 31 3.804 3.311 -3.386 242 HA GLN 31 HA GLN 31 3.417 5.648 -5.198 243 1HB GLN 31 1HB GLN 31 3.475 2.706 -5.899 244 2HB GLN 31 2HB GLN 31 2.672 3.889 -6.929 245 1HG GLN 31 1HG GLN 31 4.987 5.174 -6.650 246 2HG GLN 31 2HG GLN 31 5.587 3.544 -6.340 247 1HE2 GLN 31 1HE2 GLN 31 6.658 3.179 -8.355 248 2HE2 GLN 31 2HE2 GLN 31 5.849 3.162 -9.847 249 H THR 32 H THR 32 1.144 5.970 -5.719 250 HA THR 32 HA THR 32 -0.657 5.013 -3.608 251 HB THR 32 HB THR 32 -2.236 6.556 -4.912 252 HG1 THR 32 1HG THR 32 -1.448 6.684 -6.894 253 1HG2 THR 32 1HG2 THR 32 0.425 7.756 -4.103 254 2HG2 THR 32 2HG2 THR 32 -0.817 7.252 -2.957 255 3HG2 THR 32 3HG2 THR 32 -1.146 8.557 -4.097 256 H PHE 33 H PHE 33 -2.434 3.640 -3.928 257 HA PHE 33 HA PHE 33 -2.843 2.501 -6.660 258 1HB PHE 33 1HB PHE 33 -2.506 0.285 -5.882 259 2HB PHE 33 2HB PHE 33 -1.207 1.203 -5.131 260 HD1 PHE 33 1HD PHE 33 -1.316 1.805 -2.710 261 HD2 PHE 33 2HD PHE 33 -4.315 -0.647 -4.577 262 HE1 PHE 33 1HE PHE 33 -2.120 1.104 -0.485 263 HE2 PHE 33 2HE PHE 33 -5.116 -1.359 -2.340 264 HZ PHE 33 HZ PHE 33 -4.021 -0.484 -0.294 265 H VAL 34 H VAL 34 -4.915 1.244 -6.764 266 HA VAL 34 HA VAL 34 -7.068 2.680 -5.428 267 HB VAL 34 HB VAL 34 -7.115 0.114 -7.054 268 1HG1 VAL 34 1HG1 VAL 34 -9.382 1.254 -7.714 269 2HG1 VAL 34 2HG1 VAL 34 -9.162 2.157 -6.216 270 3HG1 VAL 34 3HG1 VAL 34 -9.270 0.397 -6.176 271 1HG2 VAL 34 1HG2 VAL 34 -5.884 1.965 -8.194 272 2HG2 VAL 34 2HG2 VAL 34 -7.302 2.995 -7.996 273 3HG2 VAL 34 3HG2 VAL 34 -7.392 1.556 -9.013 274 H TYR 35 H TYR 35 -7.887 2.168 -3.435 275 HA TYR 35 HA TYR 35 -7.161 -0.483 -2.247 276 1HB TYR 35 1HB TYR 35 -6.399 1.535 -1.103 277 2HB TYR 35 2HB TYR 35 -8.036 2.185 -1.093 278 HD1 TYR 35 1HD TYR 35 -7.201 -1.377 -0.508 279 HD2 TYR 35 2HD TYR 35 -8.298 2.365 1.293 280 HE1 TYR 35 1HE TYR 35 -7.643 -2.538 1.640 281 HE2 TYR 35 2HE TYR 35 -8.740 1.205 3.438 282 HH TYR 35 HH TYR 35 -7.682 -1.301 4.422 283 H GLY 36 H GLY 36 -8.825 -1.796 -1.320 284 1HA GLY 36 1HA GLY 36 -11.537 -1.275 -2.366 285 2HA GLY 36 2HA GLY 36 -10.983 -2.783 -1.642 286 H ALA 37 H ALA 37 -9.877 -0.517 0.434 287 HA ALA 37 HA ALA 37 -10.707 0.436 2.447 288 1HB ALA 37 1HB ALA 37 -12.612 0.972 0.718 289 2HB ALA 37 2HB ALA 37 -12.943 1.130 2.444 290 3HB ALA 37 3HB ALA 37 -13.484 -0.303 1.569 291 H CYS 38 H CYS 38 -10.792 -2.741 1.591 292 HA CYS 38 HA CYS 38 -11.325 -3.578 4.371 293 1HB CYS 38 1HB CYS 38 -13.129 -5.113 3.702 294 2HB CYS 38 2HB CYS 38 -13.548 -3.452 3.285 295 H ARG 39 H ARG 39 -10.831 -5.928 4.664 296 HA ARG 39 HA ARG 39 -9.305 -7.714 4.403 297 1HB ARG 39 1HB ARG 39 -11.105 -7.711 2.414 298 2HB ARG 39 2HB ARG 39 -9.651 -7.466 1.446 299 1HG ARG 39 1HG ARG 39 -8.670 -9.493 2.231 300 2HG ARG 39 2HG ARG 39 -9.842 -9.642 3.539 301 1HD ARG 39 1HD ARG 39 -11.468 -9.557 1.300 302 2HD ARG 39 2HD ARG 39 -10.067 -10.486 0.729 303 HE ARG 39 HE ARG 39 -11.998 -11.398 2.673 304 1HH1 ARG 39 1HH2 ARG 39 -9.110 -12.117 1.131 305 2HH1 ARG 39 2HH2 ARG 39 -8.531 -13.216 2.339 306 1HH2 ARG 39 1HH1 ARG 39 -11.052 -12.470 4.604 307 2HH2 ARG 39 2HH1 ARG 39 -9.630 -13.414 4.308 308 H ALA 40 H ALA 40 -8.172 -4.992 4.367 309 HA ALA 40 HA ALA 40 -6.088 -4.979 2.291 310 1HB ALA 40 1HB ALA 40 -5.668 -3.137 4.464 311 2HB ALA 40 2HB ALA 40 -7.383 -3.169 4.057 312 3HB ALA 40 3HB ALA 40 -6.190 -2.788 2.817 313 H LYS 41 H LYS 41 -3.765 -4.815 2.948 314 HA LYS 41 HA LYS 41 -3.155 -6.517 5.347 315 1HB LYS 41 1HB LYS 41 -1.576 -6.300 2.769 316 2HB LYS 41 2HB LYS 41 -1.427 -7.534 4.020 317 1HG LYS 41 1HG LYS 41 -3.648 -8.390 3.498 318 2HG LYS 41 2HG LYS 41 -3.915 -7.085 2.342 319 1HD LYS 41 1HD LYS 41 -3.045 -8.443 0.764 320 2HD LYS 41 2HD LYS 41 -1.484 -8.246 1.564 321 1HE LYS 41 1HE LYS 41 -2.587 -10.143 3.167 322 2HE LYS 41 2HE LYS 41 -3.363 -10.551 1.622 323 1HZ LYS 41 1HZ LYS 41 -1.229 -11.630 1.728 324 2HZ LYS 41 2HZ LYS 41 -0.454 -10.174 2.137 325 3HZ LYS 41 3HZ LYS 41 -1.128 -10.375 0.591 326 H ARG 42 H ARG 42 -0.326 -6.128 5.183 327 HA ARG 42 HA ARG 42 -0.104 -3.476 6.393 328 1HB ARG 42 1HB ARG 42 2.087 -5.421 5.610 329 2HB ARG 42 2HB ARG 42 2.149 -4.193 6.871 330 1HG ARG 42 1HG ARG 42 0.366 -5.381 8.108 331 2HG ARG 42 2HG ARG 42 0.322 -6.618 6.852 332 1HD ARG 42 1HD ARG 42 3.044 -6.173 7.822 333 2HD ARG 42 2HD ARG 42 1.944 -6.666 9.125 334 HE ARG 42 HE ARG 42 1.874 -8.156 6.540 335 1HH1 ARG 42 1HH1 ARG 42 4.269 -8.795 8.295 336 2HH1 ARG 42 2HH1 ARG 42 3.671 -10.138 9.213 337 1HH2 ARG 42 1HH2 ARG 42 0.348 -9.539 8.419 338 2HH2 ARG 42 2HH2 ARG 42 1.450 -10.559 9.283 339 H ASN 43 H ASN 43 -0.009 -4.628 3.205 340 HA ASN 43 HA ASN 43 1.895 -2.561 2.238 341 1HB ASN 43 1HB ASN 43 1.701 -5.027 1.466 342 2HB ASN 43 2HB ASN 43 0.248 -4.510 0.612 343 1HD2 ASN 43 1HD2 ASN 43 3.697 -3.490 0.996 344 2HD2 ASN 43 2HD2 ASN 43 3.881 -2.993 -0.617 345 H ASN 44 H ASN 44 -0.054 -1.160 3.322 346 HA ASN 44 HA ASN 44 -1.435 0.138 1.083 347 1HB ASN 44 1HB ASN 44 -2.923 -1.743 1.439 348 2HB ASN 44 2HB ASN 44 -2.867 -1.528 3.187 349 1HD2 ASN 44 1HD2 ASN 44 -5.337 -1.541 1.721 350 2HD2 ASN 44 2HD2 ASN 44 -6.035 0.012 1.852 351 H PHE 45 H PHE 45 -0.076 1.857 2.069 352 HA PHE 45 HA PHE 45 -0.773 2.708 4.821 353 1HB PHE 45 1HB PHE 45 1.165 3.935 2.840 354 2HB PHE 45 2HB PHE 45 1.195 4.065 4.600 355 HD1 PHE 45 1HD PHE 45 2.016 1.987 1.706 356 HD2 PHE 45 2HD PHE 45 1.784 2.085 5.995 357 HE1 PHE 45 1HE PHE 45 3.397 -0.072 1.827 358 HE2 PHE 45 2HE PHE 45 3.165 0.027 6.118 359 HZ PHE 45 HZ PHE 45 3.970 -1.061 4.034 360 H LYS 46 H LYS 46 -1.634 4.794 5.269 361 HA LYS 46 HA LYS 46 -3.444 5.853 3.223 362 1HB LYS 46 1HB LYS 46 -2.772 6.819 6.022 363 2HB LYS 46 2HB LYS 46 -4.222 7.216 5.096 364 1HG LYS 46 1HG LYS 46 -4.947 4.900 5.142 365 2HG LYS 46 2HG LYS 46 -3.430 4.397 5.889 366 1HD LYS 46 1HD LYS 46 -4.686 4.575 7.803 367 2HD LYS 46 2HD LYS 46 -4.199 6.266 7.676 368 1HE LYS 46 1HE LYS 46 -6.313 6.951 7.063 369 2HE LYS 46 2HE LYS 46 -6.632 5.466 6.143 370 1HZ LYS 46 1HZ LYS 46 -7.181 4.315 8.039 371 2HZ LYS 46 2HZ LYS 46 -7.743 5.859 8.471 372 3HZ LYS 46 3HZ LYS 46 -6.248 5.303 9.055 373 H SER 47 H SER 47 -0.223 6.441 4.187 374 HA SER 47 HA SER 47 -0.186 8.957 2.584 375 1HB SER 47 1HB SER 47 1.096 10.058 4.351 376 2HB SER 47 2HB SER 47 -0.418 9.462 5.021 377 HG SER 47 HG SER 47 0.683 7.646 5.798 378 H ALA 48 H ALA 48 1.954 9.432 1.742 379 HA ALA 48 HA ALA 48 3.498 7.065 1.055 380 1HB ALA 48 1HB ALA 48 4.685 9.731 0.628 381 2HB ALA 48 2HB ALA 48 3.036 9.577 0.022 382 3HB ALA 48 3HB ALA 48 4.291 8.479 -0.549 383 H GLU 49 H GLU 49 3.670 9.490 3.551 384 HA GLU 49 HA GLU 49 6.476 9.234 4.195 385 1HB GLU 49 1HB GLU 49 4.931 11.119 4.790 386 2HB GLU 49 2HB GLU 49 4.113 10.041 5.921 387 1HG GLU 49 1HG GLU 49 5.628 10.935 7.393 388 2HG GLU 49 2HG GLU 49 6.668 9.678 6.723 389 H ASP 50 H ASP 50 3.536 7.568 5.293 390 HA ASP 50 HA ASP 50 4.922 6.062 7.383 391 1HB ASP 50 1HB ASP 50 2.289 6.699 6.615 392 2HB ASP 50 2HB ASP 50 2.409 4.948 6.438 393 H CYS 51 H CYS 51 3.909 5.514 4.034 394 HA CYS 51 HA CYS 51 4.511 2.690 3.939 395 1HB CYS 51 1HB CYS 51 3.085 3.725 2.290 396 2HB CYS 51 2HB CYS 51 4.321 4.917 1.884 397 H MET 52 H MET 52 6.340 5.633 3.076 398 HA MET 52 HA MET 52 8.708 4.330 2.131 399 1HB MET 52 1HB MET 52 8.130 6.666 1.690 400 2HB MET 52 2HB MET 52 8.210 7.036 3.412 401 1HG MET 52 1HG MET 52 10.276 7.676 2.093 402 2HG MET 52 2HG MET 52 10.581 6.614 3.467 403 1HE MET 52 1HE MET 52 10.606 5.598 -0.997 404 2HE MET 52 2HE MET 52 11.015 7.162 -0.298 405 3HE MET 52 3HE MET 52 9.371 6.544 -0.155 406 H ARG 53 H ARG 53 8.239 6.019 5.271 407 HA ARG 53 HA ARG 53 10.616 5.092 6.504 408 1HB ARG 53 1HB ARG 53 9.529 5.835 8.545 409 2HB ARG 53 2HB ARG 53 9.037 6.917 7.242 410 1HG ARG 53 1HG ARG 53 6.898 6.444 7.780 411 2HG ARG 53 2HG ARG 53 7.180 4.809 7.181 412 1HD ARG 53 1HD ARG 53 6.561 4.288 9.357 413 2HD ARG 53 2HD ARG 53 8.287 4.578 9.646 414 HE ARG 53 HE ARG 53 7.575 7.003 10.113 415 1HH1 ARG 53 1HH2 ARG 53 6.588 4.631 12.003 416 2HH1 ARG 53 2HH2 ARG 53 5.043 5.280 12.446 417 1HH2 ARG 53 1HH1 ARG 53 5.068 7.723 9.987 418 2HH2 ARG 53 2HH1 ARG 53 4.182 7.028 11.303 419 H THR 54 H THR 54 7.672 3.403 5.805 420 HA THR 54 HA THR 54 8.129 1.302 7.829 421 HB THR 54 HB THR 54 6.104 1.908 5.673 422 HG1 THR 54 1HG THR 54 4.893 1.475 7.833 423 1HG2 THR 54 1HG2 THR 54 5.105 -0.270 7.062 424 2HG2 THR 54 2HG2 THR 54 6.794 -0.704 6.797 425 3HG2 THR 54 3HG2 THR 54 5.759 -0.309 5.424 426 H CYS 55 H CYS 55 8.175 1.597 4.266 427 HA CYS 55 HA CYS 55 9.452 -1.086 4.072 428 1HB CYS 55 1HB CYS 55 8.405 0.824 1.958 429 2HB CYS 55 2HB CYS 55 8.843 -0.868 1.710 430 H GLY 56 H GLY 56 9.957 2.250 2.839 431 1HA GLY 56 1HA GLY 56 11.921 3.258 2.010 432 2HA GLY 56 2HA GLY 56 12.668 2.500 3.418 433 H GLY 57 H GLY 57 14.583 2.263 1.976 434 1HA GLY 57 1HA GLY 57 15.878 0.418 1.068 435 2HA GLY 57 2HA GLY 57 14.385 -0.274 0.433 436 H ALA 58 H ALA 58 16.236 2.784 0.119 437 HA ALA 58 HA ALA 58 15.952 2.524 -2.850 438 1HB ALA 58 1HB ALA 58 15.800 5.246 -1.712 439 2HB ALA 58 2HB ALA 58 14.450 4.199 -1.274 440 3HB ALA 58 3HB ALA 58 14.818 4.501 -2.973 Start of MODEL 12 1 1H ARG 1 1H ARG 1 14.322 -4.462 4.638 2 2H ARG 1 2H ARG 1 14.215 -3.268 5.840 3 3H ARG 1 3H ARG 1 14.601 -2.837 4.244 4 HA ARG 1 HA ARG 1 12.173 -2.515 5.135 5 1HB ARG 1 1HB ARG 1 11.511 -2.863 2.733 6 2HB ARG 1 2HB ARG 1 13.019 -1.964 2.915 7 1HG ARG 1 1HG ARG 1 14.332 -3.886 2.387 8 2HG ARG 1 2HG ARG 1 12.949 -4.967 2.558 9 1HD ARG 1 1HD ARG 1 13.089 -4.729 0.220 10 2HD ARG 1 2HD ARG 1 11.931 -3.448 0.634 11 HE ARG 1 HE ARG 1 13.855 -1.857 0.600 12 1HH1 ARG 1 1HH2 ARG 1 15.265 -4.853 0.336 13 2HH1 ARG 1 2HH2 ARG 1 16.206 -4.503 -1.075 14 1HH2 ARG 1 1HH1 ARG 1 14.659 -1.460 -1.678 15 2HH2 ARG 1 2HH1 ARG 1 15.866 -2.581 -2.211 16 HA PRO 2 HA PRO 2 10.132 -6.316 6.015 17 1HB PRO 2 1HB PRO 2 7.571 -5.617 5.427 18 2HB PRO 2 2HB PRO 2 8.412 -5.059 6.883 19 1HG PRO 2 1HG PRO 2 7.899 -3.644 4.305 20 2HG PRO 2 2HG PRO 2 7.869 -3.014 5.958 21 1HD PRO 2 1HD PRO 2 9.947 -2.653 4.209 22 2HD PRO 2 2HD PRO 2 10.131 -2.653 5.978 23 H ASP 3 H ASP 3 8.629 -7.942 4.971 24 HA ASP 3 HA ASP 3 9.301 -8.188 2.098 25 1HB ASP 3 1HB ASP 3 9.573 -9.980 3.921 26 2HB ASP 3 2HB ASP 3 7.814 -10.115 3.903 27 H PHE 4 H PHE 4 6.580 -7.463 4.192 28 HA PHE 4 HA PHE 4 4.507 -8.153 2.291 29 1HB PHE 4 1HB PHE 4 3.067 -6.771 3.756 30 2HB PHE 4 2HB PHE 4 4.057 -7.896 4.671 31 HD1 PHE 4 1HD PHE 4 5.408 -7.160 6.406 32 HD2 PHE 4 2HD PHE 4 3.987 -4.296 3.523 33 HE1 PHE 4 1HE PHE 4 6.304 -5.312 7.786 34 HE2 PHE 4 2HE PHE 4 4.899 -2.468 4.908 35 HZ PHE 4 HZ PHE 4 6.047 -2.967 7.035 36 H CYS 5 H CYS 5 6.668 -5.451 2.530 37 HA CYS 5 HA CYS 5 5.030 -3.638 0.909 38 1HB CYS 5 1HB CYS 5 7.554 -3.679 2.388 39 2HB CYS 5 2HB CYS 5 7.674 -2.776 0.878 40 H LEU 6 H LEU 6 7.267 -6.217 0.308 41 HA LEU 6 HA LEU 6 8.160 -5.351 -2.320 42 1HB LEU 6 1HB LEU 6 8.021 -8.150 -1.158 43 2HB LEU 6 2HB LEU 6 9.146 -7.554 -2.379 44 HG LEU 6 HG LEU 6 9.012 -6.749 0.540 45 1HD1 LEU 6 1HD1 LEU 6 10.218 -8.800 0.251 46 2HD1 LEU 6 2HD1 LEU 6 11.431 -7.529 0.407 47 3HD1 LEU 6 3HD1 LEU 6 11.043 -8.187 -1.182 48 1HD2 LEU 6 1HD2 LEU 6 9.442 -4.754 -0.779 49 2HD2 LEU 6 2HD2 LEU 6 10.637 -5.610 -1.754 50 3HD2 LEU 6 3HD2 LEU 6 10.961 -5.276 -0.053 51 H GLU 7 H GLU 7 5.358 -7.038 -1.076 52 HA GLU 7 HA GLU 7 4.558 -8.189 -3.641 53 1HB GLU 7 1HB GLU 7 3.046 -7.698 -1.054 54 2HB GLU 7 2HB GLU 7 2.544 -8.784 -2.352 55 1HG GLU 7 1HG GLU 7 4.011 -10.403 -1.715 56 2HG GLU 7 2HG GLU 7 5.295 -9.237 -1.390 57 HA PRO 8 HA PRO 8 2.375 -4.783 -5.326 58 1HB PRO 8 1HB PRO 8 0.171 -6.025 -6.399 59 2HB PRO 8 2HB PRO 8 1.795 -6.131 -7.110 60 1HG PRO 8 1HG PRO 8 0.337 -8.074 -5.369 61 2HG PRO 8 2HG PRO 8 1.352 -8.376 -6.789 62 1HD PRO 8 1HD PRO 8 2.215 -8.716 -4.228 63 2HD PRO 8 2HD PRO 8 3.297 -8.267 -5.567 64 HA PRO 9 HA PRO 9 -0.740 -3.428 -2.558 65 1HB PRO 9 1HB PRO 9 -2.420 -1.989 -4.175 66 2HB PRO 9 2HB PRO 9 -0.811 -1.422 -3.687 67 1HG PRO 9 1HG PRO 9 -1.706 -2.679 -6.240 68 2HG PRO 9 2HG PRO 9 -0.559 -1.354 -5.974 69 1HD PRO 9 1HD PRO 9 0.179 -3.936 -6.504 70 2HD PRO 9 2HD PRO 9 1.184 -2.790 -5.589 71 H TYR 10 H TYR 10 -2.979 -3.787 -1.894 72 HA TYR 10 HA TYR 10 -4.389 -5.916 -3.492 73 1HB TYR 10 1HB TYR 10 -3.224 -6.553 -1.317 74 2HB TYR 10 2HB TYR 10 -4.392 -5.521 -0.488 75 HD1 TYR 10 1HD TYR 10 -6.404 -6.469 0.224 76 HD2 TYR 10 2HD TYR 10 -4.276 -8.266 -3.044 77 HE1 TYR 10 1HE TYR 10 -8.079 -8.294 0.137 78 HE2 TYR 10 2HE TYR 10 -5.950 -10.091 -3.131 79 HH TYR 10 HH TYR 10 -8.446 -10.321 -2.433 80 H THR 11 H THR 11 -5.827 -4.467 -4.528 81 HA THR 11 HA THR 11 -7.298 -2.365 -3.321 82 HB THR 11 HB THR 11 -7.630 -4.252 -5.639 83 HG1 THR 11 1HG THR 11 -6.452 -2.047 -5.337 84 1HG2 THR 11 1HG2 THR 11 -9.692 -2.876 -6.265 85 2HG2 THR 11 2HG2 THR 11 -9.736 -2.361 -4.579 86 3HG2 THR 11 3HG2 THR 11 -9.916 -4.069 -4.986 87 H GLY 12 H GLY 12 -7.550 -5.824 -3.065 88 1HA GLY 12 1HA GLY 12 -8.940 -7.176 -1.729 89 2HA GLY 12 2HA GLY 12 -9.316 -5.718 -0.811 90 HA PRO 13 HA PRO 13 -13.057 -7.173 -3.220 91 1HB PRO 13 1HB PRO 13 -14.655 -7.592 -1.028 92 2HB PRO 13 2HB PRO 13 -13.609 -8.845 -1.722 93 1HG PRO 13 1HG PRO 13 -13.183 -7.098 0.658 94 2HG PRO 13 2HG PRO 13 -12.795 -8.810 0.434 95 1HD PRO 13 1HD PRO 13 -10.956 -6.794 0.269 96 2HD PRO 13 2HD PRO 13 -10.801 -8.343 -0.592 97 H CYS 14 H CYS 14 -15.508 -6.292 -1.968 98 HA CYS 14 HA CYS 14 -16.785 -4.334 -1.619 99 1HB CYS 14 1HB CYS 14 -14.132 -3.082 -0.858 100 2HB CYS 14 2HB CYS 14 -15.736 -2.657 -0.264 101 H LYS 15 H LYS 15 -17.252 -2.319 -2.723 102 HA LYS 15 HA LYS 15 -15.730 -2.017 -5.265 103 1HB LYS 15 1HB LYS 15 -18.478 -1.348 -4.236 104 2HB LYS 15 2HB LYS 15 -17.866 -0.545 -5.682 105 1HG LYS 15 1HG LYS 15 -18.708 -2.377 -6.754 106 2HG LYS 15 2HG LYS 15 -17.216 -3.147 -6.214 107 1HD LYS 15 1HD LYS 15 -18.292 -4.136 -4.334 108 2HD LYS 15 2HD LYS 15 -19.707 -3.098 -4.503 109 1HE LYS 15 1HE LYS 15 -19.263 -4.575 -6.961 110 2HE LYS 15 2HE LYS 15 -19.382 -5.685 -5.580 111 1HZ LYS 15 1HZ LYS 15 -21.273 -3.506 -6.315 112 2HZ LYS 15 2HZ LYS 15 -21.346 -4.366 -4.853 113 3HZ LYS 15 3HZ LYS 15 -21.588 -5.173 -6.329 114 H ALA 16 H ALA 16 -15.479 -0.758 -2.257 115 HA ALA 16 HA ALA 16 -15.637 2.032 -2.393 116 1HB ALA 16 1HB ALA 16 -13.210 0.835 -1.159 117 2HB ALA 16 2HB ALA 16 -14.755 0.162 -0.638 118 3HB ALA 16 3HB ALA 16 -14.433 1.884 -0.440 119 H ARG 17 H ARG 17 -13.703 3.557 -2.613 120 HA ARG 17 HA ARG 17 -11.615 2.692 -4.528 121 1HB ARG 17 1HB ARG 17 -12.362 4.628 -6.040 122 2HB ARG 17 2HB ARG 17 -13.419 3.215 -6.013 123 1HG ARG 17 1HG ARG 17 -14.120 5.058 -3.888 124 2HG ARG 17 2HG ARG 17 -14.143 5.876 -5.451 125 1HD ARG 17 1HD ARG 17 -15.543 3.235 -4.881 126 2HD ARG 17 2HD ARG 17 -16.347 4.817 -4.910 127 HE ARG 17 HE ARG 17 -15.081 3.464 -7.254 128 1HH1 ARG 17 1HH2 ARG 17 -17.720 5.188 -6.116 129 2HH1 ARG 17 2HH2 ARG 17 -17.870 6.223 -7.496 130 1HH2 ARG 17 1HH1 ARG 17 -14.898 5.169 -8.943 131 2HH2 ARG 17 2HH1 ARG 17 -16.278 6.202 -9.103 132 H ILE 18 H ILE 18 -9.970 3.370 -3.155 133 HA ILE 18 HA ILE 18 -9.898 6.292 -2.498 134 HB ILE 18 HB ILE 18 -9.289 3.875 -0.774 135 1HG1 ILE 18 1HG1 ILE 18 -11.277 6.158 -0.572 136 2HG1 ILE 18 2HG1 ILE 18 -11.647 4.456 -0.859 137 1HG2 ILE 18 1HG2 ILE 18 -7.945 6.339 -0.747 138 2HG2 ILE 18 2HG2 ILE 18 -7.950 5.130 0.538 139 3HG2 ILE 18 3HG2 ILE 18 -9.121 6.448 0.563 140 1HD1 ILE 18 1HD1 ILE 18 -11.393 5.778 1.641 141 2HD1 ILE 18 2HD1 ILE 18 -10.013 4.688 1.497 142 3HD1 ILE 18 3HD1 ILE 18 -11.653 4.057 1.356 143 H ILE 19 H ILE 19 -7.811 7.214 -2.655 144 HA ILE 19 HA ILE 19 -5.827 5.603 -4.144 145 HB ILE 19 HB ILE 19 -6.000 8.528 -3.350 146 1HG1 ILE 19 1HG1 ILE 19 -7.762 7.697 -4.922 147 2HG1 ILE 19 2HG1 ILE 19 -6.684 8.872 -5.674 148 1HG2 ILE 19 1HG2 ILE 19 -3.750 7.092 -4.163 149 2HG2 ILE 19 2HG2 ILE 19 -3.948 8.842 -4.242 150 3HG2 ILE 19 3HG2 ILE 19 -4.335 7.848 -5.645 151 1HD1 ILE 19 1HD1 ILE 19 -6.354 5.864 -5.896 152 2HD1 ILE 19 2HD1 ILE 19 -5.420 7.091 -6.750 153 3HD1 ILE 19 3HD1 ILE 19 -7.131 6.869 -7.117 154 H ARG 20 H ARG 20 -5.164 4.222 -2.349 155 HA ARG 20 HA ARG 20 -3.860 5.499 -0.016 156 1HB ARG 20 1HB ARG 20 -4.540 2.692 -0.906 157 2HB ARG 20 2HB ARG 20 -3.524 2.984 0.506 158 1HG ARG 20 1HG ARG 20 -6.071 4.524 0.326 159 2HG ARG 20 2HG ARG 20 -6.201 2.801 0.678 160 1HD ARG 20 1HD ARG 20 -5.017 3.001 2.701 161 2HD ARG 20 2HD ARG 20 -4.238 4.514 2.205 162 HE ARG 20 HE ARG 20 -6.893 4.258 3.387 163 1HH1 ARG 20 1HH1 ARG 20 -4.578 6.296 1.922 164 2HH1 ARG 20 2HH1 ARG 20 -5.658 7.638 1.749 165 1HH2 ARG 20 1HH2 ARG 20 -8.439 5.898 2.866 166 2HH2 ARG 20 2HH2 ARG 20 -7.839 7.415 2.286 167 H TYR 21 H TYR 21 -1.636 4.340 0.559 168 HA TYR 21 HA TYR 21 0.045 4.430 -1.920 169 1HB TYR 21 1HB TYR 21 0.495 5.195 0.968 170 2HB TYR 21 2HB TYR 21 1.830 5.044 -0.176 171 HD1 TYR 21 1HD TYR 21 -1.256 6.905 0.643 172 HD2 TYR 21 2HD TYR 21 2.156 6.649 -1.957 173 HE1 TYR 21 1HE TYR 21 -1.736 9.183 -0.210 174 HE2 TYR 21 2HE TYR 21 1.675 8.927 -2.810 175 HH TYR 21 HH TYR 21 0.489 10.977 -2.005 176 H PHE 22 H PHE 22 1.812 2.954 -2.076 177 HA PHE 22 HA PHE 22 2.078 0.803 -0.076 178 1HB PHE 22 1HB PHE 22 1.329 -0.935 -1.475 179 2HB PHE 22 2HB PHE 22 0.173 0.345 -1.777 180 HD1 PHE 22 1HD PHE 22 2.918 -1.628 -3.156 181 HD2 PHE 22 2HD PHE 22 0.259 1.671 -3.869 182 HE1 PHE 22 1HE PHE 22 3.487 -1.692 -5.568 183 HE2 PHE 22 2HE PHE 22 0.833 1.609 -6.282 184 HZ PHE 22 HZ PHE 22 2.447 -0.074 -7.130 185 H TYR 23 H TYR 23 4.042 -0.409 -0.414 186 HA TYR 23 HA TYR 23 6.143 1.170 -1.745 187 1HB TYR 23 1HB TYR 23 6.430 0.149 0.477 188 2HB TYR 23 2HB TYR 23 6.179 -1.453 -0.215 189 HD1 TYR 23 1HD TYR 23 7.987 -2.649 -1.152 190 HD2 TYR 23 2HD TYR 23 8.374 1.569 -0.449 191 HE1 TYR 23 1HE TYR 23 10.388 -2.770 -1.750 192 HE2 TYR 23 2HE TYR 23 10.779 1.448 -1.044 193 HH TYR 23 HH TYR 23 12.179 -0.378 -2.656 194 H ASN 24 H ASN 24 6.212 0.899 -3.987 195 HA ASN 24 HA ASN 24 5.628 -1.676 -5.266 196 1HB ASN 24 1HB ASN 24 5.130 0.568 -6.243 197 2HB ASN 24 2HB ASN 24 6.862 0.883 -6.336 198 1HD2 ASN 24 1HD2 ASN 24 5.082 0.722 -8.660 199 2HD2 ASN 24 2HD2 ASN 24 5.596 -0.601 -9.593 200 H ALA 25 H ALA 25 7.238 -3.190 -4.610 201 HA ALA 25 HA ALA 25 9.981 -2.755 -4.225 202 1HB ALA 25 1HB ALA 25 9.616 -5.242 -5.564 203 2HB ALA 25 2HB ALA 25 8.139 -4.924 -4.653 204 3HB ALA 25 3HB ALA 25 9.697 -4.962 -3.825 205 H LYS 26 H LYS 26 8.144 -2.776 -7.178 206 HA LYS 26 HA LYS 26 10.399 -3.165 -8.989 207 1HB LYS 26 1HB LYS 26 7.679 -3.367 -9.116 208 2HB LYS 26 2HB LYS 26 7.925 -1.801 -9.887 209 1HG LYS 26 1HG LYS 26 9.719 -2.958 -11.307 210 2HG LYS 26 2HG LYS 26 9.064 -4.480 -10.703 211 1HD LYS 26 1HD LYS 26 7.148 -2.465 -11.806 212 2HD LYS 26 2HD LYS 26 8.144 -3.370 -12.947 213 1HE LYS 26 1HE LYS 26 6.519 -4.973 -12.764 214 2HE LYS 26 2HE LYS 26 7.271 -5.343 -11.200 215 1HZ LYS 26 1HZ LYS 26 5.867 -3.609 -10.206 216 2HZ LYS 26 2HZ LYS 26 4.925 -4.835 -10.912 217 3HZ LYS 26 3HZ LYS 26 5.119 -3.345 -11.705 218 H ALA 27 H ALA 27 8.908 -0.451 -7.353 219 HA ALA 27 HA ALA 27 10.334 1.492 -9.108 220 1HB ALA 27 1HB ALA 27 7.836 1.502 -8.206 221 2HB ALA 27 2HB ALA 27 8.740 3.011 -8.344 222 3HB ALA 27 3HB ALA 27 8.588 2.213 -6.778 223 H GLY 28 H GLY 28 10.677 -0.086 -6.056 224 1HA GLY 28 1HA GLY 28 12.483 0.107 -4.527 225 2HA GLY 28 2HA GLY 28 13.114 1.439 -5.499 226 H LEU 29 H LEU 29 9.900 2.061 -4.993 227 HA LEU 29 HA LEU 29 10.260 3.357 -2.350 228 1HB LEU 29 1HB LEU 29 9.373 5.479 -3.441 229 2HB LEU 29 2HB LEU 29 10.988 5.009 -3.959 230 HG LEU 29 HG LEU 29 9.459 3.652 -5.770 231 1HD1 LEU 29 1HD1 LEU 29 7.329 4.458 -5.291 232 2HD1 LEU 29 2HD1 LEU 29 7.861 5.595 -6.529 233 3HD1 LEU 29 3HD1 LEU 29 7.925 6.052 -4.828 234 1HD2 LEU 29 1HD2 LEU 29 10.590 4.975 -7.230 235 2HD2 LEU 29 2HD2 LEU 29 11.321 5.682 -5.790 236 3HD2 LEU 29 3HD2 LEU 29 9.924 6.454 -6.540 237 H CYS 30 H CYS 30 7.750 4.898 -2.929 238 HA CYS 30 HA CYS 30 5.818 2.609 -2.890 239 1HB CYS 30 1HB CYS 30 5.860 5.219 -1.344 240 2HB CYS 30 2HB CYS 30 4.547 4.046 -1.278 241 H GLN 31 H GLN 31 3.623 3.205 -3.604 242 HA GLN 31 HA GLN 31 3.423 5.650 -5.290 243 1HB GLN 31 1HB GLN 31 3.080 2.769 -6.180 244 2HB GLN 31 2HB GLN 31 2.564 4.155 -7.144 245 1HG GLN 31 1HG GLN 31 4.878 5.009 -7.153 246 2HG GLN 31 2HG GLN 31 5.393 3.633 -6.175 247 1HE2 GLN 31 1HE2 GLN 31 5.691 4.614 -9.228 248 2HE2 GLN 31 2HE2 GLN 31 5.516 3.152 -10.071 249 H THR 32 H THR 32 0.977 5.415 -6.327 250 HA THR 32 HA THR 32 -0.757 4.962 -3.944 251 HB THR 32 HB THR 32 -2.329 6.394 -5.343 252 HG1 THR 32 1HG THR 32 -0.154 7.160 -6.875 253 1HG2 THR 32 1HG2 THR 32 -0.758 8.459 -5.145 254 2HG2 THR 32 2HG2 THR 32 0.389 7.319 -4.441 255 3HG2 THR 32 3HG2 THR 32 -1.179 7.578 -3.675 256 H PHE 33 H PHE 33 -2.559 3.572 -4.079 257 HA PHE 33 HA PHE 33 -3.113 2.245 -6.692 258 1HB PHE 33 1HB PHE 33 -2.796 0.072 -5.806 259 2HB PHE 33 2HB PHE 33 -1.427 0.991 -5.199 260 HD1 PHE 33 1HD PHE 33 -4.465 -0.820 -4.324 261 HD2 PHE 33 2HD PHE 33 -1.414 1.806 -2.806 262 HE1 PHE 33 1HE PHE 33 -5.106 -1.404 -2.002 263 HE2 PHE 33 2HE PHE 33 -2.065 1.233 -0.499 264 HZ PHE 33 HZ PHE 33 -3.908 -0.379 -0.088 265 H VAL 34 H VAL 34 -5.227 1.129 -6.674 266 HA VAL 34 HA VAL 34 -7.245 2.686 -5.273 267 HB VAL 34 HB VAL 34 -7.315 0.178 -6.979 268 1HG1 VAL 34 1HG1 VAL 34 -9.734 0.530 -7.131 269 2HG1 VAL 34 2HG1 VAL 34 -9.617 1.932 -6.067 270 3HG1 VAL 34 3HG1 VAL 34 -9.270 0.321 -5.443 271 1HG2 VAL 34 1HG2 VAL 34 -6.627 2.569 -7.853 272 2HG2 VAL 34 2HG2 VAL 34 -8.358 2.890 -7.749 273 3HG2 VAL 34 3HG2 VAL 34 -7.763 1.592 -8.784 274 H TYR 35 H TYR 35 -7.908 2.298 -3.207 275 HA TYR 35 HA TYR 35 -7.319 -0.361 -1.985 276 1HB TYR 35 1HB TYR 35 -6.458 1.667 -0.917 277 2HB TYR 35 2HB TYR 35 -8.076 2.363 -0.877 278 HD1 TYR 35 1HD TYR 35 -7.331 -1.205 -0.273 279 HD2 TYR 35 2HD TYR 35 -8.262 2.588 1.518 280 HE1 TYR 35 1HE TYR 35 -7.750 -2.331 1.896 281 HE2 TYR 35 2HE TYR 35 -8.680 1.462 3.690 282 HH TYR 35 HH TYR 35 -9.111 -0.612 4.634 283 H GLY 36 H GLY 36 -9.013 -1.664 -1.198 284 1HA GLY 36 1HA GLY 36 -11.730 -0.949 -2.099 285 2HA GLY 36 2HA GLY 36 -11.226 -2.523 -1.488 286 H ALA 37 H ALA 37 -9.997 -0.322 0.660 287 HA ALA 37 HA ALA 37 -10.762 0.534 2.739 288 1HB ALA 37 1HB ALA 37 -13.006 1.213 2.836 289 2HB ALA 37 2HB ALA 37 -13.567 -0.180 1.910 290 3HB ALA 37 3HB ALA 37 -12.724 1.136 1.097 291 H CYS 38 H CYS 38 -11.075 -2.637 1.685 292 HA CYS 38 HA CYS 38 -11.601 -3.546 4.484 293 1HB CYS 38 1HB CYS 38 -13.069 -5.335 3.490 294 2HB CYS 38 2HB CYS 38 -13.712 -3.706 3.305 295 H ARG 39 H ARG 39 -10.878 -5.813 4.834 296 HA ARG 39 HA ARG 39 -9.056 -7.333 4.785 297 1HB ARG 39 1HB ARG 39 -10.067 -7.203 1.929 298 2HB ARG 39 2HB ARG 39 -9.063 -8.507 2.567 299 1HG ARG 39 1HG ARG 39 -11.299 -7.991 4.336 300 2HG ARG 39 2HG ARG 39 -11.877 -8.301 2.699 301 1HD ARG 39 1HD ARG 39 -11.539 -10.514 3.074 302 2HD ARG 39 2HD ARG 39 -9.800 -10.183 3.201 303 HE ARG 39 HE ARG 39 -11.417 -9.567 5.599 304 1HH1 ARG 39 1HH1 ARG 39 -11.428 -12.550 4.979 305 2HH1 ARG 39 2HH1 ARG 39 -10.067 -13.091 5.904 306 1HH2 ARG 39 1HH2 ARG 39 -8.765 -9.907 6.338 307 2HH2 ARG 39 2HH2 ARG 39 -8.560 -11.594 6.675 308 H ALA 40 H ALA 40 -8.057 -4.692 4.691 309 HA ALA 40 HA ALA 40 -6.259 -4.276 2.447 310 1HB ALA 40 1HB ALA 40 -6.749 -3.128 5.178 311 2HB ALA 40 2HB ALA 40 -6.877 -2.349 3.603 312 3HB ALA 40 3HB ALA 40 -5.292 -2.661 4.302 313 H LYS 41 H LYS 41 -4.009 -4.680 2.367 314 HA LYS 41 HA LYS 41 -3.010 -6.749 4.257 315 1HB LYS 41 1HB LYS 41 -2.063 -5.620 1.608 316 2HB LYS 41 2HB LYS 41 -1.166 -6.837 2.511 317 1HG LYS 41 1HG LYS 41 -3.169 -8.315 2.449 318 2HG LYS 41 2HG LYS 41 -3.996 -7.112 1.458 319 1HD LYS 41 1HD LYS 41 -3.114 -8.581 -0.150 320 2HD LYS 41 2HD LYS 41 -1.892 -7.309 -0.083 321 1HE LYS 41 1HE LYS 41 -0.634 -8.715 1.602 322 2HE LYS 41 2HE LYS 41 -1.795 -10.021 1.289 323 1HZ LYS 41 1HZ LYS 41 0.422 -9.607 -0.166 324 2HZ LYS 41 2HZ LYS 41 -0.702 -8.699 -1.060 325 3HZ LYS 41 3HZ LYS 41 -0.974 -10.351 -0.775 326 H ARG 42 H ARG 42 -0.236 -6.152 3.987 327 HA ARG 42 HA ARG 42 -0.022 -3.921 5.907 328 1HB ARG 42 1HB ARG 42 2.307 -5.408 4.721 329 2HB ARG 42 2HB ARG 42 2.084 -4.823 6.367 330 1HG ARG 42 1HG ARG 42 0.073 -6.559 6.351 331 2HG ARG 42 2HG ARG 42 1.041 -7.318 5.086 332 1HD ARG 42 1HD ARG 42 3.022 -7.042 6.785 333 2HD ARG 42 2HD ARG 42 1.728 -6.875 7.990 334 HE ARG 42 HE ARG 42 2.468 -9.331 6.658 335 1HH1 ARG 42 1HH2 ARG 42 0.449 -8.137 8.964 336 2HH1 ARG 42 2HH2 ARG 42 -0.894 -9.176 8.629 337 1HH2 ARG 42 1HH1 ARG 42 0.446 -10.392 5.667 338 2HH2 ARG 42 2HH1 ARG 42 -0.894 -10.460 6.763 339 H ASN 43 H ASN 43 0.486 -4.485 2.497 340 HA ASN 43 HA ASN 43 2.166 -2.072 2.179 341 1HB ASN 43 1HB ASN 43 2.244 -4.370 0.910 342 2HB ASN 43 2HB ASN 43 0.928 -3.683 -0.046 343 1HD2 ASN 43 1HD2 ASN 43 3.033 -4.031 -1.634 344 2HD2 ASN 43 2HD2 ASN 43 3.952 -2.621 -1.852 345 H ASN 44 H ASN 44 -0.123 -1.241 3.303 346 HA ASN 44 HA ASN 44 -1.479 0.271 1.109 347 1HB ASN 44 1HB ASN 44 -2.935 -1.621 1.503 348 2HB ASN 44 2HB ASN 44 -2.737 -1.492 3.248 349 1HD2 ASN 44 1HD2 ASN 44 -5.208 -1.245 1.362 350 2HD2 ASN 44 2HD2 ASN 44 -5.970 0.187 1.901 351 H PHE 45 H PHE 45 -0.107 1.995 2.023 352 HA PHE 45 HA PHE 45 -0.689 2.789 4.829 353 1HB PHE 45 1HB PHE 45 1.299 3.915 2.835 354 2HB PHE 45 2HB PHE 45 1.332 4.096 4.590 355 HD1 PHE 45 1HD PHE 45 1.770 1.728 1.779 356 HD2 PHE 45 2HD PHE 45 2.132 2.296 6.023 357 HE1 PHE 45 1HE PHE 45 3.067 -0.379 1.948 358 HE2 PHE 45 2HE PHE 45 3.432 0.185 6.192 359 HZ PHE 45 HZ PHE 45 3.899 -1.159 4.153 360 H LYS 46 H LYS 46 -1.381 4.949 5.310 361 HA LYS 46 HA LYS 46 -3.301 6.061 3.426 362 1HB LYS 46 1HB LYS 46 -3.563 5.970 5.897 363 2HB LYS 46 2HB LYS 46 -2.200 7.075 6.069 364 1HG LYS 46 1HG LYS 46 -3.406 8.831 4.912 365 2HG LYS 46 2HG LYS 46 -4.718 7.723 4.504 366 1HD LYS 46 1HD LYS 46 -5.672 7.951 6.548 367 2HD LYS 46 2HD LYS 46 -4.122 7.800 7.376 368 1HE LYS 46 1HE LYS 46 -4.219 10.309 5.938 369 2HE LYS 46 2HE LYS 46 -5.624 10.167 7.015 370 1HZ LYS 46 1HZ LYS 46 -4.288 9.910 8.850 371 2HZ LYS 46 2HZ LYS 46 -3.309 10.950 7.930 372 3HZ LYS 46 3HZ LYS 46 -2.984 9.283 7.964 373 H SER 47 H SER 47 0.044 6.664 4.178 374 HA SER 47 HA SER 47 0.004 8.997 2.301 375 1HB SER 47 1HB SER 47 1.410 10.225 3.854 376 2HB SER 47 2HB SER 47 -0.013 9.667 4.723 377 HG SER 47 HG SER 47 1.143 8.071 5.664 378 H ALA 48 H ALA 48 2.060 9.362 1.257 379 HA ALA 48 HA ALA 48 3.478 6.984 0.500 380 1HB ALA 48 1HB ALA 48 5.094 8.964 -0.302 381 2HB ALA 48 2HB ALA 48 3.695 9.945 0.137 382 3HB ALA 48 3HB ALA 48 3.537 8.680 -1.081 383 H GLU 49 H GLU 49 3.947 9.368 3.035 384 HA GLU 49 HA GLU 49 6.713 8.690 3.633 385 1HB GLU 49 1HB GLU 49 5.016 10.735 4.192 386 2HB GLU 49 2HB GLU 49 4.928 9.841 5.709 387 1HG GLU 49 1HG GLU 49 7.618 9.799 5.239 388 2HG GLU 49 2HG GLU 49 7.183 11.354 4.530 389 H ASP 50 H ASP 50 3.551 7.691 4.925 390 HA ASP 50 HA ASP 50 4.504 6.159 7.149 391 1HB ASP 50 1HB ASP 50 2.169 6.788 6.888 392 2HB ASP 50 2HB ASP 50 2.070 5.944 5.343 393 H CYS 51 H CYS 51 4.098 5.477 3.729 394 HA CYS 51 HA CYS 51 4.636 2.629 3.844 395 1HB CYS 51 1HB CYS 51 3.439 3.814 2.021 396 2HB CYS 51 2HB CYS 51 4.912 4.705 1.635 397 H MET 52 H MET 52 6.585 5.551 3.163 398 HA MET 52 HA MET 52 9.059 4.119 2.679 399 1HB MET 52 1HB MET 52 8.019 6.749 2.532 400 2HB MET 52 2HB MET 52 9.408 6.832 3.618 401 1HG MET 52 1HG MET 52 10.867 6.481 1.922 402 2HG MET 52 2HG MET 52 9.908 5.149 1.274 403 1HE MET 52 1HE MET 52 10.665 7.329 -1.643 404 2HE MET 52 2HE MET 52 9.636 5.900 -1.644 405 3HE MET 52 3HE MET 52 11.063 5.946 -0.615 406 H ARG 53 H ARG 53 7.879 6.000 5.509 407 HA ARG 53 HA ARG 53 10.087 5.547 7.223 408 1HB ARG 53 1HB ARG 53 8.059 7.052 7.537 409 2HB ARG 53 2HB ARG 53 7.156 5.611 8.008 410 1HG ARG 53 1HG ARG 53 9.664 5.708 9.436 411 2HG ARG 53 2HG ARG 53 8.793 7.226 9.659 412 1HD ARG 53 1HD ARG 53 7.243 4.667 9.893 413 2HD ARG 53 2HD ARG 53 8.289 5.143 11.243 414 HE ARG 53 HE ARG 53 5.978 6.703 10.185 415 1HH1 ARG 53 1HH2 ARG 53 8.808 6.640 12.147 416 2HH1 ARG 53 2HH2 ARG 53 8.175 7.737 13.326 417 1HH2 ARG 53 1HH1 ARG 53 5.074 8.013 11.801 418 2HH2 ARG 53 2HH1 ARG 53 6.064 8.517 13.130 419 H THR 54 H THR 54 7.576 3.392 6.153 420 HA THR 54 HA THR 54 8.172 1.376 8.252 421 HB THR 54 HB THR 54 6.180 1.634 5.975 422 HG1 THR 54 1HG THR 54 6.156 2.603 8.310 423 1HG2 THR 54 1HG2 THR 54 7.016 -0.748 6.402 424 2HG2 THR 54 2HG2 THR 54 5.277 -0.485 6.521 425 3HG2 THR 54 3HG2 THR 54 6.250 -0.614 7.985 426 H CYS 55 H CYS 55 8.257 1.710 4.702 427 HA CYS 55 HA CYS 55 10.109 -0.648 4.592 428 1HB CYS 55 1HB CYS 55 8.253 0.517 2.494 429 2HB CYS 55 2HB CYS 55 9.149 -0.998 2.371 430 H GLY 56 H GLY 56 11.020 2.083 5.108 431 1HA GLY 56 1HA GLY 56 12.138 2.987 2.520 432 2HA GLY 56 2HA GLY 56 12.272 3.846 4.057 433 H GLY 57 H GLY 57 12.942 0.428 3.909 434 1HA GLY 57 1HA GLY 57 15.423 0.510 5.162 435 2HA GLY 57 2HA GLY 57 14.964 -0.765 4.034 436 H ALA 58 H ALA 58 15.155 -0.026 1.632 437 HA ALA 58 HA ALA 58 17.888 1.020 1.268 438 1HB ALA 58 1HB ALA 58 17.278 -0.934 0.043 439 2HB ALA 58 2HB ALA 58 17.270 0.371 -1.144 440 3HB ALA 58 3HB ALA 58 15.749 -0.221 -0.474 Start of MODEL 13 1 1H ARG 1 1H ARG 1 15.107 -4.158 5.929 2 2H ARG 1 2H ARG 1 15.687 -2.785 5.115 3 3H ARG 1 3H ARG 1 15.621 -4.282 4.317 4 HA ARG 1 HA ARG 1 13.343 -2.563 5.137 5 1HB ARG 1 1HB ARG 1 14.082 -1.826 3.075 6 2HB ARG 1 2HB ARG 1 14.804 -3.378 2.662 7 1HG ARG 1 1HG ARG 1 12.555 -4.317 2.261 8 2HG ARG 1 2HG ARG 1 11.831 -2.768 2.685 9 1HD ARG 1 1HD ARG 1 11.937 -2.548 0.365 10 2HD ARG 1 2HD ARG 1 13.524 -1.887 0.803 11 HE ARG 1 HE ARG 1 13.050 -4.420 -0.546 12 1HH1 ARG 1 1HH2 ARG 1 15.523 -2.509 -0.413 13 2HH1 ARG 1 2HH2 ARG 1 16.698 -3.597 0.247 14 1HH2 ARG 1 1HH1 ARG 1 14.347 -5.947 1.241 15 2HH2 ARG 1 2HH1 ARG 1 16.031 -5.546 1.185 16 HA PRO 2 HA PRO 2 11.010 -6.247 5.735 17 1HB PRO 2 1HB PRO 2 8.531 -5.283 5.057 18 2HB PRO 2 2HB PRO 2 9.325 -4.931 6.602 19 1HG PRO 2 1HG PRO 2 9.159 -3.279 4.111 20 2HG PRO 2 2HG PRO 2 8.987 -2.778 5.803 21 1HD PRO 2 1HD PRO 2 11.268 -2.395 4.386 22 2HD PRO 2 2HD PRO 2 11.274 -2.711 6.136 23 H ASP 3 H ASP 3 9.650 -7.769 4.477 24 HA ASP 3 HA ASP 3 10.211 -7.534 1.552 25 1HB ASP 3 1HB ASP 3 9.732 -10.061 1.724 26 2HB ASP 3 2HB ASP 3 11.191 -9.477 2.524 27 H PHE 4 H PHE 4 7.656 -7.459 3.878 28 HA PHE 4 HA PHE 4 5.530 -8.530 2.254 29 1HB PHE 4 1HB PHE 4 4.092 -7.438 3.905 30 2HB PHE 4 2HB PHE 4 5.470 -8.181 4.712 31 HD1 PHE 4 1HD PHE 4 6.800 -6.913 6.159 32 HD2 PHE 4 2HD PHE 4 4.310 -4.903 3.288 33 HE1 PHE 4 1HE PHE 4 7.316 -4.727 7.214 34 HE2 PHE 4 2HE PHE 4 4.807 -2.776 4.323 35 HZ PHE 4 HZ PHE 4 6.330 -2.648 6.294 36 H CYS 5 H CYS 5 7.301 -5.583 2.082 37 HA CYS 5 HA CYS 5 5.196 -4.080 0.670 38 1HB CYS 5 1HB CYS 5 7.870 -3.667 1.823 39 2HB CYS 5 2HB CYS 5 7.589 -2.759 0.337 40 H LEU 6 H LEU 6 7.441 -6.482 -0.134 41 HA LEU 6 HA LEU 6 8.165 -5.560 -2.804 42 1HB LEU 6 1HB LEU 6 8.181 -8.365 -1.644 43 2HB LEU 6 2HB LEU 6 9.200 -7.740 -2.942 44 HG LEU 6 HG LEU 6 9.241 -6.866 -0.036 45 1HD1 LEU 6 1HD1 LEU 6 10.918 -8.656 -1.742 46 2HD1 LEU 6 2HD1 LEU 6 10.505 -8.797 -0.034 47 3HD1 LEU 6 3HD1 LEU 6 11.742 -7.649 -0.550 48 1HD2 LEU 6 1HD2 LEU 6 11.265 -5.538 -0.867 49 2HD2 LEU 6 2HD2 LEU 6 9.687 -4.921 -1.355 50 3HD2 LEU 6 3HD2 LEU 6 10.668 -5.837 -2.498 51 H GLU 7 H GLU 7 5.483 -7.279 -1.383 52 HA GLU 7 HA GLU 7 4.536 -8.449 -3.901 53 1HB GLU 7 1HB GLU 7 3.939 -8.483 -1.038 54 2HB GLU 7 2HB GLU 7 2.475 -8.446 -2.021 55 1HG GLU 7 1HG GLU 7 2.973 -10.474 -3.066 56 2HG GLU 7 2HG GLU 7 4.702 -10.323 -2.757 57 HA PRO 8 HA PRO 8 1.906 -5.191 -5.219 58 1HB PRO 8 1HB PRO 8 -0.463 -6.440 -5.784 59 2HB PRO 8 2HB PRO 8 0.994 -6.631 -6.780 60 1HG PRO 8 1HG PRO 8 -0.171 -8.448 -4.726 61 2HG PRO 8 2HG PRO 8 0.622 -8.839 -6.259 62 1HD PRO 8 1HD PRO 8 1.820 -9.011 -3.785 63 2HD PRO 8 2HD PRO 8 2.701 -8.803 -5.314 64 HA PRO 9 HA PRO 9 -0.600 -3.706 -1.931 65 1HB PRO 9 1HB PRO 9 -2.478 -2.213 -3.262 66 2HB PRO 9 2HB PRO 9 -0.794 -1.696 -3.052 67 1HG PRO 9 1HG PRO 9 -2.143 -2.909 -5.415 68 2HG PRO 9 2HG PRO 9 -0.901 -1.649 -5.345 69 1HD PRO 9 1HD PRO 9 -0.405 -4.277 -5.967 70 2HD PRO 9 2HD PRO 9 0.802 -3.176 -5.271 71 H TYR 10 H TYR 10 -3.188 -3.414 -1.453 72 HA TYR 10 HA TYR 10 -4.533 -5.940 -2.382 73 1HB TYR 10 1HB TYR 10 -3.528 -6.024 -0.087 74 2HB TYR 10 2HB TYR 10 -4.561 -4.672 0.375 75 HD1 TYR 10 1HD TYR 10 -6.898 -4.978 0.823 76 HD2 TYR 10 2HD TYR 10 -4.546 -8.210 -0.749 77 HE1 TYR 10 1HE TYR 10 -8.753 -6.555 1.291 78 HE2 TYR 10 2HE TYR 10 -6.402 -9.788 -0.283 79 HH TYR 10 HH TYR 10 -8.347 -9.985 1.077 80 H THR 11 H THR 11 -5.858 -4.827 -3.873 81 HA THR 11 HA THR 11 -7.382 -2.462 -3.257 82 HB THR 11 HB THR 11 -7.427 -4.684 -5.293 83 HG1 THR 11 1HG THR 11 -7.423 -2.492 -6.505 84 1HG2 THR 11 1HG2 THR 11 -9.731 -4.422 -5.241 85 2HG2 THR 11 2HG2 THR 11 -9.293 -3.135 -6.364 86 3HG2 THR 11 3HG2 THR 11 -9.631 -2.754 -4.676 87 H GLY 12 H GLY 12 -7.689 -5.837 -2.522 88 1HA GLY 12 1HA GLY 12 -9.295 -7.023 -1.281 89 2HA GLY 12 2HA GLY 12 -9.760 -5.464 -0.598 90 HA PRO 13 HA PRO 13 -12.830 -7.107 -3.851 91 1HB PRO 13 1HB PRO 13 -14.494 -8.637 -2.306 92 2HB PRO 13 2HB PRO 13 -13.102 -9.300 -3.187 93 1HG PRO 13 1HG PRO 13 -13.393 -8.614 -0.303 94 2HG PRO 13 2HG PRO 13 -12.526 -9.958 -1.062 95 1HD PRO 13 1HD PRO 13 -11.335 -7.667 -0.096 96 2HD PRO 13 2HD PRO 13 -10.632 -8.713 -1.351 97 H CYS 14 H CYS 14 -13.243 -4.750 -3.488 98 HA CYS 14 HA CYS 14 -15.788 -4.349 -1.997 99 1HB CYS 14 1HB CYS 14 -13.099 -3.243 -1.384 100 2HB CYS 14 2HB CYS 14 -14.432 -2.089 -1.322 101 H LYS 15 H LYS 15 -16.540 -1.957 -2.481 102 HA LYS 15 HA LYS 15 -16.080 -1.463 -5.399 103 1HB LYS 15 1HB LYS 15 -18.365 -0.808 -3.510 104 2HB LYS 15 2HB LYS 15 -18.328 -0.361 -5.216 105 1HG LYS 15 1HG LYS 15 -18.719 -2.504 -5.918 106 2HG LYS 15 2HG LYS 15 -17.770 -3.214 -4.613 107 1HD LYS 15 1HD LYS 15 -19.813 -3.792 -3.776 108 2HD LYS 15 2HD LYS 15 -19.842 -2.122 -3.209 109 1HE LYS 15 1HE LYS 15 -20.782 -2.716 -6.004 110 2HE LYS 15 2HE LYS 15 -21.866 -3.046 -4.637 111 1HZ LYS 15 1HZ LYS 15 -20.668 -0.494 -5.507 112 2HZ LYS 15 2HZ LYS 15 -21.040 -0.720 -3.864 113 3HZ LYS 15 3HZ LYS 15 -22.265 -0.819 -5.035 114 H ALA 16 H ALA 16 -15.151 -0.288 -2.423 115 HA ALA 16 HA ALA 16 -15.487 2.556 -2.739 116 1HB ALA 16 1HB ALA 16 -14.767 2.326 -0.611 117 2HB ALA 16 2HB ALA 16 -13.160 1.929 -1.218 118 3HB ALA 16 3HB ALA 16 -14.334 0.646 -0.926 119 H ARG 17 H ARG 17 -13.709 4.091 -3.211 120 HA ARG 17 HA ARG 17 -11.547 2.964 -4.947 121 1HB ARG 17 1HB ARG 17 -13.822 4.717 -5.592 122 2HB ARG 17 2HB ARG 17 -12.271 5.355 -6.135 123 1HG ARG 17 1HG ARG 17 -12.924 2.467 -6.634 124 2HG ARG 17 2HG ARG 17 -13.632 3.701 -7.678 125 1HD ARG 17 1HD ARG 17 -10.933 4.442 -7.455 126 2HD ARG 17 2HD ARG 17 -10.904 2.677 -7.644 127 HE ARG 17 HE ARG 17 -12.151 2.946 -9.730 128 1HH1 ARG 17 1HH1 ARG 17 -9.908 4.893 -10.131 129 2HH1 ARG 17 2HH1 ARG 17 -10.752 6.319 -10.637 130 1HH2 ARG 17 1HH2 ARG 17 -13.843 5.205 -9.529 131 2HH2 ARG 17 2HH2 ARG 17 -12.979 6.496 -10.295 132 H ILE 18 H ILE 18 -10.562 3.469 -2.660 133 HA ILE 18 HA ILE 18 -9.957 6.359 -2.297 134 HB ILE 18 HB ILE 18 -9.220 3.929 -0.635 135 1HG1 ILE 18 1HG1 ILE 18 -11.574 5.824 -0.354 136 2HG1 ILE 18 2HG1 ILE 18 -11.679 4.166 -0.946 137 1HG2 ILE 18 1HG2 ILE 18 -9.600 6.693 0.444 138 2HG2 ILE 18 2HG2 ILE 18 -8.109 6.340 -0.429 139 3HG2 ILE 18 3HG2 ILE 18 -8.531 5.408 1.007 140 1HD1 ILE 18 1HD1 ILE 18 -12.136 3.783 1.283 141 2HD1 ILE 18 2HD1 ILE 18 -11.193 5.172 1.823 142 3HD1 ILE 18 3HD1 ILE 18 -10.375 3.683 1.345 143 H ILE 19 H ILE 19 -7.746 7.089 -2.217 144 HA ILE 19 HA ILE 19 -5.908 5.468 -3.903 145 HB ILE 19 HB ILE 19 -5.831 8.346 -2.940 146 1HG1 ILE 19 1HG1 ILE 19 -7.775 7.701 -4.427 147 2HG1 ILE 19 2HG1 ILE 19 -6.707 8.924 -5.118 148 1HG2 ILE 19 1HG2 ILE 19 -4.343 8.322 -5.173 149 2HG2 ILE 19 2HG2 ILE 19 -4.059 6.663 -4.646 150 3HG2 ILE 19 3HG2 ILE 19 -3.646 8.009 -3.584 151 1HD1 ILE 19 1HD1 ILE 19 -5.808 7.449 -6.672 152 2HD1 ILE 19 2HD1 ILE 19 -7.449 6.817 -6.548 153 3HD1 ILE 19 3HD1 ILE 19 -6.134 6.033 -5.673 154 H ARG 20 H ARG 20 -5.270 3.968 -2.173 155 HA ARG 20 HA ARG 20 -3.942 5.068 0.219 156 1HB ARG 20 1HB ARG 20 -4.623 2.354 -0.900 157 2HB ARG 20 2HB ARG 20 -3.535 2.500 0.481 158 1HG ARG 20 1HG ARG 20 -6.285 3.770 0.374 159 2HG ARG 20 2HG ARG 20 -5.970 2.192 1.096 160 1HD ARG 20 1HD ARG 20 -4.863 3.107 2.911 161 2HD ARG 20 2HD ARG 20 -4.236 4.472 1.967 162 HE ARG 20 HE ARG 20 -7.142 4.247 2.682 163 1HH1 ARG 20 1HH1 ARG 20 -5.008 6.271 1.185 164 2HH1 ARG 20 2HH1 ARG 20 -5.304 7.654 2.184 165 1HH2 ARG 20 1HH2 ARG 20 -7.180 5.903 4.515 166 2HH2 ARG 20 2HH2 ARG 20 -6.532 7.446 4.069 167 H TYR 21 H TYR 21 -1.683 4.038 0.718 168 HA TYR 21 HA TYR 21 -0.004 4.284 -1.754 169 1HB TYR 21 1HB TYR 21 0.396 4.963 1.161 170 2HB TYR 21 2HB TYR 21 1.756 4.864 0.042 171 HD1 TYR 21 1HD TYR 21 -1.366 6.645 0.861 172 HD2 TYR 21 2HD TYR 21 2.069 6.501 -1.711 173 HE1 TYR 21 1HE TYR 21 -1.887 8.931 0.043 174 HE2 TYR 21 2HE TYR 21 1.549 8.784 -2.536 175 HH TYR 21 HH TYR 21 -0.372 10.282 -2.709 176 H PHE 22 H PHE 22 1.735 2.822 -2.023 177 HA PHE 22 HA PHE 22 2.059 0.596 -0.097 178 1HB PHE 22 1HB PHE 22 1.325 -1.067 -1.592 179 2HB PHE 22 2HB PHE 22 0.169 0.225 -1.859 180 HD1 PHE 22 1HD PHE 22 3.100 -1.539 -3.230 181 HD2 PHE 22 2HD PHE 22 0.170 1.528 -3.914 182 HE1 PHE 22 1HE PHE 22 3.740 -1.461 -5.626 183 HE2 PHE 22 2HE PHE 22 0.811 1.606 -6.309 184 HZ PHE 22 HZ PHE 22 2.595 0.111 -7.165 185 H TYR 23 H TYR 23 3.983 -0.744 -0.733 186 HA TYR 23 HA TYR 23 6.098 1.005 -1.829 187 1HB TYR 23 1HB TYR 23 6.338 -0.377 0.241 188 2HB TYR 23 2HB TYR 23 6.195 -1.833 -0.749 189 HD1 TYR 23 1HD TYR 23 8.117 -2.755 -1.738 190 HD2 TYR 23 2HD TYR 23 8.150 1.354 -0.484 191 HE1 TYR 23 1HE TYR 23 10.521 -2.594 -2.326 192 HE2 TYR 23 2HE TYR 23 10.556 1.515 -1.071 193 HH TYR 23 HH TYR 23 12.515 -0.201 -1.267 194 H ASN 24 H ASN 24 6.925 0.801 -3.895 195 HA ASN 24 HA ASN 24 5.926 -1.448 -5.592 196 1HB ASN 24 1HB ASN 24 5.527 0.909 -6.276 197 2HB ASN 24 2HB ASN 24 7.266 1.190 -6.281 198 1HD2 ASN 24 1HD2 ASN 24 4.910 0.810 -8.449 199 2HD2 ASN 24 2HD2 ASN 24 5.691 -0.125 -9.631 200 H ALA 25 H ALA 25 7.513 -3.022 -4.789 201 HA ALA 25 HA ALA 25 10.257 -2.760 -4.490 202 1HB ALA 25 1HB ALA 25 10.160 -5.174 -5.616 203 2HB ALA 25 2HB ALA 25 8.421 -4.897 -5.515 204 3HB ALA 25 3HB ALA 25 9.403 -4.881 -4.051 205 H LYS 26 H LYS 26 8.424 -2.838 -7.506 206 HA LYS 26 HA LYS 26 10.728 -3.074 -9.254 207 1HB LYS 26 1HB LYS 26 7.805 -2.511 -9.425 208 2HB LYS 26 2HB LYS 26 8.793 -1.998 -10.794 209 1HG LYS 26 1HG LYS 26 8.833 -4.125 -11.531 210 2HG LYS 26 2HG LYS 26 9.665 -4.605 -10.050 211 1HD LYS 26 1HD LYS 26 7.523 -4.924 -8.915 212 2HD LYS 26 2HD LYS 26 6.655 -4.338 -10.335 213 1HE LYS 26 1HE LYS 26 6.770 -6.880 -10.123 214 2HE LYS 26 2HE LYS 26 7.410 -6.243 -11.650 215 1HZ LYS 26 1HZ LYS 26 8.858 -7.866 -10.287 216 2HZ LYS 26 2HZ LYS 26 9.142 -6.535 -9.270 217 3HZ LYS 26 3HZ LYS 26 9.588 -6.467 -10.909 218 H ALA 27 H ALA 27 9.133 -0.430 -7.602 219 HA ALA 27 HA ALA 27 10.594 1.588 -9.239 220 1HB ALA 27 1HB ALA 27 8.749 2.145 -6.927 221 2HB ALA 27 2HB ALA 27 8.085 1.594 -8.465 222 3HB ALA 27 3HB ALA 27 9.007 3.096 -8.389 223 H GLY 28 H GLY 28 10.425 0.262 -5.958 224 1HA GLY 28 1HA GLY 28 12.398 0.194 -4.530 225 2HA GLY 28 2HA GLY 28 13.009 1.620 -5.367 226 H LEU 29 H LEU 29 9.982 2.514 -5.072 227 HA LEU 29 HA LEU 29 10.230 3.474 -2.249 228 1HB LEU 29 1HB LEU 29 9.029 5.078 -4.506 229 2HB LEU 29 2HB LEU 29 9.696 5.658 -2.982 230 HG LEU 29 HG LEU 29 11.918 4.537 -3.955 231 1HD1 LEU 29 1HD1 LEU 29 11.968 4.175 -6.200 232 2HD1 LEU 29 2HD1 LEU 29 10.997 5.609 -6.541 233 3HD1 LEU 29 3HD1 LEU 29 10.210 4.103 -6.068 234 1HD2 LEU 29 1HD2 LEU 29 12.644 6.700 -4.309 235 2HD2 LEU 29 2HD2 LEU 29 11.126 7.057 -3.484 236 3HD2 LEU 29 3HD2 LEU 29 11.214 7.137 -5.244 237 H CYS 30 H CYS 30 7.680 4.983 -2.800 238 HA CYS 30 HA CYS 30 5.793 2.651 -2.755 239 1HB CYS 30 1HB CYS 30 5.872 5.237 -1.176 240 2HB CYS 30 2HB CYS 30 4.488 4.145 -1.173 241 H GLN 31 H GLN 31 3.646 3.108 -3.592 242 HA GLN 31 HA GLN 31 3.378 5.596 -5.219 243 1HB GLN 31 1HB GLN 31 2.905 2.754 -6.182 244 2HB GLN 31 2HB GLN 31 2.713 4.220 -7.144 245 1HG GLN 31 1HG GLN 31 5.272 4.504 -6.167 246 2HG GLN 31 2HG GLN 31 5.164 2.759 -6.411 247 1HE2 GLN 31 1HE2 GLN 31 6.701 3.035 -8.262 248 2HE2 GLN 31 2HE2 GLN 31 6.128 3.613 -9.752 249 H THR 32 H THR 32 0.955 5.384 -6.251 250 HA THR 32 HA THR 32 -0.805 4.849 -3.902 251 HB THR 32 HB THR 32 -2.368 6.300 -5.319 252 HG1 THR 32 1HG THR 32 -0.718 7.522 -6.812 253 1HG2 THR 32 1HG2 THR 32 -1.091 7.248 -3.469 254 2HG2 THR 32 2HG2 THR 32 -1.090 8.379 -4.823 255 3HG2 THR 32 3HG2 THR 32 0.336 7.392 -4.495 256 H PHE 33 H PHE 33 -2.589 3.469 -4.089 257 HA PHE 33 HA PHE 33 -3.102 2.177 -6.726 258 1HB PHE 33 1HB PHE 33 -2.778 -0.003 -5.855 259 2HB PHE 33 2HB PHE 33 -1.429 0.922 -5.213 260 HD1 PHE 33 1HD PHE 33 -1.447 1.695 -2.828 261 HD2 PHE 33 2HD PHE 33 -4.492 -0.886 -4.424 262 HE1 PHE 33 1HE PHE 33 -2.151 1.107 -0.532 263 HE2 PHE 33 2HE PHE 33 -5.192 -1.478 -2.121 264 HZ PHE 33 HZ PHE 33 -4.023 -0.483 -0.173 265 H VAL 34 H VAL 34 -5.214 1.067 -6.750 266 HA VAL 34 HA VAL 34 -7.248 2.614 -5.366 267 HB VAL 34 HB VAL 34 -7.213 0.216 -7.206 268 1HG1 VAL 34 1HG1 VAL 34 -9.652 1.697 -6.170 269 2HG1 VAL 34 2HG1 VAL 34 -9.165 0.085 -5.643 270 3HG1 VAL 34 3HG1 VAL 34 -9.646 0.357 -7.318 271 1HG2 VAL 34 1HG2 VAL 34 -6.687 2.652 -7.927 272 2HG2 VAL 34 2HG2 VAL 34 -8.406 2.952 -7.664 273 3HG2 VAL 34 3HG2 VAL 34 -7.890 1.766 -8.863 274 H TYR 35 H TYR 35 -7.518 2.254 -3.196 275 HA TYR 35 HA TYR 35 -7.224 -0.447 -2.044 276 1HB TYR 35 1HB TYR 35 -6.345 1.522 -0.899 277 2HB TYR 35 2HB TYR 35 -7.931 2.291 -0.936 278 HD1 TYR 35 1HD TYR 35 -7.363 -1.313 -0.309 279 HD2 TYR 35 2HD TYR 35 -8.250 2.507 1.445 280 HE1 TYR 35 1HE TYR 35 -7.945 -2.428 1.827 281 HE2 TYR 35 2HE TYR 35 -8.832 1.390 3.582 282 HH TYR 35 HH TYR 35 -9.387 -1.905 3.838 283 H GLY 36 H GLY 36 -8.987 -1.645 -1.166 284 1HA GLY 36 1HA GLY 36 -11.625 -0.980 -2.282 285 2HA GLY 36 2HA GLY 36 -11.208 -2.465 -1.429 286 H ALA 37 H ALA 37 -9.996 -0.142 0.515 287 HA ALA 37 HA ALA 37 -10.798 0.990 2.443 288 1HB ALA 37 1HB ALA 37 -12.550 1.629 0.598 289 2HB ALA 37 2HB ALA 37 -12.953 1.903 2.294 290 3HB ALA 37 3HB ALA 37 -13.594 0.491 1.452 291 H CYS 38 H CYS 38 -10.965 -2.154 1.842 292 HA CYS 38 HA CYS 38 -12.021 -2.786 4.546 293 1HB CYS 38 1HB CYS 38 -13.506 -4.523 3.570 294 2HB CYS 38 2HB CYS 38 -13.937 -2.911 2.998 295 H ARG 39 H ARG 39 -11.444 -5.047 5.170 296 HA ARG 39 HA ARG 39 -9.678 -6.611 5.465 297 1HB ARG 39 1HB ARG 39 -10.785 -6.711 2.695 298 2HB ARG 39 2HB ARG 39 -9.360 -7.696 3.027 299 1HG ARG 39 1HG ARG 39 -10.548 -9.159 4.280 300 2HG ARG 39 2HG ARG 39 -11.374 -7.864 5.148 301 1HD ARG 39 1HD ARG 39 -12.721 -7.559 2.925 302 2HD ARG 39 2HD ARG 39 -12.149 -9.197 2.553 303 HE ARG 39 HE ARG 39 -13.882 -8.436 4.856 304 1HH1 ARG 39 1HH1 ARG 39 -11.561 -10.683 4.781 305 2HH1 ARG 39 2HH1 ARG 39 -12.583 -12.081 4.746 306 1HH2 ARG 39 1HH2 ARG 39 -15.467 -10.283 4.060 307 2HH2 ARG 39 2HH2 ARG 39 -14.793 -11.854 4.338 308 H ALA 40 H ALA 40 -8.602 -3.997 5.215 309 HA ALA 40 HA ALA 40 -6.635 -3.691 3.166 310 1HB ALA 40 1HB ALA 40 -6.450 -1.733 4.277 311 2HB ALA 40 2HB ALA 40 -5.845 -2.564 5.711 312 3HB ALA 40 3HB ALA 40 -7.581 -2.362 5.474 313 H LYS 41 H LYS 41 -4.323 -4.042 3.301 314 HA LYS 41 HA LYS 41 -3.521 -6.183 5.248 315 1HB LYS 41 1HB LYS 41 -2.766 -5.697 2.345 316 2HB LYS 41 2HB LYS 41 -2.034 -6.940 3.362 317 1HG LYS 41 1HG LYS 41 -4.578 -7.586 3.797 318 2HG LYS 41 2HG LYS 41 -4.809 -6.786 2.243 319 1HD LYS 41 1HD LYS 41 -4.347 -8.930 1.508 320 2HD LYS 41 2HD LYS 41 -2.706 -8.289 1.576 321 1HE LYS 41 1HE LYS 41 -2.215 -9.988 3.007 322 2HE LYS 41 2HE LYS 41 -3.277 -9.203 4.193 323 1HZ LYS 41 1HZ LYS 41 -3.981 -11.495 3.626 324 2HZ LYS 41 2HZ LYS 41 -4.193 -11.012 2.010 325 3HZ LYS 41 3HZ LYS 41 -5.158 -10.338 3.235 326 H ARG 42 H ARG 42 -0.740 -6.081 4.479 327 HA ARG 42 HA ARG 42 0.052 -3.675 5.970 328 1HB ARG 42 1HB ARG 42 1.940 -4.899 6.367 329 2HB ARG 42 2HB ARG 42 0.970 -6.233 5.822 330 1HG ARG 42 1HG ARG 42 2.727 -4.597 4.043 331 2HG ARG 42 2HG ARG 42 3.200 -6.124 4.782 332 1HD ARG 42 1HD ARG 42 0.656 -6.111 3.259 333 2HD ARG 42 2HD ARG 42 2.164 -6.012 2.335 334 HE ARG 42 HE ARG 42 2.387 -8.007 4.402 335 1HH1 ARG 42 1HH1 ARG 42 2.081 -7.527 1.102 336 2HH1 ARG 42 2HH1 ARG 42 1.458 -9.105 0.747 337 1HH2 ARG 42 1HH2 ARG 42 1.063 -9.988 4.077 338 2HH2 ARG 42 2HH2 ARG 42 0.883 -10.499 2.432 339 H ASN 43 H ASN 43 -0.137 -4.703 2.687 340 HA ASN 43 HA ASN 43 1.698 -2.616 1.684 341 1HB ASN 43 1HB ASN 43 1.127 -5.115 0.864 342 2HB ASN 43 2HB ASN 43 -0.088 -4.249 -0.076 343 1HD2 ASN 43 1HD2 ASN 43 3.419 -4.512 0.502 344 2HD2 ASN 43 2HD2 ASN 43 3.885 -3.754 -0.943 345 H ASN 44 H ASN 44 -0.238 -1.355 3.050 346 HA ASN 44 HA ASN 44 -1.748 0.090 0.965 347 1HB ASN 44 1HB ASN 44 -3.215 -1.781 1.465 348 2HB ASN 44 2HB ASN 44 -2.988 -1.556 3.198 349 1HD2 ASN 44 1HD2 ASN 44 -5.581 -1.516 1.941 350 2HD2 ASN 44 2HD2 ASN 44 -6.223 0.055 2.122 351 H PHE 45 H PHE 45 -0.073 1.611 1.930 352 HA PHE 45 HA PHE 45 -0.542 2.501 4.701 353 1HB PHE 45 1HB PHE 45 1.276 3.658 2.567 354 2HB PHE 45 2HB PHE 45 1.471 3.757 4.318 355 HD1 PHE 45 1HD PHE 45 2.105 1.793 1.336 356 HD2 PHE 45 2HD PHE 45 1.907 1.596 5.625 357 HE1 PHE 45 1HE PHE 45 3.370 -0.345 1.294 358 HE2 PHE 45 2HE PHE 45 3.174 -0.540 5.585 359 HZ PHE 45 HZ PHE 45 3.904 -1.532 3.419 360 H LYS 46 H LYS 46 -1.732 4.303 5.238 361 HA LYS 46 HA LYS 46 -3.537 5.495 3.364 362 1HB LYS 46 1HB LYS 46 -2.616 6.539 6.056 363 2HB LYS 46 2HB LYS 46 -4.170 6.838 5.277 364 1HG LYS 46 1HG LYS 46 -4.077 4.094 5.290 365 2HG LYS 46 2HG LYS 46 -3.244 4.483 6.795 366 1HD LYS 46 1HD LYS 46 -5.135 5.312 7.769 367 2HD LYS 46 2HD LYS 46 -5.701 6.051 6.270 368 1HE LYS 46 1HE LYS 46 -7.108 4.301 5.940 369 2HE LYS 46 2HE LYS 46 -5.734 3.177 5.982 370 1HZ LYS 46 1HZ LYS 46 -7.611 3.195 7.849 371 2HZ LYS 46 2HZ LYS 46 -6.583 4.375 8.511 372 3HZ LYS 46 3HZ LYS 46 -5.997 2.812 8.200 373 H SER 47 H SER 47 -0.237 6.239 4.096 374 HA SER 47 HA SER 47 -0.451 8.664 2.369 375 1HB SER 47 1HB SER 47 0.821 9.951 4.011 376 2HB SER 47 2HB SER 47 -0.622 9.295 4.776 377 HG SER 47 HG SER 47 0.768 8.550 6.161 378 H ALA 48 H ALA 48 1.628 9.279 1.439 379 HA ALA 48 HA ALA 48 3.268 7.060 0.638 380 1HB ALA 48 1HB ALA 48 4.518 9.697 0.472 381 2HB ALA 48 2HB ALA 48 2.833 9.742 -0.050 382 3HB ALA 48 3HB ALA 48 3.970 8.644 -0.833 383 H GLU 49 H GLU 49 3.432 9.385 3.256 384 HA GLU 49 HA GLU 49 6.189 8.833 4.014 385 1HB GLU 49 1HB GLU 49 3.849 10.054 5.518 386 2HB GLU 49 2HB GLU 49 5.548 10.207 5.965 387 1HG GLU 49 1HG GLU 49 5.739 11.977 4.586 388 2HG GLU 49 2HG GLU 49 5.308 10.948 3.221 389 H ASP 50 H ASP 50 3.058 7.432 4.695 390 HA ASP 50 HA ASP 50 3.905 5.968 7.080 391 1HB ASP 50 1HB ASP 50 1.572 6.733 6.533 392 2HB ASP 50 2HB ASP 50 1.541 5.559 5.217 393 H CYS 51 H CYS 51 3.750 5.391 3.611 394 HA CYS 51 HA CYS 51 4.260 2.507 3.799 395 1HB CYS 51 1HB CYS 51 3.038 3.499 1.924 396 2HB CYS 51 2HB CYS 51 4.406 4.548 1.549 397 H MET 52 H MET 52 6.143 5.432 2.998 398 HA MET 52 HA MET 52 8.638 4.093 2.503 399 1HB MET 52 1HB MET 52 7.912 6.902 3.389 400 2HB MET 52 2HB MET 52 9.521 6.427 2.844 401 1HG MET 52 1HG MET 52 6.954 6.257 1.231 402 2HG MET 52 2HG MET 52 8.272 7.402 0.976 403 1HE MET 52 1HE MET 52 10.461 6.936 0.685 404 2HE MET 52 2HE MET 52 10.250 6.661 -1.042 405 3HE MET 52 3HE MET 52 11.218 5.539 -0.089 406 H ARG 53 H ARG 53 7.413 5.795 5.422 407 HA ARG 53 HA ARG 53 9.686 5.246 7.068 408 1HB ARG 53 1HB ARG 53 8.312 6.103 8.791 409 2HB ARG 53 2HB ARG 53 7.647 6.848 7.340 410 1HG ARG 53 1HG ARG 53 5.656 6.004 8.014 411 2HG ARG 53 2HG ARG 53 6.279 4.439 7.493 412 1HD ARG 53 1HD ARG 53 6.288 3.714 9.642 413 2HD ARG 53 2HD ARG 53 7.319 5.077 10.119 414 HE ARG 53 HE ARG 53 4.512 5.798 9.649 415 1HH1 ARG 53 1HH1 ARG 53 6.667 4.329 11.888 416 2HH1 ARG 53 2HH1 ARG 53 5.908 5.019 13.283 417 1HH2 ARG 53 1HH2 ARG 53 3.614 6.863 11.450 418 2HH2 ARG 53 2HH2 ARG 53 4.181 6.456 13.036 419 H THR 54 H THR 54 7.230 3.173 5.869 420 HA THR 54 HA THR 54 7.498 1.199 8.061 421 HB THR 54 HB THR 54 5.906 1.322 5.474 422 HG1 THR 54 1HG THR 54 5.046 2.694 6.935 423 1HG2 THR 54 1HG2 THR 54 6.358 -0.849 7.437 424 2HG2 THR 54 2HG2 THR 54 5.900 -0.936 5.736 425 3HG2 THR 54 3HG2 THR 54 4.682 -0.572 6.960 426 H CYS 55 H CYS 55 7.958 1.246 4.503 427 HA CYS 55 HA CYS 55 9.869 -1.043 4.801 428 1HB CYS 55 1HB CYS 55 8.341 -0.009 2.393 429 2HB CYS 55 2HB CYS 55 9.254 -1.516 2.482 430 H GLY 56 H GLY 56 10.311 2.053 4.962 431 1HA GLY 56 1HA GLY 56 11.840 2.784 2.639 432 2HA GLY 56 2HA GLY 56 11.934 3.577 4.214 433 H GLY 57 H GLY 57 14.317 3.487 3.220 434 1HA GLY 57 1HA GLY 57 16.321 2.634 4.471 435 2HA GLY 57 2HA GLY 57 15.609 1.025 4.333 436 H ALA 58 H ALA 58 16.774 -0.130 2.864 437 HA ALA 58 HA ALA 58 17.876 -0.675 0.845 438 1HB ALA 58 1HB ALA 58 15.796 1.348 0.274 439 2HB ALA 58 2HB ALA 58 16.087 -0.209 -0.501 440 3HB ALA 58 3HB ALA 58 17.038 1.201 -0.969 Start of MODEL 14 1 1H ARG 1 1H ARG 1 14.922 -6.666 4.561 2 2H ARG 1 2H ARG 1 14.533 -6.238 6.160 3 3H ARG 1 3H ARG 1 15.468 -5.193 5.199 4 HA ARG 1 HA ARG 1 13.213 -4.356 5.330 5 1HB ARG 1 1HB ARG 1 14.151 -3.735 3.320 6 2HB ARG 1 2HB ARG 1 14.535 -5.394 2.870 7 1HG ARG 1 1HG ARG 1 12.507 -5.728 1.854 8 2HG ARG 1 2HG ARG 1 11.645 -4.702 3.001 9 1HD ARG 1 1HD ARG 1 11.601 -3.444 0.982 10 2HD ARG 1 2HD ARG 1 12.975 -2.746 1.862 11 HE ARG 1 HE ARG 1 13.251 -4.874 -0.241 12 1HH1 ARG 1 1HH1 ARG 1 15.510 -4.219 1.747 13 2HH1 ARG 1 2HH1 ARG 1 16.487 -3.164 0.780 14 1HH2 ARG 1 1HH2 ARG 1 14.017 -2.617 -1.590 15 2HH2 ARG 1 2HH2 ARG 1 15.641 -2.254 -1.108 16 HA PRO 2 HA PRO 2 9.984 -7.327 5.730 17 1HB PRO 2 1HB PRO 2 7.873 -5.755 4.979 18 2HB PRO 2 2HB PRO 2 8.659 -5.641 6.563 19 1HG PRO 2 1HG PRO 2 9.021 -3.962 4.115 20 2HG PRO 2 2HG PRO 2 8.919 -3.463 5.812 21 1HD PRO 2 1HD PRO 2 11.270 -3.651 4.475 22 2HD PRO 2 2HD PRO 2 11.133 -3.980 6.218 23 H ASP 3 H ASP 3 8.181 -8.300 4.409 24 HA ASP 3 HA ASP 3 8.931 -8.293 1.515 25 1HB ASP 3 1HB ASP 3 7.909 -10.316 3.489 26 2HB ASP 3 2HB ASP 3 7.602 -10.561 1.769 27 H PHE 4 H PHE 4 6.386 -7.556 3.779 28 HA PHE 4 HA PHE 4 4.154 -7.949 1.985 29 1HB PHE 4 1HB PHE 4 2.961 -6.473 3.586 30 2HB PHE 4 2HB PHE 4 3.880 -7.731 4.402 31 HD1 PHE 4 1HD PHE 4 3.914 -4.102 3.484 32 HD2 PHE 4 2HD PHE 4 5.625 -7.215 5.912 33 HE1 PHE 4 1HE PHE 4 5.096 -2.406 4.835 34 HE2 PHE 4 2HE PHE 4 6.805 -5.503 7.261 35 HZ PHE 4 HZ PHE 4 6.531 -3.099 6.720 36 H CYS 5 H CYS 5 6.570 -5.462 2.256 37 HA CYS 5 HA CYS 5 5.054 -3.505 0.650 38 1HB CYS 5 1HB CYS 5 7.687 -3.729 2.051 39 2HB CYS 5 2HB CYS 5 7.562 -2.551 0.746 40 H LEU 6 H LEU 6 7.231 -6.156 0.128 41 HA LEU 6 HA LEU 6 8.190 -5.240 -2.487 42 1HB LEU 6 1HB LEU 6 8.313 -8.006 -1.265 43 2HB LEU 6 2HB LEU 6 9.432 -7.287 -2.424 44 HG LEU 6 HG LEU 6 9.012 -6.464 0.464 45 1HD1 LEU 6 1HD1 LEU 6 10.844 -7.696 0.910 46 2HD1 LEU 6 2HD1 LEU 6 11.724 -6.992 -0.446 47 3HD1 LEU 6 3HD1 LEU 6 10.676 -8.386 -0.704 48 1HD2 LEU 6 1HD2 LEU 6 9.977 -4.965 -1.843 49 2HD2 LEU 6 2HD2 LEU 6 11.214 -5.099 -0.594 50 3HD2 LEU 6 3HD2 LEU 6 9.641 -4.399 -0.207 51 H GLU 7 H GLU 7 5.435 -6.991 -1.299 52 HA GLU 7 HA GLU 7 4.901 -8.323 -3.877 53 1HB GLU 7 1HB GLU 7 3.926 -8.341 -1.103 54 2HB GLU 7 2HB GLU 7 2.638 -8.511 -2.297 55 1HG GLU 7 1HG GLU 7 3.932 -10.348 -3.375 56 2HG GLU 7 2HG GLU 7 5.149 -10.205 -2.108 57 HA PRO 8 HA PRO 8 2.315 -5.261 -5.641 58 1HB PRO 8 1HB PRO 8 0.087 -6.661 -6.424 59 2HB PRO 8 2HB PRO 8 1.653 -6.776 -7.252 60 1HG PRO 8 1HG PRO 8 0.421 -8.605 -5.231 61 2HG PRO 8 2HG PRO 8 1.309 -9.001 -6.712 62 1HD PRO 8 1HD PRO 8 2.427 -9.099 -4.235 63 2HD PRO 8 2HD PRO 8 3.359 -8.706 -5.698 64 HA PRO 9 HA PRO 9 -0.540 -3.803 -2.658 65 1HB PRO 9 1HB PRO 9 -2.296 -2.357 -4.197 66 2HB PRO 9 2HB PRO 9 -0.649 -1.813 -3.816 67 1HG PRO 9 1HG PRO 9 -1.721 -3.071 -6.296 68 2HG PRO 9 2HG PRO 9 -0.512 -1.790 -6.108 69 1HD PRO 9 1HD PRO 9 0.083 -4.420 -6.641 70 2HD PRO 9 2HD PRO 9 1.194 -3.289 -5.838 71 H TYR 10 H TYR 10 -2.849 -3.941 -1.963 72 HA TYR 10 HA TYR 10 -4.301 -6.219 -3.300 73 1HB TYR 10 1HB TYR 10 -3.128 -6.513 -1.009 74 2HB TYR 10 2HB TYR 10 -4.397 -5.470 -0.371 75 HD1 TYR 10 1HD TYR 10 -6.235 -6.556 0.543 76 HD2 TYR 10 2HD TYR 10 -4.131 -8.403 -2.717 77 HE1 TYR 10 1HE TYR 10 -7.780 -8.499 0.643 78 HE2 TYR 10 2HE TYR 10 -5.675 -10.342 -2.616 79 HH TYR 10 HH TYR 10 -7.759 -10.990 -1.810 80 H THR 11 H THR 11 -5.686 -4.857 -4.525 81 HA THR 11 HA THR 11 -7.075 -2.571 -3.677 82 HB THR 11 HB THR 11 -7.582 -4.851 -5.567 83 HG1 THR 11 1HG THR 11 -6.295 -3.270 -6.343 84 1HG2 THR 11 1HG2 THR 11 -9.804 -4.257 -4.585 85 2HG2 THR 11 2HG2 THR 11 -9.688 -3.876 -6.302 86 3HG2 THR 11 3HG2 THR 11 -9.548 -2.591 -5.103 87 H GLY 12 H GLY 12 -7.414 -5.898 -2.743 88 1HA GLY 12 1HA GLY 12 -8.743 -6.879 -1.069 89 2HA GLY 12 2HA GLY 12 -9.118 -5.245 -0.517 90 HA PRO 13 HA PRO 13 -12.843 -7.072 -2.585 91 1HB PRO 13 1HB PRO 13 -14.442 -7.211 -0.365 92 2HB PRO 13 2HB PRO 13 -13.365 -8.524 -0.868 93 1HG PRO 13 1HG PRO 13 -13.071 -6.544 1.311 94 2HG PRO 13 2HG PRO 13 -12.488 -8.209 1.210 95 1HD PRO 13 1HD PRO 13 -10.967 -5.893 0.811 96 2HD PRO 13 2HD PRO 13 -10.496 -7.545 0.363 97 H CYS 14 H CYS 14 -15.305 -6.017 -1.406 98 HA CYS 14 HA CYS 14 -16.575 -4.028 -1.351 99 1HB CYS 14 1HB CYS 14 -13.883 -2.755 -0.759 100 2HB CYS 14 2HB CYS 14 -15.473 -2.136 -0.315 101 H LYS 15 H LYS 15 -16.727 -1.832 -2.498 102 HA LYS 15 HA LYS 15 -15.360 -2.002 -5.165 103 1HB LYS 15 1HB LYS 15 -18.079 -0.947 -4.318 104 2HB LYS 15 2HB LYS 15 -17.449 -0.876 -5.965 105 1HG LYS 15 1HG LYS 15 -17.124 -3.429 -5.744 106 2HG LYS 15 2HG LYS 15 -18.182 -3.313 -4.338 107 1HD LYS 15 1HD LYS 15 -19.656 -1.897 -6.083 108 2HD LYS 15 2HD LYS 15 -18.807 -2.937 -7.228 109 1HE LYS 15 1HE LYS 15 -20.142 -4.683 -6.668 110 2HE LYS 15 2HE LYS 15 -19.717 -4.495 -4.955 111 1HZ LYS 15 1HZ LYS 15 -22.029 -4.043 -5.150 112 2HZ LYS 15 2HZ LYS 15 -21.798 -3.032 -6.496 113 3HZ LYS 15 3HZ LYS 15 -21.269 -2.538 -4.958 114 H ALA 16 H ALA 16 -15.019 -0.376 -2.393 115 HA ALA 16 HA ALA 16 -15.297 2.390 -2.966 116 1HB ALA 16 1HB ALA 16 -13.420 0.757 -1.244 117 2HB ALA 16 2HB ALA 16 -14.863 1.637 -0.740 118 3HB ALA 16 3HB ALA 16 -13.413 2.521 -1.218 119 H ARG 17 H ARG 17 -13.602 3.942 -3.544 120 HA ARG 17 HA ARG 17 -11.373 2.790 -5.186 121 1HB ARG 17 1HB ARG 17 -13.433 4.916 -5.806 122 2HB ARG 17 2HB ARG 17 -11.900 4.855 -6.677 123 1HG ARG 17 1HG ARG 17 -12.518 3.009 -7.855 124 2HG ARG 17 2HG ARG 17 -13.252 2.246 -6.444 125 1HD ARG 17 1HD ARG 17 -15.319 3.331 -6.788 126 2HD ARG 17 2HD ARG 17 -14.588 4.603 -7.787 127 HE ARG 17 HE ARG 17 -14.036 2.544 -9.356 128 1HH1 ARG 17 1HH2 ARG 17 -15.833 0.819 -7.545 129 2HH1 ARG 17 2HH2 ARG 17 -17.299 0.810 -8.467 130 1HH2 ARG 17 1HH1 ARG 17 -16.361 3.469 -10.484 131 2HH2 ARG 17 2HH1 ARG 17 -17.598 2.309 -10.129 132 H ILE 18 H ILE 18 -10.168 3.259 -3.120 133 HA ILE 18 HA ILE 18 -9.733 6.166 -2.587 134 HB ILE 18 HB ILE 18 -8.899 3.681 -1.057 135 1HG1 ILE 18 1HG1 ILE 18 -11.076 5.405 -0.035 136 2HG1 ILE 18 2HG1 ILE 18 -11.477 4.483 -1.486 137 1HG2 ILE 18 1HG2 ILE 18 -8.558 6.594 -0.676 138 2HG2 ILE 18 2HG2 ILE 18 -7.616 5.253 -0.021 139 3HG2 ILE 18 3HG2 ILE 18 -9.135 5.721 0.744 140 1HD1 ILE 18 1HD1 ILE 18 -10.640 2.422 -0.342 141 2HD1 ILE 18 2HD1 ILE 18 -12.019 3.147 0.481 142 3HD1 ILE 18 3HD1 ILE 18 -10.392 3.374 1.121 143 H ILE 19 H ILE 19 -7.523 6.949 -2.401 144 HA ILE 19 HA ILE 19 -5.617 5.492 -4.171 145 HB ILE 19 HB ILE 19 -5.714 8.323 -3.074 146 1HG1 ILE 19 1HG1 ILE 19 -7.473 7.788 -4.735 147 2HG1 ILE 19 2HG1 ILE 19 -6.290 8.919 -5.392 148 1HG2 ILE 19 1HG2 ILE 19 -4.030 8.290 -5.269 149 2HG2 ILE 19 2HG2 ILE 19 -3.624 6.783 -4.444 150 3HG2 ILE 19 3HG2 ILE 19 -3.507 8.320 -3.583 151 1HD1 ILE 19 1HD1 ILE 19 -6.502 5.946 -5.919 152 2HD1 ILE 19 2HD1 ILE 19 -5.083 6.894 -6.360 153 3HD1 ILE 19 3HD1 ILE 19 -6.647 7.260 -7.086 154 H ARG 20 H ARG 20 -5.109 3.932 -2.368 155 HA ARG 20 HA ARG 20 -3.751 5.027 0.008 156 1HB ARG 20 1HB ARG 20 -4.493 2.306 -1.065 157 2HB ARG 20 2HB ARG 20 -3.429 2.460 0.334 158 1HG ARG 20 1HG ARG 20 -6.161 3.763 0.132 159 2HG ARG 20 2HG ARG 20 -5.866 2.219 0.930 160 1HD ARG 20 1HD ARG 20 -4.321 3.305 2.509 161 2HD ARG 20 2HD ARG 20 -4.537 4.852 1.670 162 HE ARG 20 HE ARG 20 -6.995 4.642 2.283 163 1HH1 ARG 20 1HH1 ARG 20 -6.288 1.769 3.371 164 2HH1 ARG 20 2HH1 ARG 20 -6.463 2.061 5.069 165 1HH2 ARG 20 1HH2 ARG 20 -6.487 5.513 4.745 166 2HH2 ARG 20 2HH2 ARG 20 -6.575 4.180 5.847 167 H TYR 21 H TYR 21 -1.523 3.890 0.514 168 HA TYR 21 HA TYR 21 0.142 4.084 -1.973 169 1HB TYR 21 1HB TYR 21 0.535 4.813 0.924 170 2HB TYR 21 2HB TYR 21 1.924 4.595 -0.141 171 HD1 TYR 21 1HD TYR 21 -0.995 6.668 0.639 172 HD2 TYR 21 2HD TYR 21 2.286 6.084 -2.068 173 HE1 TYR 21 1HE TYR 21 -1.330 8.956 -0.260 174 HE2 TYR 21 2HE TYR 21 1.952 8.369 -2.969 175 HH TYR 21 HH TYR 21 0.717 10.206 -2.902 176 H PHE 22 H PHE 22 1.641 2.471 -2.380 177 HA PHE 22 HA PHE 22 1.954 0.268 -0.387 178 1HB PHE 22 1HB PHE 22 1.372 -1.373 -2.005 179 2HB PHE 22 2HB PHE 22 0.172 -0.116 -2.212 180 HD1 PHE 22 1HD PHE 22 0.313 1.470 -4.129 181 HD2 PHE 22 2HD PHE 22 3.035 -1.826 -3.688 182 HE1 PHE 22 1HE PHE 22 1.010 1.731 -6.495 183 HE2 PHE 22 2HE PHE 22 3.737 -1.564 -6.053 184 HZ PHE 22 HZ PHE 22 2.729 0.216 -7.456 185 H TYR 23 H TYR 23 3.988 -0.828 -0.640 186 HA TYR 23 HA TYR 23 6.108 0.870 -1.741 187 1HB TYR 23 1HB TYR 23 6.216 -0.446 0.394 188 2HB TYR 23 2HB TYR 23 6.239 -1.925 -0.569 189 HD1 TYR 23 1HD TYR 23 8.292 -2.757 -1.361 190 HD2 TYR 23 2HD TYR 23 7.982 1.370 -0.216 191 HE1 TYR 23 1HE TYR 23 10.729 -2.472 -1.732 192 HE2 TYR 23 2HE TYR 23 10.418 1.659 -0.580 193 HH TYR 23 HH TYR 23 12.260 0.708 -1.497 194 H ASN 24 H ASN 24 6.267 0.869 -3.976 195 HA ASN 24 HA ASN 24 5.820 -1.541 -5.579 196 1HB ASN 24 1HB ASN 24 5.350 0.831 -6.274 197 2HB ASN 24 2HB ASN 24 7.083 1.130 -6.271 198 1HD2 ASN 24 1HD2 ASN 24 6.297 1.578 -8.710 199 2HD2 ASN 24 2HD2 ASN 24 6.446 0.255 -9.761 200 H ALA 25 H ALA 25 7.492 -2.957 -4.558 201 HA ALA 25 HA ALA 25 10.195 -2.446 -4.201 202 1HB ALA 25 1HB ALA 25 9.725 -4.977 -5.589 203 2HB ALA 25 2HB ALA 25 8.497 -4.658 -4.364 204 3HB ALA 25 3HB ALA 25 10.201 -4.697 -3.914 205 H LYS 26 H LYS 26 8.436 -2.677 -7.215 206 HA LYS 26 HA LYS 26 10.724 -3.005 -8.963 207 1HB LYS 26 1HB LYS 26 7.954 -3.056 -9.130 208 2HB LYS 26 2HB LYS 26 8.373 -1.584 -10.009 209 1HG LYS 26 1HG LYS 26 10.195 -3.123 -11.131 210 2HG LYS 26 2HG LYS 26 9.137 -4.431 -10.599 211 1HD LYS 26 1HD LYS 26 7.273 -3.506 -11.836 212 2HD LYS 26 2HD LYS 26 8.188 -2.047 -12.218 213 1HE LYS 26 1HE LYS 26 9.790 -4.206 -13.101 214 2HE LYS 26 2HE LYS 26 8.137 -4.565 -13.641 215 1HZ LYS 26 1HZ LYS 26 7.997 -2.575 -14.780 216 2HZ LYS 26 2HZ LYS 26 9.633 -2.964 -15.028 217 3HZ LYS 26 3HZ LYS 26 9.197 -1.821 -13.850 218 H ALA 27 H ALA 27 9.119 -0.264 -7.432 219 HA ALA 27 HA ALA 27 10.715 1.663 -9.048 220 1HB ALA 27 1HB ALA 27 8.810 2.836 -8.760 221 2HB ALA 27 2HB ALA 27 9.136 2.905 -7.030 222 3HB ALA 27 3HB ALA 27 8.182 1.581 -7.695 223 H GLY 28 H GLY 28 10.616 0.218 -5.853 224 1HA GLY 28 1HA GLY 28 12.529 0.239 -4.366 225 2HA GLY 28 2HA GLY 28 13.094 1.710 -5.162 226 H LEU 29 H LEU 29 9.843 2.082 -4.708 227 HA LEU 29 HA LEU 29 9.986 3.028 -1.907 228 1HB LEU 29 1HB LEU 29 9.254 5.298 -2.681 229 2HB LEU 29 2HB LEU 29 10.856 4.865 -3.274 230 HG LEU 29 HG LEU 29 8.781 3.929 -5.084 231 1HD1 LEU 29 1HD1 LEU 29 8.887 6.827 -5.380 232 2HD1 LEU 29 2HD1 LEU 29 8.142 6.359 -3.851 233 3HD1 LEU 29 3HD1 LEU 29 7.485 5.756 -5.374 234 1HD2 LEU 29 1HD2 LEU 29 11.408 4.616 -5.226 235 2HD2 LEU 29 2HD2 LEU 29 10.669 6.093 -5.844 236 3HD2 LEU 29 3HD2 LEU 29 10.350 4.550 -6.636 237 H CYS 30 H CYS 30 7.535 4.695 -2.633 238 HA CYS 30 HA CYS 30 5.634 2.403 -2.862 239 1HB CYS 30 1HB CYS 30 5.880 4.720 -1.055 240 2HB CYS 30 2HB CYS 30 4.240 4.393 -1.611 241 H GLN 31 H GLN 31 3.500 2.960 -3.721 242 HA GLN 31 HA GLN 31 3.330 5.351 -5.466 243 1HB GLN 31 1HB GLN 31 3.295 2.448 -6.347 244 2HB GLN 31 2HB GLN 31 2.668 3.754 -7.354 245 1HG GLN 31 1HG GLN 31 5.041 4.835 -6.765 246 2HG GLN 31 2HG GLN 31 5.486 3.140 -6.570 247 1HE2 GLN 31 1HE2 GLN 31 6.856 3.846 -8.602 248 2HE2 GLN 31 2HE2 GLN 31 6.114 3.623 -10.112 249 H THR 32 H THR 32 1.035 5.628 -6.211 250 HA THR 32 HA THR 32 -0.830 4.829 -4.109 251 HB THR 32 HB THR 32 -2.384 6.108 -5.796 252 HG1 THR 32 1HG THR 32 -1.342 6.339 -7.611 253 1HG2 THR 32 1HG2 THR 32 -1.729 8.148 -4.813 254 2HG2 THR 32 2HG2 THR 32 -0.033 7.670 -4.741 255 3HG2 THR 32 3HG2 THR 32 -1.205 6.935 -3.648 256 H PHE 33 H PHE 33 -2.540 3.408 -4.282 257 HA PHE 33 HA PHE 33 -3.016 2.027 -6.866 258 1HB PHE 33 1HB PHE 33 -2.568 -0.119 -5.994 259 2HB PHE 33 2HB PHE 33 -1.274 0.863 -5.329 260 HD1 PHE 33 1HD PHE 33 -4.284 -1.066 -4.580 261 HD2 PHE 33 2HD PHE 33 -1.330 1.590 -2.946 262 HE1 PHE 33 1HE PHE 33 -4.976 -1.703 -2.288 263 HE2 PHE 33 2HE PHE 33 -2.028 0.961 -0.660 264 HZ PHE 33 HZ PHE 33 -3.848 -0.690 -0.325 265 H VAL 34 H VAL 34 -5.093 0.832 -6.802 266 HA VAL 34 HA VAL 34 -7.131 2.351 -5.396 267 HB VAL 34 HB VAL 34 -7.393 -0.289 -6.860 268 1HG1 VAL 34 1HG1 VAL 34 -9.212 1.956 -6.072 269 2HG1 VAL 34 2HG1 VAL 34 -9.508 0.218 -6.054 270 3HG1 VAL 34 3HG1 VAL 34 -9.541 1.102 -7.579 271 1HG2 VAL 34 1HG2 VAL 34 -6.186 0.975 -8.418 272 2HG2 VAL 34 2HG2 VAL 34 -6.879 2.500 -7.865 273 3HG2 VAL 34 3HG2 VAL 34 -7.851 1.388 -8.829 274 H TYR 35 H TYR 35 -7.966 1.923 -3.412 275 HA TYR 35 HA TYR 35 -7.326 -0.718 -2.129 276 1HB TYR 35 1HB TYR 35 -6.259 1.190 -1.078 277 2HB TYR 35 2HB TYR 35 -7.774 2.090 -1.065 278 HD1 TYR 35 1HD TYR 35 -7.371 -1.523 -0.258 279 HD2 TYR 35 2HD TYR 35 -8.040 2.435 1.270 280 HE1 TYR 35 1HE TYR 35 -7.917 -2.474 1.971 281 HE2 TYR 35 2HE TYR 35 -8.584 1.488 3.494 282 HH TYR 35 HH TYR 35 -8.247 -0.477 4.783 283 H GLY 36 H GLY 36 -9.077 -1.811 -1.085 284 1HA GLY 36 1HA GLY 36 -11.752 -0.991 -2.015 285 2HA GLY 36 2HA GLY 36 -11.350 -2.527 -1.251 286 H ALA 37 H ALA 37 -9.967 -0.071 0.565 287 HA ALA 37 HA ALA 37 -10.631 1.005 2.578 288 1HB ALA 37 1HB ALA 37 -12.808 1.825 2.597 289 2HB ALA 37 2HB ALA 37 -13.485 0.317 1.980 290 3HB ALA 37 3HB ALA 37 -12.648 1.420 0.888 291 H CYS 38 H CYS 38 -10.892 -2.201 1.889 292 HA CYS 38 HA CYS 38 -11.481 -2.875 4.733 293 1HB CYS 38 1HB CYS 38 -12.956 -4.741 3.825 294 2HB CYS 38 2HB CYS 38 -13.599 -3.113 3.605 295 H ARG 39 H ARG 39 -10.669 -5.043 5.303 296 HA ARG 39 HA ARG 39 -8.961 -6.675 5.284 297 1HB ARG 39 1HB ARG 39 -9.550 -6.574 2.311 298 2HB ARG 39 2HB ARG 39 -8.950 -7.956 3.228 299 1HG ARG 39 1HG ARG 39 -11.291 -7.122 4.555 300 2HG ARG 39 2HG ARG 39 -11.680 -7.077 2.834 301 1HD ARG 39 1HD ARG 39 -11.184 -9.380 2.554 302 2HD ARG 39 2HD ARG 39 -10.265 -9.452 4.070 303 HE ARG 39 HE ARG 39 -12.646 -8.766 5.061 304 1HH1 ARG 39 1HH1 ARG 39 -13.628 -9.515 2.190 305 2HH1 ARG 39 2HH1 ARG 39 -14.286 -11.086 2.505 306 1HH2 ARG 39 1HH2 ARG 39 -12.754 -11.394 5.601 307 2HH2 ARG 39 2HH2 ARG 39 -13.791 -12.149 4.438 308 H ALA 40 H ALA 40 -8.116 -3.835 4.942 309 HA ALA 40 HA ALA 40 -6.136 -3.520 2.922 310 1HB ALA 40 1HB ALA 40 -7.049 -2.249 5.365 311 2HB ALA 40 2HB ALA 40 -6.309 -1.514 3.943 312 3HB ALA 40 3HB ALA 40 -5.292 -2.154 5.233 313 H LYS 41 H LYS 41 -3.956 -4.093 2.843 314 HA LYS 41 HA LYS 41 -3.033 -6.059 4.896 315 1HB LYS 41 1HB LYS 41 -1.854 -5.406 2.183 316 2HB LYS 41 2HB LYS 41 -1.610 -6.871 3.137 317 1HG LYS 41 1HG LYS 41 -4.387 -6.676 2.854 318 2HG LYS 41 2HG LYS 41 -3.753 -6.217 1.273 319 1HD LYS 41 1HD LYS 41 -3.755 -8.500 0.984 320 2HD LYS 41 2HD LYS 41 -2.176 -8.345 1.757 321 1HE LYS 41 1HE LYS 41 -2.908 -9.312 3.714 322 2HE LYS 41 2HE LYS 41 -4.522 -8.585 3.585 323 1HZ LYS 41 1HZ LYS 41 -4.695 -10.924 3.124 324 2HZ LYS 41 2HZ LYS 41 -3.429 -10.853 1.992 325 3HZ LYS 41 3HZ LYS 41 -4.910 -10.090 1.663 326 H ARG 42 H ARG 42 -0.325 -5.888 4.691 327 HA ARG 42 HA ARG 42 0.303 -3.466 6.164 328 1HB ARG 42 1HB ARG 42 2.351 -5.272 4.884 329 2HB ARG 42 2HB ARG 42 2.407 -4.476 6.454 330 1HG ARG 42 1HG ARG 42 0.406 -5.979 7.087 331 2HG ARG 42 2HG ARG 42 0.823 -6.920 5.655 332 1HD ARG 42 1HD ARG 42 3.281 -6.609 6.870 333 2HD ARG 42 2HD ARG 42 2.187 -6.785 8.258 334 HE ARG 42 HE ARG 42 2.292 -8.717 5.960 335 1HH1 ARG 42 1HH1 ARG 42 0.007 -8.454 8.101 336 2HH1 ARG 42 2HH1 ARG 42 0.401 -9.809 9.105 337 1HH2 ARG 42 1HH2 ARG 42 3.567 -10.226 7.752 338 2HH2 ARG 42 2HH2 ARG 42 2.418 -10.813 8.908 339 H ASN 43 H ASN 43 0.461 -4.417 2.797 340 HA ASN 43 HA ASN 43 2.168 -2.094 2.092 341 1HB ASN 43 1HB ASN 43 2.081 -4.592 1.153 342 2HB ASN 43 2HB ASN 43 0.856 -3.892 0.092 343 1HD2 ASN 43 1HD2 ASN 43 3.338 -4.762 -0.996 344 2HD2 ASN 43 2HD2 ASN 43 4.227 -3.405 -1.493 345 H ASN 44 H ASN 44 -0.070 -1.103 3.193 346 HA ASN 44 HA ASN 44 -1.441 0.182 0.909 347 1HB ASN 44 1HB ASN 44 -2.809 -1.774 1.281 348 2HB ASN 44 2HB ASN 44 -2.759 -1.546 3.028 349 1HD2 ASN 44 1HD2 ASN 44 -5.280 -1.701 2.219 350 2HD2 ASN 44 2HD2 ASN 44 -6.028 -0.174 2.058 351 H PHE 45 H PHE 45 0.091 1.765 2.114 352 HA PHE 45 HA PHE 45 -0.909 2.747 4.711 353 1HB PHE 45 1HB PHE 45 1.236 3.928 2.932 354 2HB PHE 45 2HB PHE 45 1.098 4.043 4.685 355 HD1 PHE 45 1HD PHE 45 1.676 2.138 6.132 356 HD2 PHE 45 2HD PHE 45 2.075 1.901 1.859 357 HE1 PHE 45 1HE PHE 45 3.056 0.088 6.373 358 HE2 PHE 45 2HE PHE 45 3.452 -0.149 2.098 359 HZ PHE 45 HZ PHE 45 3.940 -1.068 4.355 360 H LYS 46 H LYS 46 -1.904 4.780 4.999 361 HA LYS 46 HA LYS 46 -3.421 5.811 2.737 362 1HB LYS 46 1HB LYS 46 -4.378 5.717 4.958 363 2HB LYS 46 2HB LYS 46 -3.045 6.666 5.619 364 1HG LYS 46 1HG LYS 46 -3.738 8.515 4.003 365 2HG LYS 46 2HG LYS 46 -5.197 7.575 3.693 366 1HD LYS 46 1HD LYS 46 -4.393 8.201 6.522 367 2HD LYS 46 2HD LYS 46 -5.234 9.417 5.557 368 1HE LYS 46 1HE LYS 46 -6.924 7.496 5.029 369 2HE LYS 46 2HE LYS 46 -6.212 6.702 6.448 370 1HZ LYS 46 1HZ LYS 46 -7.672 9.255 6.259 371 2HZ LYS 46 2HZ LYS 46 -6.480 9.079 7.460 372 3HZ LYS 46 3HZ LYS 46 -7.812 8.025 7.419 373 H SER 47 H SER 47 -0.363 6.564 4.177 374 HA SER 47 HA SER 47 -0.179 8.965 2.399 375 1HB SER 47 1HB SER 47 0.902 10.170 4.230 376 2HB SER 47 2HB SER 47 -0.666 9.581 4.762 377 HG SER 47 HG SER 47 1.637 9.107 5.885 378 H ALA 48 H ALA 48 1.953 9.393 1.650 379 HA ALA 48 HA ALA 48 3.615 7.092 1.200 380 1HB ALA 48 1HB ALA 48 5.200 9.057 0.462 381 2HB ALA 48 2HB ALA 48 3.790 10.067 0.787 382 3HB ALA 48 3HB ALA 48 3.698 8.783 -0.421 383 H GLU 49 H GLU 49 3.564 9.569 3.681 384 HA GLU 49 HA GLU 49 6.262 9.124 4.664 385 1HB GLU 49 1HB GLU 49 3.813 10.635 5.363 386 2HB GLU 49 2HB GLU 49 4.824 10.194 6.740 387 1HG GLU 49 1HG GLU 49 5.602 12.332 5.943 388 2HG GLU 49 2HG GLU 49 6.800 11.131 5.459 389 H ASP 50 H ASP 50 3.229 7.496 5.015 390 HA ASP 50 HA ASP 50 3.930 6.140 7.529 391 1HB ASP 50 1HB ASP 50 1.602 6.771 6.783 392 2HB ASP 50 2HB ASP 50 1.752 5.585 5.486 393 H CYS 51 H CYS 51 4.087 5.601 4.075 394 HA CYS 51 HA CYS 51 4.642 2.746 4.149 395 1HB CYS 51 1HB CYS 51 3.837 3.568 2.111 396 2HB CYS 51 2HB CYS 51 4.786 5.049 2.212 397 H MET 52 H MET 52 6.668 5.695 3.812 398 HA MET 52 HA MET 52 9.190 4.391 3.567 399 1HB MET 52 1HB MET 52 8.120 6.993 3.703 400 2HB MET 52 2HB MET 52 9.309 6.910 5.005 401 1HG MET 52 1HG MET 52 10.896 7.235 3.429 402 2HG MET 52 2HG MET 52 10.532 5.612 2.843 403 1HE MET 52 1HE MET 52 9.984 6.360 -0.642 404 2HE MET 52 2HE MET 52 9.638 5.103 0.543 405 3HE MET 52 3HE MET 52 11.197 5.923 0.570 406 H ARG 53 H ARG 53 7.734 5.868 6.514 407 HA ARG 53 HA ARG 53 9.721 5.105 8.357 408 1HB ARG 53 1HB ARG 53 7.530 6.517 8.553 409 2HB ARG 53 2HB ARG 53 6.777 4.981 8.990 410 1HG ARG 53 1HG ARG 53 8.670 4.730 10.708 411 2HG ARG 53 2HG ARG 53 9.030 6.429 10.401 412 1HD ARG 53 1HD ARG 53 6.347 5.337 11.334 413 2HD ARG 53 2HD ARG 53 7.513 6.223 12.338 414 HE ARG 53 HE ARG 53 6.290 7.410 9.863 415 1HH1 ARG 53 1HH1 ARG 53 6.308 7.413 13.239 416 2HH1 ARG 53 2HH1 ARG 53 6.407 9.134 13.405 417 1HH2 ARG 53 1HH2 ARG 53 6.863 9.698 10.013 418 2HH2 ARG 53 2HH2 ARG 53 6.722 10.430 11.577 419 H THR 54 H THR 54 7.457 3.107 6.657 420 HA THR 54 HA THR 54 7.821 0.832 8.541 421 HB THR 54 HB THR 54 6.132 1.319 6.066 422 HG1 THR 54 1HG THR 54 5.173 2.345 7.682 423 1HG2 THR 54 1HG2 THR 54 5.485 -0.964 7.809 424 2HG2 THR 54 2HG2 THR 54 6.997 -1.143 6.918 425 3HG2 THR 54 3HG2 THR 54 5.488 -0.856 6.049 426 H CYS 55 H CYS 55 7.992 1.311 4.991 427 HA CYS 55 HA CYS 55 10.160 -0.760 4.892 428 1HB CYS 55 1HB CYS 55 8.241 0.220 2.742 429 2HB CYS 55 2HB CYS 55 9.328 -1.164 2.623 430 H GLY 56 H GLY 56 9.075 2.170 3.117 431 1HA GLY 56 1HA GLY 56 10.319 3.864 2.075 432 2HA GLY 56 2HA GLY 56 11.436 3.674 3.426 433 H GLY 57 H GLY 57 12.451 4.326 0.955 434 1HA GLY 57 1HA GLY 57 13.163 2.320 -0.848 435 2HA GLY 57 2HA GLY 57 14.228 3.664 -0.430 436 H ALA 58 H ALA 58 15.917 3.293 1.050 437 HA ALA 58 HA ALA 58 16.179 1.084 2.808 438 1HB ALA 58 1HB ALA 58 16.126 -0.480 1.101 439 2HB ALA 58 2HB ALA 58 17.856 -0.133 1.116 440 3HB ALA 58 3HB ALA 58 16.812 0.637 -0.080 Start of MODEL 15 1 1H ARG 1 1H ARG 1 15.133 -5.109 4.550 2 2H ARG 1 2H ARG 1 14.393 -6.567 5.008 3 3H ARG 1 3H ARG 1 14.625 -5.333 6.152 4 HA ARG 1 HA ARG 1 12.866 -4.097 5.413 5 1HB ARG 1 1HB ARG 1 14.084 -4.988 2.920 6 2HB ARG 1 2HB ARG 1 12.325 -4.966 2.801 7 1HG ARG 1 1HG ARG 1 12.612 -2.611 3.995 8 2HG ARG 1 2HG ARG 1 14.227 -2.704 3.291 9 1HD ARG 1 1HD ARG 1 11.566 -2.793 1.825 10 2HD ARG 1 2HD ARG 1 12.875 -1.609 1.635 11 HE ARG 1 HE ARG 1 12.980 -4.466 0.756 12 1HH1 ARG 1 1HH2 ARG 1 13.253 -1.626 -0.692 13 2HH1 ARG 1 2HH2 ARG 1 14.909 -1.749 -1.184 14 1HH2 ARG 1 1HH1 ARG 1 15.577 -4.493 0.828 15 2HH2 ARG 1 2HH1 ARG 1 16.226 -3.373 -0.322 16 HA PRO 2 HA PRO 2 9.864 -7.215 6.261 17 1HB PRO 2 1HB PRO 2 7.597 -5.818 5.629 18 2HB PRO 2 2HB PRO 2 8.516 -5.554 7.122 19 1HG PRO 2 1HG PRO 2 8.552 -4.031 4.553 20 2HG PRO 2 2HG PRO 2 8.562 -3.417 6.213 21 1HD PRO 2 1HD PRO 2 10.791 -3.558 4.680 22 2HD PRO 2 2HD PRO 2 10.835 -3.772 6.446 23 H ASP 3 H ASP 3 8.188 -8.496 5.155 24 HA ASP 3 HA ASP 3 8.755 -8.728 2.266 25 1HB ASP 3 1HB ASP 3 8.377 -10.495 4.315 26 2HB ASP 3 2HB ASP 3 6.762 -10.465 3.606 27 H PHE 4 H PHE 4 6.204 -7.607 4.427 28 HA PHE 4 HA PHE 4 4.069 -7.769 2.485 29 1HB PHE 4 1HB PHE 4 2.838 -6.404 4.062 30 2HB PHE 4 2HB PHE 4 3.780 -7.596 4.945 31 HD1 PHE 4 1HD PHE 4 5.543 -6.966 6.430 32 HD2 PHE 4 2HD PHE 4 3.581 -3.993 4.016 33 HE1 PHE 4 1HE PHE 4 6.572 -5.166 7.793 34 HE2 PHE 4 2HE PHE 4 4.619 -2.214 5.379 35 HZ PHE 4 HZ PHE 4 6.101 -2.790 7.258 36 H CYS 5 H CYS 5 6.713 -5.553 2.808 37 HA CYS 5 HA CYS 5 5.373 -3.391 1.324 38 1HB CYS 5 1HB CYS 5 8.222 -3.938 2.216 39 2HB CYS 5 2HB CYS 5 7.741 -2.465 1.373 40 H LEU 6 H LEU 6 7.311 -6.214 0.655 41 HA LEU 6 HA LEU 6 8.049 -5.411 -2.067 42 1HB LEU 6 1HB LEU 6 8.037 -8.185 -0.854 43 2HB LEU 6 2HB LEU 6 9.110 -7.553 -2.103 44 HG LEU 6 HG LEU 6 9.060 -6.833 0.837 45 1HD1 LEU 6 1HD1 LEU 6 11.044 -7.963 0.976 46 2HD1 LEU 6 2HD1 LEU 6 11.544 -7.490 -0.648 47 3HD1 LEU 6 3HD1 LEU 6 10.402 -8.816 -0.428 48 1HD2 LEU 6 1HD2 LEU 6 10.091 -5.341 -1.536 49 2HD2 LEU 6 2HD2 LEU 6 11.107 -5.376 -0.096 50 3HD2 LEU 6 3HD2 LEU 6 9.472 -4.723 -0.006 51 H GLU 7 H GLU 7 5.378 -6.996 -0.489 52 HA GLU 7 HA GLU 7 4.329 -8.377 -2.820 53 1HB GLU 7 1HB GLU 7 3.172 -7.459 -0.169 54 2HB GLU 7 2HB GLU 7 2.285 -8.461 -1.316 55 1HG GLU 7 1HG GLU 7 5.034 -9.296 -0.437 56 2HG GLU 7 2HG GLU 7 3.655 -9.602 0.618 57 HA PRO 8 HA PRO 8 2.429 -4.986 -4.859 58 1HB PRO 8 1HB PRO 8 0.197 -6.201 -5.899 59 2HB PRO 8 2HB PRO 8 1.833 -6.443 -6.549 60 1HG PRO 8 1HG PRO 8 0.237 -8.162 -4.694 61 2HG PRO 8 2HG PRO 8 1.253 -8.632 -6.069 62 1HD PRO 8 1HD PRO 8 2.069 -8.817 -3.480 63 2HD PRO 8 2HD PRO 8 3.191 -8.508 -4.824 64 HA PRO 9 HA PRO 9 -0.666 -3.269 -2.283 65 1HB PRO 9 1HB PRO 9 -2.243 -1.897 -4.065 66 2HB PRO 9 2HB PRO 9 -0.630 -1.351 -3.564 67 1HG PRO 9 1HG PRO 9 -1.484 -2.776 -6.044 68 2HG PRO 9 2HG PRO 9 -0.303 -1.471 -5.841 69 1HD PRO 9 1HD PRO 9 0.379 -4.100 -6.142 70 2HD PRO 9 2HD PRO 9 1.376 -2.925 -5.251 71 H TYR 10 H TYR 10 -2.974 -3.449 -1.701 72 HA TYR 10 HA TYR 10 -4.359 -5.692 -3.151 73 1HB TYR 10 1HB TYR 10 -3.271 -6.065 -0.846 74 2HB TYR 10 2HB TYR 10 -4.557 -5.039 -0.209 75 HD1 TYR 10 1HD TYR 10 -3.857 -8.175 -2.078 76 HD2 TYR 10 2HD TYR 10 -6.793 -5.843 0.016 77 HE1 TYR 10 1HE TYR 10 -5.415 -10.104 -2.117 78 HE2 TYR 10 2HE TYR 10 -8.353 -7.772 -0.025 79 HH TYR 10 HH TYR 10 -8.614 -9.911 -0.555 80 H THR 11 H THR 11 -5.716 -4.316 -4.374 81 HA THR 11 HA THR 11 -7.244 -2.136 -3.300 82 HB THR 11 HB THR 11 -7.335 -3.971 -5.685 83 HG1 THR 11 1HG THR 11 -7.224 -1.825 -6.669 84 1HG2 THR 11 1HG2 THR 11 -9.668 -3.762 -5.319 85 2HG2 THR 11 2HG2 THR 11 -9.284 -2.503 -6.494 86 3HG2 THR 11 3HG2 THR 11 -9.517 -2.084 -4.797 87 H GLY 12 H GLY 12 -7.508 -5.593 -3.159 88 1HA GLY 12 1HA GLY 12 -9.044 -6.985 -2.048 89 2HA GLY 12 2HA GLY 12 -9.540 -5.554 -1.140 90 HA PRO 13 HA PRO 13 -12.791 -6.863 -4.276 91 1HB PRO 13 1HB PRO 13 -14.665 -7.800 -2.508 92 2HB PRO 13 2HB PRO 13 -13.428 -8.832 -3.251 93 1HG PRO 13 1HG PRO 13 -13.518 -7.612 -0.532 94 2HG PRO 13 2HG PRO 13 -12.942 -9.209 -1.033 95 1HD PRO 13 1HD PRO 13 -11.304 -7.077 -0.481 96 2HD PRO 13 2HD PRO 13 -10.862 -8.415 -1.567 97 H CYS 14 H CYS 14 -14.683 -6.311 -1.396 98 HA CYS 14 HA CYS 14 -16.227 -4.552 -0.966 99 1HB CYS 14 1HB CYS 14 -13.419 -3.552 -1.132 100 2HB CYS 14 2HB CYS 14 -14.695 -2.347 -0.965 101 H LYS 15 H LYS 15 -16.258 -1.898 -1.872 102 HA LYS 15 HA LYS 15 -16.367 -2.072 -4.850 103 1HB LYS 15 1HB LYS 15 -18.677 -0.748 -4.337 104 2HB LYS 15 2HB LYS 15 -18.605 -2.496 -4.536 105 1HG LYS 15 1HG LYS 15 -18.618 -2.865 -2.180 106 2HG LYS 15 2HG LYS 15 -18.266 -1.171 -1.837 107 1HD LYS 15 1HD LYS 15 -20.697 -1.889 -1.512 108 2HD LYS 15 2HD LYS 15 -20.446 -0.484 -2.548 109 1HE LYS 15 1HE LYS 15 -20.521 -2.036 -4.542 110 2HE LYS 15 2HE LYS 15 -20.980 -3.343 -3.433 111 1HZ LYS 15 1HZ LYS 15 -22.920 -2.218 -2.819 112 2HZ LYS 15 2HZ LYS 15 -22.846 -1.968 -4.499 113 3HZ LYS 15 3HZ LYS 15 -22.379 -0.731 -3.431 114 H ALA 16 H ALA 16 -15.104 -0.497 -2.326 115 HA ALA 16 HA ALA 16 -15.669 2.275 -3.218 116 1HB ALA 16 1HB ALA 16 -14.101 2.704 -1.218 117 2HB ALA 16 2HB ALA 16 -14.165 0.963 -0.945 118 3HB ALA 16 3HB ALA 16 -15.641 1.924 -0.859 119 H ARG 17 H ARG 17 -13.587 3.707 -3.339 120 HA ARG 17 HA ARG 17 -11.243 2.270 -4.463 121 1HB ARG 17 1HB ARG 17 -13.328 3.734 -5.945 122 2HB ARG 17 2HB ARG 17 -11.683 4.225 -6.350 123 1HG ARG 17 1HG ARG 17 -11.949 2.436 -7.804 124 2HG ARG 17 2HG ARG 17 -11.281 1.598 -6.404 125 1HD ARG 17 1HD ARG 17 -13.175 0.364 -6.225 126 2HD ARG 17 2HD ARG 17 -14.153 1.843 -6.115 127 HE ARG 17 HE ARG 17 -13.497 0.359 -8.603 128 1HH1 ARG 17 1HH2 ARG 17 -16.294 1.071 -7.956 129 2HH1 ARG 17 2HH2 ARG 17 -16.562 2.488 -8.916 130 1HH2 ARG 17 1HH1 ARG 17 -13.189 3.083 -9.456 131 2HH2 ARG 17 2HH1 ARG 17 -14.804 3.627 -9.765 132 H ILE 18 H ILE 18 -10.315 3.261 -2.464 133 HA ILE 18 HA ILE 18 -10.065 6.223 -2.495 134 HB ILE 18 HB ILE 18 -8.980 4.188 -0.526 135 1HG1 ILE 18 1HG1 ILE 18 -11.253 5.237 0.612 136 2HG1 ILE 18 2HG1 ILE 18 -11.740 5.074 -1.075 137 1HG2 ILE 18 1HG2 ILE 18 -8.028 6.278 -0.036 138 2HG2 ILE 18 2HG2 ILE 18 -9.461 6.261 0.990 139 3HG2 ILE 18 3HG2 ILE 18 -9.475 7.159 -0.527 140 1HD1 ILE 18 1HD1 ILE 18 -12.182 2.916 -0.501 141 2HD1 ILE 18 2HD1 ILE 18 -11.156 2.987 0.931 142 3HD1 ILE 18 3HD1 ILE 18 -10.439 2.700 -0.654 143 H ILE 19 H ILE 19 -7.825 7.118 -2.160 144 HA ILE 19 HA ILE 19 -5.875 5.661 -3.883 145 HB ILE 19 HB ILE 19 -5.905 8.519 -2.863 146 1HG1 ILE 19 1HG1 ILE 19 -7.907 8.215 -4.158 147 2HG1 ILE 19 2HG1 ILE 19 -6.738 8.996 -5.221 148 1HG2 ILE 19 1HG2 ILE 19 -4.634 8.315 -5.356 149 2HG2 ILE 19 2HG2 ILE 19 -4.052 6.928 -4.436 150 3HG2 ILE 19 3HG2 ILE 19 -3.852 8.557 -3.794 151 1HD1 ILE 19 1HD1 ILE 19 -7.430 7.292 -6.619 152 2HD1 ILE 19 2HD1 ILE 19 -7.796 6.203 -5.281 153 3HD1 ILE 19 3HD1 ILE 19 -6.123 6.454 -5.781 154 H ARG 20 H ARG 20 -5.081 4.190 -2.214 155 HA ARG 20 HA ARG 20 -3.812 5.425 0.176 156 1HB ARG 20 1HB ARG 20 -4.340 2.586 -0.749 157 2HB ARG 20 2HB ARG 20 -3.496 2.976 0.750 158 1HG ARG 20 1HG ARG 20 -6.122 4.309 0.238 159 2HG ARG 20 2HG ARG 20 -6.142 2.606 0.696 160 1HD ARG 20 1HD ARG 20 -5.345 3.043 2.827 161 2HD ARG 20 2HD ARG 20 -4.394 4.444 2.290 162 HE ARG 20 HE ARG 20 -6.516 5.719 2.171 163 1HH1 ARG 20 1HH2 ARG 20 -6.148 3.898 4.814 164 2HH1 ARG 20 2HH2 ARG 20 -7.825 3.607 5.138 165 1HH2 ARG 20 1HH1 ARG 20 -8.897 4.791 2.062 166 2HH2 ARG 20 2HH1 ARG 20 -9.381 4.114 3.580 167 H TYR 21 H TYR 21 -1.564 4.264 0.694 168 HA TYR 21 HA TYR 21 0.083 4.427 -1.809 169 1HB TYR 21 1HB TYR 21 0.490 5.256 1.059 170 2HB TYR 21 2HB TYR 21 1.870 5.032 -0.016 171 HD1 TYR 21 1HD TYR 21 -1.128 7.036 0.688 172 HD2 TYR 21 2HD TYR 21 2.230 6.503 -1.937 173 HE1 TYR 21 1HE TYR 21 -1.522 9.288 -0.272 174 HE2 TYR 21 2HE TYR 21 1.833 8.754 -2.900 175 HH TYR 21 HH TYR 21 0.643 10.625 -2.768 176 H PHE 22 H PHE 22 1.806 2.927 -2.047 177 HA PHE 22 HA PHE 22 2.112 0.777 -0.023 178 1HB PHE 22 1HB PHE 22 1.438 -0.942 -1.489 179 2HB PHE 22 2HB PHE 22 0.268 0.325 -1.800 180 HD1 PHE 22 1HD PHE 22 0.379 1.682 -3.858 181 HD2 PHE 22 2HD PHE 22 3.140 -1.526 -3.119 182 HE1 PHE 22 1HE PHE 22 1.061 1.721 -6.242 183 HE2 PHE 22 2HE PHE 22 3.825 -1.487 -5.502 184 HZ PHE 22 HZ PHE 22 2.788 0.138 -7.064 185 H TYR 23 H TYR 23 4.084 -0.491 -0.441 186 HA TYR 23 HA TYR 23 6.200 1.173 -1.683 187 1HB TYR 23 1HB TYR 23 6.454 0.146 0.546 188 2HB TYR 23 2HB TYR 23 6.255 -1.457 -0.164 189 HD1 TYR 23 1HD TYR 23 8.183 -2.639 -0.741 190 HD2 TYR 23 2HD TYR 23 8.312 1.653 -0.655 191 HE1 TYR 23 1HE TYR 23 10.601 -2.704 -1.279 192 HE2 TYR 23 2HE TYR 23 10.733 1.589 -1.196 193 HH TYR 23 HH TYR 23 12.274 -1.078 -2.402 194 H ASN 24 H ASN 24 6.325 0.907 -3.924 195 HA ASN 24 HA ASN 24 5.811 -1.704 -5.185 196 1HB ASN 24 1HB ASN 24 5.152 0.464 -6.194 197 2HB ASN 24 2HB ASN 24 6.846 0.943 -6.263 198 1HD2 ASN 24 1HD2 ASN 24 5.527 0.861 -8.696 199 2HD2 ASN 24 2HD2 ASN 24 6.008 -0.498 -9.592 200 H ALA 25 H ALA 25 7.561 -3.007 -4.269 201 HA ALA 25 HA ALA 25 10.274 -2.419 -4.087 202 1HB ALA 25 1HB ALA 25 10.580 -4.860 -4.457 203 2HB ALA 25 2HB ALA 25 8.944 -4.954 -5.107 204 3HB ALA 25 3HB ALA 25 9.197 -4.535 -3.412 205 H LYS 26 H LYS 26 8.348 -2.837 -6.969 206 HA LYS 26 HA LYS 26 10.575 -3.210 -8.808 207 1HB LYS 26 1HB LYS 26 7.756 -3.337 -8.793 208 2HB LYS 26 2HB LYS 26 8.163 -2.068 -9.948 209 1HG LYS 26 1HG LYS 26 10.014 -4.057 -10.512 210 2HG LYS 26 2HG LYS 26 8.547 -4.966 -10.147 211 1HD LYS 26 1HD LYS 26 7.985 -4.523 -12.305 212 2HD LYS 26 2HD LYS 26 7.576 -2.916 -11.704 213 1HE LYS 26 1HE LYS 26 10.067 -2.333 -12.113 214 2HE LYS 26 2HE LYS 26 10.113 -3.816 -13.086 215 1HZ LYS 26 1HZ LYS 26 9.278 -2.482 -14.686 216 2HZ LYS 26 2HZ LYS 26 8.745 -1.304 -13.584 217 3HZ LYS 26 3HZ LYS 26 7.804 -2.687 -13.874 218 H ALA 27 H ALA 27 8.921 -0.472 -7.361 219 HA ALA 27 HA ALA 27 10.196 1.440 -9.248 220 1HB ALA 27 1HB ALA 27 8.530 2.865 -8.547 221 2HB ALA 27 2HB ALA 27 8.622 2.311 -6.874 222 3HB ALA 27 3HB ALA 27 7.761 1.349 -8.077 223 H GLY 28 H GLY 28 10.459 0.283 -5.931 224 1HA GLY 28 1HA GLY 28 12.561 0.443 -4.717 225 2HA GLY 28 2HA GLY 28 12.953 1.884 -5.654 226 H LEU 29 H LEU 29 9.866 2.479 -5.025 227 HA LEU 29 HA LEU 29 10.262 3.421 -2.227 228 1HB LEU 29 1HB LEU 29 9.605 5.669 -2.900 229 2HB LEU 29 2HB LEU 29 10.955 5.156 -3.910 230 HG LEU 29 HG LEU 29 8.184 4.572 -4.877 231 1HD1 LEU 29 1HD1 LEU 29 9.453 7.267 -5.343 232 2HD1 LEU 29 2HD1 LEU 29 8.342 7.000 -4.002 233 3HD1 LEU 29 3HD1 LEU 29 7.793 6.766 -5.661 234 1HD2 LEU 29 1HD2 LEU 29 10.447 3.961 -5.996 235 2HD2 LEU 29 2HD2 LEU 29 10.547 5.674 -6.399 236 3HD2 LEU 29 3HD2 LEU 29 9.207 4.701 -7.006 237 H CYS 30 H CYS 30 7.805 5.059 -2.578 238 HA CYS 30 HA CYS 30 5.817 2.820 -2.595 239 1HB CYS 30 1HB CYS 30 6.012 5.411 -1.036 240 2HB CYS 30 2HB CYS 30 4.580 4.383 -1.017 241 H GLN 31 H GLN 31 3.686 3.346 -3.425 242 HA GLN 31 HA GLN 31 3.455 5.852 -5.022 243 1HB GLN 31 1HB GLN 31 3.487 2.998 -5.976 244 2HB GLN 31 2HB GLN 31 2.540 4.198 -6.856 245 1HG GLN 31 1HG GLN 31 4.448 5.471 -7.403 246 2HG GLN 31 2HG GLN 31 5.421 4.725 -6.134 247 1HE2 GLN 31 1HE2 GLN 31 6.982 4.246 -7.986 248 2HE2 GLN 31 2HE2 GLN 31 6.699 2.873 -8.943 249 H THR 32 H THR 32 1.077 5.762 -6.055 250 HA THR 32 HA THR 32 -0.737 5.120 -3.794 251 HB THR 32 HB THR 32 -2.299 6.479 -5.384 252 HG1 THR 32 1HG THR 32 -1.337 7.459 -7.030 253 1HG2 THR 32 1HG2 THR 32 -1.111 7.277 -3.282 254 2HG2 THR 32 2HG2 THR 32 -1.473 8.531 -4.469 255 3HG2 THR 32 3HG2 THR 32 0.164 7.887 -4.337 256 H PHE 33 H PHE 33 -2.482 3.714 -4.017 257 HA PHE 33 HA PHE 33 -2.908 2.383 -6.647 258 1HB PHE 33 1HB PHE 33 -2.486 0.228 -5.771 259 2HB PHE 33 2HB PHE 33 -1.202 1.212 -5.078 260 HD1 PHE 33 1HD PHE 33 -1.277 1.899 -2.696 261 HD2 PHE 33 2HD PHE 33 -4.277 -0.660 -4.403 262 HE1 PHE 33 1HE PHE 33 -2.038 1.281 -0.427 263 HE2 PHE 33 2HE PHE 33 -5.033 -1.287 -2.126 264 HZ PHE 33 HZ PHE 33 -3.915 -0.316 -0.137 265 H VAL 34 H VAL 34 -4.956 1.067 -6.587 266 HA VAL 34 HA VAL 34 -7.088 2.565 -5.293 267 HB VAL 34 HB VAL 34 -6.934 0.009 -6.918 268 1HG1 VAL 34 1HG1 VAL 34 -9.332 0.043 -7.075 269 2HG1 VAL 34 2HG1 VAL 34 -9.424 1.588 -6.229 270 3HG1 VAL 34 3HG1 VAL 34 -8.935 0.133 -5.360 271 1HG2 VAL 34 1HG2 VAL 34 -7.211 1.343 -8.754 272 2HG2 VAL 34 2HG2 VAL 34 -6.544 2.590 -7.701 273 3HG2 VAL 34 3HG2 VAL 34 -8.289 2.452 -7.906 274 H TYR 35 H TYR 35 -8.046 2.105 -3.339 275 HA TYR 35 HA TYR 35 -7.239 -0.438 -1.959 276 1HB TYR 35 1HB TYR 35 -6.447 1.641 -0.938 277 2HB TYR 35 2HB TYR 35 -8.083 2.299 -0.946 278 HD1 TYR 35 1HD TYR 35 -7.276 -1.234 -0.209 279 HD2 TYR 35 2HD TYR 35 -8.302 2.596 1.444 280 HE1 TYR 35 1HE TYR 35 -7.702 -2.297 1.990 281 HE2 TYR 35 2HE TYR 35 -8.728 1.532 3.645 282 HH TYR 35 HH TYR 35 -8.827 -0.372 4.775 283 H GLY 36 H GLY 36 -8.918 -1.685 -0.967 284 1HA GLY 36 1HA GLY 36 -11.655 -1.041 -1.931 285 2HA GLY 36 2HA GLY 36 -11.110 -2.629 -1.395 286 H ALA 37 H ALA 37 -9.917 -0.421 0.801 287 HA ALA 37 HA ALA 37 -10.661 0.313 2.934 288 1HB ALA 37 1HB ALA 37 -12.703 1.251 2.729 289 2HB ALA 37 2HB ALA 37 -13.462 -0.339 2.676 290 3HB ALA 37 3HB ALA 37 -12.889 0.413 1.188 291 H CYS 38 H CYS 38 -10.795 -2.805 1.789 292 HA CYS 38 HA CYS 38 -11.173 -3.866 4.539 293 1HB CYS 38 1HB CYS 38 -12.797 -5.549 3.635 294 2HB CYS 38 2HB CYS 38 -13.398 -3.893 3.541 295 H ARG 39 H ARG 39 -10.676 -6.324 4.503 296 HA ARG 39 HA ARG 39 -8.908 -7.883 4.177 297 1HB ARG 39 1HB ARG 39 -10.179 -7.234 1.521 298 2HB ARG 39 2HB ARG 39 -8.896 -8.440 1.619 299 1HG ARG 39 1HG ARG 39 -10.482 -9.929 2.220 300 2HG ARG 39 2HG ARG 39 -10.612 -9.056 3.746 301 1HD ARG 39 1HD ARG 39 -12.227 -7.471 2.453 302 2HD ARG 39 2HD ARG 39 -12.320 -8.788 1.268 303 HE ARG 39 HE ARG 39 -12.997 -9.083 4.178 304 1HH1 ARG 39 1HH1 ARG 39 -15.077 -8.939 1.928 305 2HH1 ARG 39 2HH1 ARG 39 -15.454 -10.618 1.728 306 1HH2 ARG 39 1HH2 ARG 39 -12.668 -11.722 3.473 307 2HH2 ARG 39 2HH2 ARG 39 -14.089 -12.195 2.605 308 H ALA 40 H ALA 40 -8.106 -5.003 4.198 309 HA ALA 40 HA ALA 40 -6.128 -4.555 2.130 310 1HB ALA 40 1HB ALA 40 -7.436 -3.147 4.155 311 2HB ALA 40 2HB ALA 40 -6.196 -2.502 3.082 312 3HB ALA 40 3HB ALA 40 -5.746 -3.149 4.659 313 H LYS 41 H LYS 41 -3.803 -4.509 2.458 314 HA LYS 41 HA LYS 41 -2.854 -6.495 4.492 315 1HB LYS 41 1HB LYS 41 -1.533 -5.558 1.926 316 2HB LYS 41 2HB LYS 41 -1.099 -6.969 2.892 317 1HG LYS 41 1HG LYS 41 -3.384 -7.904 2.429 318 2HG LYS 41 2HG LYS 41 -3.672 -6.545 1.341 319 1HD LYS 41 1HD LYS 41 -2.678 -7.745 -0.291 320 2HD LYS 41 2HD LYS 41 -1.162 -7.588 0.598 321 1HE LYS 41 1HE LYS 41 -2.225 -9.616 2.003 322 2HE LYS 41 2HE LYS 41 -3.051 -9.901 0.458 323 1HZ LYS 41 1HZ LYS 41 -0.143 -9.742 1.010 324 2HZ LYS 41 2HZ LYS 41 -0.754 -9.497 -0.557 325 3HZ LYS 41 3HZ LYS 41 -1.000 -10.982 0.232 326 H ARG 42 H ARG 42 -0.190 -5.886 4.600 327 HA ARG 42 HA ARG 42 -0.164 -3.408 6.138 328 1HB ARG 42 1HB ARG 42 2.139 -5.160 5.240 329 2HB ARG 42 2HB ARG 42 2.098 -4.093 6.642 330 1HG ARG 42 1HG ARG 42 0.102 -5.511 7.439 331 2HG ARG 42 2HG ARG 42 0.587 -6.675 6.206 332 1HD ARG 42 1HD ARG 42 2.952 -5.931 7.612 333 2HD ARG 42 2HD ARG 42 1.709 -6.293 8.827 334 HE ARG 42 HE ARG 42 2.590 -8.155 6.654 335 1HH1 ARG 42 1HH2 ARG 42 -0.099 -7.723 8.539 336 2HH1 ARG 42 2HH2 ARG 42 -0.007 -9.241 9.367 337 1HH2 ARG 42 1HH1 ARG 42 3.154 -10.005 8.162 338 2HH2 ARG 42 2HH1 ARG 42 1.838 -10.533 9.155 339 H ASN 43 H ASN 43 0.383 -4.208 2.825 340 HA ASN 43 HA ASN 43 2.127 -1.861 2.333 341 1HB ASN 43 1HB ASN 43 2.102 -4.272 1.232 342 2HB ASN 43 2HB ASN 43 0.855 -3.559 0.206 343 1HD2 ASN 43 1HD2 ASN 43 3.025 -4.182 -1.243 344 2HD2 ASN 43 2HD2 ASN 43 4.013 -2.839 -1.554 345 H ASN 44 H ASN 44 -0.157 -0.928 3.412 346 HA ASN 44 HA ASN 44 -1.481 0.455 1.135 347 1HB ASN 44 1HB ASN 44 -2.906 -1.451 1.531 348 2HB ASN 44 2HB ASN 44 -2.792 -1.250 3.278 349 1HD2 ASN 44 1HD2 ASN 44 -5.323 -1.328 1.950 350 2HD2 ASN 44 2HD2 ASN 44 -6.053 0.209 2.091 351 H PHE 45 H PHE 45 -0.021 2.125 2.162 352 HA PHE 45 HA PHE 45 -0.859 3.074 4.843 353 1HB PHE 45 1HB PHE 45 1.254 4.167 2.965 354 2HB PHE 45 2HB PHE 45 1.172 4.352 4.718 355 HD1 PHE 45 1HD PHE 45 1.932 2.041 1.943 356 HD2 PHE 45 2HD PHE 45 1.764 2.496 6.212 357 HE1 PHE 45 1HE PHE 45 3.212 -0.067 2.217 358 HE2 PHE 45 2HE PHE 45 3.047 0.389 6.486 359 HZ PHE 45 HZ PHE 45 3.769 -0.902 4.489 360 H LYS 46 H LYS 46 -1.877 5.072 5.165 361 HA LYS 46 HA LYS 46 -3.559 6.116 3.096 362 1HB LYS 46 1HB LYS 46 -2.611 7.312 5.721 363 2HB LYS 46 2HB LYS 46 -4.019 7.851 4.807 364 1HG LYS 46 1HG LYS 46 -5.039 5.619 5.062 365 2HG LYS 46 2HG LYS 46 -3.623 5.072 5.963 366 1HD LYS 46 1HD LYS 46 -4.202 7.255 7.411 367 2HD LYS 46 2HD LYS 46 -5.821 6.910 6.802 368 1HE LYS 46 1HE LYS 46 -5.881 4.785 7.848 369 2HE LYS 46 2HE LYS 46 -4.117 4.734 8.036 370 1HZ LYS 46 1HZ LYS 46 -4.454 6.859 9.393 371 2HZ LYS 46 2HZ LYS 46 -4.907 5.394 10.126 372 3HZ LYS 46 3HZ LYS 46 -6.091 6.421 9.467 373 H SER 47 H SER 47 -0.303 6.932 4.139 374 HA SER 47 HA SER 47 -0.199 8.983 1.957 375 1HB SER 47 1HB SER 47 1.001 10.465 3.483 376 2HB SER 47 2HB SER 47 -0.534 10.004 4.211 377 HG SER 47 HG SER 47 0.480 8.587 5.532 378 H ALA 48 H ALA 48 1.982 9.326 1.135 379 HA ALA 48 HA ALA 48 3.541 6.921 0.879 380 1HB ALA 48 1HB ALA 48 4.912 9.448 0.315 381 2HB ALA 48 2HB ALA 48 3.280 9.407 -0.353 382 3HB ALA 48 3HB ALA 48 4.446 8.160 -0.796 383 H GLU 49 H GLU 49 3.615 9.609 3.119 384 HA GLU 49 HA GLU 49 6.329 9.292 4.058 385 1HB GLU 49 1HB GLU 49 3.810 10.402 5.342 386 2HB GLU 49 2HB GLU 49 5.445 10.663 5.950 387 1HG GLU 49 1HG GLU 49 5.919 12.205 4.344 388 2HG GLU 49 2HG GLU 49 5.089 11.289 3.086 389 H ASP 50 H ASP 50 3.337 7.607 4.695 390 HA ASP 50 HA ASP 50 4.361 6.333 7.161 391 1HB ASP 50 1HB ASP 50 1.993 7.098 6.833 392 2HB ASP 50 2HB ASP 50 1.823 5.897 5.553 393 H CYS 51 H CYS 51 4.045 5.681 3.746 394 HA CYS 51 HA CYS 51 4.421 2.776 3.995 395 1HB CYS 51 1HB CYS 51 3.116 3.704 2.172 396 2HB CYS 51 2HB CYS 51 4.447 4.761 1.698 397 H MET 52 H MET 52 6.378 5.589 2.974 398 HA MET 52 HA MET 52 8.762 4.108 2.343 399 1HB MET 52 1HB MET 52 8.146 6.971 3.105 400 2HB MET 52 2HB MET 52 9.768 6.447 2.649 401 1HG MET 52 1HG MET 52 8.393 5.376 0.601 402 2HG MET 52 2HG MET 52 7.317 6.722 0.974 403 1HE MET 52 1HE MET 52 10.539 5.740 -1.010 404 2HE MET 52 2HE MET 52 10.862 5.611 0.716 405 3HE MET 52 3HE MET 52 11.712 6.820 -0.244 406 H ARG 53 H ARG 53 7.873 5.989 5.272 407 HA ARG 53 HA ARG 53 10.191 5.518 6.803 408 1HB ARG 53 1HB ARG 53 8.490 7.067 7.500 409 2HB ARG 53 2HB ARG 53 7.260 5.802 7.520 410 1HG ARG 53 1HG ARG 53 8.067 4.870 9.496 411 2HG ARG 53 2HG ARG 53 9.698 5.490 9.242 412 1HD ARG 53 1HD ARG 53 9.160 7.194 10.647 413 2HD ARG 53 2HD ARG 53 8.027 7.770 9.406 414 HE ARG 53 HE ARG 53 6.440 5.981 10.488 415 1HH1 ARG 53 1HH2 ARG 53 6.638 8.711 11.838 416 2HH1 ARG 53 2HH2 ARG 53 6.835 8.248 13.496 417 1HH2 ARG 53 1HH1 ARG 53 7.660 4.962 12.756 418 2HH2 ARG 53 2HH1 ARG 53 7.413 6.125 14.016 419 H THR 54 H THR 54 7.751 3.264 5.824 420 HA THR 54 HA THR 54 8.695 1.285 7.868 421 HB THR 54 HB THR 54 6.164 1.683 6.270 422 HG1 THR 54 1HG THR 54 6.970 1.667 8.947 423 1HG2 THR 54 1HG2 THR 54 5.390 -0.486 7.272 424 2HG2 THR 54 2HG2 THR 54 7.056 -0.798 7.759 425 3HG2 THR 54 3HG2 THR 54 6.646 -0.676 6.049 426 H CYS 55 H CYS 55 7.951 1.666 4.389 427 HA CYS 55 HA CYS 55 9.306 -0.925 3.830 428 1HB CYS 55 1HB CYS 55 7.797 0.989 2.022 429 2HB CYS 55 2HB CYS 55 8.266 -0.664 1.635 430 H GLY 56 H GLY 56 9.495 2.532 3.009 431 1HA GLY 56 1HA GLY 56 11.455 2.636 1.088 432 2HA GLY 56 2HA GLY 56 11.403 3.795 2.416 433 H GLY 57 H GLY 57 13.030 1.040 1.101 434 1HA GLY 57 1HA GLY 57 14.740 0.802 3.527 435 2HA GLY 57 2HA GLY 57 14.679 -0.367 2.207 436 H ALA 58 H ALA 58 16.593 -0.330 1.121 437 HA ALA 58 HA ALA 58 18.528 0.516 0.059 438 1HB ALA 58 1HB ALA 58 17.692 1.813 -1.592 439 2HB ALA 58 2HB ALA 58 17.524 3.164 -0.472 440 3HB ALA 58 3HB ALA 58 16.211 2.002 -0.655 Start of MODEL 16 1 1H ARG 1 1H ARG 1 14.321 -4.747 7.115 2 2H ARG 1 2H ARG 1 14.196 -6.083 6.074 3 3H ARG 1 3H ARG 1 13.484 -6.135 7.616 4 HA ARG 1 HA ARG 1 12.051 -4.201 6.887 5 1HB ARG 1 1HB ARG 1 13.236 -3.361 5.060 6 2HB ARG 1 2HB ARG 1 13.622 -4.962 4.441 7 1HG ARG 1 1HG ARG 1 11.848 -4.870 3.061 8 2HG ARG 1 2HG ARG 1 10.764 -4.632 4.427 9 1HD ARG 1 1HD ARG 1 10.604 -2.740 2.828 10 2HD ARG 1 2HD ARG 1 11.269 -2.193 4.380 11 HE ARG 1 HE ARG 1 13.310 -1.787 3.254 12 1HH1 ARG 1 1HH2 ARG 1 13.602 -4.672 2.361 13 2HH1 ARG 1 2HH2 ARG 1 13.680 -4.489 0.640 14 1HH2 ARG 1 1HH1 ARG 1 12.434 -1.253 0.658 15 2HH2 ARG 1 2HH1 ARG 1 13.017 -2.555 -0.324 16 HA PRO 2 HA PRO 2 9.193 -7.532 6.711 17 1HB PRO 2 1HB PRO 2 6.986 -6.117 5.946 18 2HB PRO 2 2HB PRO 2 7.639 -6.079 7.592 19 1HG PRO 2 1HG PRO 2 7.966 -4.130 5.351 20 2HG PRO 2 2HG PRO 2 7.714 -3.824 7.078 21 1HD PRO 2 1HD PRO 2 10.151 -3.644 5.869 22 2HD PRO 2 2HD PRO 2 9.945 -4.114 7.573 23 H ASP 3 H ASP 3 7.808 -8.681 5.173 24 HA ASP 3 HA ASP 3 8.811 -8.460 2.411 25 1HB ASP 3 1HB ASP 3 7.197 -10.385 4.067 26 2HB ASP 3 2HB ASP 3 7.187 -10.537 2.310 27 H PHE 4 H PHE 4 5.927 -7.666 4.262 28 HA PHE 4 HA PHE 4 4.090 -7.560 2.037 29 1HB PHE 4 1HB PHE 4 2.656 -6.379 3.581 30 2HB PHE 4 2HB PHE 4 3.512 -7.623 4.482 31 HD1 PHE 4 1HD PHE 4 3.648 -3.949 3.643 32 HD2 PHE 4 2HD PHE 4 4.772 -7.087 6.369 33 HE1 PHE 4 1HE PHE 4 4.485 -2.271 5.246 34 HE2 PHE 4 2HE PHE 4 5.613 -5.386 7.964 35 HZ PHE 4 HZ PHE 4 5.462 -2.977 7.398 36 H CYS 5 H CYS 5 6.738 -5.585 2.887 37 HA CYS 5 HA CYS 5 5.700 -3.132 1.636 38 1HB CYS 5 1HB CYS 5 8.202 -4.084 2.986 39 2HB CYS 5 2HB CYS 5 8.273 -2.615 2.011 40 H LEU 6 H LEU 6 7.511 -5.964 0.653 41 HA LEU 6 HA LEU 6 8.442 -4.620 -1.830 42 1HB LEU 6 1HB LEU 6 8.829 -7.478 -0.905 43 2HB LEU 6 2HB LEU 6 9.810 -6.586 -2.071 44 HG LEU 6 HG LEU 6 9.477 -5.758 0.823 45 1HD1 LEU 6 1HD1 LEU 6 10.753 -8.037 0.070 46 2HD1 LEU 6 2HD1 LEU 6 11.267 -7.046 1.436 47 3HD1 LEU 6 3HD1 LEU 6 12.059 -6.868 -0.128 48 1HD2 LEU 6 1HD2 LEU 6 11.615 -5.010 -1.192 49 2HD2 LEU 6 2HD2 LEU 6 11.287 -4.244 0.362 50 3HD2 LEU 6 3HD2 LEU 6 10.145 -4.062 -0.969 51 H GLU 7 H GLU 7 5.699 -6.171 -0.775 52 HA GLU 7 HA GLU 7 5.147 -7.599 -3.320 53 1HB GLU 7 1HB GLU 7 4.253 -7.615 -0.533 54 2HB GLU 7 2HB GLU 7 2.912 -7.722 -1.675 55 1HG GLU 7 1HG GLU 7 3.741 -9.705 -2.641 56 2HG GLU 7 2HG GLU 7 5.371 -9.432 -2.022 57 HA PRO 8 HA PRO 8 2.511 -4.509 -4.987 58 1HB PRO 8 1HB PRO 8 0.379 -5.960 -5.911 59 2HB PRO 8 2HB PRO 8 1.980 -5.999 -6.678 60 1HG PRO 8 1HG PRO 8 0.693 -7.953 -4.835 61 2HG PRO 8 2HG PRO 8 1.740 -8.242 -6.231 62 1HD PRO 8 1HD PRO 8 2.561 -8.351 -3.603 63 2HD PRO 8 2HD PRO 8 3.641 -8.041 -4.980 64 HA PRO 9 HA PRO 9 -0.613 -3.342 -2.113 65 1HB PRO 9 1HB PRO 9 -2.445 -2.061 -3.709 66 2HB PRO 9 2HB PRO 9 -0.876 -1.355 -3.275 67 1HG PRO 9 1HG PRO 9 -1.722 -2.743 -5.781 68 2HG PRO 9 2HG PRO 9 -0.700 -1.310 -5.576 69 1HD PRO 9 1HD PRO 9 0.278 -3.813 -6.075 70 2HD PRO 9 2HD PRO 9 1.182 -2.570 -5.181 71 H TYR 10 H TYR 10 -3.303 -3.351 -2.111 72 HA TYR 10 HA TYR 10 -4.346 -5.768 -3.475 73 1HB TYR 10 1HB TYR 10 -3.075 -6.497 -1.433 74 2HB TYR 10 2HB TYR 10 -4.179 -5.530 -0.455 75 HD1 TYR 10 1HD TYR 10 -6.146 -6.502 0.352 76 HD2 TYR 10 2HD TYR 10 -4.209 -8.218 -3.078 77 HE1 TYR 10 1HE TYR 10 -7.773 -8.372 0.368 78 HE2 TYR 10 2HE TYR 10 -5.838 -10.088 -3.060 79 HH TYR 10 HH TYR 10 -7.340 -11.195 -1.114 80 H THR 11 H THR 11 -5.929 -4.383 -4.376 81 HA THR 11 HA THR 11 -7.542 -2.510 -2.954 82 HB THR 11 HB THR 11 -7.786 -4.199 -5.443 83 HG1 THR 11 1HG THR 11 -6.610 -2.120 -5.162 84 1HG2 THR 11 1HG2 THR 11 -9.939 -3.014 -5.936 85 2HG2 THR 11 2HG2 THR 11 -9.948 -2.428 -4.273 86 3HG2 THR 11 3HG2 THR 11 -10.063 -4.157 -4.598 87 H GLY 12 H GLY 12 -7.458 -5.977 -3.073 88 1HA GLY 12 1HA GLY 12 -8.662 -7.591 -1.858 89 2HA GLY 12 2HA GLY 12 -9.244 -6.275 -0.838 90 HA PRO 13 HA PRO 13 -12.459 -7.877 -3.986 91 1HB PRO 13 1HB PRO 13 -13.831 -9.621 -2.369 92 2HB PRO 13 2HB PRO 13 -12.504 -10.119 -3.438 93 1HG PRO 13 1HG PRO 13 -12.485 -9.549 -0.503 94 2HG PRO 13 2HG PRO 13 -11.685 -10.849 -1.401 95 1HD PRO 13 1HD PRO 13 -10.389 -8.620 -0.540 96 2HD PRO 13 2HD PRO 13 -9.921 -9.499 -2.015 97 H CYS 14 H CYS 14 -12.634 -5.491 -3.033 98 HA CYS 14 HA CYS 14 -15.077 -5.364 -1.292 99 1HB CYS 14 1HB CYS 14 -12.546 -3.735 -1.476 100 2HB CYS 14 2HB CYS 14 -14.007 -3.031 -0.785 101 H LYS 15 H LYS 15 -15.955 -2.873 -1.681 102 HA LYS 15 HA LYS 15 -16.204 -2.564 -4.659 103 1HB LYS 15 1HB LYS 15 -18.202 -3.458 -3.432 104 2HB LYS 15 2HB LYS 15 -18.236 -1.971 -2.483 105 1HG LYS 15 1HG LYS 15 -19.079 -0.739 -4.215 106 2HG LYS 15 2HG LYS 15 -18.116 -1.596 -5.420 107 1HD LYS 15 1HD LYS 15 -19.645 -3.529 -5.260 108 2HD LYS 15 2HD LYS 15 -20.607 -2.670 -4.056 109 1HE LYS 15 1HE LYS 15 -20.986 -0.850 -5.773 110 2HE LYS 15 2HE LYS 15 -20.189 -1.894 -6.967 111 1HZ LYS 15 1HZ LYS 15 -22.480 -2.413 -7.073 112 2HZ LYS 15 2HZ LYS 15 -22.642 -2.445 -5.383 113 3HZ LYS 15 3HZ LYS 15 -21.782 -3.674 -6.179 114 H ALA 16 H ALA 16 -14.616 -1.195 -2.234 115 HA ALA 16 HA ALA 16 -15.480 1.616 -2.688 116 1HB ALA 16 1HB ALA 16 -14.001 0.038 -0.668 117 2HB ALA 16 2HB ALA 16 -15.064 1.427 -0.447 118 3HB ALA 16 3HB ALA 16 -13.386 1.668 -0.930 119 H ARG 17 H ARG 17 -13.667 3.224 -3.076 120 HA ARG 17 HA ARG 17 -11.331 2.088 -4.535 121 1HB ARG 17 1HB ARG 17 -13.698 3.398 -5.642 122 2HB ARG 17 2HB ARG 17 -12.209 4.227 -6.102 123 1HG ARG 17 1HG ARG 17 -12.429 2.590 -7.775 124 2HG ARG 17 2HG ARG 17 -11.332 1.821 -6.627 125 1HD ARG 17 1HD ARG 17 -12.826 0.148 -6.280 126 2HD ARG 17 2HD ARG 17 -14.091 1.323 -5.869 127 HE ARG 17 HE ARG 17 -13.495 1.192 -8.733 128 1HH1 ARG 17 1HH2 ARG 17 -15.955 1.214 -6.546 129 2HH1 ARG 17 2HH2 ARG 17 -16.941 0.026 -7.330 130 1HH2 ARG 17 1HH1 ARG 17 -14.470 -0.927 -9.572 131 2HH2 ARG 17 2HH1 ARG 17 -16.099 -1.188 -9.045 132 H ILE 18 H ILE 18 -10.621 3.024 -2.285 133 HA ILE 18 HA ILE 18 -10.405 5.966 -2.195 134 HB ILE 18 HB ILE 18 -9.258 3.792 -0.414 135 1HG1 ILE 18 1HG1 ILE 18 -11.817 5.370 -0.048 136 2HG1 ILE 18 2HG1 ILE 18 -11.773 3.742 -0.725 137 1HG2 ILE 18 1HG2 ILE 18 -9.917 6.155 0.997 138 2HG2 ILE 18 2HG2 ILE 18 -9.037 6.665 -0.444 139 3HG2 ILE 18 3HG2 ILE 18 -8.306 5.515 0.676 140 1HD1 ILE 18 1HD1 ILE 18 -11.950 3.051 1.431 141 2HD1 ILE 18 2HD1 ILE 18 -11.472 4.626 2.066 142 3HD1 ILE 18 3HD1 ILE 18 -10.242 3.472 1.551 143 H ILE 19 H ILE 19 -8.318 7.047 -2.156 144 HA ILE 19 HA ILE 19 -6.309 5.736 -3.895 145 HB ILE 19 HB ILE 19 -6.539 8.557 -2.794 146 1HG1 ILE 19 1HG1 ILE 19 -8.475 7.782 -4.214 147 2HG1 ILE 19 2HG1 ILE 19 -7.574 9.127 -4.912 148 1HG2 ILE 19 1HG2 ILE 19 -5.186 8.750 -5.138 149 2HG2 ILE 19 2HG2 ILE 19 -4.642 7.160 -4.600 150 3HG2 ILE 19 3HG2 ILE 19 -4.388 8.573 -3.575 151 1HD1 ILE 19 1HD1 ILE 19 -6.776 7.860 -6.639 152 2HD1 ILE 19 2HD1 ILE 19 -8.178 6.851 -6.278 153 3HD1 ILE 19 3HD1 ILE 19 -6.593 6.423 -5.630 154 H ARG 20 H ARG 20 -5.379 4.268 -2.312 155 HA ARG 20 HA ARG 20 -4.065 5.532 0.045 156 1HB ARG 20 1HB ARG 20 -4.798 2.740 -0.814 157 2HB ARG 20 2HB ARG 20 -3.660 3.000 0.507 158 1HG ARG 20 1HG ARG 20 -6.309 4.437 0.463 159 2HG ARG 20 2HG ARG 20 -6.203 2.784 1.068 160 1HD ARG 20 1HD ARG 20 -5.346 3.532 3.034 161 2HD ARG 20 2HD ARG 20 -4.057 4.401 2.177 162 HE ARG 20 HE ARG 20 -5.759 6.241 1.818 163 1HH1 ARG 20 1HH2 ARG 20 -7.559 3.919 3.269 164 2HH1 ARG 20 2HH2 ARG 20 -8.049 4.855 4.641 165 1HH2 ARG 20 1HH1 ARG 20 -5.822 7.436 4.013 166 2HH2 ARG 20 2HH1 ARG 20 -7.067 6.844 5.063 167 H TYR 21 H TYR 21 -1.817 4.269 0.497 168 HA TYR 21 HA TYR 21 -0.209 4.526 -2.024 169 1HB TYR 21 1HB TYR 21 0.103 5.379 0.818 170 2HB TYR 21 2HB TYR 21 1.568 4.927 -0.052 171 HD1 TYR 21 1HD TYR 21 -1.164 7.347 0.217 172 HD2 TYR 21 2HD TYR 21 2.271 6.159 -2.063 173 HE1 TYR 21 1HE TYR 21 -1.155 9.555 -0.919 174 HE2 TYR 21 2HE TYR 21 2.282 8.364 -3.200 175 HH TYR 21 HH TYR 21 0.802 10.186 -3.686 176 H PHE 22 H PHE 22 1.553 3.057 -2.304 177 HA PHE 22 HA PHE 22 1.854 0.809 -0.391 178 1HB PHE 22 1HB PHE 22 1.205 -0.845 -1.960 179 2HB PHE 22 2HB PHE 22 0.003 0.422 -2.178 180 HD1 PHE 22 1HD PHE 22 2.779 -1.392 -3.689 181 HD2 PHE 22 2HD PHE 22 0.191 2.013 -4.098 182 HE1 PHE 22 1HE PHE 22 3.422 -1.191 -6.076 183 HE2 PHE 22 2HE PHE 22 0.836 2.217 -6.484 184 HZ PHE 22 HZ PHE 22 2.450 0.614 -7.475 185 H TYR 23 H TYR 23 3.687 -0.705 -1.395 186 HA TYR 23 HA TYR 23 5.921 1.112 -2.183 187 1HB TYR 23 1HB TYR 23 5.943 -0.582 -0.279 188 2HB TYR 23 2HB TYR 23 5.926 -1.837 -1.513 189 HD1 TYR 23 1HD TYR 23 8.119 -1.536 0.497 190 HD2 TYR 23 2HD TYR 23 7.702 0.173 -3.416 191 HE1 TYR 23 1HE TYR 23 10.581 -1.306 0.332 192 HE2 TYR 23 2HE TYR 23 10.154 0.364 -3.597 193 HH TYR 23 HH TYR 23 12.294 -1.062 -1.249 194 H ASN 24 H ASN 24 5.737 1.383 -4.505 195 HA ASN 24 HA ASN 24 5.323 -1.021 -6.186 196 1HB ASN 24 1HB ASN 24 4.451 1.352 -6.647 197 2HB ASN 24 2HB ASN 24 6.114 1.782 -7.022 198 1HD2 ASN 24 1HD2 ASN 24 3.911 1.762 -8.970 199 2HD2 ASN 24 2HD2 ASN 24 4.298 0.595 -10.140 200 H ALA 25 H ALA 25 7.407 -1.894 -5.014 201 HA ALA 25 HA ALA 25 9.969 -0.854 -5.349 202 1HB ALA 25 1HB ALA 25 8.705 -3.500 -5.083 203 2HB ALA 25 2HB ALA 25 10.113 -2.841 -4.249 204 3HB ALA 25 3HB ALA 25 10.291 -3.551 -5.857 205 H LYS 26 H LYS 26 7.783 -2.125 -7.755 206 HA LYS 26 HA LYS 26 9.621 -2.552 -9.916 207 1HB LYS 26 1HB LYS 26 6.833 -2.585 -9.397 208 2HB LYS 26 2HB LYS 26 7.061 -1.443 -10.722 209 1HG LYS 26 1HG LYS 26 7.990 -3.071 -12.129 210 2HG LYS 26 2HG LYS 26 8.450 -4.113 -10.781 211 1HD LYS 26 1HD LYS 26 6.369 -5.060 -10.638 212 2HD LYS 26 2HD LYS 26 5.545 -3.559 -11.062 213 1HE LYS 26 1HE LYS 26 7.080 -4.431 -13.335 214 2HE LYS 26 2HE LYS 26 6.079 -5.781 -12.763 215 1HZ LYS 26 1HZ LYS 26 4.947 -4.143 -14.296 216 2HZ LYS 26 2HZ LYS 26 5.058 -3.005 -13.039 217 3HZ LYS 26 3HZ LYS 26 4.157 -4.429 -12.824 218 H ALA 27 H ALA 27 7.933 0.299 -8.636 219 HA ALA 27 HA ALA 27 9.010 2.090 -10.713 220 1HB ALA 27 1HB ALA 27 7.534 3.619 -9.758 221 2HB ALA 27 2HB ALA 27 7.781 2.990 -8.129 222 3HB ALA 27 3HB ALA 27 6.771 2.106 -9.273 223 H GLY 28 H GLY 28 9.732 1.165 -7.370 224 1HA GLY 28 1HA GLY 28 12.186 1.339 -6.797 225 2HA GLY 28 2HA GLY 28 12.125 2.958 -7.484 226 H LEU 29 H LEU 29 9.241 2.894 -6.051 227 HA LEU 29 HA LEU 29 10.153 3.234 -3.261 228 1HB LEU 29 1HB LEU 29 9.405 5.601 -3.253 229 2HB LEU 29 2HB LEU 29 10.706 5.344 -4.415 230 HG LEU 29 HG LEU 29 8.071 4.860 -5.583 231 1HD1 LEU 29 1HD1 LEU 29 8.077 6.933 -3.744 232 2HD1 LEU 29 2HD1 LEU 29 6.971 6.781 -5.109 233 3HD1 LEU 29 3HD1 LEU 29 8.435 7.752 -5.265 234 1HD2 LEU 29 1HD2 LEU 29 9.266 5.496 -7.390 235 2HD2 LEU 29 2HD2 LEU 29 10.657 5.727 -6.330 236 3HD2 LEU 29 3HD2 LEU 29 9.576 7.078 -6.673 237 H CYS 30 H CYS 30 7.703 5.000 -2.926 238 HA CYS 30 HA CYS 30 5.692 2.793 -2.957 239 1HB CYS 30 1HB CYS 30 6.002 5.323 -1.310 240 2HB CYS 30 2HB CYS 30 4.637 4.217 -1.159 241 H GLN 31 H GLN 31 3.540 3.303 -3.718 242 HA GLN 31 HA GLN 31 3.230 5.926 -5.114 243 1HB GLN 31 1HB GLN 31 2.957 3.133 -6.261 244 2HB GLN 31 2HB GLN 31 2.380 4.581 -7.085 245 1HG GLN 31 1HG GLN 31 4.961 5.267 -6.360 246 2HG GLN 31 2HG GLN 31 5.113 3.563 -6.788 247 1HE2 GLN 31 1HE2 GLN 31 6.413 4.958 -8.603 248 2HE2 GLN 31 2HE2 GLN 31 5.512 5.272 -10.006 249 H THR 32 H THR 32 0.845 5.903 -6.089 250 HA THR 32 HA THR 32 -0.951 5.254 -3.829 251 HB THR 32 HB THR 32 -2.474 6.514 -5.682 252 HG1 THR 32 1HG THR 32 -1.274 7.229 -7.228 253 1HG2 THR 32 1HG2 THR 32 -2.044 7.341 -3.425 254 2HG2 THR 32 2HG2 THR 32 -1.772 8.638 -4.588 255 3HG2 THR 32 3HG2 THR 32 -0.400 7.788 -3.877 256 H PHE 33 H PHE 33 -2.771 3.883 -4.065 257 HA PHE 33 HA PHE 33 -3.129 2.482 -6.658 258 1HB PHE 33 1HB PHE 33 -2.618 0.351 -5.783 259 2HB PHE 33 2HB PHE 33 -1.378 1.386 -5.088 260 HD1 PHE 33 1HD PHE 33 -1.511 2.100 -2.706 261 HD2 PHE 33 2HD PHE 33 -4.337 -0.653 -4.412 262 HE1 PHE 33 1HE PHE 33 -2.227 1.430 -0.433 263 HE2 PHE 33 2HE PHE 33 -5.054 -1.323 -2.132 264 HZ PHE 33 HZ PHE 33 -3.997 -0.282 -0.143 265 H VAL 34 H VAL 34 -5.104 1.062 -6.579 266 HA VAL 34 HA VAL 34 -7.316 2.491 -5.355 267 HB VAL 34 HB VAL 34 -7.275 -0.241 -6.671 268 1HG1 VAL 34 1HG1 VAL 34 -9.505 -0.079 -6.409 269 2HG1 VAL 34 2HG1 VAL 34 -9.489 1.357 -7.433 270 3HG1 VAL 34 3HG1 VAL 34 -9.332 1.519 -5.683 271 1HG2 VAL 34 1HG2 VAL 34 -6.722 2.447 -7.754 272 2HG2 VAL 34 2HG2 VAL 34 -7.962 1.554 -8.634 273 3HG2 VAL 34 3HG2 VAL 34 -6.351 0.864 -8.435 274 H TYR 35 H TYR 35 -8.000 2.194 -3.291 275 HA TYR 35 HA TYR 35 -7.245 -0.321 -1.859 276 1HB TYR 35 1HB TYR 35 -6.514 1.791 -0.894 277 2HB TYR 35 2HB TYR 35 -8.151 2.437 -0.979 278 HD1 TYR 35 1HD TYR 35 -7.346 -1.055 -0.055 279 HD2 TYR 35 2HD TYR 35 -8.444 2.844 1.375 280 HE1 TYR 35 1HE TYR 35 -7.840 -2.011 2.180 281 HE2 TYR 35 2HE TYR 35 -8.937 1.889 3.607 282 HH TYR 35 HH TYR 35 -8.570 0.042 4.934 283 H GLY 36 H GLY 36 -8.895 -1.639 -0.971 284 1HA GLY 36 1HA GLY 36 -11.609 -1.154 -2.025 285 2HA GLY 36 2HA GLY 36 -11.054 -2.634 -1.245 286 H ALA 37 H ALA 37 -10.009 -0.194 0.717 287 HA ALA 37 HA ALA 37 -10.876 0.812 2.687 288 1HB ALA 37 1HB ALA 37 -13.631 -0.111 1.948 289 2HB ALA 37 2HB ALA 37 -12.848 1.094 0.923 290 3HB ALA 37 3HB ALA 37 -13.118 1.431 2.633 291 H CYS 38 H CYS 38 -10.920 -2.404 1.887 292 HA CYS 38 HA CYS 38 -11.258 -3.202 4.708 293 1HB CYS 38 1HB CYS 38 -12.793 -5.134 3.474 294 2HB CYS 38 2HB CYS 38 -13.437 -3.759 4.360 295 H ARG 39 H ARG 39 -10.832 -5.696 4.843 296 HA ARG 39 HA ARG 39 -9.134 -7.329 4.552 297 1HB ARG 39 1HB ARG 39 -10.792 -6.962 2.239 298 2HB ARG 39 2HB ARG 39 -9.162 -7.364 1.694 299 1HG ARG 39 1HG ARG 39 -9.367 -9.499 2.407 300 2HG ARG 39 2HG ARG 39 -9.973 -8.983 3.981 301 1HD ARG 39 1HD ARG 39 -11.954 -8.527 1.888 302 2HD ARG 39 2HD ARG 39 -11.473 -10.234 1.975 303 HE ARG 39 HE ARG 39 -12.007 -8.870 4.552 304 1HH1 ARG 39 1HH2 ARG 39 -12.144 -11.811 3.153 305 2HH1 ARG 39 2HH2 ARG 39 -13.781 -12.187 3.577 306 1HH2 ARG 39 1HH1 ARG 39 -14.527 -8.962 4.618 307 2HH2 ARG 39 2HH1 ARG 39 -15.132 -10.572 4.410 308 H ALA 40 H ALA 40 -8.346 -4.398 4.436 309 HA ALA 40 HA ALA 40 -6.335 -3.965 2.454 310 1HB ALA 40 1HB ALA 40 -5.696 -2.141 3.932 311 2HB ALA 40 2HB ALA 40 -6.491 -2.924 5.299 312 3HB ALA 40 3HB ALA 40 -7.453 -2.293 3.964 313 H LYS 41 H LYS 41 -4.146 -4.472 2.433 314 HA LYS 41 HA LYS 41 -3.207 -6.455 4.441 315 1HB LYS 41 1HB LYS 41 -2.064 -5.459 1.806 316 2HB LYS 41 2HB LYS 41 -1.433 -6.814 2.744 317 1HG LYS 41 1HG LYS 41 -3.713 -7.891 2.540 318 2HG LYS 41 2HG LYS 41 -4.151 -6.606 1.414 319 1HD LYS 41 1HD LYS 41 -3.391 -8.295 -0.026 320 2HD LYS 41 2HD LYS 41 -1.946 -7.303 0.177 321 1HE LYS 41 1HE LYS 41 -0.982 -9.327 0.717 322 2HE LYS 41 2HE LYS 41 -1.707 -9.015 2.307 323 1HZ LYS 41 1HZ LYS 41 -3.349 -10.187 0.161 324 2HZ LYS 41 2HZ LYS 41 -3.497 -10.363 1.844 325 3HZ LYS 41 3HZ LYS 41 -2.276 -11.195 1.005 326 H ARG 42 H ARG 42 -0.444 -5.934 4.280 327 HA ARG 42 HA ARG 42 -0.257 -3.553 6.000 328 1HB ARG 42 1HB ARG 42 1.849 -5.492 5.003 329 2HB ARG 42 2HB ARG 42 2.003 -4.394 6.374 330 1HG ARG 42 1HG ARG 42 0.168 -5.563 7.525 331 2HG ARG 42 2HG ARG 42 -0.027 -6.641 6.144 332 1HD ARG 42 1HD ARG 42 2.711 -6.454 7.327 333 2HD ARG 42 2HD ARG 42 1.480 -7.327 8.261 334 HE ARG 42 HE ARG 42 1.810 -7.938 5.356 335 1HH1 ARG 42 1HH2 ARG 42 2.624 -8.768 8.576 336 2HH1 ARG 42 2HH2 ARG 42 2.515 -10.477 8.318 337 1HH2 ARG 42 1HH1 ARG 42 1.396 -10.180 5.048 338 2HH2 ARG 42 2HH1 ARG 42 1.821 -11.276 6.321 339 H ASN 43 H ASN 43 -0.024 -4.177 2.666 340 HA ASN 43 HA ASN 43 1.922 -1.973 2.160 341 1HB ASN 43 1HB ASN 43 1.644 -4.385 1.022 342 2HB ASN 43 2HB ASN 43 0.492 -3.506 0.017 343 1HD2 ASN 43 1HD2 ASN 43 3.519 -4.540 -0.243 344 2HD2 ASN 43 2HD2 ASN 43 4.264 -3.232 -1.025 345 H ASN 44 H ASN 44 -0.283 -0.926 3.329 346 HA ASN 44 HA ASN 44 -1.661 0.505 1.093 347 1HB ASN 44 1HB ASN 44 -3.117 -1.339 1.702 348 2HB ASN 44 2HB ASN 44 -2.896 -1.015 3.419 349 1HD2 ASN 44 1HD2 ASN 44 -5.466 -1.063 1.968 350 2HD2 ASN 44 2HD2 ASN 44 -6.156 0.490 2.148 351 H PHE 45 H PHE 45 -0.186 2.254 1.848 352 HA PHE 45 HA PHE 45 -0.731 3.306 4.584 353 1HB PHE 45 1HB PHE 45 1.317 4.147 2.513 354 2HB PHE 45 2HB PHE 45 1.341 4.506 4.241 355 HD1 PHE 45 1HD PHE 45 2.116 2.880 5.848 356 HD2 PHE 45 2HD PHE 45 1.648 1.797 1.714 357 HE1 PHE 45 1HE PHE 45 3.325 0.752 6.269 358 HE2 PHE 45 2HE PHE 45 2.858 -0.330 2.136 359 HZ PHE 45 HZ PHE 45 3.697 -0.861 4.413 360 H LYS 46 H LYS 46 -1.011 5.712 4.759 361 HA LYS 46 HA LYS 46 -2.915 6.657 2.696 362 1HB LYS 46 1HB LYS 46 -2.053 7.978 5.282 363 2HB LYS 46 2HB LYS 46 -3.564 8.218 4.400 364 1HG LYS 46 1HG LYS 46 -4.181 5.860 4.848 365 2HG LYS 46 2HG LYS 46 -2.682 5.648 5.754 366 1HD LYS 46 1HD LYS 46 -3.386 7.402 7.336 367 2HD LYS 46 2HD LYS 46 -4.877 7.637 6.421 368 1HE LYS 46 1HE LYS 46 -5.266 5.090 6.823 369 2HE LYS 46 2HE LYS 46 -4.041 5.263 8.097 370 1HZ LYS 46 1HZ LYS 46 -6.574 6.793 7.784 371 2HZ LYS 46 2HZ LYS 46 -5.344 7.236 8.868 372 3HZ LYS 46 3HZ LYS 46 -6.154 5.756 9.058 373 H SER 47 H SER 47 0.387 7.092 3.595 374 HA SER 47 HA SER 47 0.593 9.342 1.640 375 1HB SER 47 1HB SER 47 1.967 10.587 3.231 376 2HB SER 47 2HB SER 47 0.414 10.210 3.968 377 HG SER 47 HG SER 47 1.433 9.160 5.437 378 H ALA 48 H ALA 48 2.709 9.532 0.705 379 HA ALA 48 HA ALA 48 4.098 7.042 0.279 380 1HB ALA 48 1HB ALA 48 4.197 9.869 -0.545 381 2HB ALA 48 2HB ALA 48 4.447 8.414 -1.509 382 3HB ALA 48 3HB ALA 48 5.771 9.078 -0.552 383 H GLU 49 H GLU 49 4.529 9.723 2.504 384 HA GLU 49 HA GLU 49 7.255 9.050 3.292 385 1HB GLU 49 1HB GLU 49 5.636 11.218 3.475 386 2HB GLU 49 2HB GLU 49 5.436 10.553 5.098 387 1HG GLU 49 1HG GLU 49 8.105 10.344 4.902 388 2HG GLU 49 2HG GLU 49 7.868 11.691 3.790 389 H ASP 50 H ASP 50 4.152 7.805 4.034 390 HA ASP 50 HA ASP 50 4.982 6.716 6.666 391 1HB ASP 50 1HB ASP 50 2.711 7.767 6.087 392 2HB ASP 50 2HB ASP 50 2.390 6.304 5.157 393 H CYS 51 H CYS 51 4.540 5.770 3.331 394 HA CYS 51 HA CYS 51 4.446 2.896 3.800 395 1HB CYS 51 1HB CYS 51 3.539 3.790 1.775 396 2HB CYS 51 2HB CYS 51 5.002 4.718 1.445 397 H MET 52 H MET 52 6.992 5.166 2.703 398 HA MET 52 HA MET 52 9.110 3.217 2.594 399 1HB MET 52 1HB MET 52 8.691 6.107 2.377 400 2HB MET 52 2HB MET 52 10.245 5.714 3.115 401 1HG MET 52 1HG MET 52 9.676 3.976 0.852 402 2HG MET 52 2HG MET 52 9.639 5.673 0.378 403 1HE MET 52 1HE MET 52 12.028 3.112 -0.273 404 2HE MET 52 2HE MET 52 13.094 4.423 -0.773 405 3HE MET 52 3HE MET 52 11.373 4.508 -1.139 406 H ARG 53 H ARG 53 8.264 5.630 5.134 407 HA ARG 53 HA ARG 53 10.271 5.139 6.995 408 1HB ARG 53 1HB ARG 53 8.735 6.006 8.590 409 2HB ARG 53 2HB ARG 53 8.188 6.675 7.053 410 1HG ARG 53 1HG ARG 53 6.172 5.866 7.803 411 2HG ARG 53 2HG ARG 53 6.766 4.393 7.042 412 1HD ARG 53 1HD ARG 53 5.924 4.002 9.377 413 2HD ARG 53 2HD ARG 53 7.649 3.611 9.213 414 HE ARG 53 HE ARG 53 6.887 6.367 10.055 415 1HH1 ARG 53 1HH2 ARG 53 7.744 3.198 11.039 416 2HH1 ARG 53 2HH2 ARG 53 8.750 3.722 12.349 417 1HH2 ARG 53 1HH1 ARG 53 8.398 7.095 11.616 418 2HH2 ARG 53 2HH1 ARG 53 9.119 5.930 12.675 419 H THR 54 H THR 54 7.606 3.044 6.093 420 HA THR 54 HA THR 54 8.410 1.038 8.162 421 HB THR 54 HB THR 54 5.950 1.701 6.564 422 HG1 THR 54 1HG THR 54 6.646 1.143 9.233 423 1HG2 THR 54 1HG2 THR 54 5.054 -0.569 7.449 424 2HG2 THR 54 2HG2 THR 54 6.755 -1.035 7.523 425 3HG2 THR 54 3HG2 THR 54 6.036 -0.566 5.982 426 H CYS 55 H CYS 55 8.096 1.636 4.718 427 HA CYS 55 HA CYS 55 9.025 -1.111 4.059 428 1HB CYS 55 1HB CYS 55 7.905 1.213 2.463 429 2HB CYS 55 2HB CYS 55 8.380 -0.321 1.758 430 H GLY 56 H GLY 56 10.713 1.314 5.095 431 1HA GLY 56 1HA GLY 56 12.769 1.102 2.936 432 2HA GLY 56 2HA GLY 56 12.444 2.643 3.733 433 H GLY 57 H GLY 57 15.003 1.739 3.867 434 1HA GLY 57 1HA GLY 57 16.406 1.860 5.900 435 2HA GLY 57 2HA GLY 57 15.226 0.823 6.703 436 H ALA 58 H ALA 58 16.318 0.283 3.403 437 HA ALA 58 HA ALA 58 17.316 -2.390 4.203 438 1HB ALA 58 1HB ALA 58 15.893 -1.310 2.061 439 2HB ALA 58 2HB ALA 58 16.588 -2.929 2.122 440 3HB ALA 58 3HB ALA 58 17.497 -1.608 1.387 Start of MODEL 17 1 1H ARG 1 1H ARG 1 14.498 -6.453 3.659 2 2H ARG 1 2H ARG 1 14.127 -6.445 5.317 3 3H ARG 1 3H ARG 1 14.775 -5.058 4.582 4 HA ARG 1 HA ARG 1 12.524 -4.534 4.739 5 1HB ARG 1 1HB ARG 1 13.478 -5.659 2.127 6 2HB ARG 1 2HB ARG 1 11.811 -5.092 2.237 7 1HG ARG 1 1HG ARG 1 12.904 -2.966 3.334 8 2HG ARG 1 2HG ARG 1 14.369 -3.537 2.536 9 1HD ARG 1 1HD ARG 1 12.078 -3.629 0.721 10 2HD ARG 1 2HD ARG 1 12.353 -1.992 1.349 11 HE ARG 1 HE ARG 1 14.151 -3.483 -0.401 12 1HH1 ARG 1 1HH1 ARG 1 13.828 -0.483 -0.336 13 2HH1 ARG 1 2HH1 ARG 1 15.344 0.020 0.336 14 1HH2 ARG 1 1HH2 ARG 1 16.154 -3.131 1.540 15 2HH2 ARG 1 2HH2 ARG 1 16.658 -1.480 1.399 16 HA PRO 2 HA PRO 2 9.815 -7.880 5.721 17 1HB PRO 2 1HB PRO 2 7.445 -6.532 5.482 18 2HB PRO 2 2HB PRO 2 8.531 -6.354 6.866 19 1HG PRO 2 1HG PRO 2 8.166 -4.609 4.482 20 2HG PRO 2 2HG PRO 2 8.429 -4.152 6.167 21 1HD PRO 2 1HD PRO 2 10.378 -4.105 4.255 22 2HD PRO 2 2HD PRO 2 10.708 -4.368 5.983 23 H ASP 3 H ASP 3 8.292 -9.290 4.701 24 HA ASP 3 HA ASP 3 8.465 -9.402 1.810 25 1HB ASP 3 1HB ASP 3 7.594 -10.999 4.073 26 2HB ASP 3 2HB ASP 3 6.430 -11.107 2.752 27 H PHE 4 H PHE 4 6.044 -8.231 4.134 28 HA PHE 4 HA PHE 4 3.870 -8.069 2.217 29 1HB PHE 4 1HB PHE 4 2.745 -6.860 3.938 30 2HB PHE 4 2HB PHE 4 3.783 -8.005 4.778 31 HD1 PHE 4 1HD PHE 4 3.734 -4.452 3.523 32 HD2 PHE 4 2HD PHE 4 5.298 -7.260 6.383 33 HE1 PHE 4 1HE PHE 4 4.840 -2.610 4.737 34 HE2 PHE 4 2HE PHE 4 6.405 -5.401 7.592 35 HZ PHE 4 HZ PHE 4 6.169 -3.075 6.766 36 H CYS 5 H CYS 5 6.675 -6.191 2.790 37 HA CYS 5 HA CYS 5 5.738 -3.710 1.588 38 1HB CYS 5 1HB CYS 5 7.481 -3.564 3.169 39 2HB CYS 5 2HB CYS 5 8.350 -4.934 2.478 40 H LEU 6 H LEU 6 7.292 -6.670 0.501 41 HA LEU 6 HA LEU 6 7.910 -5.552 -2.162 42 1HB LEU 6 1HB LEU 6 8.057 -8.420 -1.201 43 2HB LEU 6 2HB LEU 6 9.002 -7.660 -2.483 44 HG LEU 6 HG LEU 6 9.155 -7.110 0.493 45 1HD1 LEU 6 1HD1 LEU 6 11.660 -7.568 -0.848 46 2HD1 LEU 6 2HD1 LEU 6 10.545 -8.873 -1.254 47 3HD1 LEU 6 3HD1 LEU 6 10.911 -8.520 0.435 48 1HD2 LEU 6 1HD2 LEU 6 10.788 -5.376 -0.051 49 2HD2 LEU 6 2HD2 LEU 6 9.268 -5.015 -0.868 50 3HD2 LEU 6 3HD2 LEU 6 10.611 -5.712 -1.774 51 H GLU 7 H GLU 7 5.245 -6.927 -0.586 52 HA GLU 7 HA GLU 7 4.084 -8.367 -2.841 53 1HB GLU 7 1HB GLU 7 3.193 -7.367 -0.138 54 2HB GLU 7 2HB GLU 7 2.025 -8.068 -1.259 55 1HG GLU 7 1HG GLU 7 4.236 -9.813 -1.281 56 2HG GLU 7 2HG GLU 7 3.976 -9.402 0.415 57 HA PRO 8 HA PRO 8 2.358 -4.919 -4.956 58 1HB PRO 8 1HB PRO 8 0.110 -6.088 -6.008 59 2HB PRO 8 2HB PRO 8 1.745 -6.386 -6.636 60 1HG PRO 8 1HG PRO 8 0.070 -8.039 -4.793 61 2HG PRO 8 2HG PRO 8 1.112 -8.553 -6.130 62 1HD PRO 8 1HD PRO 8 1.839 -8.706 -3.505 63 2HD PRO 8 2HD PRO 8 3.008 -8.487 -4.828 64 HA PRO 9 HA PRO 9 -0.832 -3.162 -2.511 65 1HB PRO 9 1HB PRO 9 -2.461 -1.904 -4.325 66 2HB PRO 9 2HB PRO 9 -0.848 -1.308 -3.887 67 1HG PRO 9 1HG PRO 9 -1.737 -2.822 -6.290 68 2HG PRO 9 2HG PRO 9 -0.528 -1.535 -6.146 69 1HD PRO 9 1HD PRO 9 0.054 -4.223 -6.345 70 2HD PRO 9 2HD PRO 9 1.137 -3.010 -5.628 71 H TYR 10 H TYR 10 -3.069 -3.452 -1.827 72 HA TYR 10 HA TYR 10 -4.428 -5.762 -3.189 73 1HB TYR 10 1HB TYR 10 -3.316 -5.983 -0.875 74 2HB TYR 10 2HB TYR 10 -4.626 -4.961 -0.283 75 HD1 TYR 10 1HD TYR 10 -6.620 -5.970 0.393 76 HD2 TYR 10 2HD TYR 10 -4.059 -8.023 -2.372 77 HE1 TYR 10 1HE TYR 10 -8.121 -7.944 0.468 78 HE2 TYR 10 2HE TYR 10 -5.555 -9.998 -2.295 79 HH TYR 10 HH TYR 10 -7.446 -10.836 -1.507 80 H THR 11 H THR 11 -5.836 -4.476 -4.480 81 HA THR 11 HA THR 11 -7.394 -2.271 -3.540 82 HB THR 11 HB THR 11 -7.572 -4.333 -5.734 83 HG1 THR 11 1HG THR 11 -7.803 -1.711 -6.370 84 1HG2 THR 11 1HG2 THR 11 -9.574 -2.924 -6.568 85 2HG2 THR 11 2HG2 THR 11 -9.721 -2.386 -4.894 86 3HG2 THR 11 3HG2 THR 11 -9.886 -4.097 -5.288 87 H GLY 12 H GLY 12 -7.558 -5.705 -3.078 88 1HA GLY 12 1HA GLY 12 -8.948 -7.028 -1.733 89 2HA GLY 12 2HA GLY 12 -9.451 -5.536 -0.941 90 HA PRO 13 HA PRO 13 -12.828 -7.216 -3.736 91 1HB PRO 13 1HB PRO 13 -14.280 -8.676 -1.931 92 2HB PRO 13 2HB PRO 13 -12.976 -9.373 -2.910 93 1HG PRO 13 1HG PRO 13 -13.015 -8.612 -0.052 94 2HG PRO 13 2HG PRO 13 -12.092 -9.879 -0.874 95 1HD PRO 13 1HD PRO 13 -11.133 -7.367 -0.059 96 2HD PRO 13 2HD PRO 13 -10.320 -8.499 -1.160 97 H CYS 14 H CYS 14 -13.417 -4.932 -3.594 98 HA CYS 14 HA CYS 14 -15.759 -4.435 -1.887 99 1HB CYS 14 1HB CYS 14 -13.017 -3.401 -1.354 100 2HB CYS 14 2HB CYS 14 -14.333 -2.240 -1.180 101 H LYS 15 H LYS 15 -16.570 -2.108 -2.347 102 HA LYS 15 HA LYS 15 -16.150 -1.535 -5.245 103 1HB LYS 15 1HB LYS 15 -18.385 -1.873 -3.655 104 2HB LYS 15 2HB LYS 15 -18.259 -0.116 -3.764 105 1HG LYS 15 1HG LYS 15 -19.616 -0.992 -5.618 106 2HG LYS 15 2HG LYS 15 -18.115 -0.303 -6.235 107 1HD LYS 15 1HD LYS 15 -17.405 -2.307 -7.015 108 2HD LYS 15 2HD LYS 15 -17.855 -3.133 -5.521 109 1HE LYS 15 1HE LYS 15 -20.328 -2.634 -6.532 110 2HE LYS 15 2HE LYS 15 -19.403 -2.799 -8.038 111 1HZ LYS 15 1HZ LYS 15 -18.344 -4.787 -6.743 112 2HZ LYS 15 2HZ LYS 15 -19.838 -4.991 -7.527 113 3HZ LYS 15 3HZ LYS 15 -19.784 -4.734 -5.848 114 H ALA 16 H ALA 16 -15.385 -0.324 -2.126 115 HA ALA 16 HA ALA 16 -15.430 2.467 -2.390 116 1HB ALA 16 1HB ALA 16 -13.322 0.664 -1.154 117 2HB ALA 16 2HB ALA 16 -14.809 1.196 -0.370 118 3HB ALA 16 3HB ALA 16 -13.554 2.369 -0.767 119 H ARG 17 H ARG 17 -13.439 3.882 -2.756 120 HA ARG 17 HA ARG 17 -11.482 2.836 -4.714 121 1HB ARG 17 1HB ARG 17 -13.787 3.707 -5.717 122 2HB ARG 17 2HB ARG 17 -13.051 5.288 -5.454 123 1HG ARG 17 1HG ARG 17 -10.999 4.343 -6.692 124 2HG ARG 17 2HG ARG 17 -12.059 3.027 -7.197 125 1HD ARG 17 1HD ARG 17 -13.446 4.475 -8.452 126 2HD ARG 17 2HD ARG 17 -12.871 5.916 -7.590 127 HE ARG 17 HE ARG 17 -11.180 4.309 -9.481 128 1HH1 ARG 17 1HH2 ARG 17 -12.686 7.212 -9.399 129 2HH1 ARG 17 2HH2 ARG 17 -11.271 8.197 -9.551 130 1HH2 ARG 17 1HH1 ARG 17 -9.066 5.575 -9.006 131 2HH2 ARG 17 2HH1 ARG 17 -9.220 7.271 -9.327 132 H ILE 18 H ILE 18 -10.407 3.453 -2.513 133 HA ILE 18 HA ILE 18 -9.929 6.384 -2.277 134 HB ILE 18 HB ILE 18 -9.234 4.006 -0.522 135 1HG1 ILE 18 1HG1 ILE 18 -11.106 5.990 0.511 136 2HG1 ILE 18 2HG1 ILE 18 -11.689 5.262 -0.986 137 1HG2 ILE 18 1HG2 ILE 18 -8.786 6.974 -0.254 138 2HG2 ILE 18 2HG2 ILE 18 -7.657 5.656 0.050 139 3HG2 ILE 18 3HG2 ILE 18 -8.976 5.963 1.179 140 1HD1 ILE 18 1HD1 ILE 18 -11.025 3.003 0.095 141 2HD1 ILE 18 2HD1 ILE 18 -12.475 3.803 0.701 142 3HD1 ILE 18 3HD1 ILE 18 -10.969 3.905 1.611 143 H ILE 19 H ILE 19 -7.725 7.176 -2.184 144 HA ILE 19 HA ILE 19 -5.866 5.640 -3.911 145 HB ILE 19 HB ILE 19 -5.913 8.471 -2.818 146 1HG1 ILE 19 1HG1 ILE 19 -7.637 7.729 -4.564 147 2HG1 ILE 19 2HG1 ILE 19 -6.641 9.119 -4.998 148 1HG2 ILE 19 1HG2 ILE 19 -3.690 8.408 -3.284 149 2HG2 ILE 19 2HG2 ILE 19 -4.205 8.468 -4.969 150 3HG2 ILE 19 3HG2 ILE 19 -3.836 6.918 -4.216 151 1HD1 ILE 19 1HD1 ILE 19 -5.730 6.352 -5.738 152 2HD1 ILE 19 2HD1 ILE 19 -5.364 7.890 -6.520 153 3HD1 ILE 19 3HD1 ILE 19 -6.955 7.156 -6.721 154 H ARG 20 H ARG 20 -5.185 4.052 -2.283 155 HA ARG 20 HA ARG 20 -3.842 5.073 0.150 156 1HB ARG 20 1HB ARG 20 -4.699 2.431 -0.976 157 2HB ARG 20 2HB ARG 20 -3.483 2.461 0.303 158 1HG ARG 20 1HG ARG 20 -6.162 3.872 0.475 159 2HG ARG 20 2HG ARG 20 -5.846 2.275 1.157 160 1HD ARG 20 1HD ARG 20 -4.667 3.148 2.918 161 2HD ARG 20 2HD ARG 20 -3.857 4.350 1.892 162 HE ARG 20 HE ARG 20 -5.916 5.717 2.028 163 1HH1 ARG 20 1HH1 ARG 20 -6.685 2.735 3.356 164 2HH1 ARG 20 2HH1 ARG 20 -7.469 3.365 4.767 165 1HH2 ARG 20 1HH2 ARG 20 -6.496 6.639 4.171 166 2HH2 ARG 20 2HH2 ARG 20 -7.364 5.574 5.226 167 H TYR 21 H TYR 21 -1.650 3.893 0.623 168 HA TYR 21 HA TYR 21 0.071 4.124 -1.823 169 1HB TYR 21 1HB TYR 21 0.410 4.842 1.089 170 2HB TYR 21 2HB TYR 21 1.802 4.691 0.017 171 HD1 TYR 21 1HD TYR 21 2.279 6.341 -1.659 172 HD2 TYR 21 2HD TYR 21 -1.359 6.538 0.616 173 HE1 TYR 21 1HE TYR 21 1.861 8.629 -2.523 174 HE2 TYR 21 2HE TYR 21 -1.776 8.824 -0.247 175 HH TYR 21 HH TYR 21 -1.105 10.166 -2.291 176 H PHE 22 H PHE 22 1.724 2.593 -2.100 177 HA PHE 22 HA PHE 22 2.064 0.423 -0.105 178 1HB PHE 22 1HB PHE 22 1.377 -1.287 -1.599 179 2HB PHE 22 2HB PHE 22 0.169 -0.033 -1.811 180 HD1 PHE 22 1HD PHE 22 2.914 -1.868 -3.357 181 HD2 PHE 22 2HD PHE 22 0.260 1.483 -3.795 182 HE1 PHE 22 1HE PHE 22 3.476 -1.738 -5.769 183 HE2 PHE 22 2HE PHE 22 0.823 1.612 -6.206 184 HZ PHE 22 HZ PHE 22 2.432 0.001 -7.193 185 H TYR 23 H TYR 23 4.027 -0.879 -0.658 186 HA TYR 23 HA TYR 23 6.072 0.854 -1.923 187 1HB TYR 23 1HB TYR 23 6.367 -0.301 0.280 188 2HB TYR 23 2HB TYR 23 6.314 -1.850 -0.566 189 HD1 TYR 23 1HD TYR 23 8.268 -2.725 -1.570 190 HD2 TYR 23 2HD TYR 23 8.109 1.431 -0.491 191 HE1 TYR 23 1HE TYR 23 10.675 -2.491 -2.127 192 HE2 TYR 23 2HE TYR 23 10.511 1.668 -1.056 193 HH TYR 23 HH TYR 23 12.250 -0.726 -2.760 194 H ASN 24 H ASN 24 6.150 0.656 -4.157 195 HA ASN 24 HA ASN 24 5.564 -1.885 -5.507 196 1HB ASN 24 1HB ASN 24 4.960 0.265 -6.502 197 2HB ASN 24 2HB ASN 24 6.634 0.810 -6.417 198 1HD2 ASN 24 1HD2 ASN 24 5.011 0.514 -8.888 199 2HD2 ASN 24 2HD2 ASN 24 5.814 -0.632 -9.850 200 H ALA 25 H ALA 25 7.279 -3.251 -4.549 201 HA ALA 25 HA ALA 25 9.996 -2.738 -4.355 202 1HB ALA 25 1HB ALA 25 10.043 -4.983 -3.997 203 2HB ALA 25 2HB ALA 25 9.400 -5.328 -5.604 204 3HB ALA 25 3HB ALA 25 8.303 -4.934 -4.281 205 H LYS 26 H LYS 26 8.097 -3.122 -7.262 206 HA LYS 26 HA LYS 26 10.299 -3.530 -9.098 207 1HB LYS 26 1HB LYS 26 7.491 -3.487 -9.096 208 2HB LYS 26 2HB LYS 26 7.960 -2.169 -10.172 209 1HG LYS 26 1HG LYS 26 9.318 -3.662 -11.504 210 2HG LYS 26 2HG LYS 26 9.094 -4.975 -10.346 211 1HD LYS 26 1HD LYS 26 6.648 -4.923 -10.815 212 2HD LYS 26 2HD LYS 26 6.930 -3.674 -12.028 213 1HE LYS 26 1HE LYS 26 7.966 -5.161 -13.500 214 2HE LYS 26 2HE LYS 26 8.487 -6.245 -12.194 215 1HZ LYS 26 1HZ LYS 26 5.652 -5.748 -12.958 216 2HZ LYS 26 2HZ LYS 26 6.215 -6.880 -11.824 217 3HZ LYS 26 3HZ LYS 26 6.550 -7.091 -13.476 218 H ALA 27 H ALA 27 8.755 -0.718 -7.636 219 HA ALA 27 HA ALA 27 10.207 1.163 -9.412 220 1HB ALA 27 1HB ALA 27 8.506 2.540 -8.809 221 2HB ALA 27 2HB ALA 27 8.775 2.233 -7.093 222 3HB ALA 27 3HB ALA 27 7.782 1.127 -8.042 223 H GLY 28 H GLY 28 10.228 0.038 -6.045 224 1HA GLY 28 1HA GLY 28 12.274 -0.039 -4.740 225 2HA GLY 28 2HA GLY 28 12.923 1.263 -5.738 226 H LEU 29 H LEU 29 9.790 2.087 -5.107 227 HA LEU 29 HA LEU 29 10.382 3.365 -2.479 228 1HB LEU 29 1HB LEU 29 9.585 5.510 -3.441 229 2HB LEU 29 2HB LEU 29 10.990 4.909 -4.321 230 HG LEU 29 HG LEU 29 8.484 3.860 -5.393 231 1HD1 LEU 29 1HD1 LEU 29 7.561 6.000 -4.675 232 2HD1 LEU 29 2HD1 LEU 29 7.791 6.035 -6.423 233 3HD1 LEU 29 3HD1 LEU 29 8.936 6.861 -5.367 234 1HD2 LEU 29 1HD2 LEU 29 11.096 4.500 -6.231 235 2HD2 LEU 29 2HD2 LEU 29 10.038 5.587 -7.130 236 3HD2 LEU 29 3HD2 LEU 29 9.799 3.842 -7.227 237 H CYS 30 H CYS 30 7.871 4.968 -2.957 238 HA CYS 30 HA CYS 30 5.914 2.735 -2.554 239 1HB CYS 30 1HB CYS 30 6.136 5.522 -1.385 240 2HB CYS 30 2HB CYS 30 4.746 4.466 -1.126 241 H GLN 31 H GLN 31 3.828 3.003 -3.482 242 HA GLN 31 HA GLN 31 3.453 5.318 -5.332 243 1HB GLN 31 1HB GLN 31 3.186 2.365 -5.979 244 2HB GLN 31 2HB GLN 31 2.766 3.680 -7.077 245 1HG GLN 31 1HG GLN 31 5.137 4.506 -6.867 246 2HG GLN 31 2HG GLN 31 5.508 3.053 -5.939 247 1HE2 GLN 31 1HE2 GLN 31 6.485 3.893 -8.691 248 2HE2 GLN 31 2HE2 GLN 31 6.071 2.602 -9.714 249 H THR 32 H THR 32 1.104 5.386 -6.087 250 HA THR 32 HA THR 32 -0.653 4.693 -3.797 251 HB THR 32 HB THR 32 -2.144 6.200 -5.496 252 HG1 THR 32 1HG THR 32 -0.756 7.637 -6.521 253 1HG2 THR 32 1HG2 THR 32 -0.516 6.613 -3.156 254 2HG2 THR 32 2HG2 THR 32 -1.997 7.447 -3.631 255 3HG2 THR 32 3HG2 THR 32 -0.432 8.039 -4.191 256 H PHE 33 H PHE 33 -2.534 3.451 -4.049 257 HA PHE 33 HA PHE 33 -3.091 2.253 -6.722 258 1HB PHE 33 1HB PHE 33 -2.879 0.035 -5.889 259 2HB PHE 33 2HB PHE 33 -1.477 0.885 -5.256 260 HD1 PHE 33 1HD PHE 33 -1.353 1.519 -2.851 261 HD2 PHE 33 2HD PHE 33 -4.688 -0.682 -4.441 262 HE1 PHE 33 1HE PHE 33 -2.059 0.933 -0.559 263 HE2 PHE 33 2HE PHE 33 -5.388 -1.272 -2.139 264 HZ PHE 33 HZ PHE 33 -4.074 -0.467 -0.196 265 H VAL 34 H VAL 34 -5.244 1.195 -6.763 266 HA VAL 34 HA VAL 34 -7.234 2.774 -5.341 267 HB VAL 34 HB VAL 34 -7.351 0.353 -7.169 268 1HG1 VAL 34 1HG1 VAL 34 -9.559 0.202 -6.754 269 2HG1 VAL 34 2HG1 VAL 34 -9.766 1.913 -7.125 270 3HG1 VAL 34 3HG1 VAL 34 -9.380 1.409 -5.480 271 1HG2 VAL 34 1HG2 VAL 34 -6.625 2.916 -7.755 272 2HG2 VAL 34 2HG2 VAL 34 -8.372 3.012 -7.983 273 3HG2 VAL 34 3HG2 VAL 34 -7.425 1.842 -8.902 274 H TYR 35 H TYR 35 -7.476 2.352 -3.163 275 HA TYR 35 HA TYR 35 -7.207 -0.375 -2.092 276 1HB TYR 35 1HB TYR 35 -6.334 1.563 -0.902 277 2HB TYR 35 2HB TYR 35 -7.917 2.335 -0.919 278 HD1 TYR 35 1HD TYR 35 -7.355 -1.287 -0.352 279 HD2 TYR 35 2HD TYR 35 -8.217 2.511 1.464 280 HE1 TYR 35 1HE TYR 35 -7.934 -2.432 1.772 281 HE2 TYR 35 2HE TYR 35 -8.792 1.366 3.587 282 HH TYR 35 HH TYR 35 -8.986 -0.573 4.631 283 H GLY 36 H GLY 36 -8.941 -1.614 -1.245 284 1HA GLY 36 1HA GLY 36 -11.611 -0.918 -2.289 285 2HA GLY 36 2HA GLY 36 -11.145 -2.467 -1.589 286 H ALA 37 H ALA 37 -9.987 -0.087 0.435 287 HA ALA 37 HA ALA 37 -10.775 0.820 2.479 288 1HB ALA 37 1HB ALA 37 -13.033 1.512 2.498 289 2HB ALA 37 2HB ALA 37 -13.548 0.146 1.508 290 3HB ALA 37 3HB ALA 37 -12.631 1.466 0.782 291 H CYS 38 H CYS 38 -10.700 -2.286 1.723 292 HA CYS 38 HA CYS 38 -11.499 -3.154 4.431 293 1HB CYS 38 1HB CYS 38 -13.106 -4.793 3.580 294 2HB CYS 38 2HB CYS 38 -13.564 -3.184 3.022 295 H ARG 39 H ARG 39 -10.987 -5.580 4.668 296 HA ARG 39 HA ARG 39 -9.210 -7.160 4.659 297 1HB ARG 39 1HB ARG 39 -10.253 -6.776 1.866 298 2HB ARG 39 2HB ARG 39 -8.940 -7.918 2.148 299 1HG ARG 39 1HG ARG 39 -10.836 -8.399 4.184 300 2HG ARG 39 2HG ARG 39 -11.762 -8.222 2.692 301 1HD ARG 39 1HD ARG 39 -10.993 -10.208 1.888 302 2HD ARG 39 2HD ARG 39 -9.320 -9.822 2.336 303 HE ARG 39 HE ARG 39 -10.062 -10.418 4.726 304 1HH1 ARG 39 1HH2 ARG 39 -12.953 -10.873 3.862 305 2HH1 ARG 39 2HH2 ARG 39 -13.012 -12.602 3.782 306 1HH2 ARG 39 1HH1 ARG 39 -9.564 -12.984 3.809 307 2HH2 ARG 39 2HH1 ARG 39 -11.093 -13.797 3.752 308 H ALA 40 H ALA 40 -8.246 -4.406 4.679 309 HA ALA 40 HA ALA 40 -6.142 -4.080 2.695 310 1HB ALA 40 1HB ALA 40 -6.429 -2.010 3.549 311 2HB ALA 40 2HB ALA 40 -5.632 -2.552 5.026 312 3HB ALA 40 3HB ALA 40 -7.386 -2.661 4.881 313 H LYS 41 H LYS 41 -3.895 -4.425 2.995 314 HA LYS 41 HA LYS 41 -3.167 -6.146 5.346 315 1HB LYS 41 1HB LYS 41 -2.002 -6.037 2.544 316 2HB LYS 41 2HB LYS 41 -1.577 -7.201 3.801 317 1HG LYS 41 1HG LYS 41 -3.785 -8.157 3.761 318 2HG LYS 41 2HG LYS 41 -4.390 -6.858 2.732 319 1HD LYS 41 1HD LYS 41 -3.419 -7.730 0.833 320 2HD LYS 41 2HD LYS 41 -2.062 -8.427 1.721 321 1HE LYS 41 1HE LYS 41 -4.908 -9.495 1.837 322 2HE LYS 41 2HE LYS 41 -3.615 -10.181 0.832 323 1HZ LYS 41 1HZ LYS 41 -3.381 -11.364 2.790 324 2HZ LYS 41 2HZ LYS 41 -3.837 -10.055 3.773 325 3HZ LYS 41 3HZ LYS 41 -2.298 -10.086 3.054 326 H ARG 42 H ARG 42 -0.399 -6.039 5.069 327 HA ARG 42 HA ARG 42 0.236 -3.480 6.240 328 1HB ARG 42 1HB ARG 42 2.133 -5.513 5.042 329 2HB ARG 42 2HB ARG 42 2.449 -4.407 6.375 330 1HG ARG 42 1HG ARG 42 0.400 -5.636 7.488 331 2HG ARG 42 2HG ARG 42 0.794 -6.914 6.337 332 1HD ARG 42 1HD ARG 42 3.280 -6.227 7.373 333 2HD ARG 42 2HD ARG 42 2.208 -6.119 8.783 334 HE ARG 42 HE ARG 42 2.817 -8.552 7.246 335 1HH1 ARG 42 1HH2 ARG 42 -0.226 -7.956 7.554 336 2HH1 ARG 42 2HH2 ARG 42 -0.581 -8.933 8.939 337 1HH2 ARG 42 1HH1 ARG 42 2.745 -9.377 9.808 338 2HH2 ARG 42 2HH1 ARG 42 1.100 -9.739 10.215 339 H ASN 43 H ASN 43 0.133 -4.619 2.953 340 HA ASN 43 HA ASN 43 1.895 -2.450 1.971 341 1HB ASN 43 1HB ASN 43 1.506 -4.986 1.177 342 2HB ASN 43 2HB ASN 43 0.276 -4.208 0.178 343 1HD2 ASN 43 1HD2 ASN 43 3.726 -3.662 1.123 344 2HD2 ASN 43 2HD2 ASN 43 4.216 -3.143 -0.418 345 H ASN 44 H ASN 44 -0.167 -1.237 3.228 346 HA ASN 44 HA ASN 44 -1.631 0.079 1.022 347 1HB ASN 44 1HB ASN 44 -3.086 -1.790 1.505 348 2HB ASN 44 2HB ASN 44 -2.914 -1.548 3.242 349 1HD2 ASN 44 1HD2 ASN 44 -5.487 -1.584 1.985 350 2HD2 ASN 44 2HD2 ASN 44 -6.168 -0.023 2.110 351 H PHE 45 H PHE 45 -0.048 1.692 2.012 352 HA PHE 45 HA PHE 45 -0.734 2.700 4.707 353 1HB PHE 45 1HB PHE 45 1.255 3.770 2.690 354 2HB PHE 45 2HB PHE 45 1.302 3.937 4.446 355 HD1 PHE 45 1HD PHE 45 2.037 1.776 1.594 356 HD2 PHE 45 2HD PHE 45 1.773 1.938 5.880 357 HE1 PHE 45 1HE PHE 45 3.309 -0.349 1.753 358 HE2 PHE 45 2HE PHE 45 3.046 -0.187 6.040 359 HZ PHE 45 HZ PHE 45 3.811 -1.338 3.974 360 H LYS 46 H LYS 46 -1.595 4.789 5.081 361 HA LYS 46 HA LYS 46 -3.310 5.861 2.976 362 1HB LYS 46 1HB LYS 46 -4.173 5.904 5.172 363 2HB LYS 46 2HB LYS 46 -2.654 6.487 5.851 364 1HG LYS 46 1HG LYS 46 -3.965 8.239 3.834 365 2HG LYS 46 2HG LYS 46 -4.764 8.109 5.402 366 1HD LYS 46 1HD LYS 46 -2.226 8.439 6.243 367 2HD LYS 46 2HD LYS 46 -2.120 9.294 4.703 368 1HE LYS 46 1HE LYS 46 -3.081 11.077 5.730 369 2HE LYS 46 2HE LYS 46 -4.563 10.113 5.888 370 1HZ LYS 46 1HZ LYS 46 -2.254 10.205 7.764 371 2HZ LYS 46 2HZ LYS 46 -3.520 9.077 7.880 372 3HZ LYS 46 3HZ LYS 46 -3.834 10.737 8.071 373 H SER 47 H SER 47 -0.112 6.546 4.177 374 HA SER 47 HA SER 47 0.017 8.909 2.340 375 1HB SER 47 1HB SER 47 1.255 10.110 4.064 376 2HB SER 47 2HB SER 47 -0.267 9.549 4.746 377 HG SER 47 HG SER 47 1.006 7.629 5.402 378 H ALA 48 H ALA 48 2.177 9.328 1.533 379 HA ALA 48 HA ALA 48 3.710 6.988 0.893 380 1HB ALA 48 1HB ALA 48 3.767 8.883 -0.560 381 2HB ALA 48 2HB ALA 48 5.372 8.818 0.168 382 3HB ALA 48 3HB ALA 48 4.181 9.974 0.763 383 H GLU 49 H GLU 49 3.813 9.257 3.555 384 HA GLU 49 HA GLU 49 6.503 8.619 4.444 385 1HB GLU 49 1HB GLU 49 4.543 10.509 4.976 386 2HB GLU 49 2HB GLU 49 4.567 9.540 6.450 387 1HG GLU 49 1HG GLU 49 6.218 11.201 6.822 388 2HG GLU 49 2HG GLU 49 7.142 9.782 6.328 389 H ASP 50 H ASP 50 3.320 7.222 4.894 390 HA ASP 50 HA ASP 50 4.039 5.598 7.217 391 1HB ASP 50 1HB ASP 50 1.740 6.256 6.849 392 2HB ASP 50 2HB ASP 50 1.761 5.601 5.212 393 H CYS 51 H CYS 51 4.033 5.244 3.716 394 HA CYS 51 HA CYS 51 4.618 2.356 3.768 395 1HB CYS 51 1HB CYS 51 3.355 3.279 1.927 396 2HB CYS 51 2HB CYS 51 4.549 4.547 1.667 397 H MET 52 H MET 52 6.360 5.372 2.936 398 HA MET 52 HA MET 52 8.908 4.132 2.443 399 1HB MET 52 1HB MET 52 8.203 6.386 1.690 400 2HB MET 52 2HB MET 52 8.178 6.931 3.368 401 1HG MET 52 1HG MET 52 10.456 7.057 3.487 402 2HG MET 52 2HG MET 52 10.684 5.618 2.493 403 1HE MET 52 1HE MET 52 9.159 6.647 -0.615 404 2HE MET 52 2HE MET 52 9.936 5.398 0.353 405 3HE MET 52 3HE MET 52 10.881 6.302 -0.827 406 H ARG 53 H ARG 53 7.532 5.694 5.354 407 HA ARG 53 HA ARG 53 9.798 5.471 7.049 408 1HB ARG 53 1HB ARG 53 7.848 6.780 7.625 409 2HB ARG 53 2HB ARG 53 6.808 5.359 7.529 410 1HG ARG 53 1HG ARG 53 7.263 4.809 9.664 411 2HG ARG 53 2HG ARG 53 9.000 4.891 9.366 412 1HD ARG 53 1HD ARG 53 8.867 6.673 10.828 413 2HD ARG 53 2HD ARG 53 8.347 7.553 9.376 414 HE ARG 53 HE ARG 53 5.979 6.618 10.128 415 1HH1 ARG 53 1HH2 ARG 53 8.207 6.423 12.597 416 2HH1 ARG 53 2HH2 ARG 53 7.355 7.453 13.700 417 1HH2 ARG 53 1HH1 ARG 53 5.020 8.483 11.354 418 2HH2 ARG 53 2HH1 ARG 53 5.554 8.616 12.997 419 H THR 54 H THR 54 7.507 3.081 5.935 420 HA THR 54 HA THR 54 8.350 1.075 7.938 421 HB THR 54 HB THR 54 6.361 1.246 5.670 422 HG1 THR 54 1HG THR 54 4.961 0.791 7.454 423 1HG2 THR 54 1HG2 THR 54 5.722 -1.052 6.053 424 2HG2 THR 54 2HG2 THR 54 6.896 -1.209 7.360 425 3HG2 THR 54 3HG2 THR 54 7.448 -1.021 5.695 426 H CYS 55 H CYS 55 8.571 1.637 4.420 427 HA CYS 55 HA CYS 55 10.784 -0.394 4.347 428 1HB CYS 55 1HB CYS 55 8.291 -0.592 3.235 429 2HB CYS 55 2HB CYS 55 9.217 0.091 1.898 430 H GLY 56 H GLY 56 11.275 2.379 4.761 431 1HA GLY 56 1HA GLY 56 12.190 3.317 2.078 432 2HA GLY 56 2HA GLY 56 11.959 4.361 3.481 433 H GLY 57 H GLY 57 13.965 5.097 4.032 434 1HA GLY 57 1HA GLY 57 16.184 5.014 4.803 435 2HA GLY 57 2HA GLY 57 15.945 3.286 5.068 436 H ALA 58 H ALA 58 15.544 4.937 1.963 437 HA ALA 58 HA ALA 58 17.702 3.193 0.855 438 1HB ALA 58 1HB ALA 58 16.246 2.953 -0.859 439 2HB ALA 58 2HB ALA 58 16.133 4.701 -1.063 440 3HB ALA 58 3HB ALA 58 15.077 3.879 0.085 Start of MODEL 18 1 1H ARG 1 1H ARG 1 14.296 -5.547 6.788 2 2H ARG 1 2H ARG 1 14.919 -4.770 5.411 3 3H ARG 1 3H ARG 1 14.333 -6.360 5.300 4 HA ARG 1 HA ARG 1 12.549 -4.159 6.151 5 1HB ARG 1 1HB ARG 1 13.481 -3.334 4.134 6 2HB ARG 1 2HB ARG 1 13.568 -4.939 3.415 7 1HG ARG 1 1HG ARG 1 10.944 -4.882 3.669 8 2HG ARG 1 2HG ARG 1 11.186 -3.138 3.760 9 1HD ARG 1 1HD ARG 1 11.981 -4.989 1.488 10 2HD ARG 1 2HD ARG 1 10.843 -3.627 1.431 11 HE ARG 1 HE ARG 1 12.780 -2.123 1.817 12 1HH1 ARG 1 1HH1 ARG 1 13.276 -4.073 -0.587 13 2HH1 ARG 1 2HH1 ARG 1 14.961 -4.397 -0.354 14 1HH2 ARG 1 1HH2 ARG 1 15.033 -3.116 2.869 15 2HH2 ARG 1 2HH2 ARG 1 15.957 -3.854 1.603 16 HA PRO 2 HA PRO 2 9.746 -7.536 6.414 17 1HB PRO 2 1HB PRO 2 7.419 -6.213 5.813 18 2HB PRO 2 2HB PRO 2 8.231 -6.094 7.381 19 1HG PRO 2 1HG PRO 2 8.315 -4.241 5.033 20 2HG PRO 2 2HG PRO 2 8.175 -3.856 6.758 21 1HD PRO 2 1HD PRO 2 10.511 -3.646 5.406 22 2HD PRO 2 2HD PRO 2 10.447 -4.127 7.118 23 H ASP 3 H ASP 3 8.391 -8.878 5.052 24 HA ASP 3 HA ASP 3 9.090 -8.708 2.210 25 1HB ASP 3 1HB ASP 3 8.128 -10.910 2.150 26 2HB ASP 3 2HB ASP 3 8.976 -10.784 3.692 27 H PHE 4 H PHE 4 6.329 -7.950 4.258 28 HA PHE 4 HA PHE 4 4.335 -7.960 2.169 29 1HB PHE 4 1HB PHE 4 2.954 -6.915 3.817 30 2HB PHE 4 2HB PHE 4 4.033 -7.987 4.704 31 HD1 PHE 4 1HD PHE 4 5.269 -7.160 6.487 32 HD2 PHE 4 2HD PHE 4 3.793 -4.410 3.525 33 HE1 PHE 4 1HE PHE 4 6.068 -5.250 7.851 34 HE2 PHE 4 2HE PHE 4 4.602 -2.520 4.892 35 HZ PHE 4 HZ PHE 4 5.729 -2.927 7.044 36 H CYS 5 H CYS 5 6.932 -5.837 2.829 37 HA CYS 5 HA CYS 5 5.698 -3.457 1.638 38 1HB CYS 5 1HB CYS 5 8.326 -4.310 2.785 39 2HB CYS 5 2HB CYS 5 8.318 -2.906 1.716 40 H LEU 6 H LEU 6 7.669 -6.176 0.610 41 HA LEU 6 HA LEU 6 8.360 -4.988 -1.989 42 1HB LEU 6 1HB LEU 6 8.534 -7.860 -1.022 43 2HB LEU 6 2HB LEU 6 9.474 -7.116 -2.317 44 HG LEU 6 HG LEU 6 9.559 -6.037 0.500 45 1HD1 LEU 6 1HD1 LEU 6 10.386 -8.110 1.042 46 2HD1 LEU 6 2HD1 LEU 6 11.857 -7.433 0.349 47 3HD1 LEU 6 3HD1 LEU 6 10.829 -8.485 -0.623 48 1HD2 LEU 6 1HD2 LEU 6 10.665 -5.274 -1.991 49 2HD2 LEU 6 2HD2 LEU 6 11.997 -5.945 -1.051 50 3HD2 LEU 6 3HD2 LEU 6 11.051 -4.605 -0.406 51 H GLU 7 H GLU 7 5.750 -6.791 -0.625 52 HA GLU 7 HA GLU 7 4.789 -8.017 -3.083 53 1HB GLU 7 1HB GLU 7 4.019 -7.698 -0.253 54 2HB GLU 7 2HB GLU 7 2.648 -7.806 -1.358 55 1HG GLU 7 1HG GLU 7 3.130 -9.974 -1.949 56 2HG GLU 7 2HG GLU 7 4.871 -9.740 -1.791 57 HA PRO 8 HA PRO 8 2.701 -4.575 -4.835 58 1HB PRO 8 1HB PRO 8 0.524 -5.801 -5.965 59 2HB PRO 8 2HB PRO 8 2.165 -5.929 -6.628 60 1HG PRO 8 1HG PRO 8 0.624 -7.851 -4.946 61 2HG PRO 8 2HG PRO 8 1.703 -8.165 -6.314 62 1HD PRO 8 1HD PRO 8 2.421 -8.486 -3.690 63 2HD PRO 8 2HD PRO 8 3.576 -8.120 -4.991 64 HA PRO 9 HA PRO 9 -0.547 -3.208 -2.225 65 1HB PRO 9 1HB PRO 9 -2.323 -1.993 -3.926 66 2HB PRO 9 2HB PRO 9 -0.753 -1.294 -3.484 67 1HG PRO 9 1HG PRO 9 -1.577 -2.744 -5.951 68 2HG PRO 9 2HG PRO 9 -0.484 -1.362 -5.762 69 1HD PRO 9 1HD PRO 9 0.341 -3.955 -6.135 70 2HD PRO 9 2HD PRO 9 1.318 -2.702 -5.338 71 H TYR 10 H TYR 10 -2.983 -3.393 -1.780 72 HA TYR 10 HA TYR 10 -4.126 -5.882 -3.028 73 1HB TYR 10 1HB TYR 10 -3.043 -6.151 -0.767 74 2HB TYR 10 2HB TYR 10 -4.223 -5.010 -0.125 75 HD1 TYR 10 1HD TYR 10 -6.290 -5.783 0.636 76 HD2 TYR 10 2HD TYR 10 -4.005 -8.203 -2.077 77 HE1 TYR 10 1HE TYR 10 -7.940 -7.618 0.885 78 HE2 TYR 10 2HE TYR 10 -5.656 -10.040 -1.830 79 HH TYR 10 HH TYR 10 -7.485 -10.588 0.331 80 H THR 11 H THR 11 -5.600 -4.690 -4.334 81 HA THR 11 HA THR 11 -7.243 -2.533 -3.499 82 HB THR 11 HB THR 11 -7.403 -4.761 -5.524 83 HG1 THR 11 1HG THR 11 -6.280 -3.164 -6.345 84 1HG2 THR 11 1HG2 THR 11 -9.566 -2.693 -5.027 85 2HG2 THR 11 2HG2 THR 11 -9.728 -4.431 -4.775 86 3HG2 THR 11 3HG2 THR 11 -9.500 -3.793 -6.404 87 H GLY 12 H GLY 12 -7.287 -5.928 -2.767 88 1HA GLY 12 1HA GLY 12 -8.685 -7.206 -1.375 89 2HA GLY 12 2HA GLY 12 -9.090 -5.682 -0.584 90 HA PRO 13 HA PRO 13 -12.818 -7.331 -2.811 91 1HB PRO 13 1HB PRO 13 -14.442 -7.413 -0.602 92 2HB PRO 13 2HB PRO 13 -13.411 -8.766 -1.098 93 1HG PRO 13 1HG PRO 13 -13.001 -6.730 1.033 94 2HG PRO 13 2HG PRO 13 -12.599 -8.453 1.026 95 1HD PRO 13 1HD PRO 13 -10.788 -6.421 0.612 96 2HD PRO 13 2HD PRO 13 -10.579 -8.087 0.025 97 H CYS 14 H CYS 14 -15.261 -6.230 -1.722 98 HA CYS 14 HA CYS 14 -16.495 -4.220 -1.693 99 1HB CYS 14 1HB CYS 14 -13.808 -2.995 -0.989 100 2HB CYS 14 2HB CYS 14 -15.407 -2.365 -0.591 101 H LYS 15 H LYS 15 -16.473 -1.951 -2.801 102 HA LYS 15 HA LYS 15 -14.850 -2.042 -5.321 103 1HB LYS 15 1HB LYS 15 -17.780 -2.071 -4.835 104 2HB LYS 15 2HB LYS 15 -17.231 -1.014 -6.135 105 1HG LYS 15 1HG LYS 15 -16.292 -2.800 -7.350 106 2HG LYS 15 2HG LYS 15 -16.237 -3.853 -5.936 107 1HD LYS 15 1HD LYS 15 -18.935 -2.896 -6.682 108 2HD LYS 15 2HD LYS 15 -18.177 -3.974 -7.854 109 1HE LYS 15 1HE LYS 15 -18.334 -5.780 -6.451 110 2HE LYS 15 2HE LYS 15 -17.905 -4.818 -5.021 111 1HZ LYS 15 1HZ LYS 15 -20.467 -4.397 -6.439 112 2HZ LYS 15 2HZ LYS 15 -20.066 -4.013 -4.832 113 3HZ LYS 15 3HZ LYS 15 -20.327 -5.630 -5.283 114 H ALA 16 H ALA 16 -14.712 -0.407 -2.753 115 HA ALA 16 HA ALA 16 -15.661 2.256 -3.263 116 1HB ALA 16 1HB ALA 16 -14.217 2.812 -1.397 117 2HB ALA 16 2HB ALA 16 -13.250 1.360 -1.655 118 3HB ALA 16 3HB ALA 16 -14.911 1.222 -1.080 119 H ARG 17 H ARG 17 -13.519 3.949 -3.083 120 HA ARG 17 HA ARG 17 -11.579 3.268 -5.225 121 1HB ARG 17 1HB ARG 17 -13.576 4.136 -6.372 122 2HB ARG 17 2HB ARG 17 -13.570 5.561 -5.332 123 1HG ARG 17 1HG ARG 17 -11.412 6.253 -6.231 124 2HG ARG 17 2HG ARG 17 -11.298 4.772 -7.182 125 1HD ARG 17 1HD ARG 17 -13.656 6.630 -7.521 126 2HD ARG 17 2HD ARG 17 -12.138 6.914 -8.396 127 HE ARG 17 HE ARG 17 -12.846 4.148 -8.624 128 1HH1 ARG 17 1HH1 ARG 17 -14.086 7.245 -9.485 129 2HH1 ARG 17 2HH1 ARG 17 -14.697 6.723 -11.017 130 1HH2 ARG 17 1HH2 ARG 17 -13.540 3.474 -10.679 131 2HH2 ARG 17 2HH2 ARG 17 -14.388 4.591 -11.693 132 H ILE 18 H ILE 18 -10.336 3.482 -3.066 133 HA ILE 18 HA ILE 18 -9.822 6.353 -2.378 134 HB ILE 18 HB ILE 18 -9.256 3.766 -0.893 135 1HG1 ILE 18 1HG1 ILE 18 -11.341 5.894 -0.329 136 2HG1 ILE 18 2HG1 ILE 18 -11.687 4.394 -1.189 137 1HG2 ILE 18 1HG2 ILE 18 -9.237 6.558 0.248 138 2HG2 ILE 18 2HG2 ILE 18 -7.787 5.859 -0.472 139 3HG2 ILE 18 3HG2 ILE 18 -8.535 5.089 0.926 140 1HD1 ILE 18 1HD1 ILE 18 -11.211 4.854 1.688 141 2HD1 ILE 18 2HD1 ILE 18 -10.361 3.461 1.021 142 3HD1 ILE 18 3HD1 ILE 18 -12.116 3.567 0.890 143 H ILE 19 H ILE 19 -7.666 7.112 -2.410 144 HA ILE 19 HA ILE 19 -5.786 5.513 -4.053 145 HB ILE 19 HB ILE 19 -5.714 8.353 -2.975 146 1HG1 ILE 19 1HG1 ILE 19 -7.594 7.860 -4.547 147 2HG1 ILE 19 2HG1 ILE 19 -6.427 8.995 -5.226 148 1HG2 ILE 19 1HG2 ILE 19 -3.908 8.730 -4.521 149 2HG2 ILE 19 2HG2 ILE 19 -4.103 7.126 -5.228 150 3HG2 ILE 19 3HG2 ILE 19 -3.491 7.296 -3.582 151 1HD1 ILE 19 1HD1 ILE 19 -7.294 6.606 -6.398 152 2HD1 ILE 19 2HD1 ILE 19 -5.685 6.232 -5.781 153 3HD1 ILE 19 3HD1 ILE 19 -5.909 7.573 -6.905 154 H ARG 20 H ARG 20 -5.318 3.941 -2.291 155 HA ARG 20 HA ARG 20 -4.022 4.906 0.157 156 1HB ARG 20 1HB ARG 20 -4.678 2.262 -1.127 157 2HB ARG 20 2HB ARG 20 -3.642 2.322 0.301 158 1HG ARG 20 1HG ARG 20 -6.379 3.621 0.147 159 2HG ARG 20 2HG ARG 20 -6.098 2.012 0.814 160 1HD ARG 20 1HD ARG 20 -5.154 2.851 2.733 161 2HD ARG 20 2HD ARG 20 -4.332 4.163 1.865 162 HE ARG 20 HE ARG 20 -6.627 5.254 1.711 163 1HH1 ARG 20 1HH2 ARG 20 -6.888 2.382 3.425 164 2HH1 ARG 20 2HH2 ARG 20 -7.711 3.063 4.789 165 1HH2 ARG 20 1HH1 ARG 20 -7.293 6.342 3.741 166 2HH2 ARG 20 2HH1 ARG 20 -7.941 5.305 4.968 167 H TYR 21 H TYR 21 -1.774 3.976 0.693 168 HA TYR 21 HA TYR 21 -0.020 4.264 -1.716 169 1HB TYR 21 1HB TYR 21 0.205 4.970 1.203 170 2HB TYR 21 2HB TYR 21 1.651 4.836 0.203 171 HD1 TYR 21 1HD TYR 21 2.025 6.361 -1.692 172 HD2 TYR 21 2HD TYR 21 -1.393 6.755 0.878 173 HE1 TYR 21 1HE TYR 21 1.622 8.643 -2.580 174 HE2 TYR 21 2HE TYR 21 -1.797 9.038 -0.008 175 HH TYR 21 HH TYR 21 0.416 10.803 -1.614 176 H PHE 22 H PHE 22 1.740 2.848 -1.968 177 HA PHE 22 HA PHE 22 2.135 0.645 -0.029 178 1HB PHE 22 1HB PHE 22 1.523 -1.058 -1.545 179 2HB PHE 22 2HB PHE 22 0.290 0.162 -1.792 180 HD1 PHE 22 1HD PHE 22 3.247 -1.477 -3.213 181 HD2 PHE 22 2HD PHE 22 0.273 1.566 -3.816 182 HE1 PHE 22 1HE PHE 22 3.880 -1.334 -5.607 183 HE2 PHE 22 2HE PHE 22 0.909 1.710 -6.210 184 HZ PHE 22 HZ PHE 22 2.713 0.259 -7.105 185 H TYR 23 H TYR 23 4.177 -0.468 -0.458 186 HA TYR 23 HA TYR 23 6.191 1.320 -1.657 187 1HB TYR 23 1HB TYR 23 6.511 0.107 0.483 188 2HB TYR 23 2HB TYR 23 6.405 -1.430 -0.378 189 HD1 TYR 23 1HD TYR 23 8.459 -2.435 -0.837 190 HD2 TYR 23 2HD TYR 23 8.198 1.852 -0.821 191 HE1 TYR 23 1HE TYR 23 10.863 -2.292 -1.398 192 HE2 TYR 23 2HE TYR 23 10.610 1.997 -1.383 193 HH TYR 23 HH TYR 23 12.737 -0.305 -0.959 194 H ASN 24 H ASN 24 6.564 1.205 -3.853 195 HA ASN 24 HA ASN 24 5.967 -1.287 -5.341 196 1HB ASN 24 1HB ASN 24 5.246 0.898 -6.196 197 2HB ASN 24 2HB ASN 24 6.906 1.483 -6.159 198 1HD2 ASN 24 1HD2 ASN 24 4.956 0.971 -8.498 199 2HD2 ASN 24 2HD2 ASN 24 5.845 -0.007 -9.562 200 H ALA 25 H ALA 25 7.751 -2.620 -4.516 201 HA ALA 25 HA ALA 25 10.455 -1.996 -4.329 202 1HB ALA 25 1HB ALA 25 10.440 -4.514 -5.471 203 2HB ALA 25 2HB ALA 25 8.791 -4.362 -4.869 204 3HB ALA 25 3HB ALA 25 10.152 -4.181 -3.763 205 H LYS 26 H LYS 26 8.595 -2.698 -7.279 206 HA LYS 26 HA LYS 26 10.824 -2.737 -9.088 207 1HB LYS 26 1HB LYS 26 8.729 -3.636 -9.785 208 2HB LYS 26 2HB LYS 26 7.859 -2.179 -9.314 209 1HG LYS 26 1HG LYS 26 8.007 -2.000 -11.663 210 2HG LYS 26 2HG LYS 26 9.332 -0.986 -11.097 211 1HD LYS 26 1HD LYS 26 10.919 -2.394 -11.923 212 2HD LYS 26 2HD LYS 26 10.018 -3.837 -11.456 213 1HE LYS 26 1HE LYS 26 9.928 -3.888 -13.826 214 2HE LYS 26 2HE LYS 26 8.389 -3.117 -13.396 215 1HZ LYS 26 1HZ LYS 26 10.041 -1.981 -15.073 216 2HZ LYS 26 2HZ LYS 26 10.802 -1.456 -13.648 217 3HZ LYS 26 3HZ LYS 26 9.179 -1.049 -13.948 218 H ALA 27 H ALA 27 8.974 -0.132 -7.591 219 HA ALA 27 HA ALA 27 10.210 1.899 -9.371 220 1HB ALA 27 1HB ALA 27 8.643 3.383 -8.312 221 2HB ALA 27 2HB ALA 27 8.401 2.266 -6.969 222 3HB ALA 27 3HB ALA 27 7.786 1.865 -8.572 223 H GLY 28 H GLY 28 10.608 0.514 -6.188 224 1HA GLY 28 1HA GLY 28 12.588 0.746 -4.857 225 2HA GLY 28 2HA GLY 28 13.025 2.174 -5.796 226 H LEU 29 H LEU 29 9.947 2.831 -5.272 227 HA LEU 29 HA LEU 29 10.326 3.874 -2.491 228 1HB LEU 29 1HB LEU 29 9.073 5.396 -4.791 229 2HB LEU 29 2HB LEU 29 9.593 6.033 -3.230 230 HG LEU 29 HG LEU 29 11.910 4.896 -4.157 231 1HD1 LEU 29 1HD1 LEU 29 10.452 4.642 -6.358 232 2HD1 LEU 29 2HD1 LEU 29 12.144 5.132 -6.456 233 3HD1 LEU 29 3HD1 LEU 29 10.866 6.344 -6.565 234 1HD2 LEU 29 1HD2 LEU 29 10.876 7.712 -4.628 235 2HD2 LEU 29 2HD2 LEU 29 12.572 7.237 -4.701 236 3HD2 LEU 29 3HD2 LEU 29 11.694 7.135 -3.176 237 H CYS 30 H CYS 30 7.699 5.310 -2.990 238 HA CYS 30 HA CYS 30 5.909 2.912 -2.758 239 1HB CYS 30 1HB CYS 30 5.974 5.588 -1.344 240 2HB CYS 30 2HB CYS 30 4.576 4.515 -1.270 241 H GLN 31 H GLN 31 3.759 3.172 -3.617 242 HA GLN 31 HA GLN 31 3.319 5.548 -5.373 243 1HB GLN 31 1HB GLN 31 3.017 2.623 -6.139 244 2HB GLN 31 2HB GLN 31 2.681 4.003 -7.187 245 1HG GLN 31 1HG GLN 31 5.263 4.473 -6.218 246 2HG GLN 31 2HG GLN 31 5.232 2.741 -6.555 247 1HE2 GLN 31 1HE2 GLN 31 6.864 4.059 -8.247 248 2HE2 GLN 31 2HE2 GLN 31 6.147 4.325 -9.762 249 H THR 32 H THR 32 0.925 5.457 -6.179 250 HA THR 32 HA THR 32 -0.762 4.755 -3.828 251 HB THR 32 HB THR 32 -2.394 6.220 -5.211 252 HG1 THR 32 1HG THR 32 -1.384 6.121 -7.181 253 1HG2 THR 32 1HG2 THR 32 0.141 7.050 -3.870 254 2HG2 THR 32 2HG2 THR 32 -1.530 7.363 -3.403 255 3HG2 THR 32 3HG2 THR 32 -0.791 8.291 -4.709 256 H PHE 33 H PHE 33 -2.538 3.360 -4.018 257 HA PHE 33 HA PHE 33 -3.050 2.124 -6.689 258 1HB PHE 33 1HB PHE 33 -2.796 -0.067 -5.809 259 2HB PHE 33 2HB PHE 33 -1.429 0.832 -5.172 260 HD1 PHE 33 1HD PHE 33 -4.564 -0.863 -4.376 261 HD2 PHE 33 2HD PHE 33 -1.394 1.565 -2.781 262 HE1 PHE 33 1HE PHE 33 -5.272 -1.442 -2.072 263 HE2 PHE 33 2HE PHE 33 -2.112 1.000 -0.488 264 HZ PHE 33 HZ PHE 33 -4.048 -0.511 -0.128 265 H VAL 34 H VAL 34 -5.174 1.131 -6.827 266 HA VAL 34 HA VAL 34 -7.223 2.630 -5.407 267 HB VAL 34 HB VAL 34 -7.416 0.180 -7.192 268 1HG1 VAL 34 1HG1 VAL 34 -9.599 1.766 -7.680 269 2HG1 VAL 34 2HG1 VAL 34 -9.364 2.021 -5.950 270 3HG1 VAL 34 3HG1 VAL 34 -9.599 0.390 -6.577 271 1HG2 VAL 34 1HG2 VAL 34 -6.133 2.285 -8.036 272 2HG2 VAL 34 2HG2 VAL 34 -7.723 3.048 -8.072 273 3HG2 VAL 34 3HG2 VAL 34 -7.407 1.621 -9.058 274 H TYR 35 H TYR 35 -7.301 2.126 -3.217 275 HA TYR 35 HA TYR 35 -7.116 -0.624 -2.234 276 1HB TYR 35 1HB TYR 35 -6.240 1.270 -0.984 277 2HB TYR 35 2HB TYR 35 -7.816 2.056 -0.996 278 HD1 TYR 35 1HD TYR 35 -7.096 -1.558 -0.472 279 HD2 TYR 35 2HD TYR 35 -8.345 2.141 1.316 280 HE1 TYR 35 1HE TYR 35 -7.720 -2.770 1.599 281 HE2 TYR 35 2HE TYR 35 -8.969 0.929 3.389 282 HH TYR 35 HH TYR 35 -8.673 -1.058 4.514 283 H GLY 36 H GLY 36 -8.873 -1.834 -1.324 284 1HA GLY 36 1HA GLY 36 -11.510 -1.216 -2.466 285 2HA GLY 36 2HA GLY 36 -11.080 -2.679 -1.581 286 H ALA 37 H ALA 37 -9.930 -0.230 0.277 287 HA ALA 37 HA ALA 37 -10.768 0.976 2.141 288 1HB ALA 37 1HB ALA 37 -13.569 0.236 1.409 289 2HB ALA 37 2HB ALA 37 -12.666 1.250 0.284 290 3HB ALA 37 3HB ALA 37 -12.924 1.787 1.944 291 H CYS 38 H CYS 38 -10.880 -2.266 1.682 292 HA CYS 38 HA CYS 38 -11.654 -2.749 4.511 293 1HB CYS 38 1HB CYS 38 -13.168 -4.599 3.729 294 2HB CYS 38 2HB CYS 38 -13.719 -2.995 3.246 295 H ARG 39 H ARG 39 -11.190 -5.147 5.046 296 HA ARG 39 HA ARG 39 -9.418 -6.712 5.300 297 1HB ARG 39 1HB ARG 39 -11.015 -7.100 3.117 298 2HB ARG 39 2HB ARG 39 -9.421 -7.086 2.362 299 1HG ARG 39 1HG ARG 39 -8.982 -9.147 3.159 300 2HG ARG 39 2HG ARG 39 -9.339 -8.624 4.805 301 1HD ARG 39 1HD ARG 39 -11.821 -8.850 3.369 302 2HD ARG 39 2HD ARG 39 -10.898 -10.352 3.163 303 HE ARG 39 HE ARG 39 -10.957 -9.233 5.901 304 1HH1 ARG 39 1HH2 ARG 39 -13.622 -10.279 4.509 305 2HH1 ARG 39 2HH2 ARG 39 -13.727 -11.832 5.271 306 1HH2 ARG 39 1HH1 ARG 39 -10.490 -11.734 6.511 307 2HH2 ARG 39 2HH1 ARG 39 -11.953 -12.656 6.404 308 H ALA 40 H ALA 40 -8.290 -4.148 5.207 309 HA ALA 40 HA ALA 40 -6.300 -3.818 3.139 310 1HB ALA 40 1HB ALA 40 -7.337 -2.457 5.395 311 2HB ALA 40 2HB ALA 40 -6.182 -1.834 4.215 312 3HB ALA 40 3HB ALA 40 -5.605 -2.627 5.681 313 H LYS 41 H LYS 41 -3.974 -4.134 3.385 314 HA LYS 41 HA LYS 41 -3.248 -6.259 5.382 315 1HB LYS 41 1HB LYS 41 -2.017 -5.784 2.656 316 2HB LYS 41 2HB LYS 41 -1.880 -7.223 3.665 317 1HG LYS 41 1HG LYS 41 -4.541 -7.177 3.435 318 2HG LYS 41 2HG LYS 41 -4.149 -6.312 1.947 319 1HD LYS 41 1HD LYS 41 -3.230 -8.164 0.967 320 2HD LYS 41 2HD LYS 41 -2.532 -8.740 2.480 321 1HE LYS 41 1HE LYS 41 -5.516 -8.794 2.239 322 2HE LYS 41 2HE LYS 41 -4.590 -10.015 1.344 323 1HZ LYS 41 1HZ LYS 41 -4.662 -11.009 3.387 324 2HZ LYS 41 2HZ LYS 41 -4.767 -9.539 4.233 325 3HZ LYS 41 3HZ LYS 41 -3.274 -10.062 3.616 326 H ARG 42 H ARG 42 -0.474 -6.195 4.924 327 HA ARG 42 HA ARG 42 0.272 -3.759 6.370 328 1HB ARG 42 1HB ARG 42 2.094 -5.876 5.202 329 2HB ARG 42 2HB ARG 42 2.359 -4.881 6.634 330 1HG ARG 42 1HG ARG 42 0.197 -6.017 7.538 331 2HG ARG 42 2HG ARG 42 0.495 -7.222 6.285 332 1HD ARG 42 1HD ARG 42 2.947 -6.623 7.736 333 2HD ARG 42 2HD ARG 42 1.664 -7.158 8.840 334 HE ARG 42 HE ARG 42 2.595 -8.685 6.433 335 1HH1 ARG 42 1HH2 ARG 42 2.776 -9.192 9.576 336 2HH1 ARG 42 2HH2 ARG 42 1.699 -10.545 9.684 337 1HH2 ARG 42 1HH1 ARG 42 0.404 -10.105 6.498 338 2HH2 ARG 42 2HH1 ARG 42 0.355 -11.060 7.943 339 H ASN 43 H ASN 43 -0.147 -4.505 3.109 340 HA ASN 43 HA ASN 43 1.908 -2.500 2.237 341 1HB ASN 43 1HB ASN 43 1.746 -4.976 1.393 342 2HB ASN 43 2HB ASN 43 0.381 -4.383 0.446 343 1HD2 ASN 43 1HD2 ASN 43 3.861 -3.722 1.083 344 2HD2 ASN 43 2HD2 ASN 43 4.172 -3.054 -0.446 345 H ASN 44 H ASN 44 -0.219 -1.311 3.359 346 HA ASN 44 HA ASN 44 -1.591 0.002 1.081 347 1HB ASN 44 1HB ASN 44 -3.011 -1.920 1.567 348 2HB ASN 44 2HB ASN 44 -2.944 -1.592 3.295 349 1HD2 ASN 44 1HD2 ASN 44 -5.458 -1.769 2.174 350 2HD2 ASN 44 2HD2 ASN 44 -6.177 -0.223 2.070 351 H PHE 45 H PHE 45 -0.180 1.725 2.003 352 HA PHE 45 HA PHE 45 -0.819 2.658 4.743 353 1HB PHE 45 1HB PHE 45 1.114 3.809 2.713 354 2HB PHE 45 2HB PHE 45 1.185 3.945 4.471 355 HD1 PHE 45 1HD PHE 45 2.080 1.948 1.584 356 HD2 PHE 45 2HD PHE 45 1.563 1.831 5.848 357 HE1 PHE 45 1HE PHE 45 3.391 -0.159 1.685 358 HE2 PHE 45 2HE PHE 45 2.873 -0.273 5.951 359 HZ PHE 45 HZ PHE 45 3.784 -1.279 3.868 360 H LYS 46 H LYS 46 -1.853 4.611 5.178 361 HA LYS 46 HA LYS 46 -3.611 5.719 3.164 362 1HB LYS 46 1HB LYS 46 -4.325 5.685 5.432 363 2HB LYS 46 2HB LYS 46 -2.814 6.400 5.998 364 1HG LYS 46 1HG LYS 46 -4.332 8.010 4.026 365 2HG LYS 46 2HG LYS 46 -5.094 7.828 5.607 366 1HD LYS 46 1HD LYS 46 -3.148 8.720 6.721 367 2HD LYS 46 2HD LYS 46 -2.212 8.682 5.227 368 1HE LYS 46 1HE LYS 46 -3.716 10.379 4.236 369 2HE LYS 46 2HE LYS 46 -4.670 10.404 5.731 370 1HZ LYS 46 1HZ LYS 46 -2.806 11.154 6.951 371 2HZ LYS 46 2HZ LYS 46 -2.842 12.123 5.556 372 3HZ LYS 46 3HZ LYS 46 -1.733 10.841 5.675 373 H SER 47 H SER 47 -0.392 6.497 4.284 374 HA SER 47 HA SER 47 -0.378 8.860 2.439 375 1HB SER 47 1HB SER 47 0.904 10.073 4.134 376 2HB SER 47 2HB SER 47 -0.599 9.498 4.845 377 HG SER 47 HG SER 47 1.998 8.723 5.350 378 H ALA 48 H ALA 48 1.787 9.369 1.620 379 HA ALA 48 HA ALA 48 3.335 7.041 0.903 380 1HB ALA 48 1HB ALA 48 4.766 9.518 0.593 381 2HB ALA 48 2HB ALA 48 3.064 9.792 0.218 382 3HB ALA 48 3HB ALA 48 3.970 8.553 -0.651 383 H GLU 49 H GLU 49 3.446 9.288 3.562 384 HA GLU 49 HA GLU 49 6.222 8.861 4.301 385 1HB GLU 49 1HB GLU 49 3.768 10.172 5.352 386 2HB GLU 49 2HB GLU 49 4.994 9.749 6.548 387 1HG GLU 49 1HG GLU 49 5.982 11.704 5.948 388 2HG GLU 49 2HG GLU 49 6.506 10.830 4.507 389 H ASP 50 H ASP 50 3.172 7.248 5.002 390 HA ASP 50 HA ASP 50 4.223 5.674 7.234 391 1HB ASP 50 1HB ASP 50 1.848 6.301 7.004 392 2HB ASP 50 2HB ASP 50 1.756 5.422 5.477 393 H CYS 51 H CYS 51 3.813 5.300 3.754 394 HA CYS 51 HA CYS 51 4.442 2.456 3.674 395 1HB CYS 51 1HB CYS 51 3.131 3.547 1.937 396 2HB CYS 51 2HB CYS 51 4.424 4.703 1.630 397 H MET 52 H MET 52 6.246 5.477 3.056 398 HA MET 52 HA MET 52 8.742 4.222 2.352 399 1HB MET 52 1HB MET 52 7.749 6.664 2.104 400 2HB MET 52 2HB MET 52 8.530 6.915 3.666 401 1HG MET 52 1HG MET 52 10.472 7.232 2.568 402 2HG MET 52 2HG MET 52 10.414 5.540 2.074 403 1HE MET 52 1HE MET 52 10.152 5.265 -1.225 404 2HE MET 52 2HE MET 52 8.479 5.153 -0.686 405 3HE MET 52 3HE MET 52 9.775 4.603 0.372 406 H ARG 53 H ARG 53 7.601 5.696 5.421 407 HA ARG 53 HA ARG 53 9.953 5.063 6.937 408 1HB ARG 53 1HB ARG 53 8.592 5.738 8.795 409 2HB ARG 53 2HB ARG 53 8.034 6.693 7.420 410 1HG ARG 53 1HG ARG 53 5.965 5.904 7.873 411 2HG ARG 53 2HG ARG 53 6.530 4.344 7.275 412 1HD ARG 53 1HD ARG 53 6.117 3.552 9.374 413 2HD ARG 53 2HD ARG 53 7.520 4.502 9.903 414 HE ARG 53 HE ARG 53 5.929 6.391 10.314 415 1HH1 ARG 53 1HH1 ARG 53 5.184 3.822 11.908 416 2HH1 ARG 53 2HH1 ARG 53 3.459 3.868 11.762 417 1HH2 ARG 53 1HH2 ARG 53 3.475 6.207 9.203 418 2HH2 ARG 53 2HH2 ARG 53 2.491 5.218 10.229 419 H THR 54 H THR 54 7.485 3.074 5.677 420 HA THR 54 HA THR 54 7.966 0.935 7.713 421 HB THR 54 HB THR 54 5.801 1.628 5.733 422 HG1 THR 54 1HG THR 54 6.019 2.156 8.132 423 1HG2 THR 54 1HG2 THR 54 4.753 -0.540 6.086 424 2HG2 THR 54 2HG2 THR 54 6.074 -1.042 7.142 425 3HG2 THR 54 3HG2 THR 54 6.368 -0.785 5.422 426 H CYS 55 H CYS 55 8.008 1.596 4.211 427 HA CYS 55 HA CYS 55 9.346 -1.043 3.770 428 1HB CYS 55 1HB CYS 55 8.023 0.893 1.844 429 2HB CYS 55 2HB CYS 55 8.561 -0.745 1.469 430 H GLY 56 H GLY 56 10.132 2.162 4.223 431 1HA GLY 56 1HA GLY 56 11.911 2.887 2.193 432 2HA GLY 56 2HA GLY 56 12.162 3.304 3.890 433 H GLY 57 H GLY 57 13.416 1.569 1.288 434 1HA GLY 57 1HA GLY 57 15.475 0.377 3.024 435 2HA GLY 57 2HA GLY 57 14.524 -0.771 2.081 436 H ALA 58 H ALA 58 15.044 2.356 0.708 437 HA ALA 58 HA ALA 58 16.709 1.142 -1.421 438 1HB ALA 58 1HB ALA 58 15.367 2.529 -2.597 439 2HB ALA 58 2HB ALA 58 16.209 3.895 -1.866 440 3HB ALA 58 3HB ALA 58 14.754 3.247 -1.108 Start of MODEL 19 1 1H ARG 1 1H ARG 1 15.041 -3.837 4.867 2 2H ARG 1 2H ARG 1 14.557 -5.411 5.289 3 3H ARG 1 3H ARG 1 14.308 -4.123 6.369 4 HA ARG 1 HA ARG 1 12.495 -3.330 5.261 5 1HB ARG 1 1HB ARG 1 13.462 -2.704 3.247 6 2HB ARG 1 2HB ARG 1 14.155 -4.297 2.961 7 1HG ARG 1 1HG ARG 1 11.710 -5.092 2.638 8 2HG ARG 1 2HG ARG 1 11.309 -3.381 2.520 9 1HD ARG 1 1HD ARG 1 13.117 -5.009 0.712 10 2HD ARG 1 2HD ARG 1 11.694 -4.046 0.267 11 HE ARG 1 HE ARG 1 13.233 -2.111 1.312 12 1HH1 ARG 1 1HH1 ARG 1 15.670 -3.817 1.239 13 2HH1 ARG 1 2HH1 ARG 1 16.332 -3.464 -0.322 14 1HH2 ARG 1 1HH2 ARG 1 13.403 -2.060 -1.540 15 2HH2 ARG 1 2HH2 ARG 1 15.049 -2.469 -1.896 16 HA PRO 2 HA PRO 2 10.186 -7.038 5.838 17 1HB PRO 2 1HB PRO 2 7.746 -6.081 5.074 18 2HB PRO 2 2HB PRO 2 8.490 -5.681 6.631 19 1HG PRO 2 1HG PRO 2 8.381 -4.100 4.100 20 2HG PRO 2 2HG PRO 2 8.189 -3.551 5.772 21 1HD PRO 2 1HD PRO 2 10.494 -3.241 4.340 22 2HD PRO 2 2HD PRO 2 10.464 -3.428 6.110 23 H ASP 3 H ASP 3 8.905 -8.583 4.533 24 HA ASP 3 HA ASP 3 9.738 -8.542 1.707 25 1HB ASP 3 1HB ASP 3 8.655 -10.456 3.712 26 2HB ASP 3 2HB ASP 3 8.277 -10.795 2.023 27 H PHE 4 H PHE 4 6.869 -7.890 3.619 28 HA PHE 4 HA PHE 4 4.940 -8.315 1.512 29 1HB PHE 4 1HB PHE 4 3.432 -7.095 2.985 30 2HB PHE 4 2HB PHE 4 4.421 -8.200 3.928 31 HD1 PHE 4 1HD PHE 4 4.384 -4.591 2.786 32 HD2 PHE 4 2HD PHE 4 5.515 -7.433 5.807 33 HE1 PHE 4 1HE PHE 4 5.159 -2.752 4.236 34 HE2 PHE 4 2HE PHE 4 6.301 -5.578 7.249 35 HZ PHE 4 HZ PHE 4 6.115 -3.236 6.462 36 H CYS 5 H CYS 5 7.233 -5.790 2.080 37 HA CYS 5 HA CYS 5 5.821 -3.686 0.659 38 1HB CYS 5 1HB CYS 5 8.368 -4.181 1.989 39 2HB CYS 5 2HB CYS 5 8.581 -3.231 0.518 40 H LEU 6 H LEU 6 7.947 -6.345 -0.254 41 HA LEU 6 HA LEU 6 8.423 -5.384 -2.976 42 1HB LEU 6 1HB LEU 6 8.701 -8.171 -1.810 43 2HB LEU 6 2HB LEU 6 9.554 -7.513 -3.207 44 HG LEU 6 HG LEU 6 9.800 -6.450 -0.378 45 1HD1 LEU 6 1HD1 LEU 6 11.276 -8.111 -0.019 46 2HD1 LEU 6 2HD1 LEU 6 12.241 -7.521 -1.372 47 3HD1 LEU 6 3HD1 LEU 6 10.994 -8.738 -1.644 48 1HD2 LEU 6 1HD2 LEU 6 10.262 -4.707 -1.966 49 2HD2 LEU 6 2HD2 LEU 6 11.176 -5.805 -3.000 50 3HD2 LEU 6 3HD2 LEU 6 11.829 -5.319 -1.435 51 H GLU 7 H GLU 7 5.941 -7.159 -1.331 52 HA GLU 7 HA GLU 7 4.875 -8.483 -3.721 53 1HB GLU 7 1HB GLU 7 4.031 -8.090 -0.848 54 2HB GLU 7 2HB GLU 7 2.979 -8.900 -2.010 55 1HG GLU 7 1HG GLU 7 4.471 -10.685 -2.303 56 2HG GLU 7 2HG GLU 7 5.851 -9.752 -1.724 57 HA PRO 8 HA PRO 8 2.178 -5.306 -5.100 58 1HB PRO 8 1HB PRO 8 -0.083 -6.704 -5.759 59 2HB PRO 8 2HB PRO 8 1.411 -6.771 -6.715 60 1HG PRO 8 1HG PRO 8 0.338 -8.697 -4.704 61 2HG PRO 8 2HG PRO 8 1.155 -9.014 -6.241 62 1HD PRO 8 1HD PRO 8 2.377 -9.174 -3.795 63 2HD PRO 8 2HD PRO 8 3.238 -8.804 -5.306 64 HA PRO 9 HA PRO 9 -0.495 -4.045 -1.843 65 1HB PRO 9 1HB PRO 9 -2.353 -2.555 -3.207 66 2HB PRO 9 2HB PRO 9 -0.694 -2.000 -2.905 67 1HG PRO 9 1HG PRO 9 -1.896 -3.197 -5.360 68 2HG PRO 9 2HG PRO 9 -0.730 -1.872 -5.207 69 1HD PRO 9 1HD PRO 9 -0.047 -4.432 -5.889 70 2HD PRO 9 2HD PRO 9 1.055 -3.309 -5.060 71 H TYR 10 H TYR 10 -3.293 -3.603 -1.977 72 HA TYR 10 HA TYR 10 -4.512 -6.155 -2.934 73 1HB TYR 10 1HB TYR 10 -3.664 -6.576 -0.660 74 2HB TYR 10 2HB TYR 10 -4.501 -5.138 -0.070 75 HD1 TYR 10 1HD TYR 10 -6.474 -5.576 1.070 76 HD2 TYR 10 2HD TYR 10 -5.352 -8.103 -2.216 77 HE1 TYR 10 1HE TYR 10 -8.540 -6.907 1.387 78 HE2 TYR 10 2HE TYR 10 -7.419 -9.435 -1.898 79 HH TYR 10 HH TYR 10 -9.012 -9.911 0.075 80 H THR 11 H THR 11 -5.745 -4.904 -4.369 81 HA THR 11 HA THR 11 -7.202 -2.543 -3.767 82 HB THR 11 HB THR 11 -7.384 -4.813 -5.736 83 HG1 THR 11 1HG THR 11 -6.006 -3.366 -6.448 84 1HG2 THR 11 1HG2 THR 11 -9.189 -3.310 -6.866 85 2HG2 THR 11 2HG2 THR 11 -9.452 -2.685 -5.238 86 3HG2 THR 11 3HG2 THR 11 -9.689 -4.400 -5.572 87 H GLY 12 H GLY 12 -7.722 -5.878 -2.926 88 1HA GLY 12 1HA GLY 12 -9.414 -6.894 -1.631 89 2HA GLY 12 2HA GLY 12 -9.774 -5.277 -1.025 90 HA PRO 13 HA PRO 13 -13.127 -6.707 -3.929 91 1HB PRO 13 1HB PRO 13 -15.047 -7.388 -2.107 92 2HB PRO 13 2HB PRO 13 -13.839 -8.533 -2.714 93 1HG PRO 13 1HG PRO 13 -14.004 -7.148 -0.104 94 2HG PRO 13 2HG PRO 13 -13.298 -8.718 -0.511 95 1HD PRO 13 1HD PRO 13 -11.913 -6.302 -0.094 96 2HD PRO 13 2HD PRO 13 -11.247 -7.801 -0.776 97 H CYS 14 H CYS 14 -15.077 -5.812 -1.188 98 HA CYS 14 HA CYS 14 -16.569 -3.974 -0.992 99 1HB CYS 14 1HB CYS 14 -13.715 -3.089 -1.049 100 2HB CYS 14 2HB CYS 14 -14.955 -1.836 -1.019 101 H LYS 15 H LYS 15 -16.405 -1.387 -2.067 102 HA LYS 15 HA LYS 15 -16.369 -1.745 -5.029 103 1HB LYS 15 1HB LYS 15 -18.671 -1.273 -3.205 104 2HB LYS 15 2HB LYS 15 -18.649 -0.315 -4.687 105 1HG LYS 15 1HG LYS 15 -17.997 -2.754 -5.685 106 2HG LYS 15 2HG LYS 15 -19.002 -3.241 -4.321 107 1HD LYS 15 1HD LYS 15 -20.772 -1.664 -5.134 108 2HD LYS 15 2HD LYS 15 -19.775 -1.333 -6.550 109 1HE LYS 15 1HE LYS 15 -21.226 -3.050 -7.307 110 2HE LYS 15 2HE LYS 15 -19.776 -3.954 -6.825 111 1HZ LYS 15 1HZ LYS 15 -22.200 -3.432 -5.175 112 2HZ LYS 15 2HZ LYS 15 -20.780 -4.155 -4.585 113 3HZ LYS 15 3HZ LYS 15 -21.700 -4.935 -5.782 114 H ALA 16 H ALA 16 -14.976 -0.169 -2.693 115 HA ALA 16 HA ALA 16 -15.455 2.615 -3.631 116 1HB ALA 16 1HB ALA 16 -15.440 2.449 -1.284 117 2HB ALA 16 2HB ALA 16 -13.789 2.957 -1.636 118 3HB ALA 16 3HB ALA 16 -14.134 1.264 -1.283 119 H ARG 17 H ARG 17 -13.186 3.893 -3.592 120 HA ARG 17 HA ARG 17 -10.971 2.310 -4.743 121 1HB ARG 17 1HB ARG 17 -11.066 3.881 -6.790 122 2HB ARG 17 2HB ARG 17 -12.289 2.612 -6.700 123 1HG ARG 17 1HG ARG 17 -13.966 4.136 -5.985 124 2HG ARG 17 2HG ARG 17 -12.779 5.372 -5.572 125 1HD ARG 17 1HD ARG 17 -12.496 6.020 -7.790 126 2HD ARG 17 2HD ARG 17 -12.905 4.410 -8.416 127 HE ARG 17 HE ARG 17 -14.964 6.179 -7.135 128 1HH1 ARG 17 1HH1 ARG 17 -14.814 6.687 -10.004 129 2HH1 ARG 17 2HH1 ARG 17 -15.884 5.507 -10.683 130 1HH2 ARG 17 1HH2 ARG 17 -15.935 3.525 -7.839 131 2HH2 ARG 17 2HH2 ARG 17 -16.520 3.717 -9.457 132 H ILE 18 H ILE 18 -10.292 3.375 -2.568 133 HA ILE 18 HA ILE 18 -9.708 6.262 -2.707 134 HB ILE 18 HB ILE 18 -9.011 4.084 -0.706 135 1HG1 ILE 18 1HG1 ILE 18 -10.911 5.734 0.423 136 2HG1 ILE 18 2HG1 ILE 18 -11.435 5.665 -1.261 137 1HG2 ILE 18 1HG2 ILE 18 -8.492 7.008 -0.847 138 2HG2 ILE 18 2HG2 ILE 18 -7.578 5.741 -0.029 139 3HG2 ILE 18 3HG2 ILE 18 -9.045 6.387 0.708 140 1HD1 ILE 18 1HD1 ILE 18 -11.987 3.455 -1.125 141 2HD1 ILE 18 2HD1 ILE 18 -12.064 3.776 0.607 142 3HD1 ILE 18 3HD1 ILE 18 -10.607 3.073 -0.096 143 H ILE 19 H ILE 19 -7.481 7.071 -2.597 144 HA ILE 19 HA ILE 19 -5.601 5.376 -4.144 145 HB ILE 19 HB ILE 19 -5.446 8.270 -3.241 146 1HG1 ILE 19 1HG1 ILE 19 -7.426 8.046 -4.579 147 2HG1 ILE 19 2HG1 ILE 19 -6.178 8.681 -5.653 148 1HG2 ILE 19 1HG2 ILE 19 -3.793 8.505 -5.000 149 2HG2 ILE 19 2HG2 ILE 19 -4.055 6.842 -5.525 150 3HG2 ILE 19 3HG2 ILE 19 -3.305 7.166 -3.962 151 1HD1 ILE 19 1HD1 ILE 19 -7.338 5.908 -5.526 152 2HD1 ILE 19 2HD1 ILE 19 -5.712 6.149 -6.162 153 3HD1 ILE 19 3HD1 ILE 19 -7.086 6.941 -6.932 154 H ARG 20 H ARG 20 -5.161 3.931 -2.231 155 HA ARG 20 HA ARG 20 -3.794 5.082 0.097 156 1HB ARG 20 1HB ARG 20 -4.452 2.319 -0.937 157 2HB ARG 20 2HB ARG 20 -3.472 2.547 0.513 158 1HG ARG 20 1HG ARG 20 -6.021 4.089 0.329 159 2HG ARG 20 2HG ARG 20 -6.148 2.354 0.626 160 1HD ARG 20 1HD ARG 20 -5.108 2.506 2.703 161 2HD ARG 20 2HD ARG 20 -4.168 3.938 2.237 162 HE ARG 20 HE ARG 20 -6.803 4.797 2.107 163 1HH1 ARG 20 1HH1 ARG 20 -4.637 3.501 4.453 164 2HH1 ARG 20 2HH1 ARG 20 -5.548 4.077 5.808 165 1HH2 ARG 20 1HH2 ARG 20 -8.080 5.438 3.871 166 2HH2 ARG 20 2HH2 ARG 20 -7.497 5.169 5.480 167 H TYR 21 H TYR 21 -1.557 3.962 0.651 168 HA TYR 21 HA TYR 21 0.132 4.111 -1.825 169 1HB TYR 21 1HB TYR 21 0.646 4.851 1.067 170 2HB TYR 21 2HB TYR 21 1.893 4.866 -0.180 171 HD1 TYR 21 1HD TYR 21 -1.305 6.375 0.907 172 HD2 TYR 21 2HD TYR 21 1.985 6.596 -1.843 173 HE1 TYR 21 1HE TYR 21 -2.043 8.642 0.208 174 HE2 TYR 21 2HE TYR 21 1.248 8.859 -2.546 175 HH TYR 21 HH TYR 21 -0.527 10.312 -2.493 176 H PHE 22 H PHE 22 1.880 2.657 -2.004 177 HA PHE 22 HA PHE 22 2.218 0.528 0.029 178 1HB PHE 22 1HB PHE 22 1.557 -1.223 -1.417 179 2HB PHE 22 2HB PHE 22 0.348 0.017 -1.697 180 HD1 PHE 22 1HD PHE 22 3.164 -1.824 -3.111 181 HD2 PHE 22 2HD PHE 22 0.430 1.428 -3.744 182 HE1 PHE 22 1HE PHE 22 3.773 -1.780 -5.515 183 HE2 PHE 22 2HE PHE 22 1.039 1.473 -6.146 184 HZ PHE 22 HZ PHE 22 2.710 -0.130 -7.032 185 H TYR 23 H TYR 23 4.194 -0.770 -0.491 186 HA TYR 23 HA TYR 23 6.261 0.968 -1.693 187 1HB TYR 23 1HB TYR 23 6.555 -0.267 0.451 188 2HB TYR 23 2HB TYR 23 6.428 -1.792 -0.435 189 HD1 TYR 23 1HD TYR 23 8.380 -2.743 -1.361 190 HD2 TYR 23 2HD TYR 23 8.308 1.452 -0.433 191 HE1 TYR 23 1HE TYR 23 10.771 -2.564 -1.988 192 HE2 TYR 23 2HE TYR 23 10.699 1.630 -1.057 193 HH TYR 23 HH TYR 23 12.323 0.410 -2.479 194 H ASN 24 H ASN 24 6.325 0.880 -3.939 195 HA ASN 24 HA ASN 24 5.786 -1.630 -5.384 196 1HB ASN 24 1HB ASN 24 5.020 0.514 -6.261 197 2HB ASN 24 2HB ASN 24 6.656 1.161 -6.206 198 1HD2 ASN 24 1HD2 ASN 24 5.272 1.117 -8.675 199 2HD2 ASN 24 2HD2 ASN 24 5.981 -0.038 -9.695 200 H ALA 25 H ALA 25 7.585 -2.984 -4.677 201 HA ALA 25 HA ALA 25 10.290 -2.374 -4.506 202 1HB ALA 25 1HB ALA 25 8.643 -4.650 -4.731 203 2HB ALA 25 2HB ALA 25 10.354 -4.628 -4.304 204 3HB ALA 25 3HB ALA 25 9.867 -4.838 -5.985 205 H LYS 26 H LYS 26 8.304 -2.596 -7.389 206 HA LYS 26 HA LYS 26 10.464 -2.695 -9.313 207 1HB LYS 26 1HB LYS 26 7.657 -2.838 -9.233 208 2HB LYS 26 2HB LYS 26 8.012 -1.416 -10.214 209 1HG LYS 26 1HG LYS 26 9.851 -3.255 -11.140 210 2HG LYS 26 2HG LYS 26 8.442 -4.264 -10.809 211 1HD LYS 26 1HD LYS 26 8.061 -1.663 -12.255 212 2HD LYS 26 2HD LYS 26 8.693 -3.048 -13.146 213 1HE LYS 26 1HE LYS 26 6.630 -3.998 -13.222 214 2HE LYS 26 2HE LYS 26 6.428 -3.812 -11.470 215 1HZ LYS 26 1HZ LYS 26 4.933 -2.446 -13.069 216 2HZ LYS 26 2HZ LYS 26 6.305 -1.460 -13.251 217 3HZ LYS 26 3HZ LYS 26 5.608 -1.675 -11.717 218 H ALA 27 H ALA 27 8.844 -0.133 -7.528 219 HA ALA 27 HA ALA 27 10.141 1.965 -9.196 220 1HB ALA 27 1HB ALA 27 7.758 1.661 -7.624 221 2HB ALA 27 2HB ALA 27 8.214 3.014 -8.660 222 3HB ALA 27 3HB ALA 27 8.696 3.001 -6.962 223 H GLY 28 H GLY 28 10.564 0.264 -6.208 224 1HA GLY 28 1HA GLY 28 12.480 0.355 -4.800 225 2HA GLY 28 2HA GLY 28 13.011 1.801 -5.663 226 H LEU 29 H LEU 29 9.860 2.387 -5.009 227 HA LEU 29 HA LEU 29 10.270 3.312 -2.216 228 1HB LEU 29 1HB LEU 29 9.459 5.586 -2.990 229 2HB LEU 29 2HB LEU 29 11.037 5.133 -3.622 230 HG LEU 29 HG LEU 29 9.244 4.079 -5.480 231 1HD1 LEU 29 1HD1 LEU 29 8.027 6.312 -4.075 232 2HD1 LEU 29 2HD1 LEU 29 7.332 5.261 -5.308 233 3HD1 LEU 29 3HD1 LEU 29 8.257 6.685 -5.784 234 1HD2 LEU 29 1HD2 LEU 29 10.656 5.204 -6.841 235 2HD2 LEU 29 2HD2 LEU 29 11.442 5.804 -5.380 236 3HD2 LEU 29 3HD2 LEU 29 10.178 6.758 -6.157 237 H CYS 30 H CYS 30 7.793 4.999 -2.611 238 HA CYS 30 HA CYS 30 5.816 2.749 -2.636 239 1HB CYS 30 1HB CYS 30 5.806 5.417 -1.189 240 2HB CYS 30 2HB CYS 30 4.557 4.180 -1.053 241 H GLN 31 H GLN 31 3.792 3.118 -3.646 242 HA GLN 31 HA GLN 31 3.511 5.621 -5.258 243 1HB GLN 31 1HB GLN 31 3.542 2.734 -6.131 244 2HB GLN 31 2HB GLN 31 2.657 3.936 -7.070 245 1HG GLN 31 1HG GLN 31 5.078 5.189 -6.602 246 2HG GLN 31 2HG GLN 31 5.553 3.506 -6.831 247 1HE2 GLN 31 1HE2 GLN 31 6.524 4.659 -8.893 248 2HE2 GLN 31 2HE2 GLN 31 5.519 4.703 -10.259 249 H THR 32 H THR 32 1.147 5.521 -6.274 250 HA THR 32 HA THR 32 -0.680 4.934 -4.015 251 HB THR 32 HB THR 32 -2.243 6.267 -5.521 252 HG1 THR 32 1HG THR 32 0.039 6.951 -6.981 253 1HG2 THR 32 1HG2 THR 32 -0.589 7.183 -3.730 254 2HG2 THR 32 2HG2 THR 32 -1.302 8.321 -4.875 255 3HG2 THR 32 3HG2 THR 32 0.348 7.744 -5.114 256 H PHE 33 H PHE 33 -2.400 3.484 -4.178 257 HA PHE 33 HA PHE 33 -2.811 2.056 -6.754 258 1HB PHE 33 1HB PHE 33 -2.280 -0.050 -5.862 259 2HB PHE 33 2HB PHE 33 -1.061 0.988 -5.139 260 HD1 PHE 33 1HD PHE 33 -1.132 1.562 -2.747 261 HD2 PHE 33 2HD PHE 33 -4.140 -0.935 -4.534 262 HE1 PHE 33 1HE PHE 33 -1.901 0.885 -0.501 263 HE2 PHE 33 2HE PHE 33 -4.908 -1.617 -2.276 264 HZ PHE 33 HZ PHE 33 -3.786 -0.708 -0.258 265 H VAL 34 H VAL 34 -4.831 0.779 -6.714 266 HA VAL 34 HA VAL 34 -6.969 2.237 -5.389 267 HB VAL 34 HB VAL 34 -6.798 -0.283 -7.066 268 1HG1 VAL 34 1HG1 VAL 34 -8.807 -0.701 -6.000 269 2HG1 VAL 34 2HG1 VAL 34 -9.375 0.366 -7.284 270 3HG1 VAL 34 3HG1 VAL 34 -9.104 1.006 -5.663 271 1HG2 VAL 34 1HG2 VAL 34 -7.855 1.220 -8.762 272 2HG2 VAL 34 2HG2 VAL 34 -6.270 1.796 -8.245 273 3HG2 VAL 34 3HG2 VAL 34 -7.733 2.554 -7.615 274 H TYR 35 H TYR 35 -8.013 1.711 -3.508 275 HA TYR 35 HA TYR 35 -7.289 -0.888 -2.183 276 1HB TYR 35 1HB TYR 35 -6.223 0.993 -1.096 277 2HB TYR 35 2HB TYR 35 -7.726 1.915 -1.103 278 HD1 TYR 35 1HD TYR 35 -7.363 -1.707 -0.332 279 HD2 TYR 35 2HD TYR 35 -8.057 2.232 1.237 280 HE1 TYR 35 1HE TYR 35 -7.981 -2.688 1.861 281 HE2 TYR 35 2HE TYR 35 -8.674 1.252 3.427 282 HH TYR 35 HH TYR 35 -9.428 -0.805 4.373 283 H GLY 36 H GLY 36 -9.036 -2.053 -1.314 284 1HA GLY 36 1HA GLY 36 -11.700 -1.353 -2.245 285 2HA GLY 36 2HA GLY 36 -11.287 -2.754 -1.257 286 H ALA 37 H ALA 37 -9.931 -0.210 0.310 287 HA ALA 37 HA ALA 37 -10.600 1.170 2.119 288 1HB ALA 37 1HB ALA 37 -12.660 1.234 0.283 289 2HB ALA 37 2HB ALA 37 -12.589 2.211 1.751 290 3HB ALA 37 3HB ALA 37 -13.477 0.688 1.748 291 H CYS 38 H CYS 38 -11.111 -2.091 1.824 292 HA CYS 38 HA CYS 38 -11.787 -2.329 4.719 293 1HB CYS 38 1HB CYS 38 -13.331 -4.239 3.987 294 2HB CYS 38 2HB CYS 38 -13.888 -2.612 3.596 295 H ARG 39 H ARG 39 -11.062 -4.392 5.624 296 HA ARG 39 HA ARG 39 -9.495 -6.148 5.851 297 1HB ARG 39 1HB ARG 39 -10.362 -6.201 2.964 298 2HB ARG 39 2HB ARG 39 -9.180 -7.362 3.563 299 1HG ARG 39 1HG ARG 39 -10.726 -8.467 4.847 300 2HG ARG 39 2HG ARG 39 -11.623 -6.993 5.217 301 1HD ARG 39 1HD ARG 39 -13.145 -7.895 3.734 302 2HD ARG 39 2HD ARG 39 -12.055 -7.199 2.518 303 HE ARG 39 HE ARG 39 -11.213 -9.396 2.099 304 1HH1 ARG 39 1HH1 ARG 39 -14.086 -10.140 2.923 305 2HH1 ARG 39 2HH1 ARG 39 -13.776 -11.460 4.001 306 1HH2 ARG 39 1HH2 ARG 39 -10.407 -10.717 4.357 307 2HH2 ARG 39 2HH2 ARG 39 -11.690 -11.785 4.815 308 H ALA 40 H ALA 40 -8.470 -3.423 5.382 309 HA ALA 40 HA ALA 40 -6.405 -3.236 3.465 310 1HB ALA 40 1HB ALA 40 -7.136 -2.047 6.074 311 2HB ALA 40 2HB ALA 40 -6.684 -1.252 4.566 312 3HB ALA 40 3HB ALA 40 -5.434 -1.884 5.638 313 H LYS 41 H LYS 41 -4.158 -3.769 3.561 314 HA LYS 41 HA LYS 41 -3.403 -5.735 5.701 315 1HB LYS 41 1HB LYS 41 -2.489 -5.725 2.812 316 2HB LYS 41 2HB LYS 41 -2.331 -7.033 3.986 317 1HG LYS 41 1HG LYS 41 -4.899 -7.021 4.095 318 2HG LYS 41 2HG LYS 41 -4.846 -6.012 2.649 319 1HD LYS 41 1HD LYS 41 -3.806 -8.835 2.987 320 2HD LYS 41 2HD LYS 41 -5.052 -8.269 1.875 321 1HE LYS 41 1HE LYS 41 -3.359 -8.136 0.344 322 2HE LYS 41 2HE LYS 41 -2.851 -6.684 1.232 323 1HZ LYS 41 1HZ LYS 41 -1.224 -8.692 0.980 324 2HZ LYS 41 2HZ LYS 41 -2.136 -9.355 2.251 325 3HZ LYS 41 3HZ LYS 41 -1.329 -7.876 2.463 326 H ARG 42 H ARG 42 -0.756 -6.024 5.209 327 HA ARG 42 HA ARG 42 0.432 -3.618 6.219 328 1HB ARG 42 1HB ARG 42 2.476 -4.886 6.039 329 2HB ARG 42 2HB ARG 42 1.213 -6.011 6.503 330 1HG ARG 42 1HG ARG 42 0.976 -6.227 3.852 331 2HG ARG 42 2HG ARG 42 2.670 -5.752 3.929 332 1HD ARG 42 1HD ARG 42 2.403 -8.236 4.038 333 2HD ARG 42 2HD ARG 42 3.085 -7.607 5.549 334 HE ARG 42 HE ARG 42 0.156 -8.132 5.196 335 1HH1 ARG 42 1HH1 ARG 42 2.430 -7.099 7.399 336 2HH1 ARG 42 2HH1 ARG 42 2.022 -8.233 8.642 337 1HH2 ARG 42 1HH2 ARG 42 -0.089 -10.097 6.620 338 2HH2 ARG 42 2HH2 ARG 42 0.598 -9.929 8.202 339 H ASN 43 H ASN 43 0.136 -4.897 2.906 340 HA ASN 43 HA ASN 43 1.901 -2.769 1.861 341 1HB ASN 43 1HB ASN 43 1.555 -5.272 1.081 342 2HB ASN 43 2HB ASN 43 0.195 -4.589 0.186 343 1HD2 ASN 43 1HD2 ASN 43 3.749 -4.381 0.580 344 2HD2 ASN 43 2HD2 ASN 43 4.035 -3.627 -0.913 345 H ASN 44 H ASN 44 -0.070 -1.508 3.141 346 HA ASN 44 HA ASN 44 -1.582 -0.156 0.998 347 1HB ASN 44 1HB ASN 44 -2.964 -2.120 1.589 348 2HB ASN 44 2HB ASN 44 -2.878 -1.681 3.293 349 1HD2 ASN 44 1HD2 ASN 44 -5.415 -1.877 2.314 350 2HD2 ASN 44 2HD2 ASN 44 -6.108 -0.338 2.063 351 H PHE 45 H PHE 45 0.048 1.427 1.978 352 HA PHE 45 HA PHE 45 -0.466 2.338 4.726 353 1HB PHE 45 1HB PHE 45 1.276 3.575 2.577 354 2HB PHE 45 2HB PHE 45 1.479 3.687 4.327 355 HD1 PHE 45 1HD PHE 45 2.289 1.827 1.357 356 HD2 PHE 45 2HD PHE 45 1.937 1.499 5.627 357 HE1 PHE 45 1HE PHE 45 3.672 -0.233 1.309 358 HE2 PHE 45 2HE PHE 45 3.321 -0.562 5.582 359 HZ PHE 45 HZ PHE 45 4.187 -1.441 3.421 360 H LYS 46 H LYS 46 -1.663 4.131 5.279 361 HA LYS 46 HA LYS 46 -3.576 5.260 3.495 362 1HB LYS 46 1HB LYS 46 -3.684 5.160 5.984 363 2HB LYS 46 2HB LYS 46 -2.397 6.363 6.068 364 1HG LYS 46 1HG LYS 46 -4.191 7.554 4.352 365 2HG LYS 46 2HG LYS 46 -5.260 6.711 5.474 366 1HD LYS 46 1HD LYS 46 -3.006 8.575 6.283 367 2HD LYS 46 2HD LYS 46 -4.716 9.009 6.255 368 1HE LYS 46 1HE LYS 46 -4.945 8.137 8.337 369 2HE LYS 46 2HE LYS 46 -4.434 6.552 7.721 370 1HZ LYS 46 1HZ LYS 46 -2.106 7.480 7.800 371 2HZ LYS 46 2HZ LYS 46 -2.826 7.207 9.316 372 3HZ LYS 46 3HZ LYS 46 -2.726 8.784 8.690 373 H SER 47 H SER 47 -0.263 6.149 4.237 374 HA SER 47 HA SER 47 -0.408 8.259 2.138 375 1HB SER 47 1HB SER 47 0.632 9.868 3.654 376 2HB SER 47 2HB SER 47 -0.841 9.249 4.395 377 HG SER 47 HG SER 47 1.591 9.166 5.377 378 H ALA 48 H ALA 48 1.799 8.894 1.410 379 HA ALA 48 HA ALA 48 3.549 6.640 1.060 380 1HB ALA 48 1HB ALA 48 5.066 8.756 0.373 381 2HB ALA 48 2HB ALA 48 3.504 9.568 0.470 382 3HB ALA 48 3HB ALA 48 3.723 8.208 -0.631 383 H GLU 49 H GLU 49 3.270 9.050 3.540 384 HA GLU 49 HA GLU 49 5.981 8.982 4.539 385 1HB GLU 49 1HB GLU 49 3.826 10.544 4.891 386 2HB GLU 49 2HB GLU 49 3.634 9.511 6.309 387 1HG GLU 49 1HG GLU 49 4.975 11.369 7.009 388 2HG GLU 49 2HG GLU 49 6.079 10.006 6.838 389 H ASP 50 H ASP 50 3.062 7.079 5.208 390 HA ASP 50 HA ASP 50 4.253 5.657 7.474 391 1HB ASP 50 1HB ASP 50 1.759 6.204 6.827 392 2HB ASP 50 2HB ASP 50 1.886 4.736 5.857 393 H CYS 51 H CYS 51 3.834 5.146 4.009 394 HA CYS 51 HA CYS 51 4.633 2.360 3.949 395 1HB CYS 51 1HB CYS 51 3.360 3.471 2.166 396 2HB CYS 51 2HB CYS 51 4.686 4.602 1.896 397 H MET 52 H MET 52 6.340 5.454 3.417 398 HA MET 52 HA MET 52 8.918 4.318 2.838 399 1HB MET 52 1HB MET 52 7.846 6.965 3.814 400 2HB MET 52 2HB MET 52 9.583 6.711 3.650 401 1HG MET 52 1HG MET 52 8.434 5.700 1.281 402 2HG MET 52 2HG MET 52 7.618 7.232 1.591 403 1HE MET 52 1HE MET 52 9.579 5.747 -0.312 404 2HE MET 52 2HE MET 52 11.264 5.809 0.201 405 3HE MET 52 3HE MET 52 10.669 6.964 -0.988 406 H ARG 53 H ARG 53 7.670 5.821 5.850 407 HA ARG 53 HA ARG 53 9.795 5.334 7.576 408 1HB ARG 53 1HB ARG 53 7.065 6.017 7.710 409 2HB ARG 53 2HB ARG 53 7.252 4.644 8.803 410 1HG ARG 53 1HG ARG 53 8.708 5.786 10.198 411 2HG ARG 53 2HG ARG 53 9.309 6.818 8.899 412 1HD ARG 53 1HD ARG 53 7.970 8.346 10.050 413 2HD ARG 53 2HD ARG 53 6.765 7.678 8.930 414 HE ARG 53 HE ARG 53 6.323 5.979 10.843 415 1HH1 ARG 53 1HH2 ARG 53 5.178 8.813 11.182 416 2HH1 ARG 53 2HH2 ARG 53 5.579 9.123 12.839 417 1HH2 ARG 53 1HH1 ARG 53 7.859 6.522 13.053 418 2HH2 ARG 53 2HH1 ARG 53 7.095 7.827 13.897 419 H THR 54 H THR 54 7.453 3.028 6.287 420 HA THR 54 HA THR 54 8.319 0.827 8.014 421 HB THR 54 HB THR 54 6.667 0.966 5.464 422 HG1 THR 54 1HG THR 54 5.896 0.711 8.180 423 1HG2 THR 54 1HG2 THR 54 6.053 -1.271 5.816 424 2HG2 THR 54 2HG2 THR 54 6.612 -1.261 7.488 425 3HG2 THR 54 3HG2 THR 54 7.780 -1.278 6.168 426 H CYS 55 H CYS 55 8.513 1.369 4.466 427 HA CYS 55 HA CYS 55 11.019 -0.286 4.463 428 1HB CYS 55 1HB CYS 55 9.024 0.283 2.245 429 2HB CYS 55 2HB CYS 55 10.373 -0.852 2.168 430 H GLY 56 H GLY 56 9.455 2.519 2.870 431 1HA GLY 56 1HA GLY 56 10.443 4.293 1.660 432 2HA GLY 56 2HA GLY 56 11.503 4.363 3.068 433 H GLY 57 H GLY 57 13.576 4.474 2.330 434 1HA GLY 57 1HA GLY 57 14.315 2.995 -0.134 435 2HA GLY 57 2HA GLY 57 15.297 4.226 0.658 436 H ALA 58 H ALA 58 14.059 2.167 2.994 437 HA ALA 58 HA ALA 58 15.146 0.578 4.375 438 1HB ALA 58 1HB ALA 58 16.383 -0.611 1.939 439 2HB ALA 58 2HB ALA 58 14.629 -0.421 1.916 440 3HB ALA 58 3HB ALA 58 15.396 -1.378 3.183 Start of MODEL 20 1 1H ARG 1 1H ARG 1 14.443 -4.241 4.696 2 2H ARG 1 2H ARG 1 14.300 -5.829 4.111 3 3H ARG 1 3H ARG 1 13.795 -5.454 5.690 4 HA ARG 1 HA ARG 1 12.130 -3.875 4.637 5 1HB ARG 1 1HB ARG 1 13.389 -5.335 2.327 6 2HB ARG 1 2HB ARG 1 11.718 -4.785 2.201 7 1HG ARG 1 1HG ARG 1 12.562 -2.492 2.938 8 2HG ARG 1 2HG ARG 1 14.194 -3.112 2.687 9 1HD ARG 1 1HD ARG 1 11.990 -2.895 0.597 10 2HD ARG 1 2HD ARG 1 13.520 -1.994 0.636 11 HE ARG 1 HE ARG 1 13.189 -4.717 -0.295 12 1HH1 ARG 1 1HH1 ARG 1 15.288 -2.456 1.242 13 2HH1 ARG 1 2HH1 ARG 1 16.717 -3.393 0.964 14 1HH2 ARG 1 1HH2 ARG 1 15.034 -6.003 -0.574 15 2HH2 ARG 1 2HH2 ARG 1 16.574 -5.400 -0.060 16 HA PRO 2 HA PRO 2 9.705 -7.347 5.959 17 1HB PRO 2 1HB PRO 2 7.251 -6.175 5.623 18 2HB PRO 2 2HB PRO 2 8.310 -5.836 6.999 19 1HG PRO 2 1HG PRO 2 7.885 -4.285 4.481 20 2HG PRO 2 2HG PRO 2 8.049 -3.694 6.140 21 1HD PRO 2 1HD PRO 2 10.067 -3.615 4.324 22 2HD PRO 2 2HD PRO 2 10.353 -3.812 6.068 23 H ASP 3 H ASP 3 8.300 -8.918 5.000 24 HA ASP 3 HA ASP 3 8.528 -9.186 2.133 25 1HB ASP 3 1HB ASP 3 7.439 -10.633 4.473 26 2HB ASP 3 2HB ASP 3 6.629 -10.988 2.947 27 H PHE 4 H PHE 4 6.015 -7.990 4.335 28 HA PHE 4 HA PHE 4 3.876 -8.002 2.381 29 1HB PHE 4 1HB PHE 4 2.682 -6.762 4.043 30 2HB PHE 4 2HB PHE 4 3.740 -7.856 4.921 31 HD1 PHE 4 1HD PHE 4 5.063 -7.025 6.613 32 HD2 PHE 4 2HD PHE 4 3.732 -4.346 3.523 33 HE1 PHE 4 1HE PHE 4 6.056 -5.116 7.831 34 HE2 PHE 4 2HE PHE 4 4.737 -2.456 4.743 35 HZ PHE 4 HZ PHE 4 5.898 -2.826 6.892 36 H CYS 5 H CYS 5 6.624 -6.012 2.806 37 HA CYS 5 HA CYS 5 5.529 -3.650 1.444 38 1HB CYS 5 1HB CYS 5 7.169 -3.271 3.116 39 2HB CYS 5 2HB CYS 5 8.195 -4.578 2.522 40 H LEU 6 H LEU 6 7.255 -6.586 0.643 41 HA LEU 6 HA LEU 6 8.088 -5.616 -2.016 42 1HB LEU 6 1HB LEU 6 8.138 -8.444 -0.942 43 2HB LEU 6 2HB LEU 6 9.228 -7.706 -2.115 44 HG LEU 6 HG LEU 6 9.062 -7.182 0.861 45 1HD1 LEU 6 1HD1 LEU 6 11.186 -8.105 0.960 46 2HD1 LEU 6 2HD1 LEU 6 11.566 -7.667 -0.706 47 3HD1 LEU 6 3HD1 LEU 6 10.505 -9.037 -0.373 48 1HD2 LEU 6 1HD2 LEU 6 10.967 -5.506 0.256 49 2HD2 LEU 6 2HD2 LEU 6 9.297 -4.994 0.021 50 3HD2 LEU 6 3HD2 LEU 6 10.257 -5.527 -1.358 51 H GLU 7 H GLU 7 5.338 -7.096 -0.589 52 HA GLU 7 HA GLU 7 4.412 -8.519 -2.970 53 1HB GLU 7 1HB GLU 7 3.572 -7.956 -0.186 54 2HB GLU 7 2HB GLU 7 2.251 -8.209 -1.328 55 1HG GLU 7 1HG GLU 7 3.752 -10.265 -2.083 56 2HG GLU 7 2HG GLU 7 4.401 -10.103 -0.451 57 HA PRO 8 HA PRO 8 2.322 -5.213 -4.949 58 1HB PRO 8 1HB PRO 8 0.038 -6.446 -5.835 59 2HB PRO 8 2HB PRO 8 1.635 -6.720 -6.560 60 1HG PRO 8 1HG PRO 8 0.099 -8.389 -4.626 61 2HG PRO 8 2HG PRO 8 1.113 -8.888 -5.988 62 1HD PRO 8 1HD PRO 8 1.908 -8.952 -3.361 63 2HD PRO 8 2HD PRO 8 3.028 -8.810 -4.735 64 HA PRO 9 HA PRO 9 -0.655 -3.440 -2.265 65 1HB PRO 9 1HB PRO 9 -2.323 -2.107 -3.989 66 2HB PRO 9 2HB PRO 9 -0.687 -1.555 -3.583 67 1HG PRO 9 1HG PRO 9 -1.678 -2.997 -5.994 68 2HG PRO 9 2HG PRO 9 -0.455 -1.721 -5.861 69 1HD PRO 9 1HD PRO 9 0.121 -4.389 -6.156 70 2HD PRO 9 2HD PRO 9 1.213 -3.215 -5.391 71 H TYR 10 H TYR 10 -3.096 -3.355 -1.787 72 HA TYR 10 HA TYR 10 -4.476 -5.784 -2.911 73 1HB TYR 10 1HB TYR 10 -3.433 -5.910 -0.571 74 2HB TYR 10 2HB TYR 10 -4.657 -4.737 -0.078 75 HD1 TYR 10 1HD TYR 10 -6.881 -5.410 0.370 76 HD2 TYR 10 2HD TYR 10 -4.194 -8.096 -1.635 77 HE1 TYR 10 1HE TYR 10 -8.551 -7.233 0.571 78 HE2 TYR 10 2HE TYR 10 -5.864 -9.918 -1.431 79 HH TYR 10 HH TYR 10 -8.012 -10.393 -0.934 80 H THR 11 H THR 11 -5.801 -4.572 -4.322 81 HA THR 11 HA THR 11 -7.322 -2.254 -3.522 82 HB THR 11 HB THR 11 -7.339 -4.286 -5.746 83 HG1 THR 11 1HG THR 11 -6.943 -1.511 -5.446 84 1HG2 THR 11 1HG2 THR 11 -9.643 -4.045 -5.710 85 2HG2 THR 11 2HG2 THR 11 -9.204 -2.650 -6.693 86 3HG2 THR 11 3HG2 THR 11 -9.568 -2.441 -4.980 87 H GLY 12 H GLY 12 -7.648 -5.685 -3.083 88 1HA GLY 12 1HA GLY 12 -9.289 -6.964 -1.981 89 2HA GLY 12 2HA GLY 12 -9.747 -5.469 -1.164 90 HA PRO 13 HA PRO 13 -12.968 -6.704 -4.324 91 1HB PRO 13 1HB PRO 13 -14.844 -7.804 -2.668 92 2HB PRO 13 2HB PRO 13 -13.550 -8.748 -3.427 93 1HG PRO 13 1HG PRO 13 -13.826 -7.788 -0.638 94 2HG PRO 13 2HG PRO 13 -13.034 -9.242 -1.260 95 1HD PRO 13 1HD PRO 13 -11.772 -6.871 -0.456 96 2HD PRO 13 2HD PRO 13 -11.033 -8.187 -1.395 97 H CYS 14 H CYS 14 -14.948 -6.405 -1.470 98 HA CYS 14 HA CYS 14 -16.541 -4.726 -0.942 99 1HB CYS 14 1HB CYS 14 -13.763 -3.681 -0.971 100 2HB CYS 14 2HB CYS 14 -15.038 -2.467 -0.870 101 H LYS 15 H LYS 15 -16.724 -2.060 -1.680 102 HA LYS 15 HA LYS 15 -16.866 -2.098 -4.672 103 1HB LYS 15 1HB LYS 15 -19.044 -2.691 -3.626 104 2HB LYS 15 2HB LYS 15 -19.003 -1.179 -2.719 105 1HG LYS 15 1HG LYS 15 -18.536 -0.415 -5.371 106 2HG LYS 15 2HG LYS 15 -19.786 -1.654 -5.487 107 1HD LYS 15 1HD LYS 15 -21.094 -0.436 -3.741 108 2HD LYS 15 2HD LYS 15 -19.867 0.833 -3.749 109 1HE LYS 15 1HE LYS 15 -20.669 0.302 -6.465 110 2HE LYS 15 2HE LYS 15 -22.113 0.601 -5.477 111 1HZ LYS 15 1HZ LYS 15 -19.702 2.297 -5.803 112 2HZ LYS 15 2HZ LYS 15 -20.742 2.483 -4.472 113 3HZ LYS 15 3HZ LYS 15 -21.325 2.724 -6.049 114 H ALA 16 H ALA 16 -15.067 -0.759 -2.600 115 HA ALA 16 HA ALA 16 -15.717 2.105 -3.201 116 1HB ALA 16 1HB ALA 16 -14.493 2.600 -1.200 117 2HB ALA 16 2HB ALA 16 -13.776 0.990 -1.161 118 3HB ALA 16 3HB ALA 16 -15.493 1.199 -0.815 119 H ARG 17 H ARG 17 -13.576 3.451 -3.361 120 HA ARG 17 HA ARG 17 -11.322 1.991 -4.602 121 1HB ARG 17 1HB ARG 17 -11.565 3.365 -6.686 122 2HB ARG 17 2HB ARG 17 -12.922 2.270 -6.427 123 1HG ARG 17 1HG ARG 17 -14.388 3.979 -5.996 124 2HG ARG 17 2HG ARG 17 -13.159 4.973 -5.210 125 1HD ARG 17 1HD ARG 17 -13.551 6.140 -7.230 126 2HD ARG 17 2HD ARG 17 -12.151 5.132 -7.650 127 HE ARG 17 HE ARG 17 -14.526 3.616 -8.101 128 1HH1 ARG 17 1HH2 ARG 17 -12.128 4.514 -9.949 129 2HH1 ARG 17 2HH2 ARG 17 -13.031 5.178 -11.270 130 1HH2 ARG 17 1HH1 ARG 17 -16.023 5.282 -9.518 131 2HH2 ARG 17 2HH1 ARG 17 -15.239 5.611 -11.026 132 H ILE 18 H ILE 18 -10.543 3.071 -2.496 133 HA ILE 18 HA ILE 18 -10.169 6.002 -2.650 134 HB ILE 18 HB ILE 18 -9.352 3.883 -0.632 135 1HG1 ILE 18 1HG1 ILE 18 -11.407 5.797 0.141 136 2HG1 ILE 18 2HG1 ILE 18 -11.880 4.893 -1.297 137 1HG2 ILE 18 1HG2 ILE 18 -7.932 5.730 -0.228 138 2HG2 ILE 18 2HG2 ILE 18 -9.292 6.003 0.861 139 3HG2 ILE 18 3HG2 ILE 18 -9.184 6.896 -0.656 140 1HD1 ILE 18 1HD1 ILE 18 -12.086 3.998 1.326 141 2HD1 ILE 18 2HD1 ILE 18 -10.631 3.196 0.735 142 3HD1 ILE 18 3HD1 ILE 18 -12.162 2.984 -0.115 143 H ILE 19 H ILE 19 -7.912 6.862 -2.292 144 HA ILE 19 HA ILE 19 -5.963 5.331 -3.952 145 HB ILE 19 HB ILE 19 -6.140 8.236 -3.090 146 1HG1 ILE 19 1HG1 ILE 19 -7.926 7.690 -4.620 147 2HG1 ILE 19 2HG1 ILE 19 -6.686 8.539 -5.545 148 1HG2 ILE 19 1HG2 ILE 19 -3.816 7.467 -3.528 149 2HG2 ILE 19 2HG2 ILE 19 -4.367 8.621 -4.742 150 3HG2 ILE 19 3HG2 ILE 19 -4.321 6.899 -5.119 151 1HD1 ILE 19 1HD1 ILE 19 -7.623 5.756 -5.766 152 2HD1 ILE 19 2HD1 ILE 19 -5.867 5.914 -5.737 153 3HD1 ILE 19 3HD1 ILE 19 -6.809 6.766 -6.961 154 H ARG 20 H ARG 20 -5.097 3.948 -2.311 155 HA ARG 20 HA ARG 20 -3.925 5.205 0.112 156 1HB ARG 20 1HB ARG 20 -4.336 2.376 -0.887 157 2HB ARG 20 2HB ARG 20 -3.476 2.739 0.609 158 1HG ARG 20 1HG ARG 20 -6.195 3.929 0.126 159 2HG ARG 20 2HG ARG 20 -6.059 2.261 0.688 160 1HD ARG 20 1HD ARG 20 -5.049 2.909 2.721 161 2HD ARG 20 2HD ARG 20 -4.544 4.482 2.072 162 HE ARG 20 HE ARG 20 -7.053 5.002 1.960 163 1HH1 ARG 20 1HH1 ARG 20 -5.463 3.869 4.648 164 2HH1 ARG 20 2HH1 ARG 20 -6.880 3.406 5.530 165 1HH2 ARG 20 1HH2 ARG 20 -9.026 3.863 2.843 166 2HH2 ARG 20 2HH2 ARG 20 -8.897 3.402 4.508 167 H TYR 21 H TYR 21 -1.639 4.039 0.637 168 HA TYR 21 HA TYR 21 0.050 4.405 -1.814 169 1HB TYR 21 1HB TYR 21 0.448 5.040 1.114 170 2HB TYR 21 2HB TYR 21 1.790 5.027 -0.029 171 HD1 TYR 21 1HD TYR 21 1.991 6.707 -1.767 172 HD2 TYR 21 2HD TYR 21 -1.346 6.703 0.936 173 HE1 TYR 21 1HE TYR 21 1.406 9.008 -2.488 174 HE2 TYR 21 2HE TYR 21 -1.934 9.004 0.214 175 HH TYR 21 HH TYR 21 -0.960 10.390 -2.484 176 H PHE 22 H PHE 22 1.709 2.912 -2.187 177 HA PHE 22 HA PHE 22 2.132 0.718 -0.229 178 1HB PHE 22 1HB PHE 22 1.422 -0.962 -1.707 179 2HB PHE 22 2HB PHE 22 0.253 0.311 -2.006 180 HD1 PHE 22 1HD PHE 22 3.132 -1.519 -3.343 181 HD2 PHE 22 2HD PHE 22 0.345 1.672 -4.057 182 HE1 PHE 22 1HE PHE 22 3.798 -1.474 -5.731 183 HE2 PHE 22 2HE PHE 22 1.013 1.719 -6.446 184 HZ PHE 22 HZ PHE 22 2.740 0.145 -7.283 185 H TYR 23 H TYR 23 4.082 -0.579 -0.858 186 HA TYR 23 HA TYR 23 6.145 1.209 -2.029 187 1HB TYR 23 1HB TYR 23 6.459 0.063 0.143 188 2HB TYR 23 2HB TYR 23 6.296 -1.500 -0.661 189 HD1 TYR 23 1HD TYR 23 8.168 -2.531 -1.666 190 HD2 TYR 23 2HD TYR 23 8.321 1.647 -0.673 191 HE1 TYR 23 1HE TYR 23 10.579 -2.484 -2.247 192 HE2 TYR 23 2HE TYR 23 10.730 1.699 -1.257 193 HH TYR 23 HH TYR 23 12.453 0.550 -2.051 194 H ASN 24 H ASN 24 6.763 0.964 -4.147 195 HA ASN 24 HA ASN 24 5.993 -1.510 -5.613 196 1HB ASN 24 1HB ASN 24 5.425 0.728 -6.506 197 2HB ASN 24 2HB ASN 24 7.133 1.158 -6.513 198 1HD2 ASN 24 1HD2 ASN 24 5.771 1.214 -8.965 199 2HD2 ASN 24 2HD2 ASN 24 6.269 -0.089 -9.932 200 H ALA 25 H ALA 25 7.637 -3.010 -4.972 201 HA ALA 25 HA ALA 25 10.356 -2.568 -4.563 202 1HB ALA 25 1HB ALA 25 9.529 -4.733 -4.172 203 2HB ALA 25 2HB ALA 25 10.494 -4.961 -5.631 204 3HB ALA 25 3HB ALA 25 8.741 -4.815 -5.748 205 H LYS 26 H LYS 26 8.636 -2.839 -7.657 206 HA LYS 26 HA LYS 26 10.987 -2.852 -9.333 207 1HB LYS 26 1HB LYS 26 8.744 -3.599 -10.039 208 2HB LYS 26 2HB LYS 26 8.123 -1.961 -9.827 209 1HG LYS 26 1HG LYS 26 10.267 -1.499 -11.458 210 2HG LYS 26 2HG LYS 26 9.765 -3.096 -12.013 211 1HD LYS 26 1HD LYS 26 7.498 -1.300 -11.580 212 2HD LYS 26 2HD LYS 26 8.630 -0.676 -12.780 213 1HE LYS 26 1HE LYS 26 7.788 -2.146 -14.290 214 2HE LYS 26 2HE LYS 26 8.302 -3.488 -13.248 215 1HZ LYS 26 1HZ LYS 26 6.278 -3.558 -12.203 216 2HZ LYS 26 2HZ LYS 26 5.768 -3.045 -13.741 217 3HZ LYS 26 3HZ LYS 26 5.941 -1.920 -12.480 218 H ALA 27 H ALA 27 9.170 -0.328 -7.702 219 HA ALA 27 HA ALA 27 10.556 1.796 -9.260 220 1HB ALA 27 1HB ALA 27 8.746 3.052 -8.675 221 2HB ALA 27 2HB ALA 27 8.800 2.508 -6.998 222 3HB ALA 27 3HB ALA 27 8.024 1.508 -8.226 223 H GLY 28 H GLY 28 10.620 0.208 -6.142 224 1HA GLY 28 1HA GLY 28 12.417 0.295 -4.579 225 2HA GLY 28 2HA GLY 28 13.085 1.669 -5.462 226 H LEU 29 H LEU 29 10.005 2.565 -5.218 227 HA LEU 29 HA LEU 29 10.282 3.680 -2.455 228 1HB LEU 29 1HB LEU 29 9.134 5.151 -4.835 229 2HB LEU 29 2HB LEU 29 9.684 5.826 -3.303 230 HG LEU 29 HG LEU 29 11.922 4.484 -4.281 231 1HD1 LEU 29 1HD1 LEU 29 12.080 4.731 -6.552 232 2HD1 LEU 29 2HD1 LEU 29 11.117 6.209 -6.562 233 3HD1 LEU 29 3HD1 LEU 29 10.321 4.637 -6.463 234 1HD2 LEU 29 1HD2 LEU 29 11.034 7.182 -3.705 235 2HD2 LEU 29 2HD2 LEU 29 12.133 7.177 -5.083 236 3HD2 LEU 29 3HD2 LEU 29 12.647 6.488 -3.543 237 H CYS 30 H CYS 30 7.757 5.174 -3.001 238 HA CYS 30 HA CYS 30 5.841 2.868 -2.908 239 1HB CYS 30 1HB CYS 30 5.808 5.485 -1.372 240 2HB CYS 30 2HB CYS 30 4.648 4.169 -1.195 241 H GLN 31 H GLN 31 3.796 3.229 -3.852 242 HA GLN 31 HA GLN 31 3.406 5.797 -5.329 243 1HB GLN 31 1HB GLN 31 3.436 2.950 -6.345 244 2HB GLN 31 2HB GLN 31 2.572 4.219 -7.216 245 1HG GLN 31 1HG GLN 31 4.516 5.319 -7.806 246 2HG GLN 31 2HG GLN 31 5.379 4.785 -6.363 247 1HE2 GLN 31 1HE2 GLN 31 6.841 4.446 -8.614 248 2HE2 GLN 31 2HE2 GLN 31 6.837 2.832 -9.141 249 H THR 32 H THR 32 1.080 6.096 -5.916 250 HA THR 32 HA THR 32 -0.667 5.101 -3.778 251 HB THR 32 HB THR 32 -2.279 6.654 -4.946 252 HG1 THR 32 1HG THR 32 -1.069 6.216 -7.013 253 1HG2 THR 32 1HG2 THR 32 -0.912 7.588 -3.211 254 2HG2 THR 32 2HG2 THR 32 -0.849 8.718 -4.564 255 3HG2 THR 32 3HG2 THR 32 0.504 7.627 -4.263 256 H PHE 33 H PHE 33 -2.409 3.697 -4.050 257 HA PHE 33 HA PHE 33 -2.904 2.575 -6.771 258 1HB PHE 33 1HB PHE 33 -2.503 0.360 -6.041 259 2HB PHE 33 2HB PHE 33 -1.200 1.280 -5.300 260 HD1 PHE 33 1HD PHE 33 -4.230 -0.669 -4.712 261 HD2 PHE 33 2HD PHE 33 -1.296 1.876 -2.870 262 HE1 PHE 33 1HE PHE 33 -4.960 -1.442 -2.472 263 HE2 PHE 33 2HE PHE 33 -2.031 1.115 -0.640 264 HZ PHE 33 HZ PHE 33 -3.862 -0.551 -0.434 265 H VAL 34 H VAL 34 -4.966 1.249 -6.758 266 HA VAL 34 HA VAL 34 -7.072 2.714 -5.386 267 HB VAL 34 HB VAL 34 -7.292 0.077 -6.854 268 1HG1 VAL 34 1HG1 VAL 34 -9.500 0.535 -6.845 269 2HG1 VAL 34 2HG1 VAL 34 -9.218 2.165 -7.459 270 3HG1 VAL 34 3HG1 VAL 34 -9.154 1.852 -5.724 271 1HG2 VAL 34 1HG2 VAL 34 -6.361 2.702 -7.822 272 2HG2 VAL 34 2HG2 VAL 34 -7.703 2.033 -8.751 273 3HG2 VAL 34 3HG2 VAL 34 -6.210 1.112 -8.570 274 H TYR 35 H TYR 35 -8.074 2.169 -3.476 275 HA TYR 35 HA TYR 35 -7.244 -0.402 -2.161 276 1HB TYR 35 1HB TYR 35 -6.497 1.659 -1.074 277 2HB TYR 35 2HB TYR 35 -8.142 2.292 -1.083 278 HD1 TYR 35 1HD TYR 35 -7.271 -1.247 -0.409 279 HD2 TYR 35 2HD TYR 35 -8.413 2.526 1.302 280 HE1 TYR 35 1HE TYR 35 -7.706 -2.363 1.764 281 HE2 TYR 35 2HE TYR 35 -8.848 1.409 3.472 282 HH TYR 35 HH TYR 35 -7.892 -0.865 4.593 283 H GLY 36 H GLY 36 -8.897 -1.698 -1.211 284 1HA GLY 36 1HA GLY 36 -11.607 -1.263 -2.280 285 2HA GLY 36 2HA GLY 36 -11.048 -2.703 -1.434 286 H ALA 37 H ALA 37 -9.978 -0.278 0.458 287 HA ALA 37 HA ALA 37 -10.820 0.854 2.368 288 1HB ALA 37 1HB ALA 37 -13.080 1.481 2.337 289 2HB ALA 37 2HB ALA 37 -13.585 -0.024 1.572 290 3HB ALA 37 3HB ALA 37 -12.745 1.205 0.628 291 H CYS 38 H CYS 38 -11.154 -2.440 1.703 292 HA CYS 38 HA CYS 38 -11.538 -3.004 4.602 293 1HB CYS 38 1HB CYS 38 -13.277 -4.666 4.058 294 2HB CYS 38 2HB CYS 38 -13.757 -3.065 3.497 295 H ARG 39 H ARG 39 -11.098 -5.424 5.010 296 HA ARG 39 HA ARG 39 -9.420 -7.106 4.926 297 1HB ARG 39 1HB ARG 39 -11.263 -7.238 2.898 298 2HB ARG 39 2HB ARG 39 -9.751 -7.260 1.993 299 1HG ARG 39 1HG ARG 39 -9.064 -9.265 2.932 300 2HG ARG 39 2HG ARG 39 -9.994 -9.012 4.409 301 1HD ARG 39 1HD ARG 39 -11.980 -9.780 3.435 302 2HD ARG 39 2HD ARG 39 -11.449 -9.366 1.792 303 HE ARG 39 HE ARG 39 -9.602 -11.249 2.587 304 1HH1 ARG 39 1HH1 ARG 39 -12.998 -11.051 2.132 305 2HH1 ARG 39 2HH1 ARG 39 -13.243 -12.765 2.151 306 1HH2 ARG 39 1HH2 ARG 39 -9.919 -13.496 2.821 307 2HH2 ARG 39 2HH2 ARG 39 -11.497 -14.151 2.542 308 H ALA 40 H ALA 40 -8.141 -4.682 4.984 309 HA ALA 40 HA ALA 40 -6.269 -4.532 2.684 310 1HB ALA 40 1HB ALA 40 -7.425 -2.786 4.656 311 2HB ALA 40 2HB ALA 40 -6.490 -2.354 3.225 312 3HB ALA 40 3HB ALA 40 -5.668 -2.676 4.751 313 H LYS 41 H LYS 41 -3.947 -4.538 3.064 314 HA LYS 41 HA LYS 41 -3.129 -6.104 5.493 315 1HB LYS 41 1HB LYS 41 -1.958 -6.057 2.690 316 2HB LYS 41 2HB LYS 41 -1.442 -7.108 4.008 317 1HG LYS 41 1HG LYS 41 -3.240 -8.497 3.770 318 2HG LYS 41 2HG LYS 41 -4.341 -7.172 3.391 319 1HD LYS 41 1HD LYS 41 -3.988 -7.367 1.147 320 2HD LYS 41 2HD LYS 41 -2.262 -7.671 1.351 321 1HE LYS 41 1HE LYS 41 -3.175 -9.726 0.509 322 2HE LYS 41 2HE LYS 41 -2.971 -9.996 2.251 323 1HZ LYS 41 1HZ LYS 41 -5.271 -10.416 1.070 324 2HZ LYS 41 2HZ LYS 41 -5.446 -8.741 1.293 325 3HZ LYS 41 3HZ LYS 41 -5.202 -9.757 2.631 326 H ARG 42 H ARG 42 -0.335 -5.781 5.097 327 HA ARG 42 HA ARG 42 0.048 -3.096 6.151 328 1HB ARG 42 1HB ARG 42 2.039 -5.186 5.208 329 2HB ARG 42 2HB ARG 42 2.388 -3.824 6.274 330 1HG ARG 42 1HG ARG 42 1.566 -4.910 8.083 331 2HG ARG 42 2HG ARG 42 0.126 -5.433 7.206 332 1HD ARG 42 1HD ARG 42 1.023 -7.523 7.168 333 2HD ARG 42 2HD ARG 42 2.289 -6.890 6.100 334 HE ARG 42 HE ARG 42 3.737 -6.923 7.959 335 1HH1 ARG 42 1HH2 ARG 42 0.798 -8.112 8.995 336 2HH1 ARG 42 2HH2 ARG 42 0.990 -7.665 10.658 337 1HH2 ARG 42 1HH1 ARG 42 3.851 -5.785 10.098 338 2HH2 ARG 42 2HH1 ARG 42 2.718 -6.346 11.282 339 H ASN 43 H ASN 43 0.257 -4.556 2.969 340 HA ASN 43 HA ASN 43 1.907 -2.420 1.823 341 1HB ASN 43 1HB ASN 43 1.471 -4.960 1.152 342 2HB ASN 43 2HB ASN 43 0.159 -4.247 0.212 343 1HD2 ASN 43 1HD2 ASN 43 3.708 -4.103 0.703 344 2HD2 ASN 43 2HD2 ASN 43 4.054 -3.460 -0.830 345 H ASN 44 H ASN 44 -0.063 -1.094 3.087 346 HA ASN 44 HA ASN 44 -1.518 0.249 0.917 347 1HB ASN 44 1HB ASN 44 -2.984 -1.647 1.318 348 2HB ASN 44 2HB ASN 44 -2.877 -1.421 3.063 349 1HD2 ASN 44 1HD2 ASN 44 -5.428 -1.445 1.946 350 2HD2 ASN 44 2HD2 ASN 44 -6.091 0.130 1.957 351 H PHE 45 H PHE 45 0.097 1.767 2.032 352 HA PHE 45 HA PHE 45 -0.571 2.656 4.750 353 1HB PHE 45 1HB PHE 45 1.322 3.882 2.728 354 2HB PHE 45 2HB PHE 45 1.420 3.966 4.487 355 HD1 PHE 45 1HD PHE 45 2.110 1.955 1.515 356 HD2 PHE 45 2HD PHE 45 1.995 1.922 5.809 357 HE1 PHE 45 1HE PHE 45 3.449 -0.135 1.536 358 HE2 PHE 45 2HE PHE 45 3.334 -0.164 5.830 359 HZ PHE 45 HZ PHE 45 4.059 -1.198 3.695 360 H LYS 46 H LYS 46 -1.571 4.609 5.278 361 HA LYS 46 HA LYS 46 -3.421 5.762 3.390 362 1HB LYS 46 1HB LYS 46 -2.418 6.906 6.013 363 2HB LYS 46 2HB LYS 46 -3.996 7.164 5.268 364 1HG LYS 46 1HG LYS 46 -4.808 5.297 6.236 365 2HG LYS 46 2HG LYS 46 -3.485 4.331 5.579 366 1HD LYS 46 1HD LYS 46 -3.308 4.159 7.961 367 2HD LYS 46 2HD LYS 46 -2.043 5.283 7.463 368 1HE LYS 46 1HE LYS 46 -3.176 7.137 8.334 369 2HE LYS 46 2HE LYS 46 -4.762 6.353 8.197 370 1HZ LYS 46 1HZ LYS 46 -3.920 6.385 10.502 371 2HZ LYS 46 2HZ LYS 46 -2.562 5.490 10.012 372 3HZ LYS 46 3HZ LYS 46 -4.113 4.804 9.920 373 H SER 47 H SER 47 -0.136 6.508 4.327 374 HA SER 47 HA SER 47 -0.168 8.821 2.424 375 1HB SER 47 1HB SER 47 1.132 10.093 4.061 376 2HB SER 47 2HB SER 47 -0.359 9.532 4.806 377 HG SER 47 HG SER 47 0.762 8.417 6.158 378 H ALA 48 H ALA 48 1.950 9.274 1.498 379 HA ALA 48 HA ALA 48 3.492 6.944 0.826 380 1HB ALA 48 1HB ALA 48 4.500 8.419 -0.627 381 2HB ALA 48 2HB ALA 48 4.687 9.664 0.609 382 3HB ALA 48 3HB ALA 48 3.127 9.432 -0.180 383 H GLU 49 H GLU 49 3.686 9.237 3.445 384 HA GLU 49 HA GLU 49 6.468 8.735 4.147 385 1HB GLU 49 1HB GLU 49 4.096 9.874 5.667 386 2HB GLU 49 2HB GLU 49 5.773 9.966 6.209 387 1HG GLU 49 1HG GLU 49 6.300 11.595 4.698 388 2HG GLU 49 2HG GLU 49 5.281 10.896 3.439 389 H ASP 50 H ASP 50 3.366 7.269 4.887 390 HA ASP 50 HA ASP 50 4.259 5.732 7.187 391 1HB ASP 50 1HB ASP 50 1.920 6.193 6.894 392 2HB ASP 50 2HB ASP 50 1.942 5.584 5.239 393 H CYS 51 H CYS 51 4.060 5.221 3.696 394 HA CYS 51 HA CYS 51 4.788 2.411 3.741 395 1HB CYS 51 1HB CYS 51 3.604 3.431 1.874 396 2HB CYS 51 2HB CYS 51 4.897 4.610 1.647 397 H MET 52 H MET 52 6.564 5.461 3.195 398 HA MET 52 HA MET 52 9.154 4.250 2.798 399 1HB MET 52 1HB MET 52 7.953 6.925 3.288 400 2HB MET 52 2HB MET 52 9.657 6.762 3.714 401 1HG MET 52 1HG MET 52 8.672 5.730 1.067 402 2HG MET 52 2HG MET 52 9.000 7.453 1.268 403 1HE MET 52 1HE MET 52 10.842 5.143 -0.729 404 2HE MET 52 2HE MET 52 9.952 4.220 0.478 405 3HE MET 52 3HE MET 52 11.708 4.102 0.409 406 H ARG 53 H ARG 53 7.727 5.934 5.626 407 HA ARG 53 HA ARG 53 9.789 5.475 7.492 408 1HB ARG 53 1HB ARG 53 7.992 6.918 8.063 409 2HB ARG 53 2HB ARG 53 6.780 5.711 7.638 410 1HG ARG 53 1HG ARG 53 8.636 4.816 9.732 411 2HG ARG 53 2HG ARG 53 7.681 6.225 10.197 412 1HD ARG 53 1HD ARG 53 6.134 4.128 8.800 413 2HD ARG 53 2HD ARG 53 6.778 3.639 10.380 414 HE ARG 53 HE ARG 53 5.689 6.303 10.533 415 1HH1 ARG 53 1HH2 ARG 53 3.900 4.029 9.085 416 2HH1 ARG 53 2HH2 ARG 53 2.772 3.761 10.371 417 1HH2 ARG 53 1HH1 ARG 53 4.631 5.513 12.720 418 2HH2 ARG 53 2HH1 ARG 53 3.186 4.602 12.432 419 H THR 54 H THR 54 7.498 3.260 6.092 420 HA THR 54 HA THR 54 8.064 1.158 8.122 421 HB THR 54 HB THR 54 6.137 1.535 5.819 422 HG1 THR 54 1HG THR 54 4.809 0.806 7.780 423 1HG2 THR 54 1HG2 THR 54 6.639 -1.008 7.385 424 2HG2 THR 54 2HG2 THR 54 6.959 -0.766 5.667 425 3HG2 THR 54 3HG2 THR 54 5.301 -0.747 6.267 426 H CYS 55 H CYS 55 8.483 1.852 4.657 427 HA CYS 55 HA CYS 55 10.518 -0.346 4.546 428 1HB CYS 55 1HB CYS 55 8.077 -0.570 3.510 429 2HB CYS 55 2HB CYS 55 8.807 0.351 2.194 430 H GLY 56 H GLY 56 11.249 2.354 4.984 431 1HA GLY 56 1HA GLY 56 12.155 3.267 2.288 432 2HA GLY 56 2HA GLY 56 12.029 4.311 3.707 433 H GLY 57 H GLY 57 14.411 4.012 2.124 434 1HA GLY 57 1HA GLY 57 16.690 4.091 2.944 435 2HA GLY 57 2HA GLY 57 16.229 2.989 4.244 436 H ALA 58 H ALA 58 17.697 3.199 1.198 437 HA ALA 58 HA ALA 58 17.893 0.235 1.059 438 1HB ALA 58 1HB ALA 58 16.384 2.035 -0.736 439 2HB ALA 58 2HB ALA 58 16.192 0.303 -0.464 440 3HB ALA 58 3HB ALA 58 17.436 0.890 -1.567 Start of MODEL 21 1 1H ARG 1 1H ARG 1 15.245 -5.047 4.493 2 2H ARG 1 2H ARG 1 14.994 -4.173 5.928 3 3H ARG 1 3H ARG 1 15.615 -3.393 4.552 4 HA ARG 1 HA ARG 1 13.216 -2.920 4.950 5 1HB ARG 1 1HB ARG 1 14.690 -3.774 2.613 6 2HB ARG 1 2HB ARG 1 12.982 -4.171 2.420 7 1HG ARG 1 1HG ARG 1 12.653 -1.708 3.355 8 2HG ARG 1 2HG ARG 1 14.288 -1.494 2.728 9 1HD ARG 1 1HD ARG 1 12.318 -2.862 0.937 10 2HD ARG 1 2HD ARG 1 12.137 -1.111 1.166 11 HE ARG 1 HE ARG 1 14.020 -0.961 -0.260 12 1HH1 ARG 1 1HH1 ARG 1 13.921 -4.189 0.247 13 2HH1 ARG 1 2HH1 ARG 1 15.628 -4.441 0.393 14 1HH2 ARG 1 1HH2 ARG 1 16.375 -1.061 0.604 15 2HH2 ARG 1 2HH2 ARG 1 17.018 -2.669 0.599 16 HA PRO 2 HA PRO 2 10.808 -6.456 6.053 17 1HB PRO 2 1HB PRO 2 8.325 -5.370 5.639 18 2HB PRO 2 2HB PRO 2 9.324 -4.999 7.054 19 1HG PRO 2 1HG PRO 2 8.912 -3.448 4.539 20 2HG PRO 2 2HG PRO 2 9.027 -2.863 6.204 21 1HD PRO 2 1HD PRO 2 11.076 -2.725 4.406 22 2HD PRO 2 2HD PRO 2 11.329 -2.867 6.161 23 H ASP 3 H ASP 3 9.898 -8.173 4.908 24 HA ASP 3 HA ASP 3 9.975 -8.058 2.004 25 1HB ASP 3 1HB ASP 3 10.281 -9.961 3.931 26 2HB ASP 3 2HB ASP 3 8.635 -10.302 3.399 27 H PHE 4 H PHE 4 7.490 -7.600 4.441 28 HA PHE 4 HA PHE 4 5.242 -8.283 2.770 29 1HB PHE 4 1HB PHE 4 3.935 -7.264 4.510 30 2HB PHE 4 2HB PHE 4 5.297 -8.072 5.275 31 HD1 PHE 4 1HD PHE 4 6.588 -6.911 6.820 32 HD2 PHE 4 2HD PHE 4 4.273 -4.712 3.950 33 HE1 PHE 4 1HE PHE 4 7.113 -4.792 7.997 34 HE2 PHE 4 2HE PHE 4 4.779 -2.645 5.105 35 HZ PHE 4 HZ PHE 4 6.211 -2.649 7.140 36 H CYS 5 H CYS 5 7.385 -5.600 2.734 37 HA CYS 5 HA CYS 5 5.489 -3.751 1.435 38 1HB CYS 5 1HB CYS 5 8.443 -3.780 2.086 39 2HB CYS 5 2HB CYS 5 7.721 -2.479 1.138 40 H LEU 6 H LEU 6 7.730 -6.249 0.534 41 HA LEU 6 HA LEU 6 8.240 -5.373 -2.186 42 1HB LEU 6 1HB LEU 6 8.344 -8.169 -1.016 43 2HB LEU 6 2HB LEU 6 9.290 -7.539 -2.363 44 HG LEU 6 HG LEU 6 9.500 -6.769 0.558 45 1HD1 LEU 6 1HD1 LEU 6 11.469 -7.921 -1.441 46 2HD1 LEU 6 2HD1 LEU 6 10.712 -8.797 -0.110 47 3HD1 LEU 6 3HD1 LEU 6 11.848 -7.491 0.226 48 1HD2 LEU 6 1HD2 LEU 6 10.375 -5.363 -1.937 49 2HD2 LEU 6 2HD2 LEU 6 11.463 -5.344 -0.551 50 3HD2 LEU 6 3HD2 LEU 6 9.835 -4.684 -0.401 51 H GLU 7 H GLU 7 5.658 -7.094 -0.600 52 HA GLU 7 HA GLU 7 4.591 -8.453 -2.921 53 1HB GLU 7 1HB GLU 7 3.839 -7.810 -0.125 54 2HB GLU 7 2HB GLU 7 2.491 -8.124 -1.218 55 1HG GLU 7 1HG GLU 7 2.930 -10.305 -0.666 56 2HG GLU 7 2HG GLU 7 4.156 -10.145 -1.926 57 HA PRO 8 HA PRO 8 2.477 -5.165 -4.924 58 1HB PRO 8 1HB PRO 8 0.228 -6.448 -5.825 59 2HB PRO 8 2HB PRO 8 1.835 -6.693 -6.538 60 1HG PRO 8 1HG PRO 8 0.325 -8.381 -4.595 61 2HG PRO 8 2HG PRO 8 1.339 -8.870 -5.962 62 1HD PRO 8 1HD PRO 8 2.157 -8.922 -3.348 63 2HD PRO 8 2HD PRO 8 3.264 -8.738 -4.726 64 HA PRO 9 HA PRO 9 -0.605 -3.492 -2.279 65 1HB PRO 9 1HB PRO 9 -2.304 -2.220 -4.015 66 2HB PRO 9 2HB PRO 9 -0.684 -1.612 -3.620 67 1HG PRO 9 1HG PRO 9 -1.633 -3.123 -6.009 68 2HG PRO 9 2HG PRO 9 -0.462 -1.799 -5.904 69 1HD PRO 9 1HD PRO 9 0.216 -4.447 -6.161 70 2HD PRO 9 2HD PRO 9 1.267 -3.222 -5.419 71 H TYR 10 H TYR 10 -3.168 -3.355 -2.070 72 HA TYR 10 HA TYR 10 -4.449 -5.817 -3.207 73 1HB TYR 10 1HB TYR 10 -3.311 -6.008 -0.872 74 2HB TYR 10 2HB TYR 10 -4.656 -5.021 -0.305 75 HD1 TYR 10 1HD TYR 10 -6.404 -6.238 0.625 76 HD2 TYR 10 2HD TYR 10 -4.209 -7.919 -2.661 77 HE1 TYR 10 1HE TYR 10 -7.849 -8.252 0.693 78 HE2 TYR 10 2HE TYR 10 -5.652 -9.933 -2.596 79 HH TYR 10 HH TYR 10 -7.082 -11.111 -0.775 80 H THR 11 H THR 11 -5.812 -4.491 -4.490 81 HA THR 11 HA THR 11 -7.275 -2.219 -3.581 82 HB THR 11 HB THR 11 -7.551 -4.307 -5.738 83 HG1 THR 11 1HG THR 11 -6.148 -2.654 -6.147 84 1HG2 THR 11 1HG2 THR 11 -9.472 -2.772 -6.587 85 2HG2 THR 11 2HG2 THR 11 -9.614 -2.280 -4.900 86 3HG2 THR 11 3HG2 THR 11 -9.846 -3.970 -5.349 87 H GLY 12 H GLY 12 -7.606 -5.629 -3.034 88 1HA GLY 12 1HA GLY 12 -9.099 -6.834 -1.674 89 2HA GLY 12 2HA GLY 12 -9.550 -5.289 -0.950 90 HA PRO 13 HA PRO 13 -12.700 -6.913 -4.172 91 1HB PRO 13 1HB PRO 13 -14.171 -8.709 -2.717 92 2HB PRO 13 2HB PRO 13 -12.785 -9.179 -3.723 93 1HG PRO 13 1HG PRO 13 -12.962 -8.781 -0.774 94 2HG PRO 13 2HG PRO 13 -12.068 -10.000 -1.694 95 1HD PRO 13 1HD PRO 13 -10.937 -7.757 -0.587 96 2HD PRO 13 2HD PRO 13 -10.270 -8.614 -1.993 97 H CYS 14 H CYS 14 -12.896 -4.565 -3.071 98 HA CYS 14 HA CYS 14 -15.396 -4.530 -1.412 99 1HB CYS 14 1HB CYS 14 -12.889 -2.863 -1.506 100 2HB CYS 14 2HB CYS 14 -14.376 -2.178 -0.851 101 H LYS 15 H LYS 15 -16.662 -2.404 -1.805 102 HA LYS 15 HA LYS 15 -16.915 -2.026 -4.741 103 1HB LYS 15 1HB LYS 15 -18.687 -2.411 -2.668 104 2HB LYS 15 2HB LYS 15 -18.774 -0.664 -2.901 105 1HG LYS 15 1HG LYS 15 -19.013 -1.188 -5.411 106 2HG LYS 15 2HG LYS 15 -19.318 -2.854 -4.914 107 1HD LYS 15 1HD LYS 15 -20.926 -1.226 -3.250 108 2HD LYS 15 2HD LYS 15 -21.119 -0.597 -4.887 109 1HE LYS 15 1HE LYS 15 -22.767 -2.393 -4.453 110 2HE LYS 15 2HE LYS 15 -21.600 -2.926 -5.680 111 1HZ LYS 15 1HZ LYS 15 -22.064 -4.431 -3.636 112 2HZ LYS 15 2HZ LYS 15 -21.054 -3.342 -2.809 113 3HZ LYS 15 3HZ LYS 15 -20.462 -4.209 -4.146 114 H ALA 16 H ALA 16 -15.117 -0.608 -2.390 115 HA ALA 16 HA ALA 16 -15.584 2.188 -3.353 116 1HB ALA 16 1HB ALA 16 -15.659 2.235 -1.035 117 2HB ALA 16 2HB ALA 16 -13.925 2.463 -1.269 118 3HB ALA 16 3HB ALA 16 -14.558 0.865 -0.873 119 H ARG 17 H ARG 17 -13.364 3.465 -3.372 120 HA ARG 17 HA ARG 17 -11.056 1.820 -4.211 121 1HB ARG 17 1HB ARG 17 -11.023 3.084 -6.426 122 2HB ARG 17 2HB ARG 17 -12.318 1.900 -6.252 123 1HG ARG 17 1HG ARG 17 -13.855 3.723 -5.550 124 2HG ARG 17 2HG ARG 17 -12.554 4.891 -5.792 125 1HD ARG 17 1HD ARG 17 -14.127 4.705 -7.766 126 2HD ARG 17 2HD ARG 17 -12.444 4.318 -8.177 127 HE ARG 17 HE ARG 17 -13.890 1.971 -7.269 128 1HH1 ARG 17 1HH1 ARG 17 -11.903 2.271 -9.603 129 2HH1 ARG 17 2HH1 ARG 17 -12.932 1.892 -10.945 130 1HH2 ARG 17 1HH2 ARG 17 -15.869 2.264 -9.144 131 2HH2 ARG 17 2HH2 ARG 17 -15.175 1.889 -10.686 132 H ILE 18 H ILE 18 -10.500 3.125 -2.134 133 HA ILE 18 HA ILE 18 -10.030 6.000 -2.480 134 HB ILE 18 HB ILE 18 -9.238 3.973 -0.362 135 1HG1 ILE 18 1HG1 ILE 18 -11.318 6.109 -0.035 136 2HG1 ILE 18 2HG1 ILE 18 -11.740 4.646 -0.926 137 1HG2 ILE 18 1HG2 ILE 18 -9.025 6.988 -0.476 138 2HG2 ILE 18 2HG2 ILE 18 -7.739 5.824 -0.150 139 3HG2 ILE 18 3HG2 ILE 18 -9.008 6.095 1.045 140 1HD1 ILE 18 1HD1 ILE 18 -11.856 3.434 0.977 141 2HD1 ILE 18 2HD1 ILE 18 -11.755 4.959 1.855 142 3HD1 ILE 18 3HD1 ILE 18 -10.291 4.032 1.528 143 H ILE 19 H ILE 19 -7.839 6.943 -2.411 144 HA ILE 19 HA ILE 19 -5.880 5.281 -3.894 145 HB ILE 19 HB ILE 19 -6.367 8.199 -3.353 146 1HG1 ILE 19 1HG1 ILE 19 -7.341 6.891 -5.312 147 2HG1 ILE 19 2HG1 ILE 19 -6.416 8.328 -5.751 148 1HG2 ILE 19 1HG2 ILE 19 -4.156 8.486 -4.740 149 2HG2 ILE 19 2HG2 ILE 19 -3.753 6.899 -4.085 150 3HG2 ILE 19 3HG2 ILE 19 -4.052 8.252 -2.994 151 1HD1 ILE 19 1HD1 ILE 19 -4.474 6.985 -6.293 152 2HD1 ILE 19 2HD1 ILE 19 -5.860 6.282 -7.126 153 3HD1 ILE 19 3HD1 ILE 19 -5.243 5.532 -5.655 154 H ARG 20 H ARG 20 -5.143 3.949 -2.110 155 HA ARG 20 HA ARG 20 -3.876 5.311 0.206 156 1HB ARG 20 1HB ARG 20 -4.525 2.477 -0.600 157 2HB ARG 20 2HB ARG 20 -3.476 2.806 0.778 158 1HG ARG 20 1HG ARG 20 -6.236 4.011 0.450 159 2HG ARG 20 2HG ARG 20 -5.919 2.537 1.365 160 1HD ARG 20 1HD ARG 20 -4.879 3.681 3.086 161 2HD ARG 20 2HD ARG 20 -4.237 4.930 2.001 162 HE ARG 20 HE ARG 20 -6.727 5.650 1.804 163 1HH1 ARG 20 1HH1 ARG 20 -4.938 4.979 4.599 164 2HH1 ARG 20 2HH1 ARG 20 -6.255 5.226 5.697 165 1HH2 ARG 20 1HH2 ARG 20 -8.625 5.592 3.191 166 2HH2 ARG 20 2HH2 ARG 20 -8.343 5.568 4.900 167 H TYR 21 H TYR 21 -1.663 3.955 0.791 168 HA TYR 21 HA TYR 21 0.040 4.149 -1.673 169 1HB TYR 21 1HB TYR 21 0.466 4.908 1.219 170 2HB TYR 21 2HB TYR 21 1.814 4.747 0.095 171 HD1 TYR 21 1HD TYR 21 2.142 6.319 -1.718 172 HD2 TYR 21 2HD TYR 21 -1.242 6.641 0.904 173 HE1 TYR 21 1HE TYR 21 1.684 8.594 -2.593 174 HE2 TYR 21 2HE TYR 21 -1.703 8.920 0.030 175 HH TYR 21 HH TYR 21 0.000 10.198 -2.741 176 H PHE 22 H PHE 22 1.571 2.554 -2.011 177 HA PHE 22 HA PHE 22 1.910 0.404 0.026 178 1HB PHE 22 1HB PHE 22 1.223 -1.286 -1.485 179 2HB PHE 22 2HB PHE 22 0.052 -0.005 -1.756 180 HD1 PHE 22 1HD PHE 22 0.283 1.509 -3.739 181 HD2 PHE 22 2HD PHE 22 2.787 -1.935 -3.178 182 HE1 PHE 22 1HE PHE 22 0.951 1.606 -6.125 183 HE2 PHE 22 2HE PHE 22 3.456 -1.839 -5.564 184 HZ PHE 22 HZ PHE 22 2.538 -0.069 -7.038 185 H TYR 23 H TYR 23 3.841 -1.003 -0.640 186 HA TYR 23 HA TYR 23 5.938 0.773 -1.801 187 1HB TYR 23 1HB TYR 23 6.201 -0.361 0.408 188 2HB TYR 23 2HB TYR 23 6.143 -1.921 -0.416 189 HD1 TYR 23 1HD TYR 23 8.084 -2.801 -1.481 190 HD2 TYR 23 2HD TYR 23 7.993 1.319 -0.272 191 HE1 TYR 23 1HE TYR 23 10.486 -2.585 -2.046 192 HE2 TYR 23 2HE TYR 23 10.400 1.532 -0.841 193 HH TYR 23 HH TYR 23 12.362 0.092 -1.091 194 H ASN 24 H ASN 24 6.151 0.569 -3.996 195 HA ASN 24 HA ASN 24 5.556 -1.963 -5.378 196 1HB ASN 24 1HB ASN 24 4.969 0.244 -6.315 197 2HB ASN 24 2HB ASN 24 6.666 0.717 -6.284 198 1HD2 ASN 24 1HD2 ASN 24 4.611 0.136 -8.579 199 2HD2 ASN 24 2HD2 ASN 24 5.478 -0.893 -9.616 200 H ALA 25 H ALA 25 7.231 -3.389 -4.550 201 HA ALA 25 HA ALA 25 9.951 -2.893 -4.229 202 1HB ALA 25 1HB ALA 25 8.195 -5.168 -4.829 203 2HB ALA 25 2HB ALA 25 9.546 -5.066 -3.700 204 3HB ALA 25 3HB ALA 25 9.844 -5.405 -5.405 205 H LYS 26 H LYS 26 8.123 -3.035 -7.197 206 HA LYS 26 HA LYS 26 10.441 -3.329 -8.958 207 1HB LYS 26 1HB LYS 26 7.797 -3.798 -9.184 208 2HB LYS 26 2HB LYS 26 7.844 -2.173 -9.866 209 1HG LYS 26 1HG LYS 26 8.237 -3.497 -11.754 210 2HG LYS 26 2HG LYS 26 9.879 -3.109 -11.237 211 1HD LYS 26 1HD LYS 26 8.998 -5.425 -9.797 212 2HD LYS 26 2HD LYS 26 8.688 -5.686 -11.514 213 1HE LYS 26 1HE LYS 26 11.344 -4.823 -10.306 214 2HE LYS 26 2HE LYS 26 10.971 -6.429 -10.963 215 1HZ LYS 26 1HZ LYS 26 11.844 -5.355 -12.799 216 2HZ LYS 26 2HZ LYS 26 11.216 -3.840 -12.357 217 3HZ LYS 26 3HZ LYS 26 10.191 -5.034 -12.999 218 H ALA 27 H ALA 27 8.749 -0.709 -7.386 219 HA ALA 27 HA ALA 27 9.956 1.340 -9.164 220 1HB ALA 27 1HB ALA 27 8.470 2.827 -7.989 221 2HB ALA 27 2HB ALA 27 8.254 1.667 -6.679 222 3HB ALA 27 3HB ALA 27 7.568 1.337 -8.270 223 H GLY 28 H GLY 28 10.347 -0.034 -5.944 224 1HA GLY 28 1HA GLY 28 12.384 0.108 -4.675 225 2HA GLY 28 2HA GLY 28 12.868 1.492 -5.656 226 H LEU 29 H LEU 29 9.706 2.027 -4.898 227 HA LEU 29 HA LEU 29 10.154 3.110 -2.198 228 1HB LEU 29 1HB LEU 29 9.892 5.367 -2.830 229 2HB LEU 29 2HB LEU 29 10.969 4.707 -4.057 230 HG LEU 29 HG LEU 29 8.008 5.284 -4.304 231 1HD1 LEU 29 1HD1 LEU 29 10.440 6.132 -5.895 232 2HD1 LEU 29 2HD1 LEU 29 9.609 7.123 -4.698 233 3HD1 LEU 29 3HD1 LEU 29 8.782 6.659 -6.185 234 1HD2 LEU 29 1HD2 LEU 29 8.319 4.341 -6.652 235 2HD2 LEU 29 2HD2 LEU 29 8.286 3.141 -5.360 236 3HD2 LEU 29 3HD2 LEU 29 9.824 3.627 -6.075 237 H CYS 30 H CYS 30 7.834 4.867 -2.484 238 HA CYS 30 HA CYS 30 5.707 2.766 -2.526 239 1HB CYS 30 1HB CYS 30 6.029 5.407 -1.081 240 2HB CYS 30 2HB CYS 30 4.545 4.455 -1.032 241 H GLN 31 H GLN 31 3.678 3.280 -3.447 242 HA GLN 31 HA GLN 31 3.460 5.750 -5.096 243 1HB GLN 31 1HB GLN 31 3.598 2.884 -5.977 244 2HB GLN 31 2HB GLN 31 2.542 3.979 -6.869 245 1HG GLN 31 1HG GLN 31 4.351 5.400 -7.468 246 2HG GLN 31 2HG GLN 31 5.417 4.686 -6.257 247 1HE2 GLN 31 1HE2 GLN 31 6.889 4.344 -8.222 248 2HE2 GLN 31 2HE2 GLN 31 6.642 2.957 -9.168 249 H THR 32 H THR 32 1.069 5.743 -6.038 250 HA THR 32 HA THR 32 -0.704 4.987 -3.774 251 HB THR 32 HB THR 32 -2.271 6.426 -5.376 252 HG1 THR 32 1HG THR 32 -1.227 7.128 -7.032 253 1HG2 THR 32 1HG2 THR 32 -0.115 8.074 -4.176 254 2HG2 THR 32 2HG2 THR 32 -0.908 6.927 -3.095 255 3HG2 THR 32 3HG2 THR 32 -1.861 8.151 -3.936 256 H PHE 33 H PHE 33 -2.461 3.611 -4.029 257 HA PHE 33 HA PHE 33 -2.926 2.414 -6.722 258 1HB PHE 33 1HB PHE 33 -2.614 0.221 -5.911 259 2HB PHE 33 2HB PHE 33 -1.311 1.125 -5.155 260 HD1 PHE 33 1HD PHE 33 -4.510 -0.590 -4.618 261 HD2 PHE 33 2HD PHE 33 -1.363 1.662 -2.743 262 HE1 PHE 33 1HE PHE 33 -5.329 -1.294 -2.386 263 HE2 PHE 33 2HE PHE 33 -2.190 0.971 -0.520 264 HZ PHE 33 HZ PHE 33 -4.172 -0.514 -0.335 265 H VAL 34 H VAL 34 -5.043 1.270 -6.795 266 HA VAL 34 HA VAL 34 -7.102 2.847 -5.478 267 HB VAL 34 HB VAL 34 -7.082 0.416 -7.284 268 1HG1 VAL 34 1HG1 VAL 34 -9.568 1.234 -7.593 269 2HG1 VAL 34 2HG1 VAL 34 -9.346 1.895 -5.972 270 3HG1 VAL 34 3HG1 VAL 34 -9.162 0.163 -6.251 271 1HG2 VAL 34 1HG2 VAL 34 -6.939 3.304 -7.630 272 2HG2 VAL 34 2HG2 VAL 34 -8.311 2.617 -8.500 273 3HG2 VAL 34 3HG2 VAL 34 -6.679 2.026 -8.817 274 H TYR 35 H TYR 35 -7.158 2.460 -3.253 275 HA TYR 35 HA TYR 35 -7.114 -0.265 -2.163 276 1HB TYR 35 1HB TYR 35 -6.117 1.575 -0.944 277 2HB TYR 35 2HB TYR 35 -7.609 2.510 -1.037 278 HD1 TYR 35 1HD TYR 35 -7.390 -1.137 -0.388 279 HD2 TYR 35 2HD TYR 35 -8.056 2.753 1.308 280 HE1 TYR 35 1HE TYR 35 -8.178 -2.187 1.714 281 HE2 TYR 35 2HE TYR 35 -8.843 1.702 3.411 282 HH TYR 35 HH TYR 35 -8.582 -0.443 4.603 283 H GLY 36 H GLY 36 -8.959 -1.379 -1.367 284 1HA GLY 36 1HA GLY 36 -11.537 -0.487 -2.476 285 2HA GLY 36 2HA GLY 36 -11.221 -2.044 -1.714 286 H ALA 37 H ALA 37 -9.950 0.315 0.265 287 HA ALA 37 HA ALA 37 -10.768 1.491 2.165 288 1HB ALA 37 1HB ALA 37 -12.799 1.696 0.475 289 2HB ALA 37 2HB ALA 37 -13.001 2.118 2.174 290 3HB ALA 37 3HB ALA 37 -13.552 0.550 1.584 291 H CYS 38 H CYS 38 -11.699 -1.827 1.470 292 HA CYS 38 HA CYS 38 -11.493 -2.418 4.388 293 1HB CYS 38 1HB CYS 38 -13.353 -4.236 3.544 294 2HB CYS 38 2HB CYS 38 -13.762 -2.699 4.293 295 H ARG 39 H ARG 39 -11.140 -4.858 4.714 296 HA ARG 39 HA ARG 39 -9.804 -6.763 4.264 297 1HB ARG 39 1HB ARG 39 -11.241 -5.996 1.774 298 2HB ARG 39 2HB ARG 39 -9.910 -7.134 1.576 299 1HG ARG 39 1HG ARG 39 -11.647 -7.746 3.868 300 2HG ARG 39 2HG ARG 39 -12.482 -7.814 2.314 301 1HD ARG 39 1HD ARG 39 -11.544 -9.857 1.991 302 2HD ARG 39 2HD ARG 39 -9.958 -9.063 1.926 303 HE ARG 39 HE ARG 39 -9.872 -9.320 4.420 304 1HH1 ARG 39 1HH1 ARG 39 -12.964 -10.141 4.002 305 2HH1 ARG 39 2HH1 ARG 39 -12.866 -11.763 4.602 306 1HH2 ARG 39 1HH2 ARG 39 -9.398 -11.834 4.600 307 2HH2 ARG 39 2HH2 ARG 39 -10.847 -12.723 4.937 308 H ALA 40 H ALA 40 -8.399 -4.303 4.505 309 HA ALA 40 HA ALA 40 -6.517 -4.050 2.256 310 1HB ALA 40 1HB ALA 40 -6.653 -2.810 5.022 311 2HB ALA 40 2HB ALA 40 -7.342 -2.127 3.553 312 3HB ALA 40 3HB ALA 40 -5.594 -2.271 3.719 313 H LYS 41 H LYS 41 -4.149 -4.170 2.671 314 HA LYS 41 HA LYS 41 -3.454 -6.354 4.610 315 1HB LYS 41 1HB LYS 41 -2.095 -5.558 2.013 316 2HB LYS 41 2HB LYS 41 -1.772 -7.002 2.972 317 1HG LYS 41 1HG LYS 41 -4.265 -7.570 2.608 318 2HG LYS 41 2HG LYS 41 -4.229 -6.337 1.346 319 1HD LYS 41 1HD LYS 41 -3.137 -7.713 -0.073 320 2HD LYS 41 2HD LYS 41 -1.947 -8.140 1.155 321 1HE LYS 41 1HE LYS 41 -3.571 -9.767 2.127 322 2HE LYS 41 2HE LYS 41 -4.716 -9.362 0.833 323 1HZ LYS 41 1HZ LYS 41 -2.828 -9.863 -0.738 324 2HZ LYS 41 2HZ LYS 41 -3.470 -11.212 0.072 325 3HZ LYS 41 3HZ LYS 41 -1.997 -10.532 0.580 326 H ARG 42 H ARG 42 -0.685 -6.044 4.571 327 HA ARG 42 HA ARG 42 -0.353 -3.638 6.186 328 1HB ARG 42 1HB ARG 42 1.618 -4.664 6.807 329 2HB ARG 42 2HB ARG 42 0.774 -6.065 6.223 330 1HG ARG 42 1HG ARG 42 2.640 -4.410 4.577 331 2HG ARG 42 2HG ARG 42 3.084 -5.888 5.427 332 1HD ARG 42 1HD ARG 42 0.810 -5.883 3.475 333 2HD ARG 42 2HD ARG 42 2.486 -6.101 2.947 334 HE ARG 42 HE ARG 42 2.279 -7.837 5.074 335 1HH1 ARG 42 1HH1 ARG 42 -0.613 -8.090 4.769 336 2HH1 ARG 42 2HH1 ARG 42 -0.788 -9.338 3.581 337 1HH2 ARG 42 1HH2 ARG 42 2.487 -9.096 2.462 338 2HH2 ARG 42 2HH2 ARG 42 0.969 -9.912 2.277 339 H ASN 43 H ASN 43 0.061 -4.452 2.874 340 HA ASN 43 HA ASN 43 1.894 -2.196 2.318 341 1HB ASN 43 1HB ASN 43 1.650 -4.678 1.281 342 2HB ASN 43 2HB ASN 43 0.600 -3.802 0.167 343 1HD2 ASN 43 1HD2 ASN 43 3.534 -4.940 0.008 344 2HD2 ASN 43 2HD2 ASN 43 4.397 -3.648 -0.675 345 H ASN 44 H ASN 44 -0.338 -1.177 3.379 346 HA ASN 44 HA ASN 44 -1.635 0.248 1.114 347 1HB ASN 44 1HB ASN 44 -3.098 -1.649 1.521 348 2HB ASN 44 2HB ASN 44 -2.991 -1.424 3.265 349 1HD2 ASN 44 1HD2 ASN 44 -5.524 -1.470 2.019 350 2HD2 ASN 44 2HD2 ASN 44 -6.214 0.091 2.078 351 H PHE 45 H PHE 45 0.026 1.709 2.294 352 HA PHE 45 HA PHE 45 -0.723 2.646 4.970 353 1HB PHE 45 1HB PHE 45 1.305 3.766 3.016 354 2HB PHE 45 2HB PHE 45 1.329 3.885 4.775 355 HD1 PHE 45 1HD PHE 45 2.044 1.767 1.872 356 HD2 PHE 45 2HD PHE 45 1.800 1.849 6.162 357 HE1 PHE 45 1HE PHE 45 3.294 -0.374 1.983 358 HE2 PHE 45 2HE PHE 45 3.052 -0.293 6.272 359 HZ PHE 45 HZ PHE 45 3.799 -1.423 4.180 360 H LYS 46 H LYS 46 -1.742 4.589 5.439 361 HA LYS 46 HA LYS 46 -3.483 5.779 3.498 362 1HB LYS 46 1HB LYS 46 -3.845 5.681 5.948 363 2HB LYS 46 2HB LYS 46 -2.494 6.790 6.185 364 1HG LYS 46 1HG LYS 46 -3.869 8.269 4.450 365 2HG LYS 46 2HG LYS 46 -5.221 7.320 5.068 366 1HD LYS 46 1HD LYS 46 -5.177 8.367 7.082 367 2HD LYS 46 2HD LYS 46 -3.415 8.326 7.164 368 1HE LYS 46 1HE LYS 46 -3.562 10.172 5.288 369 2HE LYS 46 2HE LYS 46 -5.209 10.395 5.911 370 1HZ LYS 46 1HZ LYS 46 -2.856 10.199 7.703 371 2HZ LYS 46 2HZ LYS 46 -4.401 10.815 8.055 372 3HZ LYS 46 3HZ LYS 46 -3.343 11.687 7.052 373 H SER 47 H SER 47 -0.183 6.481 4.416 374 HA SER 47 HA SER 47 -0.169 8.714 2.436 375 1HB SER 47 1HB SER 47 0.983 10.142 4.056 376 2HB SER 47 2HB SER 47 -0.552 9.606 4.729 377 HG SER 47 HG SER 47 0.442 8.404 6.151 378 H ALA 48 H ALA 48 1.935 9.118 1.562 379 HA ALA 48 HA ALA 48 3.591 6.865 1.118 380 1HB ALA 48 1HB ALA 48 3.827 9.849 0.846 381 2HB ALA 48 2HB ALA 48 3.776 8.620 -0.418 382 3HB ALA 48 3HB ALA 48 5.244 8.849 0.531 383 H GLU 49 H GLU 49 3.636 9.301 3.661 384 HA GLU 49 HA GLU 49 6.270 8.819 4.686 385 1HB GLU 49 1HB GLU 49 4.360 10.622 5.125 386 2HB GLU 49 2HB GLU 49 3.953 9.529 6.449 387 1HG GLU 49 1HG GLU 49 6.297 9.658 7.250 388 2HG GLU 49 2HG GLU 49 6.671 10.784 5.944 389 H ASP 50 H ASP 50 3.157 7.226 5.253 390 HA ASP 50 HA ASP 50 4.150 5.573 7.453 391 1HB ASP 50 1HB ASP 50 1.813 6.218 7.324 392 2HB ASP 50 2HB ASP 50 1.675 5.557 5.695 393 H CYS 51 H CYS 51 3.845 5.317 3.967 394 HA CYS 51 HA CYS 51 4.406 2.430 3.899 395 1HB CYS 51 1HB CYS 51 2.979 3.486 2.221 396 2HB CYS 51 2HB CYS 51 4.257 4.628 1.803 397 H MET 52 H MET 52 6.130 5.472 3.129 398 HA MET 52 HA MET 52 8.598 4.207 2.333 399 1HB MET 52 1HB MET 52 7.483 6.736 2.324 400 2HB MET 52 2HB MET 52 8.760 6.890 3.530 401 1HG MET 52 1HG MET 52 9.094 5.847 0.700 402 2HG MET 52 2HG MET 52 9.628 7.420 1.290 403 1HE MET 52 1HE MET 52 11.615 5.385 -0.170 404 2HE MET 52 2HE MET 52 10.510 4.118 0.356 405 3HE MET 52 3HE MET 52 12.208 4.045 0.820 406 H ARG 53 H ARG 53 7.611 5.787 5.411 407 HA ARG 53 HA ARG 53 10.011 5.236 6.852 408 1HB ARG 53 1HB ARG 53 7.857 6.678 7.345 409 2HB ARG 53 2HB ARG 53 7.279 5.201 8.115 410 1HG ARG 53 1HG ARG 53 10.048 5.956 8.813 411 2HG ARG 53 2HG ARG 53 8.815 7.088 9.368 412 1HD ARG 53 1HD ARG 53 8.654 4.091 9.837 413 2HD ARG 53 2HD ARG 53 9.308 5.240 11.022 414 HE ARG 53 HE ARG 53 6.548 5.559 9.891 415 1HH1 ARG 53 1HH2 ARG 53 8.199 4.321 12.533 416 2HH1 ARG 53 2HH2 ARG 53 7.323 5.217 13.728 417 1HH2 ARG 53 1HH1 ARG 53 5.663 7.194 11.414 418 2HH2 ARG 53 2HH1 ARG 53 5.886 6.841 13.096 419 H THR 54 H THR 54 7.327 3.217 5.929 420 HA THR 54 HA THR 54 8.092 1.045 7.803 421 HB THR 54 HB THR 54 5.845 1.615 5.862 422 HG1 THR 54 1HG THR 54 4.905 2.090 7.659 423 1HG2 THR 54 1HG2 THR 54 5.695 -0.592 5.434 424 2HG2 THR 54 2HG2 THR 54 5.187 -0.767 7.115 425 3HG2 THR 54 3HG2 THR 54 6.881 -0.990 6.677 426 H CYS 55 H CYS 55 7.834 1.662 4.302 427 HA CYS 55 HA CYS 55 9.322 -0.858 3.739 428 1HB CYS 55 1HB CYS 55 7.925 1.127 1.914 429 2HB CYS 55 2HB CYS 55 8.463 -0.494 1.477 430 H GLY 56 H GLY 56 10.447 1.856 4.748 431 1HA GLY 56 1HA GLY 56 11.953 3.009 2.587 432 2HA GLY 56 2HA GLY 56 12.302 3.222 4.302 433 H GLY 57 H GLY 57 13.796 2.297 1.633 434 1HA GLY 57 1HA GLY 57 15.510 0.355 3.091 435 2HA GLY 57 2HA GLY 57 14.916 -0.085 1.488 436 H ALA 58 H ALA 58 15.266 1.927 -0.126 437 HA ALA 58 HA ALA 58 18.027 2.171 -0.634 438 1HB ALA 58 1HB ALA 58 15.609 2.949 -1.770 439 2HB ALA 58 2HB ALA 58 17.206 3.257 -2.452 440 3HB ALA 58 3HB ALA 58 16.422 4.482 -1.457 Start of MODEL 22 1 1H ARG 1 1H ARG 1 14.345 -6.420 5.642 2 2H ARG 1 2H ARG 1 14.255 -5.321 6.935 3 3H ARG 1 3H ARG 1 15.069 -4.892 5.507 4 HA ARG 1 HA ARG 1 12.706 -3.969 5.869 5 1HB ARG 1 1HB ARG 1 14.351 -4.748 3.683 6 2HB ARG 1 2HB ARG 1 12.690 -5.137 3.236 7 1HG ARG 1 1HG ARG 1 12.337 -2.678 4.344 8 2HG ARG 1 2HG ARG 1 13.962 -2.500 3.678 9 1HD ARG 1 1HD ARG 1 11.596 -3.552 2.084 10 2HD ARG 1 2HD ARG 1 12.151 -1.867 2.042 11 HE ARG 1 HE ARG 1 13.569 -4.200 0.920 12 1HH1 ARG 1 1HH1 ARG 1 15.576 -2.754 2.571 13 2HH1 ARG 1 2HH1 ARG 1 16.187 -1.567 1.466 14 1HH2 ARG 1 1HH2 ARG 1 13.547 -1.889 -0.757 15 2HH2 ARG 1 2HH2 ARG 1 15.039 -1.078 -0.417 16 HA PRO 2 HA PRO 2 9.647 -7.098 6.425 17 1HB PRO 2 1HB PRO 2 7.456 -5.691 5.583 18 2HB PRO 2 2HB PRO 2 8.228 -5.432 7.156 19 1HG PRO 2 1HG PRO 2 8.501 -3.897 4.608 20 2HG PRO 2 2HG PRO 2 8.372 -3.293 6.267 21 1HD PRO 2 1HD PRO 2 10.725 -3.452 4.914 22 2HD PRO 2 2HD PRO 2 10.616 -3.632 6.680 23 H ASP 3 H ASP 3 8.132 -8.404 5.150 24 HA ASP 3 HA ASP 3 8.914 -8.524 2.296 25 1HB ASP 3 1HB ASP 3 8.969 -10.604 3.442 26 2HB ASP 3 2HB ASP 3 7.440 -10.286 4.262 27 H PHE 4 H PHE 4 6.191 -7.625 4.342 28 HA PHE 4 HA PHE 4 4.163 -7.783 2.289 29 1HB PHE 4 1HB PHE 4 2.817 -6.545 3.863 30 2HB PHE 4 2HB PHE 4 3.810 -7.674 4.776 31 HD1 PHE 4 1HD PHE 4 3.511 -4.088 3.745 32 HD2 PHE 4 2HD PHE 4 5.397 -6.930 6.369 33 HE1 PHE 4 1HE PHE 4 4.413 -2.242 5.110 34 HE2 PHE 4 2HE PHE 4 6.306 -5.063 7.725 35 HZ PHE 4 HZ PHE 4 5.806 -2.719 7.090 36 H CYS 5 H CYS 5 6.749 -5.591 2.807 37 HA CYS 5 HA CYS 5 5.501 -3.327 1.398 38 1HB CYS 5 1HB CYS 5 8.195 -4.032 2.557 39 2HB CYS 5 2HB CYS 5 8.014 -2.604 1.537 40 H LEU 6 H LEU 6 7.486 -6.116 0.675 41 HA LEU 6 HA LEU 6 8.345 -5.161 -1.960 42 1HB LEU 6 1HB LEU 6 8.368 -8.003 -0.940 43 2HB LEU 6 2HB LEU 6 9.519 -7.218 -2.021 44 HG LEU 6 HG LEU 6 9.185 -6.828 0.958 45 1HD1 LEU 6 1HD1 LEU 6 10.694 -8.614 0.236 46 2HD1 LEU 6 2HD1 LEU 6 11.627 -7.281 0.916 47 3HD1 LEU 6 3HD1 LEU 6 11.539 -7.495 -0.832 48 1HD2 LEU 6 1HD2 LEU 6 11.071 -5.066 0.521 49 2HD2 LEU 6 2HD2 LEU 6 9.391 -4.590 0.275 50 3HD2 LEU 6 3HD2 LEU 6 10.402 -5.008 -1.109 51 H GLU 7 H GLU 7 5.571 -6.764 -0.662 52 HA GLU 7 HA GLU 7 4.781 -8.066 -3.172 53 1HB GLU 7 1HB GLU 7 3.486 -7.553 -0.481 54 2HB GLU 7 2HB GLU 7 2.672 -8.429 -1.778 55 1HG GLU 7 1HG GLU 7 5.198 -9.608 -1.643 56 2HG GLU 7 2HG GLU 7 4.762 -9.339 0.045 57 HA PRO 8 HA PRO 8 2.553 -4.709 -4.903 58 1HB PRO 8 1HB PRO 8 0.377 -5.980 -5.980 59 2HB PRO 8 2HB PRO 8 2.007 -6.089 -6.675 60 1HG PRO 8 1HG PRO 8 0.531 -8.020 -4.942 61 2HG PRO 8 2HG PRO 8 1.586 -8.330 -6.329 62 1HD PRO 8 1HD PRO 8 2.364 -8.613 -3.719 63 2HD PRO 8 2HD PRO 8 3.487 -8.240 -5.046 64 HA PRO 9 HA PRO 9 -0.602 -3.374 -2.169 65 1HB PRO 9 1HB PRO 9 -2.324 -2.022 -3.824 66 2HB PRO 9 2HB PRO 9 -0.737 -1.393 -3.339 67 1HG PRO 9 1HG PRO 9 -1.575 -2.723 -5.873 68 2HG PRO 9 2HG PRO 9 -0.468 -1.363 -5.625 69 1HD PRO 9 1HD PRO 9 0.349 -3.931 -6.101 70 2HD PRO 9 2HD PRO 9 1.311 -2.743 -5.196 71 H TYR 10 H TYR 10 -3.125 -3.388 -1.890 72 HA TYR 10 HA TYR 10 -4.332 -5.790 -3.239 73 1HB TYR 10 1HB TYR 10 -3.296 -6.198 -0.946 74 2HB TYR 10 2HB TYR 10 -4.509 -5.097 -0.292 75 HD1 TYR 10 1HD TYR 10 -6.571 -5.959 0.379 76 HD2 TYR 10 2HD TYR 10 -4.232 -8.114 -2.506 77 HE1 TYR 10 1HE TYR 10 -8.232 -7.800 0.409 78 HE2 TYR 10 2HE TYR 10 -5.892 -9.957 -2.477 79 HH TYR 10 HH TYR 10 -8.644 -9.936 -1.801 80 H THR 11 H THR 11 -5.688 -4.449 -4.496 81 HA THR 11 HA THR 11 -7.280 -2.298 -3.447 82 HB THR 11 HB THR 11 -7.265 -4.088 -5.870 83 HG1 THR 11 1HG THR 11 -6.926 -2.068 -6.855 84 1HG2 THR 11 1HG2 THR 11 -9.162 -2.370 -6.618 85 2HG2 THR 11 2HG2 THR 11 -9.523 -2.393 -4.892 86 3HG2 THR 11 3HG2 THR 11 -9.566 -3.892 -5.823 87 H GLY 12 H GLY 12 -7.522 -5.761 -3.367 88 1HA GLY 12 1HA GLY 12 -9.147 -7.185 -2.426 89 2HA GLY 12 2HA GLY 12 -9.595 -5.805 -1.419 90 HA PRO 13 HA PRO 13 -12.863 -6.733 -4.664 91 1HB PRO 13 1HB PRO 13 -14.768 -7.833 -3.035 92 2HB PRO 13 2HB PRO 13 -13.526 -8.791 -3.859 93 1HG PRO 13 1HG PRO 13 -13.663 -7.880 -1.027 94 2HG PRO 13 2HG PRO 13 -13.068 -9.407 -1.693 95 1HD PRO 13 1HD PRO 13 -11.467 -7.314 -0.878 96 2HD PRO 13 2HD PRO 13 -10.978 -8.560 -2.048 97 H CYS 14 H CYS 14 -14.870 -6.472 -1.835 98 HA CYS 14 HA CYS 14 -16.361 -4.731 -1.230 99 1HB CYS 14 1HB CYS 14 -13.530 -3.840 -1.163 100 2HB CYS 14 2HB CYS 14 -14.737 -2.560 -1.029 101 H LYS 15 H LYS 15 -16.565 -2.093 -1.824 102 HA LYS 15 HA LYS 15 -16.570 -1.921 -4.818 103 1HB LYS 15 1HB LYS 15 -18.775 -2.582 -3.674 104 2HB LYS 15 2HB LYS 15 -18.789 -0.952 -3.000 105 1HG LYS 15 1HG LYS 15 -19.225 0.025 -5.031 106 2HG LYS 15 2HG LYS 15 -18.294 -1.177 -5.926 107 1HD LYS 15 1HD LYS 15 -20.067 -2.748 -5.874 108 2HD LYS 15 2HD LYS 15 -20.900 -1.890 -4.576 109 1HE LYS 15 1HE LYS 15 -21.846 -0.367 -6.028 110 2HE LYS 15 2HE LYS 15 -20.432 -0.364 -7.101 111 1HZ LYS 15 1HZ LYS 15 -22.706 -1.680 -7.633 112 2HZ LYS 15 2HZ LYS 15 -21.833 -2.900 -6.838 113 3HZ LYS 15 3HZ LYS 15 -21.191 -2.157 -8.226 114 H ALA 16 H ALA 16 -15.087 -0.684 -2.308 115 HA ALA 16 HA ALA 16 -15.692 2.185 -2.649 116 1HB ALA 16 1HB ALA 16 -14.056 0.419 -0.879 117 2HB ALA 16 2HB ALA 16 -15.178 1.707 -0.443 118 3HB ALA 16 3HB ALA 16 -13.560 2.105 -1.023 119 H ARG 17 H ARG 17 -13.667 3.642 -2.949 120 HA ARG 17 HA ARG 17 -11.580 2.449 -4.689 121 1HB ARG 17 1HB ARG 17 -13.948 3.646 -5.666 122 2HB ARG 17 2HB ARG 17 -12.670 4.833 -5.921 123 1HG ARG 17 1HG ARG 17 -11.953 3.643 -7.692 124 2HG ARG 17 2HG ARG 17 -11.604 2.287 -6.619 125 1HD ARG 17 1HD ARG 17 -13.204 1.197 -7.848 126 2HD ARG 17 2HD ARG 17 -14.359 2.143 -6.886 127 HE ARG 17 HE ARG 17 -13.639 2.631 -9.679 128 1HH1 ARG 17 1HH2 ARG 17 -16.227 3.181 -7.995 129 2HH1 ARG 17 2HH2 ARG 17 -16.315 4.903 -8.157 130 1HH2 ARG 17 1HH1 ARG 17 -13.071 5.222 -9.342 131 2HH2 ARG 17 2HH1 ARG 17 -14.528 6.059 -8.921 132 H ILE 18 H ILE 18 -10.566 3.232 -2.518 133 HA ILE 18 HA ILE 18 -10.121 6.176 -2.459 134 HB ILE 18 HB ILE 18 -9.384 3.920 -0.566 135 1HG1 ILE 18 1HG1 ILE 18 -11.592 6.004 -0.477 136 2HG1 ILE 18 2HG1 ILE 18 -11.814 4.280 -0.776 137 1HG2 ILE 18 1HG2 ILE 18 -8.062 5.436 0.448 138 2HG2 ILE 18 2HG2 ILE 18 -9.491 6.427 0.744 139 3HG2 ILE 18 3HG2 ILE 18 -8.533 6.674 -0.716 140 1HD1 ILE 18 1HD1 ILE 18 -10.884 3.774 1.452 141 2HD1 ILE 18 2HD1 ILE 18 -12.279 4.843 1.586 142 3HD1 ILE 18 3HD1 ILE 18 -10.649 5.496 1.748 143 H ILE 19 H ILE 19 -7.943 7.015 -2.455 144 HA ILE 19 HA ILE 19 -6.040 5.345 -4.012 145 HB ILE 19 HB ILE 19 -6.269 8.284 -3.308 146 1HG1 ILE 19 1HG1 ILE 19 -7.865 7.620 -4.981 147 2HG1 ILE 19 2HG1 ILE 19 -6.543 8.419 -5.833 148 1HG2 ILE 19 1HG2 ILE 19 -4.050 8.417 -3.705 149 2HG2 ILE 19 2HG2 ILE 19 -4.420 8.003 -5.378 150 3HG2 ILE 19 3HG2 ILE 19 -3.976 6.737 -4.235 151 1HD1 ILE 19 1HD1 ILE 19 -6.974 6.437 -7.080 152 2HD1 ILE 19 2HD1 ILE 19 -7.111 5.458 -5.619 153 3HD1 ILE 19 3HD1 ILE 19 -5.537 6.072 -6.126 154 H ARG 20 H ARG 20 -5.305 4.001 -2.207 155 HA ARG 20 HA ARG 20 -4.024 5.331 0.098 156 1HB ARG 20 1HB ARG 20 -4.752 2.561 -0.779 157 2HB ARG 20 2HB ARG 20 -3.509 2.744 0.460 158 1HG ARG 20 1HG ARG 20 -6.217 4.095 0.619 159 2HG ARG 20 2HG ARG 20 -5.883 2.521 1.343 160 1HD ARG 20 1HD ARG 20 -4.398 3.429 2.922 161 2HD ARG 20 2HD ARG 20 -4.081 4.869 1.935 162 HE ARG 20 HE ARG 20 -6.265 5.727 2.588 163 1HH1 ARG 20 1HH2 ARG 20 -4.879 3.527 4.708 164 2HH1 ARG 20 2HH2 ARG 20 -6.325 3.215 5.608 165 1HH2 ARG 20 1HH1 ARG 20 -8.379 4.966 3.432 166 2HH2 ARG 20 2HH1 ARG 20 -8.305 4.030 4.886 167 H TYR 21 H TYR 21 -1.747 4.271 0.664 168 HA TYR 21 HA TYR 21 -0.064 4.489 -1.807 169 1HB TYR 21 1HB TYR 21 0.276 5.256 1.088 170 2HB TYR 21 2HB TYR 21 1.679 5.081 0.034 171 HD1 TYR 21 1HD TYR 21 -1.332 7.042 0.763 172 HD2 TYR 21 2HD TYR 21 2.025 6.582 -1.875 173 HE1 TYR 21 1HE TYR 21 -1.738 9.314 -0.144 174 HE2 TYR 21 2HE TYR 21 1.618 8.855 -2.788 175 HH TYR 21 HH TYR 21 -0.816 10.990 -1.382 176 H PHE 22 H PHE 22 1.733 3.065 -2.007 177 HA PHE 22 HA PHE 22 2.061 0.883 -0.036 178 1HB PHE 22 1HB PHE 22 1.435 -0.839 -1.519 179 2HB PHE 22 2HB PHE 22 0.228 0.398 -1.816 180 HD1 PHE 22 1HD PHE 22 0.263 1.741 -3.874 181 HD2 PHE 22 2HD PHE 22 3.182 -1.327 -3.145 182 HE1 PHE 22 1HE PHE 22 0.932 1.809 -6.263 183 HE2 PHE 22 2HE PHE 22 3.853 -1.258 -5.532 184 HZ PHE 22 HZ PHE 22 2.728 0.310 -7.091 185 H TYR 23 H TYR 23 4.059 -0.316 -0.461 186 HA TYR 23 HA TYR 23 6.135 1.416 -1.657 187 1HB TYR 23 1HB TYR 23 6.371 0.307 0.542 188 2HB TYR 23 2HB TYR 23 6.249 -1.270 -0.241 189 HD1 TYR 23 1HD TYR 23 8.292 -2.347 -0.529 190 HD2 TYR 23 2HD TYR 23 8.134 1.932 -0.845 191 HE1 TYR 23 1HE TYR 23 10.723 -2.294 -1.013 192 HE2 TYR 23 2HE TYR 23 10.564 1.987 -1.328 193 HH TYR 23 HH TYR 23 12.378 -0.917 -1.957 194 H ASN 24 H ASN 24 6.470 1.206 -3.862 195 HA ASN 24 HA ASN 24 5.890 -1.331 -5.251 196 1HB ASN 24 1HB ASN 24 5.357 0.948 -6.150 197 2HB ASN 24 2HB ASN 24 7.085 1.287 -6.222 198 1HD2 ASN 24 1HD2 ASN 24 5.045 0.984 -8.470 199 2HD2 ASN 24 2HD2 ASN 24 5.699 -0.211 -9.485 200 H ALA 25 H ALA 25 7.608 -2.620 -4.132 201 HA ALA 25 HA ALA 25 10.328 -2.083 -3.956 202 1HB ALA 25 1HB ALA 25 9.319 -4.135 -3.149 203 2HB ALA 25 2HB ALA 25 10.562 -4.581 -4.317 204 3HB ALA 25 3HB ALA 25 8.862 -4.608 -4.784 205 H LYS 26 H LYS 26 8.440 -2.752 -6.835 206 HA LYS 26 HA LYS 26 10.675 -3.212 -8.622 207 1HB LYS 26 1HB LYS 26 8.007 -3.594 -8.698 208 2HB LYS 26 2HB LYS 26 8.090 -2.060 -9.565 209 1HG LYS 26 1HG LYS 26 9.962 -3.167 -10.956 210 2HG LYS 26 2HG LYS 26 9.395 -4.692 -10.271 211 1HD LYS 26 1HD LYS 26 7.227 -2.991 -11.291 212 2HD LYS 26 2HD LYS 26 8.373 -3.485 -12.538 213 1HE LYS 26 1HE LYS 26 7.712 -5.701 -10.752 214 2HE LYS 26 2HE LYS 26 6.272 -5.039 -11.549 215 1HZ LYS 26 1HZ LYS 26 7.202 -5.358 -13.642 216 2HZ LYS 26 2HZ LYS 26 7.708 -6.752 -12.813 217 3HZ LYS 26 3HZ LYS 26 8.787 -5.461 -13.046 218 H ALA 27 H ALA 27 9.015 -0.369 -7.382 219 HA ALA 27 HA ALA 27 10.381 1.409 -9.336 220 1HB ALA 27 1HB ALA 27 7.913 1.495 -8.490 221 2HB ALA 27 2HB ALA 27 8.807 3.011 -8.612 222 3HB ALA 27 3HB ALA 27 8.603 2.232 -7.043 223 H GLY 28 H GLY 28 10.560 0.403 -5.976 224 1HA GLY 28 1HA GLY 28 12.585 0.652 -4.674 225 2HA GLY 28 2HA GLY 28 13.037 2.019 -5.691 226 H LEU 29 H LEU 29 9.944 2.699 -5.237 227 HA LEU 29 HA LEU 29 10.288 3.904 -2.523 228 1HB LEU 29 1HB LEU 29 9.340 6.000 -3.526 229 2HB LEU 29 2HB LEU 29 10.888 5.546 -4.234 230 HG LEU 29 HG LEU 29 8.576 4.332 -5.586 231 1HD1 LEU 29 1HD1 LEU 29 7.911 6.437 -6.715 232 2HD1 LEU 29 2HD1 LEU 29 8.969 7.341 -5.632 233 3HD1 LEU 29 3HD1 LEU 29 7.563 6.494 -4.988 234 1HD2 LEU 29 1HD2 LEU 29 11.126 5.769 -6.280 235 2HD2 LEU 29 2HD2 LEU 29 9.901 5.515 -7.521 236 3HD2 LEU 29 3HD2 LEU 29 10.627 4.132 -6.701 237 H CYS 30 H CYS 30 7.689 5.347 -3.104 238 HA CYS 30 HA CYS 30 5.861 2.981 -2.852 239 1HB CYS 30 1HB CYS 30 5.935 5.667 -1.452 240 2HB CYS 30 2HB CYS 30 4.566 4.563 -1.339 241 H GLN 31 H GLN 31 3.727 3.263 -3.722 242 HA GLN 31 HA GLN 31 3.273 5.672 -5.425 243 1HB GLN 31 1HB GLN 31 3.108 2.758 -6.272 244 2HB GLN 31 2HB GLN 31 2.623 4.126 -7.275 245 1HG GLN 31 1HG GLN 31 5.105 4.939 -6.608 246 2HG GLN 31 2HG GLN 31 5.349 3.195 -6.515 247 1HE2 GLN 31 1HE2 GLN 31 6.773 3.572 -8.496 248 2HE2 GLN 31 2HE2 GLN 31 6.029 3.647 -10.020 249 H THR 32 H THR 32 0.939 5.877 -6.000 250 HA THR 32 HA THR 32 -0.771 4.988 -3.781 251 HB THR 32 HB THR 32 -2.423 6.384 -5.276 252 HG1 THR 32 1HG THR 32 -0.882 7.890 -6.472 253 1HG2 THR 32 1HG2 THR 32 -1.901 7.732 -3.545 254 2HG2 THR 32 2HG2 THR 32 -0.651 8.420 -4.583 255 3HG2 THR 32 3HG2 THR 32 -0.252 7.108 -3.473 256 H PHE 33 H PHE 33 -2.511 3.569 -3.956 257 HA PHE 33 HA PHE 33 -3.016 2.291 -6.609 258 1HB PHE 33 1HB PHE 33 -2.669 0.119 -5.721 259 2HB PHE 33 2HB PHE 33 -1.337 1.066 -5.072 260 HD1 PHE 33 1HD PHE 33 -1.400 1.868 -2.696 261 HD2 PHE 33 2HD PHE 33 -4.378 -0.786 -4.298 262 HE1 PHE 33 1HE PHE 33 -2.118 1.292 -0.400 263 HE2 PHE 33 2HE PHE 33 -5.093 -1.368 -1.994 264 HZ PHE 33 HZ PHE 33 -3.964 -0.330 -0.045 265 H VAL 34 H VAL 34 -5.102 1.099 -6.606 266 HA VAL 34 HA VAL 34 -7.185 2.614 -5.254 267 HB VAL 34 HB VAL 34 -7.379 -0.009 -6.763 268 1HG1 VAL 34 1HG1 VAL 34 -9.254 2.153 -5.925 269 2HG1 VAL 34 2HG1 VAL 34 -9.534 0.419 -6.075 270 3HG1 VAL 34 3HG1 VAL 34 -9.513 1.437 -7.515 271 1HG2 VAL 34 1HG2 VAL 34 -7.870 2.338 -8.372 272 2HG2 VAL 34 2HG2 VAL 34 -6.715 1.035 -8.648 273 3HG2 VAL 34 3HG2 VAL 34 -6.256 2.428 -7.669 274 H TYR 35 H TYR 35 -7.877 2.210 -3.190 275 HA TYR 35 HA TYR 35 -7.206 -0.410 -1.932 276 1HB TYR 35 1HB TYR 35 -6.490 1.665 -0.847 277 2HB TYR 35 2HB TYR 35 -8.141 2.280 -0.874 278 HD1 TYR 35 1HD TYR 35 -7.256 -1.247 -0.176 279 HD2 TYR 35 2HD TYR 35 -8.413 2.532 1.510 280 HE1 TYR 35 1HE TYR 35 -7.689 -2.351 2.002 281 HE2 TYR 35 2HE TYR 35 -8.847 1.427 3.688 282 HH TYR 35 HH TYR 35 -9.355 -1.643 4.121 283 H GLY 36 H GLY 36 -8.859 -1.716 -0.994 284 1HA GLY 36 1HA GLY 36 -11.569 -1.245 -2.079 285 2HA GLY 36 2HA GLY 36 -10.996 -2.741 -1.340 286 H ALA 37 H ALA 37 -9.939 -0.447 0.735 287 HA ALA 37 HA ALA 37 -10.795 0.510 2.735 288 1HB ALA 37 1HB ALA 37 -12.938 1.319 2.591 289 2HB ALA 37 2HB ALA 37 -13.591 -0.227 2.048 290 3HB ALA 37 3HB ALA 37 -12.767 0.833 0.904 291 H CYS 38 H CYS 38 -11.068 -2.696 1.794 292 HA CYS 38 HA CYS 38 -11.573 -3.524 4.610 293 1HB CYS 38 1HB CYS 38 -13.233 -5.179 3.817 294 2HB CYS 38 2HB CYS 38 -13.737 -3.541 3.408 295 H ARG 39 H ARG 39 -11.124 -5.992 4.779 296 HA ARG 39 HA ARG 39 -9.395 -7.618 4.629 297 1HB ARG 39 1HB ARG 39 -10.595 -7.096 1.934 298 2HB ARG 39 2HB ARG 39 -9.220 -8.198 2.029 299 1HG ARG 39 1HG ARG 39 -10.397 -9.580 3.662 300 2HG ARG 39 2HG ARG 39 -11.742 -8.440 3.700 301 1HD ARG 39 1HD ARG 39 -12.546 -9.127 1.633 302 2HD ARG 39 2HD ARG 39 -10.932 -9.571 1.041 303 HE ARG 39 HE ARG 39 -12.603 -11.197 2.911 304 1HH1 ARG 39 1HH1 ARG 39 -11.844 -12.278 0.245 305 2HH1 ARG 39 2HH1 ARG 39 -10.463 -13.254 0.617 306 1HH2 ARG 39 1HH2 ARG 39 -9.920 -11.784 3.710 307 2HH2 ARG 39 2HH2 ARG 39 -9.374 -12.975 2.576 308 H ALA 40 H ALA 40 -8.541 -4.723 4.498 309 HA ALA 40 HA ALA 40 -6.481 -4.348 2.551 310 1HB ALA 40 1HB ALA 40 -6.510 -2.339 3.587 311 2HB ALA 40 2HB ALA 40 -5.951 -3.066 5.094 312 3HB ALA 40 3HB ALA 40 -7.676 -3.007 4.730 313 H LYS 41 H LYS 41 -4.120 -4.301 3.033 314 HA LYS 41 HA LYS 41 -3.292 -6.394 5.017 315 1HB LYS 41 1HB LYS 41 -2.027 -5.868 2.316 316 2HB LYS 41 2HB LYS 41 -1.813 -7.280 3.351 317 1HG LYS 41 1HG LYS 41 -4.330 -7.681 3.059 318 2HG LYS 41 2HG LYS 41 -4.266 -6.482 1.767 319 1HD LYS 41 1HD LYS 41 -2.981 -7.840 0.390 320 2HD LYS 41 2HD LYS 41 -2.261 -8.710 1.748 321 1HE LYS 41 1HE LYS 41 -5.188 -9.046 1.537 322 2HE LYS 41 2HE LYS 41 -4.277 -9.714 0.168 323 1HZ LYS 41 1HZ LYS 41 -4.311 -11.356 1.882 324 2HZ LYS 41 2HZ LYS 41 -3.847 -10.230 3.067 325 3HZ LYS 41 3HZ LYS 41 -2.747 -10.702 1.861 326 H ARG 42 H ARG 42 -0.581 -6.127 4.908 327 HA ARG 42 HA ARG 42 -0.097 -3.607 6.245 328 1HB ARG 42 1HB ARG 42 2.038 -5.390 5.075 329 2HB ARG 42 2HB ARG 42 2.065 -4.488 6.587 330 1HG ARG 42 1HG ARG 42 -0.069 -6.105 7.039 331 2HG ARG 42 2HG ARG 42 0.896 -7.148 5.993 332 1HD ARG 42 1HD ARG 42 2.769 -6.056 7.760 333 2HD ARG 42 2HD ARG 42 1.357 -6.403 8.779 334 HE ARG 42 HE ARG 42 1.662 -8.618 7.063 335 1HH1 ARG 42 1HH2 ARG 42 4.418 -7.237 8.174 336 2HH1 ARG 42 2HH2 ARG 42 4.874 -8.509 9.256 337 1HH2 ARG 42 1HH1 ARG 42 1.832 -10.156 9.024 338 2HH2 ARG 42 2HH1 ARG 42 3.410 -10.163 9.737 339 H ASN 43 H ASN 43 -0.010 -4.607 2.931 340 HA ASN 43 HA ASN 43 1.756 -2.400 2.067 341 1HB ASN 43 1HB ASN 43 1.463 -4.847 1.139 342 2HB ASN 43 2HB ASN 43 0.080 -4.158 0.285 343 1HD2 ASN 43 1HD2 ASN 43 3.610 -3.639 0.787 344 2HD2 ASN 43 2HD2 ASN 43 3.872 -2.924 -0.731 345 H ASN 44 H ASN 44 -0.007 -0.940 3.216 346 HA ASN 44 HA ASN 44 -1.585 0.351 1.124 347 1HB ASN 44 1HB ASN 44 -3.004 -1.578 1.619 348 2HB ASN 44 2HB ASN 44 -2.888 -1.262 3.348 349 1HD2 ASN 44 1HD2 ASN 44 -5.440 -1.373 2.301 350 2HD2 ASN 44 2HD2 ASN 44 -6.124 0.190 2.210 351 H PHE 45 H PHE 45 -0.125 2.050 2.048 352 HA PHE 45 HA PHE 45 -0.744 2.920 4.821 353 1HB PHE 45 1HB PHE 45 1.214 4.086 2.825 354 2HB PHE 45 2HB PHE 45 1.267 4.203 4.584 355 HD1 PHE 45 1HD PHE 45 1.927 2.071 1.667 356 HD2 PHE 45 2HD PHE 45 1.905 2.251 5.961 357 HE1 PHE 45 1HE PHE 45 3.275 -0.010 1.762 358 HE2 PHE 45 2HE PHE 45 3.252 0.168 6.055 359 HZ PHE 45 HZ PHE 45 3.939 -0.967 3.955 360 H LYS 46 H LYS 46 -1.589 5.006 5.265 361 HA LYS 46 HA LYS 46 -3.451 6.099 3.347 362 1HB LYS 46 1HB LYS 46 -2.334 7.414 5.838 363 2HB LYS 46 2HB LYS 46 -3.936 7.631 5.131 364 1HG LYS 46 1HG LYS 46 -4.017 4.975 5.514 365 2HG LYS 46 2HG LYS 46 -2.876 5.391 6.792 366 1HD LYS 46 1HD LYS 46 -4.980 7.312 6.864 367 2HD LYS 46 2HD LYS 46 -5.727 5.716 6.771 368 1HE LYS 46 1HE LYS 46 -5.396 6.043 9.102 369 2HE LYS 46 2HE LYS 46 -3.987 5.072 8.628 370 1HZ LYS 46 1HZ LYS 46 -3.255 7.003 9.856 371 2HZ LYS 46 2HZ LYS 46 -4.131 8.041 8.835 372 3HZ LYS 46 3HZ LYS 46 -2.794 7.184 8.233 373 H SER 47 H SER 47 -0.130 6.825 4.231 374 HA SER 47 HA SER 47 -0.073 8.906 2.081 375 1HB SER 47 1HB SER 47 1.237 10.331 3.577 376 2HB SER 47 2HB SER 47 -0.277 9.901 4.365 377 HG SER 47 HG SER 47 2.079 9.541 5.338 378 H ALA 48 H ALA 48 2.105 9.210 1.189 379 HA ALA 48 HA ALA 48 3.568 6.748 0.842 380 1HB ALA 48 1HB ALA 48 4.007 8.050 -0.961 381 2HB ALA 48 2HB ALA 48 5.191 8.879 0.050 382 3HB ALA 48 3HB ALA 48 3.554 9.517 -0.094 383 H GLU 49 H GLU 49 3.752 9.317 3.172 384 HA GLU 49 HA GLU 49 6.507 9.092 3.947 385 1HB GLU 49 1HB GLU 49 4.587 10.816 4.475 386 2HB GLU 49 2HB GLU 49 4.259 9.747 5.839 387 1HG GLU 49 1HG GLU 49 6.228 10.283 6.899 388 2HG GLU 49 2HG GLU 49 7.103 10.506 5.385 389 H ASP 50 H ASP 50 3.546 7.475 5.100 390 HA ASP 50 HA ASP 50 4.867 5.939 7.170 391 1HB ASP 50 1HB ASP 50 2.237 5.841 5.685 392 2HB ASP 50 2HB ASP 50 2.650 4.610 6.878 393 H CYS 51 H CYS 51 3.938 5.340 3.797 394 HA CYS 51 HA CYS 51 4.715 2.575 3.665 395 1HB CYS 51 1HB CYS 51 3.280 3.652 2.015 396 2HB CYS 51 2HB CYS 51 4.547 4.813 1.617 397 H MET 52 H MET 52 6.416 5.618 2.916 398 HA MET 52 HA MET 52 8.875 4.417 2.030 399 1HB MET 52 1HB MET 52 7.795 6.845 1.897 400 2HB MET 52 2HB MET 52 8.753 7.100 3.356 401 1HG MET 52 1HG MET 52 9.830 6.074 0.712 402 2HG MET 52 2HG MET 52 10.013 7.722 1.312 403 1HE MET 52 1HE MET 52 12.934 5.875 0.761 404 2HE MET 52 2HE MET 52 11.456 4.953 0.492 405 3HE MET 52 3HE MET 52 12.651 4.369 1.647 406 H ARG 53 H ARG 53 8.260 6.183 5.104 407 HA ARG 53 HA ARG 53 10.653 5.439 6.398 408 1HB ARG 53 1HB ARG 53 9.553 6.232 8.363 409 2HB ARG 53 2HB ARG 53 8.840 7.134 7.028 410 1HG ARG 53 1HG ARG 53 6.806 6.363 7.598 411 2HG ARG 53 2HG ARG 53 7.357 4.708 7.345 412 1HD ARG 53 1HD ARG 53 6.915 4.518 9.601 413 2HD ARG 53 2HD ARG 53 8.510 5.277 9.768 414 HE ARG 53 HE ARG 53 6.277 7.157 9.380 415 1HH1 ARG 53 1HH2 ARG 53 6.611 5.138 11.913 416 2HH1 ARG 53 2HH2 ARG 53 7.071 6.324 13.089 417 1HH2 ARG 53 1HH1 ARG 53 7.594 8.828 10.748 418 2HH2 ARG 53 2HH1 ARG 53 7.629 8.413 12.429 419 H THR 54 H THR 54 7.860 3.494 5.702 420 HA THR 54 HA THR 54 8.601 1.454 7.736 421 HB THR 54 HB THR 54 6.335 1.735 5.734 422 HG1 THR 54 1HG THR 54 5.403 1.679 8.113 423 1HG2 THR 54 1HG2 THR 54 7.016 -0.649 6.254 424 2HG2 THR 54 2HG2 THR 54 5.360 -0.234 6.697 425 3HG2 THR 54 3HG2 THR 54 6.611 -0.319 7.938 426 H CYS 55 H CYS 55 7.935 1.524 4.214 427 HA CYS 55 HA CYS 55 9.367 -1.021 3.828 428 1HB CYS 55 1HB CYS 55 8.183 0.951 1.845 429 2HB CYS 55 2HB CYS 55 8.548 -0.748 1.549 430 H GLY 56 H GLY 56 10.367 2.119 4.239 431 1HA GLY 56 1HA GLY 56 12.200 2.568 2.110 432 2HA GLY 56 2HA GLY 56 12.342 3.266 3.723 433 H GLY 57 H GLY 57 14.718 2.805 2.990 434 1HA GLY 57 1HA GLY 57 16.444 1.532 4.246 435 2HA GLY 57 2HA GLY 57 15.453 0.091 4.012 436 H ALA 58 H ALA 58 15.098 1.624 1.181 437 HA ALA 58 HA ALA 58 16.980 -0.114 -0.212 438 1HB ALA 58 1HB ALA 58 15.735 2.058 -1.731 439 2HB ALA 58 2HB ALA 58 14.575 1.195 -0.722 440 3HB ALA 58 3HB ALA 58 15.536 0.316 -1.911 Start of MODEL 23 1 1H ARG 1 1H ARG 1 14.372 -6.065 6.221 2 2H ARG 1 2H ARG 1 15.112 -4.787 5.380 3 3H ARG 1 3H ARG 1 14.747 -6.238 4.575 4 HA ARG 1 HA ARG 1 12.840 -4.190 5.573 5 1HB ARG 1 1HB ARG 1 14.158 -4.928 3.086 6 2HB ARG 1 2HB ARG 1 12.403 -4.979 2.912 7 1HG ARG 1 1HG ARG 1 12.359 -2.682 4.020 8 2HG ARG 1 2HG ARG 1 14.111 -2.649 3.817 9 1HD ARG 1 1HD ARG 1 12.062 -2.948 1.585 10 2HD ARG 1 2HD ARG 1 13.063 -1.520 1.906 11 HE ARG 1 HE ARG 1 13.945 -3.840 0.489 12 1HH1 ARG 1 1HH2 ARG 1 14.920 -1.217 2.433 13 2HH1 ARG 1 2HH2 ARG 1 16.594 -1.661 2.458 14 1HH2 ARG 1 1HH1 ARG 1 16.098 -4.651 0.773 15 2HH2 ARG 1 2HH1 ARG 1 17.261 -3.605 1.519 16 HA PRO 2 HA PRO 2 9.886 -7.400 6.134 17 1HB PRO 2 1HB PRO 2 7.608 -6.059 5.467 18 2HB PRO 2 2HB PRO 2 8.479 -5.790 6.987 19 1HG PRO 2 1HG PRO 2 8.471 -4.191 4.470 20 2HG PRO 2 2HG PRO 2 8.510 -3.641 6.151 21 1HD PRO 2 1HD PRO 2 10.701 -3.741 4.505 22 2HD PRO 2 2HD PRO 2 10.788 -3.842 6.277 23 H ASP 3 H ASP 3 8.183 -8.638 4.942 24 HA ASP 3 HA ASP 3 8.854 -8.784 2.055 25 1HB ASP 3 1HB ASP 3 8.585 -10.662 3.987 26 2HB ASP 3 2HB ASP 3 6.935 -10.648 3.363 27 H PHE 4 H PHE 4 6.286 -7.749 4.199 28 HA PHE 4 HA PHE 4 4.105 -7.956 2.312 29 1HB PHE 4 1HB PHE 4 2.935 -6.532 3.883 30 2HB PHE 4 2HB PHE 4 3.930 -7.656 4.801 31 HD1 PHE 4 1HD PHE 4 5.445 -6.868 6.383 32 HD2 PHE 4 2HD PHE 4 3.976 -4.170 3.371 33 HE1 PHE 4 1HE PHE 4 6.566 -4.975 7.523 34 HE2 PHE 4 2HE PHE 4 5.106 -2.294 4.510 35 HZ PHE 4 HZ PHE 4 6.394 -2.688 6.583 36 H CYS 5 H CYS 5 6.763 -5.755 2.610 37 HA CYS 5 HA CYS 5 5.506 -3.601 1.050 38 1HB CYS 5 1HB CYS 5 7.977 -4.156 2.551 39 2HB CYS 5 2HB CYS 5 8.233 -3.175 1.107 40 H LEU 6 H LEU 6 7.353 -6.490 0.474 41 HA LEU 6 HA LEU 6 8.273 -5.715 -2.205 42 1HB LEU 6 1HB LEU 6 8.142 -8.463 -0.934 43 2HB LEU 6 2HB LEU 6 9.264 -7.902 -2.173 44 HG LEU 6 HG LEU 6 9.129 -6.950 0.705 45 1HD1 LEU 6 1HD1 LEU 6 11.635 -8.010 -0.424 46 2HD1 LEU 6 2HD1 LEU 6 10.335 -9.198 -0.311 47 3HD1 LEU 6 3HD1 LEU 6 10.874 -8.338 1.132 48 1HD2 LEU 6 1HD2 LEU 6 9.761 -5.032 -0.506 49 2HD2 LEU 6 2HD2 LEU 6 10.640 -5.972 -1.713 50 3HD2 LEU 6 3HD2 LEU 6 11.311 -5.766 -0.095 51 H GLU 7 H GLU 7 5.422 -7.045 -0.799 52 HA GLU 7 HA GLU 7 4.508 -8.440 -3.223 53 1HB GLU 7 1HB GLU 7 3.948 -8.361 -0.435 54 2HB GLU 7 2HB GLU 7 2.463 -7.898 -1.266 55 1HG GLU 7 1HG GLU 7 2.172 -10.157 -1.445 56 2HG GLU 7 2HG GLU 7 3.274 -9.991 -2.812 57 HA PRO 8 HA PRO 8 2.403 -5.028 -5.021 58 1HB PRO 8 1HB PRO 8 0.183 -6.256 -6.063 59 2HB PRO 8 2HB PRO 8 1.805 -6.425 -6.763 60 1HG PRO 8 1HG PRO 8 0.278 -8.285 -5.003 61 2HG PRO 8 2HG PRO 8 1.337 -8.645 -6.376 62 1HD PRO 8 1HD PRO 8 2.078 -8.893 -3.745 63 2HD PRO 8 2HD PRO 8 3.221 -8.603 -5.074 64 HA PRO 9 HA PRO 9 -0.645 -3.571 -2.229 65 1HB PRO 9 1HB PRO 9 -2.241 -2.032 -3.848 66 2HB PRO 9 2HB PRO 9 -0.621 -1.542 -3.315 67 1HG PRO 9 1HG PRO 9 -1.517 -2.686 -5.916 68 2HG PRO 9 2HG PRO 9 -0.300 -1.441 -5.587 69 1HD PRO 9 1HD PRO 9 0.288 -4.056 -6.171 70 2HD PRO 9 2HD PRO 9 1.347 -2.986 -5.226 71 H TYR 10 H TYR 10 -2.935 -3.764 -1.629 72 HA TYR 10 HA TYR 10 -4.368 -5.929 -3.154 73 1HB TYR 10 1HB TYR 10 -3.354 -6.277 -0.797 74 2HB TYR 10 2HB TYR 10 -4.655 -5.230 -0.229 75 HD1 TYR 10 1HD TYR 10 -6.589 -6.283 0.496 76 HD2 TYR 10 2HD TYR 10 -4.223 -8.146 -2.568 77 HE1 TYR 10 1HE TYR 10 -8.155 -8.206 0.455 78 HE2 TYR 10 2HE TYR 10 -5.790 -10.069 -2.608 79 HH TYR 10 HH TYR 10 -8.004 -10.682 -0.205 80 H THR 11 H THR 11 -5.644 -4.534 -4.439 81 HA THR 11 HA THR 11 -7.111 -2.270 -3.479 82 HB THR 11 HB THR 11 -7.253 -4.196 -5.795 83 HG1 THR 11 1HG THR 11 -5.894 -2.639 -6.269 84 1HG2 THR 11 1HG2 THR 11 -9.095 -2.663 -6.705 85 2HG2 THR 11 2HG2 THR 11 -9.320 -2.124 -5.041 86 3HG2 THR 11 3HG2 THR 11 -9.579 -3.817 -5.462 87 H GLY 12 H GLY 12 -7.541 -5.708 -3.212 88 1HA GLY 12 1HA GLY 12 -9.191 -6.989 -2.122 89 2HA GLY 12 2HA GLY 12 -9.595 -5.518 -1.234 90 HA PRO 13 HA PRO 13 -12.891 -6.639 -4.408 91 1HB PRO 13 1HB PRO 13 -14.820 -7.540 -2.686 92 2HB PRO 13 2HB PRO 13 -13.615 -8.603 -3.442 93 1HG PRO 13 1HG PRO 13 -13.695 -7.455 -0.693 94 2HG PRO 13 2HG PRO 13 -13.171 -9.058 -1.230 95 1HD PRO 13 1HD PRO 13 -11.468 -6.995 -0.598 96 2HD PRO 13 2HD PRO 13 -11.054 -8.327 -1.699 97 H CYS 14 H CYS 14 -14.772 -6.083 -1.515 98 HA CYS 14 HA CYS 14 -16.229 -4.281 -1.012 99 1HB CYS 14 1HB CYS 14 -13.423 -3.350 -1.305 100 2HB CYS 14 2HB CYS 14 -14.648 -2.082 -1.248 101 H LYS 15 H LYS 15 -16.533 -1.752 -1.961 102 HA LYS 15 HA LYS 15 -16.762 -2.008 -4.939 103 1HB LYS 15 1HB LYS 15 -18.808 -2.035 -2.928 104 2HB LYS 15 2HB LYS 15 -18.980 -0.561 -3.882 105 1HG LYS 15 1HG LYS 15 -19.503 -1.710 -5.797 106 2HG LYS 15 2HG LYS 15 -18.434 -3.056 -5.403 107 1HD LYS 15 1HD LYS 15 -20.027 -4.045 -3.962 108 2HD LYS 15 2HD LYS 15 -20.960 -2.553 -3.829 109 1HE LYS 15 1HE LYS 15 -20.893 -3.161 -6.589 110 2HE LYS 15 2HE LYS 15 -21.243 -4.691 -5.760 111 1HZ LYS 15 1HZ LYS 15 -22.912 -3.501 -4.435 112 2HZ LYS 15 2HZ LYS 15 -23.275 -3.427 -6.093 113 3HZ LYS 15 3HZ LYS 15 -22.602 -2.080 -5.306 114 H ALA 16 H ALA 16 -15.328 -0.322 -2.564 115 HA ALA 16 HA ALA 16 -15.907 2.392 -3.649 116 1HB ALA 16 1HB ALA 16 -14.188 1.501 -1.310 117 2HB ALA 16 2HB ALA 16 -15.911 1.857 -1.184 118 3HB ALA 16 3HB ALA 16 -14.777 3.134 -1.625 119 H ARG 17 H ARG 17 -13.636 3.747 -3.548 120 HA ARG 17 HA ARG 17 -11.408 2.147 -4.674 121 1HB ARG 17 1HB ARG 17 -11.428 3.505 -6.749 122 2HB ARG 17 2HB ARG 17 -12.937 2.614 -6.552 123 1HG ARG 17 1HG ARG 17 -13.568 4.898 -5.235 124 2HG ARG 17 2HG ARG 17 -12.427 5.537 -6.419 125 1HD ARG 17 1HD ARG 17 -14.095 3.720 -7.826 126 2HD ARG 17 2HD ARG 17 -15.166 4.726 -6.829 127 HE ARG 17 HE ARG 17 -13.934 6.712 -7.815 128 1HH1 ARG 17 1HH2 ARG 17 -12.119 4.377 -9.092 129 2HH1 ARG 17 2HH2 ARG 17 -12.486 4.669 -10.760 130 1HH2 ARG 17 1HH1 ARG 17 -15.153 6.777 -10.078 131 2HH2 ARG 17 2HH1 ARG 17 -14.204 6.027 -11.318 132 H ILE 18 H ILE 18 -10.408 3.020 -2.667 133 HA ILE 18 HA ILE 18 -9.904 5.953 -2.645 134 HB ILE 18 HB ILE 18 -9.222 3.715 -0.706 135 1HG1 ILE 18 1HG1 ILE 18 -11.446 5.781 -0.698 136 2HG1 ILE 18 2HG1 ILE 18 -11.648 4.051 -0.974 137 1HG2 ILE 18 1HG2 ILE 18 -7.731 5.444 -0.175 138 2HG2 ILE 18 2HG2 ILE 18 -9.117 5.824 0.847 139 3HG2 ILE 18 3HG2 ILE 18 -8.867 6.703 -0.661 140 1HD1 ILE 18 1HD1 ILE 18 -10.635 3.653 1.299 141 2HD1 ILE 18 2HD1 ILE 18 -12.176 4.509 1.347 142 3HD1 ILE 18 3HD1 ILE 18 -10.667 5.397 1.560 143 H ILE 19 H ILE 19 -7.651 6.715 -2.478 144 HA ILE 19 HA ILE 19 -5.760 4.936 -3.959 145 HB ILE 19 HB ILE 19 -6.133 7.908 -3.597 146 1HG1 ILE 19 1HG1 ILE 19 -7.338 6.748 -5.416 147 2HG1 ILE 19 2HG1 ILE 19 -6.114 7.839 -6.069 148 1HG2 ILE 19 1HG2 ILE 19 -3.875 8.134 -3.563 149 2HG2 ILE 19 2HG2 ILE 19 -3.939 7.647 -5.257 150 3HG2 ILE 19 3HG2 ILE 19 -3.617 6.446 -4.006 151 1HD1 ILE 19 1HD1 ILE 19 -5.135 6.108 -7.126 152 2HD1 ILE 19 2HD1 ILE 19 -6.369 5.023 -6.484 153 3HD1 ILE 19 3HD1 ILE 19 -4.882 5.302 -5.578 154 H ARG 20 H ARG 20 -5.040 3.738 -2.064 155 HA ARG 20 HA ARG 20 -3.830 5.239 0.174 156 1HB ARG 20 1HB ARG 20 -4.256 2.325 -0.526 157 2HB ARG 20 2HB ARG 20 -3.384 2.828 0.922 158 1HG ARG 20 1HG ARG 20 -6.171 3.803 0.244 159 2HG ARG 20 2HG ARG 20 -5.867 2.390 1.255 160 1HD ARG 20 1HD ARG 20 -4.937 3.679 2.986 161 2HD ARG 20 2HD ARG 20 -4.518 5.014 1.895 162 HE ARG 20 HE ARG 20 -6.988 5.459 1.719 163 1HH1 ARG 20 1HH1 ARG 20 -5.543 4.752 4.633 164 2HH1 ARG 20 2HH1 ARG 20 -7.007 4.419 5.496 165 1HH2 ARG 20 1HH2 ARG 20 -9.002 4.470 2.660 166 2HH2 ARG 20 2HH2 ARG 20 -8.967 4.262 4.379 167 H TYR 21 H TYR 21 -1.557 4.156 0.848 168 HA TYR 21 HA TYR 21 0.187 4.346 -1.581 169 1HB TYR 21 1HB TYR 21 0.500 5.038 1.343 170 2HB TYR 21 2HB TYR 21 1.899 4.917 0.277 171 HD1 TYR 21 1HD TYR 21 -1.185 6.782 1.029 172 HD2 TYR 21 2HD TYR 21 2.260 6.520 -1.524 173 HE1 TYR 21 1HE TYR 21 -1.635 9.071 0.189 174 HE2 TYR 21 2HE TYR 21 1.810 8.809 -2.366 175 HH TYR 21 HH TYR 21 -0.711 10.284 -2.416 176 H PHE 22 H PHE 22 1.984 2.888 -1.734 177 HA PHE 22 HA PHE 22 2.201 0.669 0.208 178 1HB PHE 22 1HB PHE 22 1.522 -1.015 -1.289 179 2HB PHE 22 2HB PHE 22 0.376 0.273 -1.615 180 HD1 PHE 22 1HD PHE 22 3.327 -1.536 -2.854 181 HD2 PHE 22 2HD PHE 22 0.484 1.578 -3.683 182 HE1 PHE 22 1HE PHE 22 4.069 -1.491 -5.220 183 HE2 PHE 22 2HE PHE 22 1.223 1.626 -6.050 184 HZ PHE 22 HZ PHE 22 3.022 0.090 -6.817 185 H TYR 23 H TYR 23 4.147 -0.661 -0.292 186 HA TYR 23 HA TYR 23 6.281 1.040 -1.471 187 1HB TYR 23 1HB TYR 23 6.501 -0.016 0.763 188 2HB TYR 23 2HB TYR 23 6.357 -1.609 0.012 189 HD1 TYR 23 1HD TYR 23 8.294 -2.703 -0.712 190 HD2 TYR 23 2HD TYR 23 8.347 1.569 -0.254 191 HE1 TYR 23 1HE TYR 23 10.709 -2.674 -1.271 192 HE2 TYR 23 2HE TYR 23 10.764 1.599 -0.815 193 HH TYR 23 HH TYR 23 12.333 -0.140 -2.266 194 H ASN 24 H ASN 24 6.677 0.750 -3.650 195 HA ASN 24 HA ASN 24 6.068 -1.837 -4.966 196 1HB ASN 24 1HB ASN 24 5.558 0.528 -5.835 197 2HB ASN 24 2HB ASN 24 7.289 0.671 -6.140 198 1HD2 ASN 24 1HD2 ASN 24 6.072 0.836 -8.459 199 2HD2 ASN 24 2HD2 ASN 24 5.995 -0.630 -9.311 200 H ALA 25 H ALA 25 7.749 -3.282 -4.299 201 HA ALA 25 HA ALA 25 10.471 -2.705 -3.898 202 1HB ALA 25 1HB ALA 25 10.646 -5.189 -4.776 203 2HB ALA 25 2HB ALA 25 8.885 -5.089 -4.814 204 3HB ALA 25 3HB ALA 25 9.751 -4.846 -3.297 205 H LYS 26 H LYS 26 8.680 -2.772 -6.870 206 HA LYS 26 HA LYS 26 11.076 -3.069 -8.566 207 1HB LYS 26 1HB LYS 26 8.165 -2.430 -9.146 208 2HB LYS 26 2HB LYS 26 9.381 -2.802 -10.368 209 1HG LYS 26 1HG LYS 26 9.551 -4.862 -8.438 210 2HG LYS 26 2HG LYS 26 7.831 -4.618 -8.741 211 1HD LYS 26 1HD LYS 26 9.094 -4.488 -11.265 212 2HD LYS 26 2HD LYS 26 9.814 -5.867 -10.433 213 1HE LYS 26 1HE LYS 26 7.010 -5.932 -9.899 214 2HE LYS 26 2HE LYS 26 7.217 -5.692 -11.645 215 1HZ LYS 26 1HZ LYS 26 8.687 -7.697 -10.004 216 2HZ LYS 26 2HZ LYS 26 8.781 -7.512 -11.691 217 3HZ LYS 26 3HZ LYS 26 7.341 -8.058 -10.972 218 H ALA 27 H ALA 27 9.257 -0.522 -7.061 219 HA ALA 27 HA ALA 27 10.338 1.542 -8.915 220 1HB ALA 27 1HB ALA 27 8.699 2.145 -6.486 221 2HB ALA 27 2HB ALA 27 7.928 1.253 -7.797 222 3HB ALA 27 3HB ALA 27 8.607 2.851 -8.101 223 H GLY 28 H GLY 28 10.717 0.331 -5.619 224 1HA GLY 28 1HA GLY 28 12.735 0.617 -4.337 225 2HA GLY 28 2HA GLY 28 13.154 1.994 -5.356 226 H LEU 29 H LEU 29 10.010 2.523 -4.742 227 HA LEU 29 HA LEU 29 10.389 3.703 -2.038 228 1HB LEU 29 1HB LEU 29 9.571 5.874 -2.914 229 2HB LEU 29 2HB LEU 29 11.059 5.384 -3.722 230 HG LEU 29 HG LEU 29 8.656 4.352 -5.047 231 1HD1 LEU 29 1HD1 LEU 29 8.850 7.222 -4.318 232 2HD1 LEU 29 2HD1 LEU 29 7.434 6.261 -4.739 233 3HD1 LEU 29 3HD1 LEU 29 8.482 6.888 -6.011 234 1HD2 LEU 29 1HD2 LEU 29 11.074 4.470 -5.882 235 2HD2 LEU 29 2HD2 LEU 29 10.814 6.201 -6.091 236 3HD2 LEU 29 3HD2 LEU 29 9.846 5.047 -7.005 237 H CYS 30 H CYS 30 7.855 5.248 -2.567 238 HA CYS 30 HA CYS 30 5.943 2.936 -2.457 239 1HB CYS 30 1HB CYS 30 6.121 5.535 -0.921 240 2HB CYS 30 2HB CYS 30 4.690 4.507 -0.885 241 H GLN 31 H GLN 31 3.888 3.266 -3.414 242 HA GLN 31 HA GLN 31 3.494 5.797 -4.950 243 1HB GLN 31 1HB GLN 31 3.260 2.955 -5.993 244 2HB GLN 31 2HB GLN 31 2.932 4.419 -6.923 245 1HG GLN 31 1HG GLN 31 5.378 5.072 -6.136 246 2HG GLN 31 2HG GLN 31 5.553 3.329 -5.946 247 1HE2 GLN 31 1HE2 GLN 31 7.131 4.492 -7.898 248 2HE2 GLN 31 2HE2 GLN 31 6.532 4.129 -9.444 249 H THR 32 H THR 32 1.103 5.567 -5.986 250 HA THR 32 HA THR 32 -0.645 4.851 -3.688 251 HB THR 32 HB THR 32 -2.255 6.182 -5.333 252 HG1 THR 32 1HG THR 32 -1.256 7.207 -6.883 253 1HG2 THR 32 1HG2 THR 32 -1.236 8.328 -4.386 254 2HG2 THR 32 2HG2 THR 32 0.004 7.299 -3.670 255 3HG2 THR 32 3HG2 THR 32 -1.686 7.094 -3.210 256 H PHE 33 H PHE 33 -2.359 3.414 -3.894 257 HA PHE 33 HA PHE 33 -2.782 2.105 -6.543 258 1HB PHE 33 1HB PHE 33 -2.552 -0.061 -5.590 259 2HB PHE 33 2HB PHE 33 -1.199 0.858 -4.953 260 HD1 PHE 33 1HD PHE 33 -4.332 -0.842 -4.164 261 HD2 PHE 33 2HD PHE 33 -1.232 1.687 -2.594 262 HE1 PHE 33 1HE PHE 33 -5.074 -1.362 -1.859 263 HE2 PHE 33 2HE PHE 33 -1.978 1.174 -0.291 264 HZ PHE 33 HZ PHE 33 -3.898 -0.357 0.080 265 H VAL 34 H VAL 34 -4.922 1.058 -6.657 266 HA VAL 34 HA VAL 34 -6.977 2.648 -5.350 267 HB VAL 34 HB VAL 34 -7.100 0.148 -7.065 268 1HG1 VAL 34 1HG1 VAL 34 -9.306 0.207 -6.594 269 2HG1 VAL 34 2HG1 VAL 34 -9.371 1.747 -7.452 270 3HG1 VAL 34 3HG1 VAL 34 -9.132 1.720 -5.705 271 1HG2 VAL 34 1HG2 VAL 34 -6.859 1.493 -8.890 272 2HG2 VAL 34 2HG2 VAL 34 -6.108 2.613 -7.754 273 3HG2 VAL 34 3HG2 VAL 34 -7.812 2.792 -8.172 274 H TYR 35 H TYR 35 -7.060 2.243 -3.114 275 HA TYR 35 HA TYR 35 -6.986 -0.471 -2.032 276 1HB TYR 35 1HB TYR 35 -6.113 1.437 -0.797 277 2HB TYR 35 2HB TYR 35 -7.674 2.256 -0.888 278 HD1 TYR 35 1HD TYR 35 -7.283 -1.379 -0.366 279 HD2 TYR 35 2HD TYR 35 -8.061 2.408 1.502 280 HE1 TYR 35 1HE TYR 35 -8.025 -2.546 1.691 281 HE2 TYR 35 2HE TYR 35 -8.802 1.241 3.562 282 HH TYR 35 HH TYR 35 -8.618 -0.840 4.657 283 H GLY 36 H GLY 36 -8.789 -1.712 -1.385 284 1HA GLY 36 1HA GLY 36 -11.393 -0.894 -2.476 285 2HA GLY 36 2HA GLY 36 -11.023 -2.455 -1.746 286 H ALA 37 H ALA 37 -9.863 -0.030 0.247 287 HA ALA 37 HA ALA 37 -10.710 1.035 2.190 288 1HB ALA 37 1HB ALA 37 -12.977 1.613 2.182 289 2HB ALA 37 2HB ALA 37 -13.462 0.088 1.442 290 3HB ALA 37 3HB ALA 37 -12.677 1.328 0.467 291 H CYS 38 H CYS 38 -10.781 -2.235 1.520 292 HA CYS 38 HA CYS 38 -11.233 -2.860 4.394 293 1HB CYS 38 1HB CYS 38 -12.781 -4.723 3.664 294 2HB CYS 38 2HB CYS 38 -13.420 -3.102 3.389 295 H ARG 39 H ARG 39 -10.794 -5.344 4.697 296 HA ARG 39 HA ARG 39 -9.040 -6.943 4.698 297 1HB ARG 39 1HB ARG 39 -10.595 -6.873 2.333 298 2HB ARG 39 2HB ARG 39 -8.932 -7.158 1.819 299 1HG ARG 39 1HG ARG 39 -9.043 -9.287 2.546 300 2HG ARG 39 2HG ARG 39 -9.483 -8.735 4.163 301 1HD ARG 39 1HD ARG 39 -11.843 -8.349 2.818 302 2HD ARG 39 2HD ARG 39 -11.207 -9.790 2.001 303 HE ARG 39 HE ARG 39 -11.134 -10.910 4.176 304 1HH1 ARG 39 1HH1 ARG 39 -13.778 -9.128 3.878 305 2HH1 ARG 39 2HH1 ARG 39 -13.965 -8.674 5.539 306 1HH2 ARG 39 1HH2 ARG 39 -10.790 -9.723 6.459 307 2HH2 ARG 39 2HH2 ARG 39 -12.273 -9.011 7.001 308 H ALA 40 H ALA 40 -7.957 -4.323 4.831 309 HA ALA 40 HA ALA 40 -5.887 -4.039 2.764 310 1HB ALA 40 1HB ALA 40 -6.719 -2.618 5.287 311 2HB ALA 40 2HB ALA 40 -6.729 -2.020 3.628 312 3HB ALA 40 3HB ALA 40 -5.201 -2.205 4.488 313 H LYS 41 H LYS 41 -3.769 -4.698 2.959 314 HA LYS 41 HA LYS 41 -3.023 -6.236 5.413 315 1HB LYS 41 1HB LYS 41 -1.834 -6.110 2.619 316 2HB LYS 41 2HB LYS 41 -1.313 -7.207 3.897 317 1HG LYS 41 1HG LYS 41 -3.187 -8.535 3.704 318 2HG LYS 41 2HG LYS 41 -4.218 -7.190 3.211 319 1HD LYS 41 1HD LYS 41 -3.933 -7.767 1.051 320 2HD LYS 41 2HD LYS 41 -2.192 -7.545 1.220 321 1HE LYS 41 1HE LYS 41 -1.836 -9.793 1.254 322 2HE LYS 41 2HE LYS 41 -3.126 -10.044 2.447 323 1HZ LYS 41 1HZ LYS 41 -3.723 -11.037 0.322 324 2HZ LYS 41 2HZ LYS 41 -3.488 -9.551 -0.470 325 3HZ LYS 41 3HZ LYS 41 -4.748 -9.728 0.655 326 H ARG 42 H ARG 42 -0.237 -6.067 5.181 327 HA ARG 42 HA ARG 42 0.309 -3.475 6.349 328 1HB ARG 42 1HB ARG 42 2.360 -5.373 5.211 329 2HB ARG 42 2HB ARG 42 2.489 -4.353 6.639 330 1HG ARG 42 1HG ARG 42 0.396 -5.839 7.407 331 2HG ARG 42 2HG ARG 42 1.147 -6.998 6.309 332 1HD ARG 42 1HD ARG 42 3.231 -5.826 7.882 333 2HD ARG 42 2HD ARG 42 1.940 -6.348 8.983 334 HE ARG 42 HE ARG 42 3.215 -8.125 6.925 335 1HH1 ARG 42 1HH2 ARG 42 0.453 -8.527 8.432 336 2HH1 ARG 42 2HH2 ARG 42 0.937 -9.751 9.558 337 1HH2 ARG 42 1HH1 ARG 42 4.328 -9.296 9.008 338 2HH2 ARG 42 2HH1 ARG 42 3.129 -10.186 9.884 339 H ASN 43 H ASN 43 0.107 -4.593 3.116 340 HA ASN 43 HA ASN 43 1.902 -2.482 2.040 341 1HB ASN 43 1HB ASN 43 1.577 -4.994 1.285 342 2HB ASN 43 2HB ASN 43 0.181 -4.349 0.422 343 1HD2 ASN 43 1HD2 ASN 43 3.731 -4.041 0.730 344 2HD2 ASN 43 2HD2 ASN 43 3.967 -3.319 -0.789 345 H ASN 44 H ASN 44 -0.089 -1.219 3.333 346 HA ASN 44 HA ASN 44 -1.631 0.078 1.182 347 1HB ASN 44 1HB ASN 44 -3.010 -1.863 1.667 348 2HB ASN 44 2HB ASN 44 -2.860 -1.596 3.401 349 1HD2 ASN 44 1HD2 ASN 44 -5.392 -1.720 1.969 350 2HD2 ASN 44 2HD2 ASN 44 -6.143 -0.197 2.136 351 H PHE 45 H PHE 45 -0.165 1.784 2.123 352 HA PHE 45 HA PHE 45 -0.767 2.662 4.885 353 1HB PHE 45 1HB PHE 45 1.062 3.923 2.827 354 2HB PHE 45 2HB PHE 45 1.177 4.028 4.583 355 HD1 PHE 45 1HD PHE 45 2.027 2.095 1.627 356 HD2 PHE 45 2HD PHE 45 1.736 1.940 5.913 357 HE1 PHE 45 1HE PHE 45 3.439 0.057 1.648 358 HE2 PHE 45 2HE PHE 45 3.153 -0.098 5.933 359 HZ PHE 45 HZ PHE 45 3.999 -1.049 3.799 360 H LYS 46 H LYS 46 -1.559 4.791 5.354 361 HA LYS 46 HA LYS 46 -3.561 5.789 3.476 362 1HB LYS 46 1HB LYS 46 -4.118 5.812 5.779 363 2HB LYS 46 2HB LYS 46 -2.554 6.483 6.238 364 1HG LYS 46 1HG LYS 46 -3.879 8.268 4.395 365 2HG LYS 46 2HG LYS 46 -4.951 7.902 5.745 366 1HD LYS 46 1HD LYS 46 -2.153 8.412 6.525 367 2HD LYS 46 2HD LYS 46 -2.966 9.801 5.803 368 1HE LYS 46 1HE LYS 46 -3.864 10.145 7.872 369 2HE LYS 46 2HE LYS 46 -4.880 8.728 7.543 370 1HZ LYS 46 1HZ LYS 46 -3.006 7.338 8.337 371 2HZ LYS 46 2HZ LYS 46 -3.625 8.352 9.552 372 3HZ LYS 46 3HZ LYS 46 -2.166 8.746 8.774 373 H SER 47 H SER 47 -0.270 6.589 4.323 374 HA SER 47 HA SER 47 -0.338 8.831 2.350 375 1HB SER 47 1HB SER 47 0.765 10.293 3.938 376 2HB SER 47 2HB SER 47 -0.670 9.636 4.719 377 HG SER 47 HG SER 47 0.688 9.041 6.196 378 H ALA 48 H ALA 48 1.870 9.397 1.607 379 HA ALA 48 HA ALA 48 3.507 7.080 1.103 380 1HB ALA 48 1HB ALA 48 3.632 8.727 -0.537 381 2HB ALA 48 2HB ALA 48 5.086 9.106 0.387 382 3HB ALA 48 3HB ALA 48 3.610 10.039 0.640 383 H GLU 49 H GLU 49 3.421 9.438 3.660 384 HA GLU 49 HA GLU 49 6.167 9.133 4.557 385 1HB GLU 49 1HB GLU 49 3.709 10.537 5.260 386 2HB GLU 49 2HB GLU 49 4.563 9.965 6.694 387 1HG GLU 49 1HG GLU 49 6.391 11.093 4.722 388 2HG GLU 49 2HG GLU 49 5.163 12.260 5.215 389 H ASP 50 H ASP 50 3.156 7.404 5.119 390 HA ASP 50 HA ASP 50 4.164 5.945 7.463 391 1HB ASP 50 1HB ASP 50 1.718 5.900 5.696 392 2HB ASP 50 2HB ASP 50 1.985 4.623 6.882 393 H CYS 51 H CYS 51 3.914 5.487 3.990 394 HA CYS 51 HA CYS 51 4.609 2.641 4.018 395 1HB CYS 51 1HB CYS 51 3.244 3.715 2.268 396 2HB CYS 51 2HB CYS 51 4.586 4.786 1.863 397 H MET 52 H MET 52 6.300 5.707 3.260 398 HA MET 52 HA MET 52 8.837 4.519 2.606 399 1HB MET 52 1HB MET 52 7.796 7.222 3.418 400 2HB MET 52 2HB MET 52 9.536 6.969 3.270 401 1HG MET 52 1HG MET 52 8.574 5.783 0.975 402 2HG MET 52 2HG MET 52 7.476 7.149 1.174 403 1HE MET 52 1HE MET 52 9.787 5.921 -0.566 404 2HE MET 52 2HE MET 52 11.389 6.325 0.047 405 3HE MET 52 3HE MET 52 10.702 7.254 -1.282 406 H ARG 53 H ARG 53 7.606 5.986 5.632 407 HA ARG 53 HA ARG 53 9.975 5.569 7.186 408 1HB ARG 53 1HB ARG 53 8.189 7.097 7.824 409 2HB ARG 53 2HB ARG 53 7.030 5.769 7.894 410 1HG ARG 53 1HG ARG 53 7.886 4.953 9.885 411 2HG ARG 53 2HG ARG 53 9.507 5.571 9.563 412 1HD ARG 53 1HD ARG 53 8.506 6.910 11.350 413 2HD ARG 53 2HD ARG 53 8.576 7.912 9.886 414 HE ARG 53 HE ARG 53 6.132 6.725 9.624 415 1HH1 ARG 53 1HH2 ARG 53 6.566 6.441 12.719 416 2HH1 ARG 53 2HH2 ARG 53 5.609 7.777 13.266 417 1HH2 ARG 53 1HH1 ARG 53 5.378 9.238 10.128 418 2HH2 ARG 53 2HH1 ARG 53 4.935 9.361 11.799 419 H THR 54 H THR 54 7.277 3.463 6.350 420 HA THR 54 HA THR 54 7.841 1.420 8.337 421 HB THR 54 HB THR 54 6.253 1.605 5.770 422 HG1 THR 54 1HG THR 54 4.558 1.619 7.199 423 1HG2 THR 54 1HG2 THR 54 5.367 -0.659 7.113 424 2HG2 THR 54 2HG2 THR 54 7.124 -0.782 7.215 425 3HG2 THR 54 3HG2 THR 54 6.339 -0.648 5.642 426 H CYS 55 H CYS 55 8.456 1.646 4.809 427 HA CYS 55 HA CYS 55 10.568 -0.467 5.153 428 1HB CYS 55 1HB CYS 55 8.751 0.228 2.825 429 2HB CYS 55 2HB CYS 55 10.012 -1.005 2.772 430 H GLY 56 H GLY 56 9.673 2.482 3.338 431 1HA GLY 56 1HA GLY 56 11.084 4.224 2.590 432 2HA GLY 56 2HA GLY 56 12.434 3.414 3.388 433 H GLY 57 H GLY 57 13.268 1.427 2.244 434 1HA GLY 57 1HA GLY 57 13.563 0.142 0.215 435 2HA GLY 57 2HA GLY 57 12.704 1.400 -0.673 436 H ALA 58 H ALA 58 14.574 1.315 -2.169 437 HA ALA 58 HA ALA 58 16.582 2.247 -3.001 438 1HB ALA 58 1HB ALA 58 16.725 4.453 -2.418 439 2HB ALA 58 2HB ALA 58 16.809 4.087 -0.694 440 3HB ALA 58 3HB ALA 58 15.248 4.117 -1.515
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