NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
559005 | 2rsf | 11472 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 1 HA PRO 1 -4.509 33.242 -4.277 2 HB2 PRO 1 1HB PRO 1 -4.647 32.566 -1.341 3 HB3 PRO 1 2HB PRO 1 -3.309 33.282 -2.287 4 HG2 PRO 1 1HG PRO 1 -5.407 34.650 -0.810 5 HG3 PRO 1 2HG PRO 1 -4.140 35.417 -1.813 6 HD2 PRO 1 1HD PRO 1 -6.822 35.506 -2.472 7 HD3 PRO 1 2HD PRO 1 -5.502 35.549 -3.665 8 H SER 2 H SER 2 -3.442 31.155 -4.364 9 HA SER 2 HA SER 2 -4.713 28.687 -3.548 10 HB2 SER 2 1HB SER 2 -5.215 27.864 -5.824 11 HB3 SER 2 2HB SER 2 -6.253 29.213 -5.359 12 HG SER 2 HG SER 2 -5.453 29.438 -7.510 13 H SER 3 H SER 3 -3.500 26.752 -4.460 14 HA SER 3 HA SER 3 -0.860 27.189 -5.632 15 HB2 SER 3 1HB SER 3 -0.420 27.833 -3.304 16 HB3 SER 3 2HB SER 3 -1.140 26.321 -2.727 17 HG SER 3 HG SER 3 1.256 26.416 -2.949 18 H GLY 4 H GLY 4 0.159 25.239 -6.266 19 HA2 GLY 4 1HA GLY 4 -1.489 22.874 -6.664 20 HA3 GLY 4 2HA GLY 4 0.255 23.033 -6.987 21 H SER 5 H SER 5 0.500 23.991 -4.030 22 HA SER 5 HA SER 5 0.851 21.361 -2.778 23 HB2 SER 5 1HB SER 5 1.191 24.159 -1.644 24 HB3 SER 5 2HB SER 5 1.724 22.648 -0.888 25 HG SER 5 HG SER 5 3.434 23.712 -2.027 26 H SER 6 H SER 6 -1.901 23.382 -3.080 27 HA SER 6 HA SER 6 -3.069 22.811 -0.459 28 HB2 SER 6 1HB SER 6 -4.371 23.837 -3.004 29 HB3 SER 6 2HB SER 6 -5.066 23.878 -1.381 30 HG SER 6 HG SER 6 -3.453 25.344 -0.745 31 H GLY 7 H GLY 7 -2.543 20.777 -3.048 32 HA2 GLY 7 1HA GLY 7 -4.729 18.901 -2.222 33 HA3 GLY 7 2HA GLY 7 -4.393 19.198 -3.926 34 H PHE 8 H PHE 8 -4.312 16.694 -3.145 35 HA PHE 8 HA PHE 8 -1.623 15.754 -2.477 36 HB2 PHE 8 1HB PHE 8 -4.155 14.331 -3.390 37 HB3 PHE 8 2HB PHE 8 -2.669 13.511 -2.955 38 HD1 PHE 8 2HD PHE 8 -1.754 13.650 -0.614 39 HD2 PHE 8 1HD PHE 8 -5.683 15.097 -1.654 40 HE1 PHE 8 2HE PHE 8 -2.410 13.593 1.780 41 HE2 PHE 8 1HE PHE 8 -6.333 15.042 0.741 42 HZ PHE 8 HZ PHE 8 -4.700 14.290 2.461 43 H LEU 9 H LEU 9 -0.582 14.084 -3.878 44 HA LEU 9 HA LEU 9 -0.788 14.487 -6.792 45 HB2 LEU 9 1HB LEU 9 0.783 16.228 -5.966 46 HB3 LEU 9 2HB LEU 9 1.732 14.989 -5.149 47 HG LEU 9 HG LEU 9 2.323 13.985 -7.349 48 HD11 LEU 9 1HD1 LEU 9 0.383 14.665 -8.721 49 HD12 LEU 9 2HD1 LEU 9 0.822 16.376 -8.522 50 HD13 LEU 9 3HD1 LEU 9 1.878 15.275 -9.434 51 HD21 LEU 9 3HD2 LEU 9 3.852 15.780 -8.054 52 HD22 LEU 9 1HD2 LEU 9 2.913 16.967 -7.121 53 HD23 LEU 9 2HD2 LEU 9 3.786 15.661 -6.288 54 H ASP 10 H ASP 10 -0.147 12.726 -7.959 55 HA ASP 10 HA ASP 10 0.337 10.192 -6.452 56 HB2 ASP 10 1HB ASP 10 -0.855 10.737 -9.190 57 HB3 ASP 10 2HB ASP 10 -0.575 9.137 -8.512 58 H LYS 11 H LYS 11 1.700 8.634 -7.212 59 HA LYS 11 HA LYS 11 4.219 9.343 -8.401 60 HB2 LYS 11 1HB LYS 11 2.750 6.840 -7.538 61 HB3 LYS 11 2HB LYS 11 4.187 6.656 -8.521 62 HG2 LYS 11 1HG LYS 11 4.911 8.552 -6.509 63 HG3 LYS 11 2HG LYS 11 3.952 7.320 -5.680 64 HD2 LYS 11 1HD LYS 11 5.424 5.559 -6.684 65 HD3 LYS 11 2HD LYS 11 6.403 6.825 -7.441 66 HE2 LYS 11 1HE LYS 11 5.950 6.533 -4.428 67 HE3 LYS 11 2HE LYS 11 7.336 5.861 -5.293 68 HZ1 LYS 11 3HZ LYS 11 7.917 7.953 -4.322 69 HZ2 LYS 11 1HZ LYS 11 7.941 8.133 -5.947 70 HZ3 LYS 11 2HZ LYS 11 6.695 8.747 -5.071 71 HA PRO 12 HA PRO 12 3.604 9.220 -12.657 72 HB2 PRO 12 1HB PRO 12 5.837 8.047 -13.723 73 HB3 PRO 12 2HB PRO 12 5.849 9.621 -12.883 74 HG2 PRO 12 1HG PRO 12 6.461 6.876 -11.758 75 HG3 PRO 12 2HG PRO 12 7.465 8.359 -11.602 76 HD2 PRO 12 1HD PRO 12 5.775 7.576 -9.628 77 HD3 PRO 12 2HD PRO 12 5.965 9.298 -10.004 78 H THR 13 H THR 13 3.642 7.889 -14.668 79 HA THR 13 HA THR 13 2.863 5.130 -14.702 80 HB THR 13 HB THR 13 1.015 6.078 -13.268 81 HG1 THR 13 1HG THR 13 0.385 4.328 -14.291 82 HG21 THR 13 3HG2 THR 13 -0.760 7.360 -14.554 83 HG22 THR 13 1HG2 THR 13 0.683 8.281 -14.086 84 HG23 THR 13 2HG2 THR 13 0.464 7.740 -15.759 85 H LEU 14 H LEU 14 1.298 4.876 -16.634 86 HA LEU 14 HA LEU 14 2.333 6.357 -19.028 87 HB2 LEU 14 1HB LEU 14 1.013 3.633 -18.758 88 HB3 LEU 14 2HB LEU 14 1.674 4.294 -20.240 89 HG LEU 14 HG LEU 14 3.618 4.091 -17.925 90 HD11 LEU 14 1HD1 LEU 14 2.304 2.065 -17.660 91 HD12 LEU 14 2HD1 LEU 14 2.549 1.643 -19.373 92 HD13 LEU 14 3HD1 LEU 14 3.937 1.690 -18.254 93 HD21 LEU 14 3HD2 LEU 14 5.149 3.406 -19.700 94 HD22 LEU 14 1HD2 LEU 14 3.818 3.346 -20.876 95 HD23 LEU 14 2HD2 LEU 14 4.313 4.900 -20.165 96 H LEU 15 H LEU 15 -0.362 5.820 -16.989 97 HA LEU 15 HA LEU 15 -2.471 6.437 -18.924 98 HB2 LEU 15 1HB LEU 15 -2.754 6.455 -15.897 99 HB3 LEU 15 2HB LEU 15 -3.988 6.215 -17.119 100 HG LEU 15 HG LEU 15 -1.815 4.229 -16.354 101 HD11 LEU 15 1HD1 LEU 15 -3.700 4.474 -14.764 102 HD12 LEU 15 2HD1 LEU 15 -4.850 4.155 -16.081 103 HD13 LEU 15 3HD1 LEU 15 -3.714 2.891 -15.562 104 HD21 LEU 15 3HD2 LEU 15 -2.957 2.658 -17.912 105 HD22 LEU 15 1HD2 LEU 15 -3.957 4.000 -18.515 106 HD23 LEU 15 2HD2 LEU 15 -2.192 4.004 -18.761 107 H SER 16 H SER 16 -4.151 8.039 -17.610 108 HA SER 16 HA SER 16 -2.980 10.763 -17.851 109 HB2 SER 16 1HB SER 16 -5.543 9.415 -18.694 110 HB3 SER 16 2HB SER 16 -5.505 11.122 -18.447 111 HG SER 16 HG SER 16 -5.025 10.529 -20.651 112 HA PRO 17 HA PRO 17 -4.355 11.813 -13.793 113 HB2 PRO 17 1HB PRO 17 -5.463 14.317 -14.094 114 HB3 PRO 17 2HB PRO 17 -3.707 13.981 -14.184 115 HG2 PRO 17 1HG PRO 17 -5.675 14.227 -16.487 116 HG3 PRO 17 2HG PRO 17 -4.061 15.000 -16.317 117 HD2 PRO 17 1HD PRO 17 -4.364 12.748 -17.758 118 HD3 PRO 17 2HD PRO 17 -2.928 12.982 -16.714 119 H GLU 18 H GLU 18 -6.751 11.916 -16.373 120 HA GLU 18 HA GLU 18 -9.025 11.774 -14.531 121 HB2 GLU 18 1HB GLU 18 -10.399 11.699 -16.531 122 HB3 GLU 18 2HB GLU 18 -9.242 13.026 -16.584 123 HG2 GLU 18 1HG GLU 18 -7.787 11.715 -18.111 124 HG3 GLU 18 2HG GLU 18 -8.932 10.369 -18.055 125 H GLU 19 H GLU 19 -6.854 9.406 -15.689 126 HA GLU 19 HA GLU 19 -8.793 7.172 -15.662 127 HB2 GLU 19 1HB GLU 19 -5.820 7.421 -16.195 128 HB3 GLU 19 2HB GLU 19 -6.559 5.871 -15.914 129 HG2 GLU 19 1HG GLU 19 -7.350 7.832 -18.112 130 HG3 GLU 19 2HG GLU 19 -6.281 6.448 -18.318 131 H LEU 20 H LEU 20 -5.863 8.184 -13.955 132 HA LEU 20 HA LEU 20 -5.771 6.278 -11.869 133 HB2 LEU 20 1HB LEU 20 -4.970 9.217 -11.836 134 HB3 LEU 20 2HB LEU 20 -4.375 8.015 -10.709 135 HG LEU 20 HG LEU 20 -3.914 7.553 -13.677 136 HD11 LEU 20 1HD1 LEU 20 -3.401 9.922 -13.188 137 HD12 LEU 20 2HD1 LEU 20 -2.234 9.403 -11.953 138 HD13 LEU 20 3HD1 LEU 20 -1.987 8.982 -13.675 139 HD21 LEU 20 3HD2 LEU 20 -1.890 6.442 -12.859 140 HD22 LEU 20 1HD2 LEU 20 -2.234 6.965 -11.200 141 HD23 LEU 20 2HD2 LEU 20 -3.305 5.802 -12.014 142 H LYS 21 H LYS 21 -7.144 9.576 -11.793 143 HA LYS 21 HA LYS 21 -8.404 9.387 -9.230 144 HB2 LYS 21 1HB LYS 21 -8.813 11.105 -11.671 145 HB3 LYS 21 2HB LYS 21 -10.065 11.094 -10.445 146 HG2 LYS 21 1HG LYS 21 -8.481 12.930 -10.132 147 HG3 LYS 21 2HG LYS 21 -8.605 11.873 -8.726 148 HD2 LYS 21 1HD LYS 21 -6.442 10.879 -9.165 149 HD3 LYS 21 2HD LYS 21 -6.356 11.649 -10.757 150 HE2 LYS 21 1HE LYS 21 -6.441 13.898 -9.615 151 HE3 LYS 21 2HE LYS 21 -6.379 13.069 -8.054 152 HZ1 LYS 21 3HZ LYS 21 -4.184 13.802 -8.776 153 HZ2 LYS 21 1HZ LYS 21 -4.201 12.172 -8.688 154 HZ3 LYS 21 2HZ LYS 21 -4.277 12.917 -10.147 155 H ALA 22 H ALA 22 -9.651 8.316 -12.428 156 HA ALA 22 HA ALA 22 -12.301 7.706 -11.389 157 HB1 ALA 22 1HB ALA 22 -11.953 8.243 -13.746 158 HB2 ALA 22 2HB ALA 22 -10.906 6.819 -13.952 159 HB3 ALA 22 3HB ALA 22 -12.630 6.615 -13.583 160 H ALA 23 H ALA 23 -9.363 5.724 -11.899 161 HA ALA 23 HA ALA 23 -10.431 3.197 -11.186 162 HB1 ALA 23 1HB ALA 23 -8.183 3.622 -12.201 163 HB2 ALA 23 2HB ALA 23 -7.643 4.327 -10.654 164 HB3 ALA 23 3HB ALA 23 -8.084 2.613 -10.741 165 H SER 24 H SER 24 -9.417 5.876 -9.121 166 HA SER 24 HA SER 24 -9.715 4.322 -6.636 167 HB2 SER 24 1HB SER 24 -7.947 6.014 -6.947 168 HB3 SER 24 2HB SER 24 -9.184 7.278 -7.078 169 HG SER 24 HG SER 24 -8.333 7.069 -4.925 170 H ARG 25 H ARG 25 -11.349 7.261 -7.950 171 HA ARG 25 HA ARG 25 -13.351 7.342 -5.947 172 HB2 ARG 25 1HB ARG 25 -13.079 8.630 -8.686 173 HB3 ARG 25 2HB ARG 25 -14.333 9.021 -7.545 174 HG2 ARG 25 1HG ARG 25 -11.342 9.415 -7.150 175 HG3 ARG 25 2HG ARG 25 -12.544 10.661 -7.455 176 HD2 ARG 25 1HD ARG 25 -12.312 8.950 -4.955 177 HD3 ARG 25 2HD ARG 25 -11.872 10.649 -5.134 178 HE ARG 25 HE ARG 25 -14.479 10.728 -5.859 179 HH11 ARG 25 1HH1 ARG 25 -12.960 9.371 -2.964 180 HH12 ARG 25 2HH1 ARG 25 -14.393 9.588 -2.004 181 HH21 ARG 25 1HH2 ARG 25 -16.290 10.970 -4.567 182 HH22 ARG 25 2HH2 ARG 25 -16.245 10.491 -2.899 183 H GLY 26 H GLY 26 -13.233 5.407 -8.813 184 HA2 GLY 26 1HA GLY 26 -16.047 4.984 -9.236 185 HA3 GLY 26 2HA GLY 26 -14.716 3.914 -9.738 186 H ASN 27 H ASN 27 -13.947 3.825 -6.721 187 HA ASN 27 HA ASN 27 -16.163 2.091 -5.696 188 HB2 ASN 27 1HB ASN 27 -13.202 1.403 -5.821 189 HB3 ASN 27 2HB ASN 27 -14.368 0.554 -4.806 190 HD21 ASN 27 2HD2 ASN 27 -16.054 -0.723 -5.802 191 HD22 ASN 27 1HD2 ASN 27 -15.843 -1.290 -7.446 192 H GLY 28 H GLY 28 -13.140 3.845 -4.752 193 HA2 GLY 28 1HA GLY 28 -12.828 5.261 -2.921 194 HA3 GLY 28 2HA GLY 28 -14.453 4.862 -2.305 195 H GLU 29 H GLU 29 -12.665 2.129 -3.114 196 HA GLU 29 HA GLU 29 -12.132 1.339 -0.319 197 HB2 GLU 29 1HB GLU 29 -12.794 0.027 -2.851 198 HB3 GLU 29 2HB GLU 29 -11.323 -0.629 -2.241 199 HG2 GLU 29 1HG GLU 29 -13.802 -0.271 -0.531 200 HG3 GLU 29 2HG GLU 29 -13.569 -1.701 -1.539 201 H TYR 30 H TYR 30 -10.016 -0.127 -0.247 202 HA TYR 30 HA TYR 30 -7.716 0.712 -1.793 203 HB2 TYR 30 1HB TYR 30 -6.510 1.895 -0.101 204 HB3 TYR 30 2HB TYR 30 -8.031 2.714 -0.379 205 HD1 TYR 30 1HD TYR 30 -10.015 2.088 1.280 206 HD2 TYR 30 2HD TYR 30 -5.877 1.137 2.040 207 HE1 TYR 30 1HE TYR 30 -10.514 1.861 3.713 208 HE2 TYR 30 2HE TYR 30 -6.381 0.853 4.466 209 HH TYR 30 HH TYR 30 -9.673 1.372 5.802 210 H ALA 31 H ALA 31 -5.873 -0.431 -1.421 211 HA ALA 31 HA ALA 31 -5.580 -2.276 0.850 212 HB1 ALA 31 1HB ALA 31 -6.814 -3.739 -0.573 213 HB2 ALA 31 2HB ALA 31 -5.995 -3.172 -2.035 214 HB3 ALA 31 3HB ALA 31 -5.126 -4.178 -0.846 215 H TRP 32 H TRP 32 -3.463 -3.135 1.018 216 HA TRP 32 HA TRP 32 -1.348 -1.764 -0.597 217 HB2 TRP 32 1HB TRP 32 -1.369 -2.521 2.342 218 HB3 TRP 32 2HB TRP 32 0.100 -2.198 1.442 219 HD1 TRP 32 HD TRP 32 -3.198 -0.275 2.110 220 HE1 TRP 32 1HE TRP 32 -2.673 2.221 2.306 221 HE3 TRP 32 3HE TRP 32 1.882 -0.451 1.304 222 HZ2 TRP 32 2HZ TRP 32 -0.325 3.893 2.377 223 HZ3 TRP 32 3HZ TRP 32 3.215 1.634 1.455 224 HH2 TRP 32 HH TRP 32 2.133 3.798 1.991 225 H TYR 33 H TYR 33 0.394 -2.970 -1.237 226 HA TYR 33 HA TYR 33 0.313 -5.926 -0.889 227 HB2 TYR 33 1HB TYR 33 0.445 -4.421 -3.528 228 HB3 TYR 33 2HB TYR 33 0.786 -6.128 -3.349 229 HD1 TYR 33 2HD TYR 33 -1.938 -3.576 -2.984 230 HD2 TYR 33 1HD TYR 33 -0.926 -7.735 -3.512 231 HE1 TYR 33 2HE TYR 33 -4.335 -4.116 -3.355 232 HE2 TYR 33 1HE TYR 33 -3.321 -8.274 -3.887 233 HH TYR 33 HH TYR 33 -5.475 -7.454 -3.990 234 H TYR 34 H TYR 34 2.277 -7.009 -1.444 235 HA TYR 34 HA TYR 34 4.713 -5.372 -1.877 236 HB2 TYR 34 1HB TYR 34 5.922 -6.481 -0.137 237 HB3 TYR 34 2HB TYR 34 4.501 -5.719 0.549 238 HD1 TYR 34 2HD TYR 34 2.526 -7.131 1.269 239 HD2 TYR 34 1HD TYR 34 6.273 -8.859 0.023 240 HE1 TYR 34 2HE TYR 34 1.903 -9.267 2.373 241 HE2 TYR 34 1HE TYR 34 5.664 -10.995 1.134 242 HH TYR 34 HH TYR 34 4.077 -12.129 2.359 243 H GLU 35 H GLU 35 6.446 -6.533 -2.940 244 HA GLU 35 HA GLU 35 5.462 -8.735 -4.625 245 HB2 GLU 35 1HB GLU 35 8.163 -7.338 -4.544 246 HB3 GLU 35 2HB GLU 35 7.748 -8.685 -5.613 247 HG2 GLU 35 1HG GLU 35 5.734 -7.228 -6.363 248 HG3 GLU 35 2HG GLU 35 6.625 -5.889 -5.621 249 H GLY 36 H GLY 36 5.381 -10.730 -3.921 250 HA2 GLY 36 1HA GLY 36 7.560 -11.920 -2.234 251 HA3 GLY 36 2HA GLY 36 5.965 -12.626 -2.550 252 H ARG 37 H ARG 37 7.338 -14.514 -3.043 253 HA ARG 37 HA ARG 37 9.157 -14.718 -5.164 254 HB2 ARG 37 1HB ARG 37 8.701 -16.395 -3.351 255 HB3 ARG 37 2HB ARG 37 7.205 -16.839 -4.179 256 HG2 ARG 37 1HG ARG 37 8.654 -17.439 -6.217 257 HG3 ARG 37 2HG ARG 37 10.068 -17.179 -5.186 258 HD2 ARG 37 1HD ARG 37 9.238 -18.921 -3.627 259 HD3 ARG 37 2HD ARG 37 7.803 -19.158 -4.627 260 HE ARG 37 HE ARG 37 10.490 -20.172 -5.096 261 HH11 ARG 37 1HH2 ARG 37 7.490 -19.349 -6.820 262 HH12 ARG 37 2HH2 ARG 37 7.836 -20.474 -8.102 263 HH21 ARG 37 1HH1 ARG 37 10.861 -21.567 -6.797 264 HH22 ARG 37 2HH1 ARG 37 9.716 -21.694 -8.097 265 H ASN 38 H ASN 38 5.634 -15.207 -5.271 266 HA ASN 38 HA ASN 38 5.731 -15.793 -8.177 267 HB2 ASN 38 1HB ASN 38 3.681 -16.336 -6.004 268 HB3 ASN 38 2HB ASN 38 3.396 -16.652 -7.712 269 HD21 ASN 38 2HD2 ASN 38 3.046 -18.897 -7.071 270 HD22 ASN 38 1HD2 ASN 38 4.440 -19.932 -6.824 271 H GLY 39 H GLY 39 5.075 -13.021 -6.372 272 HA2 GLY 39 1HA GLY 39 4.561 -11.195 -8.225 273 HA3 GLY 39 2HA GLY 39 2.965 -11.931 -8.153 274 H TRP 40 H TRP 40 2.386 -9.685 -7.542 275 HA TRP 40 HA TRP 40 2.980 -8.623 -4.932 276 HB2 TRP 40 1HB TRP 40 0.634 -8.158 -6.811 277 HB3 TRP 40 2HB TRP 40 0.996 -7.198 -5.391 278 HD1 TRP 40 HD TRP 40 1.889 -7.592 -8.997 279 HE1 TRP 40 1HE TRP 40 3.579 -5.821 -9.724 280 HE3 TRP 40 3HE TRP 40 3.127 -5.726 -4.393 281 HZ2 TRP 40 2HZ TRP 40 5.173 -3.742 -8.479 282 HZ3 TRP 40 3HZ TRP 40 4.735 -3.852 -4.198 283 HH2 TRP 40 HH TRP 40 5.754 -2.838 -6.224 284 H TRP 41 H TRP 41 2.169 -9.133 -2.990 285 HA TRP 41 HA TRP 41 -0.408 -10.630 -2.767 286 HB2 TRP 41 1HB TRP 41 2.123 -11.068 -1.140 287 HB3 TRP 41 2HB TRP 41 0.572 -11.875 -0.886 288 HD1 TRP 41 HD TRP 41 3.742 -12.581 -2.395 289 HE1 TRP 41 1HE TRP 41 3.637 -14.278 -4.312 290 HE3 TRP 41 3HE TRP 41 -1.326 -12.678 -3.119 291 HZ2 TRP 41 2HZ TRP 41 1.636 -15.311 -6.130 292 HZ3 TRP 41 3HZ TRP 41 -2.299 -13.984 -4.961 293 HH2 TRP 41 HH TRP 41 -0.837 -15.307 -6.492 294 H GLN 42 H GLN 42 -1.754 -10.101 -1.089 295 HA GLN 42 HA GLN 42 -1.581 -7.288 -0.388 296 HB2 GLN 42 1HB GLN 42 -3.608 -8.628 -1.257 297 HB3 GLN 42 2HB GLN 42 -3.769 -9.238 0.394 298 HG2 GLN 42 1HG GLN 42 -3.914 -6.838 1.182 299 HG3 GLN 42 2HG GLN 42 -3.864 -6.316 -0.501 300 HE21 GLN 42 2HE2 GLN 42 -6.036 -5.992 1.587 301 HE22 GLN 42 1HE2 GLN 42 -7.449 -6.711 0.832 302 H TYR 43 H TYR 43 -1.440 -6.339 1.612 303 HA TYR 43 HA TYR 43 -0.413 -7.794 3.922 304 HB2 TYR 43 1HB TYR 43 -1.343 -4.962 3.375 305 HB3 TYR 43 2HB TYR 43 -0.954 -5.485 5.004 306 HD1 TYR 43 2HD TYR 43 1.342 -6.165 5.638 307 HD2 TYR 43 1HD TYR 43 0.428 -4.547 1.762 308 HE1 TYR 43 2HE TYR 43 3.741 -5.625 5.296 309 HE2 TYR 43 1HE TYR 43 2.820 -4.000 1.401 310 HH TYR 43 HH TYR 43 4.932 -4.129 2.258 311 H ASP 44 H ASP 44 -1.417 -7.801 6.039 312 HA ASP 44 HA ASP 44 -4.215 -8.610 6.162 313 HB2 ASP 44 1HB ASP 44 -2.210 -7.783 8.300 314 HB3 ASP 44 2HB ASP 44 -3.830 -8.342 8.640 315 H GLU 45 H GLU 45 -5.955 -7.444 7.003 316 HA GLU 45 HA GLU 45 -6.037 -4.602 6.603 317 HB2 GLU 45 1HB GLU 45 -8.289 -4.704 7.527 318 HB3 GLU 45 2HB GLU 45 -8.009 -5.976 6.338 319 HG2 GLU 45 1HG GLU 45 -7.712 -7.638 8.135 320 HG3 GLU 45 2HG GLU 45 -7.941 -6.380 9.351 321 H ARG 46 H ARG 46 -5.076 -6.478 9.328 322 HA ARG 46 HA ARG 46 -5.208 -4.544 11.467 323 HB2 ARG 46 1HB ARG 46 -3.441 -6.963 10.840 324 HB3 ARG 46 2HB ARG 46 -3.178 -5.963 12.258 325 HG2 ARG 46 1HG ARG 46 -4.420 -7.866 12.899 326 HG3 ARG 46 2HG ARG 46 -5.383 -6.402 13.097 327 HD2 ARG 46 1HD ARG 46 -6.801 -8.182 12.369 328 HD3 ARG 46 2HD ARG 46 -6.696 -6.993 11.073 329 HE ARG 46 HE ARG 46 -4.708 -8.974 10.600 330 HH11 ARG 46 1HH1 ARG 46 -8.236 -8.973 10.844 331 HH12 ARG 46 2HH1 ARG 46 -8.403 -10.292 9.726 332 HH21 ARG 46 1HH2 ARG 46 -5.003 -10.637 9.077 333 HH22 ARG 46 2HH2 ARG 46 -6.611 -11.230 8.783 334 H THR 47 H THR 47 -2.883 -5.314 9.010 335 HA THR 47 HA THR 47 -0.818 -3.434 9.914 336 HB THR 47 HB THR 47 -0.842 -5.457 7.638 337 HG1 THR 47 1HG THR 47 0.299 -6.682 9.239 338 HG21 THR 47 3HG2 THR 47 1.649 -5.350 7.963 339 HG22 THR 47 1HG2 THR 47 0.956 -3.849 7.314 340 HG23 THR 47 2HG2 THR 47 1.404 -3.941 9.029 341 H SER 48 H SER 48 -2.711 -3.889 6.859 342 HA SER 48 HA SER 48 -1.366 -1.832 5.431 343 HB2 SER 48 1HB SER 48 -3.217 -1.949 3.865 344 HB3 SER 48 2HB SER 48 -2.707 -3.570 4.362 345 HG SER 48 HG SER 48 -5.009 -3.342 4.375 346 H ARG 49 H ARG 49 -4.105 -1.599 7.653 347 HA ARG 49 HA ARG 49 -4.835 1.082 7.071 348 HB2 ARG 49 1HB ARG 49 -6.066 1.051 9.087 349 HB3 ARG 49 2HB ARG 49 -6.162 -0.541 8.372 350 HG2 ARG 49 1HG ARG 49 -5.824 -1.094 10.581 351 HG3 ARG 49 2HG ARG 49 -4.196 -1.188 9.945 352 HD2 ARG 49 1HD ARG 49 -4.309 -0.108 12.193 353 HD3 ARG 49 2HD ARG 49 -3.608 0.917 10.980 354 HE ARG 49 HE ARG 49 -6.503 1.233 11.547 355 HH11 ARG 49 1HH1 ARG 49 -3.269 2.615 12.098 356 HH12 ARG 49 2HH1 ARG 49 -3.894 4.255 11.892 357 HH21 ARG 49 1HH2 ARG 49 -7.174 3.425 11.467 358 HH22 ARG 49 2HH2 ARG 49 -5.950 4.673 11.598 359 H GLU 50 H GLU 50 -2.024 -0.149 8.799 360 HA GLU 50 HA GLU 50 -1.474 2.373 10.201 361 HB2 GLU 50 1HB GLU 50 0.382 0.028 9.597 362 HB3 GLU 50 2HB GLU 50 0.718 1.340 10.708 363 HG2 GLU 50 1HG GLU 50 -1.627 -0.573 11.104 364 HG3 GLU 50 2HG GLU 50 -0.009 -0.887 11.704 365 H LEU 51 H LEU 51 -0.416 0.720 7.256 366 HA LEU 51 HA LEU 51 1.510 2.636 6.331 367 HB2 LEU 51 1HB LEU 51 -0.172 0.722 4.670 368 HB3 LEU 51 2HB LEU 51 1.427 1.358 4.302 369 HG LEU 51 HG LEU 51 0.776 -0.643 6.508 370 HD11 LEU 51 1HD1 LEU 51 0.534 -1.552 4.232 371 HD12 LEU 51 2HD1 LEU 51 2.206 -1.068 3.866 372 HD13 LEU 51 3HD1 LEU 51 1.877 -2.285 5.122 373 HD21 LEU 51 3HD2 LEU 51 3.245 -0.891 6.671 374 HD22 LEU 51 1HD2 LEU 51 3.436 0.485 5.560 375 HD23 LEU 51 2HD2 LEU 51 2.691 0.710 7.161 376 H GLU 52 H GLU 52 -1.938 2.113 5.577 377 HA GLU 52 HA GLU 52 -2.328 4.304 3.842 378 HB2 GLU 52 1HB GLU 52 -3.859 2.305 4.300 379 HB3 GLU 52 2HB GLU 52 -4.334 3.109 5.789 380 HG2 GLU 52 1HG GLU 52 -6.029 3.580 4.228 381 HG3 GLU 52 2HG GLU 52 -5.137 5.071 4.388 382 H ASP 53 H ASP 53 -2.172 4.276 7.412 383 HA ASP 53 HA ASP 53 -3.359 6.957 7.662 384 HB2 ASP 53 1HB ASP 53 -2.396 4.811 9.525 385 HB3 ASP 53 2HB ASP 53 -2.172 6.450 10.069 386 H ALA 54 H ALA 54 -0.145 5.562 7.370 387 HA ALA 54 HA ALA 54 1.308 7.698 8.550 388 HB1 ALA 54 1HB ALA 54 2.209 5.520 8.342 389 HB2 ALA 54 2HB ALA 54 2.030 5.513 6.581 390 HB3 ALA 54 3HB ALA 54 3.232 6.591 7.339 391 H PHE 55 H PHE 55 0.607 7.194 5.032 392 HA PHE 55 HA PHE 55 1.897 9.693 4.316 393 HB2 PHE 55 1HB PHE 55 1.362 9.248 2.152 394 HB3 PHE 55 2HB PHE 55 1.415 7.629 2.802 395 HD1 PHE 55 2HD PHE 55 -0.687 6.328 3.154 396 HD2 PHE 55 1HD PHE 55 -0.699 10.241 1.350 397 HE1 PHE 55 2HE PHE 55 -2.932 5.891 2.200 398 HE2 PHE 55 1HE PHE 55 -2.960 9.804 0.411 399 HZ PHE 55 HZ PHE 55 -4.076 7.616 0.829 400 H SER 56 H SER 56 -1.139 8.906 5.639 401 HA SER 56 HA SER 56 -2.521 11.410 4.917 402 HB2 SER 56 1HB SER 56 -3.587 9.110 5.295 403 HB3 SER 56 2HB SER 56 -3.334 9.385 7.019 404 HG SER 56 HG SER 56 -5.427 10.083 6.293 405 H LYS 57 H LYS 57 -0.683 10.144 7.704 406 HA LYS 57 HA LYS 57 -1.127 12.415 9.470 407 HB2 LYS 57 1HB LYS 57 0.895 10.156 9.312 408 HB3 LYS 57 2HB LYS 57 0.995 11.413 10.545 409 HG2 LYS 57 1HG LYS 57 -0.933 10.723 11.659 410 HG3 LYS 57 2HG LYS 57 -1.605 9.904 10.247 411 HD2 LYS 57 1HD LYS 57 -0.806 8.260 11.914 412 HD3 LYS 57 2HD LYS 57 0.027 8.138 10.377 413 HE2 LYS 57 1HE LYS 57 1.827 7.956 11.780 414 HE3 LYS 57 2HE LYS 57 1.857 9.679 11.465 415 HZ1 LYS 57 3HZ LYS 57 2.056 9.252 13.841 416 HZ2 LYS 57 1HZ LYS 57 0.649 10.034 13.564 417 HZ3 LYS 57 2HZ LYS 57 0.647 8.428 13.873 418 H GLY 58 H GLY 58 1.466 11.486 7.186 419 HA2 GLY 58 1HA GLY 58 2.369 13.367 5.807 420 HA3 GLY 58 2HA GLY 58 2.615 14.264 7.321 421 H LYS 59 H LYS 59 3.360 11.110 8.156 422 HA LYS 59 HA LYS 59 6.192 11.623 8.012 423 HB2 LYS 59 1HB LYS 59 6.383 9.233 8.822 424 HB3 LYS 59 2HB LYS 59 5.546 10.361 9.885 425 HG2 LYS 59 1HG LYS 59 3.427 9.458 9.450 426 HG3 LYS 59 2HG LYS 59 3.987 8.644 7.986 427 HD2 LYS 59 1HD LYS 59 3.545 7.103 9.862 428 HD3 LYS 59 2HD LYS 59 5.160 6.986 9.219 429 HE2 LYS 59 1HE LYS 59 4.573 8.598 11.736 430 HE3 LYS 59 2HE LYS 59 4.772 6.845 11.774 431 HZ1 LYS 59 3HZ LYS 59 6.876 7.763 12.226 432 HZ2 LYS 59 1HZ LYS 59 6.989 7.197 10.690 433 HZ3 LYS 59 2HZ LYS 59 6.837 8.802 10.974 434 H LYS 60 H LYS 60 7.765 10.391 7.018 435 HA LYS 60 HA LYS 60 7.113 9.712 4.197 436 HB2 LYS 60 1HB LYS 60 9.294 10.374 3.675 437 HB3 LYS 60 2HB LYS 60 8.717 11.541 4.846 438 HG2 LYS 60 1HG LYS 60 10.055 10.329 6.604 439 HG3 LYS 60 2HG LYS 60 10.640 9.233 5.343 440 HD2 LYS 60 1HD LYS 60 12.330 10.879 5.752 441 HD3 LYS 60 2HD LYS 60 11.655 11.148 4.139 442 HE2 LYS 60 1HE LYS 60 10.251 12.999 5.035 443 HE3 LYS 60 2HE LYS 60 10.880 12.698 6.661 444 HZ1 LYS 60 3HZ LYS 60 12.054 14.517 5.576 445 HZ2 LYS 60 1HZ LYS 60 13.094 13.287 5.838 446 HZ3 LYS 60 2HZ LYS 60 12.511 13.562 4.334 447 H ASN 61 H ASN 61 7.558 8.036 7.009 448 HA ASN 61 HA ASN 61 7.684 5.496 5.766 449 HB2 ASN 61 1HB ASN 61 9.743 4.588 6.617 450 HB3 ASN 61 2HB ASN 61 10.120 5.968 5.596 451 HD21 ASN 61 2HD2 ASN 61 10.401 8.059 6.768 452 HD22 ASN 61 1HD2 ASN 61 11.252 8.049 8.302 453 H THR 62 H THR 62 6.973 3.944 7.110 454 HA THR 62 HA THR 62 6.568 4.541 10.028 455 HB THR 62 HB THR 62 4.525 5.019 8.660 456 HG1 THR 62 1HG THR 62 3.248 3.959 10.243 457 HG21 THR 62 3HG2 THR 62 3.102 3.126 8.013 458 HG22 THR 62 1HG2 THR 62 4.614 3.082 7.092 459 HG23 THR 62 2HG2 THR 62 4.371 1.968 8.456 460 H GLU 63 H GLU 63 5.587 2.379 11.042 461 HA GLU 63 HA GLU 63 7.479 0.160 10.395 462 HB2 GLU 63 1HB GLU 63 6.925 1.565 13.041 463 HB3 GLU 63 2HB GLU 63 7.657 -0.039 12.935 464 HG2 GLU 63 1HG GLU 63 9.460 0.828 11.533 465 HG3 GLU 63 2HG GLU 63 8.784 2.454 11.599 466 H MET 64 H MET 64 6.829 -1.862 10.830 467 HA MET 64 HA MET 64 4.143 -2.432 11.938 468 HB2 MET 64 1HB MET 64 3.600 -3.765 9.869 469 HB3 MET 64 2HB MET 64 3.563 -2.014 9.668 470 HG2 MET 64 1HG MET 64 5.736 -2.030 8.571 471 HG3 MET 64 2HG MET 64 5.961 -3.739 8.943 472 HE1 MET 64 3HE MET 64 5.886 -3.709 5.143 473 HE2 MET 64 1HE MET 64 6.827 -3.103 6.516 474 HE3 MET 64 2HE MET 64 6.343 -4.820 6.443 475 H LEU 65 H LEU 65 3.797 -4.492 12.559 476 HA LEU 65 HA LEU 65 6.156 -6.272 12.811 477 HB2 LEU 65 1HB LEU 65 4.404 -5.278 14.749 478 HB3 LEU 65 2HB LEU 65 3.686 -6.827 14.392 479 HG LEU 65 HG LEU 65 5.133 -6.979 16.284 480 HD11 LEU 65 1HD1 LEU 65 5.095 -8.968 14.841 481 HD12 LEU 65 2HD1 LEU 65 6.573 -8.394 14.031 482 HD13 LEU 65 3HD1 LEU 65 6.607 -8.803 15.749 483 HD21 LEU 65 3HD2 LEU 65 7.498 -6.452 16.267 484 HD22 LEU 65 1HD2 LEU 65 7.445 -6.069 14.535 485 HD23 LEU 65 2HD2 LEU 65 6.569 -5.047 15.694 486 H ILE 66 H ILE 66 6.072 -8.304 12.174 487 HA ILE 66 HA ILE 66 3.673 -9.300 10.638 488 HB ILE 66 HB ILE 66 5.060 -10.241 8.981 489 HG12 ILE 66 1HG1 ILE 66 7.616 -8.955 9.548 490 HG13 ILE 66 2HG1 ILE 66 7.197 -9.989 10.888 491 HG21 ILE 66 1HG2 ILE 66 4.273 -7.889 8.775 492 HG22 ILE 66 2HG2 ILE 66 5.861 -7.329 9.334 493 HG23 ILE 66 3HG2 ILE 66 5.715 -8.265 7.831 494 HD11 ILE 66 3HD1 ILE 66 8.527 -11.066 8.990 495 HD12 ILE 66 1HD1 ILE 66 7.114 -11.953 9.558 496 HD13 ILE 66 2HD1 ILE 66 7.029 -11.033 8.050 497 H ALA 67 H ALA 67 5.010 -11.859 10.058 498 HA ALA 67 HA ALA 67 4.056 -13.449 12.155 499 HB1 ALA 67 1HB ALA 67 4.434 -14.133 9.778 500 HB2 ALA 67 2HB ALA 67 6.195 -14.053 10.051 501 HB3 ALA 67 3HB ALA 67 5.213 -15.252 10.914 502 H GLY 68 H GLY 68 7.127 -11.811 12.067 503 HA2 GLY 68 1HA GLY 68 7.835 -12.581 14.727 504 HA3 GLY 68 2HA GLY 68 8.748 -13.565 13.601 505 H PHE 69 H PHE 69 8.050 -10.251 12.620 506 HA PHE 69 HA PHE 69 10.748 -9.287 13.333 507 HB2 PHE 69 1HB PHE 69 9.843 -9.746 10.457 508 HB3 PHE 69 2HB PHE 69 11.252 -8.827 10.919 509 HD1 PHE 69 2HD PHE 69 13.177 -9.963 12.115 510 HD2 PHE 69 1HD PHE 69 9.960 -12.177 10.273 511 HE1 PHE 69 2HE PHE 69 14.626 -11.977 11.990 512 HE2 PHE 69 1HE PHE 69 11.412 -14.178 10.150 513 HZ PHE 69 HZ PHE 69 13.748 -14.084 11.001 514 H LEU 70 H LEU 70 11.074 -7.088 12.988 515 HA LEU 70 HA LEU 70 8.664 -5.399 12.520 516 HB2 LEU 70 1HB LEU 70 10.217 -5.121 14.575 517 HB3 LEU 70 2HB LEU 70 11.428 -4.563 13.433 518 HG LEU 70 HG LEU 70 10.486 -2.688 14.511 519 HD11 LEU 70 1HD1 LEU 70 10.840 -2.476 11.980 520 HD12 LEU 70 2HD1 LEU 70 9.063 -2.554 11.852 521 HD13 LEU 70 3HD1 LEU 70 9.826 -1.262 12.771 522 HD21 LEU 70 3HD2 LEU 70 8.086 -2.079 14.412 523 HD22 LEU 70 1HD2 LEU 70 7.727 -3.659 13.685 524 HD23 LEU 70 2HD2 LEU 70 8.398 -3.564 15.329 525 H TYR 71 H TYR 71 8.412 -4.571 10.611 526 HA TYR 71 HA TYR 71 10.739 -4.126 8.774 527 HB2 TYR 71 1HB TYR 71 7.879 -4.796 8.094 528 HB3 TYR 71 2HB TYR 71 9.076 -4.281 6.910 529 HD1 TYR 71 1HD TYR 71 11.494 -5.903 7.916 530 HD2 TYR 71 2HD TYR 71 7.359 -6.950 7.236 531 HE1 TYR 71 1HE TYR 71 12.118 -8.288 7.670 532 HE2 TYR 71 2HE TYR 71 7.983 -9.311 7.055 533 HH TYR 71 HH TYR 71 9.746 -10.873 7.065 534 H VAL 72 H VAL 72 11.150 -2.187 8.143 535 HA VAL 72 HA VAL 72 9.441 0.107 8.912 536 HB VAL 72 HB VAL 72 12.147 0.108 7.542 537 HG11 VAL 72 1HG1 VAL 72 10.850 2.198 7.209 538 HG12 VAL 72 2HG1 VAL 72 10.605 2.328 8.965 539 HG13 VAL 72 3HG1 VAL 72 12.232 2.479 8.274 540 HG21 VAL 72 3HG2 VAL 72 13.100 0.740 9.740 541 HG22 VAL 72 1HG2 VAL 72 11.529 0.413 10.501 542 HG23 VAL 72 2HG2 VAL 72 12.449 -0.901 9.732 543 H ALA 73 H ALA 73 7.986 0.795 7.457 544 HA ALA 73 HA ALA 73 8.176 0.022 4.576 545 HB1 ALA 73 1HB ALA 73 6.107 -0.634 5.727 546 HB2 ALA 73 2HB ALA 73 5.848 1.040 6.260 547 HB3 ALA 73 3HB ALA 73 5.780 0.638 4.532 548 H ASP 74 H ASP 74 9.272 1.480 3.448 549 HA ASP 74 HA ASP 74 9.299 4.357 4.122 550 HB2 ASP 74 1HB ASP 74 11.399 3.218 3.531 551 HB3 ASP 74 2HB ASP 74 10.722 2.761 1.972 552 H LEU 75 H LEU 75 7.865 5.684 3.315 553 HA LEU 75 HA LEU 75 5.965 4.825 1.238 554 HB2 LEU 75 1HB LEU 75 6.158 7.127 3.216 555 HB3 LEU 75 2HB LEU 75 5.021 7.171 1.890 556 HG LEU 75 HG LEU 75 3.834 5.253 2.672 557 HD11 LEU 75 1HD1 LEU 75 5.528 3.835 3.686 558 HD12 LEU 75 2HD1 LEU 75 5.727 5.015 5.010 559 HD13 LEU 75 3HD1 LEU 75 4.195 4.148 4.801 560 HD21 LEU 75 3HD2 LEU 75 2.802 6.265 4.563 561 HD22 LEU 75 1HD2 LEU 75 4.318 7.044 5.081 562 HD23 LEU 75 2HD2 LEU 75 3.478 7.609 3.635 563 H GLU 76 H GLU 76 8.835 6.766 1.359 564 HA GLU 76 HA GLU 76 8.197 8.608 -0.778 565 HB2 GLU 76 1HB GLU 76 10.848 7.705 0.426 566 HB3 GLU 76 2HB GLU 76 10.685 8.993 -0.757 567 HG2 GLU 76 1HG GLU 76 9.335 8.968 1.972 568 HG3 GLU 76 2HG GLU 76 10.870 9.752 1.648 569 H ASN 77 H ASN 77 10.193 5.645 -0.639 570 HA ASN 77 HA ASN 77 10.372 5.517 -3.604 571 HB2 ASN 77 1HB ASN 77 11.710 3.852 -1.431 572 HB3 ASN 77 2HB ASN 77 12.078 3.809 -3.152 573 HD21 ASN 77 2HD2 ASN 77 12.358 5.733 -0.175 574 HD22 ASN 77 1HD2 ASN 77 13.626 6.792 -0.796 575 H MET 78 H MET 78 8.384 4.377 -1.160 576 HA MET 78 HA MET 78 6.906 2.673 -0.812 577 HB2 MET 78 1HB MET 78 6.867 2.448 -3.826 578 HB3 MET 78 2HB MET 78 5.695 1.753 -2.702 579 HG2 MET 78 1HG MET 78 5.979 4.631 -2.248 580 HG3 MET 78 2HG MET 78 5.676 4.285 -3.943 581 HE1 MET 78 3HE MET 78 2.843 3.429 -0.434 582 HE2 MET 78 1HE MET 78 4.431 2.638 -0.546 583 HE3 MET 78 2HE MET 78 4.323 4.408 -0.378 584 H VAL 79 H VAL 79 8.808 1.686 0.202 585 HA VAL 79 HA VAL 79 9.160 -1.085 -0.785 586 HB VAL 79 HB VAL 79 11.609 -1.104 -0.284 587 HG11 VAL 79 1HG1 VAL 79 10.890 -0.995 -2.610 588 HG12 VAL 79 2HG1 VAL 79 10.906 0.787 -2.547 589 HG13 VAL 79 3HG1 VAL 79 12.410 -0.132 -2.343 590 HG21 VAL 79 3HG2 VAL 79 12.867 1.022 -0.250 591 HG22 VAL 79 1HG2 VAL 79 11.350 1.922 -0.163 592 HG23 VAL 79 2HG2 VAL 79 11.828 0.823 1.158 593 H GLN 80 H GLN 80 10.241 -2.479 0.892 594 HA GLN 80 HA GLN 80 9.926 -1.492 3.680 595 HB2 GLN 80 1HB GLN 80 9.114 -3.683 4.370 596 HB3 GLN 80 2HB GLN 80 8.021 -2.983 3.171 597 HG2 GLN 80 1HG GLN 80 8.904 -4.409 1.416 598 HG3 GLN 80 2HG GLN 80 10.227 -4.961 2.452 599 HE21 GLN 80 2HE2 GLN 80 9.487 -6.149 4.564 600 HE22 GLN 80 1HE2 GLN 80 8.282 -7.373 4.195 601 H TYR 81 H TYR 81 11.382 -2.333 5.202 602 HA TYR 81 HA TYR 81 13.385 -4.333 4.568 603 HB2 TYR 81 1HB TYR 81 15.328 -2.749 4.990 604 HB3 TYR 81 2HB TYR 81 14.549 -2.661 3.432 605 HD1 TYR 81 1HD TYR 81 14.590 -0.948 6.792 606 HD2 TYR 81 2HD TYR 81 13.787 -0.613 2.564 607 HE1 TYR 81 1HE TYR 81 14.358 1.502 7.038 608 HE2 TYR 81 2HE TYR 81 13.526 1.847 2.812 609 HH TYR 81 HH TYR 81 13.938 3.502 5.976 610 H ARG 82 H ARG 82 14.824 -4.799 6.434 611 HA ARG 82 HA ARG 82 13.491 -4.497 9.036 612 HB2 ARG 82 1HB ARG 82 16.137 -5.751 8.179 613 HB3 ARG 82 2HB ARG 82 15.588 -5.671 9.860 614 HG2 ARG 82 1HG ARG 82 13.515 -6.906 9.244 615 HG3 ARG 82 2HG ARG 82 14.136 -7.087 7.589 616 HD2 ARG 82 1HD ARG 82 16.073 -8.363 8.438 617 HD3 ARG 82 2HD ARG 82 15.553 -8.076 10.099 618 HE ARG 82 HE ARG 82 13.951 -9.714 9.943 619 HH11 ARG 82 1HH1 ARG 82 15.156 -9.250 6.604 620 HH12 ARG 82 2HH1 ARG 82 14.381 -10.763 6.123 621 HH21 ARG 82 1HH2 ARG 82 13.040 -11.618 9.082 622 HH22 ARG 82 2HH2 ARG 82 13.318 -11.947 7.367 623 H ARG 83 H ARG 83 14.255 -3.316 10.824 624 HA ARG 83 HA ARG 83 15.097 -0.703 10.433 625 HB2 ARG 83 1HB ARG 83 15.277 -2.503 12.874 626 HB3 ARG 83 2HB ARG 83 15.764 -0.806 12.925 627 HG2 ARG 83 1HG ARG 83 13.548 -0.049 12.296 628 HG3 ARG 83 2HG ARG 83 13.003 -1.713 12.043 629 HD2 ARG 83 1HD ARG 83 12.208 -0.818 14.213 630 HD3 ARG 83 2HD ARG 83 13.223 -2.239 14.394 631 HE ARG 83 HE ARG 83 14.881 -0.995 15.428 632 HH11 ARG 83 1HH1 ARG 83 12.326 1.278 14.409 633 HH12 ARG 83 2HH1 ARG 83 13.107 2.602 15.225 634 HH21 ARG 83 1HH2 ARG 83 15.763 0.757 16.476 635 HH22 ARG 83 2HH2 ARG 83 14.984 2.307 16.401 636 H ASN 84 H ASN 84 17.281 -3.453 11.001 637 HA ASN 84 HA ASN 84 19.632 -1.751 11.328 638 HB2 ASN 84 1HB ASN 84 19.215 -3.865 12.578 639 HB3 ASN 84 2HB ASN 84 19.357 -4.772 11.071 640 HD21 ASN 84 2HD2 ASN 84 21.196 -2.461 13.179 641 HD22 ASN 84 1HD2 ASN 84 22.758 -3.170 12.814 642 H GLU 85 H GLU 85 17.987 -2.755 8.527 643 HA GLU 85 HA GLU 85 20.444 -3.096 6.881 644 HB2 GLU 85 1HB GLU 85 18.829 -4.928 6.849 645 HB3 GLU 85 2HB GLU 85 17.535 -3.825 6.388 646 HG2 GLU 85 1HG GLU 85 18.344 -5.104 4.480 647 HG3 GLU 85 2HG GLU 85 18.591 -3.374 4.249 648 H HIS 86 H HIS 86 21.116 -1.437 5.692 649 HA HIS 86 HA HIS 86 19.380 0.915 5.201 650 HB2 HIS 86 1HB HIS 86 21.492 1.326 6.244 651 HB3 HIS 86 2HB HIS 86 22.355 0.332 5.071 652 HD2 HIS 86 2HD HIS 86 23.061 1.368 2.805 653 HE1 HIS 86 1HE HIS 86 21.588 5.319 3.421 654 HE2 HIS 86 2HE HIS 86 23.017 3.851 1.903 655 H GLY 87 H GLY 87 20.958 -1.699 3.392 656 HA2 GLY 87 1HA GLY 87 20.580 -0.340 0.762 657 HA3 GLY 87 2HA GLY 87 21.548 -1.789 1.109 658 H ARG 88 H ARG 88 20.154 -3.677 2.005 659 HA ARG 88 HA ARG 88 18.613 -4.458 -0.282 660 HB2 ARG 88 1HB ARG 88 20.114 -5.914 1.051 661 HB3 ARG 88 2HB ARG 88 18.942 -5.946 2.361 662 HG2 ARG 88 1HG ARG 88 18.156 -6.785 -0.457 663 HG3 ARG 88 2HG ARG 88 19.073 -7.875 0.581 664 HD2 ARG 88 1HD ARG 88 17.324 -7.810 2.294 665 HD3 ARG 88 2HD ARG 88 16.337 -6.737 1.288 666 HE ARG 88 HE ARG 88 16.691 -8.724 -0.448 667 HH11 ARG 88 1HH1 ARG 88 15.785 -9.080 3.000 668 HH12 ARG 88 2HH1 ARG 88 15.113 -10.678 2.653 669 HH21 ARG 88 1HH2 ARG 88 15.697 -10.778 -0.654 670 HH22 ARG 88 2HH2 ARG 88 15.073 -11.532 0.806 671 H ARG 89 H ARG 89 16.520 -4.429 -0.695 672 HA ARG 89 HA ARG 89 14.441 -4.028 1.348 673 HB2 ARG 89 1HB ARG 89 13.725 -1.868 0.489 674 HB3 ARG 89 2HB ARG 89 15.374 -1.796 1.085 675 HG2 ARG 89 1HG ARG 89 16.050 -2.176 -1.438 676 HG3 ARG 89 2HG ARG 89 14.378 -1.692 -1.767 677 HD2 ARG 89 1HD ARG 89 14.822 0.426 -0.482 678 HD3 ARG 89 2HD ARG 89 16.480 -0.069 -0.260 679 HE ARG 89 HE ARG 89 15.216 0.951 -2.702 680 HH11 ARG 89 1HH1 ARG 89 18.104 -0.741 -1.500 681 HH12 ARG 89 2HH1 ARG 89 19.024 -0.315 -2.914 682 HH21 ARG 89 1HH2 ARG 89 16.476 1.447 -4.474 683 HH22 ARG 89 2HH2 ARG 89 18.121 0.899 -4.562 684 H ARG 90 H ARG 90 12.349 -4.235 0.598 685 HA ARG 90 HA ARG 90 12.011 -5.662 -2.029 686 HB2 ARG 90 1HB ARG 90 11.934 -7.170 -0.148 687 HB3 ARG 90 2HB ARG 90 10.791 -6.151 0.708 688 HG2 ARG 90 1HG ARG 90 9.069 -6.606 -1.042 689 HG3 ARG 90 2HG ARG 90 10.215 -7.682 -1.860 690 HD2 ARG 90 1HD ARG 90 9.174 -8.002 0.996 691 HD3 ARG 90 2HD ARG 90 8.562 -8.872 -0.394 692 HE ARG 90 HE ARG 90 10.729 -9.981 -0.650 693 HH11 ARG 90 1HH1 ARG 90 10.146 -8.590 2.603 694 HH12 ARG 90 2HH1 ARG 90 11.445 -9.600 3.249 695 HH21 ARG 90 1HH2 ARG 90 12.264 -11.274 0.454 696 HH22 ARG 90 2HH2 ARG 90 12.486 -10.951 2.177 697 H LYS 91 H LYS 91 10.303 -5.075 -3.313 698 HA LYS 91 HA LYS 91 9.270 -2.416 -3.011 699 HB2 LYS 91 1HB LYS 91 9.141 -4.667 -4.970 700 HB3 LYS 91 2HB LYS 91 7.795 -3.568 -5.053 701 HG2 LYS 91 1HG LYS 91 10.730 -2.795 -5.311 702 HG3 LYS 91 2HG LYS 91 9.590 -3.004 -6.640 703 HD2 LYS 91 1HD LYS 91 9.526 -0.842 -4.510 704 HD3 LYS 91 2HD LYS 91 9.874 -0.648 -6.224 705 HE2 LYS 91 1HE LYS 91 7.583 -1.173 -6.834 706 HE3 LYS 91 2HE LYS 91 7.195 -1.638 -5.167 707 HZ1 LYS 91 3HZ LYS 91 6.418 0.556 -5.547 708 HZ2 LYS 91 1HZ LYS 91 7.644 0.614 -4.469 709 HZ3 LYS 91 2HZ LYS 91 7.902 1.097 -6.025 710 H ILE 92 H ILE 92 7.354 -1.555 -2.473 711 HA ILE 92 HA ILE 92 5.007 -3.331 -2.027 712 HB ILE 92 HB ILE 92 4.256 -2.188 -0.113 713 HG12 ILE 92 1HG1 ILE 92 6.555 -0.287 -0.482 714 HG13 ILE 92 2HG1 ILE 92 4.839 0.067 -0.686 715 HG21 ILE 92 1HG2 ILE 92 5.999 -3.939 0.253 716 HG22 ILE 92 2HG2 ILE 92 7.220 -2.654 0.381 717 HG23 ILE 92 3HG2 ILE 92 5.887 -2.735 1.547 718 HD11 ILE 92 3HD1 ILE 92 5.582 1.028 1.377 719 HD12 ILE 92 1HD1 ILE 92 4.539 -0.361 1.779 720 HD13 ILE 92 2HD1 ILE 92 6.312 -0.490 1.914 721 H LYS 93 H LYS 93 2.936 -2.074 -2.085 722 HA LYS 93 HA LYS 93 2.930 0.490 -3.475 723 HB2 LYS 93 1HB LYS 93 1.777 -0.177 -5.470 724 HB3 LYS 93 2HB LYS 93 3.249 -1.135 -5.373 725 HG2 LYS 93 1HG LYS 93 2.005 -3.095 -4.642 726 HG3 LYS 93 2HG LYS 93 0.517 -2.163 -4.458 727 HD2 LYS 93 1HD LYS 93 0.430 -1.706 -6.854 728 HD3 LYS 93 2HD LYS 93 1.911 -2.661 -7.110 729 HE2 LYS 93 1HE LYS 93 0.841 -4.690 -6.394 730 HE3 LYS 93 2HE LYS 93 -0.538 -3.817 -5.710 731 HZ1 LYS 93 3HZ LYS 93 -1.010 -4.862 -7.885 732 HZ2 LYS 93 1HZ LYS 93 -1.302 -3.260 -7.869 733 HZ3 LYS 93 2HZ LYS 93 0.050 -3.848 -8.612 734 H ARG 94 H ARG 94 0.748 1.307 -3.895 735 HA ARG 94 HA ARG 94 -1.380 0.266 -2.059 736 HB2 ARG 94 1HB ARG 94 -0.984 3.002 -3.349 737 HB3 ARG 94 2HB ARG 94 -2.501 2.466 -2.611 738 HG2 ARG 94 1HG ARG 94 -1.317 2.060 -0.472 739 HG3 ARG 94 2HG ARG 94 0.173 2.699 -1.181 740 HD2 ARG 94 1HD ARG 94 -0.794 4.464 0.100 741 HD3 ARG 94 2HD ARG 94 -1.027 4.886 -1.585 742 HE ARG 94 HE ARG 94 -3.098 3.976 0.388 743 HH11 ARG 94 1HH1 ARG 94 -2.534 5.214 -2.900 744 HH12 ARG 94 2HH1 ARG 94 -4.210 5.620 -3.103 745 HH21 ARG 94 1HH2 ARG 94 -5.147 4.650 0.109 746 HH22 ARG 94 2HH2 ARG 94 -5.688 5.259 -1.439 747 H ASP 95 H ASP 95 -3.416 -0.134 -2.931 748 HA ASP 95 HA ASP 95 -3.985 0.272 -5.775 749 HB2 ASP 95 1HB ASP 95 -2.887 -2.205 -5.067 750 HB3 ASP 95 2HB ASP 95 -4.634 -2.493 -4.994 751 H ILE 96 H ILE 96 -6.260 -0.971 -6.143 752 HA ILE 96 HA ILE 96 -8.134 -0.073 -3.982 753 HB ILE 96 HB ILE 96 -8.344 0.556 -6.946 754 HG12 ILE 96 1HG1 ILE 96 -6.583 1.933 -5.873 755 HG13 ILE 96 2HG1 ILE 96 -7.943 2.874 -6.441 756 HG21 ILE 96 1HG2 ILE 96 -10.570 0.337 -6.021 757 HG22 ILE 96 2HG2 ILE 96 -10.127 1.236 -4.550 758 HG23 ILE 96 3HG2 ILE 96 -10.258 2.068 -6.107 759 HD11 ILE 96 3HD1 ILE 96 -7.004 3.469 -4.123 760 HD12 ILE 96 1HD1 ILE 96 -8.764 3.256 -4.251 761 HD13 ILE 96 2HD1 ILE 96 -7.777 1.963 -3.560 762 H ILE 97 H ILE 97 -9.875 -1.266 -3.763 763 HA ILE 97 HA ILE 97 -10.111 -3.834 -5.248 764 HB ILE 97 HB ILE 97 -11.649 -2.824 -2.853 765 HG12 ILE 97 1HG1 ILE 97 -10.358 -4.910 -1.856 766 HG13 ILE 97 2HG1 ILE 97 -9.209 -4.578 -3.157 767 HG21 ILE 97 1HG2 ILE 97 -13.053 -4.302 -4.097 768 HG22 ILE 97 2HG2 ILE 97 -11.747 -5.507 -4.251 769 HG23 ILE 97 3HG2 ILE 97 -12.479 -5.149 -2.664 770 HD11 ILE 97 3HD1 ILE 97 -8.938 -3.514 -0.763 771 HD12 ILE 97 1HD1 ILE 97 -8.554 -2.541 -2.202 772 HD13 ILE 97 2HD1 ILE 97 -10.094 -2.321 -1.340 773 H ASP 98 H ASP 98 -11.715 -4.404 -6.546 774 HA ASP 98 HA ASP 98 -13.437 -2.266 -7.613 775 HB2 ASP 98 1HB ASP 98 -11.819 -3.438 -9.080 776 HB3 ASP 98 2HB ASP 98 -12.629 -4.967 -8.751 777 H ILE 99 H ILE 99 -13.792 -5.054 -5.760 778 HA ILE 99 HA ILE 99 -15.479 -5.987 -4.626 779 HB ILE 99 HB ILE 99 -17.393 -4.061 -5.938 780 HG12 ILE 99 1HG1 ILE 99 -15.619 -2.851 -4.683 781 HG13 ILE 99 2HG1 ILE 99 -17.217 -2.656 -3.994 782 HG21 ILE 99 1HG2 ILE 99 -18.633 -5.905 -5.026 783 HG22 ILE 99 2HG2 ILE 99 -17.766 -5.797 -3.482 784 HG23 ILE 99 3HG2 ILE 99 -18.852 -4.493 -3.997 785 HD11 ILE 99 3HD1 ILE 99 -15.455 -2.953 -2.281 786 HD12 ILE 99 1HD1 ILE 99 -16.691 -4.211 -2.176 787 HD13 ILE 99 2HD1 ILE 99 -15.111 -4.578 -2.903 788 HA PRO 100 HA PRO 100 -16.707 -9.028 -7.695 789 HB2 PRO 100 1HB PRO 100 -17.368 -11.099 -6.072 790 HB3 PRO 100 2HB PRO 100 -15.687 -10.513 -6.215 791 HG2 PRO 100 1HG PRO 100 -17.741 -9.799 -4.084 792 HG3 PRO 100 2HG PRO 100 -16.053 -10.353 -3.840 793 HD2 PRO 100 1HD PRO 100 -16.765 -7.697 -3.843 794 HD3 PRO 100 2HD PRO 100 -15.185 -8.257 -4.462 795 H LYS 101 H LYS 101 -18.593 -10.350 -8.266 796 HA LYS 101 HA LYS 101 -21.073 -8.939 -8.132 797 HB2 LYS 101 1HB LYS 101 -22.020 -10.827 -9.312 798 HB3 LYS 101 2HB LYS 101 -20.448 -10.402 -9.986 799 HG2 LYS 101 1HG LYS 101 -19.410 -12.313 -8.743 800 HG3 LYS 101 2HG LYS 101 -21.007 -12.743 -8.099 801 HD2 LYS 101 1HD LYS 101 -21.846 -13.092 -10.407 802 HD3 LYS 101 2HD LYS 101 -20.247 -12.660 -11.053 803 HE2 LYS 101 1HE LYS 101 -19.234 -14.557 -9.798 804 HE3 LYS 101 2HE LYS 101 -20.825 -14.987 -9.158 805 HZ1 LYS 101 3HZ LYS 101 -20.256 -16.332 -11.090 806 HZ2 LYS 101 1HZ LYS 101 -21.556 -15.409 -11.440 807 HZ3 LYS 101 2HZ LYS 101 -20.084 -15.011 -12.033 808 H LYS 102 H LYS 102 -19.762 -11.299 -5.944 809 HA LYS 102 HA LYS 102 -22.080 -12.123 -4.523 810 HB2 LYS 102 1HB LYS 102 -19.761 -13.069 -4.426 811 HB3 LYS 102 2HB LYS 102 -19.248 -11.664 -3.483 812 HG2 LYS 102 1HG LYS 102 -20.793 -12.295 -1.665 813 HG3 LYS 102 2HG LYS 102 -21.428 -13.633 -2.646 814 HD2 LYS 102 1HD LYS 102 -19.180 -14.687 -2.652 815 HD3 LYS 102 2HD LYS 102 -18.545 -13.339 -1.681 816 HE2 LYS 102 1HE LYS 102 -20.164 -13.886 0.128 817 HE3 LYS 102 2HE LYS 102 -20.798 -15.224 -0.838 818 HZ1 LYS 102 3HZ LYS 102 -19.170 -15.997 0.779 819 HZ2 LYS 102 1HZ LYS 102 -18.599 -16.260 -0.727 820 HZ3 LYS 102 2HZ LYS 102 -18.011 -15.022 0.167 821 H GLY 103 H GLY 103 -20.589 -8.978 -4.576 822 HA2 GLY 103 1HA GLY 103 -21.759 -7.915 -2.143 823 HA3 GLY 103 2HA GLY 103 -21.078 -7.002 -3.514 824 H VAL 104 H VAL 104 -23.232 -8.774 -5.085 825 HA VAL 104 HA VAL 104 -25.584 -6.978 -4.586 826 HB VAL 104 HB VAL 104 -24.737 -8.315 -7.194 827 HG11 VAL 104 1HG1 VAL 104 -27.187 -8.116 -7.062 828 HG12 VAL 104 2HG1 VAL 104 -27.045 -6.411 -6.579 829 HG13 VAL 104 3HG1 VAL 104 -26.550 -6.933 -8.204 830 HG21 VAL 104 3HG2 VAL 104 -24.346 -5.993 -8.000 831 HG22 VAL 104 1HG2 VAL 104 -24.655 -5.378 -6.361 832 HG23 VAL 104 2HG2 VAL 104 -23.250 -6.420 -6.685 833 H SER 105 H SER 105 -27.478 -7.943 -4.087 834 HA SER 105 HA SER 105 -28.134 -10.711 -4.675 835 HB2 SER 105 1HB SER 105 -28.267 -11.472 -2.335 836 HB3 SER 105 2HB SER 105 -26.609 -11.141 -2.833 837 HG SER 105 HG SER 105 -26.729 -9.133 -1.727 838 H GLY 106 H GLY 106 -30.251 -11.354 -3.734 839 HA2 GLY 106 1HA GLY 106 -32.182 -9.140 -3.964 840 HA3 GLY 106 2HA GLY 106 -32.527 -10.879 -3.942 841 HA PRO 107 HA PRO 107 -33.928 -8.865 0.077 842 HB2 PRO 107 1HB PRO 107 -36.317 -10.548 -0.684 843 HB3 PRO 107 2HB PRO 107 -36.277 -8.942 0.109 844 HG2 PRO 107 1HG PRO 107 -36.861 -9.137 -2.525 845 HG3 PRO 107 2HG PRO 107 -35.730 -7.861 -1.959 846 HD2 PRO 107 1HD PRO 107 -35.062 -10.555 -3.185 847 HD3 PRO 107 2HD PRO 107 -34.394 -8.940 -3.572 848 H SER 108 H SER 108 -34.250 -9.901 2.128 849 HA SER 108 HA SER 108 -32.819 -12.297 2.528 850 HB2 SER 108 1HB SER 108 -34.771 -10.962 4.434 851 HB3 SER 108 2HB SER 108 -33.433 -12.041 4.862 852 HG SER 108 HG SER 108 -32.877 -9.818 5.140 853 H SER 109 H SER 109 -36.036 -12.125 1.462 854 HA SER 109 HA SER 109 -36.961 -14.652 2.679 855 HB2 SER 109 1HB SER 109 -39.001 -14.169 1.327 856 HB3 SER 109 2HB SER 109 -38.568 -12.886 2.465 857 HG SER 109 HG SER 109 -39.127 -12.075 0.362 858 H GLY 110 H GLY 110 -34.981 -13.879 0.024 859 HA2 GLY 110 1HA GLY 110 -34.834 -16.574 -0.937 860 HA3 GLY 110 2HA GLY 110 -35.835 -15.631 -2.038 861 H5'1 ATP 201 H5" ATP 111 11.596 -14.314 6.043 862 H5'2 ATP 201 H5' ATP 111 11.343 -13.061 7.259 863 H4' ATP 201 H4' ATP 111 9.455 -14.507 7.317 864 H3' ATP 201 H3' ATP 111 9.847 -15.080 4.654 865 HO3' ATP 201 H3T ATP 111 7.538 -15.853 4.847 866 H2' ATP 201 H2' ATP 111 9.116 -12.986 3.855 867 HO2' ATP 201 2HO ATP 111 7.739 -14.501 2.792 868 H1' ATP 201 H1' ATP 111 6.820 -13.065 5.827 869 H8 ATP 201 8H ATP 111 9.477 -10.720 4.189 870 HN61 ATP 201 2H6 ATP 111 6.202 -7.060 3.225 871 HN62 ATP 201 1H6 ATP 111 4.592 -6.821 3.886 872 H2 ATP 201 2H ATP 111 3.483 -10.087 6.416 Start of MODEL 2 1 HA PRO 1 HA PRO 1 17.146 22.563 -4.647 2 HB2 PRO 1 1HB PRO 1 15.649 23.565 -2.228 3 HB3 PRO 1 2HB PRO 1 16.939 22.331 -2.346 4 HG2 PRO 1 1HG PRO 1 17.206 25.181 -1.826 5 HG3 PRO 1 2HG PRO 1 18.539 24.002 -2.007 6 HD2 PRO 1 1HD PRO 1 18.106 26.045 -3.812 7 HD3 PRO 1 2HD PRO 1 18.835 24.478 -4.240 8 H SER 2 H SER 2 15.474 20.874 -4.347 9 HA SER 2 HA SER 2 12.649 21.463 -4.631 10 HB2 SER 2 1HB SER 2 13.407 21.968 -6.938 11 HB3 SER 2 2HB SER 2 14.136 20.356 -7.049 12 HG SER 2 HG SER 2 11.971 20.571 -7.975 13 H SER 3 H SER 3 11.349 19.521 -4.557 14 HA SER 3 HA SER 3 12.644 17.136 -3.392 15 HB2 SER 3 1HB SER 3 10.286 16.380 -3.151 16 HB3 SER 3 2HB SER 3 10.608 17.936 -2.368 17 HG SER 3 HG SER 3 8.642 17.936 -3.618 18 H GLY 4 H GLY 4 11.824 18.234 -6.540 19 HA2 GLY 4 1HA GLY 4 12.233 17.236 -8.575 20 HA3 GLY 4 2HA GLY 4 12.708 15.744 -7.731 21 H SER 5 H SER 5 9.555 16.656 -6.805 22 HA SER 5 HA SER 5 8.073 15.402 -8.979 23 HB2 SER 5 1HB SER 5 9.225 13.463 -7.793 24 HB3 SER 5 2HB SER 5 8.239 13.852 -6.374 25 HG SER 5 HG SER 5 7.303 12.226 -7.769 26 H SER 6 H SER 6 5.742 14.867 -8.139 27 HA SER 6 HA SER 6 4.624 16.436 -5.998 28 HB2 SER 6 1HB SER 6 5.189 18.267 -7.632 29 HB3 SER 6 2HB SER 6 4.107 17.496 -8.803 30 HG SER 6 HG SER 6 3.080 19.181 -7.577 31 H GLY 7 H GLY 7 2.350 16.064 -5.759 32 HA2 GLY 7 1HA GLY 7 0.324 14.948 -5.999 33 HA3 GLY 7 2HA GLY 7 0.792 14.524 -7.654 34 H PHE 8 H PHE 8 0.132 12.426 -7.625 35 HA PHE 8 HA PHE 8 1.528 10.483 -5.855 36 HB2 PHE 8 1HB PHE 8 -1.399 10.635 -6.685 37 HB3 PHE 8 2HB PHE 8 -0.662 9.226 -5.970 38 HD1 PHE 8 1HD PHE 8 0.221 9.282 -3.611 39 HD2 PHE 8 2HD PHE 8 -2.040 12.544 -5.301 40 HE1 PHE 8 1HE PHE 8 -0.215 10.164 -1.330 41 HE2 PHE 8 2HE PHE 8 -2.469 13.424 -3.020 42 HZ PHE 8 HZ PHE 8 -1.558 12.239 -1.032 43 H LEU 9 H LEU 9 1.620 8.324 -6.719 44 HA LEU 9 HA LEU 9 2.578 8.296 -9.433 45 HB2 LEU 9 1HB LEU 9 3.604 7.036 -7.561 46 HB3 LEU 9 2HB LEU 9 2.137 6.071 -7.399 47 HG LEU 9 HG LEU 9 2.516 5.106 -9.661 48 HD11 LEU 9 1HD1 LEU 9 3.792 6.917 -10.751 49 HD12 LEU 9 2HD1 LEU 9 5.124 6.697 -9.594 50 HD13 LEU 9 3HD1 LEU 9 4.728 5.421 -10.765 51 HD21 LEU 9 3HD2 LEU 9 4.435 3.701 -9.029 52 HD22 LEU 9 1HD2 LEU 9 4.898 4.872 -7.773 53 HD23 LEU 9 2HD2 LEU 9 3.368 3.976 -7.642 54 H ASP 10 H ASP 10 1.700 7.543 -11.270 55 HA ASP 10 HA ASP 10 -0.673 5.833 -11.366 56 HB2 ASP 10 1HB ASP 10 -1.251 8.411 -11.239 57 HB3 ASP 10 2HB ASP 10 -0.693 8.432 -12.905 58 H LYS 11 H LYS 11 -1.174 5.418 -13.765 59 HA LYS 11 HA LYS 11 1.362 4.950 -15.281 60 HB2 LYS 11 1HB LYS 11 -0.802 3.052 -14.307 61 HB3 LYS 11 2HB LYS 11 0.052 2.669 -15.775 62 HG2 LYS 11 1HG LYS 11 2.112 3.403 -13.951 63 HG3 LYS 11 2HG LYS 11 0.953 2.466 -12.996 64 HD2 LYS 11 1HD LYS 11 1.091 0.637 -14.734 65 HD3 LYS 11 2HD LYS 11 2.239 1.637 -15.639 66 HE2 LYS 11 1HE LYS 11 3.529 0.030 -14.439 67 HE3 LYS 11 2HE LYS 11 3.797 1.598 -13.676 68 HZ1 LYS 11 3HZ LYS 11 3.422 -0.164 -12.043 69 HZ2 LYS 11 1HZ LYS 11 2.220 0.936 -11.935 70 HZ3 LYS 11 2HZ LYS 11 1.953 -0.505 -12.667 71 HA PRO 12 HA PRO 12 -0.594 6.256 -18.951 72 HB2 PRO 12 1HB PRO 12 0.483 4.711 -20.927 73 HB3 PRO 12 2HB PRO 12 1.420 5.906 -19.994 74 HG2 PRO 12 1HG PRO 12 1.152 2.922 -19.533 75 HG3 PRO 12 2HG PRO 12 2.677 3.873 -19.601 76 HD2 PRO 12 1HD PRO 12 1.472 3.199 -17.240 77 HD3 PRO 12 2HD PRO 12 2.316 4.746 -17.421 78 H THR 13 H THR 13 -1.791 5.569 -20.869 79 HA THR 13 HA THR 13 -3.540 3.300 -20.967 80 HB THR 13 HB THR 13 -4.193 4.230 -18.722 81 HG1 THR 13 1HG THR 13 -5.795 3.134 -19.599 82 HG21 THR 13 3HG2 THR 13 -5.239 6.294 -18.474 83 HG22 THR 13 1HG2 THR 13 -3.826 6.675 -19.442 84 HG23 THR 13 2HG2 THR 13 -5.417 6.562 -20.224 85 H LEU 14 H LEU 14 -5.668 4.032 -22.023 86 HA LEU 14 HA LEU 14 -5.095 5.788 -24.391 87 HB2 LEU 14 1HB LEU 14 -7.059 3.503 -23.971 88 HB3 LEU 14 2HB LEU 14 -6.834 4.362 -25.481 89 HG LEU 14 HG LEU 14 -4.365 3.057 -24.307 90 HD11 LEU 14 1HD1 LEU 14 -6.094 1.413 -23.868 91 HD12 LEU 14 2HD1 LEU 14 -6.639 1.485 -25.562 92 HD13 LEU 14 3HD1 LEU 14 -5.014 0.862 -25.169 93 HD21 LEU 14 3HD2 LEU 14 -3.888 2.599 -26.658 94 HD22 LEU 14 1HD2 LEU 14 -5.486 3.211 -27.138 95 HD23 LEU 14 2HD2 LEU 14 -4.278 4.316 -26.443 96 H LEU 15 H LEU 15 -7.067 5.359 -21.582 97 HA LEU 15 HA LEU 15 -9.389 6.845 -22.525 98 HB2 LEU 15 1HB LEU 15 -8.743 6.201 -19.636 99 HB3 LEU 15 2HB LEU 15 -10.308 6.511 -20.357 100 HG LEU 15 HG LEU 15 -8.596 4.022 -20.738 101 HD11 LEU 15 1HD1 LEU 15 -9.777 4.220 -18.571 102 HD12 LEU 15 2HD1 LEU 15 -11.317 4.451 -19.430 103 HD13 LEU 15 3HD1 LEU 15 -10.443 2.909 -19.561 104 HD21 LEU 15 3HD2 LEU 15 -10.518 3.107 -22.031 105 HD22 LEU 15 1HD2 LEU 15 -11.283 4.713 -22.013 106 HD23 LEU 15 2HD2 LEU 15 -9.740 4.455 -22.864 107 H SER 16 H SER 16 -10.241 8.452 -20.697 108 HA SER 16 HA SER 16 -8.516 10.851 -20.813 109 HB2 SER 16 1HB SER 16 -11.462 10.248 -20.546 110 HB3 SER 16 2HB SER 16 -10.851 11.783 -20.065 111 HG SER 16 HG SER 16 -10.629 10.600 -22.662 112 HA PRO 17 HA PRO 17 -7.721 10.979 -16.472 113 HB2 PRO 17 1HB PRO 17 -8.025 13.632 -15.828 114 HB3 PRO 17 2HB PRO 17 -6.669 12.996 -16.810 115 HG2 PRO 17 1HG PRO 17 -9.259 14.240 -17.804 116 HG3 PRO 17 2HG PRO 17 -7.577 14.624 -18.310 117 HD2 PRO 17 1HD PRO 17 -9.112 12.944 -19.760 118 HD3 PRO 17 2HD PRO 17 -7.368 12.616 -19.517 119 H GLU 18 H GLU 18 -10.832 12.156 -17.605 120 HA GLU 18 HA GLU 18 -12.050 12.070 -14.937 121 HB2 GLU 18 1HB GLU 18 -14.075 12.825 -16.044 122 HB3 GLU 18 2HB GLU 18 -12.695 13.843 -16.445 123 HG2 GLU 18 1HG GLU 18 -12.484 12.723 -18.647 124 HG3 GLU 18 2HG GLU 18 -13.846 11.669 -18.253 125 H GLU 19 H GLU 19 -11.395 9.699 -17.294 126 HA GLU 19 HA GLU 19 -13.717 7.977 -16.671 127 HB2 GLU 19 1HB GLU 19 -11.279 7.751 -18.462 128 HB3 GLU 19 2HB GLU 19 -12.257 6.352 -18.087 129 HG2 GLU 19 1HG GLU 19 -13.299 8.922 -19.352 130 HG3 GLU 19 2HG GLU 19 -12.792 7.490 -20.248 131 H LEU 20 H LEU 20 -10.191 7.914 -16.382 132 HA LEU 20 HA LEU 20 -9.864 5.533 -14.897 133 HB2 LEU 20 1HB LEU 20 -8.162 8.055 -14.817 134 HB3 LEU 20 2HB LEU 20 -7.597 6.438 -14.447 135 HG LEU 20 HG LEU 20 -8.731 6.969 -17.217 136 HD11 LEU 20 1HD1 LEU 20 -7.228 8.856 -16.619 137 HD12 LEU 20 2HD1 LEU 20 -5.901 7.691 -16.427 138 HD13 LEU 20 3HD1 LEU 20 -6.713 7.907 -18.011 139 HD21 LEU 20 3HD2 LEU 20 -7.203 5.245 -17.887 140 HD22 LEU 20 1HD2 LEU 20 -6.430 5.218 -16.287 141 HD23 LEU 20 2HD2 LEU 20 -8.108 4.661 -16.486 142 H LYS 21 H LYS 21 -9.949 8.908 -13.730 143 HA LYS 21 HA LYS 21 -9.890 8.245 -10.930 144 HB2 LYS 21 1HB LYS 21 -10.620 10.714 -12.501 145 HB3 LYS 21 2HB LYS 21 -10.968 10.638 -10.784 146 HG2 LYS 21 1HG LYS 21 -8.825 11.741 -11.281 147 HG3 LYS 21 2HG LYS 21 -8.688 10.382 -10.167 148 HD2 LYS 21 1HD LYS 21 -7.653 8.982 -11.835 149 HD3 LYS 21 2HD LYS 21 -8.058 10.128 -13.125 150 HE2 LYS 21 1HE LYS 21 -6.609 11.843 -12.009 151 HE3 LYS 21 2HE LYS 21 -6.151 10.646 -10.792 152 HZ1 LYS 21 3HZ LYS 21 -4.528 10.865 -12.617 153 HZ2 LYS 21 1HZ LYS 21 -5.073 9.343 -12.526 154 HZ3 LYS 21 2HZ LYS 21 -5.628 10.344 -13.703 155 H ALA 22 H ALA 22 -12.625 8.417 -13.201 156 HA ALA 22 HA ALA 22 -14.661 8.194 -11.123 157 HB1 ALA 22 1HB ALA 22 -15.182 9.232 -13.266 158 HB2 ALA 22 2HB ALA 22 -14.794 7.729 -14.135 159 HB3 ALA 22 3HB ALA 22 -16.182 7.791 -13.031 160 H ALA 23 H ALA 23 -12.941 5.799 -13.187 161 HA ALA 23 HA ALA 23 -14.329 3.479 -12.283 162 HB1 ALA 23 1HB ALA 23 -12.729 3.600 -14.214 163 HB2 ALA 23 2HB ALA 23 -11.387 3.774 -13.052 164 HB3 ALA 23 3HB ALA 23 -12.343 2.284 -13.085 165 H SER 24 H SER 24 -11.587 5.225 -10.863 166 HA SER 24 HA SER 24 -11.198 3.415 -8.628 167 HB2 SER 24 1HB SER 24 -9.493 4.921 -9.620 168 HB3 SER 24 2HB SER 24 -10.366 6.319 -8.968 169 HG SER 24 HG SER 24 -8.661 5.622 -7.566 170 H ARG 25 H ARG 25 -12.709 6.673 -8.805 171 HA ARG 25 HA ARG 25 -13.576 6.745 -6.102 172 HB2 ARG 25 1HB ARG 25 -13.199 8.684 -7.599 173 HB3 ARG 25 2HB ARG 25 -14.645 8.260 -8.509 174 HG2 ARG 25 1HG ARG 25 -15.056 10.082 -6.956 175 HG3 ARG 25 2HG ARG 25 -16.057 8.695 -6.545 176 HD2 ARG 25 1HD ARG 25 -14.529 8.122 -4.689 177 HD3 ARG 25 2HD ARG 25 -13.448 9.442 -5.135 178 HE ARG 25 HE ARG 25 -16.025 9.589 -3.734 179 HH11 ARG 25 1HH1 ARG 25 -13.614 11.543 -5.444 180 HH12 ARG 25 2HH1 ARG 25 -14.158 13.018 -4.701 181 HH21 ARG 25 1HH2 ARG 25 -16.670 11.524 -2.821 182 HH22 ARG 25 2HH2 ARG 25 -15.863 13.005 -3.242 183 H GLY 26 H GLY 26 -15.208 5.539 -9.005 184 HA2 GLY 26 1HA GLY 26 -17.840 5.198 -7.905 185 HA3 GLY 26 2HA GLY 26 -17.174 4.394 -9.348 186 H ASN 27 H ASN 27 -14.936 3.285 -7.570 187 HA ASN 27 HA ASN 27 -16.412 1.029 -6.302 188 HB2 ASN 27 1HB ASN 27 -13.520 1.494 -7.107 189 HB3 ASN 27 2HB ASN 27 -13.968 0.236 -5.959 190 HD21 ASN 27 2HD2 ASN 27 -13.577 0.839 -9.294 191 HD22 ASN 27 1HD2 ASN 27 -14.321 -0.681 -9.798 192 H GLY 28 H GLY 28 -13.625 3.147 -5.384 193 HA2 GLY 28 1HA GLY 28 -13.354 4.484 -3.499 194 HA3 GLY 28 2HA GLY 28 -14.956 3.984 -2.900 195 H GLU 29 H GLU 29 -13.223 1.262 -3.670 196 HA GLU 29 HA GLU 29 -12.493 0.565 -0.917 197 HB2 GLU 29 1HB GLU 29 -13.149 -0.844 -3.352 198 HB3 GLU 29 2HB GLU 29 -11.510 -1.230 -2.957 199 HG2 GLU 29 1HG GLU 29 -13.049 -2.843 -1.898 200 HG3 GLU 29 2HG GLU 29 -12.196 -1.921 -0.664 201 H TYR 30 H TYR 30 -10.226 -0.726 -0.913 202 HA TYR 30 HA TYR 30 -7.997 0.446 -2.300 203 HB2 TYR 30 1HB TYR 30 -7.032 1.702 -0.455 204 HB3 TYR 30 2HB TYR 30 -8.564 2.395 -0.937 205 HD1 TYR 30 1HD TYR 30 -10.654 1.840 0.463 206 HD2 TYR 30 2HD TYR 30 -6.663 0.885 1.770 207 HE1 TYR 30 1HE TYR 30 -11.493 1.564 2.796 208 HE2 TYR 30 2HE TYR 30 -7.489 0.606 4.106 209 HH TYR 30 HH TYR 30 -10.952 1.037 4.968 210 H ALA 31 H ALA 31 -6.073 -0.555 -1.877 211 HA ALA 31 HA ALA 31 -5.707 -2.338 0.435 212 HB1 ALA 31 1HB ALA 31 -6.813 -3.902 -0.961 213 HB2 ALA 31 2HB ALA 31 -6.028 -3.310 -2.433 214 HB3 ALA 31 3HB ALA 31 -5.102 -4.235 -1.222 215 H TRP 32 H TRP 32 -3.594 -2.940 0.794 216 HA TRP 32 HA TRP 32 -1.459 -1.632 -0.847 217 HB2 TRP 32 1HB TRP 32 -1.535 -2.358 2.103 218 HB3 TRP 32 2HB TRP 32 -0.060 -1.995 1.228 219 HD1 TRP 32 HD TRP 32 -3.362 -0.190 2.102 220 HE1 TRP 32 1HE TRP 32 -2.856 2.290 2.477 221 HE3 TRP 32 3HE TRP 32 1.628 -0.181 0.878 222 HZ2 TRP 32 2HZ TRP 32 -0.569 4.061 2.310 223 HZ3 TRP 32 3HZ TRP 32 2.928 1.927 1.011 224 HH2 TRP 32 HH TRP 32 1.839 4.043 1.705 225 H TYR 33 H TYR 33 0.288 -2.881 -1.447 226 HA TYR 33 HA TYR 33 0.216 -5.821 -0.950 227 HB2 TYR 33 1HB TYR 33 0.426 -4.440 -3.644 228 HB3 TYR 33 2HB TYR 33 0.819 -6.122 -3.386 229 HD1 TYR 33 2HD TYR 33 -2.010 -3.663 -3.230 230 HD2 TYR 33 1HD TYR 33 -0.812 -7.792 -3.599 231 HE1 TYR 33 2HE TYR 33 -4.349 -4.292 -3.771 232 HE2 TYR 33 1HE TYR 33 -3.157 -8.424 -4.125 233 HH TYR 33 HH TYR 33 -5.801 -6.002 -4.293 234 H TYR 34 H TYR 34 2.197 -6.911 -1.430 235 HA TYR 34 HA TYR 34 4.665 -5.287 -1.734 236 HB2 TYR 34 1HB TYR 34 5.747 -6.438 0.070 237 HB3 TYR 34 2HB TYR 34 4.311 -5.630 0.668 238 HD1 TYR 34 2HD TYR 34 2.262 -6.963 1.288 239 HD2 TYR 34 1HD TYR 34 6.006 -8.829 0.253 240 HE1 TYR 34 2HE TYR 34 1.491 -9.080 2.336 241 HE2 TYR 34 1HE TYR 34 5.242 -10.950 1.305 242 HH TYR 34 HH TYR 34 3.538 -12.032 2.411 243 H GLU 35 H GLU 35 6.433 -6.452 -2.709 244 HA GLU 35 HA GLU 35 5.588 -8.713 -4.379 245 HB2 GLU 35 1HB GLU 35 8.275 -7.316 -4.100 246 HB3 GLU 35 2HB GLU 35 7.972 -8.716 -5.138 247 HG2 GLU 35 1HG GLU 35 6.027 -7.304 -6.143 248 HG3 GLU 35 2HG GLU 35 6.863 -5.926 -5.416 249 H GLY 36 H GLY 36 5.882 -10.772 -4.102 250 HA2 GLY 36 1HA GLY 36 7.954 -11.865 -2.240 251 HA3 GLY 36 2HA GLY 36 6.312 -12.534 -2.294 252 H ARG 37 H ARG 37 7.661 -14.463 -2.749 253 HA ARG 37 HA ARG 37 9.342 -14.890 -4.882 254 HB2 ARG 37 1HB ARG 37 8.886 -16.377 -2.928 255 HB3 ARG 37 2HB ARG 37 7.372 -16.875 -3.683 256 HG2 ARG 37 1HG ARG 37 8.731 -17.779 -5.639 257 HG3 ARG 37 2HG ARG 37 10.199 -17.302 -4.773 258 HD2 ARG 37 1HD ARG 37 9.839 -19.653 -4.414 259 HD3 ARG 37 2HD ARG 37 9.510 -18.815 -2.886 260 HE ARG 37 HE ARG 37 7.102 -19.092 -4.453 261 HH11 ARG 37 1HH1 ARG 37 9.197 -21.089 -2.410 262 HH12 ARG 37 2HH1 ARG 37 7.899 -22.175 -2.006 263 HH21 ARG 37 1HH2 ARG 37 5.511 -20.477 -3.897 264 HH22 ARG 37 2HH2 ARG 37 5.820 -21.835 -2.849 265 H ASN 38 H ASN 38 5.809 -15.326 -4.965 266 HA ASN 38 HA ASN 38 5.903 -16.050 -7.846 267 HB2 ASN 38 1HB ASN 38 3.889 -16.545 -5.638 268 HB3 ASN 38 2HB ASN 38 3.556 -16.883 -7.334 269 HD21 ASN 38 2HD2 ASN 38 4.522 -18.726 -8.310 270 HD22 ASN 38 1HD2 ASN 38 5.454 -19.866 -7.356 271 H GLY 39 H GLY 39 5.319 -13.205 -6.181 272 HA2 GLY 39 1HA GLY 39 4.830 -11.445 -8.080 273 HA3 GLY 39 2HA GLY 39 3.222 -12.157 -8.015 274 H TRP 40 H TRP 40 2.571 -9.949 -7.460 275 HA TRP 40 HA TRP 40 3.144 -8.797 -4.873 276 HB2 TRP 40 1HB TRP 40 0.804 -8.406 -6.780 277 HB3 TRP 40 2HB TRP 40 1.152 -7.408 -5.378 278 HD1 TRP 40 HD TRP 40 2.101 -7.900 -8.969 279 HE1 TRP 40 1HE TRP 40 3.768 -6.122 -9.722 280 HE3 TRP 40 3HE TRP 40 3.216 -5.866 -4.407 281 HZ2 TRP 40 2HZ TRP 40 5.275 -3.949 -8.519 282 HZ3 TRP 40 3HZ TRP 40 4.773 -3.951 -4.245 283 HH2 TRP 40 HH TRP 40 5.785 -2.951 -6.278 284 H TRP 41 H TRP 41 2.219 -9.121 -2.947 285 HA TRP 41 HA TRP 41 -0.278 -10.734 -2.685 286 HB2 TRP 41 1HB TRP 41 2.258 -10.961 -1.015 287 HB3 TRP 41 2HB TRP 41 0.739 -11.805 -0.698 288 HD1 TRP 41 HD TRP 41 3.943 -12.452 -2.242 289 HE1 TRP 41 1HE TRP 41 3.880 -14.251 -4.060 290 HE3 TRP 41 3HE TRP 41 -1.136 -12.871 -2.810 291 HZ2 TRP 41 2HZ TRP 41 1.897 -15.495 -5.757 292 HZ3 TRP 41 3HZ TRP 41 -2.078 -14.327 -4.560 293 HH2 TRP 41 HH TRP 41 -0.578 -15.647 -6.053 294 H GLN 42 H GLN 42 -1.666 -10.146 -1.008 295 HA GLN 42 HA GLN 42 -1.548 -7.266 -0.509 296 HB2 GLN 42 1HB GLN 42 -3.537 -8.644 -1.410 297 HB3 GLN 42 2HB GLN 42 -3.772 -9.181 0.258 298 HG2 GLN 42 1HG GLN 42 -3.918 -6.726 0.917 299 HG3 GLN 42 2HG GLN 42 -3.849 -6.314 -0.794 300 HE21 GLN 42 2HE2 GLN 42 -6.041 -6.047 1.393 301 HE22 GLN 42 1HE2 GLN 42 -7.443 -6.751 0.606 302 H TYR 43 H TYR 43 -1.512 -6.213 1.450 303 HA TYR 43 HA TYR 43 -0.600 -7.571 3.865 304 HB2 TYR 43 1HB TYR 43 -1.514 -4.758 3.195 305 HB3 TYR 43 2HB TYR 43 -1.148 -5.243 4.843 306 HD1 TYR 43 2HD TYR 43 1.150 -6.033 5.468 307 HD2 TYR 43 1HD TYR 43 0.274 -4.252 1.659 308 HE1 TYR 43 2HE TYR 43 3.551 -5.488 5.177 309 HE2 TYR 43 1HE TYR 43 2.679 -3.708 1.339 310 HH TYR 43 HH TYR 43 5.159 -4.676 3.720 311 H ASP 44 H ASP 44 -1.705 -7.661 5.879 312 HA ASP 44 HA ASP 44 -4.590 -8.229 5.750 313 HB2 ASP 44 1HB ASP 44 -2.776 -9.420 7.165 314 HB3 ASP 44 2HB ASP 44 -2.929 -8.061 8.276 315 H GLU 45 H GLU 45 -6.080 -7.176 7.236 316 HA GLU 45 HA GLU 45 -6.057 -4.304 6.762 317 HB2 GLU 45 1HB GLU 45 -8.266 -4.306 7.823 318 HB3 GLU 45 2HB GLU 45 -8.124 -5.488 6.522 319 HG2 GLU 45 1HG GLU 45 -7.921 -7.320 8.138 320 HG3 GLU 45 2HG GLU 45 -7.895 -6.177 9.481 321 H ARG 46 H ARG 46 -5.043 -6.254 9.441 322 HA ARG 46 HA ARG 46 -5.079 -4.213 11.512 323 HB2 ARG 46 1HB ARG 46 -3.334 -6.693 11.155 324 HB3 ARG 46 2HB ARG 46 -3.264 -5.609 12.540 325 HG2 ARG 46 1HG ARG 46 -4.605 -7.294 13.294 326 HG3 ARG 46 2HG ARG 46 -5.758 -6.013 12.854 327 HD2 ARG 46 1HD ARG 46 -6.329 -7.200 10.799 328 HD3 ARG 46 2HD ARG 46 -5.020 -8.360 11.088 329 HE ARG 46 HE ARG 46 -6.831 -8.414 13.288 330 HH11 ARG 46 1HH1 ARG 46 -6.700 -9.382 9.879 331 HH12 ARG 46 2HH1 ARG 46 -7.905 -10.626 10.093 332 HH21 ARG 46 1HH2 ARG 46 -8.369 -10.052 13.496 333 HH22 ARG 46 2HH2 ARG 46 -8.830 -11.000 12.115 334 H THR 47 H THR 47 -2.934 -5.178 9.018 335 HA THR 47 HA THR 47 -0.673 -3.469 9.794 336 HB THR 47 HB THR 47 -0.932 -5.394 7.450 337 HG1 THR 47 1HG THR 47 0.087 -6.823 8.956 338 HG21 THR 47 3HG2 THR 47 1.561 -5.511 7.765 339 HG22 THR 47 1HG2 THR 47 0.994 -3.903 7.251 340 HG23 THR 47 2HG2 THR 47 1.429 -4.182 8.946 341 H SER 48 H SER 48 -2.738 -3.758 6.828 342 HA SER 48 HA SER 48 -1.394 -1.683 5.419 343 HB2 SER 48 1HB SER 48 -3.303 -1.706 3.919 344 HB3 SER 48 2HB SER 48 -2.807 -3.354 4.334 345 HG SER 48 HG SER 48 -5.103 -3.075 4.445 346 H ARG 49 H ARG 49 -3.952 -1.460 7.843 347 HA ARG 49 HA ARG 49 -4.636 1.258 7.353 348 HB2 ARG 49 1HB ARG 49 -5.738 1.274 9.411 349 HB3 ARG 49 2HB ARG 49 -5.914 -0.337 8.753 350 HG2 ARG 49 1HG ARG 49 -5.481 -0.791 10.969 351 HG3 ARG 49 2HG ARG 49 -3.914 -1.006 10.222 352 HD2 ARG 49 1HD ARG 49 -3.877 0.140 12.462 353 HD3 ARG 49 2HD ARG 49 -3.078 1.019 11.184 354 HE ARG 49 HE ARG 49 -5.886 1.747 11.732 355 HH11 ARG 49 1HH1 ARG 49 -2.488 2.611 12.388 356 HH12 ARG 49 2HH1 ARG 49 -2.883 4.325 12.462 357 HH21 ARG 49 1HH2 ARG 49 -6.278 3.960 12.019 358 HH22 ARG 49 2HH2 ARG 49 -4.952 5.021 12.406 359 H GLU 50 H GLU 50 -1.763 -0.126 8.914 360 HA GLU 50 HA GLU 50 -1.002 2.333 10.282 361 HB2 GLU 50 1HB GLU 50 0.761 0.033 9.340 362 HB3 GLU 50 2HB GLU 50 1.225 1.283 10.479 363 HG2 GLU 50 1HG GLU 50 -1.062 -0.663 11.021 364 HG3 GLU 50 2HG GLU 50 0.612 -0.992 11.432 365 H LEU 51 H LEU 51 -0.347 0.888 7.134 366 HA LEU 51 HA LEU 51 1.512 2.841 6.139 367 HB2 LEU 51 1HB LEU 51 -0.307 0.971 4.572 368 HB3 LEU 51 2HB LEU 51 1.234 1.645 4.060 369 HG LEU 51 HG LEU 51 0.892 -0.404 6.301 370 HD11 LEU 51 1HD1 LEU 51 0.297 -1.287 4.074 371 HD12 LEU 51 2HD1 LEU 51 1.905 -0.827 3.475 372 HD13 LEU 51 3HD1 LEU 51 1.739 -2.043 4.763 373 HD21 LEU 51 3HD2 LEU 51 3.357 -0.649 6.084 374 HD22 LEU 51 1HD2 LEU 51 3.379 0.723 4.951 375 HD23 LEU 51 2HD2 LEU 51 2.891 0.961 6.645 376 H GLU 52 H GLU 52 -2.011 2.376 5.705 377 HA GLU 52 HA GLU 52 -2.496 4.719 4.148 378 HB2 GLU 52 1HB GLU 52 -4.089 2.838 4.415 379 HB3 GLU 52 2HB GLU 52 -4.338 3.295 6.107 380 HG2 GLU 52 1HG GLU 52 -5.241 5.499 5.371 381 HG3 GLU 52 2HG GLU 52 -4.933 5.053 3.688 382 H ASP 53 H ASP 53 -2.241 4.343 7.726 383 HA ASP 53 HA ASP 53 -3.364 6.951 8.304 384 HB2 ASP 53 1HB ASP 53 -3.280 4.898 9.783 385 HB3 ASP 53 2HB ASP 53 -1.571 5.196 10.033 386 H ALA 54 H ALA 54 -0.158 5.626 7.920 387 HA ALA 54 HA ALA 54 1.422 7.768 8.862 388 HB1 ALA 54 1HB ALA 54 2.264 5.575 8.617 389 HB2 ALA 54 2HB ALA 54 1.902 5.526 6.882 390 HB3 ALA 54 3HB ALA 54 3.203 6.593 7.484 391 H PHE 55 H PHE 55 0.552 7.162 5.378 392 HA PHE 55 HA PHE 55 1.855 9.592 4.530 393 HB2 PHE 55 1HB PHE 55 1.312 9.003 2.434 394 HB3 PHE 55 2HB PHE 55 0.977 7.441 3.151 395 HD1 PHE 55 1HD PHE 55 -1.405 6.797 3.668 396 HD2 PHE 55 2HD PHE 55 -0.417 10.334 1.429 397 HE1 PHE 55 1HE PHE 55 -3.780 7.012 2.964 398 HE2 PHE 55 2HE PHE 55 -2.775 10.516 0.665 399 HZ PHE 55 HZ PHE 55 -4.470 8.876 1.457 400 H SER 56 H SER 56 -1.210 8.930 5.931 401 HA SER 56 HA SER 56 -2.499 11.472 5.251 402 HB2 SER 56 1HB SER 56 -3.584 9.176 5.803 403 HB3 SER 56 2HB SER 56 -3.338 9.625 7.495 404 HG SER 56 HG SER 56 -5.411 10.280 6.685 405 H LYS 57 H LYS 57 -0.619 10.229 8.019 406 HA LYS 57 HA LYS 57 -0.976 12.538 9.753 407 HB2 LYS 57 1HB LYS 57 0.999 10.237 9.590 408 HB3 LYS 57 2HB LYS 57 1.153 11.511 10.799 409 HG2 LYS 57 1HG LYS 57 -0.755 10.875 11.973 410 HG3 LYS 57 2HG LYS 57 -1.488 10.064 10.588 411 HD2 LYS 57 1HD LYS 57 -0.692 8.412 12.247 412 HD3 LYS 57 2HD LYS 57 0.097 8.251 10.691 413 HE2 LYS 57 1HE LYS 57 1.936 8.042 12.020 414 HE3 LYS 57 2HE LYS 57 1.986 9.771 11.735 415 HZ1 LYS 57 3HZ LYS 57 2.237 9.307 14.101 416 HZ2 LYS 57 1HZ LYS 57 0.833 10.108 13.868 417 HZ3 LYS 57 2HZ LYS 57 0.819 8.499 14.154 418 H GLY 58 H GLY 58 1.537 11.530 7.422 419 HA2 GLY 58 1HA GLY 58 2.427 13.385 5.995 420 HA3 GLY 58 2HA GLY 58 2.747 14.285 7.495 421 H LYS 59 H LYS 59 3.451 11.136 8.342 422 HA LYS 59 HA LYS 59 6.291 11.541 8.047 423 HB2 LYS 59 1HB LYS 59 6.439 9.155 8.875 424 HB3 LYS 59 2HB LYS 59 5.684 10.313 9.953 425 HG2 LYS 59 1HG LYS 59 3.497 9.482 9.564 426 HG3 LYS 59 2HG LYS 59 4.018 8.614 8.114 427 HD2 LYS 59 1HD LYS 59 3.608 7.098 10.020 428 HD3 LYS 59 2HD LYS 59 5.254 7.014 9.422 429 HE2 LYS 59 1HE LYS 59 6.001 8.490 11.305 430 HE3 LYS 59 2HE LYS 59 4.347 8.497 11.925 431 HZ1 LYS 59 3HZ LYS 59 5.632 6.807 13.048 432 HZ2 LYS 59 1HZ LYS 59 4.549 6.023 12.101 433 HZ3 LYS 59 2HZ LYS 59 6.114 6.126 11.648 434 H LYS 60 H LYS 60 7.755 10.334 6.921 435 HA LYS 60 HA LYS 60 6.880 9.635 4.168 436 HB2 LYS 60 1HB LYS 60 9.026 10.267 3.468 437 HB3 LYS 60 2HB LYS 60 8.532 11.471 4.640 438 HG2 LYS 60 1HG LYS 60 9.971 10.288 6.332 439 HG3 LYS 60 2HG LYS 60 10.517 9.195 5.043 440 HD2 LYS 60 1HD LYS 60 11.378 11.132 3.762 441 HD3 LYS 60 2HD LYS 60 10.849 12.225 5.058 442 HE2 LYS 60 1HE LYS 60 12.338 11.036 6.662 443 HE3 LYS 60 2HE LYS 60 12.869 9.952 5.367 444 HZ1 LYS 60 3HZ LYS 60 14.434 11.771 5.699 445 HZ2 LYS 60 1HZ LYS 60 13.776 11.891 4.209 446 HZ3 LYS 60 2HZ LYS 60 13.285 12.892 5.407 447 H ASN 61 H ASN 61 7.462 7.951 6.923 448 HA ASN 61 HA ASN 61 7.563 5.417 5.654 449 HB2 ASN 61 1HB ASN 61 9.668 4.531 6.454 450 HB3 ASN 61 2HB ASN 61 9.994 5.905 5.409 451 HD21 ASN 61 2HD2 ASN 61 10.248 8.017 6.567 452 HD22 ASN 61 1HD2 ASN 61 11.169 8.037 8.062 453 H THR 62 H THR 62 6.878 3.861 7.018 454 HA THR 62 HA THR 62 6.626 4.460 9.946 455 HB THR 62 HB THR 62 4.552 5.036 8.632 456 HG1 THR 62 1HG THR 62 3.306 4.021 10.341 457 HG21 THR 62 3HG2 THR 62 2.999 3.221 8.117 458 HG22 THR 62 1HG2 THR 62 4.484 2.982 7.184 459 HG23 THR 62 2HG2 THR 62 4.171 1.995 8.629 460 H GLU 63 H GLU 63 5.548 2.370 11.006 461 HA GLU 63 HA GLU 63 7.412 0.116 10.378 462 HB2 GLU 63 1HB GLU 63 6.831 1.542 13.006 463 HB3 GLU 63 2HB GLU 63 7.569 -0.061 12.919 464 HG2 GLU 63 1HG GLU 63 9.390 0.795 11.542 465 HG3 GLU 63 2HG GLU 63 8.705 2.420 11.563 466 H MET 64 H MET 64 6.762 -1.904 10.824 467 HA MET 64 HA MET 64 4.087 -2.499 11.926 468 HB2 MET 64 1HB MET 64 3.491 -3.746 9.819 469 HB3 MET 64 2HB MET 64 3.468 -1.989 9.679 470 HG2 MET 64 1HG MET 64 5.638 -1.995 8.558 471 HG3 MET 64 2HG MET 64 5.824 -3.725 8.851 472 HE1 MET 64 3HE MET 64 5.762 -3.556 5.102 473 HE2 MET 64 1HE MET 64 6.706 -3.162 6.535 474 HE3 MET 64 2HE MET 64 6.064 -4.817 6.324 475 H LEU 65 H LEU 65 3.728 -4.602 12.443 476 HA LEU 65 HA LEU 65 6.112 -6.353 12.675 477 HB2 LEU 65 1HB LEU 65 4.332 -5.404 14.612 478 HB3 LEU 65 2HB LEU 65 3.638 -6.959 14.236 479 HG LEU 65 HG LEU 65 5.076 -7.093 16.149 480 HD11 LEU 65 1HD1 LEU 65 5.061 -9.082 14.668 481 HD12 LEU 65 2HD1 LEU 65 6.552 -8.482 13.898 482 HD13 LEU 65 3HD1 LEU 65 6.555 -8.915 15.610 483 HD21 LEU 65 3HD2 LEU 65 7.435 -6.560 16.138 484 HD22 LEU 65 1HD2 LEU 65 7.397 -6.198 14.402 485 HD23 LEU 65 2HD2 LEU 65 6.513 -5.160 15.542 486 H ILE 66 H ILE 66 6.046 -8.428 12.079 487 HA ILE 66 HA ILE 66 3.714 -9.430 10.451 488 HB ILE 66 HB ILE 66 5.185 -10.328 8.822 489 HG12 ILE 66 1HG1 ILE 66 7.645 -8.890 9.414 490 HG13 ILE 66 2HG1 ILE 66 7.268 -9.929 10.768 491 HG21 ILE 66 1HG2 ILE 66 4.234 -8.037 8.623 492 HG22 ILE 66 2HG2 ILE 66 5.775 -7.371 9.202 493 HG23 ILE 66 3HG2 ILE 66 5.703 -8.310 7.692 494 HD11 ILE 66 3HD1 ILE 66 8.705 -10.918 8.877 495 HD12 ILE 66 1HD1 ILE 66 7.380 -11.909 9.504 496 HD13 ILE 66 2HD1 ILE 66 7.195 -11.047 7.969 497 H ALA 67 H ALA 67 5.158 -11.936 9.844 498 HA ALA 67 HA ALA 67 4.171 -13.605 11.862 499 HB1 ALA 67 1HB ALA 67 4.659 -14.229 9.490 500 HB2 ALA 67 2HB ALA 67 6.405 -14.095 9.828 501 HB3 ALA 67 3HB ALA 67 5.434 -15.345 10.632 502 H GLY 68 H GLY 68 7.174 -11.867 11.947 503 HA2 GLY 68 1HA GLY 68 7.746 -12.632 14.625 504 HA3 GLY 68 2HA GLY 68 8.767 -13.583 13.568 505 H PHE 69 H PHE 69 8.096 -10.335 12.420 506 HA PHE 69 HA PHE 69 10.702 -9.299 13.356 507 HB2 PHE 69 1HB PHE 69 10.038 -9.808 10.424 508 HB3 PHE 69 2HB PHE 69 11.442 -8.944 10.998 509 HD1 PHE 69 1HD PHE 69 13.084 -10.206 12.584 510 HD2 PHE 69 2HD PHE 69 10.145 -12.192 10.123 511 HE1 PHE 69 1HE PHE 69 14.364 -12.328 12.758 512 HE2 PHE 69 2HE PHE 69 11.445 -14.294 10.271 513 HZ PHE 69 HZ PHE 69 13.550 -14.373 11.594 514 H LEU 70 H LEU 70 11.091 -7.100 12.747 515 HA LEU 70 HA LEU 70 8.624 -5.471 12.376 516 HB2 LEU 70 1HB LEU 70 10.187 -5.187 14.422 517 HB3 LEU 70 2HB LEU 70 11.376 -4.584 13.281 518 HG LEU 70 HG LEU 70 10.407 -2.749 14.396 519 HD11 LEU 70 1HD1 LEU 70 10.726 -2.496 11.862 520 HD12 LEU 70 2HD1 LEU 70 8.949 -2.602 11.759 521 HD13 LEU 70 3HD1 LEU 70 9.706 -1.311 12.688 522 HD21 LEU 70 3HD2 LEU 70 7.993 -2.187 14.328 523 HD22 LEU 70 1HD2 LEU 70 7.660 -3.767 13.587 524 HD23 LEU 70 2HD2 LEU 70 8.347 -3.677 15.224 525 H TYR 71 H TYR 71 8.338 -4.617 10.483 526 HA TYR 71 HA TYR 71 10.639 -4.133 8.619 527 HB2 TYR 71 1HB TYR 71 7.753 -4.791 8.032 528 HB3 TYR 71 2HB TYR 71 8.837 -4.116 6.825 529 HD1 TYR 71 1HD TYR 71 11.350 -5.501 7.024 530 HD2 TYR 71 2HD TYR 71 7.359 -7.015 7.523 531 HE1 TYR 71 1HE TYR 71 12.122 -7.763 6.367 532 HE2 TYR 71 2HE TYR 71 8.136 -9.288 7.009 533 HH TYR 71 HH TYR 71 11.540 -9.906 5.941 534 H VAL 72 H VAL 72 11.090 -2.178 8.068 535 HA VAL 72 HA VAL 72 9.383 0.127 8.811 536 HB VAL 72 HB VAL 72 12.138 0.116 7.542 537 HG11 VAL 72 1HG1 VAL 72 10.862 2.209 7.150 538 HG12 VAL 72 2HG1 VAL 72 10.544 2.342 8.895 539 HG13 VAL 72 3HG1 VAL 72 12.199 2.488 8.274 540 HG21 VAL 72 3HG2 VAL 72 13.012 0.752 9.766 541 HG22 VAL 72 1HG2 VAL 72 11.413 0.447 10.472 542 HG23 VAL 72 2HG2 VAL 72 12.347 -0.882 9.751 543 H ALA 73 H ALA 73 7.934 0.732 7.317 544 HA ALA 73 HA ALA 73 8.249 -0.008 4.436 545 HB1 ALA 73 1HB ALA 73 6.198 -0.799 5.546 546 HB2 ALA 73 2HB ALA 73 5.819 0.861 6.058 547 HB3 ALA 73 3HB ALA 73 5.824 0.441 4.331 548 H ASP 74 H ASP 74 9.166 1.527 3.259 549 HA ASP 74 HA ASP 74 9.058 4.376 4.012 550 HB2 ASP 74 1HB ASP 74 11.209 3.281 3.431 551 HB3 ASP 74 2HB ASP 74 10.595 2.972 1.804 552 H LEU 75 H LEU 75 7.623 5.683 3.228 553 HA LEU 75 HA LEU 75 5.678 4.798 1.220 554 HB2 LEU 75 1HB LEU 75 5.884 7.037 3.259 555 HB3 LEU 75 2HB LEU 75 4.698 7.126 1.978 556 HG LEU 75 HG LEU 75 3.563 5.170 2.702 557 HD11 LEU 75 1HD1 LEU 75 5.295 3.702 3.536 558 HD12 LEU 75 2HD1 LEU 75 5.545 4.785 4.937 559 HD13 LEU 75 3HD1 LEU 75 4.004 3.925 4.719 560 HD21 LEU 75 3HD2 LEU 75 2.620 6.042 4.728 561 HD22 LEU 75 1HD2 LEU 75 4.142 6.856 5.165 562 HD23 LEU 75 2HD2 LEU 75 3.182 7.433 3.797 563 H GLU 76 H GLU 76 8.590 6.560 1.030 564 HA GLU 76 HA GLU 76 7.695 8.366 -1.149 565 HB2 GLU 76 1HB GLU 76 10.385 7.961 0.221 566 HB3 GLU 76 2HB GLU 76 10.052 9.147 -1.027 567 HG2 GLU 76 1HG GLU 76 8.640 9.024 1.679 568 HG3 GLU 76 2HG GLU 76 10.040 10.019 1.343 569 H ASN 77 H ASN 77 10.064 5.753 -0.600 570 HA ASN 77 HA ASN 77 10.656 5.427 -3.471 571 HB2 ASN 77 1HB ASN 77 11.625 3.969 -0.974 572 HB3 ASN 77 2HB ASN 77 12.260 3.731 -2.601 573 HD21 ASN 77 2HD2 ASN 77 12.095 5.987 0.145 574 HD22 ASN 77 1HD2 ASN 77 13.442 6.982 -0.399 575 H MET 78 H MET 78 8.356 4.259 -1.296 576 HA MET 78 HA MET 78 6.919 2.491 -1.129 577 HB2 MET 78 1HB MET 78 7.271 2.303 -4.137 578 HB3 MET 78 2HB MET 78 6.007 1.527 -3.186 579 HG2 MET 78 1HG MET 78 6.197 4.494 -2.871 580 HG3 MET 78 2HG MET 78 5.743 3.894 -4.452 581 HE1 MET 78 3HE MET 78 3.192 3.621 -0.637 582 HE2 MET 78 1HE MET 78 4.770 2.809 -0.664 583 HE3 MET 78 2HE MET 78 4.666 4.575 -0.866 584 H VAL 79 H VAL 79 8.988 1.657 -0.023 585 HA VAL 79 HA VAL 79 9.301 -1.161 -0.876 586 HB VAL 79 HB VAL 79 11.724 -1.232 -0.394 587 HG11 VAL 79 1HG1 VAL 79 11.019 -1.074 -2.728 588 HG12 VAL 79 2HG1 VAL 79 11.113 0.704 -2.646 589 HG13 VAL 79 3HG1 VAL 79 12.575 -0.281 -2.442 590 HG21 VAL 79 3HG2 VAL 79 13.037 0.905 -0.405 591 HG22 VAL 79 1HG2 VAL 79 11.526 1.792 -0.182 592 HG23 VAL 79 2HG2 VAL 79 12.078 0.628 1.051 593 H GLN 80 H GLN 80 10.152 -2.559 0.826 594 HA GLN 80 HA GLN 80 9.945 -1.458 3.589 595 HB2 GLN 80 1HB GLN 80 9.050 -3.658 4.287 596 HB3 GLN 80 2HB GLN 80 7.951 -2.788 3.213 597 HG2 GLN 80 1HG GLN 80 8.403 -4.207 1.368 598 HG3 GLN 80 2HG GLN 80 9.897 -4.823 2.071 599 HE21 GLN 80 2HE2 GLN 80 9.599 -6.115 4.232 600 HE22 GLN 80 1HE2 GLN 80 8.302 -7.289 4.074 601 H TYR 81 H TYR 81 11.395 -2.216 5.096 602 HA TYR 81 HA TYR 81 13.330 -4.333 4.514 603 HB2 TYR 81 1HB TYR 81 15.286 -2.773 4.919 604 HB3 TYR 81 2HB TYR 81 14.495 -2.667 3.367 605 HD1 TYR 81 1HD TYR 81 14.549 -0.974 6.748 606 HD2 TYR 81 2HD TYR 81 13.779 -0.605 2.522 607 HE1 TYR 81 1HE TYR 81 14.323 1.472 7.011 608 HE2 TYR 81 2HE TYR 81 13.557 1.851 2.770 609 HH TYR 81 HH TYR 81 13.926 3.486 5.954 610 H ARG 82 H ARG 82 14.778 -4.759 6.377 611 HA ARG 82 HA ARG 82 13.357 -4.491 8.936 612 HB2 ARG 82 1HB ARG 82 16.048 -5.772 8.296 613 HB3 ARG 82 2HB ARG 82 15.152 -5.910 9.819 614 HG2 ARG 82 1HG ARG 82 13.250 -6.971 8.571 615 HG3 ARG 82 2HG ARG 82 14.228 -6.916 7.091 616 HD2 ARG 82 1HD ARG 82 15.964 -8.314 8.262 617 HD3 ARG 82 2HD ARG 82 14.838 -8.471 9.624 618 HE ARG 82 HE ARG 82 13.863 -9.256 6.911 619 HH11 ARG 82 1HH1 ARG 82 15.122 -10.561 9.990 620 HH12 ARG 82 2HH1 ARG 82 14.484 -12.135 9.593 621 HH21 ARG 82 1HH2 ARG 82 13.266 -11.164 6.503 622 HH22 ARG 82 2HH2 ARG 82 13.555 -12.537 7.572 623 H ARG 83 H ARG 83 14.196 -3.432 10.824 624 HA ARG 83 HA ARG 83 14.951 -0.801 10.430 625 HB2 ARG 83 1HB ARG 83 15.155 -2.587 12.873 626 HB3 ARG 83 2HB ARG 83 15.648 -0.891 12.931 627 HG2 ARG 83 1HG ARG 83 13.435 -0.131 12.251 628 HG3 ARG 83 2HG ARG 83 12.893 -1.800 12.036 629 HD2 ARG 83 1HD ARG 83 12.090 -0.851 14.183 630 HD3 ARG 83 2HD ARG 83 13.095 -2.274 14.398 631 HE ARG 83 HE ARG 83 14.776 -1.014 15.387 632 HH11 ARG 83 1HH1 ARG 83 12.166 1.224 14.431 633 HH12 ARG 83 2HH1 ARG 83 12.952 2.559 15.222 634 HH21 ARG 83 1HH2 ARG 83 15.659 0.748 16.412 635 HH22 ARG 83 2HH2 ARG 83 14.858 2.288 16.355 636 H ASN 84 H ASN 84 17.270 -3.443 10.880 637 HA ASN 84 HA ASN 84 19.538 -1.562 11.118 638 HB2 ASN 84 1HB ASN 84 19.364 -4.588 11.258 639 HB3 ASN 84 2HB ASN 84 20.850 -3.660 11.454 640 HD21 ASN 84 2HD2 ASN 84 18.274 -5.015 13.180 641 HD22 ASN 84 1HD2 ASN 84 18.468 -4.080 14.652 642 H GLU 85 H GLU 85 17.863 -2.695 8.475 643 HA GLU 85 HA GLU 85 20.235 -3.238 6.768 644 HB2 GLU 85 1HB GLU 85 18.524 -5.009 7.023 645 HB3 GLU 85 2HB GLU 85 17.292 -3.915 6.401 646 HG2 GLU 85 1HG GLU 85 18.070 -5.533 4.734 647 HG3 GLU 85 2HG GLU 85 18.326 -3.869 4.221 648 H HIS 86 H HIS 86 20.325 -2.355 4.660 649 HA HIS 86 HA HIS 86 18.730 0.106 4.085 650 HB2 HIS 86 1HB HIS 86 20.681 0.904 5.213 651 HB3 HIS 86 2HB HIS 86 21.741 -0.195 4.335 652 HD2 HIS 86 2HD HIS 86 22.493 0.419 1.901 653 HE1 HIS 86 1HE HIS 86 20.873 4.359 1.769 654 HE2 HIS 86 2HE HIS 86 22.420 2.713 0.589 655 H GLY 87 H GLY 87 20.715 -2.579 2.860 656 HA2 GLY 87 1HA GLY 87 20.443 -1.731 0.025 657 HA3 GLY 87 2HA GLY 87 21.380 -3.102 0.670 658 H ARG 88 H ARG 88 19.783 -4.720 1.911 659 HA ARG 88 HA ARG 88 18.018 -5.872 -0.082 660 HB2 ARG 88 1HB ARG 88 19.206 -7.348 1.347 661 HB3 ARG 88 2HB ARG 88 18.678 -6.524 2.797 662 HG2 ARG 88 1HG ARG 88 17.572 -8.641 2.630 663 HG3 ARG 88 2HG ARG 88 16.378 -7.357 2.500 664 HD2 ARG 88 1HD ARG 88 16.272 -7.690 0.047 665 HD3 ARG 88 2HD ARG 88 17.536 -8.934 0.162 666 HE ARG 88 HE ARG 88 15.426 -9.645 1.952 667 HH11 ARG 88 1HH1 ARG 88 15.921 -9.580 -1.572 668 HH12 ARG 88 2HH1 ARG 88 14.791 -10.885 -1.798 669 HH21 ARG 88 1HH2 ARG 88 14.101 -11.157 1.631 670 HH22 ARG 88 2HH2 ARG 88 13.751 -11.839 0.041 671 H ARG 89 H ARG 89 16.193 -4.955 -0.616 672 HA ARG 89 HA ARG 89 14.108 -4.397 1.377 673 HB2 ARG 89 1HB ARG 89 13.651 -2.167 0.670 674 HB3 ARG 89 2HB ARG 89 15.321 -2.281 1.198 675 HG2 ARG 89 1HG ARG 89 15.891 -2.531 -1.356 676 HG3 ARG 89 2HG ARG 89 14.233 -1.936 -1.603 677 HD2 ARG 89 1HD ARG 89 14.874 -0.009 -0.015 678 HD3 ARG 89 2HD ARG 89 16.531 -0.571 -0.158 679 HE ARG 89 HE ARG 89 15.583 -0.298 -2.784 680 HH11 ARG 89 1HH1 ARG 89 16.226 1.886 -0.077 681 HH12 ARG 89 2HH1 ARG 89 16.446 3.259 -1.118 682 HH21 ARG 89 1HH2 ARG 89 15.893 1.512 -4.072 683 HH22 ARG 89 2HH2 ARG 89 16.272 3.045 -3.347 684 H ARG 90 H ARG 90 12.049 -4.566 0.596 685 HA ARG 90 HA ARG 90 11.736 -5.785 -2.141 686 HB2 ARG 90 1HB ARG 90 10.319 -6.367 0.486 687 HB3 ARG 90 2HB ARG 90 9.741 -6.946 -1.078 688 HG2 ARG 90 1HG ARG 90 11.711 -8.283 -1.430 689 HG3 ARG 90 2HG ARG 90 12.558 -7.524 -0.080 690 HD2 ARG 90 1HD ARG 90 11.868 -9.716 0.581 691 HD3 ARG 90 2HD ARG 90 10.982 -8.516 1.527 692 HE ARG 90 HE ARG 90 9.291 -9.130 -0.619 693 HH11 ARG 90 1HH1 ARG 90 10.786 -11.031 2.013 694 HH12 ARG 90 2HH1 ARG 90 9.455 -12.175 1.988 695 HH21 ARG 90 1HH2 ARG 90 7.656 -10.563 -0.475 696 HH22 ARG 90 2HH2 ARG 90 7.708 -11.895 0.678 697 H LYS 91 H LYS 91 10.204 -4.970 -3.483 698 HA LYS 91 HA LYS 91 9.182 -2.326 -3.073 699 HB2 LYS 91 1HB LYS 91 8.910 -4.525 -5.100 700 HB3 LYS 91 2HB LYS 91 7.685 -3.286 -5.143 701 HG2 LYS 91 1HG LYS 91 10.667 -2.707 -5.292 702 HG3 LYS 91 2HG LYS 91 9.642 -2.956 -6.701 703 HD2 LYS 91 1HD LYS 91 9.346 -0.737 -4.652 704 HD3 LYS 91 2HD LYS 91 10.010 -0.561 -6.256 705 HE2 LYS 91 1HE LYS 91 7.118 -1.301 -5.622 706 HE3 LYS 91 2HE LYS 91 7.696 0.309 -6.012 707 HZ1 LYS 91 3HZ LYS 91 6.805 -0.772 -7.977 708 HZ2 LYS 91 1HZ LYS 91 8.400 -0.498 -8.186 709 HZ3 LYS 91 2HZ LYS 91 7.870 -2.010 -7.859 710 H ILE 92 H ILE 92 7.213 -1.489 -2.693 711 HA ILE 92 HA ILE 92 4.901 -3.291 -2.148 712 HB ILE 92 HB ILE 92 4.075 -1.890 -0.379 713 HG12 ILE 92 1HG1 ILE 92 6.647 -0.332 -0.579 714 HG13 ILE 92 2HG1 ILE 92 5.069 0.237 -1.146 715 HG21 ILE 92 1HG2 ILE 92 5.618 -3.794 0.159 716 HG22 ILE 92 2HG2 ILE 92 6.952 -2.630 0.278 717 HG23 ILE 92 3HG2 ILE 92 5.567 -2.523 1.384 718 HD11 ILE 92 3HD1 ILE 92 5.524 1.272 0.954 719 HD12 ILE 92 1HD1 ILE 92 4.273 0.041 1.255 720 HD13 ILE 92 2HD1 ILE 92 5.967 -0.263 1.714 721 H LYS 93 H LYS 93 2.801 -2.060 -2.330 722 HA LYS 93 HA LYS 93 2.804 0.364 -3.935 723 HB2 LYS 93 1HB LYS 93 1.681 -0.444 -5.883 724 HB3 LYS 93 2HB LYS 93 3.157 -1.380 -5.703 725 HG2 LYS 93 1HG LYS 93 1.941 -3.304 -4.895 726 HG3 LYS 93 2HG LYS 93 0.442 -2.376 -4.731 727 HD2 LYS 93 1HD LYS 93 0.330 -2.033 -7.152 728 HD3 LYS 93 2HD LYS 93 1.808 -2.999 -7.373 729 HE2 LYS 93 1HE LYS 93 0.743 -4.993 -6.569 730 HE3 LYS 93 2HE LYS 93 -0.620 -4.090 -5.891 731 HZ1 LYS 93 3HZ LYS 93 -1.168 -5.200 -8.000 732 HZ2 LYS 93 1HZ LYS 93 -1.401 -3.586 -8.076 733 HZ3 LYS 93 2HZ LYS 93 -0.086 -4.267 -8.799 734 H ARG 94 H ARG 94 0.591 1.066 -4.495 735 HA ARG 94 HA ARG 94 -1.519 0.201 -2.547 736 HB2 ARG 94 1HB ARG 94 -1.059 2.938 -3.811 737 HB3 ARG 94 2HB ARG 94 -2.428 2.483 -2.786 738 HG2 ARG 94 1HG ARG 94 -0.858 2.007 -0.910 739 HG3 ARG 94 2HG ARG 94 0.506 2.485 -1.926 740 HD2 ARG 94 1HD ARG 94 0.010 4.345 -0.545 741 HD3 ARG 94 2HD ARG 94 -0.527 4.758 -2.179 742 HE ARG 94 HE ARG 94 -2.728 3.617 -0.805 743 HH11 ARG 94 1HH1 ARG 94 -0.769 6.545 -0.528 744 HH12 ARG 94 2HH1 ARG 94 -2.053 7.442 0.231 745 HH21 ARG 94 1HH2 ARG 94 -4.376 4.860 0.074 746 HH22 ARG 94 2HH2 ARG 94 -4.075 6.514 0.511 747 H ASP 95 H ASP 95 -3.544 -0.182 -3.381 748 HA ASP 95 HA ASP 95 -4.146 0.224 -6.237 749 HB2 ASP 95 1HB ASP 95 -2.945 -2.190 -5.445 750 HB3 ASP 95 2HB ASP 95 -4.675 -2.555 -5.418 751 H ILE 96 H ILE 96 -6.324 -1.018 -6.685 752 HA ILE 96 HA ILE 96 -8.313 -0.365 -4.530 753 HB ILE 96 HB ILE 96 -8.498 0.290 -7.485 754 HG12 ILE 96 1HG1 ILE 96 -6.923 1.814 -6.327 755 HG13 ILE 96 2HG1 ILE 96 -8.353 2.627 -6.931 756 HG21 ILE 96 1HG2 ILE 96 -10.733 -0.144 -6.660 757 HG22 ILE 96 2HG2 ILE 96 -10.440 0.765 -5.159 758 HG23 ILE 96 3HG2 ILE 96 -10.577 1.610 -6.713 759 HD11 ILE 96 3HD1 ILE 96 -7.587 3.299 -4.589 760 HD12 ILE 96 1HD1 ILE 96 -9.298 2.842 -4.754 761 HD13 ILE 96 2HD1 ILE 96 -8.150 1.692 -4.057 762 H ILE 97 H ILE 97 -9.942 -1.719 -4.342 763 HA ILE 97 HA ILE 97 -10.004 -4.231 -5.957 764 HB ILE 97 HB ILE 97 -11.605 -3.486 -3.514 765 HG12 ILE 97 1HG1 ILE 97 -10.102 -5.490 -2.611 766 HG13 ILE 97 2HG1 ILE 97 -8.961 -4.907 -3.814 767 HG21 ILE 97 1HG2 ILE 97 -12.817 -5.056 -4.820 768 HG22 ILE 97 2HG2 ILE 97 -11.379 -6.092 -5.031 769 HG23 ILE 97 3HG2 ILE 97 -12.149 -5.904 -3.433 770 HD11 ILE 97 3HD1 ILE 97 -8.899 -3.996 -1.361 771 HD12 ILE 97 1HD1 ILE 97 -8.708 -2.827 -2.687 772 HD13 ILE 97 2HD1 ILE 97 -10.261 -2.989 -1.830 773 H ASP 98 H ASP 98 -11.621 -4.785 -7.300 774 HA ASP 98 HA ASP 98 -13.625 -2.719 -8.001 775 HB2 ASP 98 1HB ASP 98 -11.946 -3.505 -9.676 776 HB3 ASP 98 2HB ASP 98 -12.669 -5.112 -9.597 777 H ILE 99 H ILE 99 -13.532 -5.785 -6.564 778 HA ILE 99 HA ILE 99 -15.038 -7.013 -5.447 779 HB ILE 99 HB ILE 99 -17.147 -5.006 -6.234 780 HG12 ILE 99 1HG1 ILE 99 -15.260 -3.935 -4.987 781 HG13 ILE 99 2HG1 ILE 99 -16.796 -3.884 -4.151 782 HG21 ILE 99 1HG2 ILE 99 -18.237 -7.002 -5.491 783 HG22 ILE 99 2HG2 ILE 99 -17.192 -7.116 -4.061 784 HG23 ILE 99 3HG2 ILE 99 -18.356 -5.786 -4.223 785 HD11 ILE 99 3HD1 ILE 99 -14.837 -4.391 -2.674 786 HD12 ILE 99 1HD1 ILE 99 -16.119 -5.608 -2.590 787 HD13 ILE 99 2HD1 ILE 99 -14.639 -5.943 -3.512 788 HA PRO 100 HA PRO 100 -16.641 -9.640 -8.743 789 HB2 PRO 100 1HB PRO 100 -17.001 -11.944 -7.363 790 HB3 PRO 100 2HB PRO 100 -15.374 -11.278 -7.668 791 HG2 PRO 100 1HG PRO 100 -17.084 -10.971 -5.168 792 HG3 PRO 100 2HG PRO 100 -15.365 -11.471 -5.268 793 HD2 PRO 100 1HD PRO 100 -16.151 -8.873 -4.773 794 HD3 PRO 100 2HD PRO 100 -14.658 -9.270 -5.671 795 H LYS 101 H LYS 101 -18.584 -10.931 -9.188 796 HA LYS 101 HA LYS 101 -21.028 -9.661 -8.372 797 HB2 LYS 101 1HB LYS 101 -22.168 -11.395 -9.633 798 HB3 LYS 101 2HB LYS 101 -20.808 -10.722 -10.531 799 HG2 LYS 101 1HG LYS 101 -19.448 -12.733 -10.034 800 HG3 LYS 101 2HG LYS 101 -20.739 -13.377 -9.018 801 HD2 LYS 101 1HD LYS 101 -20.783 -14.490 -11.174 802 HD3 LYS 101 2HD LYS 101 -22.246 -13.548 -10.928 803 HE2 LYS 101 1HE LYS 101 -21.578 -13.269 -13.208 804 HE3 LYS 101 2HE LYS 101 -21.317 -11.734 -12.384 805 HZ1 LYS 101 3HZ LYS 101 -19.443 -12.342 -13.809 806 HZ2 LYS 101 1HZ LYS 101 -18.943 -12.294 -12.256 807 HZ3 LYS 101 2HZ LYS 101 -19.204 -13.734 -12.992 808 H LYS 102 H LYS 102 -19.320 -12.387 -7.005 809 HA LYS 102 HA LYS 102 -21.305 -13.448 -5.265 810 HB2 LYS 102 1HB LYS 102 -19.103 -14.447 -5.897 811 HB3 LYS 102 2HB LYS 102 -18.287 -13.251 -4.880 812 HG2 LYS 102 1HG LYS 102 -19.351 -14.188 -2.870 813 HG3 LYS 102 2HG LYS 102 -20.362 -15.246 -3.865 814 HD2 LYS 102 1HD LYS 102 -18.560 -16.527 -2.892 815 HD3 LYS 102 2HD LYS 102 -18.343 -16.452 -4.645 816 HE2 LYS 102 1HE LYS 102 -16.649 -14.652 -4.365 817 HE3 LYS 102 2HE LYS 102 -16.904 -14.674 -2.614 818 HZ1 LYS 102 3HZ LYS 102 -14.965 -15.985 -3.247 819 HZ2 LYS 102 1HZ LYS 102 -16.092 -16.968 -2.594 820 HZ3 LYS 102 2HZ LYS 102 -15.860 -16.950 -4.213 821 H GLY 103 H GLY 103 -19.650 -10.392 -5.068 822 HA2 GLY 103 1HA GLY 103 -20.176 -9.882 -2.235 823 HA3 GLY 103 2HA GLY 103 -19.571 -8.741 -3.465 824 H VAL 104 H VAL 104 -22.211 -9.803 -4.959 825 HA VAL 104 HA VAL 104 -23.862 -7.522 -4.088 826 HB VAL 104 HB VAL 104 -24.409 -9.596 -6.252 827 HG11 VAL 104 1HG1 VAL 104 -26.507 -8.565 -5.459 828 HG12 VAL 104 2HG1 VAL 104 -25.792 -6.946 -5.622 829 HG13 VAL 104 3HG1 VAL 104 -26.090 -7.947 -7.060 830 HG21 VAL 104 3HG2 VAL 104 -23.794 -7.778 -7.824 831 HG22 VAL 104 1HG2 VAL 104 -23.355 -6.736 -6.453 832 HG23 VAL 104 2HG2 VAL 104 -22.426 -8.210 -6.795 833 H SER 105 H SER 105 -25.161 -7.695 -2.412 834 HA SER 105 HA SER 105 -26.843 -10.059 -1.850 835 HB2 SER 105 1HB SER 105 -24.751 -9.012 0.110 836 HB3 SER 105 2HB SER 105 -26.003 -10.194 0.492 837 HG SER 105 HG SER 105 -25.022 -11.636 -1.018 838 H GLY 106 H GLY 106 -28.457 -9.646 -0.201 839 HA2 GLY 106 1HA GLY 106 -29.429 -6.891 -0.112 840 HA3 GLY 106 2HA GLY 106 -30.192 -8.315 0.619 841 HA PRO 107 HA PRO 107 -27.928 -5.622 3.821 842 HB2 PRO 107 1HB PRO 107 -29.931 -4.140 4.911 843 HB3 PRO 107 2HB PRO 107 -29.111 -3.663 3.395 844 HG2 PRO 107 1HG PRO 107 -31.735 -5.169 3.690 845 HG3 PRO 107 2HG PRO 107 -31.402 -3.718 2.689 846 HD2 PRO 107 1HD PRO 107 -31.332 -6.240 1.644 847 HD3 PRO 107 2HD PRO 107 -30.188 -4.974 1.101 848 H SER 108 H SER 108 -27.958 -5.926 6.126 849 HA SER 108 HA SER 108 -29.132 -8.438 6.990 850 HB2 SER 108 1HB SER 108 -27.880 -7.924 9.086 851 HB3 SER 108 2HB SER 108 -26.889 -7.900 7.624 852 HG SER 108 HG SER 108 -26.463 -6.095 9.010 853 H SER 109 H SER 109 -30.530 -5.405 6.862 854 HA SER 109 HA SER 109 -32.023 -5.499 9.393 855 HB2 SER 109 1HB SER 109 -33.062 -3.425 8.485 856 HB3 SER 109 2HB SER 109 -31.299 -3.359 8.579 857 HG SER 109 HG SER 109 -32.130 -2.552 6.565 858 H GLY 110 H GLY 110 -32.423 -7.091 6.439 859 HA2 GLY 110 1HA GLY 110 -34.965 -8.209 7.115 860 HA3 GLY 110 2HA GLY 110 -35.211 -6.952 5.904 861 H5'1 ATP 201 H5" ATP 111 10.682 -13.366 7.892 862 H5'2 ATP 201 H5' ATP 111 11.167 -13.042 6.222 863 H4' ATP 201 H4' ATP 111 8.739 -14.671 7.082 864 H3' ATP 201 H3' ATP 111 10.101 -14.891 4.624 865 HO3' ATP 201 H3T ATP 111 8.369 -16.269 5.171 866 H2' ATP 201 H2' ATP 111 9.765 -12.586 4.145 867 HO2' ATP 201 2HO ATP 111 7.734 -14.183 2.973 868 H1' ATP 201 H1' ATP 111 6.955 -13.066 5.225 869 H8 ATP 201 8H ATP 111 9.393 -10.394 3.899 870 HN61 ATP 201 2H6 ATP 111 5.808 -6.999 3.219 871 HN62 ATP 201 1H6 ATP 111 4.178 -6.950 3.904 872 H2 ATP 201 2H ATP 111 3.541 -10.211 6.548 Start of MODEL 3 1 HA PRO 1 HA PRO 1 20.073 3.494 -9.614 2 HB2 PRO 1 1HB PRO 1 19.622 3.579 -12.594 3 HB3 PRO 1 2HB PRO 1 20.697 4.575 -11.570 4 HG2 PRO 1 1HG PRO 1 21.316 2.105 -12.988 5 HG3 PRO 1 2HG PRO 1 22.423 3.042 -11.941 6 HD2 PRO 1 1HD PRO 1 21.540 0.516 -11.275 7 HD3 PRO 1 2HD PRO 1 21.948 1.768 -10.077 8 H SER 2 H SER 2 18.497 5.312 -10.017 9 HA SER 2 HA SER 2 15.792 4.766 -10.943 10 HB2 SER 2 1HB SER 2 16.396 4.962 -7.968 11 HB3 SER 2 2HB SER 2 14.833 5.436 -8.640 12 HG SER 2 HG SER 2 15.960 2.875 -9.147 13 H SER 3 H SER 3 14.575 6.700 -11.169 14 HA SER 3 HA SER 3 15.492 9.293 -10.264 15 HB2 SER 3 1HB SER 3 16.071 10.192 -12.477 16 HB3 SER 3 2HB SER 3 17.193 8.928 -11.982 17 HG SER 3 HG SER 3 16.543 8.694 -14.180 18 H GLY 4 H GLY 4 14.186 11.076 -11.308 19 HA2 GLY 4 1HA GLY 4 12.224 11.973 -12.209 20 HA3 GLY 4 2HA GLY 4 11.649 10.343 -12.598 21 H SER 5 H SER 5 9.594 11.093 -11.850 22 HA SER 5 HA SER 5 9.053 12.062 -9.236 23 HB2 SER 5 1HB SER 5 7.198 10.594 -11.147 24 HB3 SER 5 2HB SER 5 6.714 11.630 -9.793 25 HG SER 5 HG SER 5 6.667 12.755 -11.813 26 H SER 6 H SER 6 8.166 11.118 -7.356 27 HA SER 6 HA SER 6 8.830 8.324 -6.823 28 HB2 SER 6 1HB SER 6 7.923 8.956 -4.552 29 HB3 SER 6 2HB SER 6 9.295 9.919 -5.125 30 HG SER 6 HG SER 6 7.608 11.229 -4.223 31 H GLY 7 H GLY 7 5.982 9.939 -7.932 32 HA2 GLY 7 1HA GLY 7 4.054 7.956 -6.906 33 HA3 GLY 7 2HA GLY 7 3.709 9.348 -7.949 34 H PHE 8 H PHE 8 2.462 7.030 -8.418 35 HA PHE 8 HA PHE 8 3.727 5.350 -10.397 36 HB2 PHE 8 1HB PHE 8 0.798 5.746 -9.666 37 HB3 PHE 8 2HB PHE 8 1.419 4.469 -10.701 38 HD1 PHE 8 1HD PHE 8 2.914 2.680 -9.785 39 HD2 PHE 8 2HD PHE 8 1.010 5.587 -7.229 40 HE1 PHE 8 1HE PHE 8 3.423 1.276 -7.803 41 HE2 PHE 8 2HE PHE 8 1.545 4.192 -5.248 42 HZ PHE 8 HZ PHE 8 2.776 2.051 -5.530 43 H LEU 9 H LEU 9 3.108 5.116 -12.612 44 HA LEU 9 HA LEU 9 3.341 7.561 -14.061 45 HB2 LEU 9 1HB LEU 9 4.348 5.415 -14.750 46 HB3 LEU 9 2HB LEU 9 2.744 4.711 -14.959 47 HG LEU 9 HG LEU 9 2.281 6.300 -16.818 48 HD11 LEU 9 1HD1 LEU 9 3.756 8.187 -16.207 49 HD12 LEU 9 2HD1 LEU 9 5.189 7.160 -16.428 50 HD13 LEU 9 3HD1 LEU 9 4.164 7.588 -17.815 51 HD21 LEU 9 3HD2 LEU 9 3.792 5.243 -18.448 52 HD22 LEU 9 1HD2 LEU 9 4.849 4.691 -17.130 53 HD23 LEU 9 2HD2 LEU 9 3.193 4.062 -17.271 54 H ASP 10 H ASP 10 1.914 8.844 -15.032 55 HA ASP 10 HA ASP 10 -0.993 8.201 -15.083 56 HB2 ASP 10 1HB ASP 10 0.552 10.760 -15.621 57 HB3 ASP 10 2HB ASP 10 -1.188 10.579 -15.834 58 H LYS 11 H LYS 11 -2.106 7.908 -16.964 59 HA LYS 11 HA LYS 11 -0.703 8.003 -19.575 60 HB2 LYS 11 1HB LYS 11 -2.005 5.677 -18.127 61 HB3 LYS 11 2HB LYS 11 -2.059 5.721 -19.871 62 HG2 LYS 11 1HG LYS 11 0.659 6.316 -19.215 63 HG3 LYS 11 2HG LYS 11 0.170 5.024 -18.111 64 HD2 LYS 11 1HD LYS 11 -0.617 3.696 -20.087 65 HD3 LYS 11 2HD LYS 11 -0.088 5.023 -21.154 66 HE2 LYS 11 1HE LYS 11 2.241 4.759 -20.320 67 HE3 LYS 11 2HE LYS 11 1.717 3.446 -19.255 68 HZ1 LYS 11 3HZ LYS 11 2.667 2.589 -21.311 69 HZ2 LYS 11 1HZ LYS 11 1.089 2.179 -21.235 70 HZ3 LYS 11 2HZ LYS 11 1.575 3.392 -22.221 71 HA PRO 12 HA PRO 12 -4.297 9.849 -21.160 72 HB2 PRO 12 1HB PRO 12 -4.356 9.094 -23.785 73 HB3 PRO 12 2HB PRO 12 -3.067 10.106 -23.087 74 HG2 PRO 12 1HG PRO 12 -3.078 7.103 -23.537 75 HG3 PRO 12 2HG PRO 12 -1.798 8.272 -24.009 76 HD2 PRO 12 1HD PRO 12 -1.671 6.787 -21.706 77 HD3 PRO 12 2HD PRO 12 -1.011 8.430 -21.786 78 H THR 13 H THR 13 -6.291 9.506 -22.475 79 HA THR 13 HA THR 13 -7.715 6.994 -22.432 80 HB THR 13 HB THR 13 -7.600 7.493 -19.991 81 HG1 THR 13 1HG THR 13 -9.652 6.935 -19.726 82 HG21 THR 13 3HG2 THR 13 -8.686 9.373 -19.026 83 HG22 THR 13 1HG2 THR 13 -7.650 10.038 -20.279 84 HG23 THR 13 2HG2 THR 13 -9.395 9.882 -20.579 85 H LEU 14 H LEU 14 -10.022 7.314 -22.782 86 HA LEU 14 HA LEU 14 -10.467 9.455 -24.831 87 HB2 LEU 14 1HB LEU 14 -11.820 6.746 -24.555 88 HB3 LEU 14 2HB LEU 14 -11.978 7.875 -25.886 89 HG LEU 14 HG LEU 14 -9.145 7.309 -25.598 90 HD11 LEU 14 1HD1 LEU 14 -9.811 5.296 -24.344 91 HD12 LEU 14 2HD1 LEU 14 -10.847 4.786 -25.697 92 HD13 LEU 14 3HD1 LEU 14 -9.084 4.888 -25.908 93 HD21 LEU 14 3HD2 LEU 14 -9.378 6.428 -27.874 94 HD22 LEU 14 1HD2 LEU 14 -11.147 6.374 -27.700 95 HD23 LEU 14 2HD2 LEU 14 -10.292 7.936 -27.693 96 H LEU 15 H LEU 15 -11.251 8.722 -21.685 97 HA LEU 15 HA LEU 15 -14.089 9.558 -21.784 98 HB2 LEU 15 1HB LEU 15 -12.453 8.802 -19.345 99 HB3 LEU 15 2HB LEU 15 -14.199 8.881 -19.495 100 HG LEU 15 HG LEU 15 -12.361 6.804 -20.759 101 HD11 LEU 15 1HD1 LEU 15 -12.775 6.567 -18.327 102 HD12 LEU 15 2HD1 LEU 15 -14.528 6.582 -18.626 103 HD13 LEU 15 3HD1 LEU 15 -13.526 5.256 -19.254 104 HD21 LEU 15 3HD2 LEU 15 -14.449 5.674 -21.513 105 HD22 LEU 15 1HD2 LEU 15 -15.388 7.101 -21.019 106 HD23 LEU 15 2HD2 LEU 15 -14.192 7.215 -22.333 107 H SER 16 H SER 16 -14.536 10.796 -19.531 108 HA SER 16 HA SER 16 -13.348 13.496 -19.832 109 HB2 SER 16 1HB SER 16 -15.997 12.326 -18.982 110 HB3 SER 16 2HB SER 16 -15.561 13.917 -18.483 111 HG SER 16 HG SER 16 -16.736 13.906 -20.499 112 HA PRO 17 HA PRO 17 -11.563 13.476 -15.793 113 HB2 PRO 17 1HB PRO 17 -12.186 15.957 -14.783 114 HB3 PRO 17 2HB PRO 17 -11.001 15.684 -16.098 115 HG2 PRO 17 1HG PRO 17 -13.930 16.457 -16.365 116 HG3 PRO 17 2HG PRO 17 -12.506 17.195 -17.177 117 HD2 PRO 17 1HD PRO 17 -14.022 15.359 -18.441 118 HD3 PRO 17 2HD PRO 17 -12.240 15.362 -18.621 119 H GLU 18 H GLU 18 -15.013 14.126 -16.040 120 HA GLU 18 HA GLU 18 -15.517 13.517 -13.218 121 HB2 GLU 18 1HB GLU 18 -17.853 13.932 -13.741 122 HB3 GLU 18 2HB GLU 18 -16.821 15.247 -14.292 123 HG2 GLU 18 1HG GLU 18 -16.945 14.394 -16.617 124 HG3 GLU 18 2HG GLU 18 -17.962 13.053 -16.081 125 H GLU 19 H GLU 19 -15.023 11.552 -15.955 126 HA GLU 19 HA GLU 19 -16.750 9.322 -15.054 127 HB2 GLU 19 1HB GLU 19 -14.846 9.770 -17.369 128 HB3 GLU 19 2HB GLU 19 -15.414 8.172 -16.966 129 HG2 GLU 19 1HG GLU 19 -17.191 10.552 -17.647 130 HG3 GLU 19 2HG GLU 19 -16.677 9.306 -18.784 131 H LEU 20 H LEU 20 -13.329 10.023 -15.605 132 HA LEU 20 HA LEU 20 -12.173 7.654 -14.583 133 HB2 LEU 20 1HB LEU 20 -11.042 10.479 -14.585 134 HB3 LEU 20 2HB LEU 20 -10.086 9.009 -14.541 135 HG LEU 20 HG LEU 20 -11.952 9.497 -16.898 136 HD11 LEU 20 1HD1 LEU 20 -10.682 11.558 -16.456 137 HD12 LEU 20 2HD1 LEU 20 -9.164 10.650 -16.624 138 HD13 LEU 20 3HD1 LEU 20 -10.284 10.803 -18.013 139 HD21 LEU 20 3HD2 LEU 20 -10.380 8.137 -18.097 140 HD22 LEU 20 1HD2 LEU 20 -9.253 8.108 -16.723 141 HD23 LEU 20 2HD2 LEU 20 -10.825 7.281 -16.615 142 H LYS 21 H LYS 21 -12.576 10.824 -12.985 143 HA LYS 21 HA LYS 21 -11.743 9.960 -10.364 144 HB2 LYS 21 1HB LYS 21 -13.378 12.280 -11.398 145 HB3 LYS 21 2HB LYS 21 -13.309 11.972 -9.675 146 HG2 LYS 21 1HG LYS 21 -11.656 13.644 -10.432 147 HG3 LYS 21 2HG LYS 21 -10.971 12.287 -9.535 148 HD2 LYS 21 1HD LYS 21 -10.032 11.314 -11.551 149 HD3 LYS 21 2HD LYS 21 -10.941 12.427 -12.569 150 HE2 LYS 21 1HE LYS 21 -8.669 13.188 -12.508 151 HE3 LYS 21 2HE LYS 21 -9.668 14.347 -11.629 152 HZ1 LYS 21 3HZ LYS 21 -7.613 13.832 -10.443 153 HZ2 LYS 21 1HZ LYS 21 -8.889 13.338 -9.552 154 HZ3 LYS 21 2HZ LYS 21 -7.985 12.244 -10.371 155 H ALA 22 H ALA 22 -14.963 9.755 -11.910 156 HA ALA 22 HA ALA 22 -16.322 8.925 -9.488 157 HB1 ALA 22 1HB ALA 22 -17.536 9.994 -11.302 158 HB2 ALA 22 2HB ALA 22 -17.120 8.670 -12.418 159 HB3 ALA 22 3HB ALA 22 -18.179 8.369 -11.026 160 H ALA 23 H ALA 23 -14.671 7.077 -12.071 161 HA ALA 23 HA ALA 23 -15.483 4.477 -11.284 162 HB1 ALA 23 1HB ALA 23 -14.210 5.072 -13.362 163 HB2 ALA 23 2HB ALA 23 -12.764 5.361 -12.352 164 HB3 ALA 23 3HB ALA 23 -13.463 3.738 -12.452 165 H SER 24 H SER 24 -13.065 6.595 -9.820 166 HA SER 24 HA SER 24 -12.146 4.499 -7.947 167 HB2 SER 24 1HB SER 24 -10.591 6.129 -8.992 168 HB3 SER 24 2HB SER 24 -11.401 7.441 -8.116 169 HG SER 24 HG SER 24 -9.523 6.642 -7.008 170 H ARG 25 H ARG 25 -13.764 7.694 -7.703 171 HA ARG 25 HA ARG 25 -14.243 7.652 -4.920 172 HB2 ARG 25 1HB ARG 25 -14.246 9.624 -6.428 173 HB3 ARG 25 2HB ARG 25 -15.784 9.098 -7.103 174 HG2 ARG 25 1HG ARG 25 -16.074 10.878 -5.473 175 HG3 ARG 25 2HG ARG 25 -16.896 9.418 -4.937 176 HD2 ARG 25 1HD ARG 25 -15.050 8.948 -3.355 177 HD3 ARG 25 2HD ARG 25 -14.164 10.360 -3.933 178 HE ARG 25 HE ARG 25 -16.494 10.274 -2.147 179 HH11 ARG 25 1HH1 ARG 25 -14.558 12.444 -4.170 180 HH12 ARG 25 2HH1 ARG 25 -15.103 13.860 -3.321 181 HH21 ARG 25 1HH2 ARG 25 -17.152 12.137 -1.106 182 HH22 ARG 25 2HH2 ARG 25 -16.552 13.685 -1.616 183 H GLY 26 H GLY 26 -16.162 6.309 -7.557 184 HA2 GLY 26 1HA GLY 26 -18.584 5.749 -6.104 185 HA3 GLY 26 2HA GLY 26 -18.050 5.006 -7.634 186 H ASN 27 H ASN 27 -15.503 4.175 -6.036 187 HA ASN 27 HA ASN 27 -16.656 1.794 -4.629 188 HB2 ASN 27 1HB ASN 27 -13.946 2.324 -5.903 189 HB3 ASN 27 2HB ASN 27 -14.239 0.989 -4.790 190 HD21 ASN 27 2HD2 ASN 27 -13.985 1.531 -8.024 191 HD22 ASN 27 1HD2 ASN 27 -15.006 0.195 -8.545 192 H GLY 28 H GLY 28 -13.703 3.846 -4.220 193 HA2 GLY 28 1HA GLY 28 -13.030 5.140 -2.409 194 HA3 GLY 28 2HA GLY 28 -14.580 4.807 -1.597 195 H GLU 29 H GLU 29 -13.112 1.955 -2.556 196 HA GLU 29 HA GLU 29 -12.232 1.161 0.126 197 HB2 GLU 29 1HB GLU 29 -13.221 -0.145 -2.234 198 HB3 GLU 29 2HB GLU 29 -11.580 -0.659 -2.037 199 HG2 GLU 29 1HG GLU 29 -13.092 -2.190 -0.845 200 HG3 GLU 29 2HG GLU 29 -12.044 -1.365 0.303 201 H TYR 30 H TYR 30 -10.099 -0.311 -0.079 202 HA TYR 30 HA TYR 30 -7.958 0.596 -1.734 203 HB2 TYR 30 1HB TYR 30 -6.593 1.754 -0.142 204 HB3 TYR 30 2HB TYR 30 -8.115 2.604 -0.275 205 HD1 TYR 30 1HD TYR 30 -9.965 1.944 1.502 206 HD2 TYR 30 2HD TYR 30 -5.770 1.081 1.956 207 HE1 TYR 30 1HE TYR 30 -10.283 1.708 3.973 208 HE2 TYR 30 2HE TYR 30 -6.082 0.792 4.414 209 HH TYR 30 HH TYR 30 -9.275 1.241 5.994 210 H ALA 31 H ALA 31 -6.091 -0.573 -1.483 211 HA ALA 31 HA ALA 31 -5.724 -2.470 0.740 212 HB1 ALA 31 1HB ALA 31 -6.983 -3.926 -0.612 213 HB2 ALA 31 2HB ALA 31 -6.339 -3.273 -2.128 214 HB3 ALA 31 3HB ALA 31 -5.326 -4.301 -1.076 215 H TRP 32 H TRP 32 -3.626 -3.125 0.988 216 HA TRP 32 HA TRP 32 -1.546 -1.761 -0.678 217 HB2 TRP 32 1HB TRP 32 -1.629 -2.524 2.254 218 HB3 TRP 32 2HB TRP 32 -0.123 -2.257 1.399 219 HD1 TRP 32 HD TRP 32 -3.303 -0.236 2.267 220 HE1 TRP 32 1HE TRP 32 -2.699 2.254 2.307 221 HE3 TRP 32 3HE TRP 32 1.554 -0.568 0.682 222 HZ2 TRP 32 2HZ TRP 32 -0.235 3.847 2.141 223 HZ3 TRP 32 3HZ TRP 32 2.959 1.478 0.548 224 HH2 TRP 32 HH TRP 32 2.074 3.647 1.298 225 H TYR 33 H TYR 33 0.192 -2.920 -1.380 226 HA TYR 33 HA TYR 33 0.204 -5.876 -1.039 227 HB2 TYR 33 1HB TYR 33 0.296 -4.378 -3.683 228 HB3 TYR 33 2HB TYR 33 0.617 -6.088 -3.488 229 HD1 TYR 33 2HD TYR 33 -2.062 -3.492 -3.154 230 HD2 TYR 33 1HD TYR 33 -1.120 -7.682 -3.599 231 HE1 TYR 33 2HE TYR 33 -4.474 -3.989 -3.495 232 HE2 TYR 33 1HE TYR 33 -3.537 -8.180 -3.932 233 HH TYR 33 HH TYR 33 -6.038 -5.604 -3.970 234 H TYR 34 H TYR 34 2.205 -6.888 -1.456 235 HA TYR 34 HA TYR 34 4.565 -5.166 -2.022 236 HB2 TYR 34 1HB TYR 34 5.864 -6.153 -0.300 237 HB3 TYR 34 2HB TYR 34 4.402 -5.527 0.433 238 HD1 TYR 34 2HD TYR 34 2.564 -7.141 1.139 239 HD2 TYR 34 1HD TYR 34 6.447 -8.483 -0.180 240 HE1 TYR 34 2HE TYR 34 2.145 -9.356 2.175 241 HE2 TYR 34 1HE TYR 34 6.041 -10.695 0.878 242 HH TYR 34 HH TYR 34 2.983 -11.465 2.589 243 H GLU 35 H GLU 35 6.285 -6.231 -3.140 244 HA GLU 35 HA GLU 35 5.506 -8.671 -4.602 245 HB2 GLU 35 1HB GLU 35 8.052 -7.014 -4.714 246 HB3 GLU 35 2HB GLU 35 7.738 -8.481 -5.654 247 HG2 GLU 35 1HG GLU 35 5.573 -7.273 -6.454 248 HG3 GLU 35 2HG GLU 35 6.348 -5.804 -5.846 249 H GLY 36 H GLY 36 5.460 -10.439 -3.418 250 HA2 GLY 36 1HA GLY 36 7.616 -11.108 -1.452 251 HA3 GLY 36 2HA GLY 36 6.021 -11.839 -1.563 252 H ARG 37 H ARG 37 6.499 -13.919 -1.799 253 HA ARG 37 HA ARG 37 8.747 -15.053 -2.953 254 HB2 ARG 37 1HB ARG 37 7.453 -17.193 -2.887 255 HB3 ARG 37 2HB ARG 37 7.469 -16.274 -1.381 256 HG2 ARG 37 1HG ARG 37 5.192 -15.519 -1.708 257 HG3 ARG 37 2HG ARG 37 5.143 -16.174 -3.350 258 HD2 ARG 37 1HD ARG 37 5.366 -18.472 -2.448 259 HD3 ARG 37 2HD ARG 37 5.448 -17.818 -0.811 260 HE ARG 37 HE ARG 37 3.171 -17.426 -0.810 261 HH11 ARG 37 1HH1 ARG 37 4.065 -18.244 -4.149 262 HH12 ARG 37 2HH1 ARG 37 2.400 -18.434 -4.624 263 HH21 ARG 37 1HH2 ARG 37 1.067 -17.621 -1.523 264 HH22 ARG 37 2HH2 ARG 37 0.735 -18.031 -3.178 265 H ASN 38 H ASN 38 5.808 -14.240 -4.703 266 HA ASN 38 HA ASN 38 6.997 -15.193 -7.243 267 HB2 ASN 38 1HB ASN 38 4.283 -16.099 -6.215 268 HB3 ASN 38 2HB ASN 38 4.867 -16.361 -7.850 269 HD21 ASN 38 2HD2 ASN 38 6.711 -17.852 -8.158 270 HD22 ASN 38 1HD2 ASN 38 6.981 -19.065 -6.918 271 H GLY 39 H GLY 39 5.189 -12.791 -5.654 272 HA2 GLY 39 1HA GLY 39 4.990 -10.940 -7.734 273 HA3 GLY 39 2HA GLY 39 3.512 -11.878 -7.828 274 H TRP 40 H TRP 40 2.481 -9.772 -7.340 275 HA TRP 40 HA TRP 40 2.755 -8.470 -4.820 276 HB2 TRP 40 1HB TRP 40 0.481 -8.521 -6.836 277 HB3 TRP 40 2HB TRP 40 0.619 -7.399 -5.492 278 HD1 TRP 40 HD TRP 40 1.614 -7.825 -9.029 279 HE1 TRP 40 1HE TRP 40 3.180 -5.956 -9.796 280 HE3 TRP 40 3HE TRP 40 2.791 -5.847 -4.466 281 HZ2 TRP 40 2HZ TRP 40 4.654 -3.764 -8.587 282 HZ3 TRP 40 3HZ TRP 40 4.290 -3.889 -4.300 283 HH2 TRP 40 HH TRP 40 5.201 -2.813 -6.340 284 H TRP 41 H TRP 41 2.122 -9.094 -2.885 285 HA TRP 41 HA TRP 41 -0.319 -10.794 -2.547 286 HB2 TRP 41 1HB TRP 41 2.236 -10.807 -0.899 287 HB3 TRP 41 2HB TRP 41 0.778 -11.737 -0.550 288 HD1 TRP 41 HD TRP 41 3.993 -12.243 -2.002 289 HE1 TRP 41 1HE TRP 41 4.088 -14.176 -3.703 290 HE3 TRP 41 3HE TRP 41 -1.019 -12.942 -2.698 291 HZ2 TRP 41 2HZ TRP 41 2.222 -15.657 -5.325 292 HZ3 TRP 41 3HZ TRP 41 -1.840 -14.561 -4.350 293 HH2 TRP 41 HH TRP 41 -0.239 -15.943 -5.684 294 H GLN 42 H GLN 42 -1.793 -10.143 -1.053 295 HA GLN 42 HA GLN 42 -1.730 -7.301 -0.443 296 HB2 GLN 42 1HB GLN 42 -3.706 -8.704 -1.329 297 HB3 GLN 42 2HB GLN 42 -3.882 -9.302 0.323 298 HG2 GLN 42 1HG GLN 42 -4.102 -6.874 1.072 299 HG3 GLN 42 2HG GLN 42 -4.071 -6.407 -0.628 300 HE21 GLN 42 2HE2 GLN 42 -5.981 -6.944 -1.977 301 HE22 GLN 42 1HE2 GLN 42 -7.467 -7.444 -1.189 302 H TYR 43 H TYR 43 -1.533 -6.304 1.513 303 HA TYR 43 HA TYR 43 -0.575 -7.711 3.880 304 HB2 TYR 43 1HB TYR 43 -1.412 -4.876 3.233 305 HB3 TYR 43 2HB TYR 43 -1.032 -5.356 4.878 306 HD1 TYR 43 1HD TYR 43 1.259 -6.131 5.496 307 HD2 TYR 43 2HD TYR 43 0.350 -4.503 1.623 308 HE1 TYR 43 1HE TYR 43 3.655 -5.589 5.165 309 HE2 TYR 43 2HE TYR 43 2.744 -3.914 1.289 310 HH TYR 43 HH TYR 43 5.208 -4.630 3.778 311 H ASP 44 H ASP 44 -1.608 -7.647 5.985 312 HA ASP 44 HA ASP 44 -4.445 -8.374 5.931 313 HB2 ASP 44 1HB ASP 44 -2.511 -9.320 7.406 314 HB3 ASP 44 2HB ASP 44 -2.821 -7.930 8.441 315 H GLU 45 H GLU 45 -5.971 -7.371 7.503 316 HA GLU 45 HA GLU 45 -6.202 -4.517 6.912 317 HB2 GLU 45 1HB GLU 45 -8.346 -4.651 8.088 318 HB3 GLU 45 2HB GLU 45 -8.186 -5.833 6.791 319 HG2 GLU 45 1HG GLU 45 -7.789 -7.633 8.401 320 HG3 GLU 45 2HG GLU 45 -7.763 -6.479 9.737 321 H ARG 46 H ARG 46 -4.913 -6.334 9.568 322 HA ARG 46 HA ARG 46 -4.995 -4.234 11.584 323 HB2 ARG 46 1HB ARG 46 -3.141 -6.638 11.263 324 HB3 ARG 46 2HB ARG 46 -3.088 -5.501 12.604 325 HG2 ARG 46 1HG ARG 46 -4.304 -7.242 13.453 326 HG3 ARG 46 2HG ARG 46 -5.539 -6.034 13.033 327 HD2 ARG 46 1HD ARG 46 -6.118 -7.296 11.021 328 HD3 ARG 46 2HD ARG 46 -4.744 -8.384 11.293 329 HE ARG 46 HE ARG 46 -6.478 -8.472 13.553 330 HH11 ARG 46 1HH1 ARG 46 -6.409 -9.513 10.164 331 HH12 ARG 46 2HH1 ARG 46 -7.541 -10.809 10.446 332 HH21 ARG 46 1HH2 ARG 46 -7.924 -10.178 13.849 333 HH22 ARG 46 2HH2 ARG 46 -8.380 -11.182 12.506 334 H THR 47 H THR 47 -2.792 -5.253 9.123 335 HA THR 47 HA THR 47 -0.643 -3.385 9.809 336 HB THR 47 HB THR 47 -0.817 -5.466 7.591 337 HG1 THR 47 1HG THR 47 0.343 -6.688 9.174 338 HG21 THR 47 3HG2 THR 47 1.699 -5.396 7.852 339 HG22 THR 47 1HG2 THR 47 0.999 -3.921 7.152 340 HG23 THR 47 2HG2 THR 47 1.491 -3.936 8.855 341 H SER 48 H SER 48 -2.658 -3.892 6.862 342 HA SER 48 HA SER 48 -1.375 -1.865 5.332 343 HB2 SER 48 1HB SER 48 -3.347 -1.948 3.881 344 HB3 SER 48 2HB SER 48 -2.729 -3.553 4.274 345 HG SER 48 HG SER 48 -4.442 -3.935 5.582 346 H ARG 49 H ARG 49 -3.993 -1.553 7.694 347 HA ARG 49 HA ARG 49 -4.696 1.122 7.026 348 HB2 ARG 49 1HB ARG 49 -5.908 1.209 9.016 349 HB3 ARG 49 2HB ARG 49 -5.998 -0.444 8.449 350 HG2 ARG 49 1HG ARG 49 -5.664 -0.750 10.707 351 HG3 ARG 49 2HG ARG 49 -4.057 -0.960 10.051 352 HD2 ARG 49 1HD ARG 49 -4.179 0.322 12.220 353 HD3 ARG 49 2HD ARG 49 -3.325 1.135 10.932 354 HE ARG 49 HE ARG 49 -6.176 1.827 11.282 355 HH11 ARG 49 1HH1 ARG 49 -2.837 2.824 12.044 356 HH12 ARG 49 2HH1 ARG 49 -3.272 4.528 11.960 357 HH21 ARG 49 1HH2 ARG 49 -6.627 4.047 11.373 358 HH22 ARG 49 2HH2 ARG 49 -5.340 5.166 11.740 359 H GLU 50 H GLU 50 -1.873 -0.131 8.756 360 HA GLU 50 HA GLU 50 -1.221 2.410 10.052 361 HB2 GLU 50 1HB GLU 50 0.585 0.048 9.380 362 HB3 GLU 50 2HB GLU 50 0.997 1.379 10.443 363 HG2 GLU 50 1HG GLU 50 -1.345 -0.490 11.009 364 HG3 GLU 50 2HG GLU 50 0.299 -0.817 11.530 365 H LEU 51 H LEU 51 -0.387 0.778 7.042 366 HA LEU 51 HA LEU 51 1.546 2.662 6.041 367 HB2 LEU 51 1HB LEU 51 -0.233 0.750 4.476 368 HB3 LEU 51 2HB LEU 51 1.339 1.378 4.002 369 HG LEU 51 HG LEU 51 0.825 -0.591 6.285 370 HD11 LEU 51 1HD1 LEU 51 0.419 -1.542 4.059 371 HD12 LEU 51 2HD1 LEU 51 2.052 -1.056 3.549 372 HD13 LEU 51 3HD1 LEU 51 1.832 -2.254 4.850 373 HD21 LEU 51 3HD2 LEU 51 3.305 -0.842 6.271 374 HD22 LEU 51 1HD2 LEU 51 3.402 0.534 5.146 375 HD23 LEU 51 2HD2 LEU 51 2.782 0.761 6.796 376 H GLU 52 H GLU 52 -1.936 2.186 5.450 377 HA GLU 52 HA GLU 52 -2.362 4.366 3.713 378 HB2 GLU 52 1HB GLU 52 -3.882 2.369 4.232 379 HB3 GLU 52 2HB GLU 52 -4.328 3.199 5.714 380 HG2 GLU 52 1HG GLU 52 -6.046 3.643 4.155 381 HG3 GLU 52 2HG GLU 52 -5.152 5.140 4.310 382 H ASP 53 H ASP 53 -2.253 4.301 7.279 383 HA ASP 53 HA ASP 53 -3.443 6.943 7.608 384 HB2 ASP 53 1HB ASP 53 -3.540 4.946 9.172 385 HB3 ASP 53 2HB ASP 53 -1.870 5.258 9.601 386 H ALA 54 H ALA 54 -0.235 5.562 7.556 387 HA ALA 54 HA ALA 54 1.304 7.640 8.638 388 HB1 ALA 54 1HB ALA 54 2.171 5.455 8.310 389 HB2 ALA 54 2HB ALA 54 1.927 5.531 6.551 390 HB3 ALA 54 3HB ALA 54 3.172 6.545 7.323 391 H PHE 55 H PHE 55 0.609 7.263 5.085 392 HA PHE 55 HA PHE 55 1.919 9.771 4.467 393 HB2 PHE 55 1HB PHE 55 1.192 9.509 2.273 394 HB3 PHE 55 2HB PHE 55 1.567 7.904 2.849 395 HD1 PHE 55 1HD PHE 55 -1.230 10.241 2.088 396 HD2 PHE 55 2HD PHE 55 -0.072 6.148 2.769 397 HE1 PHE 55 1HE PHE 55 -3.417 9.474 1.183 398 HE2 PHE 55 2HE PHE 55 -2.226 5.388 1.806 399 HZ PHE 55 HZ PHE 55 -3.910 7.038 1.033 400 H SER 56 H SER 56 -1.177 8.986 5.682 401 HA SER 56 HA SER 56 -2.482 11.541 5.029 402 HB2 SER 56 1HB SER 56 -3.550 9.190 5.408 403 HB3 SER 56 2HB SER 56 -3.424 9.583 7.123 404 HG SER 56 HG SER 56 -5.452 10.234 6.205 405 H LYS 57 H LYS 57 -0.627 10.218 7.755 406 HA LYS 57 HA LYS 57 -1.137 12.441 9.586 407 HB2 LYS 57 1HB LYS 57 0.865 10.164 9.456 408 HB3 LYS 57 2HB LYS 57 0.899 11.376 10.737 409 HG2 LYS 57 1HG LYS 57 -1.079 10.648 11.720 410 HG3 LYS 57 2HG LYS 57 -1.697 9.919 10.237 411 HD2 LYS 57 1HD LYS 57 -1.012 8.181 11.860 412 HD3 LYS 57 2HD LYS 57 -0.124 8.108 10.352 413 HE2 LYS 57 1HE LYS 57 1.630 7.828 11.778 414 HE3 LYS 57 2HE LYS 57 1.684 9.572 11.609 415 HZ1 LYS 57 3HZ LYS 57 1.783 8.960 13.952 416 HZ2 LYS 57 1HZ LYS 57 0.391 9.767 13.678 417 HZ3 LYS 57 2HZ LYS 57 0.371 8.143 13.860 418 H GLY 58 H GLY 58 1.524 11.546 7.367 419 HA2 GLY 58 1HA GLY 58 2.488 13.490 6.094 420 HA3 GLY 58 2HA GLY 58 2.722 14.293 7.661 421 H LYS 59 H LYS 59 3.384 11.130 8.388 422 HA LYS 59 HA LYS 59 6.249 11.468 8.175 423 HB2 LYS 59 1HB LYS 59 6.306 9.049 8.915 424 HB3 LYS 59 2HB LYS 59 5.539 10.177 10.017 425 HG2 LYS 59 1HG LYS 59 3.341 9.429 9.479 426 HG3 LYS 59 2HG LYS 59 3.928 8.570 8.047 427 HD2 LYS 59 1HD LYS 59 3.350 7.046 9.916 428 HD3 LYS 59 2HD LYS 59 5.010 6.906 9.382 429 HE2 LYS 59 1HE LYS 59 5.772 8.287 11.303 430 HE3 LYS 59 2HE LYS 59 4.102 8.426 11.863 431 HZ1 LYS 59 3HZ LYS 59 5.261 6.640 13.016 432 HZ2 LYS 59 1HZ LYS 59 4.086 5.969 12.093 433 HZ3 LYS 59 2HZ LYS 59 5.639 5.894 11.614 434 H LYS 60 H LYS 60 7.715 10.277 6.983 435 HA LYS 60 HA LYS 60 6.791 9.580 4.237 436 HB2 LYS 60 1HB LYS 60 8.911 10.204 3.471 437 HB3 LYS 60 2HB LYS 60 8.437 11.421 4.651 438 HG2 LYS 60 1HG LYS 60 9.901 10.175 6.336 439 HG3 LYS 60 2HG LYS 60 10.490 9.207 4.969 440 HD2 LYS 60 1HD LYS 60 11.185 11.359 3.837 441 HD3 LYS 60 2HD LYS 60 10.658 12.238 5.266 442 HE2 LYS 60 1HE LYS 60 13.041 12.003 5.360 443 HE3 LYS 60 2HE LYS 60 12.337 11.031 6.653 444 HZ1 LYS 60 3HZ LYS 60 14.145 9.921 5.347 445 HZ2 LYS 60 1HZ LYS 60 12.759 9.056 5.358 446 HZ3 LYS 60 2HZ LYS 60 13.169 9.904 4.025 447 H ASN 61 H ASN 61 7.310 7.872 6.950 448 HA ASN 61 HA ASN 61 7.414 5.356 5.683 449 HB2 ASN 61 1HB ASN 61 9.542 4.465 6.483 450 HB3 ASN 61 2HB ASN 61 9.859 5.824 5.420 451 HD21 ASN 61 2HD2 ASN 61 10.273 7.927 6.475 452 HD22 ASN 61 1HD2 ASN 61 11.111 7.960 8.019 453 H THR 62 H THR 62 7.156 3.641 7.207 454 HA THR 62 HA THR 62 6.596 4.331 10.028 455 HB THR 62 HB THR 62 4.567 4.887 8.632 456 HG1 THR 62 1HG THR 62 3.278 3.843 10.297 457 HG21 THR 62 3HG2 THR 62 3.047 3.058 8.082 458 HG22 THR 62 1HG2 THR 62 4.559 2.837 7.187 459 HG23 THR 62 2HG2 THR 62 4.222 1.846 8.623 460 H GLU 63 H GLU 63 5.671 2.267 11.157 461 HA GLU 63 HA GLU 63 7.495 0.005 10.421 462 HB2 GLU 63 1HB GLU 63 6.954 1.344 13.098 463 HB3 GLU 63 2HB GLU 63 7.676 -0.263 12.951 464 HG2 GLU 63 1HG GLU 63 9.491 0.622 11.579 465 HG3 GLU 63 2HG GLU 63 8.822 2.250 11.665 466 H MET 64 H MET 64 6.850 -2.022 10.768 467 HA MET 64 HA MET 64 4.161 -2.646 11.836 468 HB2 MET 64 1HB MET 64 3.632 -3.877 9.702 469 HB3 MET 64 2HB MET 64 3.609 -2.119 9.575 470 HG2 MET 64 1HG MET 64 5.801 -2.106 8.513 471 HG3 MET 64 2HG MET 64 5.998 -3.835 8.802 472 HE1 MET 64 3HE MET 64 6.044 -3.547 5.045 473 HE2 MET 64 1HE MET 64 6.942 -3.203 6.523 474 HE3 MET 64 2HE MET 64 6.346 -4.855 6.218 475 H LEU 65 H LEU 65 3.807 -4.759 12.317 476 HA LEU 65 HA LEU 65 6.189 -6.507 12.555 477 HB2 LEU 65 1HB LEU 65 4.409 -5.591 14.505 478 HB3 LEU 65 2HB LEU 65 3.713 -7.138 14.096 479 HG LEU 65 HG LEU 65 5.150 -7.318 15.995 480 HD11 LEU 65 1HD1 LEU 65 5.124 -9.275 14.521 481 HD12 LEU 65 2HD1 LEU 65 6.596 -8.681 13.717 482 HD13 LEU 65 3HD1 LEU 65 6.638 -9.119 15.427 483 HD21 LEU 65 3HD2 LEU 65 7.503 -6.766 16.012 484 HD22 LEU 65 1HD2 LEU 65 7.471 -6.365 14.284 485 HD23 LEU 65 2HD2 LEU 65 6.574 -5.360 15.439 486 H ILE 66 H ILE 66 6.148 -8.494 11.838 487 HA ILE 66 HA ILE 66 3.783 -9.465 10.226 488 HB ILE 66 HB ILE 66 5.210 -10.383 8.600 489 HG12 ILE 66 1HG1 ILE 66 7.759 -9.141 9.266 490 HG13 ILE 66 2HG1 ILE 66 7.290 -10.190 10.575 491 HG21 ILE 66 1HG2 ILE 66 4.434 -8.024 8.436 492 HG22 ILE 66 2HG2 ILE 66 6.001 -7.482 9.064 493 HG23 ILE 66 3HG2 ILE 66 5.905 -8.371 7.527 494 HD11 ILE 66 3HD1 ILE 66 8.671 -11.276 8.734 495 HD12 ILE 66 1HD1 ILE 66 7.203 -12.133 9.197 496 HD13 ILE 66 2HD1 ILE 66 7.229 -11.180 7.709 497 H ALA 67 H ALA 67 5.089 -12.023 9.643 498 HA ALA 67 HA ALA 67 4.077 -13.635 11.702 499 HB1 ALA 67 1HB ALA 67 4.452 -14.285 9.322 500 HB2 ALA 67 2HB ALA 67 6.213 -14.222 9.593 501 HB3 ALA 67 3HB ALA 67 5.224 -15.432 10.437 502 H GLY 68 H GLY 68 7.141 -12.008 11.726 503 HA2 GLY 68 1HA GLY 68 7.786 -12.883 14.362 504 HA3 GLY 68 2HA GLY 68 8.739 -13.817 13.228 505 H PHE 69 H PHE 69 8.094 -10.498 12.284 506 HA PHE 69 HA PHE 69 10.759 -9.549 13.144 507 HB2 PHE 69 1HB PHE 69 9.977 -9.944 10.223 508 HB3 PHE 69 2HB PHE 69 11.380 -9.061 10.771 509 HD1 PHE 69 1HD PHE 69 13.330 -10.208 11.765 510 HD2 PHE 69 2HD PHE 69 9.960 -12.420 10.227 511 HE1 PHE 69 1HE PHE 69 14.703 -12.274 11.715 512 HE2 PHE 69 2HE PHE 69 11.336 -14.480 10.175 513 HZ PHE 69 HZ PHE 69 13.710 -14.414 10.921 514 H LEU 70 H LEU 70 11.109 -7.344 12.839 515 HA LEU 70 HA LEU 70 8.724 -5.627 12.367 516 HB2 LEU 70 1HB LEU 70 10.326 -5.398 14.405 517 HB3 LEU 70 2HB LEU 70 11.511 -4.818 13.250 518 HG LEU 70 HG LEU 70 10.598 -2.958 14.367 519 HD11 LEU 70 1HD1 LEU 70 10.868 -2.695 11.842 520 HD12 LEU 70 2HD1 LEU 70 9.088 -2.797 11.761 521 HD13 LEU 70 3HD1 LEU 70 9.858 -1.509 12.680 522 HD21 LEU 70 3HD2 LEU 70 8.183 -2.383 14.378 523 HD22 LEU 70 1HD2 LEU 70 7.815 -3.934 13.596 524 HD23 LEU 70 2HD2 LEU 70 8.525 -3.904 15.223 525 H TYR 71 H TYR 71 8.471 -4.734 10.467 526 HA TYR 71 HA TYR 71 10.820 -4.220 8.691 527 HB2 TYR 71 1HB TYR 71 8.017 -4.958 7.844 528 HB3 TYR 71 2HB TYR 71 9.300 -4.440 6.752 529 HD1 TYR 71 2HD TYR 71 11.623 -6.081 7.987 530 HD2 TYR 71 1HD TYR 71 7.572 -7.096 6.919 531 HE1 TYR 71 2HE TYR 71 12.266 -8.471 7.748 532 HE2 TYR 71 1HE TYR 71 8.199 -9.464 6.746 533 HH TYR 71 HH TYR 71 9.972 -11.017 6.805 534 H VAL 72 H VAL 72 11.045 -2.299 7.846 535 HA VAL 72 HA VAL 72 9.284 -0.063 8.712 536 HB VAL 72 HB VAL 72 11.993 0.042 7.333 537 HG11 VAL 72 1HG1 VAL 72 10.630 2.087 6.996 538 HG12 VAL 72 2HG1 VAL 72 10.378 2.213 8.751 539 HG13 VAL 72 3HG1 VAL 72 12.003 2.413 8.061 540 HG21 VAL 72 3HG2 VAL 72 12.931 0.705 9.522 541 HG22 VAL 72 1HG2 VAL 72 11.375 0.341 10.293 542 HG23 VAL 72 2HG2 VAL 72 12.325 -0.954 9.527 543 H ALA 73 H ALA 73 7.850 0.668 7.248 544 HA ALA 73 HA ALA 73 8.095 -0.053 4.352 545 HB1 ALA 73 1HB ALA 73 6.057 -0.849 5.481 546 HB2 ALA 73 2HB ALA 73 5.704 0.807 6.027 547 HB3 ALA 73 3HB ALA 73 5.675 0.411 4.291 548 H ASP 74 H ASP 74 8.801 1.481 3.075 549 HA ASP 74 HA ASP 74 8.961 4.302 3.976 550 HB2 ASP 74 1HB ASP 74 11.058 3.132 3.550 551 HB3 ASP 74 2HB ASP 74 10.519 2.683 1.933 552 H LEU 75 H LEU 75 7.554 5.674 3.178 553 HA LEU 75 HA LEU 75 5.919 5.169 0.823 554 HB2 LEU 75 1HB LEU 75 6.194 7.435 2.840 555 HB3 LEU 75 2HB LEU 75 5.145 7.572 1.460 556 HG LEU 75 HG LEU 75 4.792 5.194 3.326 557 HD11 LEU 75 1HD1 LEU 75 4.731 7.093 4.848 558 HD12 LEU 75 2HD1 LEU 75 3.695 8.011 3.735 559 HD13 LEU 75 3HD1 LEU 75 3.070 6.553 4.531 560 HD21 LEU 75 3HD2 LEU 75 2.468 5.440 2.516 561 HD22 LEU 75 1HD2 LEU 75 2.983 6.774 1.462 562 HD23 LEU 75 2HD2 LEU 75 3.647 5.148 1.213 563 H GLU 76 H GLU 76 8.970 6.808 1.359 564 HA GLU 76 HA GLU 76 8.783 8.748 -0.745 565 HB2 GLU 76 1HB GLU 76 11.276 7.393 0.376 566 HB3 GLU 76 2HB GLU 76 11.224 8.801 -0.664 567 HG2 GLU 76 1HG GLU 76 9.770 9.827 1.264 568 HG3 GLU 76 2HG GLU 76 10.417 8.516 2.238 569 H ASN 77 H ASN 77 10.335 5.539 -0.672 570 HA ASN 77 HA ASN 77 10.705 5.529 -3.622 571 HB2 ASN 77 1HB ASN 77 11.822 3.755 -1.410 572 HB3 ASN 77 2HB ASN 77 12.263 3.679 -3.112 573 HD21 ASN 77 2HD2 ASN 77 12.386 5.811 -0.196 574 HD22 ASN 77 1HD2 ASN 77 13.826 6.670 -0.745 575 H MET 78 H MET 78 8.500 4.440 -1.379 576 HA MET 78 HA MET 78 6.917 2.808 -1.160 577 HB2 MET 78 1HB MET 78 7.062 2.544 -4.173 578 HB3 MET 78 2HB MET 78 5.794 1.936 -3.099 579 HG2 MET 78 1HG MET 78 6.182 4.800 -2.666 580 HG3 MET 78 2HG MET 78 5.955 4.459 -4.370 581 HE1 MET 78 3HE MET 78 2.904 3.675 -1.007 582 HE2 MET 78 1HE MET 78 4.451 2.804 -1.067 583 HE3 MET 78 2HE MET 78 4.429 4.573 -0.855 584 H VAL 79 H VAL 79 8.864 1.780 -0.105 585 HA VAL 79 HA VAL 79 9.066 -1.018 -1.075 586 HB VAL 79 HB VAL 79 11.490 -1.192 -0.597 587 HG11 VAL 79 1HG1 VAL 79 10.745 -0.834 -2.927 588 HG12 VAL 79 2HG1 VAL 79 10.965 0.919 -2.716 589 HG13 VAL 79 3HG1 VAL 79 12.355 -0.178 -2.599 590 HG21 VAL 79 3HG2 VAL 79 12.880 0.845 -0.400 591 HG22 VAL 79 1HG2 VAL 79 11.413 1.828 -0.263 592 HG23 VAL 79 2HG2 VAL 79 11.800 0.613 0.974 593 H GLN 80 H GLN 80 10.091 -2.467 0.660 594 HA GLN 80 HA GLN 80 9.924 -1.376 3.386 595 HB2 GLN 80 1HB GLN 80 8.404 -3.085 4.186 596 HB3 GLN 80 2HB GLN 80 7.669 -2.170 2.889 597 HG2 GLN 80 1HG GLN 80 7.061 -4.232 2.174 598 HG3 GLN 80 2HG GLN 80 8.589 -4.156 1.341 599 HE21 GLN 80 2HE2 GLN 80 7.884 -6.594 1.433 600 HE22 GLN 80 1HE2 GLN 80 8.465 -7.498 2.836 601 H TYR 81 H TYR 81 11.173 -2.353 4.898 602 HA TYR 81 HA TYR 81 12.945 -4.618 4.256 603 HB2 TYR 81 1HB TYR 81 14.963 -3.103 4.517 604 HB3 TYR 81 2HB TYR 81 14.068 -2.994 3.029 605 HD1 TYR 81 2HD TYR 81 14.265 -1.249 6.384 606 HD2 TYR 81 1HD TYR 81 13.579 -0.916 2.142 607 HE1 TYR 81 2HE TYR 81 14.167 1.214 6.595 608 HE2 TYR 81 1HE TYR 81 13.554 1.535 2.320 609 HH TYR 81 HH TYR 81 13.682 3.364 3.756 610 H ARG 82 H ARG 82 14.625 -4.966 5.992 611 HA ARG 82 HA ARG 82 13.525 -4.690 8.698 612 HB2 ARG 82 1HB ARG 82 16.175 -5.754 7.620 613 HB3 ARG 82 2HB ARG 82 15.780 -5.686 9.343 614 HG2 ARG 82 1HG ARG 82 13.756 -7.059 8.954 615 HG3 ARG 82 2HG ARG 82 14.189 -7.210 7.242 616 HD2 ARG 82 1HD ARG 82 15.852 -8.175 9.609 617 HD3 ARG 82 2HD ARG 82 14.839 -9.201 8.599 618 HE ARG 82 HE ARG 82 17.485 -8.112 7.984 619 HH11 ARG 82 1HH1 ARG 82 14.564 -9.400 6.423 620 HH12 ARG 82 2HH1 ARG 82 15.421 -9.818 4.962 621 HH21 ARG 82 1HH2 ARG 82 18.529 -8.845 6.165 622 HH22 ARG 82 2HH2 ARG 82 17.653 -9.691 4.902 623 H ARG 83 H ARG 83 14.233 -3.375 10.347 624 HA ARG 83 HA ARG 83 14.968 -0.749 9.936 625 HB2 ARG 83 1HB ARG 83 15.425 -2.561 12.338 626 HB3 ARG 83 2HB ARG 83 15.828 -0.843 12.362 627 HG2 ARG 83 1HG ARG 83 13.517 -0.213 11.915 628 HG3 ARG 83 2HG ARG 83 13.043 -1.912 11.763 629 HD2 ARG 83 1HD ARG 83 12.424 -0.996 13.974 630 HD3 ARG 83 2HD ARG 83 13.530 -2.356 14.084 631 HE ARG 83 HE ARG 83 15.229 -0.990 14.885 632 HH11 ARG 83 1HH1 ARG 83 12.398 1.081 14.223 633 HH12 ARG 83 2HH1 ARG 83 13.188 2.466 14.914 634 HH21 ARG 83 1HH2 ARG 83 16.115 0.833 15.797 635 HH22 ARG 83 2HH2 ARG 83 15.221 2.321 15.828 636 H ASN 84 H ASN 84 17.290 -3.409 10.471 637 HA ASN 84 HA ASN 84 19.569 -1.523 10.296 638 HB2 ASN 84 1HB ASN 84 19.376 -4.425 11.138 639 HB3 ASN 84 2HB ASN 84 20.881 -3.510 11.058 640 HD21 ASN 84 2HD2 ASN 84 18.389 -4.393 13.150 641 HD22 ASN 84 1HD2 ASN 84 18.636 -3.138 14.353 642 H GLU 85 H GLU 85 17.875 -3.385 8.015 643 HA GLU 85 HA GLU 85 20.272 -3.511 6.241 644 HB2 GLU 85 1HB GLU 85 18.142 -5.667 6.466 645 HB3 GLU 85 2HB GLU 85 19.241 -5.457 5.103 646 HG2 GLU 85 1HG GLU 85 20.385 -6.997 6.281 647 HG3 GLU 85 2HG GLU 85 21.155 -5.489 6.786 648 H HIS 86 H HIS 86 19.628 -1.418 5.712 649 HA HIS 86 HA HIS 86 17.241 -0.876 4.160 650 HB2 HIS 86 1HB HIS 86 19.930 0.540 4.361 651 HB3 HIS 86 2HB HIS 86 18.545 1.156 3.459 652 HD2 HIS 86 2HD HIS 86 19.463 0.229 7.142 653 HE1 HIS 86 1HE HIS 86 16.262 3.025 7.278 654 HE2 HIS 86 2HE HIS 86 17.879 1.635 8.683 655 H GLY 87 H GLY 87 20.079 -2.638 3.437 656 HA2 GLY 87 1HA GLY 87 19.898 -2.414 0.487 657 HA3 GLY 87 2HA GLY 87 21.053 -3.387 1.432 658 H ARG 88 H ARG 88 18.207 -4.216 2.836 659 HA ARG 88 HA ARG 88 17.535 -6.344 0.835 660 HB2 ARG 88 1HB ARG 88 17.635 -6.575 3.866 661 HB3 ARG 88 2HB ARG 88 16.939 -7.783 2.792 662 HG2 ARG 88 1HG ARG 88 19.851 -6.870 2.777 663 HG3 ARG 88 2HG ARG 88 19.251 -8.372 3.462 664 HD2 ARG 88 1HD ARG 88 19.116 -7.590 0.514 665 HD3 ARG 88 2HD ARG 88 20.280 -8.669 1.221 666 HE ARG 88 HE ARG 88 18.036 -9.942 1.982 667 HH11 ARG 88 1HH1 ARG 88 19.058 -8.766 -1.207 668 HH12 ARG 88 2HH1 ARG 88 18.064 -9.913 -2.052 669 HH21 ARG 88 1HH2 ARG 88 16.646 -11.320 0.796 670 HH22 ARG 88 2HH2 ARG 88 16.775 -11.353 -0.934 671 H ARG 89 H ARG 89 16.071 -5.237 -0.120 672 HA ARG 89 HA ARG 89 13.598 -4.484 1.363 673 HB2 ARG 89 1HB ARG 89 13.423 -2.382 0.274 674 HB3 ARG 89 2HB ARG 89 14.986 -2.489 1.068 675 HG2 ARG 89 1HG ARG 89 15.994 -3.076 -1.200 676 HG3 ARG 89 2HG ARG 89 14.407 -2.653 -1.898 677 HD2 ARG 89 1HD ARG 89 14.599 -0.403 -0.839 678 HD3 ARG 89 2HD ARG 89 16.218 -0.837 -0.261 679 HE ARG 89 HE ARG 89 16.114 -1.285 -3.063 680 HH11 ARG 89 1HH1 ARG 89 16.127 1.473 -0.846 681 HH12 ARG 89 2HH1 ARG 89 16.777 2.550 -2.045 682 HH21 ARG 89 1HH2 ARG 89 16.965 0.156 -4.558 683 HH22 ARG 89 2HH2 ARG 89 17.254 1.809 -4.112 684 H ARG 90 H ARG 90 11.693 -4.464 0.329 685 HA ARG 90 HA ARG 90 11.456 -5.759 -2.376 686 HB2 ARG 90 1HB ARG 90 9.840 -6.173 0.172 687 HB3 ARG 90 2HB ARG 90 9.281 -6.689 -1.424 688 HG2 ARG 90 1HG ARG 90 11.220 -8.158 -1.683 689 HG3 ARG 90 2HG ARG 90 11.862 -7.649 -0.110 690 HD2 ARG 90 1HD ARG 90 9.976 -8.599 1.068 691 HD3 ARG 90 2HD ARG 90 9.117 -8.944 -0.431 692 HE ARG 90 HE ARG 90 11.224 -10.533 0.813 693 HH11 ARG 90 1HH1 ARG 90 9.662 -9.972 -2.342 694 HH12 ARG 90 2HH1 ARG 90 10.310 -11.457 -2.977 695 HH21 ARG 90 1HH2 ARG 90 11.893 -12.296 0.041 696 HH22 ARG 90 2HH2 ARG 90 11.598 -12.827 -1.620 697 H LYS 91 H LYS 91 10.007 -4.831 -3.761 698 HA LYS 91 HA LYS 91 9.053 -2.151 -3.362 699 HB2 LYS 91 1HB LYS 91 8.925 -4.290 -5.441 700 HB3 LYS 91 2HB LYS 91 7.554 -3.215 -5.446 701 HG2 LYS 91 1HG LYS 91 10.420 -2.207 -5.526 702 HG3 LYS 91 2HG LYS 91 9.495 -2.589 -6.979 703 HD2 LYS 91 1HD LYS 91 8.611 -0.566 -4.897 704 HD3 LYS 91 2HD LYS 91 9.497 -0.141 -6.353 705 HE2 LYS 91 1HE LYS 91 7.715 -0.630 -7.778 706 HE3 LYS 91 2HE LYS 91 6.936 -1.719 -6.636 707 HZ1 LYS 91 3HZ LYS 91 5.799 0.444 -6.853 708 HZ2 LYS 91 1HZ LYS 91 6.227 0.132 -5.312 709 HZ3 LYS 91 2HZ LYS 91 7.098 1.206 -6.216 710 H ILE 92 H ILE 92 7.092 -1.288 -2.871 711 HA ILE 92 HA ILE 92 4.784 -3.114 -2.375 712 HB ILE 92 HB ILE 92 4.042 -1.963 -0.465 713 HG12 ILE 92 1HG1 ILE 92 6.307 -0.030 -0.909 714 HG13 ILE 92 2HG1 ILE 92 4.582 0.299 -1.035 715 HG21 ILE 92 1HG2 ILE 92 5.843 -3.702 -0.179 716 HG22 ILE 92 2HG2 ILE 92 7.015 -2.382 0.000 717 HG23 ILE 92 3HG2 ILE 92 5.675 -2.561 1.157 718 HD11 ILE 92 3HD1 ILE 92 5.401 1.254 0.996 719 HD12 ILE 92 1HD1 ILE 92 4.410 -0.160 1.448 720 HD13 ILE 92 2HD1 ILE 92 6.187 -0.254 1.489 721 H LYS 93 H LYS 93 2.682 -1.964 -2.422 722 HA LYS 93 HA LYS 93 2.530 0.582 -3.815 723 HB2 LYS 93 1HB LYS 93 1.373 -0.131 -5.784 724 HB3 LYS 93 2HB LYS 93 2.864 -1.061 -5.715 725 HG2 LYS 93 1HG LYS 93 1.676 -3.045 -4.982 726 HG3 LYS 93 2HG LYS 93 0.183 -2.146 -4.715 727 HD2 LYS 93 1HD LYS 93 -0.018 -1.647 -7.099 728 HD3 LYS 93 2HD LYS 93 1.458 -2.587 -7.435 729 HE2 LYS 93 1HE LYS 93 0.440 -4.634 -6.719 730 HE3 LYS 93 2HE LYS 93 -0.902 -3.790 -5.929 731 HZ1 LYS 93 3HZ LYS 93 -1.513 -4.782 -8.087 732 HZ2 LYS 93 1HZ LYS 93 -1.795 -3.178 -8.039 733 HZ3 LYS 93 2HZ LYS 93 -0.493 -3.765 -8.861 734 H ARG 94 H ARG 94 0.287 1.254 -4.242 735 HA ARG 94 HA ARG 94 -1.741 0.159 -2.326 736 HB2 ARG 94 1HB ARG 94 -1.443 2.933 -3.558 737 HB3 ARG 94 2HB ARG 94 -2.908 2.355 -2.746 738 HG2 ARG 94 1HG ARG 94 -1.636 1.964 -0.672 739 HG3 ARG 94 2HG ARG 94 -0.163 2.565 -1.451 740 HD2 ARG 94 1HD ARG 94 -1.038 4.351 -0.133 741 HD3 ARG 94 2HD ARG 94 -1.306 4.778 -1.812 742 HE ARG 94 HE ARG 94 -3.340 3.954 0.227 743 HH11 ARG 94 1HH1 ARG 94 -2.849 5.101 -3.108 744 HH12 ARG 94 2HH1 ARG 94 -4.520 5.549 -3.265 745 HH21 ARG 94 1HH2 ARG 94 -5.370 4.694 0.001 746 HH22 ARG 94 2HH2 ARG 94 -5.950 5.275 -1.544 747 H ASP 95 H ASP 95 -3.792 -0.244 -3.138 748 HA ASP 95 HA ASP 95 -4.485 0.315 -5.929 749 HB2 ASP 95 1HB ASP 95 -3.420 -2.232 -5.331 750 HB3 ASP 95 2HB ASP 95 -5.174 -2.464 -5.294 751 H ILE 96 H ILE 96 -6.802 -0.746 -6.292 752 HA ILE 96 HA ILE 96 -8.533 -0.032 -3.940 753 HB ILE 96 HB ILE 96 -8.930 0.785 -6.830 754 HG12 ILE 96 1HG1 ILE 96 -7.116 2.102 -5.781 755 HG13 ILE 96 2HG1 ILE 96 -8.516 3.073 -6.195 756 HG21 ILE 96 1HG2 ILE 96 -11.107 0.507 -5.792 757 HG22 ILE 96 2HG2 ILE 96 -10.585 1.317 -4.299 758 HG23 ILE 96 3HG2 ILE 96 -10.797 2.242 -5.796 759 HD11 ILE 96 3HD1 ILE 96 -7.458 3.553 -3.924 760 HD12 ILE 96 1HD1 ILE 96 -9.211 3.260 -3.926 761 HD13 ILE 96 2HD1 ILE 96 -8.111 1.980 -3.398 762 H ILE 97 H ILE 97 -10.225 -1.247 -3.629 763 HA ILE 97 HA ILE 97 -10.677 -3.677 -5.293 764 HB ILE 97 HB ILE 97 -11.935 -2.870 -2.672 765 HG12 ILE 97 1HG1 ILE 97 -10.518 -4.995 -1.968 766 HG13 ILE 97 2HG1 ILE 97 -9.498 -4.528 -3.323 767 HG21 ILE 97 1HG2 ILE 97 -13.417 -4.300 -3.863 768 HG22 ILE 97 2HG2 ILE 97 -12.106 -5.448 -4.248 769 HG23 ILE 97 3HG2 ILE 97 -12.673 -5.233 -2.570 770 HD11 ILE 97 3HD1 ILE 97 -9.060 -3.658 -0.871 771 HD12 ILE 97 1HD1 ILE 97 -8.783 -2.573 -2.248 772 HD13 ILE 97 2HD1 ILE 97 -10.266 -2.437 -1.258 773 H ASP 98 H ASP 98 -12.477 -4.079 -6.450 774 HA ASP 98 HA ASP 98 -14.360 -1.840 -6.911 775 HB2 ASP 98 1HB ASP 98 -12.941 -2.721 -8.766 776 HB3 ASP 98 2HB ASP 98 -13.770 -4.271 -8.627 777 H ILE 99 H ILE 99 -14.384 -4.952 -5.546 778 HA ILE 99 HA ILE 99 -15.871 -6.091 -4.318 779 HB ILE 99 HB ILE 99 -17.836 -3.850 -4.774 780 HG12 ILE 99 1HG1 ILE 99 -15.717 -3.029 -3.727 781 HG13 ILE 99 2HG1 ILE 99 -17.131 -2.864 -2.712 782 HG21 ILE 99 1HG2 ILE 99 -19.036 -5.755 -3.971 783 HG22 ILE 99 2HG2 ILE 99 -17.844 -6.046 -2.688 784 HG23 ILE 99 3HG2 ILE 99 -18.873 -4.600 -2.653 785 HD11 ILE 99 3HD1 ILE 99 -15.073 -3.636 -1.503 786 HD12 ILE 99 1HD1 ILE 99 -16.463 -4.710 -1.300 787 HD13 ILE 99 2HD1 ILE 99 -15.150 -5.161 -2.405 788 HA PRO 100 HA PRO 100 -18.122 -8.381 -7.490 789 HB2 PRO 100 1HB PRO 100 -18.558 -10.701 -6.158 790 HB3 PRO 100 2HB PRO 100 -16.918 -10.193 -6.648 791 HG2 PRO 100 1HG PRO 100 -18.256 -9.849 -3.937 792 HG3 PRO 100 2HG PRO 100 -16.623 -10.500 -4.283 793 HD2 PRO 100 1HD PRO 100 -17.086 -7.864 -3.587 794 HD3 PRO 100 2HD PRO 100 -15.754 -8.358 -4.671 795 H LYS 101 H LYS 101 -20.245 -9.464 -7.710 796 HA LYS 101 HA LYS 101 -22.400 -7.943 -6.585 797 HB2 LYS 101 1HB LYS 101 -23.880 -9.475 -7.727 798 HB3 LYS 101 2HB LYS 101 -22.539 -9.006 -8.768 799 HG2 LYS 101 1HG LYS 101 -21.423 -11.204 -8.297 800 HG3 LYS 101 2HG LYS 101 -22.816 -11.672 -7.297 801 HD2 LYS 101 1HD LYS 101 -24.309 -11.433 -9.263 802 HD3 LYS 101 2HD LYS 101 -22.916 -10.965 -10.263 803 HE2 LYS 101 1HE LYS 101 -21.840 -13.158 -9.780 804 HE3 LYS 101 2HE LYS 101 -23.228 -13.622 -8.787 805 HZ1 LYS 101 3HZ LYS 101 -23.403 -14.523 -11.028 806 HZ2 LYS 101 1HZ LYS 101 -24.620 -13.465 -10.777 807 HZ3 LYS 101 2HZ LYS 101 -23.336 -13.033 -11.695 808 H LYS 102 H LYS 102 -20.965 -10.983 -5.535 809 HA LYS 102 HA LYS 102 -22.844 -11.690 -3.493 810 HB2 LYS 102 1HB LYS 102 -21.098 -13.135 -4.548 811 HB3 LYS 102 2HB LYS 102 -19.848 -12.234 -3.676 812 HG2 LYS 102 1HG LYS 102 -20.734 -13.028 -1.524 813 HG3 LYS 102 2HG LYS 102 -22.137 -13.742 -2.330 814 HD2 LYS 102 1HD LYS 102 -20.564 -15.481 -1.745 815 HD3 LYS 102 2HD LYS 102 -20.659 -15.343 -3.507 816 HE2 LYS 102 1HE LYS 102 -18.549 -14.026 -3.521 817 HE3 LYS 102 2HE LYS 102 -18.477 -14.108 -1.755 818 HZ1 LYS 102 3HZ LYS 102 -17.075 -15.797 -2.783 819 HZ2 LYS 102 1HZ LYS 102 -18.273 -16.524 -1.945 820 HZ3 LYS 102 2HZ LYS 102 -18.344 -16.449 -3.577 821 H GLY 103 H GLY 103 -20.516 -9.123 -3.569 822 HA2 GLY 103 1HA GLY 103 -20.352 -8.702 -0.666 823 HA3 GLY 103 2HA GLY 103 -19.654 -7.702 -1.968 824 H VAL 104 H VAL 104 -22.695 -7.889 -2.978 825 HA VAL 104 HA VAL 104 -23.454 -5.268 -1.930 826 HB VAL 104 HB VAL 104 -25.026 -7.195 -3.692 827 HG11 VAL 104 1HG1 VAL 104 -26.567 -5.649 -2.554 828 HG12 VAL 104 2HG1 VAL 104 -25.546 -4.265 -3.001 829 HG13 VAL 104 3HG1 VAL 104 -26.403 -5.192 -4.251 830 HG21 VAL 104 3HG2 VAL 104 -24.391 -5.654 -5.526 831 HG22 VAL 104 1HG2 VAL 104 -23.416 -4.693 -4.393 832 HG23 VAL 104 2HG2 VAL 104 -22.951 -6.359 -4.784 833 H SER 105 H SER 105 -24.313 -4.975 -0.059 834 HA SER 105 HA SER 105 -25.474 -5.099 1.888 835 HB2 SER 105 1HB SER 105 -26.913 -7.555 0.833 836 HB3 SER 105 2HB SER 105 -27.267 -6.682 2.322 837 HG SER 105 HG SER 105 -27.390 -5.596 -0.321 838 H GLY 106 H GLY 106 -24.904 -5.755 3.891 839 HA2 GLY 106 1HA GLY 106 -24.158 -8.278 4.824 840 HA3 GLY 106 2HA GLY 106 -22.686 -7.582 4.173 841 HA PRO 107 HA PRO 107 -23.146 -6.408 8.701 842 HB2 PRO 107 1HB PRO 107 -20.182 -6.932 8.452 843 HB3 PRO 107 2HB PRO 107 -21.280 -7.297 9.819 844 HG2 PRO 107 1HG PRO 107 -20.527 -9.270 8.127 845 HG3 PRO 107 2HG PRO 107 -22.244 -9.148 8.639 846 HD2 PRO 107 1HD PRO 107 -20.977 -8.170 6.061 847 HD3 PRO 107 2HD PRO 107 -22.493 -9.094 6.297 848 H SER 108 H SER 108 -22.587 -4.449 9.706 849 HA SER 108 HA SER 108 -20.664 -2.561 8.666 850 HB2 SER 108 1HB SER 108 -22.556 -2.423 6.972 851 HB3 SER 108 2HB SER 108 -23.585 -1.826 8.283 852 HG SER 108 HG SER 108 -22.575 -0.134 7.033 853 H SER 109 H SER 109 -21.109 -0.322 9.787 854 HA SER 109 HA SER 109 -22.419 -0.303 12.357 855 HB2 SER 109 1HB SER 109 -20.434 -1.816 12.809 856 HB3 SER 109 2HB SER 109 -19.383 -0.437 12.447 857 HG SER 109 HG SER 109 -19.845 -0.672 14.715 858 H GLY 110 H GLY 110 -21.989 1.722 13.545 859 HA2 GLY 110 1HA GLY 110 -20.552 3.958 12.511 860 HA3 GLY 110 2HA GLY 110 -22.206 4.034 11.903 861 H5'1 ATP 201 H5" ATP 111 11.945 -14.231 5.120 862 H5'2 ATP 201 H5' ATP 111 11.805 -12.669 5.925 863 H4' ATP 201 H4' ATP 111 10.111 -14.313 6.663 864 H3' ATP 201 H3' ATP 111 9.833 -15.127 4.050 865 HO3' ATP 201 H3T ATP 111 7.648 -15.852 4.891 866 H2' ATP 201 H2' ATP 111 8.868 -13.111 3.262 867 HO2' ATP 201 2HO ATP 111 7.304 -14.726 2.745 868 H1' ATP 201 H1' ATP 111 7.132 -12.959 5.728 869 H8 ATP 201 8H ATP 111 9.586 -10.692 3.682 870 HN61 ATP 201 2H6 ATP 111 6.327 -6.976 3.096 871 HN62 ATP 201 1H6 ATP 111 4.661 -6.835 3.680 872 H2 ATP 201 2H ATP 111 3.658 -10.165 6.138 Start of MODEL 4 1 HA PRO 1 HA PRO 1 21.966 11.039 -14.169 2 HB2 PRO 1 1HB PRO 1 22.947 8.416 -13.123 3 HB3 PRO 1 2HB PRO 1 23.817 9.790 -13.850 4 HG2 PRO 1 1HG PRO 1 23.208 9.245 -11.003 5 HG3 PRO 1 2HG PRO 1 24.331 10.467 -11.672 6 HD2 PRO 1 1HD PRO 1 22.024 11.225 -10.460 7 HD3 PRO 1 2HD PRO 1 22.635 12.067 -11.906 8 H SER 2 H SER 2 20.745 7.806 -13.017 9 HA SER 2 HA SER 2 18.734 7.603 -15.111 10 HB2 SER 2 1HB SER 2 19.835 5.734 -16.293 11 HB3 SER 2 2HB SER 2 20.723 7.246 -16.476 12 HG SER 2 HG SER 2 22.120 5.473 -16.007 13 H SER 3 H SER 3 17.884 5.233 -15.169 14 HA SER 3 HA SER 3 18.140 3.787 -12.585 15 HB2 SER 3 1HB SER 3 15.505 4.753 -13.774 16 HB3 SER 3 2HB SER 3 15.657 3.562 -12.476 17 HG SER 3 HG SER 3 16.618 6.254 -12.359 18 H GLY 4 H GLY 4 17.765 1.583 -12.763 19 HA2 GLY 4 1HA GLY 4 18.257 0.450 -15.385 20 HA3 GLY 4 2HA GLY 4 18.174 -0.415 -13.835 21 H SER 5 H SER 5 15.837 1.470 -15.751 22 HA SER 5 HA SER 5 13.725 1.063 -16.542 23 HB2 SER 5 1HB SER 5 14.586 -1.849 -16.669 24 HB3 SER 5 2HB SER 5 13.221 -1.114 -17.511 25 HG SER 5 HG SER 5 15.983 -0.455 -17.868 26 H SER 6 H SER 6 14.258 0.719 -13.516 27 HA SER 6 HA SER 6 12.235 -1.143 -12.581 28 HB2 SER 6 1HB SER 6 12.919 -0.175 -10.354 29 HB3 SER 6 2HB SER 6 14.225 -0.888 -11.312 30 HG SER 6 HG SER 6 14.775 1.181 -10.384 31 H GLY 7 H GLY 7 11.988 2.089 -13.669 32 HA2 GLY 7 1HA GLY 7 9.620 2.791 -12.022 33 HA3 GLY 7 2HA GLY 7 10.400 3.800 -13.255 34 H PHE 8 H PHE 8 7.552 2.957 -12.777 35 HA PHE 8 HA PHE 8 6.806 1.460 -15.186 36 HB2 PHE 8 1HB PHE 8 4.565 1.633 -14.342 37 HB3 PHE 8 2HB PHE 8 5.631 1.128 -13.056 38 HD1 PHE 8 1HD PHE 8 3.482 3.859 -14.325 39 HD2 PHE 8 2HD PHE 8 6.062 2.586 -11.110 40 HE1 PHE 8 1HE PHE 8 2.618 5.699 -12.902 41 HE2 PHE 8 2HE PHE 8 5.195 4.428 -9.691 42 HZ PHE 8 HZ PHE 8 3.474 5.988 -10.582 43 H LEU 9 H LEU 9 4.883 2.444 -16.457 44 HA LEU 9 HA LEU 9 5.112 5.317 -17.032 45 HB2 LEU 9 1HB LEU 9 6.902 4.221 -18.378 46 HB3 LEU 9 2HB LEU 9 5.704 3.139 -19.085 47 HG LEU 9 HG LEU 9 4.590 5.080 -20.172 48 HD11 LEU 9 1HD1 LEU 9 5.182 6.907 -18.624 49 HD12 LEU 9 2HD1 LEU 9 6.905 6.701 -19.012 50 HD13 LEU 9 3HD1 LEU 9 5.764 7.276 -20.248 51 HD21 LEU 9 3HD2 LEU 9 6.344 5.495 -21.845 52 HD22 LEU 9 1HD2 LEU 9 7.580 4.880 -20.723 53 HD23 LEU 9 2HD2 LEU 9 6.324 3.792 -21.358 54 H ASP 10 H ASP 10 3.282 6.175 -17.906 55 HA ASP 10 HA ASP 10 0.796 4.807 -17.550 56 HB2 ASP 10 1HB ASP 10 1.465 7.435 -18.916 57 HB3 ASP 10 2HB ASP 10 -0.164 6.888 -18.533 58 H LYS 11 H LYS 11 -0.841 4.293 -19.034 59 HA LYS 11 HA LYS 11 -0.042 3.749 -21.841 60 HB2 LYS 11 1HB LYS 11 -1.080 1.884 -19.677 61 HB3 LYS 11 2HB LYS 11 -1.431 1.546 -21.351 62 HG2 LYS 11 1HG LYS 11 1.360 2.140 -21.315 63 HG3 LYS 11 2HG LYS 11 1.060 1.168 -19.869 64 HD2 LYS 11 1HD LYS 11 -0.050 -0.562 -21.324 65 HD3 LYS 11 2HD LYS 11 0.247 0.477 -22.728 66 HE2 LYS 11 1HE LYS 11 1.940 -1.221 -22.726 67 HE3 LYS 11 2HE LYS 11 2.706 0.319 -22.324 68 HZ1 LYS 11 3HZ LYS 11 3.464 -1.483 -20.883 69 HZ2 LYS 11 1HZ LYS 11 2.686 -0.363 -19.986 70 HZ3 LYS 11 2HZ LYS 11 1.948 -1.777 -20.358 71 HA PRO 12 HA PRO 12 -3.814 5.460 -23.075 72 HB2 PRO 12 1HB PRO 12 -4.396 4.182 -25.422 73 HB3 PRO 12 2HB PRO 12 -2.958 5.208 -25.199 74 HG2 PRO 12 1HG PRO 12 -3.165 2.184 -24.979 75 HG3 PRO 12 2HG PRO 12 -1.961 3.135 -25.910 76 HD2 PRO 12 1HD PRO 12 -1.454 2.155 -23.398 77 HD3 PRO 12 2HD PRO 12 -0.765 3.692 -23.954 78 H THR 13 H THR 13 -6.038 4.983 -23.961 79 HA THR 13 HA THR 13 -7.461 2.613 -23.095 80 HB THR 13 HB THR 13 -7.151 3.823 -20.943 81 HG1 THR 13 1HG THR 13 -9.205 3.496 -20.382 82 HG21 THR 13 3HG2 THR 13 -8.145 5.949 -20.523 83 HG22 THR 13 1HG2 THR 13 -7.154 6.160 -21.960 84 HG23 THR 13 2HG2 THR 13 -8.916 6.003 -22.127 85 H LEU 14 H LEU 14 -9.764 2.833 -23.420 86 HA LEU 14 HA LEU 14 -10.288 4.207 -26.019 87 HB2 LEU 14 1HB LEU 14 -11.768 1.898 -24.703 88 HB3 LEU 14 2HB LEU 14 -11.980 2.490 -26.338 89 HG LEU 14 HG LEU 14 -9.167 1.827 -26.037 90 HD11 LEU 14 1HD1 LEU 14 -9.842 0.438 -24.116 91 HD12 LEU 14 2HD1 LEU 14 -11.019 -0.417 -25.140 92 HD13 LEU 14 3HD1 LEU 14 -9.278 -0.547 -25.477 93 HD21 LEU 14 3HD2 LEU 14 -9.642 0.227 -27.834 94 HD22 LEU 14 1HD2 LEU 14 -11.389 0.388 -27.551 95 HD23 LEU 14 2HD2 LEU 14 -10.448 1.773 -28.151 96 H LEU 15 H LEU 15 -10.855 4.685 -22.773 97 HA LEU 15 HA LEU 15 -13.624 5.703 -23.021 98 HB2 LEU 15 1HB LEU 15 -11.875 5.639 -20.541 99 HB3 LEU 15 2HB LEU 15 -13.618 5.827 -20.640 100 HG LEU 15 HG LEU 15 -12.015 3.297 -21.187 101 HD11 LEU 15 1HD1 LEU 15 -12.341 3.928 -18.808 102 HD12 LEU 15 2HD1 LEU 15 -14.099 3.982 -19.068 103 HD13 LEU 15 3HD1 LEU 15 -13.220 2.446 -19.224 104 HD21 LEU 15 3HD2 LEU 15 -14.215 2.160 -21.471 105 HD22 LEU 15 1HD2 LEU 15 -15.020 3.745 -21.479 106 HD23 LEU 15 2HD2 LEU 15 -13.879 3.302 -22.772 107 H SER 16 H SER 16 -13.828 7.645 -21.315 108 HA SER 16 HA SER 16 -12.437 9.981 -22.505 109 HB2 SER 16 1HB SER 16 -15.136 9.402 -21.287 110 HB3 SER 16 2HB SER 16 -14.541 11.022 -21.332 111 HG SER 16 HG SER 16 -15.802 10.480 -23.218 112 HA PRO 17 HA PRO 17 -10.473 11.070 -18.708 113 HB2 PRO 17 1HB PRO 17 -10.835 13.792 -18.528 114 HB3 PRO 17 2HB PRO 17 -9.743 13.006 -19.708 115 HG2 PRO 17 1HG PRO 17 -12.604 13.931 -20.150 116 HG3 PRO 17 2HG PRO 17 -11.165 14.236 -21.184 117 HD2 PRO 17 1HD PRO 17 -12.890 12.251 -21.768 118 HD3 PRO 17 2HD PRO 17 -11.125 12.023 -21.973 119 H GLU 18 H GLU 18 -13.862 11.937 -19.077 120 HA GLU 18 HA GLU 18 -14.284 12.287 -16.195 121 HB2 GLU 18 1HB GLU 18 -16.594 12.740 -16.779 122 HB3 GLU 18 2HB GLU 18 -15.480 13.712 -17.737 123 HG2 GLU 18 1HG GLU 18 -15.790 12.191 -19.673 124 HG3 GLU 18 2HG GLU 18 -16.892 11.190 -18.720 125 H GLU 19 H GLU 19 -14.103 9.529 -18.207 126 HA GLU 19 HA GLU 19 -16.027 7.885 -16.678 127 HB2 GLU 19 1HB GLU 19 -14.126 7.387 -18.983 128 HB3 GLU 19 2HB GLU 19 -14.845 6.060 -18.118 129 HG2 GLU 19 1HG GLU 19 -16.392 8.276 -19.517 130 HG3 GLU 19 2HG GLU 19 -16.019 6.700 -20.212 131 H LEU 20 H LEU 20 -12.554 7.997 -17.339 132 HA LEU 20 HA LEU 20 -11.667 5.927 -15.624 133 HB2 LEU 20 1HB LEU 20 -10.205 8.468 -16.444 134 HB3 LEU 20 2HB LEU 20 -9.437 6.972 -15.955 135 HG LEU 20 HG LEU 20 -11.276 6.914 -18.375 136 HD11 LEU 20 1HD1 LEU 20 -9.873 8.933 -18.577 137 HD12 LEU 20 2HD1 LEU 20 -8.418 7.918 -18.463 138 HD13 LEU 20 3HD1 LEU 20 -9.558 7.720 -19.830 139 HD21 LEU 20 3HD2 LEU 20 -9.795 5.180 -19.136 140 HD22 LEU 20 1HD2 LEU 20 -8.653 5.485 -17.811 141 HD23 LEU 20 2HD2 LEU 20 -10.265 4.814 -17.471 142 H LYS 21 H LYS 21 -11.726 9.448 -15.084 143 HA LYS 21 HA LYS 21 -10.964 9.408 -12.314 144 HB2 LYS 21 1HB LYS 21 -12.363 11.386 -14.112 145 HB3 LYS 21 2HB LYS 21 -12.373 11.659 -12.381 146 HG2 LYS 21 1HG LYS 21 -10.546 12.845 -13.543 147 HG3 LYS 21 2HG LYS 21 -10.013 11.806 -12.222 148 HD2 LYS 21 1HD LYS 21 -9.151 10.142 -13.758 149 HD3 LYS 21 2HD LYS 21 -9.878 10.975 -15.143 150 HE2 LYS 21 1HE LYS 21 -8.442 12.959 -14.697 151 HE3 LYS 21 2HE LYS 21 -7.728 12.133 -13.307 152 HZ1 LYS 21 3HZ LYS 21 -6.326 11.934 -15.268 153 HZ2 LYS 21 1HZ LYS 21 -6.857 10.452 -14.837 154 HZ3 LYS 21 2HZ LYS 21 -7.517 11.219 -16.125 155 H ALA 22 H ALA 22 -14.217 9.036 -13.788 156 HA ALA 22 HA ALA 22 -15.606 9.121 -11.234 157 HB1 ALA 22 1HB ALA 22 -16.748 9.706 -13.305 158 HB2 ALA 22 2HB ALA 22 -16.476 8.075 -13.965 159 HB3 ALA 22 3HB ALA 22 -17.534 8.306 -12.560 160 H ALA 23 H ALA 23 -14.361 6.425 -13.250 161 HA ALA 23 HA ALA 23 -15.330 4.272 -11.680 162 HB1 ALA 23 1HB ALA 23 -14.303 4.093 -13.949 163 HB2 ALA 23 2HB ALA 23 -12.716 4.497 -13.249 164 HB3 ALA 23 3HB ALA 23 -13.535 2.995 -12.784 165 H SER 24 H SER 24 -12.426 6.271 -11.232 166 HA SER 24 HA SER 24 -11.457 4.747 -8.932 167 HB2 SER 24 1HB SER 24 -10.031 5.985 -10.556 168 HB3 SER 24 2HB SER 24 -10.666 7.512 -9.911 169 HG SER 24 HG SER 24 -8.660 6.867 -8.919 170 H ARG 25 H ARG 25 -13.009 7.969 -9.290 171 HA ARG 25 HA ARG 25 -13.040 8.586 -6.510 172 HB2 ARG 25 1HB ARG 25 -13.130 10.192 -8.395 173 HB3 ARG 25 2HB ARG 25 -14.775 9.675 -8.751 174 HG2 ARG 25 1HG ARG 25 -14.735 11.771 -7.528 175 HG3 ARG 25 2HG ARG 25 -15.552 10.535 -6.579 176 HD2 ARG 25 1HD ARG 25 -13.541 10.260 -5.174 177 HD3 ARG 25 2HD ARG 25 -12.647 11.405 -6.174 178 HE ARG 25 HE ARG 25 -14.693 11.973 -4.145 179 HH11 ARG 25 1HH1 ARG 25 -12.899 13.409 -6.840 180 HH12 ARG 25 2HH1 ARG 25 -13.201 15.030 -6.289 181 HH21 ARG 25 1HH2 ARG 25 -15.044 14.083 -3.499 182 HH22 ARG 25 2HH2 ARG 25 -14.399 15.402 -4.428 183 H GLY 26 H GLY 26 -15.421 6.938 -8.539 184 HA2 GLY 26 1HA GLY 26 -17.612 7.024 -6.629 185 HA3 GLY 26 2HA GLY 26 -17.515 6.103 -8.155 186 H ASN 27 H ASN 27 -14.894 4.947 -6.870 187 HA ASN 27 HA ASN 27 -16.189 2.540 -5.844 188 HB2 ASN 27 1HB ASN 27 -14.366 2.447 -7.451 189 HB3 ASN 27 2HB ASN 27 -13.265 3.226 -6.323 190 HD21 ASN 27 2HD2 ASN 27 -14.060 0.218 -7.547 191 HD22 ASN 27 1HD2 ASN 27 -13.512 -0.727 -6.155 192 H GLY 28 H GLY 28 -13.207 3.755 -4.287 193 HA2 GLY 28 1HA GLY 28 -13.065 5.065 -2.299 194 HA3 GLY 28 2HA GLY 28 -14.710 4.581 -1.836 195 H GLU 29 H GLU 29 -13.192 1.778 -2.832 196 HA GLU 29 HA GLU 29 -12.437 0.938 -0.109 197 HB2 GLU 29 1HB GLU 29 -13.153 -0.378 -2.619 198 HB3 GLU 29 2HB GLU 29 -11.633 -0.972 -2.061 199 HG2 GLU 29 1HG GLU 29 -14.072 -0.713 -0.275 200 HG3 GLU 29 2HG GLU 29 -13.811 -2.133 -1.290 201 H TYR 30 H TYR 30 -10.292 -0.410 -0.067 202 HA TYR 30 HA TYR 30 -8.041 0.500 -1.645 203 HB2 TYR 30 1HB TYR 30 -6.878 1.789 0.001 204 HB3 TYR 30 2HB TYR 30 -8.433 2.534 -0.291 205 HD1 TYR 30 1HD TYR 30 -10.379 1.880 1.391 206 HD2 TYR 30 2HD TYR 30 -6.203 1.131 2.165 207 HE1 TYR 30 1HE TYR 30 -10.860 1.722 3.836 208 HE2 TYR 30 2HE TYR 30 -6.684 0.923 4.601 209 HH TYR 30 HH TYR 30 -8.293 1.014 6.246 210 H ALA 31 H ALA 31 -6.145 -0.539 -1.269 211 HA ALA 31 HA ALA 31 -5.721 -2.306 1.043 212 HB1 ALA 31 1HB ALA 31 -6.928 -3.853 -0.324 213 HB2 ALA 31 2HB ALA 31 -6.152 -3.293 -1.812 214 HB3 ALA 31 3HB ALA 31 -5.228 -4.232 -0.611 215 H TRP 32 H TRP 32 -3.564 -3.027 1.211 216 HA TRP 32 HA TRP 32 -1.560 -1.705 -0.577 217 HB2 TRP 32 1HB TRP 32 -1.403 -2.326 2.386 218 HB3 TRP 32 2HB TRP 32 0.004 -2.009 1.392 219 HD1 TRP 32 HD TRP 32 -3.281 -0.133 2.241 220 HE1 TRP 32 1HE TRP 32 -2.794 2.378 2.320 221 HE3 TRP 32 3HE TRP 32 1.678 -0.218 0.928 222 HZ2 TRP 32 2HZ TRP 32 -0.448 4.086 2.247 223 HZ3 TRP 32 3HZ TRP 32 3.001 1.882 0.936 224 HH2 TRP 32 HH TRP 32 1.950 4.031 1.607 225 H TYR 33 H TYR 33 0.203 -2.897 -1.212 226 HA TYR 33 HA TYR 33 0.194 -5.838 -0.742 227 HB2 TYR 33 1HB TYR 33 0.272 -4.441 -3.440 228 HB3 TYR 33 2HB TYR 33 0.652 -6.131 -3.197 229 HD1 TYR 33 2HD TYR 33 -2.136 -3.639 -2.856 230 HD2 TYR 33 1HD TYR 33 -1.008 -7.771 -3.375 231 HE1 TYR 33 2HE TYR 33 -4.515 -4.244 -3.228 232 HE2 TYR 33 1HE TYR 33 -3.386 -8.374 -3.754 233 HH TYR 33 HH TYR 33 -5.561 -7.612 -3.867 234 H TYR 34 H TYR 34 2.173 -6.895 -1.293 235 HA TYR 34 HA TYR 34 4.579 -5.194 -1.712 236 HB2 TYR 34 1HB TYR 34 5.822 -6.445 -0.078 237 HB3 TYR 34 2HB TYR 34 4.417 -5.722 0.676 238 HD1 TYR 34 2HD TYR 34 2.479 -7.130 1.396 239 HD2 TYR 34 1HD TYR 34 6.108 -8.860 -0.166 240 HE1 TYR 34 2HE TYR 34 1.842 -9.329 2.362 241 HE2 TYR 34 1HE TYR 34 5.480 -11.059 0.803 242 HH TYR 34 HH TYR 34 3.921 -12.239 2.019 243 H GLU 35 H GLU 35 6.288 -6.216 -2.889 244 HA GLU 35 HA GLU 35 5.435 -8.464 -4.612 245 HB2 GLU 35 1HB GLU 35 8.015 -6.848 -4.568 246 HB3 GLU 35 2HB GLU 35 7.679 -8.208 -5.647 247 HG2 GLU 35 1HG GLU 35 5.598 -6.942 -6.423 248 HG3 GLU 35 2HG GLU 35 6.226 -5.559 -5.513 249 H GLY 36 H GLY 36 5.513 -10.434 -3.836 250 HA2 GLY 36 1HA GLY 36 7.780 -11.389 -2.115 251 HA3 GLY 36 2HA GLY 36 6.236 -12.217 -2.386 252 H ARG 37 H ARG 37 7.640 -14.050 -2.824 253 HA ARG 37 HA ARG 37 9.483 -14.249 -4.944 254 HB2 ARG 37 1HB ARG 37 9.134 -15.853 -3.044 255 HB3 ARG 37 2HB ARG 37 7.656 -16.417 -3.830 256 HG2 ARG 37 1HG ARG 37 9.116 -17.039 -5.853 257 HG3 ARG 37 2HG ARG 37 10.525 -16.651 -4.856 258 HD2 ARG 37 1HD ARG 37 9.812 -18.355 -3.201 259 HD3 ARG 37 2HD ARG 37 8.381 -18.721 -4.167 260 HE ARG 37 HE ARG 37 11.113 -19.609 -4.625 261 HH11 ARG 37 1HH1 ARG 37 8.051 -19.038 -6.341 262 HH12 ARG 37 2HH1 ARG 37 8.445 -20.204 -7.573 263 HH21 ARG 37 1HH2 ARG 37 11.541 -21.064 -6.262 264 HH22 ARG 37 2HH2 ARG 37 10.388 -21.316 -7.537 265 H ASN 38 H ASN 38 5.988 -14.932 -4.972 266 HA ASN 38 HA ASN 38 6.079 -15.643 -7.848 267 HB2 ASN 38 1HB ASN 38 4.111 -16.215 -5.611 268 HB3 ASN 38 2HB ASN 38 3.795 -16.602 -7.299 269 HD21 ASN 38 2HD2 ASN 38 3.614 -18.850 -6.710 270 HD22 ASN 38 1HD2 ASN 38 5.064 -19.792 -6.418 271 H GLY 39 H GLY 39 5.224 -12.856 -6.121 272 HA2 GLY 39 1HA GLY 39 4.616 -11.127 -8.047 273 HA3 GLY 39 2HA GLY 39 3.071 -11.964 -7.954 274 H TRP 40 H TRP 40 2.287 -9.777 -7.396 275 HA TRP 40 HA TRP 40 2.811 -8.572 -4.847 276 HB2 TRP 40 1HB TRP 40 0.402 -8.431 -6.699 277 HB3 TRP 40 2HB TRP 40 0.661 -7.398 -5.301 278 HD1 TRP 40 HD TRP 40 1.527 -7.714 -8.908 279 HE1 TRP 40 1HE TRP 40 3.081 -5.832 -9.653 280 HE3 TRP 40 3HE TRP 40 2.747 -5.825 -4.315 281 HZ2 TRP 40 2HZ TRP 40 4.532 -3.635 -8.416 282 HZ3 TRP 40 3HZ TRP 40 4.212 -3.843 -4.127 283 HH2 TRP 40 HH TRP 40 5.103 -2.726 -6.153 284 H TRP 41 H TRP 41 2.088 -9.023 -2.878 285 HA TRP 41 HA TRP 41 -0.325 -10.736 -2.475 286 HB2 TRP 41 1HB TRP 41 2.295 -10.840 -0.933 287 HB3 TRP 41 2HB TRP 41 0.836 -11.761 -0.550 288 HD1 TRP 41 HD TRP 41 3.994 -12.259 -2.195 289 HE1 TRP 41 1HE TRP 41 3.960 -14.068 -4.011 290 HE3 TRP 41 3HE TRP 41 -1.070 -12.900 -2.609 291 HZ2 TRP 41 2HZ TRP 41 1.984 -15.395 -5.649 292 HZ3 TRP 41 3HZ TRP 41 -2.001 -14.396 -4.327 293 HH2 TRP 41 HH TRP 41 -0.494 -15.653 -5.868 294 H GLN 42 H GLN 42 -1.697 -10.142 -0.831 295 HA GLN 42 HA GLN 42 -1.612 -7.277 -0.279 296 HB2 GLN 42 1HB GLN 42 -3.605 -8.696 -1.103 297 HB3 GLN 42 2HB GLN 42 -3.761 -9.240 0.572 298 HG2 GLN 42 1HG GLN 42 -3.926 -6.797 1.250 299 HG3 GLN 42 2HG GLN 42 -3.920 -6.365 -0.456 300 HE21 GLN 42 2HE2 GLN 42 -6.046 -6.080 1.747 301 HE22 GLN 42 1HE2 GLN 42 -7.463 -6.827 1.025 302 H TYR 43 H TYR 43 -1.447 -6.244 1.665 303 HA TYR 43 HA TYR 43 -0.480 -7.626 4.056 304 HB2 TYR 43 1HB TYR 43 -1.264 -4.785 3.364 305 HB3 TYR 43 2HB TYR 43 -0.899 -5.253 5.016 306 HD1 TYR 43 1HD TYR 43 1.382 -6.190 5.592 307 HD2 TYR 43 2HD TYR 43 0.503 -4.301 1.827 308 HE1 TYR 43 1HE TYR 43 3.797 -5.736 5.261 309 HE2 TYR 43 2HE TYR 43 2.923 -3.839 1.481 310 HH TYR 43 HH TYR 43 5.403 -4.869 3.847 311 H ASP 44 H ASP 44 -1.531 -7.690 6.090 312 HA ASP 44 HA ASP 44 -4.314 -8.401 6.126 313 HB2 ASP 44 1HB ASP 44 -2.362 -7.714 8.364 314 HB3 ASP 44 2HB ASP 44 -3.974 -8.375 8.617 315 H GLU 45 H GLU 45 -6.034 -7.365 7.400 316 HA GLU 45 HA GLU 45 -6.391 -4.589 6.738 317 HB2 GLU 45 1HB GLU 45 -8.489 -4.854 8.109 318 HB3 GLU 45 2HB GLU 45 -8.314 -5.965 6.751 319 HG2 GLU 45 1HG GLU 45 -7.775 -7.817 8.190 320 HG3 GLU 45 2HG GLU 45 -7.542 -6.760 9.579 321 H ARG 46 H ARG 46 -4.931 -6.144 9.455 322 HA ARG 46 HA ARG 46 -5.179 -3.798 11.234 323 HB2 ARG 46 1HB ARG 46 -3.549 -6.300 11.734 324 HB3 ARG 46 2HB ARG 46 -4.188 -5.153 12.908 325 HG2 ARG 46 1HG ARG 46 -5.706 -7.262 11.334 326 HG3 ARG 46 2HG ARG 46 -5.503 -7.135 13.078 327 HD2 ARG 46 1HD ARG 46 -6.911 -5.042 13.056 328 HD3 ARG 46 2HD ARG 46 -7.107 -5.244 11.306 329 HE ARG 46 HE ARG 46 -8.717 -6.794 11.607 330 HH11 ARG 46 1HH1 ARG 46 -7.080 -6.593 14.753 331 HH12 ARG 46 2HH1 ARG 46 -8.276 -7.603 15.510 332 HH21 ARG 46 1HH2 ARG 46 -10.143 -8.041 12.596 333 HH22 ARG 46 2HH2 ARG 46 -10.011 -8.434 14.293 334 H THR 47 H THR 47 -3.040 -4.902 8.813 335 HA THR 47 HA THR 47 -0.713 -3.343 9.836 336 HB THR 47 HB THR 47 -0.832 -5.458 7.652 337 HG1 THR 47 1HG THR 47 0.234 -6.663 9.305 338 HG21 THR 47 3HG2 THR 47 1.680 -5.411 7.996 339 HG22 THR 47 1HG2 THR 47 1.033 -3.932 7.261 340 HG23 THR 47 2HG2 THR 47 1.457 -3.944 8.981 341 H SER 48 H SER 48 -2.583 -3.869 6.801 342 HA SER 48 HA SER 48 -1.350 -1.776 5.319 343 HB2 SER 48 1HB SER 48 -3.324 -1.863 3.877 344 HB3 SER 48 2HB SER 48 -2.691 -3.471 4.233 345 HG SER 48 HG SER 48 -4.394 -3.881 5.573 346 H ARG 49 H ARG 49 -3.946 -1.586 7.722 347 HA ARG 49 HA ARG 49 -4.731 1.082 7.145 348 HB2 ARG 49 1HB ARG 49 -5.902 1.088 9.154 349 HB3 ARG 49 2HB ARG 49 -5.954 -0.554 8.561 350 HG2 ARG 49 1HG ARG 49 -5.566 -0.883 10.810 351 HG3 ARG 49 2HG ARG 49 -3.967 -1.044 10.120 352 HD2 ARG 49 1HD ARG 49 -4.100 0.216 12.314 353 HD3 ARG 49 2HD ARG 49 -3.263 1.045 11.026 354 HE ARG 49 HE ARG 49 -6.121 1.700 11.415 355 HH11 ARG 49 1HH1 ARG 49 -2.785 2.754 12.107 356 HH12 ARG 49 2HH1 ARG 49 -3.246 4.451 12.016 357 HH21 ARG 49 1HH2 ARG 49 -6.604 3.911 11.493 358 HH22 ARG 49 2HH2 ARG 49 -5.330 5.053 11.828 359 H GLU 50 H GLU 50 -1.844 -0.127 8.783 360 HA GLU 50 HA GLU 50 -1.229 2.402 10.125 361 HB2 GLU 50 1HB GLU 50 0.612 0.087 9.386 362 HB3 GLU 50 2HB GLU 50 1.013 1.405 10.470 363 HG2 GLU 50 1HG GLU 50 -1.285 -0.521 11.032 364 HG3 GLU 50 2HG GLU 50 0.373 -0.830 11.516 365 H LEU 51 H LEU 51 -0.378 0.820 7.090 366 HA LEU 51 HA LEU 51 1.492 2.765 6.096 367 HB2 LEU 51 1HB LEU 51 -0.245 0.830 4.512 368 HB3 LEU 51 2HB LEU 51 1.317 1.499 4.052 369 HG LEU 51 HG LEU 51 0.835 -0.516 6.297 370 HD11 LEU 51 1HD1 LEU 51 0.469 -1.449 4.055 371 HD12 LEU 51 2HD1 LEU 51 2.094 -0.916 3.562 372 HD13 LEU 51 3HD1 LEU 51 1.893 -2.135 4.846 373 HD21 LEU 51 3HD2 LEU 51 3.317 -0.724 6.289 374 HD22 LEU 51 1HD2 LEU 51 3.401 0.666 5.179 375 HD23 LEU 51 2HD2 LEU 51 2.766 0.864 6.829 376 H GLU 52 H GLU 52 -1.980 2.188 5.496 377 HA GLU 52 HA GLU 52 -2.474 4.367 3.767 378 HB2 GLU 52 1HB GLU 52 -3.940 2.332 4.263 379 HB3 GLU 52 2HB GLU 52 -4.379 3.106 5.778 380 HG2 GLU 52 1HG GLU 52 -6.144 3.525 4.268 381 HG3 GLU 52 2HG GLU 52 -5.308 5.049 4.451 382 H ASP 53 H ASP 53 -2.295 4.289 7.326 383 HA ASP 53 HA ASP 53 -3.503 6.924 7.695 384 HB2 ASP 53 1HB ASP 53 -3.568 4.944 9.268 385 HB3 ASP 53 2HB ASP 53 -1.872 5.219 9.625 386 H ALA 54 H ALA 54 -0.270 5.524 7.657 387 HA ALA 54 HA ALA 54 1.239 7.709 8.591 388 HB1 ALA 54 1HB ALA 54 2.130 5.511 8.494 389 HB2 ALA 54 2HB ALA 54 1.903 5.403 6.740 390 HB3 ALA 54 3HB ALA 54 3.131 6.510 7.409 391 H PHE 55 H PHE 55 0.616 6.963 5.086 392 HA PHE 55 HA PHE 55 1.964 9.376 4.246 393 HB2 PHE 55 1HB PHE 55 1.555 8.751 2.122 394 HB3 PHE 55 2HB PHE 55 1.357 7.188 2.878 395 HD1 PHE 55 1HD PHE 55 -0.957 6.248 3.232 396 HD2 PHE 55 2HD PHE 55 -0.262 9.873 1.015 397 HE1 PHE 55 1HE PHE 55 -3.194 6.041 2.178 398 HE2 PHE 55 2HE PHE 55 -2.498 9.658 -0.045 399 HZ PHE 55 HZ PHE 55 -3.968 7.731 0.533 400 H SER 56 H SER 56 -1.118 8.798 5.540 401 HA SER 56 HA SER 56 -2.388 11.286 4.582 402 HB2 SER 56 1HB SER 56 -3.509 8.996 5.151 403 HB3 SER 56 2HB SER 56 -3.423 9.547 6.828 404 HG SER 56 HG SER 56 -5.411 10.140 5.787 405 H LYS 57 H LYS 57 -0.687 10.163 7.502 406 HA LYS 57 HA LYS 57 -1.236 12.494 9.158 407 HB2 LYS 57 1HB LYS 57 0.791 10.233 9.197 408 HB3 LYS 57 2HB LYS 57 0.826 11.534 10.387 409 HG2 LYS 57 1HG LYS 57 -1.160 10.887 11.419 410 HG3 LYS 57 2HG LYS 57 -1.758 10.023 10.001 411 HD2 LYS 57 1HD LYS 57 -1.055 8.442 11.777 412 HD3 LYS 57 2HD LYS 57 -0.158 8.252 10.284 413 HE2 LYS 57 1HE LYS 57 1.584 8.116 11.764 414 HE3 LYS 57 2HE LYS 57 1.632 9.829 11.399 415 HZ1 LYS 57 3HZ LYS 57 1.718 9.481 13.795 416 HZ2 LYS 57 1HZ LYS 57 0.327 10.251 13.426 417 HZ3 LYS 57 2HZ LYS 57 0.307 8.657 13.787 418 H GLY 58 H GLY 58 1.464 11.500 7.045 419 HA2 GLY 58 1HA GLY 58 2.441 13.366 5.682 420 HA3 GLY 58 2HA GLY 58 2.650 14.261 7.205 421 H LYS 59 H LYS 59 3.311 11.132 8.116 422 HA LYS 59 HA LYS 59 6.167 11.527 7.961 423 HB2 LYS 59 1HB LYS 59 6.266 9.142 8.811 424 HB3 LYS 59 2HB LYS 59 5.484 10.322 9.844 425 HG2 LYS 59 1HG LYS 59 3.301 9.506 9.374 426 HG3 LYS 59 2HG LYS 59 3.880 8.597 7.969 427 HD2 LYS 59 1HD LYS 59 3.373 7.139 9.899 428 HD3 LYS 59 2HD LYS 59 5.037 7.021 9.366 429 HE2 LYS 59 1HE LYS 59 5.755 8.505 11.229 430 HE3 LYS 59 2HE LYS 59 4.083 8.602 11.790 431 HZ1 LYS 59 3HZ LYS 59 5.313 6.901 12.998 432 HZ2 LYS 59 1HZ LYS 59 4.157 6.159 12.108 433 HZ3 LYS 59 2HZ LYS 59 5.711 6.120 11.620 434 H LYS 60 H LYS 60 7.679 10.273 6.946 435 HA LYS 60 HA LYS 60 6.939 9.568 4.147 436 HB2 LYS 60 1HB LYS 60 9.088 10.267 3.526 437 HB3 LYS 60 2HB LYS 60 8.498 11.454 4.677 438 HG2 LYS 60 1HG LYS 60 9.892 10.302 6.455 439 HG3 LYS 60 2HG LYS 60 10.544 9.261 5.182 440 HD2 LYS 60 1HD LYS 60 12.128 11.002 5.582 441 HD3 LYS 60 2HD LYS 60 11.399 11.286 3.997 442 HE2 LYS 60 1HE LYS 60 9.894 13.002 5.001 443 HE3 LYS 60 2HE LYS 60 10.606 12.695 6.591 444 HZ1 LYS 60 3HZ LYS 60 11.611 14.622 5.517 445 HZ2 LYS 60 1HZ LYS 60 12.741 13.457 5.707 446 HZ3 LYS 60 2HZ LYS 60 12.084 13.730 4.233 447 H ASN 61 H ASN 61 7.333 7.890 6.897 448 HA ASN 61 HA ASN 61 7.551 5.367 5.666 449 HB2 ASN 61 1HB ASN 61 9.629 4.505 6.567 450 HB3 ASN 61 2HB ASN 61 9.992 5.858 5.510 451 HD21 ASN 61 2HD2 ASN 61 10.259 7.985 6.612 452 HD22 ASN 61 1HD2 ASN 61 11.081 8.026 8.163 453 H THR 62 H THR 62 6.982 3.751 7.088 454 HA THR 62 HA THR 62 6.655 4.403 9.985 455 HB THR 62 HB THR 62 4.557 4.970 8.688 456 HG1 THR 62 1HG THR 62 3.342 3.956 10.424 457 HG21 THR 62 3HG2 THR 62 2.993 3.149 8.234 458 HG22 THR 62 1HG2 THR 62 4.453 2.916 7.261 459 HG23 THR 62 2HG2 THR 62 4.188 1.932 8.718 460 H GLU 63 H GLU 63 5.704 2.380 11.153 461 HA GLU 63 HA GLU 63 7.530 0.095 10.493 462 HB2 GLU 63 1HB GLU 63 6.916 1.520 13.107 463 HB3 GLU 63 2HB GLU 63 7.654 -0.088 13.050 464 HG2 GLU 63 1HG GLU 63 9.517 0.720 11.747 465 HG3 GLU 63 2HG GLU 63 8.832 2.347 11.646 466 H MET 64 H MET 64 6.854 -1.943 10.871 467 HA MET 64 HA MET 64 4.158 -2.529 11.936 468 HB2 MET 64 1HB MET 64 3.590 -3.736 9.803 469 HB3 MET 64 2HB MET 64 3.599 -1.976 9.677 470 HG2 MET 64 1HG MET 64 5.779 -2.006 8.598 471 HG3 MET 64 2HG MET 64 5.959 -3.732 8.899 472 HE1 MET 64 3HE MET 64 6.001 -3.542 5.157 473 HE2 MET 64 1HE MET 64 6.909 -3.184 6.630 474 HE3 MET 64 2HE MET 64 6.262 -4.824 6.361 475 H LEU 65 H LEU 65 3.749 -4.671 12.359 476 HA LEU 65 HA LEU 65 6.122 -6.422 12.654 477 HB2 LEU 65 1HB LEU 65 4.283 -5.495 14.542 478 HB3 LEU 65 2HB LEU 65 3.596 -7.041 14.122 479 HG LEU 65 HG LEU 65 4.963 -7.211 16.075 480 HD11 LEU 65 1HD1 LEU 65 4.991 -9.179 14.604 481 HD12 LEU 65 2HD1 LEU 65 6.497 -8.589 13.861 482 HD13 LEU 65 3HD1 LEU 65 6.467 -9.022 15.572 483 HD21 LEU 65 3HD2 LEU 65 7.324 -6.679 16.161 484 HD22 LEU 65 1HD2 LEU 65 7.340 -6.269 14.434 485 HD23 LEU 65 2HD2 LEU 65 6.413 -5.269 15.573 486 H ILE 66 H ILE 66 6.085 -8.462 11.993 487 HA ILE 66 HA ILE 66 3.768 -9.466 10.344 488 HB ILE 66 HB ILE 66 5.230 -10.366 8.744 489 HG12 ILE 66 1HG1 ILE 66 7.741 -9.049 9.409 490 HG13 ILE 66 2HG1 ILE 66 7.291 -10.099 10.730 491 HG21 ILE 66 1HG2 ILE 66 4.400 -8.031 8.545 492 HG22 ILE 66 2HG2 ILE 66 5.954 -7.446 9.169 493 HG23 ILE 66 3HG2 ILE 66 5.881 -8.363 7.645 494 HD11 ILE 66 3HD1 ILE 66 8.707 -11.140 8.863 495 HD12 ILE 66 1HD1 ILE 66 7.288 -12.053 9.383 496 HD13 ILE 66 2HD1 ILE 66 7.230 -11.120 7.883 497 H ALA 67 H ALA 67 5.123 -11.997 9.784 498 HA ALA 67 HA ALA 67 4.126 -13.621 11.836 499 HB1 ALA 67 1HB ALA 67 4.540 -14.272 9.464 500 HB2 ALA 67 2HB ALA 67 6.297 -14.175 9.754 501 HB3 ALA 67 3HB ALA 67 5.324 -15.399 10.592 502 H GLY 68 H GLY 68 7.165 -11.942 11.885 503 HA2 GLY 68 1HA GLY 68 7.783 -12.785 14.538 504 HA3 GLY 68 2HA GLY 68 8.769 -13.712 13.427 505 H PHE 69 H PHE 69 8.072 -10.405 12.464 506 HA PHE 69 HA PHE 69 10.709 -9.405 13.341 507 HB2 PHE 69 1HB PHE 69 9.970 -9.825 10.411 508 HB3 PHE 69 2HB PHE 69 11.355 -8.923 10.974 509 HD1 PHE 69 2HD PHE 69 13.282 -10.056 12.064 510 HD2 PHE 69 1HD PHE 69 10.005 -12.287 10.360 511 HE1 PHE 69 2HE PHE 69 14.681 -12.106 12.046 512 HE2 PHE 69 1HE PHE 69 11.409 -14.328 10.338 513 HZ PHE 69 HZ PHE 69 13.748 -14.244 11.182 514 H LEU 70 H LEU 70 11.025 -7.191 12.995 515 HA LEU 70 HA LEU 70 8.598 -5.545 12.465 516 HB2 LEU 70 1HB LEU 70 10.058 -5.277 14.585 517 HB3 LEU 70 2HB LEU 70 11.300 -4.670 13.505 518 HG LEU 70 HG LEU 70 10.285 -2.843 14.578 519 HD11 LEU 70 1HD1 LEU 70 10.701 -2.584 12.050 520 HD12 LEU 70 2HD1 LEU 70 8.930 -2.669 11.886 521 HD13 LEU 70 3HD1 LEU 70 9.676 -1.390 12.853 522 HD21 LEU 70 3HD2 LEU 70 7.890 -2.255 14.413 523 HD22 LEU 70 1HD2 LEU 70 7.569 -3.835 13.672 524 HD23 LEU 70 2HD2 LEU 70 8.201 -3.739 15.332 525 H TYR 71 H TYR 71 8.402 -4.686 10.562 526 HA TYR 71 HA TYR 71 10.784 -4.186 8.818 527 HB2 TYR 71 1HB TYR 71 7.970 -4.902 7.994 528 HB3 TYR 71 2HB TYR 71 9.222 -4.361 6.882 529 HD1 TYR 71 1HD TYR 71 11.601 -5.963 7.996 530 HD2 TYR 71 2HD TYR 71 7.528 -7.068 7.100 531 HE1 TYR 71 1HE TYR 71 12.308 -8.305 7.675 532 HE2 TYR 71 2HE TYR 71 8.208 -9.409 6.891 533 HH TYR 71 HH TYR 71 11.655 -10.444 7.198 534 H VAL 72 H VAL 72 11.132 -2.248 8.080 535 HA VAL 72 HA VAL 72 9.369 0.015 8.825 536 HB VAL 72 HB VAL 72 12.018 0.160 7.342 537 HG11 VAL 72 1HG1 VAL 72 10.551 2.169 7.172 538 HG12 VAL 72 2HG1 VAL 72 10.457 2.233 8.948 539 HG13 VAL 72 3HG1 VAL 72 12.005 2.501 8.126 540 HG21 VAL 72 3HG2 VAL 72 13.045 0.814 9.507 541 HG22 VAL 72 1HG2 VAL 72 11.547 0.334 10.337 542 HG23 VAL 72 2HG2 VAL 72 12.528 -0.871 9.459 543 H ALA 73 H ALA 73 7.848 0.575 7.368 544 HA ALA 73 HA ALA 73 8.088 -0.152 4.483 545 HB1 ALA 73 1HB ALA 73 5.966 -0.711 5.587 546 HB2 ALA 73 2HB ALA 73 5.780 0.976 6.120 547 HB3 ALA 73 3HB ALA 73 5.734 0.577 4.387 548 H ASP 74 H ASP 74 9.199 1.267 3.339 549 HA ASP 74 HA ASP 74 9.446 4.102 4.102 550 HB2 ASP 74 1HB ASP 74 11.457 2.841 3.474 551 HB3 ASP 74 2HB ASP 74 10.752 2.479 1.897 552 H LEU 75 H LEU 75 7.885 5.386 3.514 553 HA LEU 75 HA LEU 75 6.093 4.821 1.266 554 HB2 LEU 75 1HB LEU 75 6.151 6.825 3.541 555 HB3 LEU 75 2HB LEU 75 5.096 7.064 2.170 556 HG LEU 75 HG LEU 75 3.876 5.056 2.613 557 HD11 LEU 75 1HD1 LEU 75 5.529 3.525 3.550 558 HD12 LEU 75 2HD1 LEU 75 5.592 4.513 5.037 559 HD13 LEU 75 3HD1 LEU 75 4.098 3.673 4.575 560 HD21 LEU 75 3HD2 LEU 75 2.743 5.816 4.599 561 HD22 LEU 75 1HD2 LEU 75 4.225 6.575 5.230 562 HD23 LEU 75 2HD2 LEU 75 3.408 7.256 3.822 563 H GLU 76 H GLU 76 9.040 6.557 1.609 564 HA GLU 76 HA GLU 76 8.590 8.609 -0.385 565 HB2 GLU 76 1HB GLU 76 11.179 7.283 0.533 566 HB3 GLU 76 2HB GLU 76 11.055 8.664 -0.548 567 HG2 GLU 76 1HG GLU 76 9.771 9.779 1.406 568 HG3 GLU 76 2HG GLU 76 10.426 8.484 2.406 569 H ASN 77 H ASN 77 10.300 5.465 -0.528 570 HA ASN 77 HA ASN 77 10.439 5.589 -3.488 571 HB2 ASN 77 1HB ASN 77 11.832 3.802 -1.452 572 HB3 ASN 77 2HB ASN 77 12.156 3.841 -3.179 573 HD21 ASN 77 2HD2 ASN 77 12.377 5.801 -0.165 574 HD22 ASN 77 1HD2 ASN 77 13.705 6.790 -0.771 575 H MET 78 H MET 78 8.419 4.259 -1.219 576 HA MET 78 HA MET 78 6.924 2.543 -1.057 577 HB2 MET 78 1HB MET 78 7.100 2.398 -4.083 578 HB3 MET 78 2HB MET 78 5.880 1.635 -3.063 579 HG2 MET 78 1HG MET 78 6.181 4.611 -2.812 580 HG3 MET 78 2HG MET 78 5.512 3.962 -4.296 581 HE1 MET 78 3HE MET 78 3.440 4.072 -0.217 582 HE2 MET 78 1HE MET 78 4.996 3.228 -0.328 583 HE3 MET 78 2HE MET 78 4.882 4.964 -0.726 584 H VAL 79 H VAL 79 8.974 1.675 -0.058 585 HA VAL 79 HA VAL 79 9.193 -1.137 -0.957 586 HB VAL 79 HB VAL 79 11.596 -1.309 -0.525 587 HG11 VAL 79 1HG1 VAL 79 10.845 -1.007 -2.842 588 HG12 VAL 79 2HG1 VAL 79 11.059 0.754 -2.684 589 HG13 VAL 79 3HG1 VAL 79 12.453 -0.337 -2.560 590 HG21 VAL 79 3HG2 VAL 79 13.048 0.673 -0.383 591 HG22 VAL 79 1HG2 VAL 79 11.620 1.727 -0.302 592 HG23 VAL 79 2HG2 VAL 79 11.959 0.558 0.999 593 H GLN 80 H GLN 80 10.263 -2.517 0.836 594 HA GLN 80 HA GLN 80 10.060 -1.336 3.520 595 HB2 GLN 80 1HB GLN 80 8.515 -2.994 4.356 596 HB3 GLN 80 2HB GLN 80 7.795 -2.193 2.971 597 HG2 GLN 80 1HG GLN 80 7.303 -4.280 2.266 598 HG3 GLN 80 2HG GLN 80 8.953 -4.353 1.704 599 HE21 GLN 80 2HE2 GLN 80 10.547 -5.535 3.139 600 HE22 GLN 80 1HE2 GLN 80 9.881 -6.744 4.250 601 H TYR 81 H TYR 81 11.310 -2.294 5.083 602 HA TYR 81 HA TYR 81 12.949 -4.678 4.504 603 HB2 TYR 81 1HB TYR 81 15.053 -3.279 4.845 604 HB3 TYR 81 2HB TYR 81 14.235 -3.160 3.317 605 HD1 TYR 81 2HD TYR 81 14.401 -1.345 6.641 606 HD2 TYR 81 1HD TYR 81 13.773 -1.077 2.382 607 HE1 TYR 81 2HE TYR 81 14.463 1.120 6.787 608 HE2 TYR 81 1HE TYR 81 13.890 1.376 2.501 609 HH TYR 81 HH TYR 81 14.374 3.115 5.625 610 H ARG 82 H ARG 82 14.449 -5.231 6.247 611 HA ARG 82 HA ARG 82 13.365 -4.907 8.931 612 HB2 ARG 82 1HB ARG 82 14.413 -6.967 8.168 613 HB3 ARG 82 2HB ARG 82 15.937 -6.131 7.857 614 HG2 ARG 82 1HG ARG 82 16.281 -5.734 10.234 615 HG3 ARG 82 2HG ARG 82 14.655 -6.345 10.622 616 HD2 ARG 82 1HD ARG 82 15.240 -8.571 9.887 617 HD3 ARG 82 2HD ARG 82 16.787 -8.029 9.240 618 HE ARG 82 HE ARG 82 16.044 -8.368 12.101 619 HH11 ARG 82 1HH1 ARG 82 18.635 -7.385 9.855 620 HH12 ARG 82 2HH1 ARG 82 19.873 -7.860 10.972 621 HH21 ARG 82 1HH2 ARG 82 17.711 -8.800 13.527 622 HH22 ARG 82 2HH2 ARG 82 19.362 -8.562 13.042 623 H ARG 83 H ARG 83 14.140 -3.667 10.627 624 HA ARG 83 HA ARG 83 14.979 -1.082 10.065 625 HB2 ARG 83 1HB ARG 83 15.433 -2.505 12.719 626 HB3 ARG 83 2HB ARG 83 15.347 -0.761 12.445 627 HG2 ARG 83 1HG ARG 83 12.960 -1.077 11.655 628 HG3 ARG 83 2HG ARG 83 13.090 -2.774 12.155 629 HD2 ARG 83 1HD ARG 83 12.075 -1.761 13.972 630 HD3 ARG 83 2HD ARG 83 13.754 -1.848 14.491 631 HE ARG 83 HE ARG 83 12.162 0.540 13.643 632 HH11 ARG 83 1HH1 ARG 83 15.271 -0.488 15.042 633 HH12 ARG 83 2HH1 ARG 83 15.623 1.140 15.543 634 HH21 ARG 83 1HH2 ARG 83 12.608 2.414 14.300 635 HH22 ARG 83 2HH2 ARG 83 14.115 2.829 15.117 636 H ASN 84 H ASN 84 17.106 -3.808 10.790 637 HA ASN 84 HA ASN 84 19.411 -2.186 11.400 638 HB2 ASN 84 1HB ASN 84 19.158 -5.157 10.855 639 HB3 ASN 84 2HB ASN 84 20.561 -4.363 11.561 640 HD21 ASN 84 2HD2 ASN 84 20.508 -3.761 13.792 641 HD22 ASN 84 1HD2 ASN 84 19.160 -4.202 14.825 642 H GLU 85 H GLU 85 18.168 -3.303 8.318 643 HA GLU 85 HA GLU 85 20.393 -2.020 6.989 644 HB2 GLU 85 1HB GLU 85 21.043 -3.887 5.561 645 HB3 GLU 85 2HB GLU 85 21.525 -4.093 7.230 646 HG2 GLU 85 1HG GLU 85 19.074 -5.434 6.025 647 HG3 GLU 85 2HG GLU 85 20.678 -6.139 5.992 648 H HIS 86 H HIS 86 19.719 -0.947 5.357 649 HA HIS 86 HA HIS 86 16.981 -1.140 4.399 650 HB2 HIS 86 1HB HIS 86 17.519 0.850 3.149 651 HB3 HIS 86 2HB HIS 86 18.130 0.995 4.797 652 HD2 HIS 86 2HD HIS 86 20.742 1.286 5.116 653 HE1 HIS 86 1HE HIS 86 21.906 1.104 1.024 654 HE2 HIS 86 2HE HIS 86 22.709 1.591 3.393 655 H GLY 87 H GLY 87 19.920 -2.496 3.334 656 HA2 GLY 87 1HA GLY 87 19.394 -2.760 0.497 657 HA3 GLY 87 2HA GLY 87 20.611 -3.655 1.436 658 H ARG 88 H ARG 88 18.355 -4.647 3.254 659 HA ARG 88 HA ARG 88 17.474 -6.931 1.583 660 HB2 ARG 88 1HB ARG 88 17.308 -6.433 4.584 661 HB3 ARG 88 2HB ARG 88 16.745 -7.897 3.779 662 HG2 ARG 88 1HG ARG 88 19.627 -6.914 3.718 663 HG3 ARG 88 2HG ARG 88 19.005 -8.102 4.848 664 HD2 ARG 88 1HD ARG 88 18.392 -8.783 2.024 665 HD3 ARG 88 2HD ARG 88 20.108 -8.611 2.316 666 HE ARG 88 HE ARG 88 18.286 -10.686 3.326 667 HH11 ARG 88 1HH1 ARG 88 21.439 -9.184 3.993 668 HH12 ARG 88 2HH1 ARG 88 22.056 -10.631 4.737 669 HH21 ARG 88 1HH2 ARG 88 19.181 -12.520 4.133 670 HH22 ARG 88 2HH2 ARG 88 20.770 -12.487 4.871 671 H ARG 89 H ARG 89 16.269 -5.141 0.406 672 HA ARG 89 HA ARG 89 13.646 -4.547 1.663 673 HB2 ARG 89 1HB ARG 89 13.518 -2.564 0.296 674 HB3 ARG 89 2HB ARG 89 14.956 -2.594 1.309 675 HG2 ARG 89 1HG ARG 89 16.374 -3.153 -0.583 676 HG3 ARG 89 2HG ARG 89 14.955 -3.197 -1.666 677 HD2 ARG 89 1HD ARG 89 14.529 -0.853 -1.301 678 HD3 ARG 89 2HD ARG 89 15.733 -0.768 -0.018 679 HE ARG 89 HE ARG 89 16.226 -0.959 -2.948 680 HH11 ARG 89 1HH2 ARG 89 17.697 -0.698 0.259 681 HH12 ARG 89 2HH2 ARG 89 19.165 -0.003 -0.365 682 HH21 ARG 89 1HH1 ARG 89 18.182 -0.167 -3.703 683 HH22 ARG 89 2HH1 ARG 89 19.460 0.212 -2.590 684 H ARG 90 H ARG 90 11.769 -4.508 0.549 685 HA ARG 90 HA ARG 90 11.553 -5.842 -2.122 686 HB2 ARG 90 1HB ARG 90 9.847 -6.342 0.360 687 HB3 ARG 90 2HB ARG 90 9.433 -6.910 -1.247 688 HG2 ARG 90 1HG ARG 90 11.924 -7.788 0.289 689 HG3 ARG 90 2HG ARG 90 10.382 -8.630 0.273 690 HD2 ARG 90 1HD ARG 90 11.694 -9.792 -1.279 691 HD3 ARG 90 2HD ARG 90 10.573 -8.822 -2.247 692 HE ARG 90 HE ARG 90 13.133 -7.506 -1.737 693 HH11 ARG 90 1HH1 ARG 90 11.591 -9.786 -3.965 694 HH12 ARG 90 2HH1 ARG 90 12.710 -9.409 -5.243 695 HH21 ARG 90 1HH2 ARG 90 14.488 -7.059 -3.376 696 HH22 ARG 90 2HH2 ARG 90 14.355 -7.879 -4.909 697 H LYS 91 H LYS 91 9.989 -5.001 -3.444 698 HA LYS 91 HA LYS 91 9.072 -2.300 -3.098 699 HB2 LYS 91 1HB LYS 91 8.741 -4.572 -5.027 700 HB3 LYS 91 2HB LYS 91 7.507 -3.340 -5.096 701 HG2 LYS 91 1HG LYS 91 10.445 -2.574 -5.145 702 HG3 LYS 91 2HG LYS 91 9.658 -3.171 -6.595 703 HD2 LYS 91 1HD LYS 91 8.792 -0.725 -5.002 704 HD3 LYS 91 2HD LYS 91 9.679 -0.707 -6.512 705 HE2 LYS 91 1HE LYS 91 6.797 -1.545 -6.044 706 HE3 LYS 91 2HE LYS 91 7.389 -0.182 -6.985 707 HZ1 LYS 91 3HZ LYS 91 6.756 -1.950 -8.466 708 HZ2 LYS 91 1HZ LYS 91 8.383 -1.830 -8.540 709 HZ3 LYS 91 2HZ LYS 91 7.680 -3.061 -7.703 710 H ILE 92 H ILE 92 7.068 -1.407 -2.742 711 HA ILE 92 HA ILE 92 4.769 -3.181 -2.098 712 HB ILE 92 HB ILE 92 4.044 -1.831 -0.239 713 HG12 ILE 92 1HG1 ILE 92 6.629 -0.301 -0.560 714 HG13 ILE 92 2HG1 ILE 92 5.023 0.305 -0.985 715 HG21 ILE 92 1HG2 ILE 92 5.575 -3.779 0.159 716 HG22 ILE 92 2HG2 ILE 92 6.938 -2.646 0.256 717 HG23 ILE 92 3HG2 ILE 92 5.611 -2.557 1.430 718 HD11 ILE 92 3HD1 ILE 92 5.659 1.270 1.092 719 HD12 ILE 92 1HD1 ILE 92 4.402 0.059 1.455 720 HD13 ILE 92 2HD1 ILE 92 6.119 -0.296 1.779 721 H LYS 93 H LYS 93 2.668 -1.931 -2.105 722 HA LYS 93 HA LYS 93 2.578 0.570 -3.589 723 HB2 LYS 93 1HB LYS 93 1.371 -0.164 -5.523 724 HB3 LYS 93 2HB LYS 93 2.845 -1.119 -5.447 725 HG2 LYS 93 1HG LYS 93 1.622 -3.045 -4.589 726 HG3 LYS 93 2HG LYS 93 0.135 -2.111 -4.425 727 HD2 LYS 93 1HD LYS 93 -0.006 -1.775 -6.832 728 HD3 LYS 93 2HD LYS 93 1.490 -2.706 -7.077 729 HE2 LYS 93 1HE LYS 93 0.477 -4.724 -6.221 730 HE3 LYS 93 2HE LYS 93 -0.926 -3.841 -5.600 731 HZ1 LYS 93 3HZ LYS 93 -1.360 -5.025 -7.710 732 HZ2 LYS 93 1HZ LYS 93 -1.677 -3.427 -7.796 733 HZ3 LYS 93 2HZ LYS 93 -0.309 -4.041 -8.490 734 H ARG 94 H ARG 94 0.373 1.337 -3.972 735 HA ARG 94 HA ARG 94 -1.692 0.328 -2.048 736 HB2 ARG 94 1HB ARG 94 -1.373 3.026 -3.440 737 HB3 ARG 94 2HB ARG 94 -2.859 2.494 -2.639 738 HG2 ARG 94 1HG ARG 94 -1.610 2.177 -0.529 739 HG3 ARG 94 2HG ARG 94 -0.147 2.808 -1.299 740 HD2 ARG 94 1HD ARG 94 -1.086 4.606 -0.052 741 HD3 ARG 94 2HD ARG 94 -1.398 4.967 -1.739 742 HE ARG 94 HE ARG 94 -3.366 4.071 0.346 743 HH11 ARG 94 1HH1 ARG 94 -2.964 5.266 -2.981 744 HH12 ARG 94 2HH1 ARG 94 -4.654 5.654 -3.112 745 HH21 ARG 94 1HH2 ARG 94 -5.433 4.715 0.152 746 HH22 ARG 94 2HH2 ARG 94 -6.049 5.306 -1.373 747 H ASP 95 H ASP 95 -3.715 -0.197 -2.865 748 HA ASP 95 HA ASP 95 -4.372 0.151 -5.697 749 HB2 ASP 95 1HB ASP 95 -3.143 -2.262 -5.007 750 HB3 ASP 95 2HB ASP 95 -4.870 -2.634 -4.871 751 H ILE 96 H ILE 96 -6.584 -1.156 -6.025 752 HA ILE 96 HA ILE 96 -8.462 -0.328 -3.831 753 HB ILE 96 HB ILE 96 -8.707 0.268 -6.797 754 HG12 ILE 96 1HG1 ILE 96 -6.999 1.717 -5.748 755 HG13 ILE 96 2HG1 ILE 96 -8.400 2.610 -6.301 756 HG21 ILE 96 1HG2 ILE 96 -10.922 -0.027 -5.848 757 HG22 ILE 96 2HG2 ILE 96 -10.515 0.942 -4.417 758 HG23 ILE 96 3HG2 ILE 96 -10.669 1.712 -6.006 759 HD11 ILE 96 3HD1 ILE 96 -7.446 3.240 -3.997 760 HD12 ILE 96 1HD1 ILE 96 -9.200 2.975 -4.107 761 HD13 ILE 96 2HD1 ILE 96 -8.167 1.715 -3.419 762 H ILE 97 H ILE 97 -10.129 -1.593 -3.544 763 HA ILE 97 HA ILE 97 -10.314 -4.187 -4.993 764 HB ILE 97 HB ILE 97 -11.825 -3.225 -2.562 765 HG12 ILE 97 1HG1 ILE 97 -10.361 -5.178 -1.555 766 HG13 ILE 97 2HG1 ILE 97 -9.271 -4.808 -2.886 767 HG21 ILE 97 1HG2 ILE 97 -13.143 -4.833 -3.713 768 HG22 ILE 97 2HG2 ILE 97 -11.751 -5.936 -3.902 769 HG23 ILE 97 3HG2 ILE 97 -12.451 -5.607 -2.295 770 HD11 ILE 97 3HD1 ILE 97 -9.059 -3.643 -0.510 771 HD12 ILE 97 1HD1 ILE 97 -8.713 -2.721 -1.994 772 HD13 ILE 97 2HD1 ILE 97 -10.267 -2.535 -1.153 773 H ASP 98 H ASP 98 -11.962 -4.798 -6.260 774 HA ASP 98 HA ASP 98 -13.940 -2.730 -7.060 775 HB2 ASP 98 1HB ASP 98 -12.290 -3.685 -8.699 776 HB3 ASP 98 2HB ASP 98 -13.082 -5.250 -8.519 777 H ILE 99 H ILE 99 -13.870 -5.660 -5.409 778 HA ILE 99 HA ILE 99 -15.373 -6.860 -4.253 779 HB ILE 99 HB ILE 99 -17.576 -5.082 -5.299 780 HG12 ILE 99 1HG1 ILE 99 -15.866 -3.753 -4.089 781 HG13 ILE 99 2HG1 ILE 99 -17.417 -3.789 -3.279 782 HG21 ILE 99 1HG2 ILE 99 -18.476 -7.157 -4.425 783 HG22 ILE 99 2HG2 ILE 99 -17.565 -6.966 -2.917 784 HG23 ILE 99 3HG2 ILE 99 -18.851 -5.819 -3.340 785 HD11 ILE 99 3HD1 ILE 99 -15.456 -3.978 -1.742 786 HD12 ILE 99 1HD1 ILE 99 -16.588 -5.330 -1.590 787 HD13 ILE 99 2HD1 ILE 99 -15.058 -5.545 -2.467 788 HA PRO 100 HA PRO 100 -16.333 -9.777 -7.482 789 HB2 PRO 100 1HB PRO 100 -16.807 -12.020 -6.005 790 HB3 PRO 100 2HB PRO 100 -15.187 -11.286 -6.169 791 HG2 PRO 100 1HG PRO 100 -17.180 -10.932 -3.904 792 HG3 PRO 100 2HG PRO 100 -15.433 -11.306 -3.787 793 HD2 PRO 100 1HD PRO 100 -16.422 -8.754 -3.542 794 HD3 PRO 100 2HD PRO 100 -14.830 -9.089 -4.280 795 H LYS 101 H LYS 101 -18.028 -11.098 -8.296 796 HA LYS 101 HA LYS 101 -20.597 -9.901 -8.136 797 HB2 LYS 101 1HB LYS 101 -21.284 -11.570 -9.738 798 HB3 LYS 101 2HB LYS 101 -19.687 -10.942 -10.146 799 HG2 LYS 101 1HG LYS 101 -18.640 -12.998 -9.175 800 HG3 LYS 101 2HG LYS 101 -20.256 -13.624 -8.790 801 HD2 LYS 101 1HD LYS 101 -20.852 -13.573 -11.197 802 HD3 LYS 101 2HD LYS 101 -19.235 -12.947 -11.584 803 HE2 LYS 101 1HE LYS 101 -18.212 -14.993 -10.602 804 HE3 LYS 101 2HE LYS 101 -19.822 -15.615 -10.216 805 HZ1 LYS 101 3HZ LYS 101 -18.989 -16.542 -12.294 806 HZ2 LYS 101 1HZ LYS 101 -20.312 -15.636 -12.600 807 HZ3 LYS 101 2HZ LYS 101 -18.823 -15.059 -12.957 808 H LYS 102 H LYS 102 -19.321 -12.475 -6.218 809 HA LYS 102 HA LYS 102 -21.959 -13.298 -5.140 810 HB2 LYS 102 1HB LYS 102 -20.088 -14.886 -5.610 811 HB3 LYS 102 2HB LYS 102 -19.123 -14.102 -4.353 812 HG2 LYS 102 1HG LYS 102 -20.823 -14.732 -2.653 813 HG3 LYS 102 2HG LYS 102 -21.814 -15.487 -3.908 814 HD2 LYS 102 1HD LYS 102 -18.988 -16.338 -3.127 815 HD3 LYS 102 2HD LYS 102 -20.480 -17.097 -2.555 816 HE2 LYS 102 1HE LYS 102 -21.091 -17.659 -4.911 817 HE3 LYS 102 2HE LYS 102 -19.564 -16.958 -5.466 818 HZ1 LYS 102 3HZ LYS 102 -19.387 -19.356 -5.205 819 HZ2 LYS 102 1HZ LYS 102 -18.392 -18.625 -4.138 820 HZ3 LYS 102 2HZ LYS 102 -19.803 -19.276 -3.627 821 H GLY 103 H GLY 103 -19.377 -11.076 -4.334 822 HA2 GLY 103 1HA GLY 103 -20.184 -10.684 -1.522 823 HA3 GLY 103 2HA GLY 103 -18.881 -9.852 -2.402 824 H VAL 104 H VAL 104 -20.429 -8.874 -4.593 825 HA VAL 104 HA VAL 104 -21.629 -6.532 -3.422 826 HB VAL 104 HB VAL 104 -20.486 -6.585 -5.628 827 HG11 VAL 104 1HG1 VAL 104 -21.602 -8.642 -6.557 828 HG12 VAL 104 2HG1 VAL 104 -23.078 -7.686 -6.785 829 HG13 VAL 104 3HG1 VAL 104 -21.594 -7.248 -7.651 830 HG21 VAL 104 3HG2 VAL 104 -21.901 -4.904 -6.672 831 HG22 VAL 104 1HG2 VAL 104 -23.296 -5.418 -5.704 832 HG23 VAL 104 2HG2 VAL 104 -21.885 -4.680 -4.915 833 H SER 105 H SER 105 -23.738 -5.955 -3.071 834 HA SER 105 HA SER 105 -26.045 -7.479 -3.943 835 HB2 SER 105 1HB SER 105 -25.037 -8.919 -2.092 836 HB3 SER 105 2HB SER 105 -25.401 -7.594 -0.976 837 HG SER 105 HG SER 105 -27.083 -9.200 -1.085 838 H GLY 106 H GLY 106 -28.072 -6.609 -2.879 839 HA2 GLY 106 1HA GLY 106 -27.986 -3.678 -2.937 840 HA3 GLY 106 2HA GLY 106 -29.435 -4.696 -2.842 841 HA PRO 107 HA PRO 107 -28.278 -2.891 1.418 842 HB2 PRO 107 1HB PRO 107 -29.718 -0.589 1.565 843 HB3 PRO 107 2HB PRO 107 -28.112 -0.657 0.775 844 HG2 PRO 107 1HG PRO 107 -30.841 -0.830 -0.555 845 HG3 PRO 107 2HG PRO 107 -29.467 0.238 -0.992 846 HD2 PRO 107 1HD PRO 107 -29.915 -2.142 -2.254 847 HD3 PRO 107 2HD PRO 107 -28.256 -1.553 -1.932 848 H SER 108 H SER 108 -29.673 -2.906 3.285 849 HA SER 108 HA SER 108 -31.979 -4.617 3.039 850 HB2 SER 108 1HB SER 108 -30.998 -3.078 5.467 851 HB3 SER 108 2HB SER 108 -32.024 -4.516 5.466 852 HG SER 108 HG SER 108 -30.258 -5.725 4.653 853 H SER 109 H SER 109 -31.864 -1.304 2.553 854 HA SER 109 HA SER 109 -34.727 -0.903 2.726 855 HB2 SER 109 1HB SER 109 -34.682 0.899 4.399 856 HB3 SER 109 2HB SER 109 -34.236 -0.655 5.102 857 HG SER 109 HG SER 109 -32.845 1.044 5.802 858 H GLY 110 H GLY 110 -35.352 1.332 2.083 859 HA2 GLY 110 1HA GLY 110 -33.536 3.234 0.953 860 HA3 GLY 110 2HA GLY 110 -34.112 2.158 -0.320 861 H5'1 ATP 201 H5" ATP 111 11.504 -13.216 6.548 862 H5'2 ATP 201 H5' ATP 111 11.110 -13.721 4.897 863 H4' ATP 201 H4' ATP 111 9.462 -14.534 7.326 864 H3' ATP 201 H3' ATP 111 9.350 -15.533 4.717 865 HO3' ATP 201 H3T ATP 111 8.084 -16.410 6.392 866 H2' ATP 201 H2' ATP 111 8.881 -13.386 3.769 867 HO2' ATP 201 2HO ATP 111 6.503 -14.827 4.296 868 H1' ATP 201 H1' ATP 111 6.973 -13.017 6.106 869 H8 ATP 201 8H ATP 111 9.490 -10.840 4.022 870 HN61 ATP 201 2H6 ATP 111 6.264 -7.079 3.365 871 HN62 ATP 201 1H6 ATP 111 4.542 -7.013 3.750 872 H2 ATP 201 2H ATP 111 3.579 -10.152 6.435 Start of MODEL 5 1 HA PRO 1 HA PRO 1 5.444 15.693 2.632 2 HB2 PRO 1 1HB PRO 1 3.876 13.282 3.567 3 HB3 PRO 1 2HB PRO 1 4.443 13.702 1.923 4 HG2 PRO 1 1HG PRO 1 5.788 12.100 3.924 5 HG3 PRO 1 2HG PRO 1 6.471 12.611 2.352 6 HD2 PRO 1 1HD PRO 1 7.469 13.490 4.786 7 HD3 PRO 1 2HD PRO 1 7.572 14.412 3.266 8 H SER 2 H SER 2 3.329 16.454 1.996 9 HA SER 2 HA SER 2 2.168 18.112 4.011 10 HB2 SER 2 1HB SER 2 1.270 17.738 1.139 11 HB3 SER 2 2HB SER 2 1.044 19.157 2.178 12 HG SER 2 HG SER 2 2.811 19.442 0.723 13 H SER 3 H SER 3 1.523 15.287 4.473 14 HA SER 3 HA SER 3 -0.161 13.960 5.260 15 HB2 SER 3 1HB SER 3 -1.612 16.609 5.543 16 HB3 SER 3 2HB SER 3 -1.967 15.116 6.417 17 HG SER 3 HG SER 3 -0.636 16.541 7.650 18 H GLY 4 H GLY 4 -0.468 15.001 2.232 19 HA2 GLY 4 1HA GLY 4 -1.881 14.552 0.449 20 HA3 GLY 4 2HA GLY 4 -2.821 13.466 1.504 21 H SER 5 H SER 5 -2.349 16.747 2.565 22 HA SER 5 HA SER 5 -5.077 17.608 1.721 23 HB2 SER 5 1HB SER 5 -5.329 16.040 3.661 24 HB3 SER 5 2HB SER 5 -4.371 17.159 4.642 25 HG SER 5 HG SER 5 -6.663 17.474 4.870 26 H SER 6 H SER 6 -2.052 18.450 3.496 27 HA SER 6 HA SER 6 -2.709 21.335 3.445 28 HB2 SER 6 1HB SER 6 -1.370 20.153 5.248 29 HB3 SER 6 2HB SER 6 -0.064 19.984 4.064 30 HG SER 6 HG SER 6 0.136 21.878 5.407 31 H GLY 7 H GLY 7 -1.496 19.000 1.274 32 HA2 GLY 7 1HA GLY 7 -1.216 20.867 -0.904 33 HA3 GLY 7 2HA GLY 7 0.343 20.220 -0.419 34 H PHE 8 H PHE 8 -0.722 19.742 -2.939 35 HA PHE 8 HA PHE 8 -2.020 17.136 -3.062 36 HB2 PHE 8 1HB PHE 8 -1.917 17.447 -5.465 37 HB3 PHE 8 2HB PHE 8 -2.545 18.875 -4.679 38 HD1 PHE 8 1HD PHE 8 0.328 17.443 -6.533 39 HD2 PHE 8 2HD PHE 8 -1.320 21.007 -4.744 40 HE1 PHE 8 1HE PHE 8 2.023 18.823 -7.711 41 HE2 PHE 8 2HE PHE 8 0.378 22.380 -5.924 42 HZ PHE 8 HZ PHE 8 2.053 21.293 -7.408 43 H LEU 9 H LEU 9 -1.182 15.349 -4.314 44 HA LEU 9 HA LEU 9 1.697 14.988 -4.639 45 HB2 LEU 9 1HB LEU 9 1.352 14.507 -2.233 46 HB3 LEU 9 2HB LEU 9 0.053 13.387 -2.633 47 HG LEU 9 HG LEU 9 1.686 11.884 -3.759 48 HD11 LEU 9 1HD1 LEU 9 3.416 13.500 -4.464 49 HD12 LEU 9 2HD1 LEU 9 3.785 13.870 -2.765 50 HD13 LEU 9 3HD1 LEU 9 4.126 12.258 -3.431 51 HD21 LEU 9 3HD2 LEU 9 2.802 11.102 -1.708 52 HD22 LEU 9 1HD2 LEU 9 2.461 12.654 -0.913 53 HD23 LEU 9 2HD2 LEU 9 1.127 11.573 -1.375 54 H ASP 10 H ASP 10 2.112 13.587 -6.254 55 HA ASP 10 HA ASP 10 0.103 11.670 -7.278 56 HB2 ASP 10 1HB ASP 10 1.314 13.978 -8.838 57 HB3 ASP 10 2HB ASP 10 0.599 12.563 -9.605 58 H LYS 11 H LYS 11 1.011 9.973 -8.442 59 HA LYS 11 HA LYS 11 3.971 9.697 -8.484 60 HB2 LYS 11 1HB LYS 11 1.846 8.042 -7.074 61 HB3 LYS 11 2HB LYS 11 3.337 7.293 -7.585 62 HG2 LYS 11 1HG LYS 11 4.162 9.699 -6.298 63 HG3 LYS 11 2HG LYS 11 2.837 9.067 -5.310 64 HD2 LYS 11 1HD LYS 11 4.054 6.855 -5.242 65 HD3 LYS 11 2HD LYS 11 5.379 7.611 -6.168 66 HE2 LYS 11 1HE LYS 11 5.647 9.309 -4.342 67 HE3 LYS 11 2HE LYS 11 4.336 8.536 -3.443 68 HZ1 LYS 11 3HZ LYS 11 6.392 7.709 -2.588 69 HZ2 LYS 11 1HZ LYS 11 5.721 6.495 -3.426 70 HZ3 LYS 11 2HZ LYS 11 6.980 7.342 -4.066 71 HA PRO 12 HA PRO 12 3.637 8.156 -12.444 72 HB2 PRO 12 1HB PRO 12 5.706 6.394 -12.721 73 HB3 PRO 12 2HB PRO 12 5.934 8.134 -12.400 74 HG2 PRO 12 1HG PRO 12 5.876 5.844 -10.414 75 HG3 PRO 12 2HG PRO 12 7.131 7.122 -10.558 76 HD2 PRO 12 1HD PRO 12 5.096 7.302 -8.743 77 HD3 PRO 12 2HD PRO 12 5.700 8.746 -9.565 78 H THR 13 H THR 13 3.611 6.279 -13.892 79 HA THR 13 HA THR 13 2.475 3.729 -13.306 80 HB THR 13 HB THR 13 0.636 5.198 -12.390 81 HG1 THR 13 1HG THR 13 -0.096 3.299 -13.011 82 HG21 THR 13 3HG2 THR 13 -0.842 6.200 -14.260 83 HG22 THR 13 1HG2 THR 13 0.566 7.130 -13.699 84 HG23 THR 13 2HG2 THR 13 0.619 6.251 -15.235 85 H LEU 14 H LEU 14 1.047 3.157 -15.287 86 HA LEU 14 HA LEU 14 2.462 3.848 -17.839 87 HB2 LEU 14 1HB LEU 14 0.757 1.454 -17.059 88 HB3 LEU 14 2HB LEU 14 1.617 1.632 -18.575 89 HG LEU 14 HG LEU 14 3.327 1.803 -16.079 90 HD11 LEU 14 1HD1 LEU 14 1.735 0.085 -15.465 91 HD12 LEU 14 2HD1 LEU 14 2.037 -0.790 -16.988 92 HD13 LEU 14 3HD1 LEU 14 3.336 -0.620 -15.778 93 HD21 LEU 14 3HD2 LEU 14 4.880 0.516 -17.455 94 HD22 LEU 14 1HD2 LEU 14 3.649 0.309 -18.718 95 HD23 LEU 14 2HD2 LEU 14 4.299 1.925 -18.359 96 H LEU 15 H LEU 15 -0.421 4.162 -16.024 97 HA LEU 15 HA LEU 15 -2.257 4.529 -18.304 98 HB2 LEU 15 1HB LEU 15 -2.863 5.011 -15.368 99 HB3 LEU 15 2HB LEU 15 -3.982 4.678 -16.680 100 HG LEU 15 HG LEU 15 -2.084 2.696 -15.370 101 HD11 LEU 15 1HD1 LEU 15 -4.129 3.299 -14.105 102 HD12 LEU 15 2HD1 LEU 15 -5.127 2.860 -15.509 103 HD13 LEU 15 3HD1 LEU 15 -4.178 1.618 -14.663 104 HD21 LEU 15 3HD2 LEU 15 -3.159 0.983 -16.831 105 HD22 LEU 15 1HD2 LEU 15 -3.948 2.286 -17.752 106 HD23 LEU 15 2HD2 LEU 15 -2.173 2.126 -17.745 107 H SER 16 H SER 16 -3.931 6.433 -17.343 108 HA SER 16 HA SER 16 -2.520 8.996 -17.856 109 HB2 SER 16 1HB SER 16 -5.169 7.779 -18.650 110 HB3 SER 16 2HB SER 16 -4.932 9.489 -18.691 111 HG SER 16 HG SER 16 -4.434 8.479 -20.729 112 HA PRO 17 HA PRO 17 -3.996 10.657 -14.048 113 HB2 PRO 17 1HB PRO 17 -4.815 13.202 -14.698 114 HB3 PRO 17 2HB PRO 17 -3.103 12.683 -14.652 115 HG2 PRO 17 1HG PRO 17 -4.932 12.842 -17.073 116 HG3 PRO 17 2HG PRO 17 -3.256 13.468 -16.905 117 HD2 PRO 17 1HD PRO 17 -3.732 11.096 -18.088 118 HD3 PRO 17 2HD PRO 17 -2.324 11.315 -17.004 119 H GLU 18 H GLU 18 -6.242 10.632 -16.751 120 HA GLU 18 HA GLU 18 -8.602 10.941 -15.035 121 HB2 GLU 18 1HB GLU 18 -9.881 10.810 -17.092 122 HB3 GLU 18 2HB GLU 18 -8.583 11.993 -17.213 123 HG2 GLU 18 1HG GLU 18 -7.217 10.373 -18.518 124 HG3 GLU 18 2HG GLU 18 -8.513 9.178 -18.394 125 H GLU 19 H GLU 19 -6.639 8.263 -15.836 126 HA GLU 19 HA GLU 19 -8.800 6.246 -15.749 127 HB2 GLU 19 1HB GLU 19 -5.784 6.155 -16.042 128 HB3 GLU 19 2HB GLU 19 -6.690 4.716 -15.664 129 HG2 GLU 19 1HG GLU 19 -7.175 6.483 -18.096 130 HG3 GLU 19 2HG GLU 19 -6.169 5.036 -18.089 131 H LEU 20 H LEU 20 -5.933 7.151 -13.890 132 HA LEU 20 HA LEU 20 -6.164 5.397 -11.687 133 HB2 LEU 20 1HB LEU 20 -5.093 8.247 -11.726 134 HB3 LEU 20 2HB LEU 20 -4.646 7.021 -10.560 135 HG LEU 20 HG LEU 20 -4.094 6.496 -13.504 136 HD11 LEU 20 1HD1 LEU 20 -3.400 8.827 -12.990 137 HD12 LEU 20 2HD1 LEU 20 -2.316 8.197 -11.728 138 HD13 LEU 20 3HD1 LEU 20 -2.076 7.765 -13.444 139 HD21 LEU 20 3HD2 LEU 20 -2.190 5.257 -12.612 140 HD22 LEU 20 1HD2 LEU 20 -2.566 5.791 -10.964 141 HD23 LEU 20 2HD2 LEU 20 -3.681 4.709 -11.832 142 H LYS 21 H LYS 21 -7.230 8.783 -11.976 143 HA LYS 21 HA LYS 21 -8.564 8.935 -9.440 144 HB2 LYS 21 1HB LYS 21 -8.611 10.566 -11.984 145 HB3 LYS 21 2HB LYS 21 -9.797 10.882 -10.730 146 HG2 LYS 21 1HG LYS 21 -7.816 12.355 -10.600 147 HG3 LYS 21 2HG LYS 21 -8.164 11.477 -9.112 148 HD2 LYS 21 1HD LYS 21 -6.311 9.970 -9.451 149 HD3 LYS 21 2HD LYS 21 -6.061 10.562 -11.103 150 HE2 LYS 21 1HE LYS 21 -5.477 12.808 -10.210 151 HE3 LYS 21 2HE LYS 21 -5.727 12.219 -8.561 152 HZ1 LYS 21 3HZ LYS 21 -3.371 12.174 -9.200 153 HZ2 LYS 21 1HZ LYS 21 -3.902 10.657 -8.906 154 HZ3 LYS 21 2HZ LYS 21 -3.686 11.172 -10.447 155 H ALA 22 H ALA 22 -9.741 7.791 -12.606 156 HA ALA 22 HA ALA 22 -12.531 7.618 -11.755 157 HB1 ALA 22 1HB ALA 22 -11.953 7.877 -14.115 158 HB2 ALA 22 2HB ALA 22 -11.044 6.348 -14.103 159 HB3 ALA 22 3HB ALA 22 -12.804 6.345 -13.865 160 H ALA 23 H ALA 23 -9.857 5.228 -12.026 161 HA ALA 23 HA ALA 23 -11.273 2.955 -11.076 162 HB1 ALA 23 1HB ALA 23 -9.046 2.917 -12.194 163 HB2 ALA 23 2HB ALA 23 -8.322 3.701 -10.767 164 HB3 ALA 23 3HB ALA 23 -9.007 2.069 -10.633 165 H SER 24 H SER 24 -9.391 5.402 -9.263 166 HA SER 24 HA SER 24 -9.835 4.275 -6.662 167 HB2 SER 24 1HB SER 24 -8.038 5.861 -7.318 168 HB3 SER 24 2HB SER 24 -9.246 7.156 -7.417 169 HG SER 24 HG SER 24 -8.182 7.093 -5.357 170 H ARG 25 H ARG 25 -11.547 6.984 -8.297 171 HA ARG 25 HA ARG 25 -13.374 7.440 -6.160 172 HB2 ARG 25 1HB ARG 25 -12.745 9.070 -7.881 173 HB3 ARG 25 2HB ARG 25 -13.600 8.144 -9.107 174 HG2 ARG 25 1HG ARG 25 -14.865 10.110 -8.327 175 HG3 ARG 25 2HG ARG 25 -15.741 8.605 -8.094 176 HD2 ARG 25 1HD ARG 25 -14.994 8.676 -5.638 177 HD3 ARG 25 2HD ARG 25 -14.304 10.262 -5.973 178 HE ARG 25 HE ARG 25 -16.431 11.179 -5.987 179 HH11 ARG 25 1HH1 ARG 25 -16.835 7.645 -6.147 180 HH12 ARG 25 2HH1 ARG 25 -18.535 7.753 -5.796 181 HH21 ARG 25 1HH2 ARG 25 -18.627 11.217 -5.572 182 HH22 ARG 25 2HH2 ARG 25 -19.536 9.737 -5.498 183 H GLY 26 H GLY 26 -13.523 5.240 -8.862 184 HA2 GLY 26 1HA GLY 26 -16.265 4.821 -9.155 185 HA3 GLY 26 2HA GLY 26 -15.022 3.612 -9.532 186 H ASN 27 H ASN 27 -14.141 3.228 -6.786 187 HA ASN 27 HA ASN 27 -16.601 2.167 -5.420 188 HB2 ASN 27 1HB ASN 27 -13.847 0.910 -5.651 189 HB3 ASN 27 2HB ASN 27 -15.007 0.439 -4.414 190 HD21 ASN 27 2HD2 ASN 27 -13.913 -1.260 -6.491 191 HD22 ASN 27 1HD2 ASN 27 -15.304 -1.836 -7.403 192 H GLY 28 H GLY 28 -13.326 3.614 -4.883 193 HA2 GLY 28 1HA GLY 28 -12.699 5.055 -3.164 194 HA3 GLY 28 2HA GLY 28 -14.282 4.844 -2.375 195 H GLU 29 H GLU 29 -12.878 1.884 -3.176 196 HA GLU 29 HA GLU 29 -12.115 1.158 -0.443 197 HB2 GLU 29 1HB GLU 29 -12.869 -0.208 -2.888 198 HB3 GLU 29 2HB GLU 29 -11.264 -0.727 -2.445 199 HG2 GLU 29 1HG GLU 29 -12.945 -2.199 -1.433 200 HG3 GLU 29 2HG GLU 29 -12.072 -1.331 -0.172 201 H TYR 30 H TYR 30 -9.939 -0.252 -0.447 202 HA TYR 30 HA TYR 30 -7.702 0.679 -1.979 203 HB2 TYR 30 1HB TYR 30 -6.504 1.904 -0.296 204 HB3 TYR 30 2HB TYR 30 -8.038 2.699 -0.578 205 HD1 TYR 30 2HD TYR 30 -9.997 2.102 1.056 206 HD2 TYR 30 1HD TYR 30 -5.871 1.166 1.867 207 HE1 TYR 30 2HE TYR 30 -10.525 1.899 3.491 208 HE2 TYR 30 1HE TYR 30 -6.394 0.921 4.295 209 HH TYR 30 HH TYR 30 -9.701 1.441 5.592 210 H ALA 31 H ALA 31 -5.823 -0.436 -1.579 211 HA ALA 31 HA ALA 31 -5.540 -2.249 0.719 212 HB1 ALA 31 1HB ALA 31 -6.732 -3.768 -0.635 213 HB2 ALA 31 2HB ALA 31 -5.995 -3.187 -2.139 214 HB3 ALA 31 3HB ALA 31 -5.052 -4.163 -0.982 215 H TRP 32 H TRP 32 -3.456 -3.123 0.919 216 HA TRP 32 HA TRP 32 -1.286 -1.780 -0.645 217 HB2 TRP 32 1HB TRP 32 -1.423 -2.591 2.275 218 HB3 TRP 32 2HB TRP 32 0.088 -2.311 1.437 219 HD1 TRP 32 HD TRP 32 -3.142 -0.282 2.126 220 HE1 TRP 32 1HE TRP 32 -2.528 2.197 2.299 221 HE3 TRP 32 3HE TRP 32 1.880 -0.637 1.121 222 HZ2 TRP 32 2HZ TRP 32 -0.073 3.781 2.369 223 HZ3 TRP 32 3HZ TRP 32 3.299 1.412 1.208 224 HH2 TRP 32 HH TRP 32 2.337 3.559 1.852 225 H TYR 33 H TYR 33 0.421 -3.001 -1.312 226 HA TYR 33 HA TYR 33 0.308 -5.959 -0.989 227 HB2 TYR 33 1HB TYR 33 0.464 -4.419 -3.605 228 HB3 TYR 33 2HB TYR 33 0.810 -6.128 -3.451 229 HD1 TYR 33 1HD TYR 33 -1.925 -3.589 -3.086 230 HD2 TYR 33 2HD TYR 33 -0.899 -7.744 -3.607 231 HE1 TYR 33 1HE TYR 33 -4.315 -4.128 -3.483 232 HE2 TYR 33 2HE TYR 33 -3.292 -8.286 -4.002 233 HH TYR 33 HH TYR 33 -5.856 -5.775 -3.945 234 H TYR 34 H TYR 34 2.256 -7.061 -1.497 235 HA TYR 34 HA TYR 34 4.729 -5.470 -1.899 236 HB2 TYR 34 1HB TYR 34 5.887 -6.581 -0.135 237 HB3 TYR 34 2HB TYR 34 4.463 -5.815 0.535 238 HD1 TYR 34 1HD TYR 34 2.446 -7.242 1.167 239 HD2 TYR 34 2HD TYR 34 6.248 -8.947 0.052 240 HE1 TYR 34 1HE TYR 34 1.783 -9.395 2.215 241 HE2 TYR 34 2HE TYR 34 5.593 -11.100 1.099 242 HH TYR 34 HH TYR 34 3.955 -12.258 2.234 243 H GLU 35 H GLU 35 6.500 -6.736 -2.835 244 HA GLU 35 HA GLU 35 5.527 -8.940 -4.522 245 HB2 GLU 35 1HB GLU 35 8.280 -7.669 -4.312 246 HB3 GLU 35 2HB GLU 35 7.850 -9.009 -5.384 247 HG2 GLU 35 1HG GLU 35 5.945 -7.457 -6.247 248 HG3 GLU 35 2HG GLU 35 6.868 -6.155 -5.485 249 H GLY 36 H GLY 36 5.412 -10.937 -3.932 250 HA2 GLY 36 1HA GLY 36 7.366 -12.184 -2.013 251 HA3 GLY 36 2HA GLY 36 5.740 -12.778 -2.367 252 H ARG 37 H ARG 37 6.557 -14.814 -2.883 253 HA ARG 37 HA ARG 37 8.726 -15.318 -4.639 254 HB2 ARG 37 1HB ARG 37 6.416 -17.196 -3.979 255 HB3 ARG 37 2HB ARG 37 8.019 -17.659 -4.540 256 HG2 ARG 37 1HG ARG 37 7.349 -16.378 -1.855 257 HG3 ARG 37 2HG ARG 37 7.740 -18.072 -2.137 258 HD2 ARG 37 1HD ARG 37 10.016 -17.539 -2.763 259 HD3 ARG 37 2HD ARG 37 9.657 -15.800 -2.766 260 HE ARG 37 HE ARG 37 9.085 -16.993 -0.201 261 HH11 ARG 37 1HH1 ARG 37 11.787 -15.807 -2.145 262 HH12 ARG 37 2HH1 ARG 37 12.665 -15.220 -0.753 263 HH21 ARG 37 1HH2 ARG 37 10.256 -16.193 1.558 264 HH22 ARG 37 2HH2 ARG 37 11.786 -15.417 1.317 265 H ASN 38 H ASN 38 5.271 -15.223 -5.330 266 HA ASN 38 HA ASN 38 5.773 -15.845 -8.212 267 HB2 ASN 38 1HB ASN 38 3.368 -16.350 -6.436 268 HB3 ASN 38 2HB ASN 38 3.411 -16.686 -8.165 269 HD21 ASN 38 2HD2 ASN 38 3.373 -18.382 -5.469 270 HD22 ASN 38 1HD2 ASN 38 4.541 -19.634 -5.847 271 H GLY 39 H GLY 39 4.908 -13.177 -6.333 272 HA2 GLY 39 1HA GLY 39 4.694 -11.253 -8.219 273 HA3 GLY 39 2HA GLY 39 3.066 -11.913 -8.259 274 H TRP 40 H TRP 40 2.421 -9.745 -7.598 275 HA TRP 40 HA TRP 40 2.991 -8.699 -4.971 276 HB2 TRP 40 1HB TRP 40 0.693 -8.176 -6.895 277 HB3 TRP 40 2HB TRP 40 1.067 -7.220 -5.473 278 HD1 TRP 40 HD TRP 40 1.967 -7.635 -9.071 279 HE1 TRP 40 1HE TRP 40 3.729 -5.928 -9.786 280 HE3 TRP 40 3HE TRP 40 3.257 -5.834 -4.454 281 HZ2 TRP 40 2HZ TRP 40 5.409 -3.932 -8.526 282 HZ3 TRP 40 3HZ TRP 40 4.941 -4.028 -4.248 283 HH2 TRP 40 HH TRP 40 6.010 -3.053 -6.269 284 H TRP 41 H TRP 41 2.109 -9.182 -3.054 285 HA TRP 41 HA TRP 41 -0.510 -10.614 -2.898 286 HB2 TRP 41 1HB TRP 41 1.985 -11.171 -1.249 287 HB3 TRP 41 2HB TRP 41 0.401 -11.916 -1.013 288 HD1 TRP 41 HD TRP 41 3.550 -12.667 -2.566 289 HE1 TRP 41 1HE TRP 41 3.387 -14.344 -4.503 290 HE3 TRP 41 3HE TRP 41 -1.524 -12.650 -3.233 291 HZ2 TRP 41 2HZ TRP 41 1.353 -15.307 -6.308 292 HZ3 TRP 41 3HZ TRP 41 -2.542 -13.897 -5.093 293 HH2 TRP 41 HH TRP 41 -1.124 -15.235 -6.653 294 H GLN 42 H GLN 42 -1.832 -10.106 -1.164 295 HA GLN 42 HA GLN 42 -1.600 -7.300 -0.467 296 HB2 GLN 42 1HB GLN 42 -3.664 -8.596 -1.317 297 HB3 GLN 42 2HB GLN 42 -3.819 -9.208 0.334 298 HG2 GLN 42 1HG GLN 42 -3.902 -6.797 1.121 299 HG3 GLN 42 2HG GLN 42 -3.885 -6.288 -0.567 300 HE21 GLN 42 2HE2 GLN 42 -5.997 -5.947 1.595 301 HE22 GLN 42 1HE2 GLN 42 -7.440 -6.639 0.872 302 H TYR 43 H TYR 43 -1.448 -6.342 1.522 303 HA TYR 43 HA TYR 43 -0.418 -7.791 3.834 304 HB2 TYR 43 1HB TYR 43 -1.291 -4.954 3.251 305 HB3 TYR 43 2HB TYR 43 -0.941 -5.455 4.895 306 HD1 TYR 43 2HD TYR 43 1.328 -6.120 5.601 307 HD2 TYR 43 1HD TYR 43 0.515 -4.652 1.639 308 HE1 TYR 43 2HE TYR 43 3.744 -5.635 5.283 309 HE2 TYR 43 1HE TYR 43 2.919 -4.127 1.321 310 HH TYR 43 HH TYR 43 5.016 -4.257 2.226 311 H ASP 44 H ASP 44 -1.398 -7.762 5.953 312 HA ASP 44 HA ASP 44 -4.182 -8.581 6.073 313 HB2 ASP 44 1HB ASP 44 -2.480 -9.487 7.569 314 HB3 ASP 44 2HB ASP 44 -2.153 -7.884 8.235 315 H GLU 45 H GLU 45 -5.889 -7.497 7.232 316 HA GLU 45 HA GLU 45 -6.172 -4.754 6.377 317 HB2 GLU 45 1HB GLU 45 -8.418 -4.969 7.485 318 HB3 GLU 45 2HB GLU 45 -8.078 -6.168 6.238 319 HG2 GLU 45 1HG GLU 45 -7.706 -7.908 7.862 320 HG3 GLU 45 2HG GLU 45 -7.657 -6.755 9.192 321 H ARG 46 H ARG 46 -5.040 -6.146 9.364 322 HA ARG 46 HA ARG 46 -5.459 -3.607 10.847 323 HB2 ARG 46 1HB ARG 46 -4.046 -6.072 11.862 324 HB3 ARG 46 2HB ARG 46 -4.785 -4.768 12.781 325 HG2 ARG 46 1HG ARG 46 -6.179 -7.032 11.318 326 HG3 ARG 46 2HG ARG 46 -6.230 -6.633 13.029 327 HD2 ARG 46 1HD ARG 46 -7.515 -4.536 12.453 328 HD3 ARG 46 2HD ARG 46 -7.458 -5.024 10.751 329 HE ARG 46 HE ARG 46 -9.148 -6.481 11.038 330 HH11 ARG 46 1HH1 ARG 46 -8.031 -5.753 14.330 331 HH12 ARG 46 2HH1 ARG 46 -9.378 -6.593 15.042 332 HH21 ARG 46 1HH2 ARG 46 -10.774 -7.508 11.978 333 HH22 ARG 46 2HH2 ARG 46 -10.932 -7.597 13.714 334 H THR 47 H THR 47 -3.104 -5.062 8.842 335 HA THR 47 HA THR 47 -0.872 -3.452 9.942 336 HB THR 47 HB THR 47 -0.871 -5.549 7.735 337 HG1 THR 47 1HG THR 47 0.145 -6.742 9.422 338 HG21 THR 47 3HG2 THR 47 1.622 -5.470 8.175 339 HG22 THR 47 1HG2 THR 47 0.979 -3.992 7.419 340 HG23 THR 47 2HG2 THR 47 1.340 -4.001 9.152 341 H SER 48 H SER 48 -2.575 -3.925 6.779 342 HA SER 48 HA SER 48 -1.228 -1.881 5.356 343 HB2 SER 48 1HB SER 48 -3.118 -1.979 3.816 344 HB3 SER 48 2HB SER 48 -2.614 -3.605 4.308 345 HG SER 48 HG SER 48 -4.908 -3.361 4.362 346 H ARG 49 H ARG 49 -3.999 -1.639 7.540 347 HA ARG 49 HA ARG 49 -4.752 1.017 6.921 348 HB2 ARG 49 1HB ARG 49 -6.080 0.945 8.870 349 HB3 ARG 49 2HB ARG 49 -6.072 -0.662 8.172 350 HG2 ARG 49 1HG ARG 49 -5.823 -1.156 10.412 351 HG3 ARG 49 2HG ARG 49 -4.169 -1.214 9.841 352 HD2 ARG 49 1HD ARG 49 -4.398 -0.101 12.063 353 HD3 ARG 49 2HD ARG 49 -3.678 0.921 10.861 354 HE ARG 49 HE ARG 49 -6.600 1.176 11.293 355 HH11 ARG 49 1HH1 ARG 49 -3.425 2.629 11.990 356 HH12 ARG 49 2HH1 ARG 49 -4.078 4.255 11.759 357 HH21 ARG 49 1HH2 ARG 49 -7.313 3.352 11.179 358 HH22 ARG 49 2HH2 ARG 49 -6.125 4.626 11.365 359 H GLU 50 H GLU 50 -1.980 -0.149 8.757 360 HA GLU 50 HA GLU 50 -1.523 2.397 10.145 361 HB2 GLU 50 1HB GLU 50 0.375 0.068 9.622 362 HB3 GLU 50 2HB GLU 50 0.678 1.404 10.718 363 HG2 GLU 50 1HG GLU 50 -1.671 -0.509 11.082 364 HG3 GLU 50 2HG GLU 50 -0.071 -0.802 11.745 365 H LEU 51 H LEU 51 -0.498 0.823 7.170 366 HA LEU 51 HA LEU 51 1.537 2.712 6.366 367 HB2 LEU 51 1HB LEU 51 -0.061 0.812 4.612 368 HB3 LEU 51 2HB LEU 51 1.565 1.426 4.341 369 HG LEU 51 HG LEU 51 0.723 -0.587 6.476 370 HD11 LEU 51 1HD1 LEU 51 0.683 -1.464 4.180 371 HD12 LEU 51 2HD1 LEU 51 2.381 -0.973 3.962 372 HD13 LEU 51 3HD1 LEU 51 1.947 -2.211 5.167 373 HD21 LEU 51 3HD2 LEU 51 3.189 -0.847 6.840 374 HD22 LEU 51 1HD2 LEU 51 3.443 0.579 5.806 375 HD23 LEU 51 2HD2 LEU 51 2.570 0.726 7.347 376 H GLU 52 H GLU 52 -1.861 2.177 5.477 377 HA GLU 52 HA GLU 52 -2.250 4.376 3.777 378 HB2 GLU 52 1HB GLU 52 -3.766 2.349 4.235 379 HB3 GLU 52 2HB GLU 52 -4.283 3.180 5.693 380 HG2 GLU 52 1HG GLU 52 -5.935 3.615 4.071 381 HG3 GLU 52 2HG GLU 52 -5.051 5.113 4.232 382 H ASP 53 H ASP 53 -2.167 4.313 7.350 383 HA ASP 53 HA ASP 53 -3.364 6.991 7.589 384 HB2 ASP 53 1HB ASP 53 -2.483 4.818 9.463 385 HB3 ASP 53 2HB ASP 53 -2.307 6.454 10.039 386 H ALA 54 H ALA 54 -0.150 5.611 7.362 387 HA ALA 54 HA ALA 54 1.305 7.667 8.650 388 HB1 ALA 54 1HB ALA 54 2.171 5.473 8.244 389 HB2 ALA 54 2HB ALA 54 2.054 5.675 6.485 390 HB3 ALA 54 3HB ALA 54 3.229 6.640 7.410 391 H PHE 55 H PHE 55 0.628 7.384 5.102 392 HA PHE 55 HA PHE 55 1.872 9.940 4.543 393 HB2 PHE 55 1HB PHE 55 1.141 9.696 2.348 394 HB3 PHE 55 2HB PHE 55 1.570 8.094 2.892 395 HD1 PHE 55 1HD PHE 55 -1.249 10.360 2.099 396 HD2 PHE 55 2HD PHE 55 -0.086 6.285 2.923 397 HE1 PHE 55 1HE PHE 55 -3.419 9.555 1.184 398 HE2 PHE 55 2HE PHE 55 -2.213 5.495 1.937 399 HZ PHE 55 HZ PHE 55 -3.893 7.112 1.090 400 H SER 56 H SER 56 -1.190 9.040 5.772 401 HA SER 56 HA SER 56 -2.565 11.586 5.231 402 HB2 SER 56 1HB SER 56 -3.604 9.244 5.471 403 HB3 SER 56 2HB SER 56 -3.384 9.449 7.210 404 HG SER 56 HG SER 56 -5.473 10.148 6.477 405 H LYS 57 H LYS 57 -0.620 10.219 7.874 406 HA LYS 57 HA LYS 57 -1.122 12.395 9.767 407 HB2 LYS 57 1HB LYS 57 0.906 10.148 9.543 408 HB3 LYS 57 2HB LYS 57 0.967 11.345 10.837 409 HG2 LYS 57 1HG LYS 57 -0.971 10.580 11.876 410 HG3 LYS 57 2HG LYS 57 -1.621 9.850 10.407 411 HD2 LYS 57 1HD LYS 57 -0.857 8.104 11.981 412 HD3 LYS 57 2HD LYS 57 0.006 8.076 10.457 413 HE2 LYS 57 1HE LYS 57 1.831 7.870 11.777 414 HE3 LYS 57 2HE LYS 57 1.763 9.620 11.757 415 HZ1 LYS 57 3HZ LYS 57 1.973 8.821 14.030 416 HZ2 LYS 57 1HZ LYS 57 0.523 9.553 13.865 417 HZ3 LYS 57 2HZ LYS 57 0.618 7.920 13.907 418 H GLY 58 H GLY 58 1.400 11.637 7.360 419 HA2 GLY 58 1HA GLY 58 2.278 13.581 6.089 420 HA3 GLY 58 2HA GLY 58 2.527 14.416 7.637 421 H LYS 59 H LYS 59 3.328 11.271 8.354 422 HA LYS 59 HA LYS 59 6.162 11.738 8.087 423 HB2 LYS 59 1HB LYS 59 6.321 9.316 8.849 424 HB3 LYS 59 2HB LYS 59 5.549 10.442 9.962 425 HG2 LYS 59 1HG LYS 59 3.375 9.632 9.515 426 HG3 LYS 59 2HG LYS 59 3.922 8.774 8.069 427 HD2 LYS 59 1HD LYS 59 3.389 7.292 9.973 428 HD3 LYS 59 2HD LYS 59 4.986 7.087 9.329 429 HE2 LYS 59 1HE LYS 59 4.490 8.759 11.827 430 HE3 LYS 59 2HE LYS 59 4.634 6.999 11.882 431 HZ1 LYS 59 3HZ LYS 59 6.771 7.847 12.299 432 HZ2 LYS 59 1HZ LYS 59 6.844 7.277 10.761 433 HZ3 LYS 59 2HZ LYS 59 6.749 8.885 11.046 434 H LYS 60 H LYS 60 7.682 10.465 6.940 435 HA LYS 60 HA LYS 60 6.769 9.637 4.214 436 HB2 LYS 60 1HB LYS 60 8.844 10.214 3.407 437 HB3 LYS 60 2HB LYS 60 8.449 11.493 4.550 438 HG2 LYS 60 1HG LYS 60 9.957 10.355 6.227 439 HG3 LYS 60 2HG LYS 60 10.395 9.195 4.952 440 HD2 LYS 60 1HD LYS 60 11.051 11.201 3.531 441 HD3 LYS 60 2HD LYS 60 10.912 12.197 4.981 442 HE2 LYS 60 1HE LYS 60 12.711 11.079 6.070 443 HE3 LYS 60 2HE LYS 60 12.582 9.661 5.016 444 HZ1 LYS 60 3HZ LYS 60 14.487 11.024 4.416 445 HZ2 LYS 60 1HZ LYS 60 13.408 10.934 3.185 446 HZ3 LYS 60 2HZ LYS 60 13.524 12.309 4.087 447 H ASN 61 H ASN 61 7.379 8.094 7.063 448 HA ASN 61 HA ASN 61 7.427 5.521 5.881 449 HB2 ASN 61 1HB ASN 61 9.564 4.652 6.691 450 HB3 ASN 61 2HB ASN 61 9.854 5.961 5.559 451 HD21 ASN 61 2HD2 ASN 61 10.372 8.074 6.450 452 HD22 ASN 61 1HD2 ASN 61 11.218 8.201 7.985 453 H THR 62 H THR 62 7.196 3.858 7.405 454 HA THR 62 HA THR 62 6.551 4.541 10.224 455 HB THR 62 HB THR 62 4.564 5.091 8.786 456 HG1 THR 62 1HG THR 62 3.201 4.045 10.310 457 HG21 THR 62 3HG2 THR 62 3.114 3.242 8.073 458 HG22 THR 62 1HG2 THR 62 4.652 3.178 7.199 459 HG23 THR 62 2HG2 THR 62 4.339 2.048 8.535 460 H GLU 63 H GLU 63 5.513 2.411 11.222 461 HA GLU 63 HA GLU 63 7.412 0.178 10.602 462 HB2 GLU 63 1HB GLU 63 6.681 1.505 13.242 463 HB3 GLU 63 2HB GLU 63 7.489 -0.061 13.128 464 HG2 GLU 63 1HG GLU 63 9.376 0.931 11.946 465 HG3 GLU 63 2HG GLU 63 8.574 2.499 11.886 466 H MET 64 H MET 64 6.765 -1.851 10.938 467 HA MET 64 HA MET 64 4.105 -2.522 12.037 468 HB2 MET 64 1HB MET 64 3.549 -3.794 9.940 469 HB3 MET 64 2HB MET 64 3.481 -2.040 9.780 470 HG2 MET 64 1HG MET 64 5.607 -1.983 8.627 471 HG3 MET 64 2HG MET 64 5.919 -3.678 8.996 472 HE1 MET 64 3HE MET 64 5.754 -3.789 5.218 473 HE2 MET 64 1HE MET 64 6.714 -3.128 6.552 474 HE3 MET 64 2HE MET 64 6.241 -4.849 6.546 475 H LEU 65 H LEU 65 3.793 -4.680 12.500 476 HA LEU 65 HA LEU 65 6.239 -6.338 12.752 477 HB2 LEU 65 1HB LEU 65 4.403 -5.480 14.683 478 HB3 LEU 65 2HB LEU 65 3.772 -7.052 14.276 479 HG LEU 65 HG LEU 65 5.192 -7.152 16.207 480 HD11 LEU 65 1HD1 LEU 65 5.247 -9.129 14.729 481 HD12 LEU 65 2HD1 LEU 65 6.720 -8.490 13.959 482 HD13 LEU 65 3HD1 LEU 65 6.734 -8.923 15.670 483 HD21 LEU 65 3HD2 LEU 65 7.526 -6.536 16.230 484 HD22 LEU 65 1HD2 LEU 65 7.503 -6.176 14.494 485 HD23 LEU 65 2HD2 LEU 65 6.568 -5.166 15.618 486 H ILE 66 H ILE 66 6.240 -8.402 12.124 487 HA ILE 66 HA ILE 66 3.931 -9.455 10.494 488 HB ILE 66 HB ILE 66 5.408 -10.335 8.865 489 HG12 ILE 66 1HG1 ILE 66 7.845 -8.854 9.438 490 HG13 ILE 66 2HG1 ILE 66 7.494 -9.895 10.795 491 HG21 ILE 66 1HG2 ILE 66 4.410 -8.066 8.664 492 HG22 ILE 66 2HG2 ILE 66 5.940 -7.370 9.230 493 HG23 ILE 66 3HG2 ILE 66 5.880 -8.317 7.723 494 HD11 ILE 66 3HD1 ILE 66 8.941 -10.878 8.916 495 HD12 ILE 66 1HD1 ILE 66 7.615 -11.879 9.521 496 HD13 ILE 66 2HD1 ILE 66 7.446 -11.013 7.988 497 H ALA 67 H ALA 67 5.378 -11.939 9.889 498 HA ALA 67 HA ALA 67 4.476 -13.605 11.951 499 HB1 ALA 67 1HB ALA 67 4.873 -14.237 9.571 500 HB2 ALA 67 2HB ALA 67 6.630 -14.069 9.830 501 HB3 ALA 67 3HB ALA 67 5.719 -15.335 10.679 502 H GLY 68 H GLY 68 7.449 -11.817 11.946 503 HA2 GLY 68 1HA GLY 68 8.159 -12.632 14.581 504 HA3 GLY 68 2HA GLY 68 9.146 -13.534 13.451 505 H PHE 69 H PHE 69 8.339 -10.253 12.468 506 HA PHE 69 HA PHE 69 10.956 -9.181 13.326 507 HB2 PHE 69 1HB PHE 69 10.183 -9.586 10.403 508 HB3 PHE 69 2HB PHE 69 11.551 -8.657 10.959 509 HD1 PHE 69 2HD PHE 69 13.520 -9.752 12.017 510 HD2 PHE 69 1HD PHE 69 10.290 -12.050 10.311 511 HE1 PHE 69 2HE PHE 69 14.989 -11.750 11.912 512 HE2 PHE 69 1HE PHE 69 11.761 -14.039 10.208 513 HZ PHE 69 HZ PHE 69 14.114 -13.895 11.005 514 H LEU 70 H LEU 70 11.203 -6.958 12.987 515 HA LEU 70 HA LEU 70 8.726 -5.373 12.549 516 HB2 LEU 70 1HB LEU 70 10.354 -5.066 14.560 517 HB3 LEU 70 2HB LEU 70 11.481 -4.413 13.383 518 HG LEU 70 HG LEU 70 10.467 -2.629 14.547 519 HD11 LEU 70 1HD1 LEU 70 10.759 -2.338 12.029 520 HD12 LEU 70 2HD1 LEU 70 8.987 -2.519 11.922 521 HD13 LEU 70 3HD1 LEU 70 9.689 -1.206 12.866 522 HD21 LEU 70 3HD2 LEU 70 8.033 -2.185 14.574 523 HD22 LEU 70 1HD2 LEU 70 7.742 -3.737 13.762 524 HD23 LEU 70 2HD2 LEU 70 8.460 -3.698 15.387 525 H TYR 71 H TYR 71 8.401 -4.519 10.636 526 HA TYR 71 HA TYR 71 10.683 -3.978 8.774 527 HB2 TYR 71 1HB TYR 71 7.850 -4.767 8.122 528 HB3 TYR 71 2HB TYR 71 8.956 -4.074 6.938 529 HD1 TYR 71 2HD TYR 71 11.521 -5.466 7.460 530 HD2 TYR 71 1HD TYR 71 7.484 -6.964 7.321 531 HE1 TYR 71 2HE TYR 71 12.366 -7.743 6.960 532 HE2 TYR 71 1HE TYR 71 8.319 -9.238 7.000 533 HH TYR 71 HH TYR 71 10.242 -10.593 6.718 534 H VAL 72 H VAL 72 11.052 -2.016 8.235 535 HA VAL 72 HA VAL 72 9.274 0.227 8.957 536 HB VAL 72 HB VAL 72 11.993 0.255 7.582 537 HG11 VAL 72 1HG1 VAL 72 10.660 2.290 7.113 538 HG12 VAL 72 2HG1 VAL 72 10.378 2.514 8.854 539 HG13 VAL 72 3HG1 VAL 72 12.016 2.658 8.183 540 HG21 VAL 72 3HG2 VAL 72 12.894 1.024 9.755 541 HG22 VAL 72 1HG2 VAL 72 11.316 0.710 10.512 542 HG23 VAL 72 2HG2 VAL 72 12.272 -0.628 9.829 543 H ALA 73 H ALA 73 7.822 0.888 7.467 544 HA ALA 73 HA ALA 73 8.077 0.088 4.592 545 HB1 ALA 73 1HB ALA 73 6.036 -0.672 5.729 546 HB2 ALA 73 2HB ALA 73 5.692 0.995 6.246 547 HB3 ALA 73 3HB ALA 73 5.653 0.571 4.518 548 H ASP 74 H ASP 74 8.816 1.585 3.278 549 HA ASP 74 HA ASP 74 8.944 4.437 4.095 550 HB2 ASP 74 1HB ASP 74 11.057 3.324 3.660 551 HB3 ASP 74 2HB ASP 74 10.492 2.763 2.086 552 H LEU 75 H LEU 75 7.573 5.834 3.239 553 HA LEU 75 HA LEU 75 5.874 5.210 0.948 554 HB2 LEU 75 1HB LEU 75 6.205 7.627 2.775 555 HB3 LEU 75 2HB LEU 75 5.098 7.621 1.429 556 HG LEU 75 HG LEU 75 4.855 5.424 3.513 557 HD11 LEU 75 1HD1 LEU 75 4.845 7.454 4.851 558 HD12 LEU 75 2HD1 LEU 75 3.748 8.260 3.710 559 HD13 LEU 75 3HD1 LEU 75 3.179 6.882 4.672 560 HD21 LEU 75 3HD2 LEU 75 2.496 5.559 2.770 561 HD22 LEU 75 1HD2 LEU 75 2.938 6.822 1.603 562 HD23 LEU 75 2HD2 LEU 75 3.625 5.196 1.438 563 H GLU 76 H GLU 76 8.939 6.853 1.344 564 HA GLU 76 HA GLU 76 8.713 8.676 -0.857 565 HB2 GLU 76 1HB GLU 76 11.212 7.383 0.314 566 HB3 GLU 76 2HB GLU 76 11.162 8.714 -0.823 567 HG2 GLU 76 1HG GLU 76 9.599 9.714 1.192 568 HG3 GLU 76 2HG GLU 76 10.608 8.637 2.122 569 H ASN 77 H ASN 77 10.389 5.526 -0.657 570 HA ASN 77 HA ASN 77 10.627 5.362 -3.610 571 HB2 ASN 77 1HB ASN 77 11.889 3.721 -1.369 572 HB3 ASN 77 2HB ASN 77 12.305 3.639 -3.077 573 HD21 ASN 77 2HD2 ASN 77 12.398 5.788 -0.181 574 HD22 ASN 77 1HD2 ASN 77 13.778 6.712 -0.770 575 H MET 78 H MET 78 8.590 4.224 -1.191 576 HA MET 78 HA MET 78 7.084 2.531 -0.898 577 HB2 MET 78 1HB MET 78 7.093 2.294 -3.906 578 HB3 MET 78 2HB MET 78 5.880 1.666 -2.782 579 HG2 MET 78 1HG MET 78 6.259 4.505 -2.307 580 HG3 MET 78 2HG MET 78 6.043 4.215 -4.033 581 HE1 MET 78 3HE MET 78 3.000 3.412 -0.675 582 HE2 MET 78 1HE MET 78 4.577 2.593 -0.730 583 HE3 MET 78 2HE MET 78 4.497 4.361 -0.545 584 H VAL 79 H VAL 79 9.003 1.593 0.121 585 HA VAL 79 HA VAL 79 9.246 -1.225 -0.732 586 HB VAL 79 HB VAL 79 11.665 -1.349 -0.124 587 HG11 VAL 79 1HG1 VAL 79 11.036 -1.264 -2.487 588 HG12 VAL 79 2HG1 VAL 79 11.154 0.513 -2.466 589 HG13 VAL 79 3HG1 VAL 79 12.594 -0.487 -2.184 590 HG21 VAL 79 3HG2 VAL 79 13.059 0.633 -0.021 591 HG22 VAL 79 1HG2 VAL 79 11.637 1.689 -0.162 592 HG23 VAL 79 2HG2 VAL 79 11.858 0.652 1.267 593 H GLN 80 H GLN 80 10.119 -2.600 1.020 594 HA GLN 80 HA GLN 80 9.726 -1.522 3.775 595 HB2 GLN 80 1HB GLN 80 8.952 -3.775 4.437 596 HB3 GLN 80 2HB GLN 80 7.851 -3.011 3.287 597 HG2 GLN 80 1HG GLN 80 8.642 -4.373 1.463 598 HG3 GLN 80 2HG GLN 80 10.023 -4.955 2.391 599 HE21 GLN 80 2HE2 GLN 80 9.341 -6.160 4.559 600 HE22 GLN 80 1HE2 GLN 80 8.200 -7.430 4.155 601 H TYR 81 H TYR 81 11.240 -2.226 5.335 602 HA TYR 81 HA TYR 81 13.214 -4.294 4.808 603 HB2 TYR 81 1HB TYR 81 15.177 -2.711 5.089 604 HB3 TYR 81 2HB TYR 81 14.377 -2.753 3.548 605 HD1 TYR 81 2HD TYR 81 14.352 -0.739 6.751 606 HD2 TYR 81 1HD TYR 81 13.831 -0.780 2.472 607 HE1 TYR 81 2HE TYR 81 14.182 1.731 6.753 608 HE2 TYR 81 1HE TYR 81 13.734 1.681 2.443 609 HH TYR 81 HH TYR 81 13.949 3.638 5.467 610 H ARG 82 H ARG 82 14.771 -4.575 6.658 611 HA ARG 82 HA ARG 82 13.414 -4.204 9.233 612 HB2 ARG 82 1HB ARG 82 15.948 -5.560 8.299 613 HB3 ARG 82 2HB ARG 82 15.758 -5.179 10.014 614 HG2 ARG 82 1HG ARG 82 13.648 -6.402 10.126 615 HG3 ARG 82 2HG ARG 82 13.756 -6.800 8.408 616 HD2 ARG 82 1HD ARG 82 15.846 -7.605 10.479 617 HD3 ARG 82 2HD ARG 82 14.476 -8.619 10.042 618 HE ARG 82 HE ARG 82 16.861 -8.046 8.384 619 HH11 ARG 82 1HH1 ARG 82 13.595 -9.560 8.328 620 HH12 ARG 82 2HH1 ARG 82 14.051 -10.404 6.845 621 HH21 ARG 82 1HH2 ARG 82 17.201 -9.177 6.598 622 HH22 ARG 82 2HH2 ARG 82 15.907 -10.243 5.950 623 H ARG 83 H ARG 83 14.106 -2.990 11.002 624 HA ARG 83 HA ARG 83 15.220 -0.415 10.597 625 HB2 ARG 83 1HB ARG 83 14.877 -2.141 13.079 626 HB3 ARG 83 2HB ARG 83 15.606 -0.534 13.154 627 HG2 ARG 83 1HG ARG 83 13.604 0.464 12.122 628 HG3 ARG 83 2HG ARG 83 12.815 -1.123 12.095 629 HD2 ARG 83 1HD ARG 83 12.291 -1.078 14.277 630 HD3 ARG 83 2HD ARG 83 13.857 -0.447 14.778 631 HE ARG 83 HE ARG 83 11.401 1.004 14.390 632 HH11 ARG 83 1HH1 ARG 83 14.919 1.496 14.325 633 HH12 ARG 83 2HH1 ARG 83 14.758 3.209 14.567 634 HH21 ARG 83 1HH2 ARG 83 11.272 3.195 14.566 635 HH22 ARG 83 2HH2 ARG 83 12.721 4.158 14.739 636 H ASN 84 H ASN 84 16.923 -3.441 11.185 637 HA ASN 84 HA ASN 84 19.450 -2.130 11.850 638 HB2 ASN 84 1HB ASN 84 18.541 -4.229 12.907 639 HB3 ASN 84 2HB ASN 84 18.861 -5.068 11.387 640 HD21 ASN 84 2HD2 ASN 84 20.862 -6.079 11.326 641 HD22 ASN 84 1HD2 ASN 84 22.248 -5.590 12.286 642 H GLU 85 H GLU 85 18.006 -2.866 8.794 643 HA GLU 85 HA GLU 85 20.534 -2.495 7.402 644 HB2 GLU 85 1HB GLU 85 20.525 -4.602 6.175 645 HB3 GLU 85 2HB GLU 85 20.788 -4.836 7.903 646 HG2 GLU 85 1HG GLU 85 18.355 -5.458 8.134 647 HG3 GLU 85 2HG GLU 85 18.211 -5.370 6.375 648 H HIS 86 H HIS 86 20.168 -1.249 5.751 649 HA HIS 86 HA HIS 86 17.524 -1.070 4.434 650 HB2 HIS 86 1HB HIS 86 18.492 0.898 3.384 651 HB3 HIS 86 2HB HIS 86 18.735 0.951 5.131 652 HD2 HIS 86 2HD HIS 86 20.634 0.801 1.829 653 HE1 HIS 86 1HE HIS 86 23.620 0.797 4.862 654 HE2 HIS 86 2HE HIS 86 23.207 0.981 2.354 655 H GLY 87 H GLY 87 20.548 -2.603 3.911 656 HA2 GLY 87 1HA GLY 87 20.577 -2.798 1.030 657 HA3 GLY 87 2HA GLY 87 21.519 -3.787 2.169 658 H ARG 88 H ARG 88 18.811 -4.563 3.433 659 HA ARG 88 HA ARG 88 17.805 -6.468 1.353 660 HB2 ARG 88 1HB ARG 88 18.010 -6.706 4.371 661 HB3 ARG 88 2HB ARG 88 16.851 -7.662 3.462 662 HG2 ARG 88 1HG ARG 88 19.864 -7.670 2.992 663 HG3 ARG 88 2HG ARG 88 18.970 -8.878 3.916 664 HD2 ARG 88 1HD ARG 88 18.640 -8.325 0.930 665 HD3 ARG 88 2HD ARG 88 19.494 -9.667 1.660 666 HE ARG 88 HE ARG 88 16.651 -9.368 2.419 667 HH11 ARG 88 1HH1 ARG 88 18.904 -11.214 0.313 668 HH12 ARG 88 2HH1 ARG 88 17.664 -12.464 0.130 669 HH21 ARG 88 1HH2 ARG 88 15.235 -11.114 2.008 670 HH22 ARG 88 2HH2 ARG 88 15.854 -12.404 0.984 671 H ARG 89 H ARG 89 16.383 -5.259 0.379 672 HA ARG 89 HA ARG 89 13.969 -4.455 1.896 673 HB2 ARG 89 1HB ARG 89 13.729 -2.402 0.632 674 HB3 ARG 89 2HB ARG 89 15.231 -2.427 1.543 675 HG2 ARG 89 1HG ARG 89 16.420 -3.109 -0.604 676 HG3 ARG 89 2HG ARG 89 14.892 -2.752 -1.450 677 HD2 ARG 89 1HD ARG 89 14.959 -0.448 -0.619 678 HD3 ARG 89 2HD ARG 89 16.400 -0.810 0.331 679 HE ARG 89 HE ARG 89 16.204 -0.456 -2.603 680 HH11 ARG 89 1HH1 ARG 89 18.375 -1.257 0.096 681 HH12 ARG 89 2HH1 ARG 89 19.793 -1.013 -0.885 682 HH21 ARG 89 1HH2 ARG 89 18.077 -0.160 -3.774 683 HH22 ARG 89 2HH2 ARG 89 19.627 -0.400 -3.030 684 H ARG 90 H ARG 90 12.030 -4.545 0.853 685 HA ARG 90 HA ARG 90 11.901 -5.970 -1.791 686 HB2 ARG 90 1HB ARG 90 10.141 -6.442 0.652 687 HB3 ARG 90 2HB ARG 90 9.859 -7.116 -0.953 688 HG2 ARG 90 1HG ARG 90 11.995 -8.340 -0.846 689 HG3 ARG 90 2HG ARG 90 12.324 -7.660 0.759 690 HD2 ARG 90 1HD ARG 90 10.314 -8.745 1.671 691 HD3 ARG 90 2HD ARG 90 9.911 -9.400 0.082 692 HE ARG 90 HE ARG 90 12.125 -10.260 1.886 693 HH11 ARG 90 1HH1 ARG 90 10.643 -10.786 -1.321 694 HH12 ARG 90 2HH1 ARG 90 11.594 -12.231 -1.548 695 HH21 ARG 90 1HH2 ARG 90 13.153 -11.999 1.552 696 HH22 ARG 90 2HH2 ARG 90 13.076 -12.947 0.080 697 H LYS 91 H LYS 91 10.292 -5.316 -3.182 698 HA LYS 91 HA LYS 91 9.364 -2.597 -2.966 699 HB2 LYS 91 1HB LYS 91 9.246 -4.869 -4.908 700 HB3 LYS 91 2HB LYS 91 7.939 -3.730 -5.050 701 HG2 LYS 91 1HG LYS 91 10.900 -3.044 -5.207 702 HG3 LYS 91 2HG LYS 91 9.806 -3.234 -6.575 703 HD2 LYS 91 1HD LYS 91 9.725 -1.050 -4.466 704 HD3 LYS 91 2HD LYS 91 10.138 -0.882 -6.169 705 HE2 LYS 91 1HE LYS 91 7.856 -1.355 -6.856 706 HE3 LYS 91 2HE LYS 91 7.395 -1.790 -5.201 707 HZ1 LYS 91 3HZ LYS 91 6.691 0.421 -5.643 708 HZ2 LYS 91 1HZ LYS 91 7.872 0.458 -4.511 709 HZ3 LYS 91 2HZ LYS 91 8.208 0.915 -6.058 710 H ILE 92 H ILE 92 7.436 -1.693 -2.533 711 HA ILE 92 HA ILE 92 5.054 -3.423 -2.094 712 HB ILE 92 HB ILE 92 4.309 -2.250 -0.189 713 HG12 ILE 92 1HG1 ILE 92 6.660 -0.405 -0.560 714 HG13 ILE 92 2HG1 ILE 92 4.951 -0.017 -0.762 715 HG21 ILE 92 1HG2 ILE 92 6.010 -4.044 0.191 716 HG22 ILE 92 2HG2 ILE 92 7.257 -2.783 0.321 717 HG23 ILE 92 3HG2 ILE 92 5.922 -2.836 1.483 718 HD11 ILE 92 3HD1 ILE 92 5.708 0.935 1.297 719 HD12 ILE 92 1HD1 ILE 92 4.651 -0.440 1.710 720 HD13 ILE 92 2HD1 ILE 92 6.420 -0.589 1.837 721 H LYS 93 H LYS 93 3.009 -2.159 -2.190 722 HA LYS 93 HA LYS 93 3.028 0.403 -3.577 723 HB2 LYS 93 1HB LYS 93 1.882 -0.264 -5.578 724 HB3 LYS 93 2HB LYS 93 3.360 -1.211 -5.474 725 HG2 LYS 93 1HG LYS 93 2.134 -3.187 -4.773 726 HG3 LYS 93 2HG LYS 93 0.641 -2.266 -4.564 727 HD2 LYS 93 1HD LYS 93 0.538 -1.777 -6.955 728 HD3 LYS 93 2HD LYS 93 2.014 -2.731 -7.232 729 HE2 LYS 93 1HE LYS 93 0.947 -4.766 -6.547 730 HE3 LYS 93 2HE LYS 93 -0.419 -3.904 -5.822 731 HZ1 LYS 93 3HZ LYS 93 -0.936 -4.905 -8.004 732 HZ2 LYS 93 1HZ LYS 93 -1.216 -3.299 -7.959 733 HZ3 LYS 93 2HZ LYS 93 0.116 -3.887 -8.734 734 H ARG 94 H ARG 94 0.846 1.225 -4.013 735 HA ARG 94 HA ARG 94 -1.291 0.186 -2.186 736 HB2 ARG 94 1HB ARG 94 -0.843 2.945 -3.402 737 HB3 ARG 94 2HB ARG 94 -2.375 2.419 -2.687 738 HG2 ARG 94 1HG ARG 94 -1.228 1.949 -0.547 739 HG3 ARG 94 2HG ARG 94 0.292 2.548 -1.229 740 HD2 ARG 94 1HD ARG 94 -0.646 4.318 0.078 741 HD3 ARG 94 2HD ARG 94 -0.809 4.780 -1.605 742 HE ARG 94 HE ARG 94 -2.975 3.923 0.285 743 HH11 ARG 94 1HH1 ARG 94 -2.258 5.181 -2.968 744 HH12 ARG 94 2HH1 ARG 94 -3.911 5.656 -3.216 745 HH21 ARG 94 1HH2 ARG 94 -4.986 4.685 -0.049 746 HH22 ARG 94 2HH2 ARG 94 -5.453 5.335 -1.605 747 H ASP 95 H ASP 95 -3.347 -0.129 -3.060 748 HA ASP 95 HA ASP 95 -3.884 0.296 -5.911 749 HB2 ASP 95 1HB ASP 95 -2.843 -2.200 -5.172 750 HB3 ASP 95 2HB ASP 95 -4.594 -2.455 -5.139 751 H ILE 96 H ILE 96 -6.164 -0.885 -6.325 752 HA ILE 96 HA ILE 96 -8.071 -0.071 -4.168 753 HB ILE 96 HB ILE 96 -8.308 0.584 -7.120 754 HG12 ILE 96 1HG1 ILE 96 -6.606 2.019 -6.031 755 HG13 ILE 96 2HG1 ILE 96 -8.005 2.911 -6.588 756 HG21 ILE 96 1HG2 ILE 96 -10.529 0.259 -6.200 757 HG22 ILE 96 2HG2 ILE 96 -10.135 1.164 -4.722 758 HG23 ILE 96 3HG2 ILE 96 -10.299 2.003 -6.267 759 HD11 ILE 96 3HD1 ILE 96 -7.102 3.530 -4.270 760 HD12 ILE 96 1HD1 ILE 96 -8.848 3.212 -4.385 761 HD13 ILE 96 2HD1 ILE 96 -7.777 1.974 -3.717 762 H ILE 97 H ILE 97 -9.787 -1.320 -3.983 763 HA ILE 97 HA ILE 97 -9.832 -3.904 -5.451 764 HB ILE 97 HB ILE 97 -11.517 -2.921 -3.150 765 HG12 ILE 97 1HG1 ILE 97 -10.206 -5.015 -2.104 766 HG13 ILE 97 2HG1 ILE 97 -9.007 -4.588 -3.336 767 HG21 ILE 97 1HG2 ILE 97 -12.837 -4.446 -4.421 768 HG22 ILE 97 2HG2 ILE 97 -11.502 -5.629 -4.499 769 HG23 ILE 97 3HG2 ILE 97 -12.305 -5.255 -2.951 770 HD11 ILE 97 3HD1 ILE 97 -8.822 -3.600 -0.953 771 HD12 ILE 97 1HD1 ILE 97 -8.578 -2.491 -2.320 772 HD13 ILE 97 2HD1 ILE 97 -10.119 -2.510 -1.410 773 H ASP 98 H ASP 98 -11.275 -4.563 -6.828 774 HA ASP 98 HA ASP 98 -13.087 -2.592 -8.042 775 HB2 ASP 98 1HB ASP 98 -11.350 -3.761 -9.383 776 HB3 ASP 98 2HB ASP 98 -12.153 -5.296 -9.056 777 H ILE 99 H ILE 99 -13.316 -5.452 -6.199 778 HA ILE 99 HA ILE 99 -14.963 -6.479 -5.085 779 HB ILE 99 HB ILE 99 -16.968 -4.626 -6.361 780 HG12 ILE 99 1HG1 ILE 99 -15.244 -3.386 -5.032 781 HG13 ILE 99 2HG1 ILE 99 -16.876 -3.245 -4.413 782 HG21 ILE 99 1HG2 ILE 99 -18.109 -6.567 -5.520 783 HG22 ILE 99 2HG2 ILE 99 -17.263 -6.453 -3.964 784 HG23 ILE 99 3HG2 ILE 99 -18.419 -5.200 -4.453 785 HD11 ILE 99 3HD1 ILE 99 -15.120 -3.531 -2.651 786 HD12 ILE 99 1HD1 ILE 99 -16.402 -4.749 -2.572 787 HD13 ILE 99 2HD1 ILE 99 -14.817 -5.173 -3.252 788 HA PRO 100 HA PRO 100 -15.967 -9.488 -8.265 789 HB2 PRO 100 1HB PRO 100 -16.489 -11.653 -6.719 790 HB3 PRO 100 2HB PRO 100 -14.855 -10.945 -6.822 791 HG2 PRO 100 1HG PRO 100 -16.977 -10.451 -4.693 792 HG3 PRO 100 2HG PRO 100 -15.256 -10.892 -4.447 793 HD2 PRO 100 1HD PRO 100 -16.151 -8.291 -4.374 794 HD3 PRO 100 2HD PRO 100 -14.530 -8.724 -4.990 795 H LYS 101 H LYS 101 -17.749 -10.920 -8.897 796 HA LYS 101 HA LYS 101 -20.334 -9.710 -8.711 797 HB2 LYS 101 1HB LYS 101 -21.136 -11.598 -9.967 798 HB3 LYS 101 2HB LYS 101 -19.593 -11.054 -10.621 799 HG2 LYS 101 1HG LYS 101 -18.448 -12.928 -9.376 800 HG3 LYS 101 2HG LYS 101 -20.032 -13.512 -8.854 801 HD2 LYS 101 1HD LYS 101 -19.106 -13.246 -11.747 802 HD3 LYS 101 2HD LYS 101 -19.130 -14.742 -10.804 803 HE2 LYS 101 1HE LYS 101 -21.603 -14.526 -10.529 804 HE3 LYS 101 2HE LYS 101 -21.577 -13.058 -11.518 805 HZ1 LYS 101 3HZ LYS 101 -22.153 -14.999 -12.840 806 HZ2 LYS 101 1HZ LYS 101 -20.730 -14.395 -13.365 807 HZ3 LYS 101 2HZ LYS 101 -20.758 -15.753 -12.453 808 H LYS 102 H LYS 102 -18.836 -12.098 -6.654 809 HA LYS 102 HA LYS 102 -21.082 -13.123 -5.251 810 HB2 LYS 102 1HB LYS 102 -18.718 -13.936 -5.230 811 HB3 LYS 102 2HB LYS 102 -18.266 -12.555 -4.226 812 HG2 LYS 102 1HG LYS 102 -19.786 -13.346 -2.436 813 HG3 LYS 102 2HG LYS 102 -20.302 -14.700 -3.451 814 HD2 LYS 102 1HD LYS 102 -17.456 -14.213 -2.455 815 HD3 LYS 102 2HD LYS 102 -18.630 -15.302 -1.702 816 HE2 LYS 102 1HE LYS 102 -18.754 -16.622 -3.821 817 HE3 LYS 102 2HE LYS 102 -17.526 -15.569 -4.539 818 HZ1 LYS 102 3HZ LYS 102 -16.540 -17.585 -3.634 819 HZ2 LYS 102 1HZ LYS 102 -15.984 -16.294 -2.802 820 HZ3 LYS 102 2HZ LYS 102 -17.119 -17.272 -2.142 821 H GLY 103 H GLY 103 -19.714 -9.912 -5.118 822 HA2 GLY 103 1HA GLY 103 -20.957 -9.092 -2.609 823 HA3 GLY 103 2HA GLY 103 -20.192 -8.058 -3.844 824 H VAL 104 H VAL 104 -22.286 -9.591 -5.717 825 HA VAL 104 HA VAL 104 -24.303 -7.450 -5.569 826 HB VAL 104 HB VAL 104 -24.116 -9.810 -7.487 827 HG11 VAL 104 1HG1 VAL 104 -26.423 -8.963 -7.365 828 HG12 VAL 104 2HG1 VAL 104 -25.845 -7.295 -7.573 829 HG13 VAL 104 3HG1 VAL 104 -25.682 -8.477 -8.891 830 HG21 VAL 104 3HG2 VAL 104 -23.296 -8.126 -9.115 831 HG22 VAL 104 1HG2 VAL 104 -23.306 -6.884 -7.843 832 HG23 VAL 104 2HG2 VAL 104 -22.191 -8.262 -7.747 833 H SER 105 H SER 105 -26.103 -7.579 -4.453 834 HA SER 105 HA SER 105 -27.746 -9.952 -4.058 835 HB2 SER 105 1HB SER 105 -26.099 -8.791 -1.775 836 HB3 SER 105 2HB SER 105 -27.638 -9.611 -1.493 837 HG SER 105 HG SER 105 -25.464 -10.802 -2.897 838 H GLY 106 H GLY 106 -29.762 -9.396 -2.893 839 HA2 GLY 106 1HA GLY 106 -30.774 -6.800 -3.650 840 HA3 GLY 106 2HA GLY 106 -31.648 -8.038 -2.734 841 HA PRO 107 HA PRO 107 -29.876 -4.526 0.031 842 HB2 PRO 107 1HB PRO 107 -31.699 -2.498 -0.038 843 HB3 PRO 107 2HB PRO 107 -30.401 -2.669 -1.259 844 HG2 PRO 107 1HG PRO 107 -33.289 -3.591 -1.474 845 HG3 PRO 107 2HG PRO 107 -32.343 -2.632 -2.658 846 HD2 PRO 107 1HD PRO 107 -32.623 -5.339 -2.883 847 HD3 PRO 107 2HD PRO 107 -31.098 -4.515 -3.333 848 H SER 108 H SER 108 -30.422 -4.309 2.203 849 HA SER 108 HA SER 108 -32.784 -5.774 3.203 850 HB2 SER 108 1HB SER 108 -31.616 -5.503 5.385 851 HB3 SER 108 2HB SER 108 -30.651 -6.327 4.154 852 HG SER 108 HG SER 108 -29.436 -4.723 5.302 853 H SER 109 H SER 109 -32.366 -2.661 2.215 854 HA SER 109 HA SER 109 -33.316 -1.034 4.332 855 HB2 SER 109 1HB SER 109 -33.650 -0.603 1.339 856 HB3 SER 109 2HB SER 109 -33.661 0.642 2.595 857 HG SER 109 HG SER 109 -31.456 0.231 2.978 858 H GLY 110 H GLY 110 -35.292 -0.301 4.979 859 HA2 GLY 110 1HA GLY 110 -37.748 -0.377 3.581 860 HA3 GLY 110 2HA GLY 110 -37.672 -1.834 4.575 861 H5'1 ATP 201 H5" ATP 111 12.470 -13.861 5.633 862 H5'2 ATP 201 H5' ATP 111 12.095 -12.493 6.681 863 H4' ATP 201 H4' ATP 111 10.286 -14.275 6.277 864 H3' ATP 201 H3' ATP 111 10.107 -12.844 3.603 865 HO3' ATP 201 H3T ATP 111 11.179 -14.751 3.365 866 H2' ATP 201 H2' ATP 111 7.791 -13.329 3.656 867 HO2' ATP 201 2HO ATP 111 8.240 -15.553 4.593 868 H1' ATP 201 H1' ATP 111 7.490 -12.799 6.371 869 H8 ATP 201 8H ATP 111 9.646 -10.541 4.029 870 HN61 ATP 201 2H6 ATP 111 6.026 -7.211 3.131 871 HN62 ATP 201 1H6 ATP 111 4.426 -7.099 3.857 872 H2 ATP 201 2H ATP 111 3.753 -10.307 6.581 Start of MODEL 6 1 HA PRO 1 HA PRO 1 -40.718 -2.784 2.489 2 HB2 PRO 1 1HB PRO 1 -40.438 -5.010 4.514 3 HB3 PRO 1 2HB PRO 1 -39.312 -4.501 3.223 4 HG2 PRO 1 1HG PRO 1 -39.347 -3.631 5.973 5 HG3 PRO 1 2HG PRO 1 -38.351 -2.928 4.666 6 HD2 PRO 1 1HD PRO 1 -40.387 -1.538 5.964 7 HD3 PRO 1 2HD PRO 1 -39.790 -1.187 4.326 8 H SER 2 H SER 2 -41.363 -4.468 1.058 9 HA SER 2 HA SER 2 -43.546 -6.299 1.615 10 HB2 SER 2 1HB SER 2 -45.187 -5.304 0.039 11 HB3 SER 2 2HB SER 2 -44.959 -4.367 1.518 12 HG SER 2 HG SER 2 -44.992 -2.990 -0.298 13 H SER 3 H SER 3 -42.990 -4.636 -1.487 14 HA SER 3 HA SER 3 -42.030 -7.133 -2.758 15 HB2 SER 3 1HB SER 3 -42.085 -5.754 -4.815 16 HB3 SER 3 2HB SER 3 -43.631 -5.783 -3.954 17 HG SER 3 HG SER 3 -43.047 -3.649 -4.642 18 H GLY 4 H GLY 4 -40.592 -4.503 -1.150 19 HA2 GLY 4 1HA GLY 4 -37.914 -5.472 -1.460 20 HA3 GLY 4 2HA GLY 4 -38.145 -4.044 -2.451 21 H SER 5 H SER 5 -36.448 -3.246 -1.005 22 HA SER 5 HA SER 5 -37.491 -1.747 1.329 23 HB2 SER 5 1HB SER 5 -35.051 -3.572 1.420 24 HB3 SER 5 2HB SER 5 -35.487 -2.389 2.662 25 HG SER 5 HG SER 5 -36.179 -4.560 3.143 26 H SER 6 H SER 6 -36.351 0.192 1.710 27 HA SER 6 HA SER 6 -34.309 0.985 -0.348 28 HB2 SER 6 1HB SER 6 -36.694 2.593 0.625 29 HB3 SER 6 2HB SER 6 -35.501 3.097 -0.582 30 HG SER 6 HG SER 6 -37.430 2.296 -1.551 31 H GLY 7 H GLY 7 -34.217 0.377 2.748 32 HA2 GLY 7 1HA GLY 7 -33.319 2.947 3.880 33 HA3 GLY 7 2HA GLY 7 -33.382 1.381 4.705 34 H PHE 8 H PHE 8 -31.283 3.619 4.150 35 HA PHE 8 HA PHE 8 -28.939 1.855 3.793 36 HB2 PHE 8 1HB PHE 8 -29.673 4.373 2.241 37 HB3 PHE 8 2HB PHE 8 -28.047 3.757 2.335 38 HD1 PHE 8 2HD PHE 8 -27.613 1.294 1.574 39 HD2 PHE 8 1HD PHE 8 -31.145 3.546 0.550 40 HE1 PHE 8 2HE PHE 8 -28.053 -0.253 -0.318 41 HE2 PHE 8 1HE PHE 8 -31.583 1.998 -1.341 42 HZ PHE 8 HZ PHE 8 -30.040 0.093 -1.775 43 H LEU 9 H LEU 9 -26.906 3.078 4.331 44 HA LEU 9 HA LEU 9 -27.090 5.220 6.319 45 HB2 LEU 9 1HB LEU 9 -27.731 3.151 7.561 46 HB3 LEU 9 2HB LEU 9 -26.248 2.373 7.023 47 HG LEU 9 HG LEU 9 -24.907 3.991 8.349 48 HD11 LEU 9 1HD1 LEU 9 -26.427 5.947 8.370 49 HD12 LEU 9 2HD1 LEU 9 -27.620 5.023 9.307 50 HD13 LEU 9 3HD1 LEU 9 -26.047 5.442 10.018 51 HD21 LEU 9 3HD2 LEU 9 -25.512 3.092 10.554 52 HD22 LEU 9 1HD2 LEU 9 -27.093 2.574 9.928 53 HD23 LEU 9 2HD2 LEU 9 -25.600 1.833 9.311 54 H ASP 10 H ASP 10 -25.055 6.110 6.845 55 HA ASP 10 HA ASP 10 -22.604 5.087 5.584 56 HB2 ASP 10 1HB ASP 10 -23.825 6.655 3.963 57 HB3 ASP 10 2HB ASP 10 -23.545 7.928 5.158 58 H LYS 11 H LYS 11 -20.752 6.583 6.213 59 HA LYS 11 HA LYS 11 -20.903 7.469 9.050 60 HB2 LYS 11 1HB LYS 11 -19.463 5.106 7.805 61 HB3 LYS 11 2HB LYS 11 -18.740 5.889 9.182 62 HG2 LYS 11 1HG LYS 11 -21.481 5.548 9.912 63 HG3 LYS 11 2HG LYS 11 -21.025 4.059 9.078 64 HD2 LYS 11 1HD LYS 11 -19.101 3.804 10.631 65 HD3 LYS 11 2HD LYS 11 -19.546 5.341 11.424 66 HE2 LYS 11 1HE LYS 11 -21.718 4.412 12.096 67 HE3 LYS 11 2HE LYS 11 -21.390 2.916 11.206 68 HZ1 LYS 11 3HZ LYS 11 -20.945 2.678 13.581 69 HZ2 LYS 11 1HZ LYS 11 -19.589 2.435 12.701 70 HZ3 LYS 11 2HZ LYS 11 -19.795 3.844 13.527 71 HA PRO 12 HA PRO 12 -18.065 10.595 8.074 72 HB2 PRO 12 1HB PRO 12 -16.567 10.930 10.345 73 HB3 PRO 12 2HB PRO 12 -18.315 11.263 10.256 74 HG2 PRO 12 1HG PRO 12 -16.929 8.749 11.250 75 HG3 PRO 12 2HG PRO 12 -18.224 9.687 12.066 76 HD2 PRO 12 1HD PRO 12 -18.751 7.459 10.585 77 HD3 PRO 12 2HD PRO 12 -19.879 8.824 10.618 78 H THR 13 H THR 13 -15.679 11.297 8.245 79 HA THR 13 HA THR 13 -13.634 9.297 7.762 80 HB THR 13 HB THR 13 -14.973 9.191 5.650 81 HG1 THR 13 1HG THR 13 -13.192 9.109 4.475 82 HG21 THR 13 3HG2 THR 13 -15.078 11.019 4.134 83 HG22 THR 13 1HG2 THR 13 -15.631 11.662 5.675 84 HG23 THR 13 2HG2 THR 13 -13.982 12.018 5.116 85 H LEU 14 H LEU 14 -11.679 10.276 6.889 86 HA LEU 14 HA LEU 14 -11.106 12.874 8.270 87 HB2 LEU 14 1HB LEU 14 -9.213 10.577 7.642 88 HB3 LEU 14 2HB LEU 14 -8.867 11.996 8.608 89 HG LEU 14 HG LEU 14 -11.190 10.728 9.793 90 HD11 LEU 14 1HD1 LEU 14 -10.531 8.686 8.582 91 HD12 LEU 14 2HD1 LEU 14 -8.906 8.775 9.302 92 HD13 LEU 14 3HD1 LEU 14 -10.329 8.507 10.334 93 HD21 LEU 14 3HD2 LEU 14 -9.721 10.498 11.742 94 HD22 LEU 14 1HD2 LEU 14 -8.292 10.823 10.735 95 HD23 LEU 14 2HD2 LEU 14 -9.515 12.090 10.988 96 H LEU 15 H LEU 15 -11.547 11.603 5.216 97 HA LEU 15 HA LEU 15 -9.354 13.055 3.865 98 HB2 LEU 15 1HB LEU 15 -11.584 11.439 2.593 99 HB3 LEU 15 2HB LEU 15 -10.062 11.933 1.873 100 HG LEU 15 HG LEU 15 -10.439 9.837 4.053 101 HD11 LEU 15 1HD1 LEU 15 -11.089 9.163 1.758 102 HD12 LEU 15 2HD1 LEU 15 -9.481 9.631 1.164 103 HD13 LEU 15 3HD1 LEU 15 -9.653 8.289 2.315 104 HD21 LEU 15 3HD2 LEU 15 -7.999 9.393 3.795 105 HD22 LEU 15 1HD2 LEU 15 -7.853 10.841 2.775 106 HD23 LEU 15 2HD2 LEU 15 -8.316 10.986 4.488 107 H SER 16 H SER 16 -10.286 13.845 1.572 108 HA SER 16 HA SER 16 -11.961 16.216 2.139 109 HB2 SER 16 1HB SER 16 -9.771 15.460 0.202 110 HB3 SER 16 2HB SER 16 -10.810 16.795 -0.139 111 HG SER 16 HG SER 16 -8.893 17.438 1.023 112 HA PRO 17 HA PRO 17 -15.265 14.906 -0.474 113 HB2 PRO 17 1HB PRO 17 -15.926 17.169 -1.893 114 HB3 PRO 17 2HB PRO 17 -16.255 16.955 -0.147 115 HG2 PRO 17 1HG PRO 17 -13.894 18.372 -1.434 116 HG3 PRO 17 2HG PRO 17 -14.948 18.956 -0.101 117 HD2 PRO 17 1HD PRO 17 -12.561 17.819 0.421 118 HD3 PRO 17 2HD PRO 17 -13.983 17.484 1.455 119 H GLU 18 H GLU 18 -12.432 16.302 -2.020 120 HA GLU 18 HA GLU 18 -13.101 15.195 -4.655 121 HB2 GLU 18 1HB GLU 18 -11.034 16.222 -5.406 122 HB3 GLU 18 2HB GLU 18 -12.049 17.369 -4.537 123 HG2 GLU 18 1HG GLU 18 -10.630 17.112 -2.514 124 HG3 GLU 18 2HG GLU 18 -9.612 15.947 -3.369 125 H GLU 19 H GLU 19 -11.680 13.870 -1.859 126 HA GLU 19 HA GLU 19 -9.969 11.907 -3.267 127 HB2 GLU 19 1HB GLU 19 -10.688 12.451 -0.371 128 HB3 GLU 19 2HB GLU 19 -9.912 10.963 -0.845 129 HG2 GLU 19 1HG GLU 19 -8.820 13.753 -1.363 130 HG3 GLU 19 2HG GLU 19 -8.385 12.725 0.007 131 H LEU 20 H LEU 20 -12.821 11.993 -1.177 132 HA LEU 20 HA LEU 20 -13.560 9.266 -1.258 133 HB2 LEU 20 1HB LEU 20 -15.323 11.734 -0.978 134 HB3 LEU 20 2HB LEU 20 -15.757 10.123 -0.431 135 HG LEU 20 HG LEU 20 -13.256 11.466 0.679 136 HD11 LEU 20 1HD1 LEU 20 -15.125 13.063 0.753 137 HD12 LEU 20 2HD1 LEU 20 -16.077 11.896 1.695 138 HD13 LEU 20 3HD1 LEU 20 -14.556 12.569 2.361 139 HD21 LEU 20 3HD2 LEU 20 -13.662 10.058 2.586 140 HD22 LEU 20 1HD2 LEU 20 -15.216 9.500 1.922 141 HD23 LEU 20 2HD2 LEU 20 -13.685 9.048 1.137 142 H LYS 21 H LYS 21 -14.924 11.992 -3.126 143 HA LYS 21 HA LYS 21 -16.528 10.407 -4.893 144 HB2 LYS 21 1HB LYS 21 -15.368 13.187 -5.040 145 HB3 LYS 21 2HB LYS 21 -16.092 12.487 -6.472 146 HG2 LYS 21 1HG LYS 21 -17.654 13.895 -5.170 147 HG3 LYS 21 2HG LYS 21 -18.231 12.260 -5.493 148 HD2 LYS 21 1HD LYS 21 -17.833 11.570 -3.205 149 HD3 LYS 21 2HD LYS 21 -17.000 13.092 -2.840 150 HE2 LYS 21 1HE LYS 21 -19.098 14.347 -3.303 151 HE3 LYS 21 2HE LYS 21 -19.924 12.832 -3.683 152 HZ1 LYS 21 3HZ LYS 21 -20.365 13.528 -1.408 153 HZ2 LYS 21 1HZ LYS 21 -19.539 12.119 -1.387 154 HZ3 LYS 21 2HZ LYS 21 -18.776 13.525 -1.034 155 H ALA 22 H ALA 22 -13.049 11.167 -5.132 156 HA ALA 22 HA ALA 22 -12.755 10.099 -7.822 157 HB1 ALA 22 1HB ALA 22 -11.193 11.756 -6.945 158 HB2 ALA 22 2HB ALA 22 -10.701 10.670 -5.630 159 HB3 ALA 22 3HB ALA 22 -10.329 10.257 -7.315 160 H ALA 23 H ALA 23 -12.208 8.706 -4.551 161 HA ALA 23 HA ALA 23 -11.420 6.097 -5.473 162 HB1 ALA 23 1HB ALA 23 -10.986 7.005 -3.196 163 HB2 ALA 23 2HB ALA 23 -12.731 6.967 -2.849 164 HB3 ALA 23 3HB ALA 23 -11.842 5.454 -3.133 165 H SER 24 H SER 24 -14.604 7.402 -4.485 166 HA SER 24 HA SER 24 -16.105 5.006 -4.806 167 HB2 SER 24 1HB SER 24 -16.736 7.050 -3.530 168 HB3 SER 24 2HB SER 24 -17.068 7.873 -5.065 169 HG SER 24 HG SER 24 -18.963 6.927 -4.098 170 H ARG 25 H ARG 25 -15.160 7.420 -7.242 171 HA ARG 25 HA ARG 25 -16.838 6.557 -9.369 172 HB2 ARG 25 1HB ARG 25 -15.397 8.639 -9.229 173 HB3 ARG 25 2HB ARG 25 -14.006 7.630 -9.604 174 HG2 ARG 25 1HG ARG 25 -14.788 8.762 -11.581 175 HG3 ARG 25 2HG ARG 25 -15.045 7.032 -11.791 176 HD2 ARG 25 1HD ARG 25 -17.446 7.309 -11.297 177 HD3 ARG 25 2HD ARG 25 -17.184 9.029 -10.926 178 HE ARG 25 HE ARG 25 -16.239 8.448 -13.563 179 HH11 ARG 25 1HH1 ARG 25 -19.318 8.829 -11.856 180 HH12 ARG 25 2HH1 ARG 25 -20.158 9.329 -13.293 181 HH21 ARG 25 1HH2 ARG 25 -17.385 9.100 -15.378 182 HH22 ARG 25 2HH2 ARG 25 -19.076 9.478 -15.258 183 H GLY 26 H GLY 26 -13.932 5.137 -8.022 184 HA2 GLY 26 1HA GLY 26 -13.678 3.012 -10.089 185 HA3 GLY 26 2HA GLY 26 -12.714 3.201 -8.599 186 H ASN 27 H ASN 27 -14.091 3.046 -6.551 187 HA ASN 27 HA ASN 27 -16.538 1.587 -6.551 188 HB2 ASN 27 1HB ASN 27 -15.037 -0.344 -7.114 189 HB3 ASN 27 2HB ASN 27 -14.139 -0.044 -5.630 190 HD21 ASN 27 2HD2 ASN 27 -14.656 -1.907 -4.466 191 HD22 ASN 27 1HD2 ASN 27 -16.307 -2.319 -4.011 192 H GLY 28 H GLY 28 -13.730 2.731 -4.716 193 HA2 GLY 28 1HA GLY 28 -13.957 4.209 -2.860 194 HA3 GLY 28 2HA GLY 28 -15.490 3.442 -2.402 195 H GLU 29 H GLU 29 -13.470 0.938 -3.094 196 HA GLU 29 HA GLU 29 -12.617 0.484 -0.295 197 HB2 GLU 29 1HB GLU 29 -13.412 -1.184 -2.517 198 HB3 GLU 29 2HB GLU 29 -11.769 -1.561 -2.101 199 HG2 GLU 29 1HG GLU 29 -13.341 -2.980 -0.832 200 HG3 GLU 29 2HG GLU 29 -12.424 -1.946 0.258 201 H TYR 30 H TYR 30 -10.411 -0.802 -0.254 202 HA TYR 30 HA TYR 30 -8.286 -0.018 -1.989 203 HB2 TYR 30 1HB TYR 30 -7.039 1.454 -0.569 204 HB3 TYR 30 2HB TYR 30 -8.607 2.169 -0.858 205 HD1 TYR 30 2HD TYR 30 -10.458 1.709 0.961 206 HD2 TYR 30 1HD TYR 30 -6.240 1.134 1.632 207 HE1 TYR 30 2HE TYR 30 -10.825 1.895 3.431 208 HE2 TYR 30 1HE TYR 30 -6.595 1.301 4.091 209 HH TYR 30 HH TYR 30 -8.126 1.608 5.784 210 H ALA 31 H ALA 31 -6.320 -0.945 -1.495 211 HA ALA 31 HA ALA 31 -5.861 -2.482 0.967 212 HB1 ALA 31 1HB ALA 31 -7.040 -4.179 -0.213 213 HB2 ALA 31 2HB ALA 31 -6.326 -3.739 -1.774 214 HB3 ALA 31 3HB ALA 31 -5.342 -4.543 -0.524 215 H TRP 32 H TRP 32 -3.682 -3.161 1.167 216 HA TRP 32 HA TRP 32 -1.721 -1.879 -0.703 217 HB2 TRP 32 1HB TRP 32 -1.564 -2.472 2.263 218 HB3 TRP 32 2HB TRP 32 -0.146 -2.208 1.276 219 HD1 TRP 32 HD TRP 32 -3.363 -0.189 2.099 220 HE1 TRP 32 1HE TRP 32 -2.717 2.316 2.179 221 HE3 TRP 32 3HE TRP 32 1.563 -0.540 0.705 222 HZ2 TRP 32 2HZ TRP 32 -0.274 3.860 2.151 223 HZ3 TRP 32 3HZ TRP 32 2.989 1.508 0.695 224 HH2 TRP 32 HH TRP 32 2.080 3.655 1.438 225 H TYR 33 H TYR 33 0.076 -3.034 -1.325 226 HA TYR 33 HA TYR 33 0.150 -5.976 -0.878 227 HB2 TYR 33 1HB TYR 33 0.063 -4.523 -3.544 228 HB3 TYR 33 2HB TYR 33 0.656 -6.159 -3.381 229 HD1 TYR 33 1HD TYR 33 -2.416 -4.052 -2.858 230 HD2 TYR 33 2HD TYR 33 -0.789 -7.985 -3.569 231 HE1 TYR 33 1HE TYR 33 -4.712 -4.939 -3.188 232 HE2 TYR 33 2HE TYR 33 -3.085 -8.869 -3.921 233 HH TYR 33 HH TYR 33 -5.997 -6.787 -3.681 234 H TYR 34 H TYR 34 2.174 -6.964 -1.387 235 HA TYR 34 HA TYR 34 4.521 -5.180 -1.828 236 HB2 TYR 34 1HB TYR 34 5.791 -6.305 -0.137 237 HB3 TYR 34 2HB TYR 34 4.351 -5.616 0.574 238 HD1 TYR 34 1HD TYR 34 2.456 -7.102 1.311 239 HD2 TYR 34 2HD TYR 34 6.197 -8.699 -0.128 240 HE1 TYR 34 1HE TYR 34 1.891 -9.310 2.300 241 HE2 TYR 34 2HE TYR 34 5.640 -10.904 0.866 242 HH TYR 34 HH TYR 34 4.084 -12.140 2.030 243 H GLU 35 H GLU 35 6.255 -6.084 -2.937 244 HA GLU 35 HA GLU 35 5.699 -8.413 -4.627 245 HB2 GLU 35 1HB GLU 35 7.907 -6.389 -4.373 246 HB3 GLU 35 2HB GLU 35 8.306 -7.941 -5.102 247 HG2 GLU 35 1HG GLU 35 5.852 -6.497 -6.065 248 HG3 GLU 35 2HG GLU 35 7.439 -5.940 -6.590 249 H GLY 36 H GLY 36 5.616 -10.270 -3.692 250 HA2 GLY 36 1HA GLY 36 7.711 -11.219 -1.775 251 HA3 GLY 36 2HA GLY 36 6.180 -12.028 -2.167 252 H ARG 37 H ARG 37 7.833 -13.794 -2.317 253 HA ARG 37 HA ARG 37 9.739 -13.804 -4.434 254 HB2 ARG 37 1HB ARG 37 9.748 -14.963 -2.211 255 HB3 ARG 37 2HB ARG 37 8.673 -16.189 -2.873 256 HG2 ARG 37 1HG ARG 37 10.333 -17.004 -4.360 257 HG3 ARG 37 2HG ARG 37 11.289 -15.520 -4.284 258 HD2 ARG 37 1HD ARG 37 10.956 -17.443 -1.940 259 HD3 ARG 37 2HD ARG 37 12.305 -17.466 -3.072 260 HE ARG 37 HE ARG 37 13.061 -15.340 -2.304 261 HH11 ARG 37 1HH1 ARG 37 10.456 -16.564 -0.158 262 HH12 ARG 37 2HH1 ARG 37 10.803 -15.256 0.982 263 HH21 ARG 37 1HH2 ARG 37 13.350 -13.785 -0.603 264 HH22 ARG 37 2HH2 ARG 37 12.271 -13.914 0.769 265 H ASN 38 H ASN 38 6.412 -14.804 -4.408 266 HA ASN 38 HA ASN 38 6.637 -15.969 -7.155 267 HB2 ASN 38 1HB ASN 38 4.577 -16.390 -4.970 268 HB3 ASN 38 2HB ASN 38 4.449 -17.060 -6.594 269 HD21 ASN 38 2HD2 ASN 38 5.032 -18.156 -3.651 270 HD22 ASN 38 1HD2 ASN 38 6.305 -19.314 -3.982 271 H GLY 39 H GLY 39 5.582 -13.095 -5.670 272 HA2 GLY 39 1HA GLY 39 4.972 -11.556 -7.753 273 HA3 GLY 39 2HA GLY 39 3.462 -12.452 -7.633 274 H TRP 40 H TRP 40 2.719 -10.125 -7.318 275 HA TRP 40 HA TRP 40 3.082 -8.795 -4.816 276 HB2 TRP 40 1HB TRP 40 0.769 -8.715 -6.783 277 HB3 TRP 40 2HB TRP 40 0.985 -7.615 -5.432 278 HD1 TRP 40 HD TRP 40 2.072 -8.204 -8.962 279 HE1 TRP 40 1HE TRP 40 3.611 -6.336 -9.771 280 HE3 TRP 40 3HE TRP 40 2.899 -5.855 -4.489 281 HZ2 TRP 40 2HZ TRP 40 4.936 -4.014 -8.645 282 HZ3 TRP 40 3HZ TRP 40 4.311 -3.826 -4.390 283 HH2 TRP 40 HH TRP 40 5.324 -2.875 -6.448 284 H TRP 41 H TRP 41 2.308 -9.231 -2.843 285 HA TRP 41 HA TRP 41 -0.157 -10.889 -2.518 286 HB2 TRP 41 1HB TRP 41 2.355 -10.978 -0.810 287 HB3 TRP 41 2HB TRP 41 0.863 -11.880 -0.516 288 HD1 TRP 41 HD TRP 41 4.120 -12.571 -1.748 289 HE1 TRP 41 1HE TRP 41 4.213 -14.451 -3.484 290 HE3 TRP 41 3HE TRP 41 -0.880 -12.982 -2.782 291 HZ2 TRP 41 2HZ TRP 41 2.394 -15.726 -5.339 292 HZ3 TRP 41 3HZ TRP 41 -1.673 -14.518 -4.521 293 HH2 TRP 41 HH TRP 41 -0.052 -15.897 -5.837 294 H GLN 42 H GLN 42 -1.573 -10.338 -0.900 295 HA GLN 42 HA GLN 42 -1.614 -7.470 -0.397 296 HB2 GLN 42 1HB GLN 42 -3.560 -8.981 -1.148 297 HB3 GLN 42 2HB GLN 42 -3.646 -9.525 0.532 298 HG2 GLN 42 1HG GLN 42 -3.904 -7.077 1.197 299 HG3 GLN 42 2HG GLN 42 -3.991 -6.672 -0.511 300 HE21 GLN 42 2HE2 GLN 42 -6.021 -6.491 1.804 301 HE22 GLN 42 1HE2 GLN 42 -7.432 -7.307 1.150 302 H TYR 43 H TYR 43 -1.483 -6.376 1.521 303 HA TYR 43 HA TYR 43 -0.395 -7.643 3.922 304 HB2 TYR 43 1HB TYR 43 -1.317 -4.865 3.159 305 HB3 TYR 43 2HB TYR 43 -0.944 -5.263 4.828 306 HD1 TYR 43 1HD TYR 43 1.363 -6.046 5.475 307 HD2 TYR 43 2HD TYR 43 0.455 -4.402 1.607 308 HE1 TYR 43 1HE TYR 43 3.763 -5.506 5.142 309 HE2 TYR 43 2HE TYR 43 2.843 -3.829 1.268 310 HH TYR 43 HH TYR 43 4.954 -3.934 2.141 311 H ASP 44 H ASP 44 -1.376 -7.662 5.980 312 HA ASP 44 HA ASP 44 -4.149 -8.439 6.150 313 HB2 ASP 44 1HB ASP 44 -2.378 -9.324 7.599 314 HB3 ASP 44 2HB ASP 44 -2.094 -7.717 8.277 315 H GLU 45 H GLU 45 -5.800 -7.370 7.518 316 HA GLU 45 HA GLU 45 -6.222 -4.645 6.658 317 HB2 GLU 45 1HB GLU 45 -8.323 -4.881 8.015 318 HB3 GLU 45 2HB GLU 45 -8.107 -6.077 6.737 319 HG2 GLU 45 1HG GLU 45 -7.516 -7.808 8.317 320 HG3 GLU 45 2HG GLU 45 -7.382 -6.648 9.635 321 H ARG 46 H ARG 46 -4.824 -6.028 9.566 322 HA ARG 46 HA ARG 46 -5.090 -3.470 11.041 323 HB2 ARG 46 1HB ARG 46 -3.599 -5.932 11.952 324 HB3 ARG 46 2HB ARG 46 -4.240 -4.612 12.922 325 HG2 ARG 46 1HG ARG 46 -5.773 -6.883 11.623 326 HG3 ARG 46 2HG ARG 46 -5.672 -6.452 13.324 327 HD2 ARG 46 1HD ARG 46 -6.996 -4.361 12.828 328 HD3 ARG 46 2HD ARG 46 -7.085 -4.875 11.132 329 HE ARG 46 HE ARG 46 -8.742 -6.331 11.586 330 HH11 ARG 46 1HH1 ARG 46 -7.362 -5.534 14.760 331 HH12 ARG 46 2HH1 ARG 46 -8.640 -6.366 15.597 332 HH21 ARG 46 1HH2 ARG 46 -10.278 -7.347 12.675 333 HH22 ARG 46 2HH2 ARG 46 -10.293 -7.402 14.420 334 H THR 47 H THR 47 -2.887 -4.942 8.881 335 HA THR 47 HA THR 47 -0.577 -3.323 9.796 336 HB THR 47 HB THR 47 -0.734 -5.404 7.581 337 HG1 THR 47 1HG THR 47 0.415 -6.608 9.194 338 HG21 THR 47 3HG2 THR 47 1.786 -5.314 7.842 339 HG22 THR 47 1HG2 THR 47 1.096 -3.826 7.174 340 HG23 THR 47 2HG2 THR 47 1.574 -3.883 8.878 341 H SER 48 H SER 48 -2.462 -3.845 6.770 342 HA SER 48 HA SER 48 -1.245 -1.767 5.272 343 HB2 SER 48 1HB SER 48 -3.244 -1.870 3.843 344 HB3 SER 48 2HB SER 48 -2.583 -3.466 4.205 345 HG SER 48 HG SER 48 -4.267 -3.897 5.552 346 H ARG 49 H ARG 49 -3.891 -1.555 7.620 347 HA ARG 49 HA ARG 49 -4.657 1.110 7.019 348 HB2 ARG 49 1HB ARG 49 -5.884 1.103 9.002 349 HB3 ARG 49 2HB ARG 49 -5.910 -0.540 8.395 350 HG2 ARG 49 1HG ARG 49 -5.581 -0.874 10.654 351 HG3 ARG 49 2HG ARG 49 -3.968 -1.029 9.999 352 HD2 ARG 49 1HD ARG 49 -4.133 0.209 12.194 353 HD3 ARG 49 2HD ARG 49 -3.289 1.063 10.928 354 HE ARG 49 HE ARG 49 -6.154 1.695 11.253 355 HH11 ARG 49 1HH1 ARG 49 -2.852 2.718 12.120 356 HH12 ARG 49 2HH1 ARG 49 -3.305 4.416 12.089 357 HH21 ARG 49 1HH2 ARG 49 -6.646 3.901 11.405 358 HH22 ARG 49 2HH2 ARG 49 -5.394 5.030 11.845 359 H GLU 50 H GLU 50 -1.809 -0.089 8.732 360 HA GLU 50 HA GLU 50 -1.224 2.434 10.089 361 HB2 GLU 50 1HB GLU 50 0.648 0.140 9.365 362 HB3 GLU 50 2HB GLU 50 1.016 1.450 10.467 363 HG2 GLU 50 1HG GLU 50 -1.284 -0.487 10.971 364 HG3 GLU 50 2HG GLU 50 0.369 -0.803 11.478 365 H LEU 51 H LEU 51 -0.349 0.892 7.039 366 HA LEU 51 HA LEU 51 1.601 2.800 6.127 367 HB2 LEU 51 1HB LEU 51 -0.148 0.934 4.470 368 HB3 LEU 51 2HB LEU 51 1.436 1.570 4.050 369 HG LEU 51 HG LEU 51 0.860 -0.463 6.262 370 HD11 LEU 51 1HD1 LEU 51 0.539 -1.319 3.982 371 HD12 LEU 51 2HD1 LEU 51 2.197 -0.829 3.564 372 HD13 LEU 51 3HD1 LEU 51 1.911 -2.072 4.809 373 HD21 LEU 51 3HD2 LEU 51 3.359 -0.692 6.297 374 HD22 LEU 51 1HD2 LEU 51 3.454 0.761 5.272 375 HD23 LEU 51 2HD2 LEU 51 2.780 0.860 6.912 376 H GLU 52 H GLU 52 -1.873 2.348 5.477 377 HA GLU 52 HA GLU 52 -2.175 4.680 3.843 378 HB2 GLU 52 1HB GLU 52 -3.720 2.611 4.074 379 HB3 GLU 52 2HB GLU 52 -4.324 3.369 5.541 380 HG2 GLU 52 1HG GLU 52 -5.855 3.951 3.870 381 HG3 GLU 52 2HG GLU 52 -4.932 5.408 4.113 382 H ASP 53 H ASP 53 -2.137 4.330 7.381 383 HA ASP 53 HA ASP 53 -3.372 6.933 7.837 384 HB2 ASP 53 1HB ASP 53 -3.474 4.905 9.337 385 HB3 ASP 53 2HB ASP 53 -1.794 5.172 9.761 386 H ALA 54 H ALA 54 -0.145 5.565 7.800 387 HA ALA 54 HA ALA 54 1.402 7.613 8.912 388 HB1 ALA 54 1HB ALA 54 2.286 5.440 8.514 389 HB2 ALA 54 2HB ALA 54 2.019 5.564 6.759 390 HB3 ALA 54 3HB ALA 54 3.265 6.560 7.545 391 H PHE 55 H PHE 55 0.738 7.306 5.355 392 HA PHE 55 HA PHE 55 2.069 9.802 4.777 393 HB2 PHE 55 1HB PHE 55 1.609 9.398 2.607 394 HB3 PHE 55 2HB PHE 55 1.399 7.770 3.218 395 HD1 PHE 55 1HD PHE 55 -0.964 6.912 3.676 396 HD2 PHE 55 2HD PHE 55 -0.174 10.572 1.547 397 HE1 PHE 55 1HE PHE 55 -3.251 6.846 2.697 398 HE2 PHE 55 2HE PHE 55 -2.453 10.495 0.561 399 HZ PHE 55 HZ PHE 55 -3.993 8.626 1.132 400 H SER 56 H SER 56 -1.085 9.032 5.912 401 HA SER 56 HA SER 56 -2.351 11.599 5.302 402 HB2 SER 56 1HB SER 56 -3.431 9.247 5.699 403 HB3 SER 56 2HB SER 56 -3.307 9.658 7.413 404 HG SER 56 HG SER 56 -5.326 10.311 6.481 405 H LYS 57 H LYS 57 -0.520 10.234 8.038 406 HA LYS 57 HA LYS 57 -0.989 12.471 9.863 407 HB2 LYS 57 1HB LYS 57 1.010 10.190 9.736 408 HB3 LYS 57 2HB LYS 57 1.028 11.400 11.019 409 HG2 LYS 57 1HG LYS 57 -0.940 10.649 11.997 410 HG3 LYS 57 2HG LYS 57 -1.562 9.938 10.507 411 HD2 LYS 57 1HD LYS 57 -0.871 8.180 12.109 412 HD3 LYS 57 2HD LYS 57 0.005 8.126 10.594 413 HE2 LYS 57 1HE LYS 57 1.794 7.855 11.971 414 HE3 LYS 57 2HE LYS 57 1.808 9.603 11.883 415 HZ1 LYS 57 3HZ LYS 57 1.944 8.888 14.191 416 HZ2 LYS 57 1HZ LYS 57 0.532 9.676 13.969 417 HZ3 LYS 57 2HZ LYS 57 0.549 8.045 14.077 418 H GLY 58 H GLY 58 1.635 11.548 7.612 419 HA2 GLY 58 1HA GLY 58 2.542 13.498 6.304 420 HA3 GLY 58 2HA GLY 58 2.845 14.293 7.861 421 H LYS 59 H LYS 59 3.538 11.117 8.531 422 HA LYS 59 HA LYS 59 6.393 11.466 8.197 423 HB2 LYS 59 1HB LYS 59 6.483 9.047 8.939 424 HB3 LYS 59 2HB LYS 59 5.773 10.182 10.074 425 HG2 LYS 59 1HG LYS 59 3.544 9.439 9.631 426 HG3 LYS 59 2HG LYS 59 4.071 8.573 8.181 427 HD2 LYS 59 1HD LYS 59 3.571 7.041 10.043 428 HD3 LYS 59 2HD LYS 59 5.230 6.929 9.499 429 HE2 LYS 59 1HE LYS 59 5.978 8.334 11.409 430 HE3 LYS 59 2HE LYS 59 4.308 8.438 11.980 431 HZ1 LYS 59 3HZ LYS 59 5.519 6.681 13.130 432 HZ2 LYS 59 1HZ LYS 59 4.346 5.986 12.222 433 HZ3 LYS 59 2HZ LYS 59 5.896 5.936 11.726 434 H LYS 60 H LYS 60 7.809 10.264 6.944 435 HA LYS 60 HA LYS 60 6.763 9.578 4.239 436 HB2 LYS 60 1HB LYS 60 8.827 10.180 3.383 437 HB3 LYS 60 2HB LYS 60 8.490 11.386 4.625 438 HG2 LYS 60 1HG LYS 60 10.037 10.106 6.165 439 HG3 LYS 60 2HG LYS 60 10.420 9.045 4.792 440 HD2 LYS 60 1HD LYS 60 11.051 11.150 3.507 441 HD3 LYS 60 2HD LYS 60 10.970 12.032 5.034 442 HE2 LYS 60 1HE LYS 60 12.797 10.838 5.969 443 HE3 LYS 60 2HE LYS 60 12.608 9.487 4.841 444 HZ1 LYS 60 3HZ LYS 60 14.510 10.861 4.251 445 HZ2 LYS 60 1HZ LYS 60 13.385 10.853 3.058 446 HZ3 LYS 60 2HZ LYS 60 13.552 12.172 4.030 447 H ASN 61 H ASN 61 7.414 7.861 6.940 448 HA ASN 61 HA ASN 61 7.385 5.351 5.660 449 HB2 ASN 61 1HB ASN 61 9.537 4.407 6.325 450 HB3 ASN 61 2HB ASN 61 9.820 5.761 5.248 451 HD21 ASN 61 2HD2 ASN 61 10.429 7.815 6.219 452 HD22 ASN 61 1HD2 ASN 61 11.348 7.827 7.717 453 H THR 62 H THR 62 7.224 3.630 7.196 454 HA THR 62 HA THR 62 6.832 4.342 10.035 455 HB THR 62 HB THR 62 4.726 4.896 8.767 456 HG1 THR 62 1HG THR 62 3.546 3.842 10.526 457 HG21 THR 62 3HG2 THR 62 3.159 3.087 8.327 458 HG22 THR 62 1HG2 THR 62 4.615 2.826 7.351 459 HG23 THR 62 2HG2 THR 62 4.343 1.864 8.823 460 H GLU 63 H GLU 63 6.180 2.393 11.336 461 HA GLU 63 HA GLU 63 7.772 0.021 10.420 462 HB2 GLU 63 1HB GLU 63 7.498 1.356 13.139 463 HB3 GLU 63 2HB GLU 63 8.095 -0.302 12.937 464 HG2 GLU 63 1HG GLU 63 9.891 0.455 11.491 465 HG3 GLU 63 2HG GLU 63 9.329 2.122 11.572 466 H MET 64 H MET 64 6.989 -1.949 10.681 467 HA MET 64 HA MET 64 4.327 -2.387 11.925 468 HB2 MET 64 1HB MET 64 3.642 -3.608 9.836 469 HB3 MET 64 2HB MET 64 3.738 -1.856 9.685 470 HG2 MET 64 1HG MET 64 5.886 -2.015 8.539 471 HG3 MET 64 2HG MET 64 5.978 -3.741 8.860 472 HE1 MET 64 3HE MET 64 5.822 -3.530 5.047 473 HE2 MET 64 1HE MET 64 6.832 -3.036 6.412 474 HE3 MET 64 2HE MET 64 6.247 -4.720 6.297 475 H LEU 65 H LEU 65 3.880 -4.383 12.551 476 HA LEU 65 HA LEU 65 6.085 -6.364 12.670 477 HB2 LEU 65 1HB LEU 65 4.504 -5.284 14.708 478 HB3 LEU 65 2HB LEU 65 3.648 -6.759 14.344 479 HG LEU 65 HG LEU 65 5.164 -7.088 16.163 480 HD11 LEU 65 1HD1 LEU 65 4.906 -9.021 14.656 481 HD12 LEU 65 2HD1 LEU 65 6.386 -8.526 13.797 482 HD13 LEU 65 3HD1 LEU 65 6.468 -9.002 15.495 483 HD21 LEU 65 3HD2 LEU 65 7.556 -6.745 16.050 484 HD22 LEU 65 1HD2 LEU 65 7.462 -6.323 14.329 485 HD23 LEU 65 2HD2 LEU 65 6.724 -5.256 15.543 486 H ILE 66 H ILE 66 5.802 -8.359 11.986 487 HA ILE 66 HA ILE 66 3.294 -9.089 10.479 488 HB ILE 66 HB ILE 66 4.552 -10.070 8.768 489 HG12 ILE 66 1HG1 ILE 66 7.225 -9.054 9.318 490 HG13 ILE 66 2HG1 ILE 66 6.734 -10.065 10.653 491 HG21 ILE 66 1HG2 ILE 66 3.990 -7.646 8.654 492 HG22 ILE 66 2HG2 ILE 66 5.638 -7.260 9.189 493 HG23 ILE 66 3HG2 ILE 66 5.369 -8.127 7.663 494 HD11 ILE 66 3HD1 ILE 66 7.902 -11.222 8.679 495 HD12 ILE 66 1HD1 ILE 66 6.439 -11.989 9.301 496 HD13 ILE 66 2HD1 ILE 66 6.363 -11.027 7.819 497 H ALA 67 H ALA 67 4.300 -11.726 9.791 498 HA ALA 67 HA ALA 67 3.333 -13.281 11.913 499 HB1 ALA 67 1HB ALA 67 3.463 -13.928 9.505 500 HB2 ALA 67 2HB ALA 67 5.240 -14.019 9.641 501 HB3 ALA 67 3HB ALA 67 4.220 -15.149 10.553 502 H GLY 68 H GLY 68 6.514 -11.904 11.718 503 HA2 GLY 68 1HA GLY 68 7.270 -12.854 14.289 504 HA3 GLY 68 2HA GLY 68 8.046 -13.872 13.098 505 H PHE 69 H PHE 69 7.649 -10.469 12.252 506 HA PHE 69 HA PHE 69 10.458 -9.812 12.881 507 HB2 PHE 69 1HB PHE 69 9.415 -10.072 10.028 508 HB3 PHE 69 2HB PHE 69 10.934 -9.341 10.470 509 HD1 PHE 69 1HD PHE 69 12.836 -10.688 11.289 510 HD2 PHE 69 2HD PHE 69 9.158 -12.540 10.001 511 HE1 PHE 69 1HE PHE 69 13.999 -12.873 11.095 512 HE2 PHE 69 2HE PHE 69 10.325 -14.716 9.804 513 HZ PHE 69 HZ PHE 69 12.746 -14.890 10.350 514 H LEU 70 H LEU 70 11.018 -7.628 12.407 515 HA LEU 70 HA LEU 70 8.716 -5.724 12.251 516 HB2 LEU 70 1HB LEU 70 10.379 -5.673 14.235 517 HB3 LEU 70 2HB LEU 70 11.579 -5.155 13.064 518 HG LEU 70 HG LEU 70 10.846 -3.276 14.284 519 HD11 LEU 70 1HD1 LEU 70 11.118 -2.922 11.763 520 HD12 LEU 70 2HD1 LEU 70 9.338 -2.859 11.701 521 HD13 LEU 70 3HD1 LEU 70 10.227 -1.685 12.666 522 HD21 LEU 70 3HD2 LEU 70 8.514 -2.466 14.353 523 HD22 LEU 70 1HD2 LEU 70 7.980 -3.943 13.528 524 HD23 LEU 70 2HD2 LEU 70 8.725 -4.037 15.141 525 H TYR 71 H TYR 71 8.442 -4.773 10.407 526 HA TYR 71 HA TYR 71 10.727 -4.378 8.504 527 HB2 TYR 71 1HB TYR 71 7.832 -4.931 7.854 528 HB3 TYR 71 2HB TYR 71 9.050 -4.489 6.663 529 HD1 TYR 71 2HD TYR 71 11.374 -6.245 7.592 530 HD2 TYR 71 1HD TYR 71 7.175 -7.055 7.072 531 HE1 TYR 71 2HE TYR 71 11.853 -8.674 7.338 532 HE2 TYR 71 1HE TYR 71 7.632 -9.445 6.907 533 HH TYR 71 HH TYR 71 9.288 -11.117 6.884 534 H VAL 72 H VAL 72 11.027 -2.451 7.665 535 HA VAL 72 HA VAL 72 9.401 -0.134 8.575 536 HB VAL 72 HB VAL 72 11.972 -0.081 6.995 537 HG11 VAL 72 1HG1 VAL 72 10.630 2.005 6.883 538 HG12 VAL 72 2HG1 VAL 72 10.551 2.050 8.660 539 HG13 VAL 72 3HG1 VAL 72 12.101 2.264 7.828 540 HG21 VAL 72 3HG2 VAL 72 13.131 0.488 9.126 541 HG22 VAL 72 1HG2 VAL 72 11.651 0.071 10.014 542 HG23 VAL 72 2HG2 VAL 72 12.526 -1.170 9.091 543 H ALA 73 H ALA 73 7.989 0.744 7.153 544 HA ALA 73 HA ALA 73 8.044 -0.042 4.259 545 HB1 ALA 73 1HB ALA 73 6.074 -0.846 5.503 546 HB2 ALA 73 2HB ALA 73 5.756 0.805 6.080 547 HB3 ALA 73 3HB ALA 73 5.621 0.420 4.344 548 H ASP 74 H ASP 74 8.664 1.508 2.950 549 HA ASP 74 HA ASP 74 8.812 4.328 3.859 550 HB2 ASP 74 1HB ASP 74 10.912 3.177 3.389 551 HB3 ASP 74 2HB ASP 74 10.347 2.743 1.780 552 H LEU 75 H LEU 75 7.486 5.748 3.051 553 HA LEU 75 HA LEU 75 5.734 5.225 0.780 554 HB2 LEU 75 1HB LEU 75 6.102 7.491 2.786 555 HB3 LEU 75 2HB LEU 75 4.977 7.619 1.468 556 HG LEU 75 HG LEU 75 4.753 5.207 3.304 557 HD11 LEU 75 1HD1 LEU 75 4.813 7.058 4.889 558 HD12 LEU 75 2HD1 LEU 75 3.690 8.004 3.889 559 HD13 LEU 75 3HD1 LEU 75 3.138 6.518 4.688 560 HD21 LEU 75 3HD2 LEU 75 2.389 5.456 2.652 561 HD22 LEU 75 1HD2 LEU 75 2.812 6.856 1.643 562 HD23 LEU 75 2HD2 LEU 75 3.479 5.259 1.253 563 H GLU 76 H GLU 76 8.804 6.861 1.183 564 HA GLU 76 HA GLU 76 8.510 8.799 -0.929 565 HB2 GLU 76 1HB GLU 76 11.041 7.487 0.155 566 HB3 GLU 76 2HB GLU 76 10.964 8.843 -0.945 567 HG2 GLU 76 1HG GLU 76 9.469 9.820 1.114 568 HG3 GLU 76 2HG GLU 76 10.467 8.689 2.004 569 H ASN 77 H ASN 77 10.074 5.601 -0.834 570 HA ASN 77 HA ASN 77 10.425 5.549 -3.785 571 HB2 ASN 77 1HB ASN 77 11.541 3.799 -1.556 572 HB3 ASN 77 2HB ASN 77 11.986 3.705 -3.256 573 HD21 ASN 77 2HD2 ASN 77 12.113 5.847 -0.350 574 HD22 ASN 77 1HD2 ASN 77 13.546 6.711 -0.905 575 H MET 78 H MET 78 8.268 4.429 -1.487 576 HA MET 78 HA MET 78 6.695 2.786 -1.253 577 HB2 MET 78 1HB MET 78 6.828 2.486 -4.265 578 HB3 MET 78 2HB MET 78 5.583 1.859 -3.185 579 HG2 MET 78 1HG MET 78 5.958 4.771 -2.864 580 HG3 MET 78 2HG MET 78 5.589 4.302 -4.512 581 HE1 MET 78 3HE MET 78 2.810 3.706 -0.882 582 HE2 MET 78 1HE MET 78 4.356 2.843 -1.001 583 HE3 MET 78 2HE MET 78 4.332 4.621 -0.885 584 H VAL 79 H VAL 79 8.543 1.732 -0.131 585 HA VAL 79 HA VAL 79 8.947 -1.023 -1.167 586 HB VAL 79 HB VAL 79 11.390 -0.972 -0.711 587 HG11 VAL 79 1HG1 VAL 79 10.643 -0.759 -3.038 588 HG12 VAL 79 2HG1 VAL 79 10.640 1.015 -2.873 589 HG13 VAL 79 3HG1 VAL 79 12.152 0.109 -2.727 590 HG21 VAL 79 3HG2 VAL 79 12.510 1.316 -0.701 591 HG22 VAL 79 1HG2 VAL 79 10.939 2.015 -0.354 592 HG23 VAL 79 2HG2 VAL 79 11.665 0.865 0.788 593 H GLN 80 H GLN 80 9.869 -2.521 0.439 594 HA GLN 80 HA GLN 80 9.777 -1.573 3.238 595 HB2 GLN 80 1HB GLN 80 8.588 -3.511 3.973 596 HB3 GLN 80 2HB GLN 80 7.677 -2.711 2.714 597 HG2 GLN 80 1HG GLN 80 7.390 -4.821 1.949 598 HG3 GLN 80 2HG GLN 80 8.915 -4.531 1.134 599 HE21 GLN 80 2HE2 GLN 80 7.790 -5.643 4.423 600 HE22 GLN 80 1HE2 GLN 80 8.858 -7.031 4.449 601 H TYR 81 H TYR 81 11.099 -2.575 4.716 602 HA TYR 81 HA TYR 81 13.128 -4.539 3.976 603 HB2 TYR 81 1HB TYR 81 15.015 -2.921 4.321 604 HB3 TYR 81 2HB TYR 81 14.105 -2.714 2.848 605 HD1 TYR 81 2HD TYR 81 14.565 -1.257 6.285 606 HD2 TYR 81 1HD TYR 81 13.080 -0.649 2.284 607 HE1 TYR 81 2HE TYR 81 14.417 1.181 6.711 608 HE2 TYR 81 1HE TYR 81 12.879 1.785 2.726 609 HH TYR 81 HH TYR 81 13.196 3.490 4.253 610 H ARG 82 H ARG 82 14.688 -4.950 5.757 611 HA ARG 82 HA ARG 82 13.505 -4.659 8.456 612 HB2 ARG 82 1HB ARG 82 15.942 -6.102 7.351 613 HB3 ARG 82 2HB ARG 82 15.644 -5.933 9.088 614 HG2 ARG 82 1HG ARG 82 13.504 -7.078 8.901 615 HG3 ARG 82 2HG ARG 82 13.651 -7.151 7.139 616 HD2 ARG 82 1HD ARG 82 14.138 -9.295 8.258 617 HD3 ARG 82 2HD ARG 82 15.467 -8.715 7.254 618 HE ARG 82 HE ARG 82 15.333 -8.765 10.238 619 HH11 ARG 82 1HH1 ARG 82 17.434 -8.313 7.360 620 HH12 ARG 82 2HH1 ARG 82 18.861 -8.467 8.337 621 HH21 ARG 82 1HH2 ARG 82 17.239 -8.908 11.364 622 HH22 ARG 82 2HH2 ARG 82 18.763 -8.770 10.543 623 H ARG 83 H ARG 83 14.443 -3.526 10.161 624 HA ARG 83 HA ARG 83 15.177 -0.937 9.621 625 HB2 ARG 83 1HB ARG 83 15.921 -2.383 12.194 626 HB3 ARG 83 2HB ARG 83 15.687 -0.648 11.966 627 HG2 ARG 83 1HG ARG 83 13.268 -1.146 11.348 628 HG3 ARG 83 2HG ARG 83 13.568 -2.828 11.807 629 HD2 ARG 83 1HD ARG 83 12.580 -1.869 13.683 630 HD3 ARG 83 2HD ARG 83 14.291 -1.936 14.101 631 HE ARG 83 HE ARG 83 12.655 0.467 13.343 632 HH11 ARG 83 1HH1 ARG 83 15.738 -0.606 14.766 633 HH12 ARG 83 2HH1 ARG 83 16.100 1.011 15.291 634 HH21 ARG 83 1HH2 ARG 83 13.119 2.334 14.017 635 HH22 ARG 83 2HH2 ARG 83 14.613 2.719 14.867 636 H ASN 84 H ASN 84 17.507 -3.538 10.333 637 HA ASN 84 HA ASN 84 19.806 -1.693 10.117 638 HB2 ASN 84 1HB ASN 84 19.517 -3.422 11.936 639 HB3 ASN 84 2HB ASN 84 19.781 -4.665 10.712 640 HD21 ASN 84 2HD2 ASN 84 21.918 -5.328 10.589 641 HD22 ASN 84 1HD2 ASN 84 23.295 -4.329 11.025 642 H GLU 85 H GLU 85 18.004 -3.316 7.835 643 HA GLU 85 HA GLU 85 20.282 -4.236 6.166 644 HB2 GLU 85 1HB GLU 85 18.295 -5.727 6.949 645 HB3 GLU 85 2HB GLU 85 17.355 -4.873 5.711 646 HG2 GLU 85 1HG GLU 85 19.181 -5.531 4.062 647 HG3 GLU 85 2HG GLU 85 19.913 -6.488 5.341 648 H HIS 86 H HIS 86 19.663 -1.472 6.422 649 HA HIS 86 HA HIS 86 17.831 -0.343 4.652 650 HB2 HIS 86 1HB HIS 86 19.033 1.744 5.038 651 HB3 HIS 86 2HB HIS 86 18.873 0.812 6.525 652 HD2 HIS 86 2HD HIS 86 21.097 0.063 7.753 653 HE1 HIS 86 1HE HIS 86 23.913 1.612 4.961 654 HE2 HIS 86 2HE HIS 86 23.634 0.550 7.261 655 H GLY 87 H GLY 87 20.892 -1.628 3.754 656 HA2 GLY 87 1HA GLY 87 21.207 -0.257 1.192 657 HA3 GLY 87 2HA GLY 87 22.107 -1.682 1.763 658 H ARG 88 H ARG 88 19.014 -2.692 2.123 659 HA ARG 88 HA ARG 88 18.520 -3.520 -0.688 660 HB2 ARG 88 1HB ARG 88 20.015 -5.170 0.306 661 HB3 ARG 88 2HB ARG 88 18.962 -5.334 1.720 662 HG2 ARG 88 1HG ARG 88 17.190 -6.303 0.371 663 HG3 ARG 88 2HG ARG 88 18.093 -5.979 -1.127 664 HD2 ARG 88 1HD ARG 88 19.863 -7.515 -0.429 665 HD3 ARG 88 2HD ARG 88 19.070 -7.802 1.117 666 HE ARG 88 HE ARG 88 18.234 -8.788 -1.548 667 HH11 ARG 88 1HH1 ARG 88 17.395 -8.660 1.940 668 HH12 ARG 88 2HH1 ARG 88 16.337 -10.051 1.759 669 HH21 ARG 88 1HH2 ARG 88 16.675 -10.395 -1.650 670 HH22 ARG 88 2HH2 ARG 88 15.789 -10.851 -0.209 671 H ARG 89 H ARG 89 16.384 -3.937 -1.160 672 HA ARG 89 HA ARG 89 14.248 -3.852 0.831 673 HB2 ARG 89 1HB ARG 89 13.386 -1.663 0.244 674 HB3 ARG 89 2HB ARG 89 15.032 -1.521 0.841 675 HG2 ARG 89 1HG ARG 89 15.692 -1.578 -1.729 676 HG3 ARG 89 2HG ARG 89 13.988 -1.172 -1.972 677 HD2 ARG 89 1HD ARG 89 14.457 0.731 -0.234 678 HD3 ARG 89 2HD ARG 89 16.157 0.384 -0.523 679 HE ARG 89 HE ARG 89 15.153 0.653 -3.067 680 HH11 ARG 89 1HH1 ARG 89 15.180 2.829 -0.273 681 HH12 ARG 89 2HH1 ARG 89 15.053 4.246 -1.272 682 HH21 ARG 89 1HH2 ARG 89 14.987 2.529 -4.284 683 HH22 ARG 89 2HH2 ARG 89 14.865 4.075 -3.492 684 H ARG 90 H ARG 90 12.121 -3.927 -0.054 685 HA ARG 90 HA ARG 90 11.940 -5.044 -2.840 686 HB2 ARG 90 1HB ARG 90 10.655 -6.106 -0.290 687 HB3 ARG 90 2HB ARG 90 10.422 -6.758 -1.917 688 HG2 ARG 90 1HG ARG 90 12.863 -7.271 -2.050 689 HG3 ARG 90 2HG ARG 90 13.075 -6.701 -0.391 690 HD2 ARG 90 1HD ARG 90 11.327 -9.046 -1.228 691 HD3 ARG 90 2HD ARG 90 12.961 -9.156 -0.559 692 HE ARG 90 HE ARG 90 10.961 -7.709 1.081 693 HH11 ARG 90 1HH1 ARG 90 12.886 -10.808 0.842 694 HH12 ARG 90 2HH1 ARG 90 12.083 -11.327 2.303 695 HH21 ARG 90 1HH2 ARG 90 10.255 -8.600 2.972 696 HH22 ARG 90 2HH2 ARG 90 10.846 -10.213 3.440 697 H LYS 91 H LYS 91 10.171 -4.452 -4.022 698 HA LYS 91 HA LYS 91 8.906 -2.000 -3.480 699 HB2 LYS 91 1HB LYS 91 8.619 -4.223 -5.475 700 HB3 LYS 91 2HB LYS 91 7.313 -3.069 -5.418 701 HG2 LYS 91 1HG LYS 91 10.227 -2.294 -5.801 702 HG3 LYS 91 2HG LYS 91 9.118 -2.624 -7.126 703 HD2 LYS 91 1HD LYS 91 8.820 -0.409 -5.067 704 HD3 LYS 91 2HD LYS 91 9.371 -0.204 -6.716 705 HE2 LYS 91 1HE LYS 91 6.578 -1.134 -5.901 706 HE3 LYS 91 2HE LYS 91 7.019 0.515 -6.314 707 HZ1 LYS 91 3HZ LYS 91 6.083 -0.616 -8.229 708 HZ2 LYS 91 1HZ LYS 91 7.639 -0.235 -8.534 709 HZ3 LYS 91 2HZ LYS 91 7.233 -1.780 -8.188 710 H ILE 92 H ILE 92 6.903 -1.264 -2.990 711 HA ILE 92 HA ILE 92 4.726 -3.173 -2.311 712 HB ILE 92 HB ILE 92 3.991 -2.006 -0.395 713 HG12 ILE 92 1HG1 ILE 92 6.095 0.025 -1.045 714 HG13 ILE 92 2HG1 ILE 92 4.366 0.267 -0.958 715 HG21 ILE 92 1HG2 ILE 92 5.805 -3.685 -0.094 716 HG22 ILE 92 2HG2 ILE 92 6.989 -2.360 -0.055 717 HG23 ILE 92 3HG2 ILE 92 5.733 -2.472 1.190 718 HD11 ILE 92 3HD1 ILE 92 5.412 1.302 0.939 719 HD12 ILE 92 1HD1 ILE 92 4.509 -0.117 1.532 720 HD13 ILE 92 2HD1 ILE 92 6.281 -0.177 1.368 721 H LYS 93 H LYS 93 2.569 -2.102 -2.346 722 HA LYS 93 HA LYS 93 2.315 0.384 -3.849 723 HB2 LYS 93 1HB LYS 93 1.222 -0.475 -5.798 724 HB3 LYS 93 2HB LYS 93 2.752 -1.330 -5.660 725 HG2 LYS 93 1HG LYS 93 1.633 -3.319 -4.798 726 HG3 LYS 93 2HG LYS 93 0.091 -2.469 -4.672 727 HD2 LYS 93 1HD LYS 93 -0.036 -2.181 -7.084 728 HD3 LYS 93 2HD LYS 93 1.510 -3.039 -7.294 729 HE2 LYS 93 1HE LYS 93 0.604 -5.095 -6.476 730 HE3 LYS 93 2HE LYS 93 -0.814 -4.297 -5.781 731 HZ1 LYS 93 3HZ LYS 93 -1.262 -5.487 -7.893 732 HZ2 LYS 93 1HZ LYS 93 -1.708 -3.923 -7.925 733 HZ3 LYS 93 2HZ LYS 93 -0.332 -4.408 -8.699 734 H ARG 94 H ARG 94 0.005 0.869 -4.375 735 HA ARG 94 HA ARG 94 -1.947 -0.213 -2.376 736 HB2 ARG 94 1HB ARG 94 -1.962 2.413 -3.917 737 HB3 ARG 94 2HB ARG 94 -3.315 1.786 -2.967 738 HG2 ARG 94 1HG ARG 94 -1.862 1.802 -0.924 739 HG3 ARG 94 2HG ARG 94 -0.584 2.581 -1.886 740 HD2 ARG 94 1HD ARG 94 -2.289 4.387 -2.494 741 HD3 ARG 94 2HD ARG 94 -3.408 3.624 -1.363 742 HE ARG 94 HE ARG 94 -2.286 4.505 0.417 743 HH11 ARG 94 1HH1 ARG 94 -0.132 4.848 -2.394 744 HH12 ARG 94 2HH1 ARG 94 0.882 6.011 -1.597 745 HH21 ARG 94 1HH2 ARG 94 -0.995 6.088 1.320 746 HH22 ARG 94 2HH2 ARG 94 0.415 6.686 0.492 747 H ASP 95 H ASP 95 -3.978 -0.828 -3.161 748 HA ASP 95 HA ASP 95 -4.631 -0.643 -6.006 749 HB2 ASP 95 1HB ASP 95 -3.412 -3.022 -5.170 750 HB3 ASP 95 2HB ASP 95 -5.142 -3.378 -5.042 751 H ILE 96 H ILE 96 -6.870 -1.918 -6.266 752 HA ILE 96 HA ILE 96 -8.696 -0.989 -4.066 753 HB ILE 96 HB ILE 96 -9.056 -0.637 -7.055 754 HG12 ILE 96 1HG1 ILE 96 -7.370 0.942 -6.162 755 HG13 ILE 96 2HG1 ILE 96 -8.814 1.741 -6.753 756 HG21 ILE 96 1HG2 ILE 96 -11.240 -0.919 -6.069 757 HG22 ILE 96 2HG2 ILE 96 -10.840 0.115 -4.676 758 HG23 ILE 96 3HG2 ILE 96 -11.043 0.817 -6.298 759 HD11 ILE 96 3HD1 ILE 96 -7.873 2.622 -4.554 760 HD12 ILE 96 1HD1 ILE 96 -9.601 2.212 -4.556 761 HD13 ILE 96 2HD1 ILE 96 -8.438 1.105 -3.813 762 H ILE 97 H ILE 97 -10.333 -2.237 -3.594 763 HA ILE 97 HA ILE 97 -10.699 -4.866 -4.960 764 HB ILE 97 HB ILE 97 -11.990 -3.838 -2.428 765 HG12 ILE 97 1HG1 ILE 97 -10.485 -5.809 -1.512 766 HG13 ILE 97 2HG1 ILE 97 -9.457 -5.409 -2.880 767 HG21 ILE 97 1HG2 ILE 97 -13.383 -5.454 -3.501 768 HG22 ILE 97 2HG2 ILE 97 -12.008 -6.562 -3.751 769 HG23 ILE 97 3HG2 ILE 97 -12.618 -6.219 -2.112 770 HD11 ILE 97 3HD1 ILE 97 -9.135 -4.263 -0.513 771 HD12 ILE 97 1HD1 ILE 97 -8.928 -3.284 -1.983 772 HD13 ILE 97 2HD1 ILE 97 -10.430 -3.188 -1.027 773 H ASP 98 H ASP 98 -12.517 -5.377 -6.059 774 HA ASP 98 HA ASP 98 -14.405 -3.181 -6.682 775 HB2 ASP 98 1HB ASP 98 -13.089 -4.269 -8.493 776 HB3 ASP 98 2HB ASP 98 -13.891 -5.797 -8.134 777 H ILE 99 H ILE 99 -14.431 -6.289 -5.188 778 HA ILE 99 HA ILE 99 -15.891 -7.392 -3.887 779 HB ILE 99 HB ILE 99 -17.828 -5.105 -4.213 780 HG12 ILE 99 1HG1 ILE 99 -15.660 -4.349 -3.228 781 HG13 ILE 99 2HG1 ILE 99 -17.030 -4.189 -2.150 782 HG21 ILE 99 1HG2 ILE 99 -19.029 -7.017 -3.421 783 HG22 ILE 99 2HG2 ILE 99 -17.799 -7.357 -2.188 784 HG23 ILE 99 3HG2 ILE 99 -18.805 -5.899 -2.081 785 HD11 ILE 99 3HD1 ILE 99 -14.946 -5.021 -1.042 786 HD12 ILE 99 1HD1 ILE 99 -16.332 -6.097 -0.828 787 HD13 ILE 99 2HD1 ILE 99 -15.062 -6.513 -1.996 788 HA PRO 100 HA PRO 100 -18.254 -9.547 -7.058 789 HB2 PRO 100 1HB PRO 100 -18.736 -11.887 -5.769 790 HB3 PRO 100 2HB PRO 100 -17.098 -11.417 -6.302 791 HG2 PRO 100 1HG PRO 100 -18.334 -11.113 -3.539 792 HG3 PRO 100 2HG PRO 100 -16.728 -11.787 -3.957 793 HD2 PRO 100 1HD PRO 100 -17.113 -9.166 -3.171 794 HD3 PRO 100 2HD PRO 100 -15.826 -9.651 -4.309 795 H LYS 101 H LYS 101 -20.390 -10.482 -7.328 796 HA LYS 101 HA LYS 101 -22.483 -8.945 -6.125 797 HB2 LYS 101 1HB LYS 101 -24.020 -10.343 -7.361 798 HB3 LYS 101 2HB LYS 101 -22.647 -9.884 -8.364 799 HG2 LYS 101 1HG LYS 101 -21.641 -12.153 -8.000 800 HG3 LYS 101 2HG LYS 101 -23.062 -12.605 -7.037 801 HD2 LYS 101 1HD LYS 101 -24.525 -12.198 -8.995 802 HD3 LYS 101 2HD LYS 101 -23.103 -11.749 -9.962 803 HE2 LYS 101 1HE LYS 101 -22.132 -14.009 -9.582 804 HE3 LYS 101 2HE LYS 101 -23.547 -14.457 -8.619 805 HZ1 LYS 101 3HZ LYS 101 -23.747 -15.241 -10.903 806 HZ2 LYS 101 1HZ LYS 101 -24.916 -14.140 -10.607 807 HZ3 LYS 101 2HZ LYS 101 -23.608 -13.725 -11.496 808 H LYS 102 H LYS 102 -21.193 -12.094 -5.236 809 HA LYS 102 HA LYS 102 -23.130 -12.847 -3.262 810 HB2 LYS 102 1HB LYS 102 -21.438 -14.290 -4.400 811 HB3 LYS 102 2HB LYS 102 -20.156 -13.510 -3.464 812 HG2 LYS 102 1HG LYS 102 -21.184 -14.348 -1.362 813 HG3 LYS 102 2HG LYS 102 -22.488 -15.102 -2.288 814 HD2 LYS 102 1HD LYS 102 -19.521 -15.787 -2.510 815 HD3 LYS 102 2HD LYS 102 -20.709 -16.682 -1.554 816 HE2 LYS 102 1HE LYS 102 -22.015 -17.161 -3.628 817 HE3 LYS 102 2HE LYS 102 -20.787 -16.322 -4.585 818 HZ1 LYS 102 3HZ LYS 102 -20.409 -18.711 -4.572 819 HZ2 LYS 102 1HZ LYS 102 -19.162 -17.966 -3.825 820 HZ3 LYS 102 2HZ LYS 102 -20.300 -18.746 -2.943 821 H GLY 103 H GLY 103 -20.583 -10.462 -3.139 822 HA2 GLY 103 1HA GLY 103 -20.440 -10.285 -0.210 823 HA3 GLY 103 2HA GLY 103 -19.612 -9.267 -1.415 824 H VAL 104 H VAL 104 -22.544 -8.935 -2.556 825 HA VAL 104 HA VAL 104 -22.968 -6.342 -1.318 826 HB VAL 104 HB VAL 104 -24.752 -7.852 -3.274 827 HG11 VAL 104 1HG1 VAL 104 -26.039 -6.111 -2.085 828 HG12 VAL 104 2HG1 VAL 104 -24.764 -4.918 -2.418 829 HG13 VAL 104 3HG1 VAL 104 -25.723 -5.605 -3.746 830 HG21 VAL 104 3HG2 VAL 104 -23.761 -6.335 -4.971 831 HG22 VAL 104 1HG2 VAL 104 -22.669 -5.665 -3.739 832 HG23 VAL 104 2HG2 VAL 104 -22.526 -7.363 -4.240 833 H SER 105 H SER 105 -23.739 -6.150 0.644 834 HA SER 105 HA SER 105 -25.996 -7.864 1.644 835 HB2 SER 105 1HB SER 105 -23.465 -7.163 3.177 836 HB3 SER 105 2HB SER 105 -24.791 -8.200 3.717 837 HG SER 105 HG SER 105 -22.915 -8.696 1.634 838 H GLY 106 H GLY 106 -25.492 -4.792 0.898 839 HA2 GLY 106 1HA GLY 106 -26.531 -2.810 1.625 840 HA3 GLY 106 2HA GLY 106 -27.076 -3.637 3.097 841 HA PRO 107 HA PRO 107 -23.553 -0.751 4.124 842 HB2 PRO 107 1HB PRO 107 -24.718 0.619 6.183 843 HB3 PRO 107 2HB PRO 107 -24.977 1.028 4.459 844 HG2 PRO 107 1HG PRO 107 -26.763 -0.635 6.262 845 HG3 PRO 107 2HG PRO 107 -27.232 0.706 5.174 846 HD2 PRO 107 1HD PRO 107 -27.459 -1.905 4.432 847 HD3 PRO 107 2HD PRO 107 -26.994 -0.642 3.251 848 H SER 108 H SER 108 -21.962 -1.440 5.440 849 HA SER 108 HA SER 108 -22.234 -2.574 8.065 850 HB2 SER 108 1HB SER 108 -23.144 -4.451 6.600 851 HB3 SER 108 2HB SER 108 -21.536 -4.566 5.877 852 HG SER 108 HG SER 108 -21.912 -6.032 7.672 853 H SER 109 H SER 109 -19.980 -3.994 8.311 854 HA SER 109 HA SER 109 -17.722 -3.969 8.564 855 HB2 SER 109 1HB SER 109 -17.663 -2.620 5.842 856 HB3 SER 109 2HB SER 109 -16.321 -3.434 6.645 857 HG SER 109 HG SER 109 -18.776 -4.649 5.836 858 H GLY 110 H GLY 110 -19.280 -1.367 9.309 859 HA2 GLY 110 1HA GLY 110 -16.983 0.007 10.483 860 HA3 GLY 110 2HA GLY 110 -17.811 0.949 9.241 861 H5'1 ATP 201 H5" ATP 111 10.612 -14.996 6.126 862 H5'2 ATP 201 H5' ATP 111 10.642 -13.232 6.227 863 H4' ATP 201 H4' ATP 111 8.778 -14.493 7.476 864 H3' ATP 201 H3' ATP 111 8.166 -15.730 5.084 865 HO3' ATP 201 H3T ATP 111 5.938 -15.757 6.068 866 H2' ATP 201 H2' ATP 111 7.618 -13.721 3.919 867 HO2' ATP 201 2HO ATP 111 5.304 -13.629 3.785 868 H1' ATP 201 H1' ATP 111 6.117 -12.794 6.371 869 H8 ATP 201 8H ATP 111 8.940 -11.183 4.215 870 HN61 ATP 201 2H6 ATP 111 6.398 -7.111 3.129 871 HN62 ATP 201 1H6 ATP 111 4.791 -6.572 3.629 872 H2 ATP 201 2H ATP 111 2.993 -9.661 6.081 Start of MODEL 7 1 HA PRO 1 HA PRO 1 -43.678 8.381 3.797 2 HB2 PRO 1 1HB PRO 1 -41.292 7.243 2.331 3 HB3 PRO 1 2HB PRO 1 -42.893 6.507 2.638 4 HG2 PRO 1 1HG PRO 1 -42.059 8.040 0.333 5 HG3 PRO 1 2HG PRO 1 -43.723 7.488 0.681 6 HD2 PRO 1 1HD PRO 1 -42.988 10.166 0.629 7 HD3 PRO 1 2HD PRO 1 -44.350 9.505 1.563 8 H SER 2 H SER 2 -43.031 7.392 5.731 9 HA SER 2 HA SER 2 -40.973 8.754 7.219 10 HB2 SER 2 1HB SER 2 -42.619 6.330 8.012 11 HB3 SER 2 2HB SER 2 -41.826 7.479 9.097 12 HG SER 2 HG SER 2 -43.291 9.082 8.427 13 H SER 3 H SER 3 -40.500 6.209 5.113 14 HA SER 3 HA SER 3 -37.891 5.534 6.173 15 HB2 SER 3 1HB SER 3 -39.474 4.074 7.530 16 HB3 SER 3 2HB SER 3 -39.919 3.274 6.016 17 HG SER 3 HG SER 3 -38.213 2.194 7.177 18 H GLY 4 H GLY 4 -36.882 3.771 4.737 19 HA2 GLY 4 1HA GLY 4 -36.429 2.876 2.594 20 HA3 GLY 4 2HA GLY 4 -37.797 3.778 1.912 21 H SER 5 H SER 5 -36.745 4.782 0.252 22 HA SER 5 HA SER 5 -34.119 5.887 0.407 23 HB2 SER 5 1HB SER 5 -36.269 6.401 -1.676 24 HB3 SER 5 2HB SER 5 -34.520 6.613 -1.874 25 HG SER 5 HG SER 5 -35.263 4.609 -2.752 26 H SER 6 H SER 6 -36.634 7.252 1.997 27 HA SER 6 HA SER 6 -36.331 10.056 1.232 28 HB2 SER 6 1HB SER 6 -37.785 10.419 3.222 29 HB3 SER 6 2HB SER 6 -38.458 9.294 2.035 30 HG SER 6 HG SER 6 -38.674 8.551 4.207 31 H GLY 7 H GLY 7 -34.354 7.973 3.072 32 HA2 GLY 7 1HA GLY 7 -32.698 10.237 3.952 33 HA3 GLY 7 2HA GLY 7 -33.370 9.283 5.257 34 H PHE 8 H PHE 8 -30.580 9.712 4.308 35 HA PHE 8 HA PHE 8 -29.591 6.936 4.337 36 HB2 PHE 8 1HB PHE 8 -28.962 9.125 2.308 37 HB3 PHE 8 2HB PHE 8 -27.966 7.723 2.556 38 HD1 PHE 8 2HD PHE 8 -29.031 5.365 2.231 39 HD2 PHE 8 1HD PHE 8 -30.802 9.020 0.778 40 HE1 PHE 8 2HE PHE 8 -30.375 4.067 0.598 41 HE2 PHE 8 1HE PHE 8 -32.133 7.720 -0.862 42 HZ PHE 8 HZ PHE 8 -31.923 5.240 -0.958 43 H LEU 9 H LEU 9 -27.275 6.871 4.863 44 HA LEU 9 HA LEU 9 -26.016 9.190 6.128 45 HB2 LEU 9 1HB LEU 9 -27.667 8.382 7.806 46 HB3 LEU 9 2HB LEU 9 -26.966 6.769 7.716 47 HG LEU 9 HG LEU 9 -24.855 7.635 8.703 48 HD11 LEU 9 1HD1 LEU 9 -24.916 9.993 7.943 49 HD12 LEU 9 2HD1 LEU 9 -26.369 10.283 8.921 50 HD13 LEU 9 3HD1 LEU 9 -24.817 9.915 9.704 51 HD21 LEU 9 3HD2 LEU 9 -25.742 8.007 10.965 52 HD22 LEU 9 1HD2 LEU 9 -27.356 8.334 10.296 53 HD23 LEU 9 2HD2 LEU 9 -26.633 6.718 10.141 54 H ASP 10 H ASP 10 -23.833 8.863 6.642 55 HA ASP 10 HA ASP 10 -22.478 6.312 6.083 56 HB2 ASP 10 1HB ASP 10 -22.746 7.626 3.899 57 HB3 ASP 10 2HB ASP 10 -21.728 8.864 4.646 58 H LYS 11 H LYS 11 -20.111 6.621 6.415 59 HA LYS 11 HA LYS 11 -19.796 7.655 9.141 60 HB2 LYS 11 1HB LYS 11 -18.460 5.616 7.353 61 HB3 LYS 11 2HB LYS 11 -17.589 6.186 8.764 62 HG2 LYS 11 1HG LYS 11 -20.247 5.595 9.676 63 HG3 LYS 11 2HG LYS 11 -19.791 4.280 8.589 64 HD2 LYS 11 1HD LYS 11 -17.688 3.959 9.902 65 HD3 LYS 11 2HD LYS 11 -18.190 5.281 10.986 66 HE2 LYS 11 1HE LYS 11 -20.246 4.007 11.577 67 HE3 LYS 11 2HE LYS 11 -19.749 2.697 10.498 68 HZ1 LYS 11 3HZ LYS 11 -19.148 2.224 12.795 69 HZ2 LYS 11 1HZ LYS 11 -17.788 2.371 11.903 70 HZ3 LYS 11 2HZ LYS 11 -18.248 3.583 12.902 71 HA PRO 12 HA PRO 12 -17.076 11.001 8.379 72 HB2 PRO 12 1HB PRO 12 -15.476 11.061 10.595 73 HB3 PRO 12 2HB PRO 12 -17.228 11.371 10.644 74 HG2 PRO 12 1HG PRO 12 -15.755 8.782 11.240 75 HG3 PRO 12 2HG PRO 12 -17.031 9.572 12.221 76 HD2 PRO 12 1HD PRO 12 -17.541 7.529 10.463 77 HD3 PRO 12 2HD PRO 12 -18.728 8.813 10.779 78 H THR 13 H THR 13 -14.676 11.670 8.527 79 HA THR 13 HA THR 13 -12.644 9.738 7.814 80 HB THR 13 HB THR 13 -14.069 9.817 5.721 81 HG1 THR 13 1HG THR 13 -12.069 9.248 5.280 82 HG21 THR 13 3HG2 THR 13 -14.163 11.745 4.369 83 HG22 THR 13 1HG2 THR 13 -14.620 12.308 5.972 84 HG23 THR 13 2HG2 THR 13 -12.982 12.631 5.360 85 H LEU 14 H LEU 14 -10.730 10.816 6.918 86 HA LEU 14 HA LEU 14 -10.140 13.355 8.401 87 HB2 LEU 14 1HB LEU 14 -8.243 11.078 7.718 88 HB3 LEU 14 2HB LEU 14 -7.901 12.473 8.717 89 HG LEU 14 HG LEU 14 -10.213 11.152 9.877 90 HD11 LEU 14 1HD1 LEU 14 -9.527 9.151 8.613 91 HD12 LEU 14 2HD1 LEU 14 -7.905 9.244 9.336 92 HD13 LEU 14 3HD1 LEU 14 -9.322 8.932 10.362 93 HD21 LEU 14 3HD2 LEU 14 -8.741 10.897 11.818 94 HD22 LEU 14 1HD2 LEU 14 -7.317 11.265 10.818 95 HD23 LEU 14 2HD2 LEU 14 -8.557 12.510 11.102 96 H LEU 15 H LEU 15 -10.588 12.134 5.318 97 HA LEU 15 HA LEU 15 -8.383 13.581 3.989 98 HB2 LEU 15 1HB LEU 15 -10.671 12.071 2.692 99 HB3 LEU 15 2HB LEU 15 -9.142 12.536 1.970 100 HG LEU 15 HG LEU 15 -9.545 10.399 4.106 101 HD11 LEU 15 1HD1 LEU 15 -10.283 9.794 1.819 102 HD12 LEU 15 2HD1 LEU 15 -8.681 10.228 1.185 103 HD13 LEU 15 3HD1 LEU 15 -8.856 8.865 2.312 104 HD21 LEU 15 3HD2 LEU 15 -7.130 9.885 3.772 105 HD22 LEU 15 1HD2 LEU 15 -6.966 11.341 2.767 106 HD23 LEU 15 2HD2 LEU 15 -7.372 11.480 4.493 107 H SER 16 H SER 16 -9.295 14.470 1.733 108 HA SER 16 HA SER 16 -10.885 16.871 2.371 109 HB2 SER 16 1HB SER 16 -8.841 16.047 0.304 110 HB3 SER 16 2HB SER 16 -9.827 17.442 0.058 111 HG SER 16 HG SER 16 -7.814 17.958 1.113 112 HA PRO 17 HA PRO 17 -14.354 15.687 -0.092 113 HB2 PRO 17 1HB PRO 17 -15.021 17.991 -1.436 114 HB3 PRO 17 2HB PRO 17 -15.264 17.759 0.322 115 HG2 PRO 17 1HG PRO 17 -12.931 19.125 -1.068 116 HG3 PRO 17 2HG PRO 17 -13.898 19.724 0.323 117 HD2 PRO 17 1HD PRO 17 -11.523 18.505 0.709 118 HD3 PRO 17 2HD PRO 17 -12.900 18.202 1.812 119 H GLU 18 H GLU 18 -11.546 17.012 -1.742 120 HA GLU 18 HA GLU 18 -12.383 15.995 -4.366 121 HB2 GLU 18 1HB GLU 18 -10.319 16.969 -5.194 122 HB3 GLU 18 2HB GLU 18 -11.256 18.129 -4.257 123 HG2 GLU 18 1HG GLU 18 -9.755 17.789 -2.308 124 HG3 GLU 18 2HG GLU 18 -8.816 16.608 -3.229 125 H GLU 19 H GLU 19 -10.876 14.568 -1.668 126 HA GLU 19 HA GLU 19 -9.302 12.578 -3.196 127 HB2 GLU 19 1HB GLU 19 -9.852 13.092 -0.257 128 HB3 GLU 19 2HB GLU 19 -9.144 11.591 -0.800 129 HG2 GLU 19 1HG GLU 19 -8.003 14.360 -1.324 130 HG3 GLU 19 2HG GLU 19 -7.527 13.294 0.004 131 H LEU 20 H LEU 20 -12.032 12.713 -0.948 132 HA LEU 20 HA LEU 20 -12.883 10.021 -1.054 133 HB2 LEU 20 1HB LEU 20 -14.529 12.550 -0.640 134 HB3 LEU 20 2HB LEU 20 -15.005 10.946 -0.108 135 HG LEU 20 HG LEU 20 -12.399 12.157 0.907 136 HD11 LEU 20 1HD1 LEU 20 -14.203 13.821 1.110 137 HD12 LEU 20 2HD1 LEU 20 -15.138 12.671 2.090 138 HD13 LEU 20 3HD1 LEU 20 -13.554 13.276 2.670 139 HD21 LEU 20 3HD2 LEU 20 -12.769 10.709 2.793 140 HD22 LEU 20 1HD2 LEU 20 -14.375 10.233 2.189 141 HD23 LEU 20 2HD2 LEU 20 -12.901 9.746 1.320 142 H LYS 21 H LYS 21 -14.236 12.833 -2.797 143 HA LYS 21 HA LYS 21 -15.975 11.332 -4.512 144 HB2 LYS 21 1HB LYS 21 -14.753 14.084 -4.664 145 HB3 LYS 21 2HB LYS 21 -15.580 13.437 -6.064 146 HG2 LYS 21 1HG LYS 21 -17.023 14.853 -4.639 147 HG3 LYS 21 2HG LYS 21 -17.663 13.244 -4.966 148 HD2 LYS 21 1HD LYS 21 -17.151 12.485 -2.721 149 HD3 LYS 21 2HD LYS 21 -16.257 13.976 -2.372 150 HE2 LYS 21 1HE LYS 21 -18.343 15.295 -2.677 151 HE3 LYS 21 2HE LYS 21 -19.231 13.812 -3.049 152 HZ1 LYS 21 3HZ LYS 21 -19.521 14.459 -0.735 153 HZ2 LYS 21 1HZ LYS 21 -18.735 13.030 -0.797 154 HZ3 LYS 21 2HZ LYS 21 -17.913 14.405 -0.453 155 H ALA 22 H ALA 22 -12.487 11.922 -4.881 156 HA ALA 22 HA ALA 22 -12.370 10.913 -7.616 157 HB1 ALA 22 1HB ALA 22 -10.705 12.497 -6.792 158 HB2 ALA 22 2HB ALA 22 -10.189 11.370 -5.523 159 HB3 ALA 22 3HB ALA 22 -9.921 10.973 -7.232 160 H ALA 23 H ALA 23 -11.709 9.455 -4.390 161 HA ALA 23 HA ALA 23 -11.075 6.832 -5.385 162 HB1 ALA 23 1HB ALA 23 -10.482 7.686 -3.125 163 HB2 ALA 23 2HB ALA 23 -12.204 7.715 -2.683 164 HB3 ALA 23 3HB ALA 23 -11.398 6.170 -3.031 165 H SER 24 H SER 24 -14.156 8.253 -4.244 166 HA SER 24 HA SER 24 -15.747 5.900 -4.575 167 HB2 SER 24 1HB SER 24 -16.231 7.933 -3.175 168 HB3 SER 24 2HB SER 24 -16.687 8.785 -4.658 169 HG SER 24 HG SER 24 -18.330 7.172 -4.967 170 H ARG 25 H ARG 25 -14.654 8.218 -6.984 171 HA ARG 25 HA ARG 25 -16.554 7.571 -9.039 172 HB2 ARG 25 1HB ARG 25 -14.937 9.544 -8.940 173 HB3 ARG 25 2HB ARG 25 -13.668 8.426 -9.425 174 HG2 ARG 25 1HG ARG 25 -14.467 9.650 -11.334 175 HG3 ARG 25 2HG ARG 25 -14.916 7.959 -11.541 176 HD2 ARG 25 1HD ARG 25 -17.234 8.473 -10.869 177 HD3 ARG 25 2HD ARG 25 -16.771 10.150 -10.506 178 HE ARG 25 HE ARG 25 -16.081 9.515 -13.208 179 HH11 ARG 25 1HH1 ARG 25 -18.977 10.173 -11.281 180 HH12 ARG 25 2HH1 ARG 25 -19.864 10.772 -12.651 181 HH21 ARG 25 1HH2 ARG 25 -17.283 10.300 -14.932 182 HH22 ARG 25 2HH2 ARG 25 -18.916 10.841 -14.687 183 H GLY 26 H GLY 26 -13.716 5.931 -7.812 184 HA2 GLY 26 1HA GLY 26 -13.709 3.806 -9.894 185 HA3 GLY 26 2HA GLY 26 -12.663 3.921 -8.456 186 H ASN 27 H ASN 27 -13.940 3.854 -6.336 187 HA ASN 27 HA ASN 27 -16.475 2.552 -6.215 188 HB2 ASN 27 1HB ASN 27 -15.117 0.545 -6.887 189 HB3 ASN 27 2HB ASN 27 -14.138 0.761 -5.441 190 HD21 ASN 27 2HD2 ASN 27 -14.714 -1.106 -4.312 191 HD22 ASN 27 1HD2 ASN 27 -16.361 -1.421 -3.776 192 H GLY 28 H GLY 28 -13.511 3.507 -4.521 193 HA2 GLY 28 1HA GLY 28 -13.527 4.937 -2.627 194 HA3 GLY 28 2HA GLY 28 -15.100 4.292 -2.114 195 H GLU 29 H GLU 29 -13.292 1.657 -2.942 196 HA GLU 29 HA GLU 29 -12.376 1.069 -0.189 197 HB2 GLU 29 1HB GLU 29 -13.360 -0.485 -2.419 198 HB3 GLU 29 2HB GLU 29 -11.727 -0.972 -2.089 199 HG2 GLU 29 1HG GLU 29 -13.325 -2.332 -0.789 200 HG3 GLU 29 2HG GLU 29 -12.297 -1.391 0.287 201 H TYR 30 H TYR 30 -10.245 -0.355 -0.276 202 HA TYR 30 HA TYR 30 -8.136 0.385 -2.057 203 HB2 TYR 30 1HB TYR 30 -6.783 1.751 -0.639 204 HB3 TYR 30 2HB TYR 30 -8.333 2.538 -0.826 205 HD1 TYR 30 1HD TYR 30 -10.119 2.057 1.067 206 HD2 TYR 30 2HD TYR 30 -5.892 1.346 1.503 207 HE1 TYR 30 1HE TYR 30 -10.368 2.112 3.552 208 HE2 TYR 30 2HE TYR 30 -6.136 1.361 3.986 209 HH TYR 30 HH TYR 30 -9.300 1.918 5.586 210 H ALA 31 H ALA 31 -6.217 -0.684 -1.678 211 HA ALA 31 HA ALA 31 -5.787 -2.337 0.721 212 HB1 ALA 31 1HB ALA 31 -7.091 -3.903 -0.510 213 HB2 ALA 31 2HB ALA 31 -6.362 -3.452 -2.059 214 HB3 ALA 31 3HB ALA 31 -5.422 -4.362 -0.848 215 H TRP 32 H TRP 32 -3.661 -3.094 0.900 216 HA TRP 32 HA TRP 32 -1.622 -1.805 -0.877 217 HB2 TRP 32 1HB TRP 32 -1.606 -2.490 2.080 218 HB3 TRP 32 2HB TRP 32 -0.132 -2.270 1.159 219 HD1 TRP 32 HD TRP 32 -3.308 -0.114 1.773 220 HE1 TRP 32 1HE TRP 32 -2.566 2.350 1.992 221 HE3 TRP 32 3HE TRP 32 1.736 -0.684 0.999 222 HZ2 TRP 32 2HZ TRP 32 -0.066 3.781 2.269 223 HZ3 TRP 32 3HZ TRP 32 3.250 1.296 1.249 224 HH2 TRP 32 HH TRP 32 2.355 3.456 1.909 225 H TYR 33 H TYR 33 0.107 -3.009 -1.562 226 HA TYR 33 HA TYR 33 0.077 -5.961 -1.204 227 HB2 TYR 33 1HB TYR 33 0.009 -4.401 -3.808 228 HB3 TYR 33 2HB TYR 33 0.535 -6.069 -3.718 229 HD1 TYR 33 2HD TYR 33 -2.411 -3.826 -3.159 230 HD2 TYR 33 1HD TYR 33 -1.003 -7.863 -3.766 231 HE1 TYR 33 2HE TYR 33 -4.759 -4.597 -3.410 232 HE2 TYR 33 1HE TYR 33 -3.354 -8.635 -4.030 233 HH TYR 33 HH TYR 33 -6.147 -6.396 -3.803 234 H TYR 34 H TYR 34 2.056 -7.003 -1.520 235 HA TYR 34 HA TYR 34 4.490 -5.336 -1.999 236 HB2 TYR 34 1HB TYR 34 5.605 -6.319 -0.128 237 HB3 TYR 34 2HB TYR 34 4.094 -5.636 0.438 238 HD1 TYR 34 1HD TYR 34 2.200 -7.146 1.117 239 HD2 TYR 34 2HD TYR 34 6.072 -8.692 0.012 240 HE1 TYR 34 1HE TYR 34 1.614 -9.335 2.132 241 HE2 TYR 34 2HE TYR 34 5.493 -10.881 1.028 242 HH TYR 34 HH TYR 34 3.893 -12.111 2.138 243 H GLU 35 H GLU 35 6.306 -6.449 -2.890 244 HA GLU 35 HA GLU 35 5.693 -8.902 -4.376 245 HB2 GLU 35 1HB GLU 35 8.303 -7.372 -4.048 246 HB3 GLU 35 2HB GLU 35 8.064 -8.802 -5.062 247 HG2 GLU 35 1HG GLU 35 6.185 -7.488 -6.228 248 HG3 GLU 35 2HG GLU 35 6.831 -6.058 -5.409 249 H GLY 36 H GLY 36 5.574 -10.776 -3.390 250 HA2 GLY 36 1HA GLY 36 7.390 -11.586 -1.153 251 HA3 GLY 36 2HA GLY 36 5.966 -12.451 -1.745 252 H ARG 37 H ARG 37 7.068 -14.399 -1.976 253 HA ARG 37 HA ARG 37 9.451 -14.672 -3.625 254 HB2 ARG 37 1HB ARG 37 8.872 -16.141 -1.699 255 HB3 ARG 37 2HB ARG 37 7.493 -16.768 -2.607 256 HG2 ARG 37 1HG ARG 37 9.124 -17.607 -4.370 257 HG3 ARG 37 2HG ARG 37 10.446 -17.014 -3.354 258 HD2 ARG 37 1HD ARG 37 10.200 -19.378 -2.984 259 HD3 ARG 37 2HD ARG 37 9.650 -18.540 -1.520 260 HE ARG 37 HE ARG 37 7.433 -18.972 -3.288 261 HH11 ARG 37 1HH1 ARG 37 9.488 -20.909 -1.150 262 HH12 ARG 37 2HH1 ARG 37 8.241 -22.094 -0.899 263 HH21 ARG 37 1HH2 ARG 37 5.900 -20.479 -2.916 264 HH22 ARG 37 2HH2 ARG 37 6.219 -21.858 -1.899 265 H ASN 38 H ASN 38 5.989 -15.311 -4.131 266 HA ASN 38 HA ASN 38 6.493 -16.190 -6.927 267 HB2 ASN 38 1HB ASN 38 4.203 -16.669 -4.997 268 HB3 ASN 38 2HB ASN 38 4.161 -17.152 -6.688 269 HD21 ASN 38 2HD2 ASN 38 5.355 -18.988 -7.356 270 HD22 ASN 38 1HD2 ASN 38 6.192 -19.995 -6.190 271 H GLY 39 H GLY 39 5.343 -13.337 -5.457 272 HA2 GLY 39 1HA GLY 39 4.942 -11.777 -7.638 273 HA3 GLY 39 2HA GLY 39 3.399 -12.611 -7.548 274 H TRP 40 H TRP 40 2.487 -10.463 -7.239 275 HA TRP 40 HA TRP 40 2.961 -8.975 -4.799 276 HB2 TRP 40 1HB TRP 40 0.711 -8.836 -6.837 277 HB3 TRP 40 2HB TRP 40 1.009 -7.672 -5.554 278 HD1 TRP 40 HD TRP 40 2.117 -8.637 -9.008 279 HE1 TRP 40 1HE TRP 40 3.848 -6.988 -9.910 280 HE3 TRP 40 3HE TRP 40 3.016 -5.989 -4.713 281 HZ2 TRP 40 2HZ TRP 40 5.344 -4.709 -8.930 282 HZ3 TRP 40 3HZ TRP 40 4.593 -4.073 -4.741 283 HH2 TRP 40 HH TRP 40 5.747 -3.420 -6.835 284 H TRP 41 H TRP 41 2.050 -9.251 -2.862 285 HA TRP 41 HA TRP 41 -0.456 -10.862 -2.572 286 HB2 TRP 41 1HB TRP 41 2.027 -10.948 -0.819 287 HB3 TRP 41 2HB TRP 41 0.521 -11.818 -0.517 288 HD1 TRP 41 HD TRP 41 3.783 -12.440 -1.851 289 HE1 TRP 41 1HE TRP 41 3.873 -14.383 -3.534 290 HE3 TRP 41 3HE TRP 41 -1.228 -13.004 -2.701 291 HZ2 TRP 41 2HZ TRP 41 2.021 -15.794 -5.243 292 HZ3 TRP 41 3HZ TRP 41 -2.039 -14.589 -4.391 293 HH2 TRP 41 HH TRP 41 -0.433 -16.005 -5.685 294 H GLN 42 H GLN 42 -1.894 -10.237 -0.993 295 HA GLN 42 HA GLN 42 -1.806 -7.376 -0.392 296 HB2 GLN 42 1HB GLN 42 -3.807 -8.732 -1.290 297 HB3 GLN 42 2HB GLN 42 -3.981 -9.360 0.354 298 HG2 GLN 42 1HG GLN 42 -4.127 -6.937 1.142 299 HG3 GLN 42 2HG GLN 42 -4.146 -6.446 -0.549 300 HE21 GLN 42 2HE2 GLN 42 -6.239 -6.245 1.696 301 HE22 GLN 42 1HE2 GLN 42 -7.664 -6.970 0.970 302 H TYR 43 H TYR 43 -1.692 -6.409 1.608 303 HA TYR 43 HA TYR 43 -0.714 -7.862 3.942 304 HB2 TYR 43 1HB TYR 43 -1.681 -5.034 3.447 305 HB3 TYR 43 2HB TYR 43 -1.160 -5.581 5.032 306 HD1 TYR 43 1HD TYR 43 1.208 -6.217 5.466 307 HD2 TYR 43 2HD TYR 43 -0.086 -4.568 1.716 308 HE1 TYR 43 1HE TYR 43 3.552 -5.583 4.936 309 HE2 TYR 43 2HE TYR 43 2.245 -3.907 1.172 310 HH TYR 43 HH TYR 43 4.390 -3.971 1.839 311 H ASP 44 H ASP 44 -1.747 -7.731 6.064 312 HA ASP 44 HA ASP 44 -4.619 -8.402 6.059 313 HB2 ASP 44 1HB ASP 44 -2.738 -9.419 7.520 314 HB3 ASP 44 2HB ASP 44 -2.897 -7.975 8.515 315 H GLU 45 H GLU 45 -6.098 -7.243 7.419 316 HA GLU 45 HA GLU 45 -6.103 -4.402 6.744 317 HB2 GLU 45 1HB GLU 45 -8.326 -4.357 7.761 318 HB3 GLU 45 2HB GLU 45 -8.157 -5.632 6.556 319 HG2 GLU 45 1HG GLU 45 -7.951 -7.330 8.323 320 HG3 GLU 45 2HG GLU 45 -7.984 -6.079 9.566 321 H ARG 46 H ARG 46 -5.106 -6.178 9.533 322 HA ARG 46 HA ARG 46 -5.194 -4.031 11.493 323 HB2 ARG 46 1HB ARG 46 -3.419 -6.509 11.301 324 HB3 ARG 46 2HB ARG 46 -3.381 -5.348 12.624 325 HG2 ARG 46 1HG ARG 46 -4.708 -7.020 13.446 326 HG3 ARG 46 2HG ARG 46 -5.869 -5.771 12.943 327 HD2 ARG 46 1HD ARG 46 -6.410 -7.055 10.932 328 HD3 ARG 46 2HD ARG 46 -5.097 -8.193 11.295 329 HE ARG 46 HE ARG 46 -6.941 -8.144 13.469 330 HH11 ARG 46 1HH1 ARG 46 -6.737 -9.300 10.122 331 HH12 ARG 46 2HH1 ARG 46 -7.938 -10.539 10.383 332 HH21 ARG 46 1HH2 ARG 46 -8.470 -9.780 13.740 333 HH22 ARG 46 2HH2 ARG 46 -8.896 -10.809 12.406 334 H THR 47 H THR 47 -2.941 -5.164 9.133 335 HA THR 47 HA THR 47 -0.760 -3.332 9.823 336 HB THR 47 HB THR 47 -0.976 -5.457 7.651 337 HG1 THR 47 1HG THR 47 0.278 -6.588 9.224 338 HG21 THR 47 3HG2 THR 47 1.543 -5.329 7.777 339 HG22 THR 47 1HG2 THR 47 0.771 -3.909 7.045 340 HG23 THR 47 2HG2 THR 47 1.353 -3.817 8.716 341 H SER 48 H SER 48 -2.773 -3.796 6.831 342 HA SER 48 HA SER 48 -1.409 -1.806 5.341 343 HB2 SER 48 1HB SER 48 -3.327 -1.851 3.841 344 HB3 SER 48 2HB SER 48 -2.846 -3.484 4.323 345 HG SER 48 HG SER 48 -5.139 -3.181 4.419 346 H ARG 49 H ARG 49 -4.073 -1.424 7.641 347 HA ARG 49 HA ARG 49 -4.707 1.261 6.961 348 HB2 ARG 49 1HB ARG 49 -5.989 1.362 8.905 349 HB3 ARG 49 2HB ARG 49 -6.088 -0.285 8.321 350 HG2 ARG 49 1HG ARG 49 -5.857 -0.608 10.590 351 HG3 ARG 49 2HG ARG 49 -4.231 -0.857 9.996 352 HD2 ARG 49 1HD ARG 49 -4.406 0.415 12.169 353 HD3 ARG 49 2HD ARG 49 -3.480 1.213 10.923 354 HE ARG 49 HE ARG 49 -6.323 1.978 11.160 355 HH11 ARG 49 1HH1 ARG 49 -2.997 2.877 12.078 356 HH12 ARG 49 2HH1 ARG 49 -3.379 4.592 11.992 357 HH21 ARG 49 1HH2 ARG 49 -6.720 4.207 11.256 358 HH22 ARG 49 2HH2 ARG 49 -5.425 5.288 11.692 359 H GLU 50 H GLU 50 -1.981 -0.035 8.820 360 HA GLU 50 HA GLU 50 -1.337 2.484 10.142 361 HB2 GLU 50 1HB GLU 50 0.460 0.114 9.476 362 HB3 GLU 50 2HB GLU 50 0.867 1.425 10.569 363 HG2 GLU 50 1HG GLU 50 -1.515 -0.417 11.050 364 HG3 GLU 50 2HG GLU 50 0.112 -0.774 11.609 365 H LEU 51 H LEU 51 -0.533 0.946 7.094 366 HA LEU 51 HA LEU 51 1.559 2.761 6.265 367 HB2 LEU 51 1HB LEU 51 -0.110 0.924 4.512 368 HB3 LEU 51 2HB LEU 51 1.549 1.453 4.266 369 HG LEU 51 HG LEU 51 0.585 -0.497 6.402 370 HD11 LEU 51 1HD1 LEU 51 0.498 -1.387 4.123 371 HD12 LEU 51 2HD1 LEU 51 2.222 -0.999 3.901 372 HD13 LEU 51 3HD1 LEU 51 1.715 -2.199 5.118 373 HD21 LEU 51 3HD2 LEU 51 3.013 -0.889 6.817 374 HD22 LEU 51 1HD2 LEU 51 3.379 0.484 5.747 375 HD23 LEU 51 2HD2 LEU 51 2.511 0.742 7.269 376 H GLU 52 H GLU 52 -1.891 2.363 5.423 377 HA GLU 52 HA GLU 52 -2.051 4.669 3.742 378 HB2 GLU 52 1HB GLU 52 -3.660 2.655 3.925 379 HB3 GLU 52 2HB GLU 52 -4.309 3.440 5.357 380 HG2 GLU 52 1HG GLU 52 -5.755 4.032 3.608 381 HG3 GLU 52 2HG GLU 52 -4.820 5.475 3.892 382 H ASP 53 H ASP 53 -2.204 4.403 7.290 383 HA ASP 53 HA ASP 53 -3.438 7.019 7.647 384 HB2 ASP 53 1HB ASP 53 -3.580 5.029 9.185 385 HB3 ASP 53 2HB ASP 53 -1.910 5.297 9.644 386 H ALA 54 H ALA 54 -0.212 5.677 7.712 387 HA ALA 54 HA ALA 54 1.290 7.737 8.858 388 HB1 ALA 54 1HB ALA 54 2.177 5.564 8.492 389 HB2 ALA 54 2HB ALA 54 1.974 5.688 6.730 390 HB3 ALA 54 3HB ALA 54 3.192 6.688 7.555 391 H PHE 55 H PHE 55 0.776 7.409 5.276 392 HA PHE 55 HA PHE 55 2.108 9.916 4.754 393 HB2 PHE 55 1HB PHE 55 1.740 9.524 2.559 394 HB3 PHE 55 2HB PHE 55 1.564 7.887 3.158 395 HD1 PHE 55 1HD PHE 55 -0.791 6.948 3.520 396 HD2 PHE 55 2HD PHE 55 -0.036 10.645 1.441 397 HE1 PHE 55 1HE PHE 55 -3.043 6.829 2.471 398 HE2 PHE 55 2HE PHE 55 -2.280 10.511 0.380 399 HZ PHE 55 HZ PHE 55 -3.786 8.595 0.894 400 H SER 56 H SER 56 -1.078 9.125 5.757 401 HA SER 56 HA SER 56 -2.345 11.680 5.082 402 HB2 SER 56 1HB SER 56 -3.425 9.323 5.452 403 HB3 SER 56 2HB SER 56 -3.368 9.747 7.167 404 HG SER 56 HG SER 56 -5.350 10.381 6.170 405 H LYS 57 H LYS 57 -0.639 10.336 7.914 406 HA LYS 57 HA LYS 57 -1.192 12.577 9.704 407 HB2 LYS 57 1HB LYS 57 0.837 10.319 9.656 408 HB3 LYS 57 2HB LYS 57 0.802 11.536 10.931 409 HG2 LYS 57 1HG LYS 57 -1.187 10.770 11.853 410 HG3 LYS 57 2HG LYS 57 -1.755 10.046 10.347 411 HD2 LYS 57 1HD LYS 57 -1.094 8.307 11.988 412 HD3 LYS 57 2HD LYS 57 -0.181 8.247 10.495 413 HE2 LYS 57 1HE LYS 57 1.563 7.984 11.930 414 HE3 LYS 57 2HE LYS 57 1.588 9.730 11.802 415 HZ1 LYS 57 3HZ LYS 57 1.664 9.066 14.129 416 HZ2 LYS 57 1HZ LYS 57 0.262 9.856 13.855 417 HZ3 LYS 57 2HZ LYS 57 0.268 8.228 13.999 418 H GLY 58 H GLY 58 1.521 11.679 7.553 419 HA2 GLY 58 1HA GLY 58 2.465 13.635 6.279 420 HA3 GLY 58 2HA GLY 58 2.697 14.437 7.845 421 H LYS 59 H LYS 59 3.386 11.268 8.555 422 HA LYS 59 HA LYS 59 6.252 11.636 8.328 423 HB2 LYS 59 1HB LYS 59 6.334 9.226 9.085 424 HB3 LYS 59 2HB LYS 59 5.560 10.353 10.187 425 HG2 LYS 59 1HG LYS 59 3.368 9.576 9.666 426 HG3 LYS 59 2HG LYS 59 3.954 8.723 8.231 427 HD2 LYS 59 1HD LYS 59 3.411 7.182 10.083 428 HD3 LYS 59 2HD LYS 59 5.081 7.083 9.571 429 HE2 LYS 59 1HE LYS 59 5.766 8.506 11.508 430 HE3 LYS 59 2HE LYS 59 4.085 8.551 12.049 431 HZ1 LYS 59 3HZ LYS 59 5.306 6.816 13.203 432 HZ2 LYS 59 1HZ LYS 59 4.200 6.087 12.239 433 HZ3 LYS 59 2HZ LYS 59 5.772 6.117 11.804 434 H LYS 60 H LYS 60 7.716 10.451 7.128 435 HA LYS 60 HA LYS 60 6.779 9.728 4.391 436 HB2 LYS 60 1HB LYS 60 8.881 10.350 3.598 437 HB3 LYS 60 2HB LYS 60 8.445 11.572 4.790 438 HG2 LYS 60 1HG LYS 60 9.935 10.302 6.435 439 HG3 LYS 60 2HG LYS 60 10.480 9.335 5.050 440 HD2 LYS 60 1HD LYS 60 11.151 11.499 3.909 441 HD3 LYS 60 2HD LYS 60 10.694 12.360 5.374 442 HE2 LYS 60 1HE LYS 60 13.072 12.093 5.380 443 HE3 LYS 60 2HE LYS 60 12.408 11.086 6.669 444 HZ1 LYS 60 3HZ LYS 60 14.152 10.001 5.260 445 HZ2 LYS 60 1HZ LYS 60 12.756 9.152 5.284 446 HZ3 LYS 60 2HZ LYS 60 13.132 10.046 3.973 447 H ASN 61 H ASN 61 7.370 8.063 7.138 448 HA ASN 61 HA ASN 61 7.425 5.561 5.858 449 HB2 ASN 61 1HB ASN 61 9.546 4.626 6.640 450 HB3 ASN 61 2HB ASN 61 9.860 5.980 5.568 451 HD21 ASN 61 2HD2 ASN 61 10.303 8.079 6.593 452 HD22 ASN 61 1HD2 ASN 61 11.188 8.115 8.110 453 H THR 62 H THR 62 7.113 3.840 7.313 454 HA THR 62 HA THR 62 6.618 4.433 10.173 455 HB THR 62 HB THR 62 4.571 5.054 8.861 456 HG1 THR 62 1HG THR 62 3.295 3.943 10.469 457 HG21 THR 62 3HG2 THR 62 3.017 3.223 8.285 458 HG22 THR 62 1HG2 THR 62 4.458 3.186 7.262 459 HG23 THR 62 2HG2 THR 62 4.280 2.019 8.594 460 H GLU 63 H GLU 63 5.557 2.243 11.126 461 HA GLU 63 HA GLU 63 7.439 0.049 10.357 462 HB2 GLU 63 1HB GLU 63 6.921 1.348 13.054 463 HB3 GLU 63 2HB GLU 63 7.648 -0.252 12.885 464 HG2 GLU 63 1HG GLU 63 9.432 0.664 11.486 465 HG3 GLU 63 2HG GLU 63 8.759 2.290 11.622 466 H MET 64 H MET 64 6.804 -1.990 10.671 467 HA MET 64 HA MET 64 4.174 -2.667 11.832 468 HB2 MET 64 1HB MET 64 3.487 -3.794 9.706 469 HB3 MET 64 2HB MET 64 3.496 -2.031 9.608 470 HG2 MET 64 1HG MET 64 5.541 -2.013 8.348 471 HG3 MET 64 2HG MET 64 5.877 -3.694 8.740 472 HE1 MET 64 3HE MET 64 5.706 -4.453 5.197 473 HE2 MET 64 1HE MET 64 6.665 -3.615 6.442 474 HE3 MET 64 2HE MET 64 6.009 -5.230 6.765 475 H LEU 65 H LEU 65 3.816 -4.855 12.128 476 HA LEU 65 HA LEU 65 6.234 -6.568 12.216 477 HB2 LEU 65 1HB LEU 65 4.454 -5.815 14.246 478 HB3 LEU 65 2HB LEU 65 3.800 -7.353 13.750 479 HG LEU 65 HG LEU 65 5.262 -7.611 15.618 480 HD11 LEU 65 1HD1 LEU 65 5.287 -9.471 14.023 481 HD12 LEU 65 2HD1 LEU 65 6.723 -8.771 13.237 482 HD13 LEU 65 3HD1 LEU 65 6.810 -9.319 14.915 483 HD21 LEU 65 3HD2 LEU 65 7.605 -6.995 15.642 484 HD22 LEU 65 1HD2 LEU 65 7.525 -6.460 13.952 485 HD23 LEU 65 2HD2 LEU 65 6.620 -5.582 15.200 486 H ILE 66 H ILE 66 6.199 -8.525 11.393 487 HA ILE 66 HA ILE 66 3.824 -9.442 9.761 488 HB ILE 66 HB ILE 66 5.226 -10.250 8.066 489 HG12 ILE 66 1HG1 ILE 66 7.764 -8.996 8.752 490 HG13 ILE 66 2HG1 ILE 66 7.341 -10.123 10.011 491 HG21 ILE 66 1HG2 ILE 66 4.394 -7.907 8.033 492 HG22 ILE 66 2HG2 ILE 66 5.950 -7.358 8.678 493 HG23 ILE 66 3HG2 ILE 66 5.869 -8.162 7.093 494 HD11 ILE 66 3HD1 ILE 66 8.705 -11.090 8.102 495 HD12 ILE 66 1HD1 ILE 66 7.255 -11.992 8.528 496 HD13 ILE 66 2HD1 ILE 66 7.251 -10.961 7.093 497 H ALA 67 H ALA 67 5.197 -11.946 9.041 498 HA ALA 67 HA ALA 67 4.215 -13.673 11.021 499 HB1 ALA 67 1HB ALA 67 4.611 -14.198 8.608 500 HB2 ALA 67 2HB ALA 67 6.370 -14.130 8.898 501 HB3 ALA 67 3HB ALA 67 5.388 -15.388 9.675 502 H GLY 68 H GLY 68 7.241 -11.980 11.120 503 HA2 GLY 68 1HA GLY 68 7.895 -12.951 13.720 504 HA3 GLY 68 2HA GLY 68 8.877 -13.810 12.553 505 H PHE 69 H PHE 69 8.171 -10.481 11.718 506 HA PHE 69 HA PHE 69 10.800 -9.503 12.652 507 HB2 PHE 69 1HB PHE 69 10.052 -9.797 9.710 508 HB3 PHE 69 2HB PHE 69 11.446 -8.930 10.310 509 HD1 PHE 69 1HD PHE 69 13.347 -10.138 11.392 510 HD2 PHE 69 2HD PHE 69 10.075 -12.245 9.527 511 HE1 PHE 69 1HE PHE 69 14.718 -12.207 11.310 512 HE2 PHE 69 2HE PHE 69 11.453 -14.303 9.440 513 HZ PHE 69 HZ PHE 69 13.775 -14.290 10.331 514 H LEU 70 H LEU 70 11.082 -7.289 12.514 515 HA LEU 70 HA LEU 70 8.687 -5.597 12.036 516 HB2 LEU 70 1HB LEU 70 10.218 -5.442 14.127 517 HB3 LEU 70 2HB LEU 70 11.431 -4.792 13.038 518 HG LEU 70 HG LEU 70 10.455 -3.003 14.220 519 HD11 LEU 70 1HD1 LEU 70 10.804 -2.626 11.710 520 HD12 LEU 70 2HD1 LEU 70 9.028 -2.723 11.574 521 HD13 LEU 70 3HD1 LEU 70 9.774 -1.484 12.579 522 HD21 LEU 70 3HD2 LEU 70 8.032 -2.440 14.138 523 HD22 LEU 70 1HD2 LEU 70 7.720 -3.998 13.343 524 HD23 LEU 70 2HD2 LEU 70 8.385 -3.957 14.988 525 H TYR 71 H TYR 71 8.462 -4.611 10.181 526 HA TYR 71 HA TYR 71 10.818 -4.054 8.415 527 HB2 TYR 71 1HB TYR 71 8.031 -4.804 7.636 528 HB3 TYR 71 2HB TYR 71 9.240 -4.200 6.500 529 HD1 TYR 71 2HD TYR 71 11.652 -5.860 7.663 530 HD2 TYR 71 1HD TYR 71 7.608 -6.870 6.566 531 HE1 TYR 71 2HE TYR 71 12.336 -8.207 7.289 532 HE2 TYR 71 1HE TYR 71 8.258 -9.210 6.277 533 HH TYR 71 HH TYR 71 10.041 -10.743 6.242 534 H VAL 72 H VAL 72 11.145 -2.106 7.722 535 HA VAL 72 HA VAL 72 9.462 0.110 8.716 536 HB VAL 72 HB VAL 72 12.160 0.214 7.339 537 HG11 VAL 72 1HG1 VAL 72 10.892 2.344 7.136 538 HG12 VAL 72 2HG1 VAL 72 10.613 2.346 8.891 539 HG13 VAL 72 3HG1 VAL 72 12.255 2.528 8.245 540 HG21 VAL 72 3HG2 VAL 72 13.084 0.690 9.589 541 HG22 VAL 72 1HG2 VAL 72 11.495 0.345 10.306 542 HG23 VAL 72 2HG2 VAL 72 12.409 -0.936 9.479 543 H ALA 73 H ALA 73 7.830 0.566 7.446 544 HA ALA 73 HA ALA 73 7.785 0.205 4.544 545 HB1 ALA 73 1HB ALA 73 5.872 -0.323 6.094 546 HB2 ALA 73 2HB ALA 73 5.743 1.396 6.467 547 HB3 ALA 73 3HB ALA 73 5.454 0.839 4.802 548 H ASP 74 H ASP 74 9.079 1.596 3.509 549 HA ASP 74 HA ASP 74 9.086 4.476 4.131 550 HB2 ASP 74 1HB ASP 74 11.191 3.290 3.713 551 HB3 ASP 74 2HB ASP 74 10.624 2.818 2.115 552 H LEU 75 H LEU 75 7.618 5.766 3.314 553 HA LEU 75 HA LEU 75 5.949 5.118 1.018 554 HB2 LEU 75 1HB LEU 75 6.240 7.507 2.887 555 HB3 LEU 75 2HB LEU 75 5.144 7.533 1.538 556 HG LEU 75 HG LEU 75 4.895 5.266 3.549 557 HD11 LEU 75 1HD1 LEU 75 4.901 7.245 4.966 558 HD12 LEU 75 2HD1 LEU 75 3.809 8.101 3.858 559 HD13 LEU 75 3HD1 LEU 75 3.230 6.694 4.772 560 HD21 LEU 75 3HD2 LEU 75 2.535 5.442 2.825 561 HD22 LEU 75 1HD2 LEU 75 2.985 6.731 1.691 562 HD23 LEU 75 2HD2 LEU 75 3.659 5.098 1.488 563 H GLU 76 H GLU 76 8.968 6.860 1.431 564 HA GLU 76 HA GLU 76 8.683 8.714 -0.733 565 HB2 GLU 76 1HB GLU 76 11.270 7.510 0.340 566 HB3 GLU 76 2HB GLU 76 11.081 8.929 -0.659 567 HG2 GLU 76 1HG GLU 76 9.609 9.783 1.379 568 HG3 GLU 76 2HG GLU 76 10.440 8.514 2.265 569 H ASN 77 H ASN 77 10.300 5.551 -0.552 570 HA ASN 77 HA ASN 77 10.711 5.426 -3.495 571 HB2 ASN 77 1HB ASN 77 11.710 3.701 -1.188 572 HB3 ASN 77 2HB ASN 77 12.168 3.505 -2.875 573 HD21 ASN 77 2HD2 ASN 77 12.312 5.864 -0.128 574 HD22 ASN 77 1HD2 ASN 77 13.825 6.584 -0.671 575 H MET 78 H MET 78 8.474 4.443 -1.206 576 HA MET 78 HA MET 78 6.851 2.841 -0.940 577 HB2 MET 78 1HB MET 78 7.090 2.504 -3.953 578 HB3 MET 78 2HB MET 78 5.834 1.800 -2.954 579 HG2 MET 78 1HG MET 78 6.093 4.725 -2.562 580 HG3 MET 78 2HG MET 78 5.752 4.256 -4.214 581 HE1 MET 78 3HE MET 78 2.974 3.450 -0.613 582 HE2 MET 78 1HE MET 78 4.518 2.597 -0.774 583 HE3 MET 78 2HE MET 78 4.496 4.365 -0.560 584 H VAL 79 H VAL 79 8.730 1.808 0.268 585 HA VAL 79 HA VAL 79 9.078 -0.974 -0.716 586 HB VAL 79 HB VAL 79 11.492 -1.022 -0.392 587 HG11 VAL 79 1HG1 VAL 79 10.664 -0.610 -2.674 588 HG12 VAL 79 2HG1 VAL 79 10.822 1.141 -2.401 589 HG13 VAL 79 3HG1 VAL 79 12.252 0.104 -2.380 590 HG21 VAL 79 3HG2 VAL 79 12.791 1.134 -0.240 591 HG22 VAL 79 1HG2 VAL 79 11.269 1.967 0.091 592 HG23 VAL 79 2HG2 VAL 79 11.874 0.734 1.213 593 H GLN 80 H GLN 80 9.808 -2.514 0.777 594 HA GLN 80 HA GLN 80 9.720 -1.777 3.667 595 HB2 GLN 80 1HB GLN 80 9.225 -4.405 2.177 596 HB3 GLN 80 2HB GLN 80 9.164 -4.220 3.931 597 HG2 GLN 80 1HG GLN 80 7.364 -2.799 1.944 598 HG3 GLN 80 2HG GLN 80 6.930 -4.237 2.857 599 HE21 GLN 80 2HE2 GLN 80 5.161 -2.315 3.256 600 HE22 GLN 80 1HE2 GLN 80 5.462 -1.487 4.768 601 H TYR 81 H TYR 81 11.385 -2.272 4.963 602 HA TYR 81 HA TYR 81 13.306 -4.362 4.286 603 HB2 TYR 81 1HB TYR 81 15.281 -2.826 4.694 604 HB3 TYR 81 2HB TYR 81 14.469 -2.702 3.152 605 HD1 TYR 81 1HD TYR 81 14.567 -1.021 6.543 606 HD2 TYR 81 2HD TYR 81 13.802 -0.632 2.317 607 HE1 TYR 81 1HE TYR 81 14.413 1.437 6.800 608 HE2 TYR 81 2HE TYR 81 13.657 1.829 2.561 609 HH TYR 81 HH TYR 81 14.078 3.459 5.741 610 H ARG 82 H ARG 82 14.609 -5.042 6.065 611 HA ARG 82 HA ARG 82 13.367 -4.741 8.684 612 HB2 ARG 82 1HB ARG 82 14.383 -6.848 7.791 613 HB3 ARG 82 2HB ARG 82 15.978 -6.099 7.880 614 HG2 ARG 82 1HG ARG 82 15.734 -5.866 10.340 615 HG3 ARG 82 2HG ARG 82 14.096 -6.549 10.247 616 HD2 ARG 82 1HD ARG 82 15.024 -8.666 9.370 617 HD3 ARG 82 2HD ARG 82 16.660 -7.973 9.417 618 HE ARG 82 HE ARG 82 15.404 -7.782 11.996 619 HH11 ARG 82 1HH1 ARG 82 16.967 -10.187 9.923 620 HH12 ARG 82 2HH1 ARG 82 17.475 -11.154 11.275 621 HH21 ARG 82 1HH2 ARG 82 16.069 -9.091 13.693 622 HH22 ARG 82 2HH2 ARG 82 16.955 -10.549 13.375 623 H ARG 83 H ARG 83 14.117 -3.574 10.448 624 HA ARG 83 HA ARG 83 15.165 -1.065 10.122 625 HB2 ARG 83 1HB ARG 83 15.238 -2.888 12.550 626 HB3 ARG 83 2HB ARG 83 15.800 -1.215 12.612 627 HG2 ARG 83 1HG ARG 83 13.615 -0.358 11.979 628 HG3 ARG 83 2HG ARG 83 13.003 -2.000 11.724 629 HD2 ARG 83 1HD ARG 83 12.250 -1.081 13.897 630 HD3 ARG 83 2HD ARG 83 13.209 -2.539 14.074 631 HE ARG 83 HE ARG 83 14.951 -1.349 15.057 632 HH11 ARG 83 1HH1 ARG 83 12.356 0.964 14.252 633 HH12 ARG 83 2HH1 ARG 83 13.184 2.256 15.070 634 HH21 ARG 83 1HH2 ARG 83 15.889 0.360 16.124 635 HH22 ARG 83 2HH2 ARG 83 15.112 1.912 16.146 636 H ASN 84 H ASN 84 17.192 -3.924 10.789 637 HA ASN 84 HA ASN 84 19.638 -2.267 10.917 638 HB2 ASN 84 1HB ASN 84 19.015 -4.049 12.601 639 HB3 ASN 84 2HB ASN 84 19.322 -5.250 11.346 640 HD21 ASN 84 2HD2 ASN 84 21.402 -6.078 11.426 641 HD22 ASN 84 1HD2 ASN 84 22.792 -5.213 12.062 642 H GLU 85 H GLU 85 17.983 -3.628 8.334 643 HA GLU 85 HA GLU 85 20.419 -4.624 6.930 644 HB2 GLU 85 1HB GLU 85 18.607 -6.228 7.184 645 HB3 GLU 85 2HB GLU 85 17.478 -5.129 6.371 646 HG2 GLU 85 1HG GLU 85 18.667 -5.311 4.288 647 HG3 GLU 85 2HG GLU 85 20.045 -6.098 5.069 648 H HIS 86 H HIS 86 21.389 -3.017 5.857 649 HA HIS 86 HA HIS 86 19.863 -0.916 4.440 650 HB2 HIS 86 1HB HIS 86 21.702 -0.268 5.838 651 HB3 HIS 86 2HB HIS 86 22.777 -1.453 5.105 652 HD2 HIS 86 2HD HIS 86 24.030 -0.860 2.945 653 HE1 HIS 86 1HE HIS 86 22.515 3.081 2.356 654 HE2 HIS 86 2HE HIS 86 24.250 1.387 1.565 655 H GLY 87 H GLY 87 21.479 -3.904 3.709 656 HA2 GLY 87 1HA GLY 87 22.270 -3.302 0.995 657 HA3 GLY 87 2HA GLY 87 22.308 -4.890 1.791 658 H ARG 88 H ARG 88 19.202 -4.318 2.200 659 HA ARG 88 HA ARG 88 18.256 -4.950 -0.562 660 HB2 ARG 88 1HB ARG 88 17.604 -6.492 1.984 661 HB3 ARG 88 2HB ARG 88 16.827 -6.731 0.418 662 HG2 ARG 88 1HG ARG 88 19.147 -7.264 -0.527 663 HG3 ARG 88 2HG ARG 88 19.686 -7.383 1.165 664 HD2 ARG 88 1HD ARG 88 17.455 -8.952 -0.195 665 HD3 ARG 88 2HD ARG 88 19.031 -9.546 0.316 666 HE ARG 88 HE ARG 88 18.232 -8.825 2.698 667 HH11 ARG 88 1HH1 ARG 88 16.099 -10.430 0.351 668 HH12 ARG 88 2HH1 ARG 88 14.868 -10.711 1.558 669 HH21 ARG 88 1HH2 ARG 88 16.591 -9.108 4.115 670 HH22 ARG 88 2HH2 ARG 88 15.250 -10.185 3.707 671 H ARG 89 H ARG 89 16.031 -4.943 -0.811 672 HA ARG 89 HA ARG 89 14.127 -4.159 1.149 673 HB2 ARG 89 1HB ARG 89 13.384 -2.020 0.337 674 HB3 ARG 89 2HB ARG 89 15.088 -1.922 0.726 675 HG2 ARG 89 1HG ARG 89 15.400 -2.449 -1.885 676 HG3 ARG 89 2HG ARG 89 13.733 -1.841 -1.968 677 HD2 ARG 89 1HD ARG 89 14.564 0.188 -0.664 678 HD3 ARG 89 2HD ARG 89 16.188 -0.460 -0.842 679 HE ARG 89 HE ARG 89 15.376 -0.417 -3.425 680 HH11 ARG 89 1HH2 ARG 89 15.239 2.188 -1.019 681 HH12 ARG 89 2HH2 ARG 89 15.173 3.422 -2.246 682 HH21 ARG 89 1HH1 ARG 89 15.343 1.239 -4.930 683 HH22 ARG 89 2HH1 ARG 89 15.271 2.894 -4.405 684 H ARG 90 H ARG 90 11.932 -4.218 0.387 685 HA ARG 90 HA ARG 90 11.491 -5.617 -2.247 686 HB2 ARG 90 1HB ARG 90 10.154 -5.965 0.466 687 HB3 ARG 90 2HB ARG 90 9.442 -6.556 -1.040 688 HG2 ARG 90 1HG ARG 90 11.366 -7.989 -1.472 689 HG3 ARG 90 2HG ARG 90 12.192 -7.386 -0.020 690 HD2 ARG 90 1HD ARG 90 10.483 -8.305 1.425 691 HD3 ARG 90 2HD ARG 90 9.472 -8.767 0.056 692 HE ARG 90 HE ARG 90 11.878 -10.164 1.066 693 HH11 ARG 90 1HH1 ARG 90 9.573 -10.030 -1.656 694 HH12 ARG 90 2HH1 ARG 90 10.184 -11.527 -2.298 695 HH21 ARG 90 1HH2 ARG 90 12.415 -12.028 0.360 696 HH22 ARG 90 2HH2 ARG 90 11.734 -12.750 -1.089 697 H LYS 91 H LYS 91 10.224 -4.575 -3.664 698 HA LYS 91 HA LYS 91 9.065 -2.012 -3.143 699 HB2 LYS 91 1HB LYS 91 9.600 -3.774 -5.395 700 HB3 LYS 91 2HB LYS 91 7.960 -3.197 -5.527 701 HG2 LYS 91 1HG LYS 91 10.330 -1.343 -5.056 702 HG3 LYS 91 2HG LYS 91 9.820 -1.845 -6.661 703 HD2 LYS 91 1HD LYS 91 7.971 -0.434 -4.707 704 HD3 LYS 91 2HD LYS 91 8.955 0.420 -5.891 705 HE2 LYS 91 1HE LYS 91 7.785 -0.628 -7.731 706 HE3 LYS 91 2HE LYS 91 6.950 -1.745 -6.645 707 HZ1 LYS 91 3HZ LYS 91 5.532 0.121 -7.294 708 HZ2 LYS 91 1HZ LYS 91 5.761 0.110 -5.673 709 HZ3 LYS 91 2HZ LYS 91 6.564 1.193 -6.617 710 H ILE 92 H ILE 92 7.012 -1.275 -2.971 711 HA ILE 92 HA ILE 92 4.756 -3.220 -2.724 712 HB ILE 92 HB ILE 92 3.899 -2.174 -0.767 713 HG12 ILE 92 1HG1 ILE 92 6.025 -0.116 -1.184 714 HG13 ILE 92 2HG1 ILE 92 4.311 0.088 -0.913 715 HG21 ILE 92 1HG2 ILE 92 5.656 -3.953 -0.594 716 HG22 ILE 92 2HG2 ILE 92 6.844 -2.677 -0.273 717 HG23 ILE 92 3HG2 ILE 92 5.468 -2.928 0.825 718 HD11 ILE 92 3HD1 ILE 92 5.559 0.845 1.038 719 HD12 ILE 92 1HD1 ILE 92 4.670 -0.631 1.481 720 HD13 ILE 92 2HD1 ILE 92 6.423 -0.689 1.158 721 H LYS 93 H LYS 93 2.626 -2.149 -2.738 722 HA LYS 93 HA LYS 93 2.387 0.366 -4.195 723 HB2 LYS 93 1HB LYS 93 1.384 -0.530 -6.197 724 HB3 LYS 93 2HB LYS 93 2.949 -1.308 -5.984 725 HG2 LYS 93 1HG LYS 93 1.798 -3.318 -5.026 726 HG3 LYS 93 2HG LYS 93 0.232 -2.529 -5.291 727 HD2 LYS 93 1HD LYS 93 0.732 -2.400 -7.733 728 HD3 LYS 93 2HD LYS 93 2.243 -3.290 -7.445 729 HE2 LYS 93 1HE LYS 93 0.921 -5.177 -6.475 730 HE3 LYS 93 2HE LYS 93 -0.574 -4.282 -6.782 731 HZ1 LYS 93 3HZ LYS 93 -0.133 -5.876 -8.547 732 HZ2 LYS 93 1HZ LYS 93 -0.057 -4.365 -9.160 733 HZ3 LYS 93 2HZ LYS 93 1.322 -5.206 -8.876 734 H ARG 94 H ARG 94 0.083 0.882 -4.701 735 HA ARG 94 HA ARG 94 -1.855 -0.274 -2.731 736 HB2 ARG 94 1HB ARG 94 -1.845 2.430 -4.122 737 HB3 ARG 94 2HB ARG 94 -3.188 1.787 -3.172 738 HG2 ARG 94 1HG ARG 94 -1.708 1.677 -1.160 739 HG3 ARG 94 2HG ARG 94 -0.410 2.440 -2.110 740 HD2 ARG 94 1HD ARG 94 -2.008 4.349 -2.616 741 HD3 ARG 94 2HD ARG 94 -3.189 3.585 -1.552 742 HE ARG 94 HE ARG 94 -2.098 4.359 0.286 743 HH11 ARG 94 1HH1 ARG 94 0.211 4.658 -2.403 744 HH12 ARG 94 2HH1 ARG 94 1.223 5.767 -1.532 745 HH21 ARG 94 1HH2 ARG 94 -0.807 5.857 1.284 746 HH22 ARG 94 2HH2 ARG 94 0.666 6.425 0.546 747 H ASP 95 H ASP 95 -3.932 -0.746 -3.448 748 HA ASP 95 HA ASP 95 -4.693 -0.388 -6.251 749 HB2 ASP 95 1HB ASP 95 -3.618 -2.865 -5.625 750 HB3 ASP 95 2HB ASP 95 -5.342 -3.120 -5.312 751 H ILE 96 H ILE 96 -7.034 -1.503 -6.428 752 HA ILE 96 HA ILE 96 -8.698 -0.518 -4.130 753 HB ILE 96 HB ILE 96 -9.144 -0.075 -7.097 754 HG12 ILE 96 1HG1 ILE 96 -7.336 1.381 -6.233 755 HG13 ILE 96 2HG1 ILE 96 -8.750 2.277 -6.753 756 HG21 ILE 96 1HG2 ILE 96 -11.303 -0.250 -6.030 757 HG22 ILE 96 2HG2 ILE 96 -10.791 0.732 -4.639 758 HG23 ILE 96 3HG2 ILE 96 -11.011 1.473 -6.241 759 HD11 ILE 96 3HD1 ILE 96 -7.680 3.050 -4.571 760 HD12 ILE 96 1HD1 ILE 96 -9.429 2.737 -4.515 761 HD13 ILE 96 2HD1 ILE 96 -8.306 1.548 -3.844 762 H ILE 97 H ILE 97 -10.388 -1.684 -3.628 763 HA ILE 97 HA ILE 97 -10.953 -4.250 -5.045 764 HB ILE 97 HB ILE 97 -12.089 -3.223 -2.442 765 HG12 ILE 97 1HG1 ILE 97 -10.677 -5.292 -1.627 766 HG13 ILE 97 2HG1 ILE 97 -9.680 -4.939 -3.029 767 HG21 ILE 97 1HG2 ILE 97 -13.616 -4.722 -3.511 768 HG22 ILE 97 2HG2 ILE 97 -12.320 -5.903 -3.836 769 HG23 ILE 97 3HG2 ILE 97 -12.853 -5.569 -2.167 770 HD11 ILE 97 3HD1 ILE 97 -9.214 -3.855 -0.643 771 HD12 ILE 97 1HD1 ILE 97 -8.930 -2.909 -2.120 772 HD13 ILE 97 2HD1 ILE 97 -10.406 -2.661 -1.148 773 H ASP 98 H ASP 98 -12.827 -4.627 -6.095 774 HA ASP 98 HA ASP 98 -14.601 -2.308 -6.600 775 HB2 ASP 98 1HB ASP 98 -13.380 -3.404 -8.476 776 HB3 ASP 98 2HB ASP 98 -14.264 -4.895 -8.153 777 H ILE 99 H ILE 99 -14.756 -5.435 -5.175 778 HA ILE 99 HA ILE 99 -16.248 -6.491 -3.868 779 HB ILE 99 HB ILE 99 -18.088 -4.114 -4.158 780 HG12 ILE 99 1HG1 ILE 99 -15.889 -3.462 -3.186 781 HG13 ILE 99 2HG1 ILE 99 -17.234 -3.265 -2.085 782 HG21 ILE 99 1HG2 ILE 99 -19.363 -5.992 -3.375 783 HG22 ILE 99 2HG2 ILE 99 -18.149 -6.369 -2.136 784 HG23 ILE 99 3HG2 ILE 99 -19.099 -4.874 -2.042 785 HD11 ILE 99 3HD1 ILE 99 -15.164 -4.186 -1.026 786 HD12 ILE 99 1HD1 ILE 99 -16.582 -5.223 -0.805 787 HD13 ILE 99 2HD1 ILE 99 -15.343 -5.657 -2.001 788 HA PRO 100 HA PRO 100 -18.656 -8.547 -7.052 789 HB2 PRO 100 1HB PRO 100 -19.350 -10.826 -5.740 790 HB3 PRO 100 2HB PRO 100 -17.670 -10.483 -6.237 791 HG2 PRO 100 1HG PRO 100 -18.951 -10.035 -3.515 792 HG3 PRO 100 2HG PRO 100 -17.390 -10.837 -3.877 793 HD2 PRO 100 1HD PRO 100 -17.576 -8.195 -3.139 794 HD3 PRO 100 2HD PRO 100 -16.322 -8.780 -4.267 795 H LYS 101 H LYS 101 -20.843 -9.331 -7.397 796 HA LYS 101 HA LYS 101 -22.831 -7.563 -6.395 797 HB2 LYS 101 1HB LYS 101 -24.424 -8.882 -7.658 798 HB3 LYS 101 2HB LYS 101 -22.949 -8.618 -8.586 799 HG2 LYS 101 1HG LYS 101 -22.196 -10.944 -8.024 800 HG3 LYS 101 2HG LYS 101 -23.712 -11.200 -7.139 801 HD2 LYS 101 1HD LYS 101 -25.000 -10.789 -9.217 802 HD3 LYS 101 2HD LYS 101 -23.482 -10.525 -10.106 803 HE2 LYS 101 1HE LYS 101 -22.751 -12.835 -9.532 804 HE3 LYS 101 2HE LYS 101 -24.263 -13.098 -8.656 805 HZ1 LYS 101 3HZ LYS 101 -24.376 -13.995 -10.903 806 HZ2 LYS 101 1HZ LYS 101 -25.456 -12.781 -10.753 807 HZ3 LYS 101 2HZ LYS 101 -24.057 -12.535 -11.563 808 H LYS 102 H LYS 102 -21.878 -10.702 -5.167 809 HA LYS 102 HA LYS 102 -24.072 -11.108 -3.329 810 HB2 LYS 102 1HB LYS 102 -22.516 -12.828 -4.271 811 HB3 LYS 102 2HB LYS 102 -21.212 -12.171 -3.277 812 HG2 LYS 102 1HG LYS 102 -22.499 -12.736 -1.222 813 HG3 LYS 102 2HG LYS 102 -23.817 -13.372 -2.217 814 HD2 LYS 102 1HD LYS 102 -20.960 -14.445 -2.154 815 HD3 LYS 102 2HD LYS 102 -22.328 -15.123 -1.264 816 HE2 LYS 102 1HE LYS 102 -23.513 -15.551 -3.419 817 HE3 LYS 102 2HE LYS 102 -22.113 -14.928 -4.304 818 HZ1 LYS 102 3HZ LYS 102 -22.054 -17.340 -4.152 819 HZ2 LYS 102 1HZ LYS 102 -20.784 -16.718 -3.334 820 HZ3 LYS 102 2HZ LYS 102 -22.079 -17.298 -2.520 821 H GLY 103 H GLY 103 -21.228 -9.088 -3.167 822 HA2 GLY 103 1HA GLY 103 -21.268 -8.754 -0.234 823 HA3 GLY 103 2HA GLY 103 -20.132 -8.044 -1.407 824 H VAL 104 H VAL 104 -22.890 -7.229 -2.788 825 HA VAL 104 HA VAL 104 -22.820 -4.486 -1.803 826 HB VAL 104 HB VAL 104 -24.711 -5.791 -3.806 827 HG11 VAL 104 1HG1 VAL 104 -25.741 -3.744 -2.885 828 HG12 VAL 104 2HG1 VAL 104 -24.237 -2.840 -3.164 829 HG13 VAL 104 3HG1 VAL 104 -25.187 -3.451 -4.534 830 HG21 VAL 104 3HG2 VAL 104 -23.318 -4.622 -5.501 831 HG22 VAL 104 1HG2 VAL 104 -22.214 -4.083 -4.219 832 HG23 VAL 104 2HG2 VAL 104 -22.377 -5.809 -4.598 833 H SER 105 H SER 105 -23.845 -3.767 -0.083 834 HA SER 105 HA SER 105 -26.629 -4.350 0.575 835 HB2 SER 105 1HB SER 105 -24.361 -5.360 2.331 836 HB3 SER 105 2HB SER 105 -25.945 -4.945 2.994 837 HG SER 105 HG SER 105 -25.577 -6.812 0.870 838 H GLY 106 H GLY 106 -27.532 -2.663 1.691 839 HA2 GLY 106 1HA GLY 106 -25.814 -0.331 2.434 840 HA3 GLY 106 2HA GLY 106 -27.547 -0.295 2.069 841 HA PRO 107 HA PRO 107 -26.920 -0.565 6.743 842 HB2 PRO 107 1HB PRO 107 -27.377 2.006 7.509 843 HB3 PRO 107 2HB PRO 107 -25.767 1.444 6.968 844 HG2 PRO 107 1HG PRO 107 -27.884 2.875 5.325 845 HG3 PRO 107 2HG PRO 107 -26.141 3.272 5.468 846 HD2 PRO 107 1HD PRO 107 -27.132 1.781 3.400 847 HD3 PRO 107 2HD PRO 107 -25.520 1.453 4.103 848 H SER 108 H SER 108 -28.668 -0.662 8.212 849 HA SER 108 HA SER 108 -31.261 -0.965 7.002 850 HB2 SER 108 1HB SER 108 -30.481 -1.111 9.934 851 HB3 SER 108 2HB SER 108 -31.933 -1.794 9.185 852 HG SER 108 HG SER 108 -30.288 -3.381 9.479 853 H SER 109 H SER 109 -29.928 1.892 8.033 854 HA SER 109 HA SER 109 -32.389 3.399 8.138 855 HB2 SER 109 1HB SER 109 -30.899 2.847 10.732 856 HB3 SER 109 2HB SER 109 -31.865 4.307 10.505 857 HG SER 109 HG SER 109 -32.978 1.763 9.976 858 H GLY 110 H GLY 110 -31.983 5.721 8.434 859 HA2 GLY 110 1HA GLY 110 -29.332 6.838 8.599 860 HA3 GLY 110 2HA GLY 110 -29.905 6.815 6.928 861 H5'1 ATP 201 H5" ATP 111 12.124 -13.952 4.775 862 H5'2 ATP 201 H5' ATP 111 11.830 -12.473 5.687 863 H4' ATP 201 H4' ATP 111 10.000 -14.154 5.819 864 H3' ATP 201 H3' ATP 111 10.273 -14.557 3.099 865 HO3' ATP 201 H3T ATP 111 7.972 -15.344 3.366 866 H2' ATP 201 H2' ATP 111 9.493 -12.403 2.489 867 HO2' ATP 201 2HO ATP 111 8.072 -13.898 1.417 868 H1' ATP 201 H1' ATP 111 7.317 -12.665 4.582 869 H8 ATP 201 8H ATP 111 9.900 -10.117 3.124 870 HN61 ATP 201 2H6 ATP 111 6.712 -6.376 2.857 871 HN62 ATP 201 1H6 ATP 111 5.048 -6.212 3.419 872 H2 ATP 201 2H ATP 111 3.833 -9.930 5.272 Start of MODEL 8 1 HA PRO 1 HA PRO 1 12.111 25.261 1.601 2 HB2 PRO 1 1HB PRO 1 12.825 24.669 4.418 3 HB3 PRO 1 2HB PRO 1 12.764 23.630 2.975 4 HG2 PRO 1 1HG PRO 1 15.056 25.188 4.096 5 HG3 PRO 1 2HG PRO 1 15.102 23.783 2.988 6 HD2 PRO 1 1HD PRO 1 15.713 26.235 2.058 7 HD3 PRO 1 2HD PRO 1 14.699 25.133 1.092 8 H SER 2 H SER 2 12.392 26.893 4.821 9 HA SER 2 HA SER 2 11.038 28.292 5.961 10 HB2 SER 2 1HB SER 2 9.737 28.957 3.305 11 HB3 SER 2 2HB SER 2 9.747 29.936 4.775 12 HG SER 2 HG SER 2 11.354 30.628 3.280 13 H SER 3 H SER 3 9.880 25.460 5.063 14 HA SER 3 HA SER 3 7.505 25.568 6.722 15 HB2 SER 3 1HB SER 3 6.696 26.465 4.486 16 HB3 SER 3 2HB SER 3 7.108 24.892 3.783 17 HG SER 3 HG SER 3 4.883 25.053 4.452 18 H GLY 4 H GLY 4 6.526 23.376 6.929 19 HA2 GLY 4 1HA GLY 4 8.650 21.344 7.126 20 HA3 GLY 4 2HA GLY 4 7.015 21.252 7.805 21 H SER 5 H SER 5 8.455 19.198 6.433 22 HA SER 5 HA SER 5 7.308 18.851 3.771 23 HB2 SER 5 1HB SER 5 8.877 16.901 5.492 24 HB3 SER 5 2HB SER 5 8.576 16.777 3.752 25 HG SER 5 HG SER 5 10.661 17.649 4.207 26 H SER 6 H SER 6 5.705 18.637 6.560 27 HA SER 6 HA SER 6 4.696 16.004 6.723 28 HB2 SER 6 1HB SER 6 3.472 18.529 7.870 29 HB3 SER 6 2HB SER 6 3.339 16.887 8.513 30 HG SER 6 HG SER 6 5.536 16.955 9.072 31 H GLY 7 H GLY 7 4.091 17.242 4.040 32 HA2 GLY 7 1HA GLY 7 1.122 17.311 3.885 33 HA3 GLY 7 2HA GLY 7 2.272 17.545 2.555 34 H PHE 8 H PHE 8 0.336 16.109 1.797 35 HA PHE 8 HA PHE 8 0.629 13.237 2.201 36 HB2 PHE 8 1HB PHE 8 -1.095 13.031 0.552 37 HB3 PHE 8 2HB PHE 8 -1.533 14.314 1.654 38 HD1 PHE 8 2HD PHE 8 -1.583 16.682 0.898 39 HD2 PHE 8 1HD PHE 8 -0.545 13.486 -1.806 40 HE1 PHE 8 2HE PHE 8 -1.881 18.214 -1.032 41 HE2 PHE 8 1HE PHE 8 -0.840 15.022 -3.733 42 HZ PHE 8 HZ PHE 8 -1.505 17.388 -3.349 43 H LEU 9 H LEU 9 0.871 11.839 0.151 44 HA LEU 9 HA LEU 9 3.155 12.781 -1.526 45 HB2 LEU 9 1HB LEU 9 3.895 11.208 0.241 46 HB3 LEU 9 2HB LEU 9 2.700 10.030 -0.303 47 HG LEU 9 HG LEU 9 3.873 9.860 -2.502 48 HD11 LEU 9 1HD1 LEU 9 4.959 12.071 -2.646 49 HD12 LEU 9 2HD1 LEU 9 5.941 11.702 -1.212 50 HD13 LEU 9 3HD1 LEU 9 6.172 10.794 -2.722 51 HD21 LEU 9 3HD2 LEU 9 5.825 8.625 -1.664 52 HD22 LEU 9 1HD2 LEU 9 5.639 9.386 -0.068 53 HD23 LEU 9 2HD2 LEU 9 4.383 8.290 -0.691 54 H ASP 10 H ASP 10 3.021 12.458 -3.647 55 HA ASP 10 HA ASP 10 1.286 10.447 -4.859 56 HB2 ASP 10 1HB ASP 10 -0.061 12.616 -4.571 57 HB3 ASP 10 2HB ASP 10 1.114 13.351 -5.672 58 H LYS 11 H LYS 11 1.654 10.533 -7.288 59 HA LYS 11 HA LYS 11 4.478 11.084 -8.042 60 HB2 LYS 11 1HB LYS 11 3.030 8.443 -7.678 61 HB3 LYS 11 2HB LYS 11 4.314 8.553 -8.855 62 HG2 LYS 11 1HG LYS 11 5.369 9.802 -6.516 63 HG3 LYS 11 2HG LYS 11 4.481 8.388 -5.936 64 HD2 LYS 11 1HD LYS 11 5.822 6.975 -7.527 65 HD3 LYS 11 2HD LYS 11 6.690 8.451 -8.042 66 HE2 LYS 11 1HE LYS 11 7.407 8.829 -5.674 67 HE3 LYS 11 2HE LYS 11 6.562 7.357 -5.181 68 HZ1 LYS 11 3HZ LYS 11 8.914 6.953 -5.489 69 HZ2 LYS 11 1HZ LYS 11 8.082 6.093 -6.607 70 HZ3 LYS 11 2HZ LYS 11 8.870 7.461 -7.044 71 HA PRO 12 HA PRO 12 3.009 12.121 -11.964 72 HB2 PRO 12 1HB PRO 12 5.006 11.413 -13.691 73 HB3 PRO 12 2HB PRO 12 5.186 12.669 -12.440 74 HG2 PRO 12 1HG PRO 12 5.982 9.747 -12.312 75 HG3 PRO 12 2HG PRO 12 6.996 11.168 -11.887 76 HD2 PRO 12 1HD PRO 12 5.641 9.717 -10.000 77 HD3 PRO 12 2HD PRO 12 5.851 11.462 -9.825 78 H THR 13 H THR 13 2.686 11.403 -14.246 79 HA THR 13 HA THR 13 1.978 8.692 -14.901 80 HB THR 13 HB THR 13 0.338 9.163 -13.047 81 HG1 THR 13 1HG THR 13 -0.392 7.681 -14.391 82 HG21 THR 13 3HG2 THR 13 -1.399 10.722 -13.293 83 HG22 THR 13 1HG2 THR 13 0.062 11.635 -13.648 84 HG23 THR 13 2HG2 THR 13 -0.983 11.094 -14.982 85 H LEU 14 H LEU 14 0.341 8.707 -16.684 86 HA LEU 14 HA LEU 14 1.002 10.785 -18.748 87 HB2 LEU 14 1HB LEU 14 0.011 7.919 -18.972 88 HB3 LEU 14 2HB LEU 14 0.421 8.942 -20.333 89 HG LEU 14 HG LEU 14 2.607 8.498 -18.283 90 HD11 LEU 14 1HD1 LEU 14 1.570 6.309 -18.450 91 HD12 LEU 14 2HD1 LEU 14 1.678 6.358 -20.228 92 HD13 LEU 14 3HD1 LEU 14 3.164 6.315 -19.240 93 HD21 LEU 14 3HD2 LEU 14 4.020 8.484 -20.275 94 HD22 LEU 14 1HD2 LEU 14 2.594 8.532 -21.331 95 HD23 LEU 14 2HD2 LEU 14 2.976 9.917 -20.284 96 H LEU 15 H LEU 15 -1.530 9.404 -16.840 97 HA LEU 15 HA LEU 15 -3.728 9.936 -18.660 98 HB2 LEU 15 1HB LEU 15 -3.971 9.429 -15.686 99 HB3 LEU 15 2HB LEU 15 -5.164 9.135 -16.931 100 HG LEU 15 HG LEU 15 -2.599 7.556 -16.495 101 HD11 LEU 15 1HD1 LEU 15 -4.420 7.130 -14.870 102 HD12 LEU 15 2HD1 LEU 15 -5.533 6.780 -16.211 103 HD13 LEU 15 3HD1 LEU 15 -4.132 5.729 -15.915 104 HD21 LEU 15 3HD2 LEU 15 -3.446 6.036 -18.278 105 HD22 LEU 15 1HD2 LEU 15 -4.742 7.197 -18.640 106 HD23 LEU 15 2HD2 LEU 15 -3.038 7.632 -18.910 107 H SER 16 H SER 16 -5.734 10.946 -17.543 108 HA SER 16 HA SER 16 -5.268 13.816 -17.232 109 HB2 SER 16 1HB SER 16 -7.656 12.012 -17.646 110 HB3 SER 16 2HB SER 16 -7.827 13.703 -17.364 111 HG SER 16 HG SER 16 -7.764 13.209 -19.632 112 HA PRO 17 HA PRO 17 -5.970 13.989 -12.851 113 HB2 PRO 17 1HB PRO 17 -7.401 16.304 -12.539 114 HB3 PRO 17 2HB PRO 17 -5.674 16.269 -13.013 115 HG2 PRO 17 1HG PRO 17 -8.097 16.507 -14.831 116 HG3 PRO 17 2HG PRO 17 -6.610 17.514 -14.829 117 HD2 PRO 17 1HD PRO 17 -6.908 15.430 -16.547 118 HD3 PRO 17 2HD PRO 17 -5.321 15.798 -15.797 119 H GLU 18 H GLU 18 -8.699 13.839 -15.042 120 HA GLU 18 HA GLU 18 -10.684 13.312 -12.957 121 HB2 GLU 18 1HB GLU 18 -10.872 12.880 -15.965 122 HB3 GLU 18 2HB GLU 18 -12.205 12.931 -14.803 123 HG2 GLU 18 1HG GLU 18 -11.554 15.325 -14.279 124 HG3 GLU 18 2HG GLU 18 -10.379 15.242 -15.600 125 H GLU 19 H GLU 19 -8.561 11.381 -15.037 126 HA GLU 19 HA GLU 19 -9.971 8.858 -14.869 127 HB2 GLU 19 1HB GLU 19 -7.172 9.748 -15.638 128 HB3 GLU 19 2HB GLU 19 -7.561 8.051 -15.522 129 HG2 GLU 19 1HG GLU 19 -8.964 10.075 -17.320 130 HG3 GLU 19 2HG GLU 19 -7.679 8.976 -17.814 131 H LEU 20 H LEU 20 -7.115 10.170 -13.294 132 HA LEU 20 HA LEU 20 -6.406 7.951 -11.647 133 HB2 LEU 20 1HB LEU 20 -5.931 10.923 -11.183 134 HB3 LEU 20 2HB LEU 20 -4.974 9.627 -10.496 135 HG LEU 20 HG LEU 20 -5.147 9.795 -13.523 136 HD11 LEU 20 1HD1 LEU 20 -4.840 12.105 -12.662 137 HD12 LEU 20 2HD1 LEU 20 -3.321 11.583 -11.903 138 HD13 LEU 20 3HD1 LEU 20 -3.526 11.507 -13.683 139 HD21 LEU 20 3HD2 LEU 20 -2.914 8.906 -13.425 140 HD22 LEU 20 1HD2 LEU 20 -2.845 9.111 -11.661 141 HD23 LEU 20 2HD2 LEU 20 -3.955 7.923 -12.386 142 H LYS 21 H LYS 21 -8.227 10.916 -10.937 143 HA LYS 21 HA LYS 21 -9.082 10.202 -8.272 144 HB2 LYS 21 1HB LYS 21 -10.007 12.155 -10.384 145 HB3 LYS 21 2HB LYS 21 -11.053 11.828 -9.013 146 HG2 LYS 21 1HG LYS 21 -9.620 13.821 -8.705 147 HG3 LYS 21 2HG LYS 21 -9.488 12.615 -7.424 148 HD2 LYS 21 1HD LYS 21 -7.303 11.895 -8.205 149 HD3 LYS 21 2HD LYS 21 -7.474 12.827 -9.690 150 HE2 LYS 21 1HE LYS 21 -5.988 14.028 -8.250 151 HE3 LYS 21 2HE LYS 21 -7.492 14.940 -8.383 152 HZ1 LYS 21 3HZ LYS 21 -6.695 14.825 -6.092 153 HZ2 LYS 21 1HZ LYS 21 -8.134 14.065 -6.201 154 HZ3 LYS 21 2HZ LYS 21 -6.750 13.194 -6.093 155 H ALA 22 H ALA 22 -10.702 9.591 -11.460 156 HA ALA 22 HA ALA 22 -13.006 8.364 -10.291 157 HB1 ALA 22 1HB ALA 22 -12.994 9.242 -12.571 158 HB2 ALA 22 2HB ALA 22 -11.796 8.021 -13.066 159 HB3 ALA 22 3HB ALA 22 -13.430 7.526 -12.580 160 H ALA 23 H ALA 23 -9.888 6.893 -11.249 161 HA ALA 23 HA ALA 23 -10.553 4.173 -10.937 162 HB1 ALA 23 1HB ALA 23 -8.396 5.079 -11.831 163 HB2 ALA 23 2HB ALA 23 -7.952 5.573 -10.173 164 HB3 ALA 23 3HB ALA 23 -8.148 3.859 -10.560 165 H SER 24 H SER 24 -10.009 6.574 -8.419 166 HA SER 24 HA SER 24 -10.115 4.503 -6.284 167 HB2 SER 24 1HB SER 24 -8.391 6.253 -6.169 168 HB3 SER 24 2HB SER 24 -9.650 7.500 -6.124 169 HG SER 24 HG SER 24 -8.896 6.929 -4.012 170 H ARG 25 H ARG 25 -11.791 7.539 -7.184 171 HA ARG 25 HA ARG 25 -13.814 7.456 -5.239 172 HB2 ARG 25 1HB ARG 25 -12.963 9.376 -6.642 173 HB3 ARG 25 2HB ARG 25 -13.935 8.777 -7.973 174 HG2 ARG 25 1HG ARG 25 -15.019 10.624 -6.820 175 HG3 ARG 25 2HG ARG 25 -16.002 9.168 -6.685 176 HD2 ARG 25 1HD ARG 25 -15.235 8.840 -4.366 177 HD3 ARG 25 2HD ARG 25 -14.127 10.223 -4.521 178 HE ARG 25 HE ARG 25 -16.767 11.076 -5.153 179 HH11 ARG 25 1HH1 ARG 25 -14.951 10.066 -2.287 180 HH12 ARG 25 2HH1 ARG 25 -15.949 11.000 -1.214 181 HH21 ARG 25 1HH2 ARG 25 -18.014 12.259 -3.713 182 HH22 ARG 25 2HH2 ARG 25 -17.659 12.222 -2.013 183 H GLY 26 H GLY 26 -13.657 5.763 -8.259 184 HA2 GLY 26 1HA GLY 26 -16.373 5.232 -8.831 185 HA3 GLY 26 2HA GLY 26 -15.003 4.187 -9.263 186 H ASN 27 H ASN 27 -14.482 3.914 -6.210 187 HA ASN 27 HA ASN 27 -16.943 2.638 -5.249 188 HB2 ASN 27 1HB ASN 27 -15.851 0.781 -6.449 189 HB3 ASN 27 2HB ASN 27 -14.385 1.015 -5.493 190 HD21 ASN 27 2HD2 ASN 27 -14.272 -0.717 -4.107 191 HD22 ASN 27 1HD2 ASN 27 -15.535 -1.084 -2.933 192 H GLY 28 H GLY 28 -13.577 3.655 -4.467 193 HA2 GLY 28 1HA GLY 28 -13.015 5.037 -2.692 194 HA3 GLY 28 2HA GLY 28 -14.596 4.752 -1.928 195 H GLU 29 H GLU 29 -13.039 1.877 -2.790 196 HA GLU 29 HA GLU 29 -12.266 1.140 -0.046 197 HB2 GLU 29 1HB GLU 29 -13.044 -0.210 -2.465 198 HB3 GLU 29 2HB GLU 29 -11.438 -0.712 -2.068 199 HG2 GLU 29 1HG GLU 29 -12.968 -2.241 -0.971 200 HG3 GLU 29 2HG GLU 29 -12.259 -1.244 0.290 201 H TYR 30 H TYR 30 -10.093 -0.279 -0.129 202 HA TYR 30 HA TYR 30 -7.891 0.679 -1.686 203 HB2 TYR 30 1HB TYR 30 -6.635 1.844 0.001 204 HB3 TYR 30 2HB TYR 30 -8.162 2.662 -0.242 205 HD1 TYR 30 1HD TYR 30 -10.099 2.100 1.417 206 HD2 TYR 30 2HD TYR 30 -5.981 1.052 2.147 207 HE1 TYR 30 1HE TYR 30 -10.586 1.878 3.862 208 HE2 TYR 30 2HE TYR 30 -6.464 0.794 4.575 209 HH TYR 30 HH TYR 30 -8.061 0.923 6.230 210 H ALA 31 H ALA 31 -5.996 -0.425 -1.336 211 HA ALA 31 HA ALA 31 -5.687 -2.351 0.865 212 HB1 ALA 31 1HB ALA 31 -6.889 -3.782 -0.587 213 HB2 ALA 31 2HB ALA 31 -6.124 -3.130 -2.048 214 HB3 ALA 31 3HB ALA 31 -5.206 -4.169 -0.926 215 H TRP 32 H TRP 32 -3.601 -3.210 1.006 216 HA TRP 32 HA TRP 32 -1.455 -1.854 -0.572 217 HB2 TRP 32 1HB TRP 32 -1.551 -2.592 2.368 218 HB3 TRP 32 2HB TRP 32 -0.050 -2.339 1.501 219 HD1 TRP 32 HD TRP 32 -3.256 -0.265 2.185 220 HE1 TRP 32 1HE TRP 32 -2.609 2.212 2.294 221 HE3 TRP 32 3HE TRP 32 1.737 -0.697 1.126 222 HZ2 TRP 32 2HZ TRP 32 -0.128 3.768 2.319 223 HZ3 TRP 32 3HZ TRP 32 3.194 1.325 1.157 224 HH2 TRP 32 HH TRP 32 2.267 3.508 1.773 225 H TYR 33 H TYR 33 0.252 -3.089 -1.224 226 HA TYR 33 HA TYR 33 0.115 -6.046 -0.875 227 HB2 TYR 33 1HB TYR 33 0.302 -4.511 -3.492 228 HB3 TYR 33 2HB TYR 33 0.659 -6.216 -3.339 229 HD1 TYR 33 2HD TYR 33 -2.119 -3.716 -2.924 230 HD2 TYR 33 1HD TYR 33 -1.012 -7.827 -3.625 231 HE1 TYR 33 2HE TYR 33 -4.498 -4.279 -3.394 232 HE2 TYR 33 1HE TYR 33 -3.379 -8.384 -4.114 233 HH TYR 33 HH TYR 33 -5.529 -7.586 -4.319 234 H TYR 34 H TYR 34 2.072 -7.156 -1.254 235 HA TYR 34 HA TYR 34 4.570 -5.533 -1.533 236 HB2 TYR 34 1HB TYR 34 5.668 -6.897 0.092 237 HB3 TYR 34 2HB TYR 34 4.234 -6.209 0.823 238 HD1 TYR 34 2HD TYR 34 2.280 -7.602 1.411 239 HD2 TYR 34 1HD TYR 34 5.903 -9.316 -0.183 240 HE1 TYR 34 2HE TYR 34 1.563 -9.839 2.207 241 HE2 TYR 34 1HE TYR 34 5.191 -11.562 0.619 242 HH TYR 34 HH TYR 34 2.093 -12.078 2.359 243 H GLU 35 H GLU 35 6.315 -6.554 -2.632 244 HA GLU 35 HA GLU 35 5.541 -8.729 -4.485 245 HB2 GLU 35 1HB GLU 35 8.160 -7.199 -4.199 246 HB3 GLU 35 2HB GLU 35 7.842 -8.503 -5.351 247 HG2 GLU 35 1HG GLU 35 5.851 -7.097 -6.181 248 HG3 GLU 35 2HG GLU 35 6.527 -5.784 -5.205 249 H GLY 36 H GLY 36 5.443 -10.687 -3.658 250 HA2 GLY 36 1HA GLY 36 7.498 -11.730 -1.739 251 HA3 GLY 36 2HA GLY 36 5.956 -12.492 -2.165 252 H ARG 37 H ARG 37 7.219 -14.421 -2.488 253 HA ARG 37 HA ARG 37 9.322 -14.705 -4.333 254 HB2 ARG 37 1HB ARG 37 8.547 -16.327 -2.518 255 HB3 ARG 37 2HB ARG 37 7.246 -16.805 -3.594 256 HG2 ARG 37 1HG ARG 37 8.730 -18.459 -4.070 257 HG3 ARG 37 2HG ARG 37 9.254 -17.319 -5.300 258 HD2 ARG 37 1HD ARG 37 10.500 -17.768 -2.555 259 HD3 ARG 37 2HD ARG 37 11.143 -18.359 -4.092 260 HE ARG 37 HE ARG 37 11.141 -15.752 -4.633 261 HH11 ARG 37 1HH1 ARG 37 12.339 -17.367 -1.705 262 HH12 ARG 37 2HH1 ARG 37 13.481 -16.082 -1.369 263 HH21 ARG 37 1HH2 ARG 37 12.583 -14.100 -4.046 264 HH22 ARG 37 2HH2 ARG 37 13.533 -14.269 -2.580 265 H ASN 38 H ASN 38 5.835 -15.156 -4.873 266 HA ASN 38 HA ASN 38 6.299 -15.738 -7.748 267 HB2 ASN 38 1HB ASN 38 3.954 -16.304 -5.914 268 HB3 ASN 38 2HB ASN 38 4.021 -16.751 -7.617 269 HD21 ASN 38 2HD2 ASN 38 3.861 -18.446 -5.095 270 HD22 ASN 38 1HD2 ASN 38 5.205 -19.561 -5.263 271 H GLY 39 H GLY 39 5.196 -13.046 -5.962 272 HA2 GLY 39 1HA GLY 39 4.879 -11.220 -7.916 273 HA3 GLY 39 2HA GLY 39 3.321 -12.029 -8.004 274 H TRP 40 H TRP 40 2.452 -9.900 -7.457 275 HA TRP 40 HA TRP 40 2.799 -8.701 -4.877 276 HB2 TRP 40 1HB TRP 40 0.531 -8.527 -6.892 277 HB3 TRP 40 2HB TRP 40 0.717 -7.490 -5.487 278 HD1 TRP 40 HD TRP 40 1.762 -7.804 -9.032 279 HE1 TRP 40 1HE TRP 40 3.428 -5.984 -9.680 280 HE3 TRP 40 3HE TRP 40 2.846 -6.019 -4.363 281 HZ2 TRP 40 2HZ TRP 40 4.939 -3.887 -8.348 282 HZ3 TRP 40 3HZ TRP 40 4.403 -4.123 -4.083 283 HH2 TRP 40 HH TRP 40 5.457 -3.038 -6.046 284 H TRP 41 H TRP 41 1.942 -9.160 -2.960 285 HA TRP 41 HA TRP 41 -0.529 -10.826 -2.728 286 HB2 TRP 41 1HB TRP 41 2.009 -11.040 -1.066 287 HB3 TRP 41 2HB TRP 41 0.514 -11.931 -0.773 288 HD1 TRP 41 HD TRP 41 3.728 -12.424 -2.296 289 HE1 TRP 41 1HE TRP 41 3.755 -14.203 -4.153 290 HE3 TRP 41 3HE TRP 41 -1.313 -12.986 -2.943 291 HZ2 TRP 41 2HZ TRP 41 1.834 -15.471 -5.894 292 HZ3 TRP 41 3HZ TRP 41 -2.191 -14.416 -4.737 293 HH2 TRP 41 HH TRP 41 -0.637 -15.676 -6.235 294 H GLN 42 H GLN 42 -1.970 -10.228 -1.145 295 HA GLN 42 HA GLN 42 -1.804 -7.406 -0.448 296 HB2 GLN 42 1HB GLN 42 -3.823 -8.701 -1.400 297 HB3 GLN 42 2HB GLN 42 -4.049 -9.332 0.235 298 HG2 GLN 42 1HG GLN 42 -4.196 -6.926 1.048 299 HG3 GLN 42 2HG GLN 42 -4.083 -6.404 -0.633 300 HE21 GLN 42 2HE2 GLN 42 -5.990 -6.671 -2.017 301 HE22 GLN 42 1HE2 GLN 42 -7.517 -7.168 -1.309 302 H TYR 43 H TYR 43 -1.738 -6.450 1.549 303 HA TYR 43 HA TYR 43 -0.791 -7.921 3.882 304 HB2 TYR 43 1HB TYR 43 -1.535 -5.055 3.260 305 HB3 TYR 43 2HB TYR 43 -1.264 -5.556 4.919 306 HD1 TYR 43 1HD TYR 43 0.930 -6.632 5.587 307 HD2 TYR 43 2HD TYR 43 0.352 -4.585 1.846 308 HE1 TYR 43 1HE TYR 43 3.388 -6.346 5.366 309 HE2 TYR 43 2HE TYR 43 2.806 -4.251 1.635 310 HH TYR 43 HH TYR 43 5.061 -5.532 4.109 311 H ASP 44 H ASP 44 -1.784 -7.729 6.010 312 HA ASP 44 HA ASP 44 -4.674 -8.368 6.058 313 HB2 ASP 44 1HB ASP 44 -2.601 -8.119 8.270 314 HB3 ASP 44 2HB ASP 44 -4.275 -8.595 8.505 315 H GLU 45 H GLU 45 -6.228 -7.116 7.075 316 HA GLU 45 HA GLU 45 -6.024 -4.306 6.765 317 HB2 GLU 45 1HB GLU 45 -8.256 -4.202 7.745 318 HB3 GLU 45 2HB GLU 45 -8.122 -5.457 6.514 319 HG2 GLU 45 1HG GLU 45 -7.968 -7.197 8.271 320 HG3 GLU 45 2HG GLU 45 -8.025 -5.955 9.522 321 H ARG 46 H ARG 46 -5.143 -6.224 9.491 322 HA ARG 46 HA ARG 46 -5.154 -4.230 11.591 323 HB2 ARG 46 1HB ARG 46 -3.466 -6.735 11.081 324 HB3 ARG 46 2HB ARG 46 -3.251 -5.694 12.482 325 HG2 ARG 46 1HG ARG 46 -4.548 -7.447 13.221 326 HG3 ARG 46 2HG ARG 46 -5.631 -6.052 13.097 327 HD2 ARG 46 1HD ARG 46 -6.630 -6.980 11.060 328 HD3 ARG 46 2HD ARG 46 -5.447 -8.311 11.063 329 HE ARG 46 HE ARG 46 -6.898 -8.208 13.542 330 HH11 ARG 46 1HH1 ARG 46 -7.346 -9.281 10.194 331 HH12 ARG 46 2HH1 ARG 46 -8.581 -10.421 10.637 332 HH21 ARG 46 1HH2 ARG 46 -8.482 -9.708 14.034 333 HH22 ARG 46 2HH2 ARG 46 -9.206 -10.663 12.776 334 H THR 47 H THR 47 -2.907 -5.203 9.137 335 HA THR 47 HA THR 47 -0.740 -3.369 9.928 336 HB THR 47 HB THR 47 -0.946 -5.528 7.788 337 HG1 THR 47 1HG THR 47 0.414 -6.562 9.336 338 HG21 THR 47 3HG2 THR 47 1.557 -5.334 7.758 339 HG22 THR 47 1HG2 THR 47 0.718 -3.957 7.032 340 HG23 THR 47 2HG2 THR 47 1.397 -3.801 8.666 341 H SER 48 H SER 48 -2.721 -3.853 6.923 342 HA SER 48 HA SER 48 -1.363 -1.841 5.454 343 HB2 SER 48 1HB SER 48 -3.244 -1.933 3.915 344 HB3 SER 48 2HB SER 48 -2.733 -3.555 4.408 345 HG SER 48 HG SER 48 -5.034 -3.310 4.451 346 H ARG 49 H ARG 49 -4.073 -1.498 7.717 347 HA ARG 49 HA ARG 49 -4.724 1.178 7.036 348 HB2 ARG 49 1HB ARG 49 -6.006 1.275 8.974 349 HB3 ARG 49 2HB ARG 49 -6.073 -0.382 8.420 350 HG2 ARG 49 1HG ARG 49 -5.833 -0.656 10.695 351 HG3 ARG 49 2HG ARG 49 -4.204 -0.891 10.102 352 HD2 ARG 49 1HD ARG 49 -4.417 0.426 12.252 353 HD3 ARG 49 2HD ARG 49 -3.475 1.189 10.997 354 HE ARG 49 HE ARG 49 -6.323 1.960 11.203 355 HH11 ARG 49 1HH1 ARG 49 -2.992 2.907 12.066 356 HH12 ARG 49 2HH1 ARG 49 -3.388 4.616 11.911 357 HH21 ARG 49 1HH2 ARG 49 -6.721 4.192 11.204 358 HH22 ARG 49 2HH2 ARG 49 -5.421 5.291 11.584 359 H GLU 50 H GLU 50 -1.975 -0.080 8.879 360 HA GLU 50 HA GLU 50 -1.351 2.458 10.189 361 HB2 GLU 50 1HB GLU 50 0.455 0.079 9.582 362 HB3 GLU 50 2HB GLU 50 0.838 1.400 10.669 363 HG2 GLU 50 1HG GLU 50 -1.547 -0.447 11.130 364 HG3 GLU 50 2HG GLU 50 0.071 -0.797 11.709 365 H LEU 51 H LEU 51 -0.530 0.879 7.172 366 HA LEU 51 HA LEU 51 1.536 2.715 6.301 367 HB2 LEU 51 1HB LEU 51 -0.119 0.792 4.625 368 HB3 LEU 51 2HB LEU 51 1.512 1.372 4.311 369 HG LEU 51 HG LEU 51 0.676 -0.563 6.519 370 HD11 LEU 51 1HD1 LEU 51 0.563 -1.514 4.265 371 HD12 LEU 51 2HD1 LEU 51 2.259 -1.057 3.980 372 HD13 LEU 51 3HD1 LEU 51 1.844 -2.250 5.238 373 HD21 LEU 51 3HD2 LEU 51 3.138 -0.869 6.851 374 HD22 LEU 51 1HD2 LEU 51 3.405 0.515 5.764 375 HD23 LEU 51 2HD2 LEU 51 2.572 0.742 7.313 376 H GLU 52 H GLU 52 -1.894 2.207 5.499 377 HA GLU 52 HA GLU 52 -2.259 4.348 3.709 378 HB2 GLU 52 1HB GLU 52 -3.787 2.355 4.200 379 HB3 GLU 52 2HB GLU 52 -4.285 3.192 5.662 380 HG2 GLU 52 1HG GLU 52 -5.958 3.569 4.024 381 HG3 GLU 52 2HG GLU 52 -5.126 5.092 4.242 382 H ASP 53 H ASP 53 -2.219 4.379 7.266 383 HA ASP 53 HA ASP 53 -3.468 7.003 7.522 384 HB2 ASP 53 1HB ASP 53 -3.500 5.023 9.131 385 HB3 ASP 53 2HB ASP 53 -1.856 5.430 9.572 386 H ALA 54 H ALA 54 -0.238 5.700 7.461 387 HA ALA 54 HA ALA 54 1.232 7.801 8.610 388 HB1 ALA 54 1HB ALA 54 2.120 5.609 8.332 389 HB2 ALA 54 2HB ALA 54 1.981 5.691 6.561 390 HB3 ALA 54 3HB ALA 54 3.167 6.712 7.408 391 H PHE 55 H PHE 55 0.717 7.368 5.040 392 HA PHE 55 HA PHE 55 2.013 9.882 4.431 393 HB2 PHE 55 1HB PHE 55 1.422 9.535 2.219 394 HB3 PHE 55 2HB PHE 55 1.700 7.935 2.858 395 HD1 PHE 55 1HD PHE 55 -0.887 10.337 1.751 396 HD2 PHE 55 2HD PHE 55 -0.093 6.264 2.923 397 HE1 PHE 55 1HE PHE 55 -3.073 9.638 0.793 398 HE2 PHE 55 2HE PHE 55 -2.252 5.570 1.922 399 HZ PHE 55 HZ PHE 55 -3.753 7.243 0.876 400 H SER 56 H SER 56 -1.118 9.073 5.534 401 HA SER 56 HA SER 56 -2.434 11.594 4.774 402 HB2 SER 56 1HB SER 56 -3.490 9.248 5.091 403 HB3 SER 56 2HB SER 56 -3.422 9.597 6.817 404 HG SER 56 HG SER 56 -5.433 10.242 5.856 405 H LYS 57 H LYS 57 -0.703 10.332 7.612 406 HA LYS 57 HA LYS 57 -1.314 12.580 9.379 407 HB2 LYS 57 1HB LYS 57 0.726 10.331 9.367 408 HB3 LYS 57 2HB LYS 57 0.702 11.571 10.620 409 HG2 LYS 57 1HG LYS 57 -1.291 10.837 11.562 410 HG3 LYS 57 2HG LYS 57 -1.857 10.067 10.078 411 HD2 LYS 57 1HD LYS 57 -1.194 8.374 11.758 412 HD3 LYS 57 2HD LYS 57 -0.262 8.282 10.278 413 HE2 LYS 57 1HE LYS 57 1.466 8.071 11.737 414 HE3 LYS 57 2HE LYS 57 1.477 9.815 11.569 415 HZ1 LYS 57 3HZ LYS 57 1.530 9.206 13.914 416 HZ2 LYS 57 1HZ LYS 57 0.124 9.976 13.603 417 HZ3 LYS 57 2HZ LYS 57 0.143 8.351 13.785 418 H GLY 58 H GLY 58 1.432 11.694 7.257 419 HA2 GLY 58 1HA GLY 58 2.394 13.642 5.993 420 HA3 GLY 58 2HA GLY 58 2.566 14.462 7.557 421 H LYS 59 H LYS 59 3.275 11.311 8.315 422 HA LYS 59 HA LYS 59 6.142 11.717 8.169 423 HB2 LYS 59 1HB LYS 59 6.227 9.319 8.975 424 HB3 LYS 59 2HB LYS 59 5.417 10.459 10.035 425 HG2 LYS 59 1HG LYS 59 3.243 9.655 9.466 426 HG3 LYS 59 2HG LYS 59 3.877 8.782 8.063 427 HD2 LYS 59 1HD LYS 59 3.291 7.267 9.920 428 HD3 LYS 59 2HD LYS 59 4.975 7.174 9.459 429 HE2 LYS 59 1HE LYS 59 5.597 8.632 11.392 430 HE3 LYS 59 2HE LYS 59 3.901 8.670 11.886 431 HZ1 LYS 59 3HZ LYS 59 5.100 6.963 13.099 432 HZ2 LYS 59 1HZ LYS 59 4.034 6.207 12.111 433 HZ3 LYS 59 2HZ LYS 59 5.618 6.251 11.727 434 H LYS 60 H LYS 60 7.656 10.515 7.024 435 HA LYS 60 HA LYS 60 6.780 9.715 4.289 436 HB2 LYS 60 1HB LYS 60 8.902 10.299 3.525 437 HB3 LYS 60 2HB LYS 60 8.435 11.568 4.652 438 HG2 LYS 60 1HG LYS 60 9.905 10.474 6.385 439 HG3 LYS 60 2HG LYS 60 10.427 9.318 5.139 440 HD2 LYS 60 1HD LYS 60 11.264 11.189 3.748 441 HD3 LYS 60 2HD LYS 60 10.754 12.345 4.998 442 HE2 LYS 60 1HE LYS 60 12.268 11.237 6.636 443 HE3 LYS 60 2HE LYS 60 12.781 10.091 5.387 444 HZ1 LYS 60 3HZ LYS 60 14.350 11.924 5.608 445 HZ2 LYS 60 1HZ LYS 60 13.671 11.975 4.124 446 HZ3 LYS 60 2HZ LYS 60 13.195 13.031 5.280 447 H ASN 61 H ASN 61 7.336 8.125 7.096 448 HA ASN 61 HA ASN 61 7.432 5.579 5.879 449 HB2 ASN 61 1HB ASN 61 9.552 4.701 6.736 450 HB3 ASN 61 2HB ASN 61 9.870 6.034 5.637 451 HD21 ASN 61 2HD2 ASN 61 10.289 8.154 6.611 452 HD22 ASN 61 1HD2 ASN 61 11.104 8.253 8.163 453 H THR 62 H THR 62 7.126 3.894 7.382 454 HA THR 62 HA THR 62 6.531 4.567 10.206 455 HB THR 62 HB THR 62 4.520 5.123 8.816 456 HG1 THR 62 1HG THR 62 3.207 4.031 10.416 457 HG21 THR 62 3HG2 THR 62 3.004 3.271 8.241 458 HG22 THR 62 1HG2 THR 62 4.481 3.205 7.272 459 HG23 THR 62 2HG2 THR 62 4.257 2.082 8.638 460 H GLU 63 H GLU 63 5.477 2.389 11.206 461 HA GLU 63 HA GLU 63 7.378 0.179 10.534 462 HB2 GLU 63 1HB GLU 63 6.754 1.516 13.193 463 HB3 GLU 63 2HB GLU 63 7.487 -0.088 13.073 464 HG2 GLU 63 1HG GLU 63 9.336 0.794 11.765 465 HG3 GLU 63 2HG GLU 63 8.662 2.418 11.800 466 H MET 64 H MET 64 6.747 -1.872 10.911 467 HA MET 64 HA MET 64 4.119 -2.549 12.041 468 HB2 MET 64 1HB MET 64 3.425 -3.708 9.937 469 HB3 MET 64 2HB MET 64 3.442 -1.948 9.789 470 HG2 MET 64 1HG MET 64 5.467 -1.963 8.525 471 HG3 MET 64 2HG MET 64 5.858 -3.595 9.022 472 HE1 MET 64 3HE MET 64 5.851 -4.614 5.602 473 HE2 MET 64 1HE MET 64 6.692 -3.579 6.771 474 HE3 MET 64 2HE MET 64 6.141 -5.199 7.252 475 H LEU 65 H LEU 65 3.770 -4.792 12.267 476 HA LEU 65 HA LEU 65 6.227 -6.447 12.401 477 HB2 LEU 65 1HB LEU 65 4.384 -5.758 14.400 478 HB3 LEU 65 2HB LEU 65 3.776 -7.303 13.868 479 HG LEU 65 HG LEU 65 5.206 -7.537 15.772 480 HD11 LEU 65 1HD1 LEU 65 5.268 -9.393 14.177 481 HD12 LEU 65 2HD1 LEU 65 6.705 -8.682 13.411 482 HD13 LEU 65 3HD1 LEU 65 6.779 -9.230 15.089 483 HD21 LEU 65 3HD2 LEU 65 7.530 -6.886 15.846 484 HD22 LEU 65 1HD2 LEU 65 7.493 -6.379 14.147 485 HD23 LEU 65 2HD2 LEU 65 6.548 -5.486 15.353 486 H ILE 66 H ILE 66 6.251 -8.396 11.556 487 HA ILE 66 HA ILE 66 3.946 -9.330 9.837 488 HB ILE 66 HB ILE 66 5.401 -10.081 8.177 489 HG12 ILE 66 1HG1 ILE 66 7.889 -8.779 8.925 490 HG13 ILE 66 2HG1 ILE 66 7.463 -9.908 10.185 491 HG21 ILE 66 1HG2 ILE 66 4.513 -7.761 8.158 492 HG22 ILE 66 2HG2 ILE 66 6.052 -7.187 8.824 493 HG23 ILE 66 3HG2 ILE 66 6.001 -7.984 7.229 494 HD11 ILE 66 3HD1 ILE 66 8.878 -10.815 8.252 495 HD12 ILE 66 1HD1 ILE 66 7.495 -11.788 8.749 496 HD13 ILE 66 2HD1 ILE 66 7.390 -10.788 7.292 497 H ALA 67 H ALA 67 5.327 -11.784 9.095 498 HA ALA 67 HA ALA 67 4.348 -13.583 11.000 499 HB1 ALA 67 1HB ALA 67 4.820 -13.991 8.563 500 HB2 ALA 67 2HB ALA 67 6.566 -13.962 8.930 501 HB3 ALA 67 3HB ALA 67 5.536 -15.233 9.614 502 H GLY 68 H GLY 68 7.358 -11.866 11.207 503 HA2 GLY 68 1HA GLY 68 7.978 -12.904 13.789 504 HA3 GLY 68 2HA GLY 68 8.983 -13.728 12.616 505 H PHE 69 H PHE 69 8.242 -10.366 11.907 506 HA PHE 69 HA PHE 69 10.860 -9.398 12.874 507 HB2 PHE 69 1HB PHE 69 10.135 -9.613 9.918 508 HB3 PHE 69 2HB PHE 69 11.516 -8.751 10.551 509 HD1 PHE 69 1HD PHE 69 13.343 -10.022 11.784 510 HD2 PHE 69 2HD PHE 69 10.260 -12.014 9.508 511 HE1 PHE 69 1HE PHE 69 14.776 -12.043 11.595 512 HE2 PHE 69 2HE PHE 69 11.695 -14.021 9.327 513 HZ PHE 69 HZ PHE 69 13.957 -14.041 10.361 514 H LEU 70 H LEU 70 11.155 -7.161 12.719 515 HA LEU 70 HA LEU 70 8.724 -5.489 12.291 516 HB2 LEU 70 1HB LEU 70 10.255 -5.317 14.386 517 HB3 LEU 70 2HB LEU 70 11.459 -4.652 13.299 518 HG LEU 70 HG LEU 70 10.461 -2.876 14.485 519 HD11 LEU 70 1HD1 LEU 70 10.824 -2.453 11.998 520 HD12 LEU 70 2HD1 LEU 70 9.056 -2.608 11.823 521 HD13 LEU 70 3HD1 LEU 70 9.733 -1.350 12.849 522 HD21 LEU 70 3HD2 LEU 70 8.031 -2.349 14.415 523 HD22 LEU 70 1HD2 LEU 70 7.739 -3.898 13.594 524 HD23 LEU 70 2HD2 LEU 70 8.402 -3.877 15.238 525 H TYR 71 H TYR 71 8.502 -4.485 10.433 526 HA TYR 71 HA TYR 71 10.895 -3.888 8.741 527 HB2 TYR 71 1HB TYR 71 8.170 -4.686 7.845 528 HB3 TYR 71 2HB TYR 71 9.395 -4.021 6.762 529 HD1 TYR 71 2HD TYR 71 11.829 -5.628 7.866 530 HD2 TYR 71 1HD TYR 71 7.810 -6.762 6.779 531 HE1 TYR 71 2HE TYR 71 12.575 -7.951 7.460 532 HE2 TYR 71 1HE TYR 71 8.517 -9.062 6.501 533 HH TYR 71 HH TYR 71 11.977 -10.066 6.890 534 H VAL 72 H VAL 72 11.218 -1.934 8.134 535 HA VAL 72 HA VAL 72 9.442 0.264 8.956 536 HB VAL 72 HB VAL 72 12.166 0.343 7.624 537 HG11 VAL 72 1HG1 VAL 72 10.875 2.424 7.224 538 HG12 VAL 72 2HG1 VAL 72 10.537 2.553 8.964 539 HG13 VAL 72 3HG1 VAL 72 12.198 2.718 8.359 540 HG21 VAL 72 3HG2 VAL 72 13.022 0.997 9.854 541 HG22 VAL 72 1HG2 VAL 72 11.418 0.691 10.553 542 HG23 VAL 72 2HG2 VAL 72 12.366 -0.641 9.853 543 H ALA 73 H ALA 73 7.817 0.636 7.625 544 HA ALA 73 HA ALA 73 7.860 0.161 4.739 545 HB1 ALA 73 1HB ALA 73 5.884 -0.340 6.166 546 HB2 ALA 73 2HB ALA 73 5.750 1.376 6.563 547 HB3 ALA 73 3HB ALA 73 5.523 0.840 4.882 548 H ASP 74 H ASP 74 9.192 1.534 3.710 549 HA ASP 74 HA ASP 74 9.152 4.446 4.174 550 HB2 ASP 74 1HB ASP 74 11.284 3.316 3.791 551 HB3 ASP 74 2HB ASP 74 10.699 2.676 2.258 552 H LEU 75 H LEU 75 7.619 5.639 3.300 553 HA LEU 75 HA LEU 75 5.934 4.842 1.089 554 HB2 LEU 75 1HB LEU 75 6.343 7.361 2.754 555 HB3 LEU 75 2HB LEU 75 5.279 7.376 1.384 556 HG LEU 75 HG LEU 75 4.855 5.235 3.494 557 HD11 LEU 75 1HD1 LEU 75 4.934 7.279 4.823 558 HD12 LEU 75 2HD1 LEU 75 3.895 8.128 3.657 559 HD13 LEU 75 3HD1 LEU 75 3.247 6.784 4.619 560 HD21 LEU 75 3HD2 LEU 75 2.532 5.503 2.688 561 HD22 LEU 75 1HD2 LEU 75 3.078 6.737 1.533 562 HD23 LEU 75 2HD2 LEU 75 3.675 5.077 1.384 563 H GLU 76 H GLU 76 8.865 6.798 1.350 564 HA GLU 76 HA GLU 76 8.579 8.367 -0.973 565 HB2 GLU 76 1HB GLU 76 11.094 7.363 0.421 566 HB3 GLU 76 2HB GLU 76 11.069 8.617 -0.801 567 HG2 GLU 76 1HG GLU 76 9.580 8.767 1.860 568 HG3 GLU 76 2HG GLU 76 11.176 9.435 1.596 569 H ASN 77 H ASN 77 10.409 5.307 -0.597 570 HA ASN 77 HA ASN 77 10.685 5.031 -3.550 571 HB2 ASN 77 1HB ASN 77 11.956 3.464 -1.274 572 HB3 ASN 77 2HB ASN 77 12.348 3.322 -2.981 573 HD21 ASN 77 2HD2 ASN 77 12.604 5.402 -0.113 574 HD22 ASN 77 1HD2 ASN 77 13.910 6.401 -0.762 575 H MET 78 H MET 78 8.551 4.103 -1.181 576 HA MET 78 HA MET 78 6.979 2.482 -0.827 577 HB2 MET 78 1HB MET 78 7.240 1.915 -3.799 578 HB3 MET 78 2HB MET 78 5.956 1.360 -2.735 579 HG2 MET 78 1HG MET 78 6.277 4.287 -2.623 580 HG3 MET 78 2HG MET 78 5.986 3.690 -4.245 581 HE1 MET 78 3HE MET 78 3.077 3.296 -0.681 582 HE2 MET 78 1HE MET 78 4.610 2.403 -0.702 583 HE3 MET 78 2HE MET 78 4.613 4.185 -0.678 584 H VAL 79 H VAL 79 8.876 1.563 0.435 585 HA VAL 79 HA VAL 79 9.246 -1.282 -0.338 586 HB VAL 79 HB VAL 79 11.660 -1.270 0.103 587 HG11 VAL 79 1HG1 VAL 79 10.873 -1.197 -2.224 588 HG12 VAL 79 2HG1 VAL 79 10.992 0.580 -2.198 589 HG13 VAL 79 3HG1 VAL 79 12.441 -0.417 -2.003 590 HG21 VAL 79 3HG2 VAL 79 12.947 0.852 0.072 591 HG22 VAL 79 1HG2 VAL 79 11.427 1.762 0.117 592 HG23 VAL 79 2HG2 VAL 79 11.893 0.727 1.481 593 H GLN 80 H GLN 80 10.074 -2.677 1.265 594 HA GLN 80 HA GLN 80 9.732 -1.855 4.109 595 HB2 GLN 80 1HB GLN 80 9.311 -4.506 2.632 596 HB3 GLN 80 2HB GLN 80 9.074 -4.273 4.363 597 HG2 GLN 80 1HG GLN 80 7.506 -2.814 2.197 598 HG3 GLN 80 2HG GLN 80 6.988 -4.297 2.985 599 HE21 GLN 80 2HE2 GLN 80 5.060 -2.782 3.506 600 HE22 GLN 80 1HE2 GLN 80 5.227 -1.896 5.009 601 H TYR 81 H TYR 81 11.463 -2.160 5.429 602 HA TYR 81 HA TYR 81 13.409 -4.303 4.906 603 HB2 TYR 81 1HB TYR 81 15.339 -2.720 5.124 604 HB3 TYR 81 2HB TYR 81 14.467 -2.654 3.626 605 HD1 TYR 81 1HD TYR 81 14.636 -0.848 6.950 606 HD2 TYR 81 2HD TYR 81 13.770 -0.625 2.730 607 HE1 TYR 81 1HE TYR 81 14.487 1.612 7.115 608 HE2 TYR 81 2HE TYR 81 13.666 1.835 2.869 609 HH TYR 81 HH TYR 81 14.152 3.596 5.976 610 H ARG 82 H ARG 82 14.956 -4.646 6.653 611 HA ARG 82 HA ARG 82 13.762 -4.371 9.301 612 HB2 ARG 82 1HB ARG 82 16.459 -5.448 8.356 613 HB3 ARG 82 2HB ARG 82 15.892 -5.488 10.035 614 HG2 ARG 82 1HG ARG 82 13.878 -6.790 9.285 615 HG3 ARG 82 2HG ARG 82 14.576 -6.856 7.653 616 HD2 ARG 82 1HD ARG 82 16.542 -8.079 8.537 617 HD3 ARG 82 2HD ARG 82 15.886 -7.946 10.174 618 HE ARG 82 HE ARG 82 14.379 -9.632 9.764 619 HH11 ARG 82 1HH1 ARG 82 15.849 -8.878 6.586 620 HH12 ARG 82 2HH1 ARG 82 15.068 -10.309 5.897 621 HH21 ARG 82 1HH2 ARG 82 13.535 -11.441 8.659 622 HH22 ARG 82 2HH2 ARG 82 13.920 -11.591 6.938 623 H ARG 83 H ARG 83 14.347 -3.028 10.959 624 HA ARG 83 HA ARG 83 15.097 -0.412 10.521 625 HB2 ARG 83 1HB ARG 83 15.359 -2.122 13.022 626 HB3 ARG 83 2HB ARG 83 15.694 -0.389 13.015 627 HG2 ARG 83 1HG ARG 83 13.425 0.147 12.365 628 HG3 ARG 83 2HG ARG 83 13.025 -1.564 12.153 629 HD2 ARG 83 1HD ARG 83 12.161 -0.697 14.309 630 HD3 ARG 83 2HD ARG 83 13.288 -2.025 14.506 631 HE ARG 83 HE ARG 83 14.880 -0.624 15.464 632 HH11 ARG 83 1HH1 ARG 83 12.021 1.347 14.653 633 HH12 ARG 83 2HH1 ARG 83 12.691 2.739 15.452 634 HH21 ARG 83 1HH2 ARG 83 15.611 1.197 16.508 635 HH22 ARG 83 2HH2 ARG 83 14.651 2.645 16.519 636 H ASN 84 H ASN 84 17.365 -3.009 11.429 637 HA ASN 84 HA ASN 84 19.655 -1.143 11.460 638 HB2 ASN 84 1HB ASN 84 19.123 -2.826 13.279 639 HB3 ASN 84 2HB ASN 84 19.579 -4.093 12.140 640 HD21 ASN 84 2HD2 ASN 84 21.707 -4.729 12.380 641 HD22 ASN 84 1HD2 ASN 84 22.998 -3.692 12.967 642 H GLU 85 H GLU 85 18.178 -2.731 8.962 643 HA GLU 85 HA GLU 85 20.649 -3.148 7.414 644 HB2 GLU 85 1HB GLU 85 20.163 -5.243 8.744 645 HB3 GLU 85 2HB GLU 85 18.669 -5.418 7.825 646 HG2 GLU 85 1HG GLU 85 19.974 -5.606 5.739 647 HG3 GLU 85 2HG GLU 85 21.465 -5.266 6.619 648 H HIS 86 H HIS 86 19.336 -1.101 6.812 649 HA HIS 86 HA HIS 86 16.931 -1.250 5.364 650 HB2 HIS 86 1HB HIS 86 17.457 0.999 4.629 651 HB3 HIS 86 2HB HIS 86 17.816 0.785 6.340 652 HD2 HIS 86 2HD HIS 86 20.308 1.188 7.128 653 HE1 HIS 86 1HE HIS 86 22.067 1.942 3.326 654 HE2 HIS 86 2HE HIS 86 22.464 1.976 5.843 655 H GLY 87 H GLY 87 20.089 -2.077 4.271 656 HA2 GLY 87 1HA GLY 87 19.706 -1.851 1.416 657 HA3 GLY 87 2HA GLY 87 20.965 -2.798 2.245 658 H ARG 88 H ARG 88 18.423 -4.174 3.630 659 HA ARG 88 HA ARG 88 18.213 -6.333 1.664 660 HB2 ARG 88 1HB ARG 88 18.243 -6.198 4.458 661 HB3 ARG 88 2HB ARG 88 16.570 -6.564 4.126 662 HG2 ARG 88 1HG ARG 88 19.031 -8.116 3.225 663 HG3 ARG 88 2HG ARG 88 17.880 -8.594 4.474 664 HD2 ARG 88 1HD ARG 88 16.088 -8.792 2.777 665 HD3 ARG 88 2HD ARG 88 17.222 -8.332 1.505 666 HE ARG 88 HE ARG 88 16.859 -10.938 2.628 667 HH11 ARG 88 1HH1 ARG 88 19.549 -8.989 1.338 668 HH12 ARG 88 2HH1 ARG 88 20.353 -10.418 0.758 669 HH21 ARG 88 1HH2 ARG 88 17.830 -12.565 1.873 670 HH22 ARG 88 2HH2 ARG 88 19.394 -12.486 1.068 671 H ARG 89 H ARG 89 16.777 -3.592 1.347 672 HA ARG 89 HA ARG 89 14.100 -3.801 1.873 673 HB2 ARG 89 1HB ARG 89 13.773 -1.854 0.464 674 HB3 ARG 89 2HB ARG 89 15.200 -1.723 1.484 675 HG2 ARG 89 1HG ARG 89 16.663 -2.236 -0.412 676 HG3 ARG 89 2HG ARG 89 15.236 -2.384 -1.475 677 HD2 ARG 89 1HD ARG 89 14.663 -0.030 -1.006 678 HD3 ARG 89 2HD ARG 89 16.085 0.113 0.051 679 HE ARG 89 HE ARG 89 16.973 -0.808 -2.467 680 HH11 ARG 89 1HH1 ARG 89 15.568 2.167 -1.157 681 HH12 ARG 89 2HH1 ARG 89 16.270 3.153 -2.406 682 HH21 ARG 89 1HH2 ARG 89 17.863 0.528 -4.032 683 HH22 ARG 89 2HH2 ARG 89 17.561 2.238 -3.998 684 H ARG 90 H ARG 90 12.216 -4.103 0.899 685 HA ARG 90 HA ARG 90 12.049 -5.609 -1.684 686 HB2 ARG 90 1HB ARG 90 10.632 -6.256 0.947 687 HB3 ARG 90 2HB ARG 90 10.379 -7.095 -0.581 688 HG2 ARG 90 1HG ARG 90 12.978 -7.064 1.013 689 HG3 ARG 90 2HG ARG 90 11.804 -8.372 0.982 690 HD2 ARG 90 1HD ARG 90 12.201 -8.806 -1.360 691 HD3 ARG 90 2HD ARG 90 13.215 -7.379 -1.526 692 HE ARG 90 HE ARG 90 13.937 -9.823 0.075 693 HH11 ARG 90 1HH1 ARG 90 15.166 -6.916 -1.568 694 HH12 ARG 90 2HH1 ARG 90 16.718 -7.664 -1.833 695 HH21 ARG 90 1HH2 ARG 90 15.820 -10.587 -0.125 696 HH22 ARG 90 2HH2 ARG 90 17.132 -9.776 -0.989 697 H LYS 91 H LYS 91 10.323 -5.138 -2.955 698 HA LYS 91 HA LYS 91 9.167 -2.543 -2.686 699 HB2 LYS 91 1HB LYS 91 9.101 -4.842 -4.605 700 HB3 LYS 91 2HB LYS 91 7.821 -3.665 -4.776 701 HG2 LYS 91 1HG LYS 91 10.729 -2.793 -4.639 702 HG3 LYS 91 2HG LYS 91 10.034 -3.397 -6.135 703 HD2 LYS 91 1HD LYS 91 9.034 -0.981 -4.572 704 HD3 LYS 91 2HD LYS 91 9.985 -0.943 -6.051 705 HE2 LYS 91 1HE LYS 91 7.107 -1.846 -5.700 706 HE3 LYS 91 2HE LYS 91 7.704 -0.460 -6.604 707 HZ1 LYS 91 3HZ LYS 91 7.182 -2.218 -8.132 708 HZ2 LYS 91 1HZ LYS 91 8.809 -2.074 -8.125 709 HZ3 LYS 91 2HZ LYS 91 8.085 -3.324 -7.336 710 H ILE 92 H ILE 92 7.166 -1.755 -2.497 711 HA ILE 92 HA ILE 92 4.821 -3.517 -2.065 712 HB ILE 92 HB ILE 92 3.982 -1.960 -0.283 713 HG12 ILE 92 1HG1 ILE 92 6.871 -1.054 -0.161 714 HG13 ILE 92 2HG1 ILE 92 5.510 -0.103 -0.780 715 HG21 ILE 92 1HG2 ILE 92 4.810 -4.177 0.220 716 HG22 ILE 92 2HG2 ILE 92 6.464 -3.574 0.385 717 HG23 ILE 92 3HG2 ILE 92 5.183 -3.063 1.518 718 HD11 ILE 92 3HD1 ILE 92 5.835 0.722 1.376 719 HD12 ILE 92 1HD1 ILE 92 4.517 -0.456 1.624 720 HD13 ILE 92 2HD1 ILE 92 6.195 -0.870 2.047 721 H LYS 93 H LYS 93 2.760 -2.224 -2.156 722 HA LYS 93 HA LYS 93 2.804 0.324 -3.565 723 HB2 LYS 93 1HB LYS 93 1.628 -0.332 -5.543 724 HB3 LYS 93 2HB LYS 93 3.074 -1.326 -5.451 725 HG2 LYS 93 1HG LYS 93 1.789 -3.250 -4.711 726 HG3 LYS 93 2HG LYS 93 0.327 -2.282 -4.501 727 HD2 LYS 93 1HD LYS 93 0.206 -1.825 -6.893 728 HD3 LYS 93 2HD LYS 93 1.660 -2.811 -7.178 729 HE2 LYS 93 1HE LYS 93 0.566 -4.819 -6.468 730 HE3 LYS 93 2HE LYS 93 -0.766 -3.929 -5.716 731 HZ1 LYS 93 3HZ LYS 93 -1.356 -4.927 -7.878 732 HZ2 LYS 93 1HZ LYS 93 -1.599 -3.316 -7.840 733 HZ3 LYS 93 2HZ LYS 93 -0.296 -3.939 -8.639 734 H ARG 94 H ARG 94 0.626 1.167 -3.971 735 HA ARG 94 HA ARG 94 -1.489 0.196 -2.085 736 HB2 ARG 94 1HB ARG 94 -1.034 2.910 -3.401 737 HB3 ARG 94 2HB ARG 94 -2.548 2.431 -2.620 738 HG2 ARG 94 1HG ARG 94 -1.344 2.013 -0.506 739 HG3 ARG 94 2HG ARG 94 0.169 2.553 -1.251 740 HD2 ARG 94 1HD ARG 94 -0.708 4.376 0.039 741 HD3 ARG 94 2HD ARG 94 -0.875 4.800 -1.656 742 HE ARG 94 HE ARG 94 -3.048 4.013 0.262 743 HH11 ARG 94 1HH1 ARG 94 -2.314 5.267 -2.987 744 HH12 ARG 94 2HH1 ARG 94 -3.955 5.783 -3.229 745 HH21 ARG 94 1HH2 ARG 94 -5.040 4.822 -0.059 746 HH22 ARG 94 2HH2 ARG 94 -5.500 5.492 -1.610 747 H ASP 95 H ASP 95 -3.570 -0.127 -2.910 748 HA ASP 95 HA ASP 95 -4.182 0.321 -5.734 749 HB2 ASP 95 1HB ASP 95 -3.143 -2.204 -5.069 750 HB3 ASP 95 2HB ASP 95 -4.895 -2.441 -5.010 751 H ILE 96 H ILE 96 -6.478 -0.726 -6.145 752 HA ILE 96 HA ILE 96 -8.305 0.011 -3.878 753 HB ILE 96 HB ILE 96 -8.576 0.760 -6.801 754 HG12 ILE 96 1HG1 ILE 96 -6.842 2.129 -5.674 755 HG13 ILE 96 2HG1 ILE 96 -8.228 3.066 -6.192 756 HG21 ILE 96 1HG2 ILE 96 -10.797 0.463 -5.894 757 HG22 ILE 96 2HG2 ILE 96 -10.381 1.296 -4.378 758 HG23 ILE 96 3HG2 ILE 96 -10.519 2.200 -5.899 759 HD11 ILE 96 3HD1 ILE 96 -7.322 3.615 -3.876 760 HD12 ILE 96 1HD1 ILE 96 -9.065 3.277 -3.964 761 HD13 ILE 96 2HD1 ILE 96 -7.964 2.037 -3.352 762 H ILE 97 H ILE 97 -10.049 -1.187 -3.623 763 HA ILE 97 HA ILE 97 -10.492 -3.578 -5.354 764 HB ILE 97 HB ILE 97 -11.787 -2.899 -2.715 765 HG12 ILE 97 1HG1 ILE 97 -10.376 -5.039 -2.083 766 HG13 ILE 97 2HG1 ILE 97 -9.305 -4.490 -3.360 767 HG21 ILE 97 1HG2 ILE 97 -13.209 -4.283 -4.024 768 HG22 ILE 97 2HG2 ILE 97 -11.867 -5.379 -4.447 769 HG23 ILE 97 3HG2 ILE 97 -12.482 -5.287 -2.777 770 HD11 ILE 97 3HD1 ILE 97 -8.981 -3.726 -0.848 771 HD12 ILE 97 1HD1 ILE 97 -8.712 -2.540 -2.146 772 HD13 ILE 97 2HD1 ILE 97 -10.220 -2.532 -1.197 773 H ASP 98 H ASP 98 -12.289 -3.825 -6.547 774 HA ASP 98 HA ASP 98 -14.177 -1.533 -6.775 775 HB2 ASP 98 1HB ASP 98 -12.800 -2.246 -8.735 776 HB3 ASP 98 2HB ASP 98 -13.624 -3.803 -8.717 777 H ILE 99 H ILE 99 -14.134 -4.842 -5.864 778 HA ILE 99 HA ILE 99 -15.563 -6.176 -4.767 779 HB ILE 99 HB ILE 99 -17.661 -4.012 -4.904 780 HG12 ILE 99 1HG1 ILE 99 -15.596 -3.242 -3.738 781 HG13 ILE 99 2HG1 ILE 99 -17.014 -3.299 -2.716 782 HG21 ILE 99 1HG2 ILE 99 -18.711 -6.124 -4.416 783 HG22 ILE 99 2HG2 ILE 99 -17.525 -6.476 -3.142 784 HG23 ILE 99 3HG2 ILE 99 -18.672 -5.135 -2.959 785 HD11 ILE 99 3HD1 ILE 99 -14.870 -4.098 -1.655 786 HD12 ILE 99 1HD1 ILE 99 -16.213 -5.254 -1.555 787 HD13 ILE 99 2HD1 ILE 99 -14.911 -5.504 -2.734 788 HA PRO 100 HA PRO 100 -17.492 -8.062 -8.354 789 HB2 PRO 100 1HB PRO 100 -17.928 -10.570 -7.405 790 HB3 PRO 100 2HB PRO 100 -16.283 -9.939 -7.702 791 HG2 PRO 100 1HG PRO 100 -17.805 -10.033 -5.071 792 HG3 PRO 100 2HG PRO 100 -16.129 -10.581 -5.390 793 HD2 PRO 100 1HD PRO 100 -16.715 -8.104 -4.353 794 HD3 PRO 100 2HD PRO 100 -15.321 -8.374 -5.437 795 H LYS 101 H LYS 101 -19.534 -9.154 -8.928 796 HA LYS 101 HA LYS 101 -21.809 -7.806 -7.882 797 HB2 LYS 101 1HB LYS 101 -23.140 -9.240 -9.321 798 HB3 LYS 101 2HB LYS 101 -21.721 -8.608 -10.152 799 HG2 LYS 101 1HG LYS 101 -20.583 -10.806 -9.922 800 HG3 LYS 101 2HG LYS 101 -21.951 -11.429 -8.997 801 HD2 LYS 101 1HD LYS 101 -22.100 -12.238 -11.274 802 HD3 LYS 101 2HD LYS 101 -23.444 -11.165 -10.912 803 HE2 LYS 101 1HE LYS 101 -22.715 -10.678 -13.135 804 HE3 LYS 101 2HE LYS 101 -22.276 -9.306 -12.123 805 HZ1 LYS 101 3HZ LYS 101 -20.473 -9.957 -13.615 806 HZ2 LYS 101 1HZ LYS 101 -19.992 -10.172 -12.070 807 HZ3 LYS 101 2HZ LYS 101 -20.418 -11.461 -12.986 808 H LYS 102 H LYS 102 -20.501 -10.955 -6.983 809 HA LYS 102 HA LYS 102 -22.637 -11.841 -5.284 810 HB2 LYS 102 1HB LYS 102 -20.789 -13.199 -6.275 811 HB3 LYS 102 2HB LYS 102 -19.648 -12.444 -5.154 812 HG2 LYS 102 1HG LYS 102 -20.897 -13.394 -3.234 813 HG3 LYS 102 2HG LYS 102 -22.079 -14.110 -4.338 814 HD2 LYS 102 1HD LYS 102 -19.099 -14.774 -4.255 815 HD3 LYS 102 2HD LYS 102 -20.379 -15.715 -3.475 816 HE2 LYS 102 1HE LYS 102 -21.443 -16.103 -5.701 817 HE3 LYS 102 2HE LYS 102 -20.121 -15.220 -6.478 818 HZ1 LYS 102 3HZ LYS 102 -19.734 -17.606 -6.528 819 HZ2 LYS 102 1HZ LYS 102 -18.582 -16.895 -5.614 820 HZ3 LYS 102 2HZ LYS 102 -19.806 -17.714 -4.902 821 H GLY 103 H GLY 103 -20.181 -9.421 -4.761 822 HA2 GLY 103 1HA GLY 103 -20.469 -9.314 -1.830 823 HA3 GLY 103 2HA GLY 103 -19.447 -8.294 -2.875 824 H VAL 104 H VAL 104 -22.257 -8.001 -4.394 825 HA VAL 104 HA VAL 104 -22.836 -5.390 -3.205 826 HB VAL 104 HB VAL 104 -24.251 -6.845 -5.476 827 HG11 VAL 104 1HG1 VAL 104 -25.757 -5.170 -4.470 828 HG12 VAL 104 2HG1 VAL 104 -24.469 -3.947 -4.533 829 HG13 VAL 104 3HG1 VAL 104 -25.170 -4.595 -6.032 830 HG21 VAL 104 3HG2 VAL 104 -23.019 -5.261 -6.931 831 HG22 VAL 104 1HG2 VAL 104 -22.172 -4.608 -5.512 832 HG23 VAL 104 2HG2 VAL 104 -21.902 -6.283 -6.027 833 H SER 105 H SER 105 -24.021 -5.148 -1.483 834 HA SER 105 HA SER 105 -26.656 -6.275 -1.014 835 HB2 SER 105 1HB SER 105 -24.256 -7.249 0.587 836 HB3 SER 105 2HB SER 105 -25.872 -7.175 1.295 837 HG SER 105 HG SER 105 -25.283 -8.579 -1.115 838 H GLY 106 H GLY 106 -27.672 -5.273 0.872 839 HA2 GLY 106 1HA GLY 106 -26.857 -2.529 1.269 840 HA3 GLY 106 2HA GLY 106 -28.215 -3.343 2.055 841 HA PRO 107 HA PRO 107 -24.323 -3.366 4.897 842 HB2 PRO 107 1HB PRO 107 -23.685 -0.845 5.676 843 HB3 PRO 107 2HB PRO 107 -23.090 -1.541 4.139 844 HG2 PRO 107 1HG PRO 107 -25.499 0.268 4.544 845 HG3 PRO 107 2HG PRO 107 -24.164 0.455 3.361 846 HD2 PRO 107 1HD PRO 107 -26.542 -0.726 2.704 847 HD3 PRO 107 2HD PRO 107 -24.988 -1.288 2.011 848 H SER 108 H SER 108 -24.384 -3.219 7.216 849 HA SER 108 HA SER 108 -27.030 -3.155 8.346 850 HB2 SER 108 1HB SER 108 -24.342 -3.350 9.749 851 HB3 SER 108 2HB SER 108 -25.919 -3.818 10.406 852 HG SER 108 HG SER 108 -24.743 -5.632 9.594 853 H SER 109 H SER 109 -25.062 -0.524 7.728 854 HA SER 109 HA SER 109 -26.559 1.313 9.378 855 HB2 SER 109 1HB SER 109 -24.887 0.355 11.033 856 HB3 SER 109 2HB SER 109 -23.601 1.047 10.033 857 HG SER 109 HG SER 109 -24.260 2.435 11.781 858 H GLY 110 H GLY 110 -25.839 3.579 9.000 859 HA2 GLY 110 1HA GLY 110 -23.985 4.373 6.982 860 HA3 GLY 110 2HA GLY 110 -25.572 4.180 6.234 861 H5'1 ATP 201 H5" ATP 111 12.204 -14.382 6.284 862 H5'2 ATP 201 H5' ATP 111 11.947 -12.705 6.766 863 H4' ATP 201 H4' ATP 111 9.975 -14.284 6.987 864 H3' ATP 201 H3' ATP 111 10.450 -15.068 4.378 865 HO3' ATP 201 H3T ATP 111 8.075 -15.603 4.491 866 H2' ATP 201 H2' ATP 111 9.964 -12.936 3.434 867 HO2' ATP 201 2HO ATP 111 8.514 -14.384 2.370 868 H1' ATP 201 H1' ATP 111 7.596 -12.739 5.307 869 H8 ATP 201 8H ATP 111 10.544 -10.481 4.019 870 HN61 ATP 201 2H6 ATP 111 7.570 -6.887 2.367 871 HN62 ATP 201 1H6 ATP 111 5.836 -6.633 2.614 872 H2 ATP 201 2H ATP 111 4.237 -9.846 5.014 Start of MODEL 9 1 HA PRO 1 HA PRO 1 -33.625 21.207 -14.780 2 HB2 PRO 1 1HB PRO 1 -35.916 21.546 -16.712 3 HB3 PRO 1 2HB PRO 1 -35.725 22.162 -15.044 4 HG2 PRO 1 1HG PRO 1 -35.042 23.479 -17.550 5 HG3 PRO 1 2HG PRO 1 -34.777 24.120 -15.902 6 HD2 PRO 1 1HD PRO 1 -32.698 23.450 -17.586 7 HD3 PRO 1 2HD PRO 1 -32.606 23.351 -15.811 8 H SER 2 H SER 2 -35.234 19.531 -14.096 9 HA SER 2 HA SER 2 -35.877 17.294 -15.828 10 HB2 SER 2 1HB SER 2 -33.469 16.842 -15.423 11 HB3 SER 2 2HB SER 2 -33.763 16.885 -13.676 12 HG SER 2 HG SER 2 -33.759 14.735 -14.652 13 H SER 3 H SER 3 -37.281 15.772 -14.792 14 HA SER 3 HA SER 3 -38.616 16.702 -12.311 15 HB2 SER 3 1HB SER 3 -40.286 14.972 -12.934 16 HB3 SER 3 2HB SER 3 -40.049 16.208 -14.178 17 HG SER 3 HG SER 3 -40.100 14.065 -15.060 18 H GLY 4 H GLY 4 -36.036 14.659 -13.055 19 HA2 GLY 4 1HA GLY 4 -36.602 12.473 -11.193 20 HA3 GLY 4 2HA GLY 4 -35.088 12.770 -12.068 21 H SER 5 H SER 5 -35.575 12.006 -9.273 22 HA SER 5 HA SER 5 -33.622 13.674 -7.965 23 HB2 SER 5 1HB SER 5 -35.741 15.059 -7.725 24 HB3 SER 5 2HB SER 5 -36.414 13.732 -6.765 25 HG SER 5 HG SER 5 -35.396 15.393 -5.485 26 H SER 6 H SER 6 -33.339 12.898 -5.626 27 HA SER 6 HA SER 6 -34.253 10.320 -4.752 28 HB2 SER 6 1HB SER 6 -31.575 10.445 -6.181 29 HB3 SER 6 2HB SER 6 -31.889 9.262 -4.907 30 HG SER 6 HG SER 6 -33.668 9.556 -7.091 31 H GLY 7 H GLY 7 -33.435 9.760 -2.694 32 HA2 GLY 7 1HA GLY 7 -32.064 11.919 -1.165 33 HA3 GLY 7 2HA GLY 7 -32.926 10.520 -0.496 34 H PHE 8 H PHE 8 -30.168 11.584 -0.026 35 HA PHE 8 HA PHE 8 -28.584 9.114 -0.466 36 HB2 PHE 8 1HB PHE 8 -27.850 12.004 -1.096 37 HB3 PHE 8 2HB PHE 8 -26.716 10.684 -1.058 38 HD1 PHE 8 1HD PHE 8 -27.086 8.676 -2.665 39 HD2 PHE 8 2HD PHE 8 -29.080 12.476 -3.103 40 HE1 PHE 8 1HE PHE 8 -27.585 8.144 -5.039 41 HE2 PHE 8 2HE PHE 8 -29.570 11.944 -5.474 42 HZ PHE 8 HZ PHE 8 -28.828 9.776 -6.447 43 H LEU 9 H LEU 9 -26.705 8.969 0.875 44 HA LEU 9 HA LEU 9 -26.418 10.626 3.267 45 HB2 LEU 9 1HB LEU 9 -28.318 9.091 3.802 46 HB3 LEU 9 2HB LEU 9 -27.308 7.710 3.385 47 HG LEU 9 HG LEU 9 -25.811 8.219 5.306 48 HD11 LEU 9 1HD1 LEU 9 -26.112 10.667 5.507 49 HD12 LEU 9 2HD1 LEU 9 -27.824 10.436 5.928 50 HD13 LEU 9 3HD1 LEU 9 -26.544 9.871 7.023 51 HD21 LEU 9 3HD2 LEU 9 -27.392 7.561 7.072 52 HD22 LEU 9 1HD2 LEU 9 -28.761 8.032 6.044 53 HD23 LEU 9 2HD2 LEU 9 -27.715 6.676 5.571 54 H ASP 10 H ASP 10 -24.431 10.290 4.312 55 HA ASP 10 HA ASP 10 -22.489 8.320 3.317 56 HB2 ASP 10 1HB ASP 10 -22.559 10.347 1.741 57 HB3 ASP 10 2HB ASP 10 -21.977 11.294 3.113 58 H LYS 11 H LYS 11 -20.310 8.817 4.391 59 HA LYS 11 HA LYS 11 -20.671 9.449 7.283 60 HB2 LYS 11 1HB LYS 11 -19.604 6.970 5.882 61 HB3 LYS 11 2HB LYS 11 -19.034 7.370 7.478 62 HG2 LYS 11 1HG LYS 11 -21.871 7.652 7.634 63 HG3 LYS 11 2HG LYS 11 -21.583 6.198 6.667 64 HD2 LYS 11 1HD LYS 11 -20.060 5.372 8.518 65 HD3 LYS 11 2HD LYS 11 -20.508 6.821 9.456 66 HE2 LYS 11 1HE LYS 11 -22.930 6.122 9.252 67 HE3 LYS 11 2HE LYS 11 -22.407 4.657 8.417 68 HZ1 LYS 11 3HZ LYS 11 -22.722 4.130 10.687 69 HZ2 LYS 11 1HZ LYS 11 -21.097 4.119 10.467 70 HZ3 LYS 11 2HZ LYS 11 -21.808 5.384 11.225 71 HA PRO 12 HA PRO 12 -17.061 11.836 7.170 72 HB2 PRO 12 1HB PRO 12 -15.986 11.577 9.673 73 HB3 PRO 12 2HB PRO 12 -17.562 12.343 9.353 74 HG2 PRO 12 1HG PRO 12 -16.991 9.488 10.208 75 HG3 PRO 12 2HG PRO 12 -18.179 10.628 10.922 76 HD2 PRO 12 1HD PRO 12 -18.874 8.727 9.074 77 HD3 PRO 12 2HD PRO 12 -19.691 10.298 9.130 78 H THR 13 H THR 13 -14.677 11.904 7.754 79 HA THR 13 HA THR 13 -13.026 9.563 7.432 80 HB THR 13 HB THR 13 -14.077 9.675 5.175 81 HG1 THR 13 1HG THR 13 -12.217 9.179 4.284 82 HG21 THR 13 3HG2 THR 13 -13.659 11.451 3.671 83 HG22 THR 13 1HG2 THR 13 -14.242 12.233 5.134 84 HG23 THR 13 2HG2 THR 13 -12.502 12.244 4.768 85 H LEU 14 H LEU 14 -10.823 10.198 6.816 86 HA LEU 14 HA LEU 14 -9.929 12.658 8.282 87 HB2 LEU 14 1HB LEU 14 -8.504 10.083 7.515 88 HB3 LEU 14 2HB LEU 14 -7.795 11.367 8.474 89 HG LEU 14 HG LEU 14 -10.366 10.161 9.529 90 HD11 LEU 14 1HD1 LEU 14 -9.153 8.224 8.710 91 HD12 LEU 14 2HD1 LEU 14 -7.691 8.724 9.595 92 HD13 LEU 14 3HD1 LEU 14 -9.163 8.256 10.488 93 HD21 LEU 14 3HD2 LEU 14 -9.264 10.508 11.681 94 HD22 LEU 14 1HD2 LEU 14 -7.759 10.994 10.871 95 HD23 LEU 14 2HD2 LEU 14 -9.218 12.001 10.727 96 H LEU 15 H LEU 15 -10.073 11.135 5.183 97 HA LEU 15 HA LEU 15 -7.723 12.366 4.023 98 HB2 LEU 15 1HB LEU 15 -10.027 11.144 2.488 99 HB3 LEU 15 2HB LEU 15 -8.362 11.317 1.975 100 HG LEU 15 HG LEU 15 -9.395 9.402 4.103 101 HD11 LEU 15 1HD1 LEU 15 -9.896 8.778 1.758 102 HD12 LEU 15 2HD1 LEU 15 -8.168 8.899 1.359 103 HD13 LEU 15 3HD1 LEU 15 -8.736 7.666 2.504 104 HD21 LEU 15 3HD2 LEU 15 -7.078 8.493 4.155 105 HD22 LEU 15 1HD2 LEU 15 -6.534 9.847 3.138 106 HD23 LEU 15 2HD2 LEU 15 -7.161 10.143 4.778 107 H SER 16 H SER 16 -8.091 13.279 1.717 108 HA SER 16 HA SER 16 -9.372 15.904 1.967 109 HB2 SER 16 1HB SER 16 -7.372 14.591 0.124 110 HB3 SER 16 2HB SER 16 -8.047 16.137 -0.234 111 HG SER 16 HG SER 16 -6.050 16.315 0.941 112 HA PRO 17 HA PRO 17 -12.777 15.081 -0.744 113 HB2 PRO 17 1HB PRO 17 -12.988 17.385 -2.213 114 HB3 PRO 17 2HB PRO 17 -13.396 17.278 -0.474 115 HG2 PRO 17 1HG PRO 17 -10.794 18.229 -1.718 116 HG3 PRO 17 2HG PRO 17 -11.767 19.028 -0.438 117 HD2 PRO 17 1HD PRO 17 -9.621 17.486 0.179 118 HD3 PRO 17 2HD PRO 17 -11.099 17.468 1.193 119 H GLU 18 H GLU 18 -9.632 15.807 -2.115 120 HA GLU 18 HA GLU 18 -10.317 14.968 -4.834 121 HB2 GLU 18 1HB GLU 18 -7.577 15.340 -3.566 122 HB3 GLU 18 2HB GLU 18 -7.963 15.260 -5.289 123 HG2 GLU 18 1HG GLU 18 -9.371 17.352 -4.985 124 HG3 GLU 18 2HG GLU 18 -8.754 17.461 -3.329 125 H GLU 19 H GLU 19 -9.009 13.419 -1.929 126 HA GLU 19 HA GLU 19 -7.870 11.067 -3.195 127 HB2 GLU 19 1HB GLU 19 -8.701 11.829 -0.370 128 HB3 GLU 19 2HB GLU 19 -8.174 10.209 -0.747 129 HG2 GLU 19 1HG GLU 19 -6.567 12.768 -1.133 130 HG3 GLU 19 2HG GLU 19 -6.394 11.611 0.188 131 H LEU 20 H LEU 20 -10.820 11.724 -1.394 132 HA LEU 20 HA LEU 20 -12.028 9.145 -1.490 133 HB2 LEU 20 1HB LEU 20 -13.336 11.891 -1.351 134 HB3 LEU 20 2HB LEU 20 -14.080 10.392 -0.824 135 HG LEU 20 HG LEU 20 -11.458 11.252 0.459 136 HD11 LEU 20 1HD1 LEU 20 -12.961 13.214 0.347 137 HD12 LEU 20 2HD1 LEU 20 -14.163 12.318 1.297 138 HD13 LEU 20 3HD1 LEU 20 -12.551 12.693 1.989 139 HD21 LEU 20 3HD2 LEU 20 -12.304 10.056 2.365 140 HD22 LEU 20 1HD2 LEU 20 -13.886 9.813 1.591 141 HD23 LEU 20 2HD2 LEU 20 -12.436 9.009 0.946 142 H LYS 21 H LYS 21 -12.639 12.049 -3.471 143 HA LYS 21 HA LYS 21 -14.308 10.797 -5.442 144 HB2 LYS 21 1HB LYS 21 -12.604 13.280 -5.368 145 HB3 LYS 21 2HB LYS 21 -13.193 12.719 -6.920 146 HG2 LYS 21 1HG LYS 21 -14.651 14.424 -5.871 147 HG3 LYS 21 2HG LYS 21 -15.471 12.932 -6.326 148 HD2 LYS 21 1HD LYS 21 -15.605 12.199 -4.012 149 HD3 LYS 21 2HD LYS 21 -14.597 13.556 -3.479 150 HE2 LYS 21 1HE LYS 21 -16.320 15.153 -4.294 151 HE3 LYS 21 2HE LYS 21 -17.322 13.800 -4.832 152 HZ1 LYS 21 3HZ LYS 21 -18.021 14.609 -2.661 153 HZ2 LYS 21 1HZ LYS 21 -17.476 13.078 -2.511 154 HZ3 LYS 21 2HZ LYS 21 -16.547 14.332 -2.015 155 H ALA 22 H ALA 22 -10.693 11.007 -5.388 156 HA ALA 22 HA ALA 22 -10.370 9.721 -7.937 157 HB1 ALA 22 1HB ALA 22 -8.597 11.040 -6.886 158 HB2 ALA 22 2HB ALA 22 -8.480 9.879 -5.546 159 HB3 ALA 22 3HB ALA 22 -8.032 9.387 -7.192 160 H ALA 23 H ALA 23 -10.467 8.321 -4.624 161 HA ALA 23 HA ALA 23 -10.153 5.582 -5.410 162 HB1 ALA 23 1HB ALA 23 -9.890 6.453 -3.091 163 HB2 ALA 23 2HB ALA 23 -11.637 6.787 -3.023 164 HB3 ALA 23 3HB ALA 23 -11.053 5.117 -3.167 165 H SER 24 H SER 24 -13.104 7.554 -4.935 166 HA SER 24 HA SER 24 -15.008 5.511 -5.480 167 HB2 SER 24 1HB SER 24 -15.391 7.679 -4.328 168 HB3 SER 24 2HB SER 24 -15.290 8.503 -5.897 169 HG SER 24 HG SER 24 -17.476 7.995 -5.257 170 H ARG 25 H ARG 25 -13.423 7.800 -7.754 171 HA ARG 25 HA ARG 25 -14.809 6.915 -10.097 172 HB2 ARG 25 1HB ARG 25 -12.234 8.416 -9.529 173 HB3 ARG 25 2HB ARG 25 -12.725 8.025 -11.158 174 HG2 ARG 25 1HG ARG 25 -14.466 9.617 -9.231 175 HG3 ARG 25 2HG ARG 25 -13.358 10.326 -10.408 176 HD2 ARG 25 1HD ARG 25 -14.613 9.228 -12.250 177 HD3 ARG 25 2HD ARG 25 -15.761 8.575 -11.061 178 HE ARG 25 HE ARG 25 -15.568 11.387 -10.694 179 HH11 ARG 25 1HH1 ARG 25 -16.903 9.129 -13.070 180 HH12 ARG 25 2HH1 ARG 25 -18.128 10.252 -13.583 181 HH21 ARG 25 1HH2 ARG 25 -17.170 12.787 -11.403 182 HH22 ARG 25 2HH2 ARG 25 -18.273 12.293 -12.651 183 H GLY 26 H GLY 26 -12.284 5.422 -8.249 184 HA2 GLY 26 1HA GLY 26 -11.455 3.533 -10.383 185 HA3 GLY 26 2HA GLY 26 -10.964 3.525 -8.668 186 H ASN 27 H ASN 27 -13.032 3.327 -7.196 187 HA ASN 27 HA ASN 27 -15.263 1.777 -8.128 188 HB2 ASN 27 1HB ASN 27 -13.468 -0.014 -8.084 189 HB3 ASN 27 2HB ASN 27 -13.304 0.271 -6.354 190 HD21 ASN 27 2HD2 ASN 27 -15.378 -1.048 -8.907 191 HD22 ASN 27 1HD2 ASN 27 -16.418 -1.937 -7.816 192 H GLY 28 H GLY 28 -13.411 3.109 -5.441 193 HA2 GLY 28 1HA GLY 28 -14.368 4.201 -3.531 194 HA3 GLY 28 2HA GLY 28 -15.816 3.176 -3.649 195 H GLU 29 H GLU 29 -12.510 1.942 -3.878 196 HA GLU 29 HA GLU 29 -12.460 0.922 -1.116 197 HB2 GLU 29 1HB GLU 29 -13.223 -0.746 -3.313 198 HB3 GLU 29 2HB GLU 29 -11.557 -1.116 -2.963 199 HG2 GLU 29 1HG GLU 29 -12.982 -2.600 -1.671 200 HG3 GLU 29 2HG GLU 29 -12.084 -1.540 -0.594 201 H TYR 30 H TYR 30 -10.212 -0.444 -1.003 202 HA TYR 30 HA TYR 30 -8.027 0.434 -2.628 203 HB2 TYR 30 1HB TYR 30 -6.866 1.867 -1.092 204 HB3 TYR 30 2HB TYR 30 -8.429 2.568 -1.443 205 HD1 TYR 30 1HD TYR 30 -10.360 2.064 0.269 206 HD2 TYR 30 2HD TYR 30 -6.184 1.440 1.141 207 HE1 TYR 30 1HE TYR 30 -10.862 2.144 2.711 208 HE2 TYR 30 2HE TYR 30 -6.681 1.477 3.578 209 HH TYR 30 HH TYR 30 -10.002 1.998 4.843 210 H ALA 31 H ALA 31 -6.075 -0.552 -2.136 211 HA ALA 31 HA ALA 31 -5.728 -2.165 0.305 212 HB1 ALA 31 1HB ALA 31 -6.854 -3.835 -0.907 213 HB2 ALA 31 2HB ALA 31 -6.148 -3.347 -2.464 214 HB3 ALA 31 3HB ALA 31 -5.164 -4.188 -1.241 215 H TRP 32 H TRP 32 -3.672 -2.877 0.670 216 HA TRP 32 HA TRP 32 -1.442 -1.684 -0.922 217 HB2 TRP 32 1HB TRP 32 -1.649 -2.671 1.950 218 HB3 TRP 32 2HB TRP 32 -0.123 -2.338 1.147 219 HD1 TRP 32 HD TRP 32 -3.318 -0.389 2.114 220 HE1 TRP 32 1HE TRP 32 -2.719 2.052 2.490 221 HE3 TRP 32 3HE TRP 32 1.668 -0.649 0.965 222 HZ2 TRP 32 2HZ TRP 32 -0.284 3.715 2.378 223 HZ3 TRP 32 3HZ TRP 32 3.070 1.406 1.047 224 HH2 TRP 32 HH TRP 32 2.093 3.547 1.740 225 H TYR 33 H TYR 33 0.209 -2.981 -1.673 226 HA TYR 33 HA TYR 33 0.102 -5.920 -1.233 227 HB2 TYR 33 1HB TYR 33 0.223 -4.536 -3.932 228 HB3 TYR 33 2HB TYR 33 0.631 -6.219 -3.685 229 HD1 TYR 33 1HD TYR 33 -2.178 -3.763 -3.500 230 HD2 TYR 33 2HD TYR 33 -1.018 -7.913 -3.709 231 HE1 TYR 33 1HE TYR 33 -4.542 -4.401 -3.899 232 HE2 TYR 33 2HE TYR 33 -3.393 -8.555 -4.091 233 HH TYR 33 HH TYR 33 -6.010 -6.111 -4.351 234 H TYR 34 H TYR 34 2.072 -7.004 -1.460 235 HA TYR 34 HA TYR 34 4.528 -5.382 -1.985 236 HB2 TYR 34 1HB TYR 34 5.666 -6.393 -0.157 237 HB3 TYR 34 2HB TYR 34 4.175 -5.712 0.458 238 HD1 TYR 34 1HD TYR 34 2.257 -7.242 1.092 239 HD2 TYR 34 2HD TYR 34 6.152 -8.746 0.006 240 HE1 TYR 34 1HE TYR 34 1.686 -9.435 2.102 241 HE2 TYR 34 2HE TYR 34 5.587 -10.943 1.026 242 HH TYR 34 HH TYR 34 2.399 -11.579 2.550 243 H GLU 35 H GLU 35 6.293 -6.492 -2.943 244 HA GLU 35 HA GLU 35 5.606 -8.939 -4.421 245 HB2 GLU 35 1HB GLU 35 8.226 -7.403 -4.225 246 HB3 GLU 35 2HB GLU 35 7.941 -8.839 -5.216 247 HG2 GLU 35 1HG GLU 35 5.988 -7.524 -6.284 248 HG3 GLU 35 2HG GLU 35 6.702 -6.096 -5.520 249 H GLY 36 H GLY 36 5.480 -10.775 -3.364 250 HA2 GLY 36 1HA GLY 36 7.388 -11.568 -1.206 251 HA3 GLY 36 2HA GLY 36 5.938 -12.440 -1.730 252 H ARG 37 H ARG 37 7.041 -14.405 -1.980 253 HA ARG 37 HA ARG 37 9.398 -14.672 -3.636 254 HB2 ARG 37 1HB ARG 37 8.796 -16.157 -1.737 255 HB3 ARG 37 2HB ARG 37 7.448 -16.808 -2.681 256 HG2 ARG 37 1HG ARG 37 9.031 -17.693 -4.365 257 HG3 ARG 37 2HG ARG 37 10.378 -16.906 -3.534 258 HD2 ARG 37 1HD ARG 37 10.423 -19.235 -2.950 259 HD3 ARG 37 2HD ARG 37 9.954 -18.318 -1.527 260 HE ARG 37 HE ARG 37 7.862 -19.313 -1.540 261 HH11 ARG 37 1HH1 ARG 37 9.406 -20.126 -4.620 262 HH12 ARG 37 2HH1 ARG 37 8.251 -21.377 -4.972 263 HH21 ARG 37 1HH2 ARG 37 6.434 -20.963 -2.037 264 HH22 ARG 37 2HH2 ARG 37 6.613 -21.861 -3.514 265 H ASN 38 H ASN 38 5.943 -15.226 -4.219 266 HA ASN 38 HA ASN 38 6.489 -16.084 -7.017 267 HB2 ASN 38 1HB ASN 38 4.099 -16.505 -5.204 268 HB3 ASN 38 2HB ASN 38 4.229 -17.119 -6.851 269 HD21 ASN 38 2HD2 ASN 38 4.100 -18.454 -4.051 270 HD22 ASN 38 1HD2 ASN 38 5.431 -19.595 -4.120 271 H GLY 39 H GLY 39 5.292 -13.262 -5.499 272 HA2 GLY 39 1HA GLY 39 4.950 -11.644 -7.648 273 HA3 GLY 39 2HA GLY 39 3.409 -12.486 -7.627 274 H TRP 40 H TRP 40 2.503 -10.326 -7.295 275 HA TRP 40 HA TRP 40 2.875 -8.874 -4.836 276 HB2 TRP 40 1HB TRP 40 0.599 -8.842 -6.847 277 HB3 TRP 40 2HB TRP 40 0.857 -7.662 -5.573 278 HD1 TRP 40 HD TRP 40 1.787 -8.451 -9.079 279 HE1 TRP 40 1HE TRP 40 3.442 -6.746 -10.016 280 HE3 TRP 40 3HE TRP 40 3.021 -6.051 -4.722 281 HZ2 TRP 40 2HZ TRP 40 5.018 -4.527 -9.026 282 HZ3 TRP 40 3HZ TRP 40 4.619 -4.150 -4.760 283 HH2 TRP 40 HH TRP 40 5.598 -3.367 -6.894 284 H TRP 41 H TRP 41 1.994 -9.211 -2.886 285 HA TRP 41 HA TRP 41 -0.497 -10.844 -2.611 286 HB2 TRP 41 1HB TRP 41 1.981 -10.945 -0.852 287 HB3 TRP 41 2HB TRP 41 0.472 -11.815 -0.561 288 HD1 TRP 41 HD TRP 41 3.739 -12.436 -1.902 289 HE1 TRP 41 1HE TRP 41 3.822 -14.345 -3.618 290 HE3 TRP 41 3HE TRP 41 -1.277 -12.994 -2.741 291 HZ2 TRP 41 2HZ TRP 41 1.965 -15.724 -5.350 292 HZ3 TRP 41 3HZ TRP 41 -2.092 -14.556 -4.456 293 HH2 TRP 41 HH TRP 41 -0.488 -15.938 -5.782 294 H GLN 42 H GLN 42 -1.964 -10.199 -1.088 295 HA GLN 42 HA GLN 42 -1.894 -7.337 -0.526 296 HB2 GLN 42 1HB GLN 42 -3.861 -8.715 -1.463 297 HB3 GLN 42 2HB GLN 42 -4.086 -9.322 0.181 298 HG2 GLN 42 1HG GLN 42 -4.333 -6.915 0.948 299 HG3 GLN 42 2HG GLN 42 -4.214 -6.414 -0.741 300 HE21 GLN 42 2HE2 GLN 42 -6.003 -7.191 -2.250 301 HE22 GLN 42 1HE2 GLN 42 -7.560 -7.551 -1.523 302 H TYR 43 H TYR 43 -1.916 -6.327 1.459 303 HA TYR 43 HA TYR 43 -0.832 -7.704 3.781 304 HB2 TYR 43 1HB TYR 43 -1.787 -4.908 3.162 305 HB3 TYR 43 2HB TYR 43 -1.369 -5.365 4.806 306 HD1 TYR 43 2HD TYR 43 0.931 -5.951 5.451 307 HD2 TYR 43 1HD TYR 43 -0.050 -4.659 1.468 308 HE1 TYR 43 2HE TYR 43 3.327 -5.433 5.025 309 HE2 TYR 43 1HE TYR 43 2.325 -4.097 1.041 310 HH TYR 43 HH TYR 43 4.419 -4.148 1.861 311 H ASP 44 H ASP 44 -1.723 -7.575 5.917 312 HA ASP 44 HA ASP 44 -4.505 -8.408 6.200 313 HB2 ASP 44 1HB ASP 44 -2.712 -9.359 7.563 314 HB3 ASP 44 2HB ASP 44 -2.311 -7.764 8.211 315 H GLU 45 H GLU 45 -6.073 -7.294 7.593 316 HA GLU 45 HA GLU 45 -6.398 -4.544 6.761 317 HB2 GLU 45 1HB GLU 45 -8.529 -4.736 8.079 318 HB3 GLU 45 2HB GLU 45 -8.330 -5.906 6.776 319 HG2 GLU 45 1HG GLU 45 -7.814 -7.692 8.330 320 HG3 GLU 45 2HG GLU 45 -7.688 -6.564 9.676 321 H ARG 46 H ARG 46 -5.012 -6.002 9.615 322 HA ARG 46 HA ARG 46 -5.240 -3.473 11.156 323 HB2 ARG 46 1HB ARG 46 -3.830 -5.987 12.045 324 HB3 ARG 46 2HB ARG 46 -4.471 -4.677 13.026 325 HG2 ARG 46 1HG ARG 46 -6.023 -6.875 11.623 326 HG3 ARG 46 2HG ARG 46 -5.937 -6.525 13.344 327 HD2 ARG 46 1HD ARG 46 -7.230 -4.415 12.967 328 HD3 ARG 46 2HD ARG 46 -7.252 -4.769 11.229 329 HE ARG 46 HE ARG 46 -8.938 -6.239 11.462 330 HH11 ARG 46 1HH1 ARG 46 -7.761 -5.760 14.778 331 HH12 ARG 46 2HH1 ARG 46 -9.109 -6.639 15.436 332 HH21 ARG 46 1HH2 ARG 46 -10.521 -7.282 12.295 333 HH22 ARG 46 2HH2 ARG 46 -10.697 -7.525 14.025 334 H THR 47 H THR 47 -3.059 -4.986 8.996 335 HA THR 47 HA THR 47 -0.726 -3.418 9.949 336 HB THR 47 HB THR 47 -0.920 -5.525 7.759 337 HG1 THR 47 1HG THR 47 0.302 -6.660 9.347 338 HG21 THR 47 3HG2 THR 47 1.602 -5.392 7.900 339 HG22 THR 47 1HG2 THR 47 0.847 -3.961 7.181 340 HG23 THR 47 2HG2 THR 47 1.407 -3.898 8.859 341 H SER 48 H SER 48 -2.611 -3.859 6.900 342 HA SER 48 HA SER 48 -1.351 -1.774 5.453 343 HB2 SER 48 1HB SER 48 -3.356 -1.785 4.023 344 HB3 SER 48 2HB SER 48 -2.728 -3.401 4.332 345 HG SER 48 HG SER 48 -4.415 -3.835 5.680 346 H ARG 49 H ARG 49 -3.973 -1.535 7.827 347 HA ARG 49 HA ARG 49 -4.710 1.138 7.232 348 HB2 ARG 49 1HB ARG 49 -5.944 1.142 9.203 349 HB3 ARG 49 2HB ARG 49 -5.974 -0.504 8.609 350 HG2 ARG 49 1HG ARG 49 -5.658 -0.817 10.875 351 HG3 ARG 49 2HG ARG 49 -4.046 -0.997 10.223 352 HD2 ARG 49 1HD ARG 49 -4.217 0.268 12.410 353 HD3 ARG 49 2HD ARG 49 -3.338 1.081 11.144 354 HE ARG 49 HE ARG 49 -6.191 1.784 11.436 355 HH11 ARG 49 1HH1 ARG 49 -2.867 2.764 12.278 356 HH12 ARG 49 2HH1 ARG 49 -3.296 4.469 12.204 357 HH21 ARG 49 1HH2 ARG 49 -6.636 4.005 11.529 358 HH22 ARG 49 2HH2 ARG 49 -5.356 5.117 11.936 359 H GLU 50 H GLU 50 -1.878 -0.093 8.945 360 HA GLU 50 HA GLU 50 -1.262 2.425 10.299 361 HB2 GLU 50 1HB GLU 50 0.564 0.098 9.565 362 HB3 GLU 50 2HB GLU 50 0.972 1.406 10.660 363 HG2 GLU 50 1HG GLU 50 -1.358 -0.492 11.185 364 HG3 GLU 50 2HG GLU 50 0.290 -0.823 11.693 365 H LEU 51 H LEU 51 -0.475 0.900 7.235 366 HA LEU 51 HA LEU 51 1.480 2.814 6.304 367 HB2 LEU 51 1HB LEU 51 -0.207 0.907 4.644 368 HB3 LEU 51 2HB LEU 51 1.400 1.525 4.288 369 HG LEU 51 HG LEU 51 0.689 -0.491 6.469 370 HD11 LEU 51 1HD1 LEU 51 0.496 -1.352 4.179 371 HD12 LEU 51 2HD1 LEU 51 2.179 -0.876 3.856 372 HD13 LEU 51 3HD1 LEU 51 1.813 -2.115 5.084 373 HD21 LEU 51 3HD2 LEU 51 3.179 -0.756 6.669 374 HD22 LEU 51 1HD2 LEU 51 3.357 0.682 5.635 375 HD23 LEU 51 2HD2 LEU 51 2.593 0.814 7.228 376 H GLU 52 H GLU 52 -1.987 2.261 5.674 377 HA GLU 52 HA GLU 52 -2.500 4.462 4.004 378 HB2 GLU 52 1HB GLU 52 -4.013 2.450 4.741 379 HB3 GLU 52 2HB GLU 52 -4.442 3.456 6.111 380 HG2 GLU 52 1HG GLU 52 -6.128 3.742 4.433 381 HG3 GLU 52 2HG GLU 52 -5.221 5.245 4.513 382 H ASP 53 H ASP 53 -2.179 4.391 7.551 383 HA ASP 53 HA ASP 53 -3.403 7.001 7.951 384 HB2 ASP 53 1HB ASP 53 -3.365 4.962 9.498 385 HB3 ASP 53 2HB ASP 53 -1.707 5.368 9.886 386 H ALA 54 H ALA 54 -0.174 5.684 7.738 387 HA ALA 54 HA ALA 54 1.349 7.774 8.834 388 HB1 ALA 54 1HB ALA 54 2.225 5.593 8.494 389 HB2 ALA 54 2HB ALA 54 1.984 5.680 6.735 390 HB3 ALA 54 3HB ALA 54 3.219 6.701 7.515 391 H PHE 55 H PHE 55 0.640 7.386 5.288 392 HA PHE 55 HA PHE 55 1.933 9.891 4.644 393 HB2 PHE 55 1HB PHE 55 1.206 9.599 2.466 394 HB3 PHE 55 2HB PHE 55 1.484 7.975 3.050 395 HD1 PHE 55 1HD PHE 55 -1.132 10.483 2.221 396 HD2 PHE 55 2HD PHE 55 -0.311 6.341 3.081 397 HE1 PHE 55 1HE PHE 55 -3.402 9.870 1.415 398 HE2 PHE 55 2HE PHE 55 -2.566 5.733 2.239 399 HZ PHE 55 HZ PHE 55 -4.118 7.488 1.425 400 H SER 56 H SER 56 -1.176 9.083 5.860 401 HA SER 56 HA SER 56 -2.504 11.624 5.249 402 HB2 SER 56 1HB SER 56 -3.551 9.282 5.631 403 HB3 SER 56 2HB SER 56 -3.359 9.626 7.350 404 HG SER 56 HG SER 56 -5.415 10.293 6.587 405 H LYS 57 H LYS 57 -0.635 10.317 7.987 406 HA LYS 57 HA LYS 57 -1.119 12.557 9.796 407 HB2 LYS 57 1HB LYS 57 0.902 10.296 9.652 408 HB3 LYS 57 2HB LYS 57 0.948 11.520 10.921 409 HG2 LYS 57 1HG LYS 57 -1.002 10.782 11.950 410 HG3 LYS 57 2HG LYS 57 -1.646 10.040 10.484 411 HD2 LYS 57 1HD LYS 57 -0.918 8.312 12.100 412 HD3 LYS 57 2HD LYS 57 -0.052 8.240 10.577 413 HE2 LYS 57 1HE LYS 57 1.733 7.990 11.962 414 HE3 LYS 57 2HE LYS 57 1.756 9.736 11.807 415 HZ1 LYS 57 3HZ LYS 57 1.908 9.110 14.141 416 HZ2 LYS 57 1HZ LYS 57 0.497 9.895 13.899 417 HZ3 LYS 57 2HZ LYS 57 0.508 8.270 14.070 418 H GLY 58 H GLY 58 1.499 11.671 7.524 419 HA2 GLY 58 1HA GLY 58 2.414 13.600 6.210 420 HA3 GLY 58 2HA GLY 58 2.665 14.436 7.758 421 H LYS 59 H LYS 59 3.385 11.284 8.512 422 HA LYS 59 HA LYS 59 6.236 11.684 8.284 423 HB2 LYS 59 1HB LYS 59 6.348 9.272 9.049 424 HB3 LYS 59 2HB LYS 59 5.571 10.403 10.144 425 HG2 LYS 59 1HG LYS 59 3.384 9.602 9.644 426 HG3 LYS 59 2HG LYS 59 3.966 8.748 8.206 427 HD2 LYS 59 1HD LYS 59 3.447 7.215 10.080 428 HD3 LYS 59 2HD LYS 59 5.101 7.114 9.529 429 HE2 LYS 59 1HE LYS 59 5.837 8.544 11.444 430 HE3 LYS 59 2HE LYS 59 4.171 8.580 12.032 431 HZ1 LYS 59 3HZ LYS 59 5.428 6.849 13.148 432 HZ2 LYS 59 1HZ LYS 59 4.306 6.112 12.208 433 HZ3 LYS 59 2HZ LYS 59 5.866 6.158 11.737 434 H LYS 60 H LYS 60 7.728 10.492 7.124 435 HA LYS 60 HA LYS 60 6.847 9.819 4.361 436 HB2 LYS 60 1HB LYS 60 8.973 10.442 3.639 437 HB3 LYS 60 2HB LYS 60 8.525 11.633 4.849 438 HG2 LYS 60 1HG LYS 60 9.978 10.408 6.500 439 HG3 LYS 60 2HG LYS 60 10.486 9.331 5.180 440 HD2 LYS 60 1HD LYS 60 11.340 11.281 3.913 441 HD3 LYS 60 2HD LYS 60 10.852 12.357 5.240 442 HE2 LYS 60 1HE LYS 60 12.361 11.124 6.790 443 HE3 LYS 60 2HE LYS 60 12.853 10.058 5.466 444 HZ1 LYS 60 3HZ LYS 60 14.444 11.854 5.795 445 HZ2 LYS 60 1HZ LYS 60 13.756 12.007 4.322 446 HZ3 LYS 60 2HZ LYS 60 13.300 12.993 5.547 447 H ASN 61 H ASN 61 7.384 8.099 7.097 448 HA ASN 61 HA ASN 61 7.419 5.603 5.801 449 HB2 ASN 61 1HB ASN 61 9.542 4.654 6.559 450 HB3 ASN 61 2HB ASN 61 9.869 6.023 5.510 451 HD21 ASN 61 2HD2 ASN 61 10.381 8.087 6.563 452 HD22 ASN 61 1HD2 ASN 61 11.227 8.087 8.102 453 H THR 62 H THR 62 7.168 3.861 7.289 454 HA THR 62 HA THR 62 6.682 4.481 10.142 455 HB THR 62 HB THR 62 4.618 5.093 8.842 456 HG1 THR 62 1HG THR 62 3.358 4.000 10.478 457 HG21 THR 62 3HG2 THR 62 3.051 3.260 8.311 458 HG22 THR 62 1HG2 THR 62 4.476 3.213 7.267 459 HG23 THR 62 2HG2 THR 62 4.318 2.057 8.611 460 H GLU 63 H GLU 63 5.599 2.295 11.109 461 HA GLU 63 HA GLU 63 7.469 0.084 10.359 462 HB2 GLU 63 1HB GLU 63 6.950 1.406 13.045 463 HB3 GLU 63 2HB GLU 63 7.675 -0.197 12.890 464 HG2 GLU 63 1HG GLU 63 9.466 0.700 11.499 465 HG3 GLU 63 2HG GLU 63 8.797 2.329 11.604 466 H MET 64 H MET 64 6.837 -1.959 10.731 467 HA MET 64 HA MET 64 4.205 -2.623 11.888 468 HB2 MET 64 1HB MET 64 3.519 -3.761 9.765 469 HB3 MET 64 2HB MET 64 3.522 -1.998 9.660 470 HG2 MET 64 1HG MET 64 5.563 -1.980 8.397 471 HG3 MET 64 2HG MET 64 5.909 -3.658 8.800 472 HE1 MET 64 3HE MET 64 5.731 -4.468 5.272 473 HE2 MET 64 1HE MET 64 6.694 -3.606 6.498 474 HE3 MET 64 2HE MET 64 6.040 -5.217 6.853 475 H LEU 65 H LEU 65 3.836 -4.837 12.156 476 HA LEU 65 HA LEU 65 6.270 -6.524 12.287 477 HB2 LEU 65 1HB LEU 65 4.462 -5.763 14.287 478 HB3 LEU 65 2HB LEU 65 3.824 -7.311 13.803 479 HG LEU 65 HG LEU 65 5.266 -7.525 15.696 480 HD11 LEU 65 1HD1 LEU 65 5.307 -9.413 14.135 481 HD12 LEU 65 2HD1 LEU 65 6.752 -8.729 13.354 482 HD13 LEU 65 3HD1 LEU 65 6.819 -9.246 15.042 483 HD21 LEU 65 3HD2 LEU 65 7.604 -6.903 15.735 484 HD22 LEU 65 1HD2 LEU 65 7.548 -6.414 14.030 485 HD23 LEU 65 2HD2 LEU 65 6.627 -5.500 15.240 486 H ILE 66 H ILE 66 6.264 -8.506 11.501 487 HA ILE 66 HA ILE 66 3.914 -9.477 9.866 488 HB ILE 66 HB ILE 66 5.325 -10.276 8.180 489 HG12 ILE 66 1HG1 ILE 66 7.848 -8.985 8.856 490 HG13 ILE 66 2HG1 ILE 66 7.436 -10.110 10.123 491 HG21 ILE 66 1HG2 ILE 66 4.466 -7.949 8.118 492 HG22 ILE 66 2HG2 ILE 66 6.015 -7.372 8.757 493 HG23 ILE 66 3HG2 ILE 66 5.945 -8.196 7.182 494 HD11 ILE 66 3HD1 ILE 66 8.808 -11.074 8.215 495 HD12 ILE 66 1HD1 ILE 66 7.370 -11.987 8.656 496 HD13 ILE 66 2HD1 ILE 66 7.350 -10.969 7.211 497 H ALA 67 H ALA 67 5.279 -11.960 9.158 498 HA ALA 67 HA ALA 67 4.346 -13.694 11.148 499 HB1 ALA 67 1HB ALA 67 4.727 -14.216 8.733 500 HB2 ALA 67 2HB ALA 67 6.486 -14.128 9.005 501 HB3 ALA 67 3HB ALA 67 5.527 -15.395 9.795 502 H GLY 68 H GLY 68 7.357 -11.972 11.227 503 HA2 GLY 68 1HA GLY 68 8.031 -12.936 13.824 504 HA3 GLY 68 2HA GLY 68 9.018 -13.785 12.654 505 H PHE 69 H PHE 69 8.254 -10.453 11.859 506 HA PHE 69 HA PHE 69 10.885 -9.447 12.752 507 HB2 PHE 69 1HB PHE 69 10.105 -9.754 9.819 508 HB3 PHE 69 2HB PHE 69 11.487 -8.855 10.397 509 HD1 PHE 69 1HD PHE 69 13.445 -10.004 11.409 510 HD2 PHE 69 2HD PHE 69 10.171 -12.211 9.668 511 HE1 PHE 69 1HE PHE 69 14.873 -12.032 11.284 512 HE2 PHE 69 2HE PHE 69 11.602 -14.231 9.545 513 HZ PHE 69 HZ PHE 69 13.953 -14.148 10.354 514 H LEU 70 H LEU 70 11.135 -7.229 12.606 515 HA LEU 70 HA LEU 70 8.718 -5.564 12.138 516 HB2 LEU 70 1HB LEU 70 10.253 -5.376 14.220 517 HB3 LEU 70 2HB LEU 70 11.465 -4.737 13.122 518 HG LEU 70 HG LEU 70 10.488 -2.937 14.291 519 HD11 LEU 70 1HD1 LEU 70 10.845 -2.584 11.777 520 HD12 LEU 70 2HD1 LEU 70 9.069 -2.668 11.642 521 HD13 LEU 70 3HD1 LEU 70 9.821 -1.428 12.640 522 HD21 LEU 70 3HD2 LEU 70 8.060 -2.375 14.186 523 HD22 LEU 70 1HD2 LEU 70 7.757 -3.944 13.409 524 HD23 LEU 70 2HD2 LEU 70 8.411 -3.882 15.057 525 H TYR 71 H TYR 71 8.479 -4.573 10.283 526 HA TYR 71 HA TYR 71 10.828 -4.020 8.514 527 HB2 TYR 71 1HB TYR 71 8.057 -4.805 7.719 528 HB3 TYR 71 2HB TYR 71 9.266 -4.195 6.588 529 HD1 TYR 71 1HD TYR 71 11.690 -5.817 7.791 530 HD2 TYR 71 2HD TYR 71 7.669 -6.880 6.662 531 HE1 TYR 71 1HE TYR 71 12.408 -8.154 7.428 532 HE2 TYR 71 2HE TYR 71 8.353 -9.214 6.384 533 HH TYR 71 HH TYR 71 10.169 -10.722 6.354 534 H VAL 72 H VAL 72 11.118 -2.112 7.737 535 HA VAL 72 HA VAL 72 9.471 0.138 8.704 536 HB VAL 72 HB VAL 72 12.160 0.179 7.302 537 HG11 VAL 72 1HG1 VAL 72 10.918 2.321 7.080 538 HG12 VAL 72 2HG1 VAL 72 10.662 2.353 8.839 539 HG13 VAL 72 3HG1 VAL 72 12.299 2.500 8.170 540 HG21 VAL 72 3HG2 VAL 72 13.110 0.675 9.539 541 HG22 VAL 72 1HG2 VAL 72 11.522 0.364 10.273 542 HG23 VAL 72 2HG2 VAL 72 12.412 -0.943 9.461 543 H ALA 73 H ALA 73 7.829 0.604 7.422 544 HA ALA 73 HA ALA 73 7.794 0.203 4.523 545 HB1 ALA 73 1HB ALA 73 5.849 -0.262 6.059 546 HB2 ALA 73 2HB ALA 73 5.742 1.467 6.386 547 HB3 ALA 73 3HB ALA 73 5.473 0.868 4.730 548 H ASP 74 H ASP 74 9.083 1.570 3.443 549 HA ASP 74 HA ASP 74 9.121 4.461 4.041 550 HB2 ASP 74 1HB ASP 74 11.209 3.211 3.590 551 HB3 ASP 74 2HB ASP 74 10.621 2.825 1.972 552 H LEU 75 H LEU 75 7.498 5.639 3.308 553 HA LEU 75 HA LEU 75 5.782 4.976 1.099 554 HB2 LEU 75 1HB LEU 75 6.194 7.355 2.946 555 HB3 LEU 75 2HB LEU 75 5.120 7.499 1.587 556 HG LEU 75 HG LEU 75 4.706 5.204 3.540 557 HD11 LEU 75 1HD1 LEU 75 4.760 7.191 4.970 558 HD12 LEU 75 2HD1 LEU 75 3.709 8.076 3.843 559 HD13 LEU 75 3HD1 LEU 75 3.080 6.681 4.737 560 HD21 LEU 75 3HD2 LEU 75 2.386 5.494 2.747 561 HD22 LEU 75 1HD2 LEU 75 2.917 6.797 1.665 562 HD23 LEU 75 2HD2 LEU 75 3.532 5.151 1.422 563 H GLU 76 H GLU 76 8.754 6.830 1.305 564 HA GLU 76 HA GLU 76 8.274 8.537 -0.963 565 HB2 GLU 76 1HB GLU 76 10.835 7.721 0.470 566 HB3 GLU 76 2HB GLU 76 10.750 8.939 -0.789 567 HG2 GLU 76 1HG GLU 76 9.243 9.047 1.863 568 HG3 GLU 76 2HG GLU 76 10.769 9.855 1.551 569 H ASN 77 H ASN 77 10.247 5.582 -0.580 570 HA ASN 77 HA ASN 77 10.660 5.379 -3.520 571 HB2 ASN 77 1HB ASN 77 11.907 3.860 -1.196 572 HB3 ASN 77 2HB ASN 77 12.376 3.730 -2.887 573 HD21 ASN 77 2HD2 ASN 77 12.439 5.812 -0.017 574 HD22 ASN 77 1HD2 ASN 77 13.702 6.885 -0.627 575 H MET 78 H MET 78 8.485 4.287 -1.257 576 HA MET 78 HA MET 78 6.965 2.590 -1.031 577 HB2 MET 78 1HB MET 78 7.360 2.311 -4.029 578 HB3 MET 78 2HB MET 78 6.102 1.503 -3.111 579 HG2 MET 78 1HG MET 78 6.213 4.468 -2.758 580 HG3 MET 78 2HG MET 78 5.818 3.885 -4.361 581 HE1 MET 78 3HE MET 78 3.187 3.433 -0.611 582 HE2 MET 78 1HE MET 78 4.794 2.689 -0.632 583 HE3 MET 78 2HE MET 78 4.623 4.459 -0.781 584 H VAL 79 H VAL 79 8.883 1.660 0.224 585 HA VAL 79 HA VAL 79 9.238 -1.143 -0.667 586 HB VAL 79 HB VAL 79 11.653 -1.186 -0.164 587 HG11 VAL 79 1HG1 VAL 79 10.921 -1.079 -2.504 588 HG12 VAL 79 2HG1 VAL 79 11.040 0.695 -2.457 589 HG13 VAL 79 3HG1 VAL 79 12.488 -0.305 -2.241 590 HG21 VAL 79 3HG2 VAL 79 12.987 0.876 -0.131 591 HG22 VAL 79 1HG2 VAL 79 11.504 1.851 -0.169 592 HG23 VAL 79 2HG2 VAL 79 11.862 0.821 1.232 593 H GLN 80 H GLN 80 9.911 -2.652 0.868 594 HA GLN 80 HA GLN 80 9.670 -1.886 3.746 595 HB2 GLN 80 1HB GLN 80 9.014 -4.453 2.210 596 HB3 GLN 80 2HB GLN 80 8.885 -4.280 3.964 597 HG2 GLN 80 1HG GLN 80 7.336 -2.615 1.949 598 HG3 GLN 80 2HG GLN 80 6.744 -4.092 2.703 599 HE21 GLN 80 2HE2 GLN 80 4.987 -2.348 3.302 600 HE22 GLN 80 1HE2 GLN 80 5.282 -1.564 4.838 601 H TYR 81 H TYR 81 11.404 -2.257 4.985 602 HA TYR 81 HA TYR 81 13.193 -4.537 4.448 603 HB2 TYR 81 1HB TYR 81 15.215 -3.055 4.725 604 HB3 TYR 81 2HB TYR 81 14.365 -2.945 3.210 605 HD1 TYR 81 2HD TYR 81 14.555 -1.178 6.562 606 HD2 TYR 81 1HD TYR 81 13.795 -0.860 2.328 607 HE1 TYR 81 2HE TYR 81 14.518 1.289 6.750 608 HE2 TYR 81 1HE TYR 81 13.814 1.596 2.490 609 HH TYR 81 HH TYR 81 14.002 3.427 3.909 610 H ARG 82 H ARG 82 14.640 -5.047 6.197 611 HA ARG 82 HA ARG 82 13.441 -4.720 8.832 612 HB2 ARG 82 1HB ARG 82 14.416 -6.826 8.029 613 HB3 ARG 82 2HB ARG 82 16.004 -6.068 7.893 614 HG2 ARG 82 1HG ARG 82 16.124 -5.777 10.320 615 HG3 ARG 82 2HG ARG 82 14.446 -6.333 10.509 616 HD2 ARG 82 1HD ARG 82 15.028 -8.551 9.703 617 HD3 ARG 82 2HD ARG 82 16.663 -8.044 9.297 618 HE ARG 82 HE ARG 82 15.546 -8.539 12.001 619 HH11 ARG 82 1HH1 ARG 82 18.407 -7.433 10.187 620 HH12 ARG 82 2HH1 ARG 82 19.483 -7.925 11.460 621 HH21 ARG 82 1HH2 ARG 82 17.001 -9.027 13.627 622 HH22 ARG 82 2HH2 ARG 82 18.697 -8.730 13.403 623 H ARG 83 H ARG 83 14.243 -3.581 10.583 624 HA ARG 83 HA ARG 83 15.213 -1.025 10.170 625 HB2 ARG 83 1HB ARG 83 15.293 -2.786 12.645 626 HB3 ARG 83 2HB ARG 83 15.827 -1.102 12.667 627 HG2 ARG 83 1HG ARG 83 13.629 -0.304 11.988 628 HG3 ARG 83 2HG ARG 83 13.046 -1.962 11.787 629 HD2 ARG 83 1HD ARG 83 12.275 -0.975 13.931 630 HD3 ARG 83 2HD ARG 83 13.236 -2.428 14.143 631 HE ARG 83 HE ARG 83 14.965 -1.221 15.120 632 HH11 ARG 83 1HH1 ARG 83 12.402 1.089 14.218 633 HH12 ARG 83 2HH1 ARG 83 13.248 2.405 14.980 634 HH21 ARG 83 1HH2 ARG 83 15.921 0.517 16.122 635 HH22 ARG 83 2HH2 ARG 83 15.164 2.079 16.079 636 H ASN 84 H ASN 84 17.275 -3.869 10.762 637 HA ASN 84 HA ASN 84 19.632 -2.234 11.291 638 HB2 ASN 84 1HB ASN 84 19.098 -4.340 12.482 639 HB3 ASN 84 2HB ASN 84 19.324 -5.233 10.985 640 HD21 ASN 84 2HD2 ASN 84 21.436 -5.872 10.434 641 HD22 ASN 84 1HD2 ASN 84 22.847 -5.376 11.369 642 H GLU 85 H GLU 85 18.282 -3.588 8.332 643 HA GLU 85 HA GLU 85 20.537 -2.543 6.831 644 HB2 GLU 85 1HB GLU 85 21.084 -4.592 5.636 645 HB3 GLU 85 2HB GLU 85 21.555 -4.635 7.321 646 HG2 GLU 85 1HG GLU 85 19.044 -5.989 6.244 647 HG3 GLU 85 2HG GLU 85 20.613 -6.769 6.349 648 H HIS 86 H HIS 86 19.956 -1.692 5.023 649 HA HIS 86 HA HIS 86 17.199 -1.865 4.081 650 HB2 HIS 86 1HB HIS 86 17.875 -0.014 2.661 651 HB3 HIS 86 2HB HIS 86 18.399 0.256 4.324 652 HD2 HIS 86 2HD HIS 86 19.748 -0.333 0.790 653 HE1 HIS 86 1HE HIS 86 23.163 0.311 3.249 654 HE2 HIS 86 2HE HIS 86 22.352 0.047 0.846 655 H GLY 87 H GLY 87 20.126 -3.409 3.206 656 HA2 GLY 87 1HA GLY 87 19.856 -3.719 0.400 657 HA3 GLY 87 2HA GLY 87 20.800 -4.788 1.459 658 H ARG 88 H ARG 88 17.993 -5.298 2.817 659 HA ARG 88 HA ARG 88 17.138 -7.556 1.105 660 HB2 ARG 88 1HB ARG 88 16.612 -6.651 3.950 661 HB3 ARG 88 2HB ARG 88 15.476 -7.739 3.179 662 HG2 ARG 88 1HG ARG 88 17.005 -9.032 4.452 663 HG3 ARG 88 2HG ARG 88 17.213 -9.391 2.737 664 HD2 ARG 88 1HD ARG 88 19.270 -8.061 2.667 665 HD3 ARG 88 2HD ARG 88 19.019 -7.544 4.352 666 HE ARG 88 HE ARG 88 18.997 -10.399 4.258 667 HH11 ARG 88 1HH1 ARG 88 21.453 -7.847 3.890 668 HH12 ARG 88 2HH1 ARG 88 22.709 -8.919 4.440 669 HH21 ARG 88 1HH2 ARG 88 20.493 -11.604 4.874 670 HH22 ARG 88 2HH2 ARG 88 22.187 -11.104 5.013 671 H ARG 89 H ARG 89 16.406 -4.316 0.945 672 HA ARG 89 HA ARG 89 13.732 -4.127 1.364 673 HB2 ARG 89 1HB ARG 89 13.694 -2.068 0.130 674 HB3 ARG 89 2HB ARG 89 15.114 -2.219 1.145 675 HG2 ARG 89 1HG ARG 89 16.438 -2.865 -0.913 676 HG3 ARG 89 2HG ARG 89 14.995 -2.456 -1.876 677 HD2 ARG 89 1HD ARG 89 15.039 -0.162 -0.993 678 HD3 ARG 89 2HD ARG 89 16.432 -0.571 0.032 679 HE ARG 89 HE ARG 89 17.007 -1.175 -2.712 680 HH11 ARG 89 1HH1 ARG 89 16.742 1.641 -0.578 681 HH12 ARG 89 2HH1 ARG 89 17.847 2.579 -1.536 682 HH21 ARG 89 1HH2 ARG 89 18.417 0.098 -3.901 683 HH22 ARG 89 2HH2 ARG 89 18.775 1.718 -3.391 684 H ARG 90 H ARG 90 11.886 -4.590 0.558 685 HA ARG 90 HA ARG 90 11.587 -5.776 -2.188 686 HB2 ARG 90 1HB ARG 90 10.100 -6.209 0.436 687 HB3 ARG 90 2HB ARG 90 9.444 -6.718 -1.125 688 HG2 ARG 90 1HG ARG 90 11.323 -8.196 -1.533 689 HG3 ARG 90 2HG ARG 90 12.138 -7.652 -0.054 690 HD2 ARG 90 1HD ARG 90 10.380 -8.540 1.341 691 HD3 ARG 90 2HD ARG 90 9.380 -8.958 -0.051 692 HE ARG 90 HE ARG 90 11.736 -10.395 0.998 693 HH11 ARG 90 1HH1 ARG 90 9.598 -10.107 -1.835 694 HH12 ARG 90 2HH1 ARG 90 10.147 -11.616 -2.496 695 HH21 ARG 90 1HH2 ARG 90 12.075 -12.469 0.297 696 HH22 ARG 90 2HH2 ARG 90 11.525 -12.960 -1.288 697 H LYS 91 H LYS 91 10.267 -4.790 -3.608 698 HA LYS 91 HA LYS 91 9.160 -2.190 -3.122 699 HB2 LYS 91 1HB LYS 91 9.647 -3.997 -5.357 700 HB3 LYS 91 2HB LYS 91 8.031 -3.360 -5.489 701 HG2 LYS 91 1HG LYS 91 10.439 -1.564 -5.011 702 HG3 LYS 91 2HG LYS 91 9.964 -2.082 -6.623 703 HD2 LYS 91 1HD LYS 91 8.062 -0.629 -4.748 704 HD3 LYS 91 2HD LYS 91 9.114 0.210 -5.888 705 HE2 LYS 91 1HE LYS 91 8.027 -0.824 -7.780 706 HE3 LYS 91 2HE LYS 91 7.139 -1.944 -6.741 707 HZ1 LYS 91 3HZ LYS 91 5.749 -0.082 -7.446 708 HZ2 LYS 91 1HZ LYS 91 5.914 -0.086 -5.816 709 HZ3 LYS 91 2HZ LYS 91 6.750 0.994 -6.733 710 H ILE 92 H ILE 92 7.132 -1.421 -2.960 711 HA ILE 92 HA ILE 92 4.831 -3.318 -2.739 712 HB ILE 92 HB ILE 92 3.928 -2.191 -0.843 713 HG12 ILE 92 1HG1 ILE 92 6.190 -0.239 -1.144 714 HG13 ILE 92 2HG1 ILE 92 4.463 0.072 -1.119 715 HG21 ILE 92 1HG2 ILE 92 5.651 -4.009 -0.570 716 HG22 ILE 92 2HG2 ILE 92 6.843 -2.747 -0.231 717 HG23 ILE 92 3HG2 ILE 92 5.416 -2.956 0.820 718 HD11 ILE 92 3HD1 ILE 92 5.430 0.839 0.957 719 HD12 ILE 92 1HD1 ILE 92 4.464 -0.610 1.324 720 HD13 ILE 92 2HD1 ILE 92 6.243 -0.702 1.233 721 H LYS 93 H LYS 93 2.713 -2.131 -2.800 722 HA LYS 93 HA LYS 93 2.678 0.351 -4.358 723 HB2 LYS 93 1HB LYS 93 1.486 -0.530 -6.260 724 HB3 LYS 93 2HB LYS 93 2.998 -1.415 -6.101 725 HG2 LYS 93 1HG LYS 93 1.858 -3.350 -5.176 726 HG3 LYS 93 2HG LYS 93 0.334 -2.458 -5.035 727 HD2 LYS 93 1HD LYS 93 0.188 -2.218 -7.465 728 HD3 LYS 93 2HD LYS 93 1.696 -3.142 -7.666 729 HE2 LYS 93 1HE LYS 93 0.709 -5.141 -6.783 730 HE3 LYS 93 2HE LYS 93 -0.677 -4.261 -6.118 731 HZ1 LYS 93 3HZ LYS 93 -1.205 -5.464 -8.184 732 HZ2 LYS 93 1HZ LYS 93 -1.505 -3.864 -8.298 733 HZ3 LYS 93 2HZ LYS 93 -0.173 -4.510 -9.026 734 H ARG 94 H ARG 94 0.515 1.106 -4.822 735 HA ARG 94 HA ARG 94 -1.578 0.329 -2.828 736 HB2 ARG 94 1HB ARG 94 -1.163 2.940 -4.355 737 HB3 ARG 94 2HB ARG 94 -2.517 2.576 -3.275 738 HG2 ARG 94 1HG ARG 94 -0.953 2.339 -1.368 739 HG3 ARG 94 2HG ARG 94 0.417 2.659 -2.427 740 HD2 ARG 94 1HD ARG 94 -0.142 4.678 -1.185 741 HD3 ARG 94 2HD ARG 94 -0.366 4.909 -2.916 742 HE ARG 94 HE ARG 94 -2.549 5.459 -2.507 743 HH11 ARG 94 1HH1 ARG 94 -1.572 3.383 0.178 744 HH12 ARG 94 2HH1 ARG 94 -3.102 3.617 1.006 745 HH21 ARG 94 1HH2 ARG 94 -4.461 5.767 -1.275 746 HH22 ARG 94 2HH2 ARG 94 -4.591 4.992 0.293 747 H ASP 95 H ASP 95 -3.579 -0.252 -3.624 748 HA ASP 95 HA ASP 95 -4.220 -0.007 -6.499 749 HB2 ASP 95 1HB ASP 95 -2.993 -2.351 -5.583 750 HB3 ASP 95 2HB ASP 95 -4.720 -2.727 -5.476 751 H ILE 96 H ILE 96 -6.398 -1.333 -6.823 752 HA ILE 96 HA ILE 96 -8.362 -0.480 -4.724 753 HB ILE 96 HB ILE 96 -8.591 -0.104 -7.721 754 HG12 ILE 96 1HG1 ILE 96 -7.002 1.530 -6.739 755 HG13 ILE 96 2HG1 ILE 96 -8.448 2.278 -7.391 756 HG21 ILE 96 1HG2 ILE 96 -10.805 -0.455 -6.830 757 HG22 ILE 96 2HG2 ILE 96 -10.491 0.574 -5.409 758 HG23 ILE 96 3HG2 ILE 96 -10.650 1.286 -7.031 759 HD11 ILE 96 3HD1 ILE 96 -7.662 3.183 -5.147 760 HD12 ILE 96 1HD1 ILE 96 -9.365 2.676 -5.223 761 HD13 ILE 96 2HD1 ILE 96 -8.174 1.628 -4.444 762 H ILE 97 H ILE 97 -10.029 -1.770 -4.407 763 HA ILE 97 HA ILE 97 -10.150 -4.437 -5.754 764 HB ILE 97 HB ILE 97 -11.694 -3.406 -3.368 765 HG12 ILE 97 1HG1 ILE 97 -10.197 -5.348 -2.299 766 HG13 ILE 97 2HG1 ILE 97 -9.080 -4.904 -3.585 767 HG21 ILE 97 1HG2 ILE 97 -12.957 -5.078 -4.481 768 HG22 ILE 97 2HG2 ILE 97 -11.545 -6.163 -4.610 769 HG23 ILE 97 3HG2 ILE 97 -12.276 -5.793 -3.026 770 HD11 ILE 97 3HD1 ILE 97 -8.949 -3.766 -1.227 771 HD12 ILE 97 1HD1 ILE 97 -8.726 -2.758 -2.676 772 HD13 ILE 97 2HD1 ILE 97 -10.275 -2.760 -1.790 773 H ASP 98 H ASP 98 -11.853 -5.071 -6.998 774 HA ASP 98 HA ASP 98 -13.764 -2.972 -7.824 775 HB2 ASP 98 1HB ASP 98 -12.270 -4.076 -9.489 776 HB3 ASP 98 2HB ASP 98 -13.102 -5.599 -9.180 777 H ILE 99 H ILE 99 -13.799 -5.983 -6.185 778 HA ILE 99 HA ILE 99 -15.307 -7.066 -4.931 779 HB ILE 99 HB ILE 99 -17.329 -4.931 -5.585 780 HG12 ILE 99 1HG1 ILE 99 -15.289 -3.974 -4.493 781 HG13 ILE 99 2HG1 ILE 99 -16.754 -3.812 -3.551 782 HG21 ILE 99 1HG2 ILE 99 -18.483 -6.846 -4.742 783 HG22 ILE 99 2HG2 ILE 99 -17.336 -7.029 -3.400 784 HG23 ILE 99 3HG2 ILE 99 -18.425 -5.628 -3.472 785 HD11 ILE 99 3HD1 ILE 99 -14.723 -4.442 -2.215 786 HD12 ILE 99 1HD1 ILE 99 -16.084 -5.554 -2.014 787 HD13 ILE 99 2HD1 ILE 99 -14.710 -6.014 -3.038 788 HA PRO 100 HA PRO 100 -17.322 -9.556 -8.109 789 HB2 PRO 100 1HB PRO 100 -17.696 -11.852 -6.717 790 HB3 PRO 100 2HB PRO 100 -16.069 -11.283 -7.177 791 HG2 PRO 100 1HG PRO 100 -17.499 -10.933 -4.514 792 HG3 PRO 100 2HG PRO 100 -15.822 -11.497 -4.796 793 HD2 PRO 100 1HD PRO 100 -16.471 -8.867 -4.195 794 HD3 PRO 100 2HD PRO 100 -15.065 -9.319 -5.201 795 H LYS 101 H LYS 101 -19.368 -10.683 -8.410 796 HA LYS 101 HA LYS 101 -21.639 -9.278 -7.336 797 HB2 LYS 101 1HB LYS 101 -23.007 -10.874 -8.554 798 HB3 LYS 101 2HB LYS 101 -21.691 -10.246 -9.542 799 HG2 LYS 101 1HG LYS 101 -20.432 -12.367 -9.255 800 HG3 LYS 101 2HG LYS 101 -21.684 -12.977 -8.170 801 HD2 LYS 101 1HD LYS 101 -21.978 -13.964 -10.365 802 HD3 LYS 101 2HD LYS 101 -23.344 -12.935 -9.959 803 HE2 LYS 101 1HE LYS 101 -22.834 -12.583 -12.268 804 HE3 LYS 101 2HE LYS 101 -22.396 -11.116 -11.398 805 HZ1 LYS 101 3HZ LYS 101 -20.688 -11.780 -12.995 806 HZ2 LYS 101 1HZ LYS 101 -20.068 -11.851 -11.487 807 HZ3 LYS 101 2HZ LYS 101 -20.492 -13.228 -12.267 808 H LYS 102 H LYS 102 -20.080 -12.258 -6.315 809 HA LYS 102 HA LYS 102 -21.987 -13.141 -4.370 810 HB2 LYS 102 1HB LYS 102 -20.105 -14.425 -5.404 811 HB3 LYS 102 2HB LYS 102 -18.955 -13.488 -4.441 812 HG2 LYS 102 1HG LYS 102 -19.965 -14.377 -2.358 813 HG3 LYS 102 2HG LYS 102 -21.165 -15.270 -3.301 814 HD2 LYS 102 1HD LYS 102 -18.144 -15.692 -3.423 815 HD3 LYS 102 2HD LYS 102 -19.274 -16.661 -2.466 816 HE2 LYS 102 1HE LYS 102 -20.476 -17.313 -4.558 817 HE3 LYS 102 2HE LYS 102 -19.299 -16.399 -5.510 818 HZ1 LYS 102 3HZ LYS 102 -18.718 -18.744 -5.411 819 HZ2 LYS 102 1HZ LYS 102 -17.562 -17.872 -4.656 820 HZ3 LYS 102 2HZ LYS 102 -18.651 -18.722 -3.780 821 H GLY 103 H GLY 103 -19.787 -10.446 -4.275 822 HA2 GLY 103 1HA GLY 103 -19.725 -10.129 -1.364 823 HA3 GLY 103 2HA GLY 103 -19.093 -9.016 -2.606 824 H VAL 104 H VAL 104 -22.037 -9.285 -3.752 825 HA VAL 104 HA VAL 104 -22.994 -6.807 -2.568 826 HB VAL 104 HB VAL 104 -24.423 -8.722 -4.460 827 HG11 VAL 104 1HG1 VAL 104 -26.055 -7.290 -3.287 828 HG12 VAL 104 2HG1 VAL 104 -25.086 -5.848 -3.660 829 HG13 VAL 104 3HG1 VAL 104 -25.880 -6.760 -4.961 830 HG21 VAL 104 3HG2 VAL 104 -23.818 -7.067 -6.206 831 HG22 VAL 104 1HG2 VAL 104 -22.903 -6.128 -5.008 832 HG23 VAL 104 2HG2 VAL 104 -22.369 -7.758 -5.470 833 H SER 105 H SER 105 -23.887 -6.679 -0.653 834 HA SER 105 HA SER 105 -25.470 -8.964 0.500 835 HB2 SER 105 1HB SER 105 -23.465 -7.177 1.922 836 HB3 SER 105 2HB SER 105 -24.359 -8.535 2.618 837 HG SER 105 HG SER 105 -22.358 -8.632 0.585 838 H GLY 106 H GLY 106 -26.049 -5.957 -0.572 839 HA2 GLY 106 1HA GLY 106 -27.887 -4.557 -0.197 840 HA3 GLY 106 2HA GLY 106 -28.286 -5.481 1.263 841 HA PRO 107 HA PRO 107 -26.538 -1.309 2.432 842 HB2 PRO 107 1HB PRO 107 -28.617 -0.347 3.913 843 HB3 PRO 107 2HB PRO 107 -28.593 -0.280 2.124 844 HG2 PRO 107 1HG PRO 107 -29.937 -2.355 3.890 845 HG3 PRO 107 2HG PRO 107 -30.645 -1.451 2.512 846 HD2 PRO 107 1HD PRO 107 -29.636 -3.967 2.228 847 HD3 PRO 107 2HD PRO 107 -29.458 -2.744 0.935 848 H SER 108 H SER 108 -25.763 -0.574 4.480 849 HA SER 108 HA SER 108 -26.227 -1.945 6.975 850 HB2 SER 108 1HB SER 108 -24.808 -3.620 5.686 851 HB3 SER 108 2HB SER 108 -23.509 -2.420 5.702 852 HG SER 108 HG SER 108 -23.406 -3.954 7.461 853 H SER 109 H SER 109 -24.280 -1.240 8.540 854 HA SER 109 HA SER 109 -23.107 1.370 8.045 855 HB2 SER 109 1HB SER 109 -25.479 2.013 8.428 856 HB3 SER 109 2HB SER 109 -25.422 1.223 10.012 857 HG SER 109 HG SER 109 -25.045 3.497 10.117 858 H GLY 110 H GLY 110 -21.474 1.798 9.463 859 HA2 GLY 110 1HA GLY 110 -21.202 0.904 12.147 860 HA3 GLY 110 2HA GLY 110 -20.307 -0.201 11.098 861 H5'1 ATP 201 H5" ATP 111 12.297 -13.802 4.653 862 H5'2 ATP 201 H5' ATP 111 12.035 -12.530 5.842 863 H4' ATP 201 H4' ATP 111 10.225 -14.134 5.907 864 H3' ATP 201 H3' ATP 111 10.473 -14.487 3.191 865 HO3' ATP 201 H3T ATP 111 8.190 -15.333 3.461 866 H2' ATP 201 H2' ATP 111 9.631 -12.354 2.606 867 HO2' ATP 201 2HO ATP 111 8.251 -13.871 1.522 868 H1' ATP 201 H1' ATP 111 7.457 -12.671 4.692 869 H8 ATP 201 8H ATP 111 10.022 -10.092 3.248 870 HN61 ATP 201 2H6 ATP 111 6.777 -6.392 2.932 871 HN62 ATP 201 1H6 ATP 111 5.102 -6.256 3.479 872 H2 ATP 201 2H ATP 111 3.936 -9.980 5.348 Start of MODEL 10 1 HA PRO 1 HA PRO 1 -3.162 16.797 7.648 2 HB2 PRO 1 1HB PRO 1 -1.307 18.041 9.676 3 HB3 PRO 1 2HB PRO 1 -2.988 18.474 9.249 4 HG2 PRO 1 1HG PRO 1 -2.052 16.675 11.340 5 HG3 PRO 1 2HG PRO 1 -3.754 17.035 10.924 6 HD2 PRO 1 1HD PRO 1 -2.633 14.545 10.552 7 HD3 PRO 1 2HD PRO 1 -3.939 15.202 9.535 8 H SER 2 H SER 2 -2.001 18.978 6.906 9 HA SER 2 HA SER 2 0.761 18.867 6.039 10 HB2 SER 2 1HB SER 2 -1.475 18.335 4.046 11 HB3 SER 2 2HB SER 2 0.039 19.109 3.559 12 HG SER 2 HG SER 2 0.007 16.631 4.952 13 H SER 3 H SER 3 1.401 20.891 4.998 14 HA SER 3 HA SER 3 0.032 23.144 6.143 15 HB2 SER 3 1HB SER 3 2.383 23.106 4.223 16 HB3 SER 3 2HB SER 3 1.921 24.417 5.322 17 HG SER 3 HG SER 3 3.628 23.131 6.186 18 H GLY 4 H GLY 4 -0.832 21.638 3.346 19 HA2 GLY 4 1HA GLY 4 -1.375 24.005 1.644 20 HA3 GLY 4 2HA GLY 4 -1.673 22.301 1.260 21 H SER 5 H SER 5 -3.745 22.405 0.655 22 HA SER 5 HA SER 5 -5.859 22.696 2.641 23 HB2 SER 5 1HB SER 5 -5.392 25.086 2.037 24 HB3 SER 5 2HB SER 5 -5.811 24.709 0.360 25 HG SER 5 HG SER 5 -7.588 25.588 1.568 26 H SER 6 H SER 6 -5.095 22.473 -0.885 27 HA SER 6 HA SER 6 -6.738 20.063 -1.124 28 HB2 SER 6 1HB SER 6 -8.089 20.935 -2.974 29 HB3 SER 6 2HB SER 6 -8.419 21.800 -1.470 30 HG SER 6 HG SER 6 -8.207 23.236 -3.259 31 H GLY 7 H GLY 7 -6.480 19.017 -3.237 32 HA2 GLY 7 1HA GLY 7 -5.276 18.419 -5.156 33 HA3 GLY 7 2HA GLY 7 -4.150 19.764 -4.906 34 H PHE 8 H PHE 8 -3.229 17.343 -5.676 35 HA PHE 8 HA PHE 8 -1.696 16.250 -3.387 36 HB2 PHE 8 1HB PHE 8 -3.485 14.784 -5.380 37 HB3 PHE 8 2HB PHE 8 -2.289 13.990 -4.394 38 HD1 PHE 8 1HD PHE 8 -2.464 14.139 -1.827 39 HD2 PHE 8 2HD PHE 8 -5.675 15.242 -4.490 40 HE1 PHE 8 1HE PHE 8 -4.086 13.930 0.040 41 HE2 PHE 8 2HE PHE 8 -7.294 15.032 -2.619 42 HZ PHE 8 HZ PHE 8 -6.504 14.377 -0.351 43 H LEU 9 H LEU 9 -0.061 14.621 -4.256 44 HA LEU 9 HA LEU 9 1.032 15.264 -6.933 45 HB2 LEU 9 1HB LEU 9 2.110 16.796 -5.304 46 HB3 LEU 9 2HB LEU 9 2.563 15.420 -4.301 47 HG LEU 9 HG LEU 9 4.037 14.571 -6.120 48 HD11 LEU 9 1HD1 LEU 9 2.938 15.519 -8.115 49 HD12 LEU 9 2HD1 LEU 9 3.287 17.167 -7.548 50 HD13 LEU 9 3HD1 LEU 9 4.609 16.078 -8.021 51 HD21 LEU 9 3HD2 LEU 9 5.777 16.294 -5.869 52 HD22 LEU 9 1HD2 LEU 9 4.560 17.463 -5.312 53 HD23 LEU 9 2HD2 LEU 9 4.928 16.023 -4.338 54 H ASP 10 H ASP 10 1.873 13.540 -7.951 55 HA ASP 10 HA ASP 10 2.498 10.967 -6.662 56 HB2 ASP 10 1HB ASP 10 -0.054 11.222 -6.849 57 HB3 ASP 10 2HB ASP 10 0.194 11.256 -8.598 58 H LYS 11 H LYS 11 2.846 9.338 -8.303 59 HA LYS 11 HA LYS 11 4.863 10.129 -10.228 60 HB2 LYS 11 1HB LYS 11 3.581 7.619 -9.149 61 HB3 LYS 11 2HB LYS 11 4.512 7.482 -10.641 62 HG2 LYS 11 1HG LYS 11 6.117 9.039 -8.830 63 HG3 LYS 11 2HG LYS 11 5.439 7.713 -7.885 64 HD2 LYS 11 1HD LYS 11 6.310 6.092 -9.575 65 HD3 LYS 11 2HD LYS 11 6.990 7.455 -10.500 66 HE2 LYS 11 1HE LYS 11 8.370 8.091 -8.523 67 HE3 LYS 11 2HE LYS 11 7.708 6.721 -7.621 68 HZ1 LYS 11 3HZ LYS 11 9.857 6.182 -8.597 69 HZ2 LYS 11 1HZ LYS 11 8.709 5.238 -9.275 70 HZ3 LYS 11 2HZ LYS 11 9.324 6.509 -10.105 71 HA PRO 12 HA PRO 12 2.642 10.647 -13.894 72 HB2 PRO 12 1HB PRO 12 4.275 9.699 -15.873 73 HB3 PRO 12 2HB PRO 12 4.676 11.108 -14.857 74 HG2 PRO 12 1HG PRO 12 5.526 8.218 -14.491 75 HG3 PRO 12 2HG PRO 12 6.580 9.672 -14.485 76 HD2 PRO 12 1HD PRO 12 5.678 8.539 -12.177 77 HD3 PRO 12 2HD PRO 12 5.836 10.304 -12.323 78 H THR 13 H THR 13 1.907 9.640 -15.964 79 HA THR 13 HA THR 13 1.112 6.868 -16.085 80 HB THR 13 HB THR 13 -0.220 7.676 -14.099 81 HG1 THR 13 1HG THR 13 -1.206 6.063 -15.080 82 HG21 THR 13 3HG2 THR 13 -1.954 9.263 -14.334 83 HG22 THR 13 1HG2 THR 13 -0.518 10.045 -14.981 84 HG23 THR 13 2HG2 THR 13 -1.741 9.393 -16.095 85 H LEU 14 H LEU 14 -0.756 6.626 -17.589 86 HA LEU 14 HA LEU 14 -0.316 8.338 -20.008 87 HB2 LEU 14 1HB LEU 14 -1.254 5.449 -19.850 88 HB3 LEU 14 2HB LEU 14 -0.831 6.345 -21.294 89 HG LEU 14 HG LEU 14 1.475 6.455 -19.532 90 HD11 LEU 14 1HD1 LEU 14 0.507 4.507 -18.373 91 HD12 LEU 14 2HD1 LEU 14 0.411 3.628 -19.918 92 HD13 LEU 14 3HD1 LEU 14 1.993 4.086 -19.246 93 HD21 LEU 14 3HD2 LEU 14 2.586 5.282 -21.375 94 HD22 LEU 14 1HD2 LEU 14 1.013 4.864 -22.092 95 HD23 LEU 14 2HD2 LEU 14 1.531 6.564 -21.999 96 H LEU 15 H LEU 15 -2.548 7.810 -17.581 97 HA LEU 15 HA LEU 15 -4.981 7.959 -19.254 98 HB2 LEU 15 1HB LEU 15 -4.813 7.974 -16.224 99 HB3 LEU 15 2HB LEU 15 -6.204 7.611 -17.227 100 HG LEU 15 HG LEU 15 -3.728 5.879 -16.877 101 HD11 LEU 15 1HD1 LEU 15 -5.329 5.897 -14.982 102 HD12 LEU 15 2HD1 LEU 15 -6.638 5.435 -16.091 103 HD13 LEU 15 3HD1 LEU 15 -5.283 4.324 -15.796 104 HD21 LEU 15 3HD2 LEU 15 -4.935 4.182 -18.245 105 HD22 LEU 15 1HD2 LEU 15 -6.175 5.396 -18.636 106 HD23 LEU 15 2HD2 LEU 15 -4.496 5.608 -19.189 107 H SER 16 H SER 16 -6.727 9.356 -18.049 108 HA SER 16 HA SER 16 -5.953 12.195 -18.240 109 HB2 SER 16 1HB SER 16 -8.514 10.601 -18.256 110 HB3 SER 16 2HB SER 16 -8.539 12.307 -18.017 111 HG SER 16 HG SER 16 -8.757 11.728 -20.264 112 HA PRO 17 HA PRO 17 -6.100 12.924 -13.868 113 HB2 PRO 17 1HB PRO 17 -7.325 15.372 -13.676 114 HB3 PRO 17 2HB PRO 17 -5.671 15.139 -14.318 115 HG2 PRO 17 1HG PRO 17 -8.258 15.390 -15.890 116 HG3 PRO 17 2HG PRO 17 -6.705 16.249 -16.165 117 HD2 PRO 17 1HD PRO 17 -7.363 14.025 -17.581 118 HD3 PRO 17 2HD PRO 17 -5.676 14.329 -17.051 119 H GLU 18 H GLU 18 -9.102 12.849 -15.685 120 HA GLU 18 HA GLU 18 -10.862 12.701 -13.368 121 HB2 GLU 18 1HB GLU 18 -11.374 11.922 -16.265 122 HB3 GLU 18 2HB GLU 18 -12.593 12.198 -15.024 123 HG2 GLU 18 1HG GLU 18 -10.715 14.290 -16.222 124 HG3 GLU 18 2HG GLU 18 -12.421 14.089 -16.582 125 H GLU 19 H GLU 19 -9.113 10.354 -15.366 126 HA GLU 19 HA GLU 19 -10.726 8.021 -14.787 127 HB2 GLU 19 1HB GLU 19 -7.953 8.539 -15.900 128 HB3 GLU 19 2HB GLU 19 -8.461 6.912 -15.547 129 HG2 GLU 19 1HG GLU 19 -9.869 8.845 -17.440 130 HG3 GLU 19 2HG GLU 19 -8.744 7.577 -17.916 131 H LEU 20 H LEU 20 -7.630 9.198 -13.609 132 HA LEU 20 HA LEU 20 -6.990 7.093 -11.785 133 HB2 LEU 20 1HB LEU 20 -6.178 10.023 -11.674 134 HB3 LEU 20 2HB LEU 20 -5.300 8.699 -10.942 135 HG LEU 20 HG LEU 20 -5.716 8.502 -13.927 136 HD11 LEU 20 1HD1 LEU 20 -5.281 10.910 -13.467 137 HD12 LEU 20 2HD1 LEU 20 -3.708 10.456 -12.778 138 HD13 LEU 20 3HD1 LEU 20 -4.082 10.115 -14.496 139 HD21 LEU 20 3HD2 LEU 20 -3.503 7.568 -13.894 140 HD22 LEU 20 1HD2 LEU 20 -3.258 8.044 -12.199 141 HD23 LEU 20 2HD2 LEU 20 -4.455 6.795 -12.618 142 H LYS 21 H LYS 21 -8.533 10.253 -11.302 143 HA LYS 21 HA LYS 21 -9.192 9.911 -8.505 144 HB2 LYS 21 1HB LYS 21 -10.115 11.713 -10.742 145 HB3 LYS 21 2HB LYS 21 -11.095 11.606 -9.288 146 HG2 LYS 21 1HG LYS 21 -9.502 13.491 -9.250 147 HG3 LYS 21 2HG LYS 21 -9.356 12.399 -7.873 148 HD2 LYS 21 1HD LYS 21 -7.313 11.430 -8.742 149 HD3 LYS 21 2HD LYS 21 -7.514 12.269 -10.288 150 HE2 LYS 21 1HE LYS 21 -7.322 14.461 -9.109 151 HE3 LYS 21 2HE LYS 21 -7.092 13.607 -7.577 152 HZ1 LYS 21 3HZ LYS 21 -4.975 14.264 -8.562 153 HZ2 LYS 21 1HZ LYS 21 -5.061 12.633 -8.503 154 HZ3 LYS 21 2HZ LYS 21 -5.281 13.418 -9.924 155 H ALA 22 H ALA 22 -11.108 9.141 -11.481 156 HA ALA 22 HA ALA 22 -13.415 8.252 -10.053 157 HB1 ALA 22 1HB ALA 22 -13.479 8.891 -12.412 158 HB2 ALA 22 2HB ALA 22 -12.435 7.515 -12.842 159 HB3 ALA 22 3HB ALA 22 -14.069 7.234 -12.209 160 H ALA 23 H ALA 23 -10.520 6.410 -11.051 161 HA ALA 23 HA ALA 23 -11.355 3.807 -10.383 162 HB1 ALA 23 1HB ALA 23 -9.205 4.437 -11.505 163 HB2 ALA 23 2HB ALA 23 -8.615 5.075 -9.944 164 HB3 ALA 23 3HB ALA 23 -8.958 3.348 -10.119 165 H SER 24 H SER 24 -10.470 6.426 -8.196 166 HA SER 24 HA SER 24 -10.552 4.629 -5.832 167 HB2 SER 24 1HB SER 24 -8.750 6.303 -6.051 168 HB3 SER 24 2HB SER 24 -9.958 7.600 -6.031 169 HG SER 24 HG SER 24 -9.054 7.198 -3.937 170 H ARG 25 H ARG 25 -12.155 7.616 -7.003 171 HA ARG 25 HA ARG 25 -14.059 7.903 -5.008 172 HB2 ARG 25 1HB ARG 25 -13.229 9.466 -6.907 173 HB3 ARG 25 2HB ARG 25 -14.454 8.709 -7.907 174 HG2 ARG 25 1HG ARG 25 -15.272 10.789 -7.033 175 HG3 ARG 25 2HG ARG 25 -16.221 9.475 -6.360 176 HD2 ARG 25 1HD ARG 25 -15.726 11.175 -4.685 177 HD3 ARG 25 2HD ARG 25 -15.014 9.645 -4.223 178 HE ARG 25 HE ARG 25 -12.898 10.562 -4.385 179 HH11 ARG 25 1HH1 ARG 25 -15.110 12.858 -5.925 180 HH12 ARG 25 2HH1 ARG 25 -13.884 14.083 -6.060 181 HH21 ARG 25 1HH2 ARG 25 -11.371 12.179 -4.598 182 HH22 ARG 25 2HH2 ARG 25 -11.801 13.701 -5.318 183 H GLY 26 H GLY 26 -14.167 5.678 -7.690 184 HA2 GLY 26 1HA GLY 26 -16.957 5.253 -7.956 185 HA3 GLY 26 2HA GLY 26 -15.674 4.095 -8.380 186 H ASN 27 H ASN 27 -14.871 4.155 -5.372 187 HA ASN 27 HA ASN 27 -17.229 3.016 -4.058 188 HB2 ASN 27 1HB ASN 27 -16.392 1.078 -5.333 189 HB3 ASN 27 2HB ASN 27 -14.806 1.265 -4.584 190 HD21 ASN 27 2HD2 ASN 27 -14.589 -0.458 -3.217 191 HD22 ASN 27 1HD2 ASN 27 -15.692 -0.767 -1.876 192 H GLY 28 H GLY 28 -13.759 3.911 -3.721 193 HA2 GLY 28 1HA GLY 28 -12.872 5.208 -2.023 194 HA3 GLY 28 2HA GLY 28 -14.379 5.056 -1.090 195 H GLU 29 H GLU 29 -13.070 2.078 -2.088 196 HA GLU 29 HA GLU 29 -12.093 1.261 0.573 197 HB2 GLU 29 1HB GLU 29 -13.162 -0.006 -1.760 198 HB3 GLU 29 2HB GLU 29 -11.536 -0.555 -1.585 199 HG2 GLU 29 1HG GLU 29 -12.954 -2.083 -0.346 200 HG3 GLU 29 2HG GLU 29 -12.059 -1.144 0.842 201 H TYR 30 H TYR 30 -9.992 -0.232 0.245 202 HA TYR 30 HA TYR 30 -7.920 0.650 -1.509 203 HB2 TYR 30 1HB TYR 30 -6.437 1.738 0.035 204 HB3 TYR 30 2HB TYR 30 -7.931 2.642 -0.021 205 HD1 TYR 30 1HD TYR 30 -9.718 2.069 1.822 206 HD2 TYR 30 2HD TYR 30 -5.559 0.985 2.087 207 HE1 TYR 30 1HE TYR 30 -9.934 1.846 4.308 208 HE2 TYR 30 2HE TYR 30 -5.773 0.709 4.558 209 HH TYR 30 HH TYR 30 -8.861 1.330 6.282 210 H ALA 31 H ALA 31 -6.066 -0.566 -1.364 211 HA ALA 31 HA ALA 31 -5.623 -2.489 0.818 212 HB1 ALA 31 1HB ALA 31 -6.990 -3.887 -0.519 213 HB2 ALA 31 2HB ALA 31 -6.335 -3.261 -2.043 214 HB3 ALA 31 3HB ALA 31 -5.350 -4.322 -0.995 215 H TRP 32 H TRP 32 -3.527 -3.131 0.983 216 HA TRP 32 HA TRP 32 -1.509 -1.796 -0.776 217 HB2 TRP 32 1HB TRP 32 -1.475 -2.561 2.161 218 HB3 TRP 32 2HB TRP 32 -0.010 -2.278 1.240 219 HD1 TRP 32 HD TRP 32 -3.238 -0.251 1.982 220 HE1 TRP 32 1HE TRP 32 -2.613 2.229 2.160 221 HE3 TRP 32 3HE TRP 32 1.768 -0.629 0.972 222 HZ2 TRP 32 2HZ TRP 32 -0.137 3.803 2.211 223 HZ3 TRP 32 3HZ TRP 32 3.214 1.401 1.066 224 HH2 TRP 32 HH TRP 32 2.264 3.568 1.691 225 H TYR 33 H TYR 33 0.186 -2.987 -1.548 226 HA TYR 33 HA TYR 33 0.179 -5.940 -1.173 227 HB2 TYR 33 1HB TYR 33 0.077 -4.426 -3.800 228 HB3 TYR 33 2HB TYR 33 0.585 -6.095 -3.683 229 HD1 TYR 33 2HD TYR 33 -2.338 -3.819 -3.108 230 HD2 TYR 33 1HD TYR 33 -0.969 -7.865 -3.725 231 HE1 TYR 33 2HE TYR 33 -4.700 -4.578 -3.340 232 HE2 TYR 33 1HE TYR 33 -3.323 -8.622 -3.966 233 HH TYR 33 HH TYR 33 -5.546 -8.008 -3.952 234 H TYR 34 H TYR 34 2.134 -6.978 -1.532 235 HA TYR 34 HA TYR 34 4.576 -5.319 -1.993 236 HB2 TYR 34 1HB TYR 34 5.660 -6.301 -0.098 237 HB3 TYR 34 2HB TYR 34 4.147 -5.598 0.437 238 HD1 TYR 34 1HD TYR 34 2.230 -7.080 1.113 239 HD2 TYR 34 2HD TYR 34 6.087 -8.685 0.047 240 HE1 TYR 34 1HE TYR 34 1.596 -9.253 2.121 241 HE2 TYR 34 2HE TYR 34 5.455 -10.870 1.044 242 HH TYR 34 HH TYR 34 2.249 -11.421 2.567 243 H GLU 35 H GLU 35 6.448 -6.534 -2.722 244 HA GLU 35 HA GLU 35 5.814 -8.869 -4.359 245 HB2 GLU 35 1HB GLU 35 8.461 -7.499 -3.751 246 HB3 GLU 35 2HB GLU 35 8.241 -8.845 -4.877 247 HG2 GLU 35 1HG GLU 35 6.586 -7.422 -6.156 248 HG3 GLU 35 2HG GLU 35 7.053 -6.060 -5.131 249 H GLY 36 H GLY 36 5.632 -10.846 -3.598 250 HA2 GLY 36 1HA GLY 36 7.423 -11.886 -1.415 251 HA3 GLY 36 2HA GLY 36 5.884 -12.595 -1.922 252 H ARG 37 H ARG 37 7.190 -14.568 -2.039 253 HA ARG 37 HA ARG 37 9.308 -14.971 -3.870 254 HB2 ARG 37 1HB ARG 37 8.657 -16.478 -1.963 255 HB3 ARG 37 2HB ARG 37 7.236 -16.974 -2.869 256 HG2 ARG 37 1HG ARG 37 8.829 -18.708 -3.151 257 HG3 ARG 37 2HG ARG 37 8.767 -17.860 -4.682 258 HD2 ARG 37 1HD ARG 37 11.039 -18.225 -4.358 259 HD3 ARG 37 2HD ARG 37 10.868 -16.553 -3.855 260 HE ARG 37 HE ARG 37 11.301 -18.963 -2.156 261 HH11 ARG 37 1HH1 ARG 37 11.058 -15.416 -2.142 262 HH12 ARG 37 2HH1 ARG 37 11.598 -15.328 -0.477 263 HH21 ARG 37 1HH2 ARG 37 12.100 -18.720 -0.092 264 HH22 ARG 37 2HH2 ARG 37 12.299 -17.128 0.595 265 H ASN 38 H ASN 38 5.815 -15.484 -4.332 266 HA ASN 38 HA ASN 38 6.253 -16.304 -7.153 267 HB2 ASN 38 1HB ASN 38 3.929 -16.692 -5.244 268 HB3 ASN 38 2HB ASN 38 3.960 -17.273 -6.905 269 HD21 ASN 38 2HD2 ASN 38 3.956 -18.662 -4.117 270 HD22 ASN 38 1HD2 ASN 38 5.248 -19.837 -4.285 271 H GLY 39 H GLY 39 5.250 -13.445 -5.637 272 HA2 GLY 39 1HA GLY 39 4.827 -11.841 -7.775 273 HA3 GLY 39 2HA GLY 39 3.260 -12.622 -7.653 274 H TRP 40 H TRP 40 2.426 -10.462 -7.289 275 HA TRP 40 HA TRP 40 3.008 -9.032 -4.829 276 HB2 TRP 40 1HB TRP 40 0.743 -8.750 -6.837 277 HB3 TRP 40 2HB TRP 40 1.101 -7.630 -5.531 278 HD1 TRP 40 HD TRP 40 2.198 -8.613 -8.998 279 HE1 TRP 40 1HE TRP 40 3.976 -7.003 -9.879 280 HE3 TRP 40 3HE TRP 40 3.093 -5.971 -4.699 281 HZ2 TRP 40 2HZ TRP 40 5.528 -4.774 -8.880 282 HZ3 TRP 40 3HZ TRP 40 4.732 -4.107 -4.703 283 HH2 TRP 40 HH TRP 40 5.941 -3.497 -6.779 284 H TRP 41 H TRP 41 2.066 -9.248 -2.892 285 HA TRP 41 HA TRP 41 -0.468 -10.815 -2.606 286 HB2 TRP 41 1HB TRP 41 2.028 -10.999 -0.879 287 HB3 TRP 41 2HB TRP 41 0.502 -11.830 -0.575 288 HD1 TRP 41 HD TRP 41 3.730 -12.500 -1.994 289 HE1 TRP 41 1HE TRP 41 3.742 -14.397 -3.727 290 HE3 TRP 41 3HE TRP 41 -1.311 -12.948 -2.730 291 HZ2 TRP 41 2HZ TRP 41 1.818 -15.742 -5.414 292 HZ3 TRP 41 3HZ TRP 41 -2.193 -14.478 -4.439 293 HH2 TRP 41 HH TRP 41 -0.648 -15.893 -5.800 294 H GLN 42 H GLN 42 -1.858 -10.209 -0.967 295 HA GLN 42 HA GLN 42 -1.758 -7.345 -0.381 296 HB2 GLN 42 1HB GLN 42 -3.763 -8.708 -1.256 297 HB3 GLN 42 2HB GLN 42 -3.926 -9.325 0.392 298 HG2 GLN 42 1HG GLN 42 -4.084 -6.908 1.174 299 HG3 GLN 42 2HG GLN 42 -4.085 -6.410 -0.516 300 HE21 GLN 42 2HE2 GLN 42 -6.203 -6.142 1.653 301 HE22 GLN 42 1HE2 GLN 42 -7.622 -6.887 0.937 302 H TYR 43 H TYR 43 -1.640 -6.374 1.626 303 HA TYR 43 HA TYR 43 -0.661 -7.839 3.955 304 HB2 TYR 43 1HB TYR 43 -1.582 -5.000 3.456 305 HB3 TYR 43 2HB TYR 43 -1.093 -5.551 5.049 306 HD1 TYR 43 1HD TYR 43 1.265 -6.241 5.505 307 HD2 TYR 43 2HD TYR 43 0.038 -4.560 1.748 308 HE1 TYR 43 1HE TYR 43 3.627 -5.666 4.988 309 HE2 TYR 43 2HE TYR 43 2.383 -3.944 1.224 310 HH TYR 43 HH TYR 43 4.528 -4.071 1.899 311 H ASP 44 H ASP 44 -1.680 -7.737 6.067 312 HA ASP 44 HA ASP 44 -4.540 -8.421 6.107 313 HB2 ASP 44 1HB ASP 44 -2.868 -9.541 7.540 314 HB3 ASP 44 2HB ASP 44 -2.547 -8.018 8.374 315 H GLU 45 H GLU 45 -6.121 -7.262 7.238 316 HA GLU 45 HA GLU 45 -6.139 -4.454 6.700 317 HB2 GLU 45 1HB GLU 45 -8.359 -4.459 7.722 318 HB3 GLU 45 2HB GLU 45 -8.150 -5.761 6.552 319 HG2 GLU 45 1HG GLU 45 -7.854 -7.398 8.375 320 HG3 GLU 45 2HG GLU 45 -7.964 -6.108 9.570 321 H ARG 46 H ARG 46 -5.132 -6.137 9.612 322 HA ARG 46 HA ARG 46 -5.254 -3.835 11.412 323 HB2 ARG 46 1HB ARG 46 -3.650 -6.434 11.411 324 HB3 ARG 46 2HB ARG 46 -3.354 -5.151 12.570 325 HG2 ARG 46 1HG ARG 46 -4.756 -6.606 13.670 326 HG3 ARG 46 2HG ARG 46 -5.726 -5.185 13.250 327 HD2 ARG 46 1HD ARG 46 -6.716 -6.523 11.341 328 HD3 ARG 46 2HD ARG 46 -5.777 -7.908 11.895 329 HE ARG 46 HE ARG 46 -7.201 -8.213 13.689 330 HH11 ARG 46 1HH1 ARG 46 -8.090 -5.150 12.150 331 HH12 ARG 46 2HH1 ARG 46 -9.592 -5.050 13.015 332 HH21 ARG 46 1HH2 ARG 46 -9.141 -8.007 14.783 333 HH22 ARG 46 2HH2 ARG 46 -10.167 -6.635 14.499 334 H THR 47 H THR 47 -2.890 -5.227 9.269 335 HA THR 47 HA THR 47 -0.764 -3.338 9.853 336 HB THR 47 HB THR 47 -0.966 -5.452 7.672 337 HG1 THR 47 1HG THR 47 0.310 -6.577 9.230 338 HG21 THR 47 3HG2 THR 47 1.564 -5.281 7.796 339 HG22 THR 47 1HG2 THR 47 0.762 -3.879 7.062 340 HG23 THR 47 2HG2 THR 47 1.343 -3.773 8.731 341 H SER 48 H SER 48 -2.786 -3.815 6.879 342 HA SER 48 HA SER 48 -1.409 -1.860 5.361 343 HB2 SER 48 1HB SER 48 -3.294 -1.953 3.833 344 HB3 SER 48 2HB SER 48 -2.845 -3.574 4.384 345 HG SER 48 HG SER 48 -5.134 -3.243 4.423 346 H ARG 49 H ARG 49 -4.124 -1.425 7.601 347 HA ARG 49 HA ARG 49 -4.726 1.248 6.842 348 HB2 ARG 49 1HB ARG 49 -6.064 1.392 8.747 349 HB3 ARG 49 2HB ARG 49 -6.144 -0.271 8.201 350 HG2 ARG 49 1HG ARG 49 -5.965 -0.540 10.482 351 HG3 ARG 49 2HG ARG 49 -4.328 -0.795 9.930 352 HD2 ARG 49 1HD ARG 49 -4.547 0.521 12.066 353 HD3 ARG 49 2HD ARG 49 -3.601 1.298 10.823 354 HE ARG 49 HE ARG 49 -6.448 2.058 10.975 355 HH11 ARG 49 1HH1 ARG 49 -3.152 2.972 11.982 356 HH12 ARG 49 2HH1 ARG 49 -3.538 4.686 11.875 357 HH21 ARG 49 1HH2 ARG 49 -6.852 4.289 11.042 358 HH22 ARG 49 2HH2 ARG 49 -5.572 5.376 11.508 359 H GLU 50 H GLU 50 -2.040 -0.021 8.769 360 HA GLU 50 HA GLU 50 -1.420 2.527 10.061 361 HB2 GLU 50 1HB GLU 50 0.385 0.136 9.495 362 HB3 GLU 50 2HB GLU 50 0.771 1.474 10.562 363 HG2 GLU 50 1HG GLU 50 -1.632 -0.339 11.037 364 HG3 GLU 50 2HG GLU 50 -0.023 -0.694 11.644 365 H LEU 51 H LEU 51 -0.507 0.897 7.085 366 HA LEU 51 HA LEU 51 1.534 2.734 6.199 367 HB2 LEU 51 1HB LEU 51 -0.149 0.854 4.502 368 HB3 LEU 51 2HB LEU 51 1.494 1.406 4.200 369 HG LEU 51 HG LEU 51 0.625 -0.526 6.397 370 HD11 LEU 51 1HD1 LEU 51 0.464 -1.471 4.143 371 HD12 LEU 51 2HD1 LEU 51 2.170 -1.060 3.844 372 HD13 LEU 51 3HD1 LEU 51 1.730 -2.241 5.106 373 HD21 LEU 51 3HD2 LEU 51 3.057 -0.890 6.738 374 HD22 LEU 51 1HD2 LEU 51 3.389 0.441 5.606 375 HD23 LEU 51 2HD2 LEU 51 2.574 0.755 7.149 376 H GLU 52 H GLU 52 -1.906 2.279 5.426 377 HA GLU 52 HA GLU 52 -2.267 4.453 3.665 378 HB2 GLU 52 1HB GLU 52 -3.805 2.456 4.171 379 HB3 GLU 52 2HB GLU 52 -4.293 3.314 5.624 380 HG2 GLU 52 1HG GLU 52 -5.967 3.741 4.023 381 HG3 GLU 52 2HG GLU 52 -5.061 5.234 4.149 382 H ASP 53 H ASP 53 -2.242 4.405 7.234 383 HA ASP 53 HA ASP 53 -3.453 7.046 7.511 384 HB2 ASP 53 1HB ASP 53 -3.603 5.053 9.082 385 HB3 ASP 53 2HB ASP 53 -1.958 5.387 9.581 386 H ALA 54 H ALA 54 -0.245 5.671 7.570 387 HA ALA 54 HA ALA 54 1.256 7.763 8.693 388 HB1 ALA 54 1HB ALA 54 2.143 5.576 8.378 389 HB2 ALA 54 2HB ALA 54 1.957 5.670 6.614 390 HB3 ALA 54 3HB ALA 54 3.168 6.689 7.438 391 H PHE 55 H PHE 55 0.603 7.376 5.142 392 HA PHE 55 HA PHE 55 1.912 9.886 4.523 393 HB2 PHE 55 1HB PHE 55 1.216 9.601 2.320 394 HB3 PHE 55 2HB PHE 55 1.629 8.014 2.917 395 HD1 PHE 55 2HD PHE 55 -1.241 10.263 2.140 396 HD2 PHE 55 1HD PHE 55 0.065 6.201 2.749 397 HE1 PHE 55 2HE PHE 55 -3.376 9.433 1.170 398 HE2 PHE 55 1HE PHE 55 -2.031 5.381 1.707 399 HZ PHE 55 HZ PHE 55 -3.763 6.983 0.942 400 H SER 56 H SER 56 -1.183 9.099 5.723 401 HA SER 56 HA SER 56 -2.484 11.660 5.042 402 HB2 SER 56 1HB SER 56 -3.557 9.299 5.410 403 HB3 SER 56 2HB SER 56 -3.462 9.706 7.124 404 HG SER 56 HG SER 56 -5.472 10.356 6.166 405 H LYS 57 H LYS 57 -0.704 10.298 7.804 406 HA LYS 57 HA LYS 57 -1.278 12.450 9.676 407 HB2 LYS 57 1HB LYS 57 0.763 10.214 9.507 408 HB3 LYS 57 2HB LYS 57 0.782 11.398 10.816 409 HG2 LYS 57 1HG LYS 57 -1.218 10.651 11.756 410 HG3 LYS 57 2HG LYS 57 -1.792 9.918 10.257 411 HD2 LYS 57 1HD LYS 57 -1.113 8.184 11.887 412 HD3 LYS 57 2HD LYS 57 -0.188 8.131 10.401 413 HE2 LYS 57 1HE LYS 57 1.532 7.878 11.877 414 HE3 LYS 57 2HE LYS 57 1.563 9.623 11.705 415 HZ1 LYS 57 3HZ LYS 57 1.611 9.013 14.051 416 HZ2 LYS 57 1HZ LYS 57 0.214 9.799 13.741 417 HZ3 LYS 57 2HZ LYS 57 0.215 8.175 13.923 418 H GLY 58 H GLY 58 1.482 11.666 7.540 419 HA2 GLY 58 1HA GLY 58 2.425 13.666 6.330 420 HA3 GLY 58 2HA GLY 58 2.601 14.435 7.920 421 H LYS 59 H LYS 59 3.307 11.256 8.574 422 HA LYS 59 HA LYS 59 6.175 11.652 8.457 423 HB2 LYS 59 1HB LYS 59 6.248 9.226 9.157 424 HB3 LYS 59 2HB LYS 59 5.427 10.322 10.255 425 HG2 LYS 59 1HG LYS 59 3.261 9.537 9.638 426 HG3 LYS 59 2HG LYS 59 3.903 8.712 8.210 427 HD2 LYS 59 1HD LYS 59 3.309 7.146 10.033 428 HD3 LYS 59 2HD LYS 59 4.986 7.054 9.545 429 HE2 LYS 59 1HE LYS 59 5.647 8.437 11.516 430 HE3 LYS 59 2HE LYS 59 3.959 8.478 12.036 431 HZ1 LYS 59 3HZ LYS 59 5.159 6.718 13.173 432 HZ2 LYS 59 1HZ LYS 59 4.069 6.009 12.179 433 HZ3 LYS 59 2HZ LYS 59 5.645 6.046 11.769 434 H LYS 60 H LYS 60 7.693 10.481 7.300 435 HA LYS 60 HA LYS 60 6.879 9.871 4.501 436 HB2 LYS 60 1HB LYS 60 9.031 10.481 3.843 437 HB3 LYS 60 2HB LYS 60 8.549 11.666 5.048 438 HG2 LYS 60 1HG LYS 60 9.954 10.436 6.735 439 HG3 LYS 60 2HG LYS 60 10.493 9.359 5.427 440 HD2 LYS 60 1HD LYS 60 11.389 11.306 4.186 441 HD3 LYS 60 2HD LYS 60 10.867 12.383 5.500 442 HE2 LYS 60 1HE LYS 60 12.330 11.143 7.089 443 HE3 LYS 60 2HE LYS 60 12.854 10.077 5.779 444 HZ1 LYS 60 3HZ LYS 60 14.441 11.869 6.152 445 HZ2 LYS 60 1HZ LYS 60 13.794 12.027 4.661 446 HZ3 LYS 60 2HZ LYS 60 13.308 13.010 5.875 447 H ASN 61 H ASN 61 7.356 8.104 7.223 448 HA ASN 61 HA ASN 61 7.429 5.627 5.880 449 HB2 ASN 61 1HB ASN 61 9.525 4.669 6.682 450 HB3 ASN 61 2HB ASN 61 9.880 6.061 5.673 451 HD21 ASN 61 2HD2 ASN 61 10.342 8.105 6.788 452 HD22 ASN 61 1HD2 ASN 61 11.143 8.078 8.350 453 H THR 62 H THR 62 7.097 3.872 7.308 454 HA THR 62 HA THR 62 6.541 4.438 10.162 455 HB THR 62 HB THR 62 4.507 5.041 8.820 456 HG1 THR 62 1HG THR 62 3.226 3.907 10.416 457 HG21 THR 62 3HG2 THR 62 2.974 3.195 8.238 458 HG22 THR 62 1HG2 THR 62 4.421 3.175 7.223 459 HG23 THR 62 2HG2 THR 62 4.250 2.004 8.554 460 H GLU 63 H GLU 63 5.512 2.245 11.109 461 HA GLU 63 HA GLU 63 7.409 0.060 10.349 462 HB2 GLU 63 1HB GLU 63 6.894 1.374 13.041 463 HB3 GLU 63 2HB GLU 63 7.633 -0.222 12.876 464 HG2 GLU 63 1HG GLU 63 9.404 0.701 11.469 465 HG3 GLU 63 2HG GLU 63 8.717 2.320 11.593 466 H MET 64 H MET 64 6.791 -1.983 10.697 467 HA MET 64 HA MET 64 4.174 -2.666 11.875 468 HB2 MET 64 1HB MET 64 3.480 -3.814 9.760 469 HB3 MET 64 2HB MET 64 3.473 -2.050 9.654 470 HG2 MET 64 1HG MET 64 5.520 -2.023 8.389 471 HG3 MET 64 2HG MET 64 5.856 -3.706 8.775 472 HE1 MET 64 3HE MET 64 5.693 -4.386 5.214 473 HE2 MET 64 1HE MET 64 6.640 -3.545 6.467 474 HE3 MET 64 2HE MET 64 6.029 -5.186 6.762 475 H LEU 65 H LEU 65 3.838 -4.840 12.211 476 HA LEU 65 HA LEU 65 6.255 -6.554 12.261 477 HB2 LEU 65 1HB LEU 65 4.506 -5.804 14.319 478 HB3 LEU 65 2HB LEU 65 3.844 -7.342 13.829 479 HG LEU 65 HG LEU 65 5.333 -7.608 15.674 480 HD11 LEU 65 1HD1 LEU 65 5.339 -9.460 14.070 481 HD12 LEU 65 2HD1 LEU 65 6.761 -8.756 13.267 482 HD13 LEU 65 3HD1 LEU 65 6.874 -9.311 14.941 483 HD21 LEU 65 3HD2 LEU 65 7.677 -6.989 15.666 484 HD22 LEU 65 1HD2 LEU 65 7.567 -6.441 13.980 485 HD23 LEU 65 2HD2 LEU 65 6.681 -5.575 15.250 486 H ILE 66 H ILE 66 6.208 -8.507 11.429 487 HA ILE 66 HA ILE 66 3.819 -9.396 9.805 488 HB ILE 66 HB ILE 66 5.205 -10.210 8.111 489 HG12 ILE 66 1HG1 ILE 66 7.763 -8.998 8.785 490 HG13 ILE 66 2HG1 ILE 66 7.333 -10.120 10.047 491 HG21 ILE 66 1HG2 ILE 66 4.409 -7.851 8.104 492 HG22 ILE 66 2HG2 ILE 66 5.981 -7.335 8.738 493 HG23 ILE 66 3HG2 ILE 66 5.870 -8.127 7.149 494 HD11 ILE 66 3HD1 ILE 66 8.668 -11.084 8.096 495 HD12 ILE 66 1HD1 ILE 66 7.232 -11.987 8.575 496 HD13 ILE 66 2HD1 ILE 66 7.179 -10.959 7.140 497 H ALA 67 H ALA 67 5.187 -11.920 9.094 498 HA ALA 67 HA ALA 67 4.178 -13.628 11.083 499 HB1 ALA 67 1HB ALA 67 4.576 -14.169 8.671 500 HB2 ALA 67 2HB ALA 67 6.334 -14.124 8.971 501 HB3 ALA 67 3HB ALA 67 5.331 -15.362 9.751 502 H GLY 68 H GLY 68 7.205 -11.949 11.184 503 HA2 GLY 68 1HA GLY 68 7.846 -12.912 13.789 504 HA3 GLY 68 2HA GLY 68 8.833 -13.777 12.632 505 H PHE 69 H PHE 69 8.162 -10.467 11.739 506 HA PHE 69 HA PHE 69 10.780 -9.487 12.709 507 HB2 PHE 69 1HB PHE 69 10.071 -9.794 9.757 508 HB3 PHE 69 2HB PHE 69 11.482 -8.964 10.379 509 HD1 PHE 69 2HD PHE 69 13.304 -10.241 11.557 510 HD2 PHE 69 1HD PHE 69 10.042 -12.226 9.545 511 HE1 PHE 69 2HE PHE 69 14.596 -12.362 11.539 512 HE2 PHE 69 1HE PHE 69 11.344 -14.333 9.513 513 HZ PHE 69 HZ PHE 69 13.621 -14.408 10.513 514 H LEU 70 H LEU 70 11.082 -7.271 12.537 515 HA LEU 70 HA LEU 70 8.697 -5.576 12.034 516 HB2 LEU 70 1HB LEU 70 10.250 -5.400 14.113 517 HB3 LEU 70 2HB LEU 70 11.447 -4.754 13.006 518 HG LEU 70 HG LEU 70 10.472 -2.961 14.186 519 HD11 LEU 70 1HD1 LEU 70 10.802 -2.594 11.675 520 HD12 LEU 70 2HD1 LEU 70 9.028 -2.719 11.543 521 HD13 LEU 70 3HD1 LEU 70 9.755 -1.457 12.534 522 HD21 LEU 70 3HD2 LEU 70 8.049 -2.409 14.129 523 HD22 LEU 70 1HD2 LEU 70 7.733 -3.972 13.347 524 HD23 LEU 70 2HD2 LEU 70 8.419 -3.921 14.981 525 H TYR 71 H TYR 71 8.464 -4.620 10.162 526 HA TYR 71 HA TYR 71 10.818 -4.062 8.399 527 HB2 TYR 71 1HB TYR 71 8.042 -4.813 7.595 528 HB3 TYR 71 2HB TYR 71 9.263 -4.211 6.474 529 HD1 TYR 71 1HD TYR 71 11.678 -5.852 7.564 530 HD2 TYR 71 2HD TYR 71 7.613 -6.902 6.593 531 HE1 TYR 71 1HE TYR 71 12.370 -8.196 7.185 532 HE2 TYR 71 2HE TYR 71 8.266 -9.239 6.330 533 HH TYR 71 HH TYR 71 11.695 -10.326 6.645 534 H VAL 72 H VAL 72 11.134 -2.110 7.713 535 HA VAL 72 HA VAL 72 9.444 0.096 8.722 536 HB VAL 72 HB VAL 72 12.164 0.218 7.377 537 HG11 VAL 72 1HG1 VAL 72 10.898 2.352 7.220 538 HG12 VAL 72 2HG1 VAL 72 10.609 2.308 8.974 539 HG13 VAL 72 3HG1 VAL 72 12.256 2.503 8.343 540 HG21 VAL 72 3HG2 VAL 72 13.068 0.634 9.647 541 HG22 VAL 72 1HG2 VAL 72 11.475 0.266 10.340 542 HG23 VAL 72 2HG2 VAL 72 12.398 -0.990 9.484 543 H ALA 73 H ALA 73 7.849 0.625 7.434 544 HA ALA 73 HA ALA 73 7.833 0.252 4.532 545 HB1 ALA 73 1HB ALA 73 5.893 -0.253 6.052 546 HB2 ALA 73 2HB ALA 73 5.778 1.465 6.428 547 HB3 ALA 73 3HB ALA 73 5.505 0.916 4.759 548 H ASP 74 H ASP 74 9.204 1.655 3.547 549 HA ASP 74 HA ASP 74 9.172 4.539 4.152 550 HB2 ASP 74 1HB ASP 74 11.296 3.402 3.745 551 HB3 ASP 74 2HB ASP 74 10.744 2.887 2.149 552 H LEU 75 H LEU 75 7.592 5.739 3.378 553 HA LEU 75 HA LEU 75 5.945 5.085 1.097 554 HB2 LEU 75 1HB LEU 75 6.268 7.458 2.974 555 HB3 LEU 75 2HB LEU 75 5.224 7.576 1.588 556 HG LEU 75 HG LEU 75 4.812 5.285 3.549 557 HD11 LEU 75 1HD1 LEU 75 4.780 7.271 4.966 558 HD12 LEU 75 2HD1 LEU 75 3.764 8.143 3.801 559 HD13 LEU 75 3HD1 LEU 75 3.113 6.745 4.678 560 HD21 LEU 75 3HD2 LEU 75 2.502 5.520 2.694 561 HD22 LEU 75 1HD2 LEU 75 3.044 6.802 1.592 562 HD23 LEU 75 2HD2 LEU 75 3.689 5.159 1.415 563 H GLU 76 H GLU 76 8.896 6.951 1.468 564 HA GLU 76 HA GLU 76 8.542 8.724 -0.740 565 HB2 GLU 76 1HB GLU 76 11.069 7.720 0.636 566 HB3 GLU 76 2HB GLU 76 11.026 9.019 -0.541 567 HG2 GLU 76 1HG GLU 76 9.528 9.019 2.114 568 HG3 GLU 76 2HG GLU 76 11.089 9.777 1.855 569 H ASN 77 H ASN 77 10.402 5.673 -0.508 570 HA ASN 77 HA ASN 77 10.733 5.572 -3.465 571 HB2 ASN 77 1HB ASN 77 11.977 3.899 -1.246 572 HB3 ASN 77 2HB ASN 77 12.394 3.836 -2.955 573 HD21 ASN 77 2HD2 ASN 77 12.600 5.797 0.003 574 HD22 ASN 77 1HD2 ASN 77 13.899 6.837 -0.592 575 H MET 78 H MET 78 8.572 4.495 -1.187 576 HA MET 78 HA MET 78 7.002 2.848 -0.953 577 HB2 MET 78 1HB MET 78 7.322 2.515 -3.957 578 HB3 MET 78 2HB MET 78 6.044 1.804 -2.983 579 HG2 MET 78 1HG MET 78 6.273 4.739 -2.631 580 HG3 MET 78 2HG MET 78 5.952 4.233 -4.277 581 HE1 MET 78 3HE MET 78 3.147 3.545 -0.678 582 HE2 MET 78 1HE MET 78 4.707 2.707 -0.773 583 HE3 MET 78 2HE MET 78 4.651 4.486 -0.662 584 H VAL 79 H VAL 79 8.968 1.885 0.244 585 HA VAL 79 HA VAL 79 9.234 -0.914 -0.691 586 HB VAL 79 HB VAL 79 11.645 -1.066 -0.295 587 HG11 VAL 79 1HG1 VAL 79 10.860 -0.719 -2.603 588 HG12 VAL 79 2HG1 VAL 79 11.069 1.037 -2.402 589 HG13 VAL 79 3HG1 VAL 79 12.470 -0.048 -2.317 590 HG21 VAL 79 3HG2 VAL 79 13.068 0.938 -0.147 591 HG22 VAL 79 1HG2 VAL 79 11.623 1.960 -0.007 592 HG23 VAL 79 2HG2 VAL 79 12.016 0.770 1.255 593 H GLN 80 H GLN 80 9.775 -2.471 0.792 594 HA GLN 80 HA GLN 80 9.729 -1.734 3.685 595 HB2 GLN 80 1HB GLN 80 9.276 -4.374 2.204 596 HB3 GLN 80 2HB GLN 80 9.221 -4.182 3.960 597 HG2 GLN 80 1HG GLN 80 7.377 -2.849 1.960 598 HG3 GLN 80 2HG GLN 80 6.990 -4.264 2.935 599 HE21 GLN 80 2HE2 GLN 80 5.203 -2.273 3.220 600 HE22 GLN 80 1HE2 GLN 80 5.490 -1.420 4.723 601 H TYR 81 H TYR 81 11.416 -2.199 4.965 602 HA TYR 81 HA TYR 81 13.325 -4.291 4.275 603 HB2 TYR 81 1HB TYR 81 15.311 -2.782 4.695 604 HB3 TYR 81 2HB TYR 81 14.503 -2.652 3.155 605 HD1 TYR 81 2HD TYR 81 14.530 -0.965 6.548 606 HD2 TYR 81 1HD TYR 81 13.999 -0.575 2.285 607 HE1 TYR 81 2HE TYR 81 14.423 1.497 6.789 608 HE2 TYR 81 1HE TYR 81 13.907 1.883 2.507 609 HH TYR 81 HH TYR 81 14.201 3.523 5.704 610 H ARG 82 H ARG 82 14.709 -4.909 6.033 611 HA ARG 82 HA ARG 82 13.408 -4.737 8.646 612 HB2 ARG 82 1HB ARG 82 14.371 -6.819 7.765 613 HB3 ARG 82 2HB ARG 82 15.975 -6.081 7.700 614 HG2 ARG 82 1HG ARG 82 16.024 -5.878 10.137 615 HG3 ARG 82 2HG ARG 82 14.358 -6.482 10.261 616 HD2 ARG 82 1HD ARG 82 15.011 -8.660 9.452 617 HD3 ARG 82 2HD ARG 82 16.632 -8.077 9.014 618 HE ARG 82 HE ARG 82 16.416 -7.531 11.720 619 HH11 ARG 82 1HH1 ARG 82 16.402 -10.494 9.780 620 HH12 ARG 82 2HH1 ARG 82 17.123 -11.428 11.057 621 HH21 ARG 82 1HH2 ARG 82 17.266 -8.786 13.318 622 HH22 ARG 82 2HH2 ARG 82 17.583 -10.476 13.054 623 H ARG 83 H ARG 83 14.155 -3.678 10.486 624 HA ARG 83 HA ARG 83 15.441 -1.206 10.275 625 HB2 ARG 83 1HB ARG 83 15.121 -3.071 12.654 626 HB3 ARG 83 2HB ARG 83 15.827 -1.457 12.789 627 HG2 ARG 83 1HG ARG 83 13.770 -0.413 11.953 628 HG3 ARG 83 2HG ARG 83 13.041 -2.003 11.700 629 HD2 ARG 83 1HD ARG 83 12.222 -0.994 13.794 630 HD3 ARG 83 2HD ARG 83 13.087 -2.493 14.083 631 HE ARG 83 HE ARG 83 14.867 -1.345 15.086 632 HH11 ARG 83 1HH1 ARG 83 12.320 1.005 14.236 633 HH12 ARG 83 2HH1 ARG 83 13.159 2.286 15.061 634 HH21 ARG 83 1HH2 ARG 83 15.809 0.350 16.169 635 HH22 ARG 83 2HH2 ARG 83 15.054 1.913 16.176 636 H ASN 84 H ASN 84 17.045 -4.328 10.712 637 HA ASN 84 HA ASN 84 19.558 -3.316 11.610 638 HB2 ASN 84 1HB ASN 84 18.830 -5.946 10.259 639 HB3 ASN 84 2HB ASN 84 20.373 -5.604 11.035 640 HD21 ASN 84 2HD2 ASN 84 20.478 -5.456 13.373 641 HD22 ASN 84 1HD2 ASN 84 19.133 -6.005 14.355 642 H GLU 85 H GLU 85 18.273 -3.495 8.314 643 HA GLU 85 HA GLU 85 20.429 -1.913 7.337 644 HB2 GLU 85 1HB GLU 85 21.317 -3.384 5.593 645 HB3 GLU 85 2HB GLU 85 21.744 -3.915 7.208 646 HG2 GLU 85 1HG GLU 85 19.941 -5.658 7.091 647 HG3 GLU 85 2HG GLU 85 19.603 -5.157 5.430 648 H HIS 86 H HIS 86 19.676 -0.624 5.804 649 HA HIS 86 HA HIS 86 16.999 -0.999 4.730 650 HB2 HIS 86 1HB HIS 86 17.346 1.249 3.865 651 HB3 HIS 86 2HB HIS 86 17.819 1.147 5.564 652 HD2 HIS 86 2HD HIS 86 19.253 1.737 2.060 653 HE1 HIS 86 1HE HIS 86 22.504 2.261 4.760 654 HE2 HIS 86 2HE HIS 86 21.756 2.508 2.336 655 H GLY 87 H GLY 87 20.098 -1.793 3.611 656 HA2 GLY 87 1HA GLY 87 20.046 -1.318 0.835 657 HA3 GLY 87 2HA GLY 87 21.001 -2.593 1.619 658 H ARG 88 H ARG 88 19.530 -4.580 2.298 659 HA ARG 88 HA ARG 88 18.079 -5.573 -0.021 660 HB2 ARG 88 1HB ARG 88 18.635 -6.589 2.768 661 HB3 ARG 88 2HB ARG 88 17.267 -7.265 1.910 662 HG2 ARG 88 1HG ARG 88 20.153 -7.312 0.957 663 HG3 ARG 88 2HG ARG 88 19.228 -8.659 1.613 664 HD2 ARG 88 1HD ARG 88 18.918 -7.306 -1.076 665 HD3 ARG 88 2HD ARG 88 19.290 -8.988 -0.732 666 HE ARG 88 HE ARG 88 16.973 -9.277 0.129 667 HH11 ARG 88 1HH1 ARG 88 17.494 -6.732 -2.310 668 HH12 ARG 88 2HH1 ARG 88 15.777 -6.493 -2.514 669 HH21 ARG 88 1HH2 ARG 88 14.817 -8.896 -0.211 670 HH22 ARG 88 2HH2 ARG 88 14.317 -7.718 -1.417 671 H ARG 89 H ARG 89 16.147 -5.027 -0.602 672 HA ARG 89 HA ARG 89 14.014 -4.345 1.285 673 HB2 ARG 89 1HB ARG 89 13.647 -2.121 0.441 674 HB3 ARG 89 2HB ARG 89 15.298 -2.267 1.011 675 HG2 ARG 89 1HG ARG 89 15.908 -2.726 -1.494 676 HG3 ARG 89 2HG ARG 89 14.291 -2.069 -1.832 677 HD2 ARG 89 1HD ARG 89 14.909 0.000 -0.599 678 HD3 ARG 89 2HD ARG 89 16.508 -0.644 -0.295 679 HE ARG 89 HE ARG 89 15.473 0.502 -2.770 680 HH11 ARG 89 1HH1 ARG 89 18.036 -1.660 -1.566 681 HH12 ARG 89 2HH1 ARG 89 19.049 -1.321 -2.935 682 HH21 ARG 89 1HH2 ARG 89 16.839 0.848 -4.493 683 HH22 ARG 89 2HH2 ARG 89 18.383 0.057 -4.563 684 H ARG 90 H ARG 90 11.944 -3.947 0.231 685 HA ARG 90 HA ARG 90 11.565 -5.409 -2.371 686 HB2 ARG 90 1HB ARG 90 10.016 -5.762 0.238 687 HB3 ARG 90 2HB ARG 90 9.586 -6.491 -1.317 688 HG2 ARG 90 1HG ARG 90 11.728 -7.732 -1.342 689 HG3 ARG 90 2HG ARG 90 12.162 -7.025 0.230 690 HD2 ARG 90 1HD ARG 90 10.179 -8.044 1.271 691 HD3 ARG 90 2HD ARG 90 9.703 -8.724 -0.296 692 HE ARG 90 HE ARG 90 12.401 -9.400 0.805 693 HH11 ARG 90 1HH1 ARG 90 9.180 -10.672 -0.060 694 HH12 ARG 90 2HH1 ARG 90 9.764 -12.312 0.147 695 HH21 ARG 90 1HH2 ARG 90 12.999 -11.320 0.953 696 HH22 ARG 90 2HH2 ARG 90 11.925 -12.712 0.748 697 H LYS 91 H LYS 91 10.303 -4.323 -3.782 698 HA LYS 91 HA LYS 91 9.085 -1.815 -3.176 699 HB2 LYS 91 1HB LYS 91 9.689 -3.447 -5.477 700 HB3 LYS 91 2HB LYS 91 8.005 -3.010 -5.583 701 HG2 LYS 91 1HG LYS 91 10.207 -0.974 -5.054 702 HG3 LYS 91 2HG LYS 91 9.768 -1.487 -6.672 703 HD2 LYS 91 1HD LYS 91 7.779 -0.253 -4.726 704 HD3 LYS 91 2HD LYS 91 8.709 0.683 -5.892 705 HE2 LYS 91 1HE LYS 91 7.657 -0.471 -7.756 706 HE3 LYS 91 2HE LYS 91 6.863 -1.614 -6.666 707 HZ1 LYS 91 3HZ LYS 91 5.349 0.147 -7.355 708 HZ2 LYS 91 1HZ LYS 91 5.580 0.203 -5.733 709 HZ3 LYS 91 2HZ LYS 91 6.317 1.299 -6.715 710 H ILE 92 H ILE 92 7.031 -1.146 -2.969 711 HA ILE 92 HA ILE 92 4.811 -3.139 -2.739 712 HB ILE 92 HB ILE 92 3.958 -2.109 -0.753 713 HG12 ILE 92 1HG1 ILE 92 6.150 -0.089 -1.131 714 HG13 ILE 92 2HG1 ILE 92 4.423 0.143 -0.927 715 HG21 ILE 92 1HG2 ILE 92 5.710 -3.911 -0.624 716 HG22 ILE 92 2HG2 ILE 92 6.897 -2.644 -0.266 717 HG23 ILE 92 3HG2 ILE 92 5.506 -2.918 0.815 718 HD11 ILE 92 3HD1 ILE 92 5.615 0.881 1.061 719 HD12 ILE 92 1HD1 ILE 92 4.674 -0.571 1.475 720 HD13 ILE 92 2HD1 ILE 92 6.437 -0.676 1.221 721 H LYS 93 H LYS 93 2.658 -2.033 -2.658 722 HA LYS 93 HA LYS 93 2.428 0.509 -4.084 723 HB2 LYS 93 1HB LYS 93 1.255 -0.387 -6.021 724 HB3 LYS 93 2HB LYS 93 2.870 -1.081 -5.938 725 HG2 LYS 93 1HG LYS 93 1.995 -3.193 -5.073 726 HG3 LYS 93 2HG LYS 93 0.372 -2.494 -4.907 727 HD2 LYS 93 1HD LYS 93 0.196 -2.181 -7.313 728 HD3 LYS 93 2HD LYS 93 1.812 -2.880 -7.561 729 HE2 LYS 93 1HE LYS 93 1.118 -5.041 -7.060 730 HE3 LYS 93 2HE LYS 93 -0.143 -4.490 -5.945 731 HZ1 LYS 93 3HZ LYS 93 -1.076 -5.407 -7.995 732 HZ2 LYS 93 1HZ LYS 93 -1.509 -3.848 -7.749 733 HZ3 LYS 93 2HZ LYS 93 -0.367 -4.222 -8.881 734 H ARG 94 H ARG 94 0.156 1.108 -4.496 735 HA ARG 94 HA ARG 94 -1.797 -0.036 -2.537 736 HB2 ARG 94 1HB ARG 94 -1.525 2.786 -3.638 737 HB3 ARG 94 2HB ARG 94 -2.957 2.188 -2.788 738 HG2 ARG 94 1HG ARG 94 -1.640 1.723 -0.779 739 HG3 ARG 94 2HG ARG 94 -0.156 2.238 -1.592 740 HD2 ARG 94 1HD ARG 94 -0.896 4.035 -0.183 741 HD3 ARG 94 2HD ARG 94 -1.089 4.531 -1.854 742 HE ARG 94 HE ARG 94 -3.224 3.873 0.131 743 HH11 ARG 94 1HH1 ARG 94 -2.568 5.004 -3.181 744 HH12 ARG 94 2HH1 ARG 94 -4.191 5.589 -3.372 745 HH21 ARG 94 1HH2 ARG 94 -5.193 4.759 -0.142 746 HH22 ARG 94 2HH2 ARG 94 -5.681 5.414 -1.689 747 H ASP 95 H ASP 95 -3.853 -0.400 -3.223 748 HA ASP 95 HA ASP 95 -4.734 0.068 -6.008 749 HB2 ASP 95 1HB ASP 95 -4.236 -2.631 -4.738 750 HB3 ASP 95 2HB ASP 95 -5.641 -2.446 -5.771 751 H ILE 96 H ILE 96 -7.090 -0.539 -6.220 752 HA ILE 96 HA ILE 96 -8.611 0.119 -3.716 753 HB ILE 96 HB ILE 96 -9.202 1.056 -6.557 754 HG12 ILE 96 1HG1 ILE 96 -7.253 2.244 -5.549 755 HG13 ILE 96 2HG1 ILE 96 -8.629 3.280 -5.873 756 HG21 ILE 96 1HG2 ILE 96 -11.286 0.761 -5.403 757 HG22 ILE 96 2HG2 ILE 96 -10.652 1.473 -3.902 758 HG23 ILE 96 3HG2 ILE 96 -10.937 2.482 -5.332 759 HD11 ILE 96 3HD1 ILE 96 -7.463 3.667 -3.646 760 HD12 ILE 96 1HD1 ILE 96 -9.220 3.408 -3.560 761 HD13 ILE 96 2HD1 ILE 96 -8.117 2.093 -3.125 762 H ILE 97 H ILE 97 -10.280 -1.084 -3.265 763 HA ILE 97 HA ILE 97 -11.070 -3.348 -5.032 764 HB ILE 97 HB ILE 97 -12.002 -2.727 -2.227 765 HG12 ILE 97 1HG1 ILE 97 -10.589 -4.903 -1.834 766 HG13 ILE 97 2HG1 ILE 97 -9.676 -4.368 -3.231 767 HG21 ILE 97 1HG2 ILE 97 -13.615 -4.029 -3.410 768 HG22 ILE 97 2HG2 ILE 97 -12.362 -5.147 -4.013 769 HG23 ILE 97 3HG2 ILE 97 -12.775 -5.087 -2.281 770 HD11 ILE 97 3HD1 ILE 97 -9.070 -3.656 -0.717 771 HD12 ILE 97 1HD1 ILE 97 -8.778 -2.542 -2.071 772 HD13 ILE 97 2HD1 ILE 97 -10.205 -2.348 -1.012 773 H ASP 98 H ASP 98 -13.011 -3.500 -5.989 774 HA ASP 98 HA ASP 98 -14.801 -1.126 -5.926 775 HB2 ASP 98 1HB ASP 98 -13.740 -1.862 -8.064 776 HB3 ASP 98 2HB ASP 98 -14.630 -3.379 -7.953 777 H ILE 99 H ILE 99 -14.840 -4.486 -5.142 778 HA ILE 99 HA ILE 99 -16.195 -5.793 -3.921 779 HB ILE 99 HB ILE 99 -18.112 -3.476 -3.619 780 HG12 ILE 99 1HG1 ILE 99 -15.847 -2.929 -2.744 781 HG13 ILE 99 2HG1 ILE 99 -17.098 -2.956 -1.521 782 HG21 ILE 99 1HG2 ILE 99 -19.198 -5.606 -3.092 783 HG22 ILE 99 2HG2 ILE 99 -17.895 -6.020 -1.968 784 HG23 ILE 99 3HG2 ILE 99 -18.952 -4.633 -1.642 785 HD11 ILE 99 3HD1 ILE 99 -14.881 -3.959 -0.852 786 HD12 ILE 99 1HD1 ILE 99 -16.277 -5.023 -0.597 787 HD13 ILE 99 2HD1 ILE 99 -15.197 -5.293 -1.981 788 HA PRO 100 HA PRO 100 -18.677 -7.310 -7.306 789 HB2 PRO 100 1HB PRO 100 -19.266 -9.814 -6.424 790 HB3 PRO 100 2HB PRO 100 -17.600 -9.321 -6.841 791 HG2 PRO 100 1HG PRO 100 -18.886 -9.373 -4.086 792 HG3 PRO 100 2HG PRO 100 -17.321 -10.097 -4.586 793 HD2 PRO 100 1HD PRO 100 -17.473 -7.636 -3.416 794 HD3 PRO 100 2HD PRO 100 -16.275 -7.982 -4.693 795 H LYS 101 H LYS 101 -20.863 -8.280 -7.717 796 HA LYS 101 HA LYS 101 -22.948 -6.792 -6.477 797 HB2 LYS 101 1HB LYS 101 -24.433 -8.028 -7.928 798 HB3 LYS 101 2HB LYS 101 -22.980 -7.549 -8.803 799 HG2 LYS 101 1HG LYS 101 -22.068 -9.864 -8.544 800 HG3 LYS 101 2HG LYS 101 -23.545 -10.338 -7.681 801 HD2 LYS 101 1HD LYS 101 -24.897 -9.778 -9.683 802 HD3 LYS 101 2HD LYS 101 -23.419 -9.302 -10.548 803 HE2 LYS 101 1HE LYS 101 -22.513 -11.603 -10.260 804 HE3 LYS 101 2HE LYS 101 -23.986 -12.077 -9.402 805 HZ1 LYS 101 3HZ LYS 101 -24.079 -12.714 -11.738 806 HZ2 LYS 101 1HZ LYS 101 -25.241 -11.607 -11.434 807 HZ3 LYS 101 2HZ LYS 101 -23.879 -11.168 -12.227 808 H LYS 102 H LYS 102 -21.517 -9.680 -5.338 809 HA LYS 102 HA LYS 102 -23.746 -10.610 -3.694 810 HB2 LYS 102 1HB LYS 102 -21.845 -12.018 -4.498 811 HB3 LYS 102 2HB LYS 102 -20.745 -11.107 -3.453 812 HG2 LYS 102 1HG LYS 102 -21.945 -11.907 -1.450 813 HG3 LYS 102 2HG LYS 102 -23.187 -12.649 -2.462 814 HD2 LYS 102 1HD LYS 102 -21.694 -14.380 -1.658 815 HD3 LYS 102 2HD LYS 102 -21.543 -14.215 -3.401 816 HE2 LYS 102 1HE LYS 102 -19.344 -14.528 -2.535 817 HE3 LYS 102 2HE LYS 102 -19.452 -12.852 -3.071 818 HZ1 LYS 102 3HZ LYS 102 -18.387 -13.049 -0.894 819 HZ2 LYS 102 1HZ LYS 102 -19.780 -12.214 -0.729 820 HZ3 LYS 102 2HZ LYS 102 -19.699 -13.778 -0.256 821 H GLY 103 H GLY 103 -21.146 -8.258 -3.286 822 HA2 GLY 103 1HA GLY 103 -21.930 -7.584 -0.487 823 HA3 GLY 103 2HA GLY 103 -20.575 -6.906 -1.418 824 H VAL 104 H VAL 104 -21.769 -6.034 -3.718 825 HA VAL 104 HA VAL 104 -23.503 -3.794 -2.857 826 HB VAL 104 HB VAL 104 -22.435 -4.370 -5.650 827 HG11 VAL 104 1HG1 VAL 104 -24.396 -2.779 -5.553 828 HG12 VAL 104 2HG1 VAL 104 -23.493 -1.788 -4.395 829 HG13 VAL 104 3HG1 VAL 104 -22.902 -1.984 -6.055 830 HG21 VAL 104 3HG2 VAL 104 -20.752 -2.593 -5.146 831 HG22 VAL 104 1HG2 VAL 104 -21.268 -2.615 -3.445 832 HG23 VAL 104 2HG2 VAL 104 -20.522 -4.049 -4.182 833 H SER 105 H SER 105 -25.068 -5.490 -2.171 834 HA SER 105 HA SER 105 -26.626 -6.775 -4.365 835 HB2 SER 105 1HB SER 105 -27.323 -8.327 -2.584 836 HB3 SER 105 2HB SER 105 -25.566 -8.250 -2.770 837 HG SER 105 HG SER 105 -26.174 -8.172 -0.557 838 H GLY 106 H GLY 106 -27.029 -4.127 -2.217 839 HA2 GLY 106 1HA GLY 106 -29.923 -4.512 -1.800 840 HA3 GLY 106 2HA GLY 106 -28.917 -3.191 -1.177 841 HA PRO 107 HA PRO 107 -31.183 -1.839 -5.166 842 HB2 PRO 107 1HB PRO 107 -33.566 -0.844 -4.278 843 HB3 PRO 107 2HB PRO 107 -33.340 -2.564 -4.719 844 HG2 PRO 107 1HG PRO 107 -33.228 -1.326 -1.947 845 HG3 PRO 107 2HG PRO 107 -34.147 -2.772 -2.477 846 HD2 PRO 107 1HD PRO 107 -31.708 -2.974 -1.272 847 HD3 PRO 107 2HD PRO 107 -32.195 -4.094 -2.580 848 H SER 108 H SER 108 -30.748 -0.533 -1.889 849 HA SER 108 HA SER 108 -30.572 2.259 -2.791 850 HB2 SER 108 1HB SER 108 -30.104 2.615 -0.351 851 HB3 SER 108 2HB SER 108 -31.654 1.839 -0.702 852 HG SER 108 HG SER 108 -30.506 0.801 1.029 853 H SER 109 H SER 109 -28.430 -0.329 -2.978 854 HA SER 109 HA SER 109 -26.008 1.016 -2.059 855 HB2 SER 109 1HB SER 109 -26.261 -1.524 -3.699 856 HB3 SER 109 2HB SER 109 -24.872 -0.999 -2.741 857 HG SER 109 HG SER 109 -26.139 -1.264 -0.846 858 H GLY 110 H GLY 110 -27.758 1.499 -4.857 859 HA2 GLY 110 1HA GLY 110 -25.811 3.134 -6.134 860 HA3 GLY 110 2HA GLY 110 -25.841 1.580 -6.966 861 H5'1 ATP 201 H5" ATP 111 11.673 -13.178 4.457 862 H5'2 ATP 201 H5' ATP 111 10.638 -13.072 3.027 863 H4' ATP 201 H4' ATP 111 9.987 -14.582 5.595 864 H3' ATP 201 H3' ATP 111 8.924 -15.249 3.157 865 HO3' ATP 201 H3T ATP 111 6.866 -15.494 4.428 866 H2' ATP 201 H2' ATP 111 8.315 -13.020 2.568 867 HO2' ATP 201 2HO ATP 111 5.963 -12.896 2.862 868 H1' ATP 201 H1' ATP 111 7.144 -12.683 5.339 869 H8 ATP 201 8H ATP 111 9.743 -10.520 3.402 870 HN61 ATP 201 2H6 ATP 111 6.805 -6.599 2.882 871 HN62 ATP 201 1H6 ATP 111 5.151 -6.301 3.429 872 H2 ATP 201 2H ATP 111 3.693 -9.836 5.465 Start of MODEL 11 1 HA PRO 1 HA PRO 1 -29.650 14.531 -14.702 2 HB2 PRO 1 1HB PRO 1 -31.208 16.654 -13.250 3 HB3 PRO 1 2HB PRO 1 -30.251 15.289 -12.607 4 HG2 PRO 1 1HG PRO 1 -29.409 18.048 -13.127 5 HG3 PRO 1 2HG PRO 1 -28.423 16.736 -12.419 6 HD2 PRO 1 1HD PRO 1 -27.868 17.792 -14.886 7 HD3 PRO 1 2HD PRO 1 -27.584 16.081 -14.480 8 H SER 2 H SER 2 -31.886 13.631 -14.148 9 HA SER 2 HA SER 2 -34.218 14.640 -15.558 10 HB2 SER 2 1HB SER 2 -34.473 12.769 -17.095 11 HB3 SER 2 2HB SER 2 -32.976 13.637 -17.450 12 HG SER 2 HG SER 2 -32.636 11.373 -17.458 13 H SER 3 H SER 3 -36.131 13.219 -15.209 14 HA SER 3 HA SER 3 -36.340 12.387 -12.522 15 HB2 SER 3 1HB SER 3 -38.192 11.682 -14.823 16 HB3 SER 3 2HB SER 3 -38.604 11.765 -13.102 17 HG SER 3 HG SER 3 -39.241 13.671 -14.238 18 H GLY 4 H GLY 4 -34.912 10.566 -14.979 19 HA2 GLY 4 1HA GLY 4 -35.573 7.886 -13.936 20 HA3 GLY 4 2HA GLY 4 -34.369 8.301 -15.183 21 H SER 5 H SER 5 -33.451 10.416 -13.002 22 HA SER 5 HA SER 5 -31.915 8.561 -11.203 23 HB2 SER 5 1HB SER 5 -30.724 10.738 -12.957 24 HB3 SER 5 2HB SER 5 -29.860 9.846 -11.696 25 HG SER 5 HG SER 5 -29.526 8.966 -13.821 26 H SER 6 H SER 6 -33.040 11.904 -11.792 27 HA SER 6 HA SER 6 -33.566 13.607 -10.433 28 HB2 SER 6 1HB SER 6 -33.742 11.470 -8.289 29 HB3 SER 6 2HB SER 6 -34.440 13.093 -8.207 30 HG SER 6 HG SER 6 -35.964 11.503 -8.919 31 H GLY 7 H GLY 7 -30.555 12.518 -10.255 32 HA2 GLY 7 1HA GLY 7 -28.661 13.816 -9.690 33 HA3 GLY 7 2HA GLY 7 -29.615 14.752 -8.526 34 H PHE 8 H PHE 8 -27.135 13.914 -7.857 35 HA PHE 8 HA PHE 8 -27.464 11.671 -5.929 36 HB2 PHE 8 1HB PHE 8 -25.214 12.240 -7.908 37 HB3 PHE 8 2HB PHE 8 -25.179 11.010 -6.668 38 HD1 PHE 8 1HD PHE 8 -27.012 9.156 -6.718 39 HD2 PHE 8 2HD PHE 8 -26.131 11.741 -10.057 40 HE1 PHE 8 1HE PHE 8 -28.100 7.541 -8.260 41 HE2 PHE 8 2HE PHE 8 -27.212 10.122 -11.595 42 HZ PHE 8 HZ PHE 8 -28.201 8.020 -10.699 43 H LEU 9 H LEU 9 -25.837 11.594 -4.269 44 HA LEU 9 HA LEU 9 -24.302 13.980 -3.558 45 HB2 LEU 9 1HB LEU 9 -26.647 14.515 -2.874 46 HB3 LEU 9 2HB LEU 9 -26.707 13.023 -1.941 47 HG LEU 9 HG LEU 9 -24.957 13.901 -0.410 48 HD11 LEU 9 1HD1 LEU 9 -23.732 15.432 -1.918 49 HD12 LEU 9 2HD1 LEU 9 -25.176 16.457 -2.073 50 HD13 LEU 9 3HD1 LEU 9 -24.338 16.312 -0.514 51 HD21 LEU 9 3HD2 LEU 9 -26.369 15.592 0.681 52 HD22 LEU 9 1HD2 LEU 9 -27.324 15.781 -0.806 53 HD23 LEU 9 2HD2 LEU 9 -27.347 14.241 0.085 54 H ASP 10 H ASP 10 -22.800 13.569 -1.872 55 HA ASP 10 HA ASP 10 -22.539 10.858 -0.736 56 HB2 ASP 10 1HB ASP 10 -21.511 10.925 -3.081 57 HB3 ASP 10 2HB ASP 10 -20.363 12.100 -2.429 58 H LYS 11 H LYS 11 -20.547 10.716 0.546 59 HA LYS 11 HA LYS 11 -20.643 12.816 2.584 60 HB2 LYS 11 1HB LYS 11 -19.726 9.940 2.344 61 HB3 LYS 11 2HB LYS 11 -19.142 10.890 3.696 62 HG2 LYS 11 1HG LYS 11 -21.955 11.405 3.575 63 HG3 LYS 11 2HG LYS 11 -21.779 9.681 3.267 64 HD2 LYS 11 1HD LYS 11 -20.607 11.203 5.641 65 HD3 LYS 11 2HD LYS 11 -22.103 10.254 5.667 66 HE2 LYS 11 1HE LYS 11 -20.828 8.203 5.054 67 HE3 LYS 11 2HE LYS 11 -19.324 9.131 5.065 68 HZ1 LYS 11 3HZ LYS 11 -19.662 7.973 7.163 69 HZ2 LYS 11 1HZ LYS 11 -19.699 9.584 7.429 70 HZ3 LYS 11 2HZ LYS 11 -21.089 8.722 7.416 71 HA PRO 12 HA PRO 12 -16.727 14.718 2.009 72 HB2 PRO 12 1HB PRO 12 -15.890 15.318 4.546 73 HB3 PRO 12 2HB PRO 12 -17.311 16.064 3.779 74 HG2 PRO 12 1HG PRO 12 -17.225 13.716 5.702 75 HG3 PRO 12 2HG PRO 12 -18.288 15.159 5.771 76 HD2 PRO 12 1HD PRO 12 -19.083 12.767 4.709 77 HD3 PRO 12 2HD PRO 12 -19.690 14.310 4.081 78 H THR 13 H THR 13 -14.377 14.730 2.965 79 HA THR 13 HA THR 13 -13.230 12.133 3.585 80 HB THR 13 HB THR 13 -13.837 11.921 1.156 81 HG1 THR 13 1HG THR 13 -12.003 10.900 0.768 82 HG21 THR 13 3HG2 THR 13 -12.738 13.190 -0.518 83 HG22 THR 13 1HG2 THR 13 -13.341 14.387 0.621 84 HG23 THR 13 2HG2 THR 13 -11.620 13.940 0.645 85 H LEU 14 H LEU 14 -10.897 12.140 3.357 86 HA LEU 14 HA LEU 14 -9.709 14.693 4.390 87 HB2 LEU 14 1HB LEU 14 -8.939 11.835 5.085 88 HB3 LEU 14 2HB LEU 14 -8.317 13.304 5.808 89 HG LEU 14 HG LEU 14 -11.195 13.388 6.124 90 HD11 LEU 14 1HD1 LEU 14 -11.186 10.959 5.706 91 HD12 LEU 14 2HD1 LEU 14 -10.005 10.732 7.016 92 HD13 LEU 14 3HD1 LEU 14 -11.636 11.342 7.379 93 HD21 LEU 14 3HD2 LEU 14 -10.656 13.367 8.512 94 HD22 LEU 14 1HD2 LEU 14 -9.002 12.815 8.160 95 HD23 LEU 14 2HD2 LEU 14 -9.542 14.425 7.626 96 H LEU 15 H LEU 15 -9.723 12.685 1.734 97 HA LEU 15 HA LEU 15 -6.828 12.692 1.172 98 HB2 LEU 15 1HB LEU 15 -9.084 11.787 -0.643 99 HB3 LEU 15 2HB LEU 15 -7.379 11.390 -0.768 100 HG LEU 15 HG LEU 15 -9.302 10.401 1.381 101 HD11 LEU 15 1HD1 LEU 15 -9.573 9.375 -0.857 102 HD12 LEU 15 2HD1 LEU 15 -7.847 8.949 -0.872 103 HD13 LEU 15 3HD1 LEU 15 -8.939 8.215 0.322 104 HD21 LEU 15 3HD2 LEU 15 -7.413 8.957 2.129 105 HD22 LEU 15 1HD2 LEU 15 -6.321 9.830 1.030 106 HD23 LEU 15 2HD2 LEU 15 -7.085 10.672 2.401 107 H SER 16 H SER 16 -6.598 13.028 -1.424 108 HA SER 16 HA SER 16 -6.947 15.928 -1.863 109 HB2 SER 16 1HB SER 16 -5.016 13.774 -2.739 110 HB3 SER 16 2HB SER 16 -5.106 15.275 -3.586 111 HG SER 16 HG SER 16 -3.510 15.316 -1.892 112 HA PRO 17 HA PRO 17 -9.644 15.388 -5.315 113 HB2 PRO 17 1HB PRO 17 -8.695 17.180 -7.177 114 HB3 PRO 17 2HB PRO 17 -9.544 17.658 -5.676 115 HG2 PRO 17 1HG PRO 17 -6.546 17.516 -6.152 116 HG3 PRO 17 2HG PRO 17 -7.491 18.853 -5.411 117 HD2 PRO 17 1HD PRO 17 -6.212 17.042 -3.875 118 HD3 PRO 17 2HD PRO 17 -7.832 17.657 -3.418 119 H GLU 18 H GLU 18 -6.191 14.971 -5.859 120 HA GLU 18 HA GLU 18 -6.570 13.523 -8.383 121 HB2 GLU 18 1HB GLU 18 -4.152 13.323 -8.414 122 HB3 GLU 18 2HB GLU 18 -4.663 14.987 -8.147 123 HG2 GLU 18 1HG GLU 18 -4.173 14.760 -5.722 124 HG3 GLU 18 2HG GLU 18 -3.669 13.086 -5.974 125 H GLU 19 H GLU 19 -6.810 12.607 -5.113 126 HA GLU 19 HA GLU 19 -6.020 9.782 -5.521 127 HB2 GLU 19 1HB GLU 19 -7.070 11.408 -3.183 128 HB3 GLU 19 2HB GLU 19 -7.088 9.662 -3.148 129 HG2 GLU 19 1HG GLU 19 -4.615 11.372 -3.598 130 HG3 GLU 19 2HG GLU 19 -5.141 10.735 -2.029 131 H LEU 20 H LEU 20 -8.881 11.697 -4.652 132 HA LEU 20 HA LEU 20 -10.823 9.645 -4.705 133 HB2 LEU 20 1HB LEU 20 -11.123 12.598 -5.384 134 HB3 LEU 20 2HB LEU 20 -12.431 11.549 -4.859 135 HG LEU 20 HG LEU 20 -9.996 11.952 -3.065 136 HD11 LEU 20 1HD1 LEU 20 -10.784 14.131 -3.855 137 HD12 LEU 20 2HD1 LEU 20 -12.403 13.780 -3.211 138 HD13 LEU 20 3HD1 LEU 20 -10.998 13.901 -2.105 139 HD21 LEU 20 3HD2 LEU 20 -11.523 11.399 -1.297 140 HD22 LEU 20 1HD2 LEU 20 -12.912 11.391 -2.412 141 HD23 LEU 20 2HD2 LEU 20 -11.643 10.150 -2.538 142 H LYS 21 H LYS 21 -10.085 12.043 -7.245 143 HA LYS 21 HA LYS 21 -11.685 10.821 -9.292 144 HB2 LYS 21 1HB LYS 21 -9.389 12.773 -9.336 145 HB3 LYS 21 2HB LYS 21 -9.978 12.103 -10.835 146 HG2 LYS 21 1HG LYS 21 -10.973 14.296 -10.287 147 HG3 LYS 21 2HG LYS 21 -12.138 13.015 -10.619 148 HD2 LYS 21 1HD LYS 21 -12.716 12.805 -8.279 149 HD3 LYS 21 2HD LYS 21 -11.392 13.889 -7.806 150 HE2 LYS 21 1HE LYS 21 -12.461 15.743 -9.074 151 HE3 LYS 21 2HE LYS 21 -13.767 14.659 -9.567 152 HZ1 LYS 21 3HZ LYS 21 -14.410 16.001 -7.662 153 HZ2 LYS 21 1HZ LYS 21 -14.378 14.429 -7.223 154 HZ3 LYS 21 2HZ LYS 21 -13.169 15.437 -6.764 155 H ALA 22 H ALA 22 -8.703 9.633 -8.027 156 HA ALA 22 HA ALA 22 -8.170 7.929 -10.407 157 HB1 ALA 22 1HB ALA 22 -6.252 8.955 -9.272 158 HB2 ALA 22 2HB ALA 22 -6.704 8.201 -7.735 159 HB3 ALA 22 3HB ALA 22 -6.206 7.191 -9.105 160 H ALA 23 H ALA 23 -8.974 7.489 -6.921 161 HA ALA 23 HA ALA 23 -9.363 4.641 -7.203 162 HB1 ALA 23 1HB ALA 23 -8.513 5.715 -5.153 163 HB2 ALA 23 2HB ALA 23 -10.055 6.574 -4.941 164 HB3 ALA 23 3HB ALA 23 -9.996 4.804 -4.815 165 H SER 24 H SER 24 -11.697 7.367 -6.922 166 HA SER 24 HA SER 24 -14.019 5.626 -6.723 167 HB2 SER 24 1HB SER 24 -13.775 7.978 -5.813 168 HB3 SER 24 2HB SER 24 -13.976 8.558 -7.477 169 HG SER 24 HG SER 24 -15.973 8.471 -6.291 170 H ARG 25 H ARG 25 -12.310 7.116 -9.423 171 HA ARG 25 HA ARG 25 -14.256 6.561 -11.468 172 HB2 ARG 25 1HB ARG 25 -12.332 8.152 -11.595 173 HB3 ARG 25 2HB ARG 25 -11.233 6.781 -11.707 174 HG2 ARG 25 1HG ARG 25 -11.663 7.751 -13.889 175 HG3 ARG 25 2HG ARG 25 -12.286 6.103 -13.847 176 HD2 ARG 25 1HD ARG 25 -14.583 6.955 -13.577 177 HD3 ARG 25 2HD ARG 25 -13.968 8.620 -13.469 178 HE ARG 25 HE ARG 25 -13.060 7.444 -15.897 179 HH11 ARG 25 1HH1 ARG 25 -16.097 8.618 -14.512 180 HH12 ARG 25 2HH1 ARG 25 -16.770 8.993 -16.073 181 HH21 ARG 25 1HH2 ARG 25 -13.986 7.951 -17.876 182 HH22 ARG 25 2HH2 ARG 25 -15.589 8.619 -17.948 183 H GLY 26 H GLY 26 -11.874 4.600 -9.827 184 HA2 GLY 26 1HA GLY 26 -12.141 2.221 -11.554 185 HA3 GLY 26 2HA GLY 26 -11.307 2.335 -9.983 186 H ASN 27 H ASN 27 -12.882 2.826 -8.108 187 HA ASN 27 HA ASN 27 -15.575 1.750 -8.278 188 HB2 ASN 27 1HB ASN 27 -14.229 -0.351 -8.416 189 HB3 ASN 27 2HB ASN 27 -13.467 0.065 -6.886 190 HD21 ASN 27 2HD2 ASN 27 -14.239 -1.566 -5.586 191 HD22 ASN 27 1HD2 ASN 27 -15.953 -1.819 -5.257 192 H GLY 28 H GLY 28 -12.968 3.079 -6.321 193 HA2 GLY 28 1HA GLY 28 -13.289 4.710 -4.639 194 HA3 GLY 28 2HA GLY 28 -14.915 4.079 -4.292 195 H GLU 29 H GLU 29 -12.972 1.433 -4.489 196 HA GLU 29 HA GLU 29 -12.414 1.231 -1.587 197 HB2 GLU 29 1HB GLU 29 -13.086 -0.613 -3.694 198 HB3 GLU 29 2HB GLU 29 -11.466 -0.978 -3.155 199 HG2 GLU 29 1HG GLU 29 -13.118 -2.271 -1.865 200 HG3 GLU 29 2HG GLU 29 -12.250 -1.157 -0.814 201 H TYR 30 H TYR 30 -10.205 -0.112 -1.272 202 HA TYR 30 HA TYR 30 -7.958 0.536 -2.903 203 HB2 TYR 30 1HB TYR 30 -6.795 2.100 -1.488 204 HB3 TYR 30 2HB TYR 30 -8.310 2.807 -1.991 205 HD1 TYR 30 2HD TYR 30 -10.339 2.578 -0.331 206 HD2 TYR 30 1HD TYR 30 -6.231 1.919 0.802 207 HE1 TYR 30 2HE TYR 30 -10.945 2.926 2.067 208 HE2 TYR 30 1HE TYR 30 -6.829 2.238 3.189 209 HH TYR 30 HH TYR 30 -8.496 2.689 4.690 210 H ALA 31 H ALA 31 -6.044 -0.428 -2.221 211 HA ALA 31 HA ALA 31 -5.797 -1.742 0.408 212 HB1 ALA 31 1HB ALA 31 -6.955 -3.512 -0.603 213 HB2 ALA 31 2HB ALA 31 -6.229 -3.235 -2.203 214 HB3 ALA 31 3HB ALA 31 -5.275 -3.956 -0.884 215 H TRP 32 H TRP 32 -3.714 -2.412 0.923 216 HA TRP 32 HA TRP 32 -1.501 -1.419 -0.813 217 HB2 TRP 32 1HB TRP 32 -1.595 -2.167 2.127 218 HB3 TRP 32 2HB TRP 32 -0.121 -1.825 1.243 219 HD1 TRP 32 HD TRP 32 -3.357 0.014 2.246 220 HE1 TRP 32 1HE TRP 32 -2.819 2.488 2.607 221 HE3 TRP 32 3HE TRP 32 1.567 0.000 0.777 222 HZ2 TRP 32 2HZ TRP 32 -0.530 4.235 2.357 223 HZ3 TRP 32 3HZ TRP 32 2.886 2.100 0.860 224 HH2 TRP 32 HH TRP 32 1.846 4.215 1.631 225 H TYR 33 H TYR 33 0.155 -2.722 -1.440 226 HA TYR 33 HA TYR 33 0.036 -5.665 -0.954 227 HB2 TYR 33 1HB TYR 33 0.160 -4.201 -3.606 228 HB3 TYR 33 2HB TYR 33 0.691 -5.858 -3.440 229 HD1 TYR 33 1HD TYR 33 -2.329 -3.659 -3.006 230 HD2 TYR 33 2HD TYR 33 -0.797 -7.613 -3.794 231 HE1 TYR 33 1HE TYR 33 -4.624 -4.446 -3.506 232 HE2 TYR 33 2HE TYR 33 -3.098 -8.404 -4.299 233 HH TYR 33 HH TYR 33 -5.948 -6.231 -4.127 234 H TYR 34 H TYR 34 2.014 -6.784 -1.432 235 HA TYR 34 HA TYR 34 4.497 -5.180 -1.777 236 HB2 TYR 34 1HB TYR 34 5.611 -6.332 -0.001 237 HB3 TYR 34 2HB TYR 34 4.161 -5.590 0.640 238 HD1 TYR 34 1HD TYR 34 2.181 -6.991 1.281 239 HD2 TYR 34 2HD TYR 34 5.921 -8.739 0.032 240 HE1 TYR 34 1HE TYR 34 1.485 -9.164 2.258 241 HE2 TYR 34 2HE TYR 34 5.231 -10.918 1.011 242 HH TYR 34 HH TYR 34 2.065 -11.361 2.647 243 H GLU 35 H GLU 35 6.230 -6.340 -2.816 244 HA GLU 35 HA GLU 35 5.421 -8.775 -4.294 245 HB2 GLU 35 1HB GLU 35 8.010 -7.183 -4.315 246 HB3 GLU 35 2HB GLU 35 7.759 -8.712 -5.168 247 HG2 GLU 35 1HG GLU 35 5.673 -7.564 -6.220 248 HG3 GLU 35 2HG GLU 35 6.427 -6.057 -5.681 249 H GLY 36 H GLY 36 5.386 -10.612 -3.260 250 HA2 GLY 36 1HA GLY 36 7.409 -11.385 -1.201 251 HA3 GLY 36 2HA GLY 36 5.937 -12.267 -1.641 252 H ARG 37 H ARG 37 7.150 -14.193 -1.865 253 HA ARG 37 HA ARG 37 9.417 -14.487 -3.580 254 HB2 ARG 37 1HB ARG 37 8.779 -15.980 -1.690 255 HB3 ARG 37 2HB ARG 37 7.415 -16.576 -2.639 256 HG2 ARG 37 1HG ARG 37 9.079 -17.407 -4.376 257 HG3 ARG 37 2HG ARG 37 10.383 -16.850 -3.315 258 HD2 ARG 37 1HD ARG 37 10.090 -19.216 -2.986 259 HD3 ARG 37 2HD ARG 37 9.509 -18.389 -1.528 260 HE ARG 37 HE ARG 37 7.344 -18.767 -3.383 261 HH11 ARG 37 1HH1 ARG 37 9.280 -20.730 -1.161 262 HH12 ARG 37 2HH1 ARG 37 8.002 -21.892 -0.950 263 HH21 ARG 37 1HH2 ARG 37 5.770 -20.243 -3.062 264 HH22 ARG 37 2HH2 ARG 37 6.023 -21.623 -2.027 265 H ASN 38 H ASN 38 5.956 -15.073 -4.179 266 HA ASN 38 HA ASN 38 6.520 -15.895 -6.978 267 HB2 ASN 38 1HB ASN 38 4.177 -16.378 -5.118 268 HB3 ASN 38 2HB ASN 38 4.166 -16.818 -6.822 269 HD21 ASN 38 2HD2 ASN 38 5.318 -18.671 -7.501 270 HD22 ASN 38 1HD2 ASN 38 6.126 -19.713 -6.344 271 H GLY 39 H GLY 39 5.351 -13.062 -5.468 272 HA2 GLY 39 1HA GLY 39 5.136 -11.404 -7.580 273 HA3 GLY 39 2HA GLY 39 3.579 -12.214 -7.673 274 H TRP 40 H TRP 40 2.762 -9.986 -7.344 275 HA TRP 40 HA TRP 40 2.989 -8.641 -4.823 276 HB2 TRP 40 1HB TRP 40 0.824 -8.533 -6.951 277 HB3 TRP 40 2HB TRP 40 0.985 -7.417 -5.604 278 HD1 TRP 40 HD TRP 40 2.222 -8.050 -9.065 279 HE1 TRP 40 1HE TRP 40 3.885 -6.254 -9.790 280 HE3 TRP 40 3HE TRP 40 2.984 -5.789 -4.536 281 HZ2 TRP 40 2HZ TRP 40 5.244 -3.986 -8.594 282 HZ3 TRP 40 3HZ TRP 40 4.465 -3.817 -4.363 283 HH2 TRP 40 HH TRP 40 5.579 -2.878 -6.371 284 H TRP 41 H TRP 41 2.020 -8.984 -2.937 285 HA TRP 41 HA TRP 41 -0.487 -10.593 -2.743 286 HB2 TRP 41 1HB TRP 41 1.944 -10.725 -0.916 287 HB3 TRP 41 2HB TRP 41 0.419 -11.578 -0.666 288 HD1 TRP 41 HD TRP 41 3.712 -12.259 -1.875 289 HE1 TRP 41 1HE TRP 41 3.831 -14.181 -3.581 290 HE3 TRP 41 3HE TRP 41 -1.273 -12.722 -2.916 291 HZ2 TRP 41 2HZ TRP 41 2.020 -15.527 -5.383 292 HZ3 TRP 41 3HZ TRP 41 -2.051 -14.271 -4.652 293 HH2 TRP 41 HH TRP 41 -0.422 -15.693 -5.913 294 H GLN 42 H GLN 42 -1.986 -9.905 -1.258 295 HA GLN 42 HA GLN 42 -1.846 -7.063 -0.626 296 HB2 GLN 42 1HB GLN 42 -3.875 -8.378 -1.483 297 HB3 GLN 42 2HB GLN 42 -4.031 -9.027 0.155 298 HG2 GLN 42 1HG GLN 42 -4.166 -6.645 1.000 299 HG3 GLN 42 2HG GLN 42 -4.128 -6.084 -0.669 300 HE21 GLN 42 2HE2 GLN 42 -6.269 -5.863 1.498 301 HE22 GLN 42 1HE2 GLN 42 -7.697 -6.531 0.724 302 H TYR 43 H TYR 43 -1.653 -6.071 1.355 303 HA TYR 43 HA TYR 43 -0.600 -7.517 3.648 304 HB2 TYR 43 1HB TYR 43 -1.472 -4.677 3.082 305 HB3 TYR 43 2HB TYR 43 -1.125 -5.190 4.725 306 HD1 TYR 43 1HD TYR 43 1.140 -6.190 5.289 307 HD2 TYR 43 2HD TYR 43 0.345 -4.076 1.629 308 HE1 TYR 43 1HE TYR 43 3.558 -5.690 5.064 309 HE2 TYR 43 2HE TYR 43 2.770 -3.580 1.377 310 HH TYR 43 HH TYR 43 5.186 -4.703 3.770 311 H ASP 44 H ASP 44 -1.520 -7.728 5.708 312 HA ASP 44 HA ASP 44 -4.343 -8.384 5.909 313 HB2 ASP 44 1HB ASP 44 -2.586 -9.492 7.233 314 HB3 ASP 44 2HB ASP 44 -2.189 -7.964 8.018 315 H GLU 45 H GLU 45 -5.880 -7.310 7.340 316 HA GLU 45 HA GLU 45 -5.974 -4.463 6.724 317 HB2 GLU 45 1HB GLU 45 -8.173 -4.525 7.819 318 HB3 GLU 45 2HB GLU 45 -7.990 -5.729 6.545 319 HG2 GLU 45 1HG GLU 45 -7.670 -7.508 8.220 320 HG3 GLU 45 2HG GLU 45 -7.755 -6.325 9.523 321 H ARG 46 H ARG 46 -4.822 -6.256 9.439 322 HA ARG 46 HA ARG 46 -4.871 -3.957 11.277 323 HB2 ARG 46 1HB ARG 46 -3.276 -6.508 11.616 324 HB3 ARG 46 2HB ARG 46 -3.798 -5.369 12.849 325 HG2 ARG 46 1HG ARG 46 -5.475 -7.416 11.367 326 HG3 ARG 46 2HG ARG 46 -5.165 -7.284 13.097 327 HD2 ARG 46 1HD ARG 46 -6.492 -5.128 13.088 328 HD3 ARG 46 2HD ARG 46 -6.876 -5.449 11.376 329 HE ARG 46 HE ARG 46 -7.534 -7.748 12.912 330 HH11 ARG 46 1HH1 ARG 46 -8.757 -4.464 12.415 331 HH12 ARG 46 2HH1 ARG 46 -10.391 -4.920 12.785 332 HH21 ARG 46 1HH2 ARG 46 -9.664 -8.264 13.393 333 HH22 ARG 46 2HH2 ARG 46 -10.893 -7.038 13.345 334 H THR 47 H THR 47 -2.835 -5.091 8.738 335 HA THR 47 HA THR 47 -0.461 -3.567 9.670 336 HB THR 47 HB THR 47 -0.766 -5.500 7.342 337 HG1 THR 47 1HG THR 47 0.402 -6.844 8.813 338 HG21 THR 47 3HG2 THR 47 1.767 -5.504 7.527 339 HG22 THR 47 1HG2 THR 47 1.089 -3.973 6.940 340 HG23 THR 47 2HG2 THR 47 1.625 -4.109 8.622 341 H SER 48 H SER 48 -2.564 -3.820 6.730 342 HA SER 48 HA SER 48 -1.328 -1.667 5.341 343 HB2 SER 48 1HB SER 48 -3.329 -1.658 3.949 344 HB3 SER 48 2HB SER 48 -2.763 -3.309 4.245 345 HG SER 48 HG SER 48 -5.054 -3.107 4.501 346 H ARG 49 H ARG 49 -3.803 -1.597 7.872 347 HA ARG 49 HA ARG 49 -4.572 1.109 7.525 348 HB2 ARG 49 1HB ARG 49 -5.599 1.008 9.610 349 HB3 ARG 49 2HB ARG 49 -5.728 -0.590 8.915 350 HG2 ARG 49 1HG ARG 49 -5.193 -1.075 11.107 351 HG3 ARG 49 2HG ARG 49 -3.651 -1.217 10.296 352 HD2 ARG 49 1HD ARG 49 -3.586 -0.109 12.565 353 HD3 ARG 49 2HD ARG 49 -2.845 0.805 11.279 354 HE ARG 49 HE ARG 49 -5.653 1.451 11.934 355 HH11 ARG 49 1HH1 ARG 49 -2.257 2.428 12.439 356 HH12 ARG 49 2HH1 ARG 49 -2.707 4.127 12.523 357 HH21 ARG 49 1HH2 ARG 49 -6.100 3.652 12.225 358 HH22 ARG 49 2HH2 ARG 49 -4.789 4.755 12.550 359 H GLU 50 H GLU 50 -1.601 -0.231 8.895 360 HA GLU 50 HA GLU 50 -0.854 2.205 10.326 361 HB2 GLU 50 1HB GLU 50 0.920 -0.047 9.292 362 HB3 GLU 50 2HB GLU 50 1.394 1.185 10.447 363 HG2 GLU 50 1HG GLU 50 -0.852 -0.806 11.003 364 HG3 GLU 50 2HG GLU 50 0.837 -1.125 11.357 365 H LEU 51 H LEU 51 -0.270 0.828 7.132 366 HA LEU 51 HA LEU 51 1.542 2.831 6.130 367 HB2 LEU 51 1HB LEU 51 -0.279 0.969 4.553 368 HB3 LEU 51 2HB LEU 51 1.252 1.667 4.040 369 HG LEU 51 HG LEU 51 0.917 -0.450 6.217 370 HD11 LEU 51 1HD1 LEU 51 0.381 -1.278 3.968 371 HD12 LEU 51 2HD1 LEU 51 1.978 -0.741 3.391 372 HD13 LEU 51 3HD1 LEU 51 1.846 -2.012 4.632 373 HD21 LEU 51 3HD2 LEU 51 3.391 -0.656 6.040 374 HD22 LEU 51 1HD2 LEU 51 3.409 0.771 4.975 375 HD23 LEU 51 2HD2 LEU 51 2.890 0.917 6.668 376 H GLU 52 H GLU 52 -1.958 2.277 5.767 377 HA GLU 52 HA GLU 52 -2.705 4.535 4.253 378 HB2 GLU 52 1HB GLU 52 -4.150 2.579 4.904 379 HB3 GLU 52 2HB GLU 52 -4.191 3.206 6.550 380 HG2 GLU 52 1HG GLU 52 -5.156 5.393 5.382 381 HG3 GLU 52 2HG GLU 52 -5.524 4.281 4.070 382 H ASP 53 H ASP 53 -2.257 4.248 7.829 383 HA ASP 53 HA ASP 53 -3.356 6.853 8.411 384 HB2 ASP 53 1HB ASP 53 -3.272 4.798 9.874 385 HB3 ASP 53 2HB ASP 53 -1.553 5.062 10.099 386 H ALA 54 H ALA 54 -0.154 5.521 7.998 387 HA ALA 54 HA ALA 54 1.426 7.706 8.886 388 HB1 ALA 54 1HB ALA 54 2.280 5.505 8.715 389 HB2 ALA 54 2HB ALA 54 1.902 5.394 6.987 390 HB3 ALA 54 3HB ALA 54 3.203 6.488 7.544 391 H PHE 55 H PHE 55 0.510 6.949 5.442 392 HA PHE 55 HA PHE 55 1.762 9.388 4.512 393 HB2 PHE 55 1HB PHE 55 1.265 8.733 2.431 394 HB3 PHE 55 2HB PHE 55 1.075 7.174 3.194 395 HD1 PHE 55 1HD PHE 55 -1.191 6.205 3.527 396 HD2 PHE 55 2HD PHE 55 -0.615 9.951 1.494 397 HE1 PHE 55 1HE PHE 55 -3.466 6.011 2.532 398 HE2 PHE 55 2HE PHE 55 -2.886 9.764 0.501 399 HZ PHE 55 HZ PHE 55 -4.312 7.791 1.015 400 H SER 56 H SER 56 -1.257 8.692 5.946 401 HA SER 56 HA SER 56 -2.619 11.181 5.183 402 HB2 SER 56 1HB SER 56 -3.684 8.927 5.796 403 HB3 SER 56 2HB SER 56 -3.346 9.342 7.476 404 HG SER 56 HG SER 56 -5.460 10.008 6.803 405 H LYS 57 H LYS 57 -0.660 10.091 7.961 406 HA LYS 57 HA LYS 57 -1.063 12.440 9.627 407 HB2 LYS 57 1HB LYS 57 0.949 10.168 9.516 408 HB3 LYS 57 2HB LYS 57 1.123 11.493 10.667 409 HG2 LYS 57 1HG LYS 57 -0.742 10.892 11.918 410 HG3 LYS 57 2HG LYS 57 -1.505 10.014 10.593 411 HD2 LYS 57 1HD LYS 57 -0.641 8.446 12.304 412 HD3 LYS 57 2HD LYS 57 0.105 8.220 10.736 413 HE2 LYS 57 1HE LYS 57 1.972 8.077 12.043 414 HE3 LYS 57 2HE LYS 57 2.016 9.781 11.632 415 HZ1 LYS 57 3HZ LYS 57 2.332 9.487 14.018 416 HZ2 LYS 57 1HZ LYS 57 0.926 10.276 13.768 417 HZ3 LYS 57 2HZ LYS 57 0.914 8.692 14.168 418 H GLY 58 H GLY 58 1.473 11.417 7.328 419 HA2 GLY 58 1HA GLY 58 2.337 13.254 5.860 420 HA3 GLY 58 2HA GLY 58 2.645 14.186 7.345 421 H LYS 59 H LYS 59 3.387 11.065 8.252 422 HA LYS 59 HA LYS 59 6.222 11.513 7.961 423 HB2 LYS 59 1HB LYS 59 6.408 9.132 8.811 424 HB3 LYS 59 2HB LYS 59 5.653 10.300 9.876 425 HG2 LYS 59 1HG LYS 59 3.471 9.441 9.527 426 HG3 LYS 59 2HG LYS 59 3.986 8.551 8.089 427 HD2 LYS 59 1HD LYS 59 3.614 7.075 10.038 428 HD3 LYS 59 2HD LYS 59 5.246 6.985 9.405 429 HE2 LYS 59 1HE LYS 59 6.039 8.486 11.237 430 HE3 LYS 59 2HE LYS 59 4.401 8.521 11.897 431 HZ1 LYS 59 3HZ LYS 59 5.723 6.845 13.017 432 HZ2 LYS 59 1HZ LYS 59 4.580 6.062 12.143 433 HZ3 LYS 59 2HZ LYS 59 6.123 6.115 11.612 434 H LYS 60 H LYS 60 7.710 10.280 6.889 435 HA LYS 60 HA LYS 60 6.853 9.572 4.129 436 HB2 LYS 60 1HB LYS 60 8.906 10.349 3.401 437 HB3 LYS 60 2HB LYS 60 8.437 11.482 4.652 438 HG2 LYS 60 1HG LYS 60 9.990 10.197 6.217 439 HG3 LYS 60 2HG LYS 60 10.538 9.292 4.790 440 HD2 LYS 60 1HD LYS 60 11.090 11.550 3.718 441 HD3 LYS 60 2HD LYS 60 10.715 12.300 5.263 442 HE2 LYS 60 1HE LYS 60 13.095 12.063 5.080 443 HE3 LYS 60 2HE LYS 60 12.532 10.976 6.351 444 HZ1 LYS 60 3HZ LYS 60 14.181 10.017 4.718 445 HZ2 LYS 60 1HZ LYS 60 12.820 9.127 4.872 446 HZ3 LYS 60 2HZ LYS 60 13.016 10.070 3.557 447 H ASN 61 H ASN 61 7.412 7.889 6.851 448 HA ASN 61 HA ASN 61 7.535 5.384 5.581 449 HB2 ASN 61 1HB ASN 61 9.650 4.477 6.362 450 HB3 ASN 61 2HB ASN 61 9.960 5.817 5.273 451 HD21 ASN 61 2HD2 ASN 61 10.306 7.949 6.356 452 HD22 ASN 61 1HD2 ASN 61 11.259 7.979 7.833 453 H THR 62 H THR 62 7.010 3.762 6.994 454 HA THR 62 HA THR 62 6.748 4.391 9.908 455 HB THR 62 HB THR 62 4.649 4.978 8.631 456 HG1 THR 62 1HG THR 62 3.432 3.961 10.360 457 HG21 THR 62 3HG2 THR 62 3.081 3.164 8.147 458 HG22 THR 62 1HG2 THR 62 4.545 2.928 7.182 459 HG23 THR 62 2HG2 THR 62 4.264 1.938 8.631 460 H GLU 63 H GLU 63 5.729 2.329 11.026 461 HA GLU 63 HA GLU 63 7.539 0.050 10.317 462 HB2 GLU 63 1HB GLU 63 6.986 1.402 12.986 463 HB3 GLU 63 2HB GLU 63 7.697 -0.210 12.848 464 HG2 GLU 63 1HG GLU 63 9.531 0.660 11.491 465 HG3 GLU 63 2HG GLU 63 8.873 2.294 11.571 466 H MET 64 H MET 64 6.867 -1.979 10.729 467 HA MET 64 HA MET 64 4.170 -2.560 11.781 468 HB2 MET 64 1HB MET 64 3.616 -3.792 9.654 469 HB3 MET 64 2HB MET 64 3.599 -2.033 9.524 470 HG2 MET 64 1HG MET 64 5.788 -2.035 8.453 471 HG3 MET 64 2HG MET 64 5.966 -3.769 8.732 472 HE1 MET 64 3HE MET 64 6.046 -3.538 5.000 473 HE2 MET 64 1HE MET 64 6.932 -3.197 6.486 474 HE3 MET 64 2HE MET 64 6.284 -4.834 6.197 475 H LEU 65 H LEU 65 3.783 -4.689 12.242 476 HA LEU 65 HA LEU 65 6.161 -6.438 12.509 477 HB2 LEU 65 1HB LEU 65 4.367 -5.497 14.434 478 HB3 LEU 65 2HB LEU 65 3.665 -7.043 14.035 479 HG LEU 65 HG LEU 65 5.081 -7.205 15.953 480 HD11 LEU 65 1HD1 LEU 65 5.055 -9.183 14.502 481 HD12 LEU 65 2HD1 LEU 65 6.544 -8.610 13.712 482 HD13 LEU 65 3HD1 LEU 65 6.558 -9.028 15.428 483 HD21 LEU 65 3HD2 LEU 65 7.438 -6.674 15.986 484 HD22 LEU 65 1HD2 LEU 65 7.427 -6.296 14.252 485 HD23 LEU 65 2HD2 LEU 65 6.527 -5.268 15.386 486 H ILE 66 H ILE 66 6.118 -8.452 11.833 487 HA ILE 66 HA ILE 66 3.764 -9.448 10.221 488 HB ILE 66 HB ILE 66 5.191 -10.366 8.604 489 HG12 ILE 66 1HG1 ILE 66 7.740 -9.115 9.259 490 HG13 ILE 66 2HG1 ILE 66 7.274 -10.163 10.575 491 HG21 ILE 66 1HG2 ILE 66 4.422 -8.004 8.422 492 HG22 ILE 66 2HG2 ILE 66 5.995 -7.464 9.035 493 HG23 ILE 66 3HG2 ILE 66 5.886 -8.370 7.509 494 HD11 ILE 66 3HD1 ILE 66 8.646 -11.243 8.714 495 HD12 ILE 66 1HD1 ILE 66 7.189 -12.106 9.206 496 HD13 ILE 66 2HD1 ILE 66 7.182 -11.158 7.716 497 H ALA 67 H ALA 67 5.064 -12.000 9.658 498 HA ALA 67 HA ALA 67 4.059 -13.604 11.721 499 HB1 ALA 67 1HB ALA 67 4.444 -14.263 9.346 500 HB2 ALA 67 2HB ALA 67 6.203 -14.194 9.622 501 HB3 ALA 67 3HB ALA 67 5.217 -15.403 10.469 502 H GLY 68 H GLY 68 7.124 -11.976 11.748 503 HA2 GLY 68 1HA GLY 68 7.744 -12.829 14.397 504 HA3 GLY 68 2HA GLY 68 8.711 -13.769 13.280 505 H PHE 69 H PHE 69 8.059 -10.457 12.312 506 HA PHE 69 HA PHE 69 10.710 -9.489 13.178 507 HB2 PHE 69 1HB PHE 69 9.961 -9.919 10.251 508 HB3 PHE 69 2HB PHE 69 11.363 -9.038 10.808 509 HD1 PHE 69 2HD PHE 69 13.270 -10.201 11.904 510 HD2 PHE 69 1HD PHE 69 9.948 -12.380 10.220 511 HE1 PHE 69 2HE PHE 69 14.628 -12.280 11.902 512 HE2 PHE 69 1HE PHE 69 11.309 -14.450 10.217 513 HZ PHE 69 HZ PHE 69 13.651 -14.407 11.058 514 H LEU 70 H LEU 70 11.052 -7.289 12.857 515 HA LEU 70 HA LEU 70 8.678 -5.579 12.327 516 HB2 LEU 70 1HB LEU 70 10.254 -5.337 14.382 517 HB3 LEU 70 2HB LEU 70 11.457 -4.774 13.234 518 HG LEU 70 HG LEU 70 10.536 -2.907 14.340 519 HD11 LEU 70 1HD1 LEU 70 10.869 -2.665 11.815 520 HD12 LEU 70 2HD1 LEU 70 9.091 -2.747 11.696 521 HD13 LEU 70 3HD1 LEU 70 9.855 -1.462 12.623 522 HD21 LEU 70 3HD2 LEU 70 8.132 -2.302 14.291 523 HD22 LEU 70 1HD2 LEU 70 7.764 -3.859 13.520 524 HD23 LEU 70 2HD2 LEU 70 8.446 -3.815 15.160 525 H TYR 71 H TYR 71 8.444 -4.710 10.416 526 HA TYR 71 HA TYR 71 10.806 -4.215 8.646 527 HB2 TYR 71 1HB TYR 71 7.998 -4.941 7.805 528 HB3 TYR 71 2HB TYR 71 9.273 -4.421 6.705 529 HD1 TYR 71 2HD TYR 71 11.612 -6.042 7.888 530 HD2 TYR 71 1HD TYR 71 7.547 -7.098 6.915 531 HE1 TYR 71 2HE TYR 71 12.287 -8.409 7.635 532 HE2 TYR 71 1HE TYR 71 8.192 -9.458 6.752 533 HH TYR 71 HH TYR 71 9.966 -10.993 6.784 534 H VAL 72 H VAL 72 11.095 -2.279 7.877 535 HA VAL 72 HA VAL 72 9.331 -0.037 8.687 536 HB VAL 72 HB VAL 72 12.036 0.056 7.310 537 HG11 VAL 72 1HG1 VAL 72 10.668 2.108 6.994 538 HG12 VAL 72 2HG1 VAL 72 10.448 2.229 8.754 539 HG13 VAL 72 3HG1 VAL 72 12.059 2.424 8.038 540 HG21 VAL 72 3HG2 VAL 72 12.990 0.709 9.492 541 HG22 VAL 72 1HG2 VAL 72 11.438 0.349 10.273 542 HG23 VAL 72 2HG2 VAL 72 12.378 -0.947 9.502 543 H ALA 73 H ALA 73 7.900 0.671 7.205 544 HA ALA 73 HA ALA 73 8.128 -0.108 4.330 545 HB1 ALA 73 1HB ALA 73 6.041 -0.748 5.462 546 HB2 ALA 73 2HB ALA 73 5.786 0.938 5.966 547 HB3 ALA 73 3HB ALA 73 5.744 0.506 4.242 548 H ASP 74 H ASP 74 8.938 1.343 3.023 549 HA ASP 74 HA ASP 74 9.323 4.153 3.821 550 HB2 ASP 74 1HB ASP 74 11.172 2.672 2.976 551 HB3 ASP 74 2HB ASP 74 10.363 2.629 1.411 552 H LEU 75 H LEU 75 7.744 5.504 3.356 553 HA LEU 75 HA LEU 75 5.771 4.971 1.254 554 HB2 LEU 75 1HB LEU 75 5.987 6.908 3.574 555 HB3 LEU 75 2HB LEU 75 4.833 7.189 2.289 556 HG LEU 75 HG LEU 75 3.679 5.140 2.724 557 HD11 LEU 75 1HD1 LEU 75 5.391 3.610 3.523 558 HD12 LEU 75 2HD1 LEU 75 5.551 4.566 5.023 559 HD13 LEU 75 3HD1 LEU 75 4.038 3.717 4.648 560 HD21 LEU 75 3HD2 LEU 75 2.648 5.816 4.803 561 HD22 LEU 75 1HD2 LEU 75 4.143 6.620 5.344 562 HD23 LEU 75 2HD2 LEU 75 3.210 7.284 4.000 563 H GLU 76 H GLU 76 8.773 6.533 1.240 564 HA GLU 76 HA GLU 76 8.041 8.620 -0.734 565 HB2 GLU 76 1HB GLU 76 10.793 7.629 0.112 566 HB3 GLU 76 2HB GLU 76 10.420 9.000 -0.907 567 HG2 GLU 76 1HG GLU 76 9.180 9.910 1.195 568 HG3 GLU 76 2HG GLU 76 10.005 8.626 2.072 569 H ASN 77 H ASN 77 10.005 5.658 -0.608 570 HA ASN 77 HA ASN 77 10.388 5.598 -3.532 571 HB2 ASN 77 1HB ASN 77 11.545 3.981 -1.220 572 HB3 ASN 77 2HB ASN 77 12.050 3.832 -2.900 573 HD21 ASN 77 2HD2 ASN 77 12.062 6.023 -0.049 574 HD22 ASN 77 1HD2 ASN 77 13.426 6.963 -0.641 575 H MET 78 H MET 78 8.186 4.317 -1.395 576 HA MET 78 HA MET 78 6.768 2.526 -1.253 577 HB2 MET 78 1HB MET 78 7.012 2.466 -4.274 578 HB3 MET 78 2HB MET 78 5.767 1.671 -3.307 579 HG2 MET 78 1HG MET 78 6.081 4.650 -3.025 580 HG3 MET 78 2HG MET 78 5.369 3.991 -4.483 581 HE1 MET 78 3HE MET 78 3.412 4.144 -0.343 582 HE2 MET 78 1HE MET 78 4.922 3.234 -0.501 583 HE3 MET 78 2HE MET 78 4.884 4.974 -0.889 584 H VAL 79 H VAL 79 8.859 1.694 -0.269 585 HA VAL 79 HA VAL 79 9.115 -1.118 -1.169 586 HB VAL 79 HB VAL 79 11.543 -1.223 -0.610 587 HG11 VAL 79 1HG1 VAL 79 10.890 -1.156 -2.935 588 HG12 VAL 79 2HG1 VAL 79 10.930 0.628 -2.930 589 HG13 VAL 79 3HG1 VAL 79 12.417 -0.312 -2.673 590 HG21 VAL 79 3HG2 VAL 79 12.897 0.815 -0.532 591 HG22 VAL 79 1HG2 VAL 79 11.439 1.812 -0.595 592 HG23 VAL 79 2HG2 VAL 79 11.750 0.752 0.802 593 H GLN 80 H GLN 80 10.253 -2.458 0.639 594 HA GLN 80 HA GLN 80 10.083 -1.288 3.313 595 HB2 GLN 80 1HB GLN 80 8.589 -2.964 4.220 596 HB3 GLN 80 2HB GLN 80 7.804 -2.145 2.879 597 HG2 GLN 80 1HG GLN 80 7.256 -4.232 2.222 598 HG3 GLN 80 2HG GLN 80 8.858 -4.276 1.516 599 HE21 GLN 80 2HE2 GLN 80 10.601 -5.429 2.860 600 HE22 GLN 80 1HE2 GLN 80 10.022 -6.677 3.973 601 H TYR 81 H TYR 81 11.281 -2.320 4.874 602 HA TYR 81 HA TYR 81 13.028 -4.612 4.263 603 HB2 TYR 81 1HB TYR 81 15.058 -3.094 4.623 604 HB3 TYR 81 2HB TYR 81 14.258 -3.024 3.073 605 HD1 TYR 81 2HD TYR 81 14.350 -1.209 6.391 606 HD2 TYR 81 1HD TYR 81 13.613 -0.960 2.151 607 HE1 TYR 81 2HE TYR 81 14.142 1.248 6.577 608 HE2 TYR 81 1HE TYR 81 13.420 1.501 2.323 609 HH TYR 81 HH TYR 81 13.418 3.342 3.747 610 H ARG 82 H ARG 82 14.378 -5.231 6.102 611 HA ARG 82 HA ARG 82 13.238 -4.712 8.740 612 HB2 ARG 82 1HB ARG 82 14.298 -6.836 8.052 613 HB3 ARG 82 2HB ARG 82 15.863 -6.030 7.931 614 HG2 ARG 82 1HG ARG 82 15.880 -5.590 10.335 615 HG3 ARG 82 2HG ARG 82 14.219 -6.199 10.495 616 HD2 ARG 82 1HD ARG 82 14.947 -8.440 9.810 617 HD3 ARG 82 2HD ARG 82 16.592 -7.865 9.546 618 HE ARG 82 HE ARG 82 15.188 -8.215 12.153 619 HH11 ARG 82 1HH1 ARG 82 18.258 -7.446 10.555 620 HH12 ARG 82 2HH1 ARG 82 19.154 -7.575 12.039 621 HH21 ARG 82 1HH2 ARG 82 16.413 -8.380 14.011 622 HH22 ARG 82 2HH2 ARG 82 18.126 -8.099 13.959 623 H ARG 83 H ARG 83 14.274 -3.563 10.523 624 HA ARG 83 HA ARG 83 14.901 -0.942 9.931 625 HB2 ARG 83 1HB ARG 83 15.469 -2.598 12.406 626 HB3 ARG 83 2HB ARG 83 15.875 -0.878 12.326 627 HG2 ARG 83 1HG ARG 83 13.562 -0.261 11.883 628 HG3 ARG 83 2HG ARG 83 13.079 -1.963 11.808 629 HD2 ARG 83 1HD ARG 83 12.469 -0.952 13.977 630 HD3 ARG 83 2HD ARG 83 13.576 -2.303 14.149 631 HE ARG 83 HE ARG 83 15.286 -0.894 14.860 632 HH11 ARG 83 1HH1 ARG 83 12.423 1.122 14.160 633 HH12 ARG 83 2HH1 ARG 83 13.198 2.534 14.812 634 HH21 ARG 83 1HH2 ARG 83 16.153 0.966 15.715 635 HH22 ARG 83 2HH2 ARG 83 15.240 2.442 15.709 636 H ASN 84 H ASN 84 17.364 -3.484 10.209 637 HA ASN 84 HA ASN 84 19.554 -1.505 9.879 638 HB2 ASN 84 1HB ASN 84 19.547 -3.327 11.643 639 HB3 ASN 84 2HB ASN 84 19.752 -4.492 10.335 640 HD21 ASN 84 2HD2 ASN 84 21.904 -5.022 9.989 641 HD22 ASN 84 1HD2 ASN 84 23.256 -3.955 10.327 642 H GLU 85 H GLU 85 17.570 -2.975 7.718 643 HA GLU 85 HA GLU 85 19.607 -4.025 5.819 644 HB2 GLU 85 1HB GLU 85 17.855 -5.523 6.669 645 HB3 GLU 85 2HB GLU 85 16.612 -4.404 6.116 646 HG2 GLU 85 1HG GLU 85 17.241 -4.840 3.767 647 HG3 GLU 85 2HG GLU 85 18.485 -5.977 4.330 648 H HIS 86 H HIS 86 19.655 -3.331 3.693 649 HA HIS 86 HA HIS 86 17.645 -1.440 2.660 650 HB2 HIS 86 1HB HIS 86 19.230 0.281 2.027 651 HB3 HIS 86 2HB HIS 86 19.238 0.053 3.770 652 HD2 HIS 86 2HD HIS 86 21.467 -1.014 4.880 653 HE1 HIS 86 1HE HIS 86 23.916 -0.831 1.403 654 HE2 HIS 86 2HE HIS 86 23.909 -1.223 3.921 655 H GLY 87 H GLY 87 20.535 -3.407 1.950 656 HA2 GLY 87 1HA GLY 87 20.311 -3.221 -0.915 657 HA3 GLY 87 2HA GLY 87 21.297 -4.377 0.007 658 H ARG 88 H ARG 88 18.436 -5.038 1.255 659 HA ARG 88 HA ARG 88 17.580 -6.960 -0.856 660 HB2 ARG 88 1HB ARG 88 18.801 -7.525 1.556 661 HB3 ARG 88 2HB ARG 88 17.112 -7.674 1.999 662 HG2 ARG 88 1HG ARG 88 18.501 -9.118 -0.307 663 HG3 ARG 88 2HG ARG 88 18.195 -9.791 1.299 664 HD2 ARG 88 1HD ARG 88 15.736 -9.436 0.914 665 HD3 ARG 88 2HD ARG 88 16.102 -8.997 -0.764 666 HE ARG 88 HE ARG 88 17.261 -11.323 -0.831 667 HH11 ARG 88 1HH1 ARG 88 14.284 -10.718 1.042 668 HH12 ARG 88 2HH1 ARG 88 13.803 -12.393 0.904 669 HH21 ARG 88 1HH2 ARG 88 16.446 -13.488 -0.924 670 HH22 ARG 88 2HH2 ARG 88 14.896 -13.803 -0.135 671 H ARG 89 H ARG 89 16.535 -4.183 -0.037 672 HA ARG 89 HA ARG 89 13.980 -4.321 1.143 673 HB2 ARG 89 1HB ARG 89 13.580 -2.158 0.132 674 HB3 ARG 89 2HB ARG 89 15.197 -2.263 0.816 675 HG2 ARG 89 1HG ARG 89 16.018 -2.769 -1.587 676 HG3 ARG 89 2HG ARG 89 14.398 -2.268 -2.110 677 HD2 ARG 89 1HD ARG 89 14.752 -0.067 -1.029 678 HD3 ARG 89 2HD ARG 89 16.355 -0.555 -0.512 679 HE ARG 89 HE ARG 89 15.469 0.191 -3.215 680 HH11 ARG 89 1HH1 ARG 89 18.131 -1.287 -1.392 681 HH12 ARG 89 2HH1 ARG 89 19.272 -0.986 -2.675 682 HH21 ARG 89 1HH2 ARG 89 16.994 0.529 -4.809 683 HH22 ARG 89 2HH2 ARG 89 18.635 0.015 -4.575 684 H ARG 90 H ARG 90 11.939 -4.599 0.444 685 HA ARG 90 HA ARG 90 11.467 -5.928 -2.210 686 HB2 ARG 90 1HB ARG 90 10.031 -6.126 0.473 687 HB3 ARG 90 2HB ARG 90 9.337 -6.708 -1.042 688 HG2 ARG 90 1HG ARG 90 11.252 -8.226 -1.366 689 HG3 ARG 90 2HG ARG 90 11.945 -7.704 0.181 690 HD2 ARG 90 1HD ARG 90 10.072 -8.587 1.423 691 HD3 ARG 90 2HD ARG 90 9.134 -8.874 -0.036 692 HE ARG 90 HE ARG 90 11.135 -10.627 1.122 693 HH11 ARG 90 1HH1 ARG 90 9.541 -9.917 -1.975 694 HH12 ARG 90 2HH1 ARG 90 10.175 -11.368 -2.697 695 HH21 ARG 90 1HH2 ARG 90 11.703 -12.428 0.277 696 HH22 ARG 90 2HH2 ARG 90 11.364 -12.866 -1.393 697 H LYS 91 H LYS 91 9.943 -5.059 -3.586 698 HA LYS 91 HA LYS 91 9.039 -2.338 -3.241 699 HB2 LYS 91 1HB LYS 91 8.652 -4.578 -5.215 700 HB3 LYS 91 2HB LYS 91 7.476 -3.292 -5.252 701 HG2 LYS 91 1HG LYS 91 10.471 -2.831 -5.486 702 HG3 LYS 91 2HG LYS 91 9.393 -3.040 -6.861 703 HD2 LYS 91 1HD LYS 91 9.253 -0.801 -4.811 704 HD3 LYS 91 2HD LYS 91 9.878 -0.662 -6.436 705 HE2 LYS 91 1HE LYS 91 6.976 -1.279 -5.714 706 HE3 LYS 91 2HE LYS 91 7.610 0.307 -6.127 707 HZ1 LYS 91 3HZ LYS 91 6.616 -0.743 -8.060 708 HZ2 LYS 91 1HZ LYS 91 8.213 -0.533 -8.318 709 HZ3 LYS 91 2HZ LYS 91 7.635 -2.021 -7.970 710 H ILE 92 H ILE 92 7.084 -1.445 -2.835 711 HA ILE 92 HA ILE 92 4.755 -3.198 -2.232 712 HB ILE 92 HB ILE 92 3.975 -1.734 -0.469 713 HG12 ILE 92 1HG1 ILE 92 6.653 -0.359 -0.616 714 HG13 ILE 92 2HG1 ILE 92 5.144 0.320 -1.250 715 HG21 ILE 92 1HG2 ILE 92 5.382 -3.733 0.065 716 HG22 ILE 92 2HG2 ILE 92 6.797 -2.671 0.185 717 HG23 ILE 92 3HG2 ILE 92 5.425 -2.470 1.296 718 HD11 ILE 92 3HD1 ILE 92 5.584 1.338 0.857 719 HD12 ILE 92 1HD1 ILE 92 4.232 0.207 1.107 720 HD13 ILE 92 2HD1 ILE 92 5.875 -0.221 1.646 721 H LYS 93 H LYS 93 2.681 -1.965 -2.406 722 HA LYS 93 HA LYS 93 2.676 0.451 -4.030 723 HB2 LYS 93 1HB LYS 93 1.584 -0.403 -5.987 724 HB3 LYS 93 2HB LYS 93 3.063 -1.330 -5.766 725 HG2 LYS 93 1HG LYS 93 1.803 -3.212 -4.842 726 HG3 LYS 93 2HG LYS 93 0.299 -2.279 -4.876 727 HD2 LYS 93 1HD LYS 93 0.353 -2.147 -7.304 728 HD3 LYS 93 2HD LYS 93 1.882 -3.059 -7.351 729 HE2 LYS 93 1HE LYS 93 0.842 -5.030 -6.444 730 HE3 LYS 93 2HE LYS 93 -0.617 -4.144 -5.980 731 HZ1 LYS 93 3HZ LYS 93 -0.879 -5.476 -8.031 732 HZ2 LYS 93 1HZ LYS 93 -1.232 -3.897 -8.232 733 HZ3 LYS 93 2HZ LYS 93 0.193 -4.510 -8.805 734 H ARG 94 H ARG 94 0.431 1.078 -4.648 735 HA ARG 94 HA ARG 94 -1.677 0.131 -2.751 736 HB2 ARG 94 1HB ARG 94 -1.026 2.917 -3.751 737 HB3 ARG 94 2HB ARG 94 -2.668 2.485 -3.255 738 HG2 ARG 94 1HG ARG 94 -1.999 1.918 -1.039 739 HG3 ARG 94 2HG ARG 94 -0.277 2.009 -1.426 740 HD2 ARG 94 1HD ARG 94 -2.087 4.434 -1.736 741 HD3 ARG 94 2HD ARG 94 -1.400 3.990 -0.171 742 HE ARG 94 HE ARG 94 0.679 4.019 -2.132 743 HH11 ARG 94 1HH1 ARG 94 -1.285 6.295 -0.266 744 HH12 ARG 94 2HH1 ARG 94 -0.057 7.519 -0.295 745 HH21 ARG 94 1HH2 ARG 94 2.220 5.639 -2.139 746 HH22 ARG 94 2HH2 ARG 94 1.902 7.152 -1.345 747 H ASP 95 H ASP 95 -3.557 -0.458 -3.634 748 HA ASP 95 HA ASP 95 -4.074 -0.209 -6.552 749 HB2 ASP 95 1HB ASP 95 -2.899 -2.508 -5.496 750 HB3 ASP 95 2HB ASP 95 -4.626 -2.884 -5.414 751 H ILE 96 H ILE 96 -6.269 -1.616 -6.881 752 HA ILE 96 HA ILE 96 -8.287 -0.540 -4.937 753 HB ILE 96 HB ILE 96 -8.414 -0.436 -7.960 754 HG12 ILE 96 1HG1 ILE 96 -6.802 1.230 -7.085 755 HG13 ILE 96 2HG1 ILE 96 -8.206 1.961 -7.839 756 HG21 ILE 96 1HG2 ILE 96 -10.660 -0.654 -7.098 757 HG22 ILE 96 2HG2 ILE 96 -10.346 0.491 -5.772 758 HG23 ILE 96 3HG2 ILE 96 -10.450 1.058 -7.457 759 HD11 ILE 96 3HD1 ILE 96 -7.437 3.043 -5.669 760 HD12 ILE 96 1HD1 ILE 96 -9.153 2.587 -5.744 761 HD13 ILE 96 2HD1 ILE 96 -8.020 1.578 -4.835 762 H ILE 97 H ILE 97 -9.944 -1.760 -4.496 763 HA ILE 97 HA ILE 97 -10.213 -4.493 -5.671 764 HB ILE 97 HB ILE 97 -11.700 -3.277 -3.335 765 HG12 ILE 97 1HG1 ILE 97 -10.260 -5.166 -2.155 766 HG13 ILE 97 2HG1 ILE 97 -9.131 -4.863 -3.468 767 HG21 ILE 97 1HG2 ILE 97 -13.001 -4.975 -4.368 768 HG22 ILE 97 2HG2 ILE 97 -11.614 -6.095 -4.433 769 HG23 ILE 97 3HG2 ILE 97 -12.340 -5.626 -2.873 770 HD11 ILE 97 3HD1 ILE 97 -8.984 -3.543 -1.184 771 HD12 ILE 97 1HD1 ILE 97 -8.687 -2.666 -2.704 772 HD13 ILE 97 2HD1 ILE 97 -10.250 -2.525 -1.854 773 H ASP 98 H ASP 98 -11.943 -5.101 -6.861 774 HA ASP 98 HA ASP 98 -13.770 -2.971 -7.797 775 HB2 ASP 98 1HB ASP 98 -12.346 -4.222 -9.411 776 HB3 ASP 98 2HB ASP 98 -13.177 -5.712 -8.966 777 H ILE 99 H ILE 99 -13.933 -5.903 -6.004 778 HA ILE 99 HA ILE 99 -15.484 -6.827 -4.672 779 HB ILE 99 HB ILE 99 -17.333 -4.555 -5.406 780 HG12 ILE 99 1HG1 ILE 99 -15.208 -3.771 -4.341 781 HG13 ILE 99 2HG1 ILE 99 -16.655 -3.423 -3.421 782 HG21 ILE 99 1HG2 ILE 99 -18.661 -6.332 -4.496 783 HG22 ILE 99 2HG2 ILE 99 -17.555 -6.536 -3.125 784 HG23 ILE 99 3HG2 ILE 99 -18.510 -5.052 -3.299 785 HD11 ILE 99 3HD1 ILE 99 -14.725 -4.170 -2.028 786 HD12 ILE 99 1HD1 ILE 99 -16.161 -5.179 -1.815 787 HD13 ILE 99 2HD1 ILE 99 -14.803 -5.764 -2.801 788 HA PRO 100 HA PRO 100 -17.640 -9.400 -7.661 789 HB2 PRO 100 1HB PRO 100 -18.341 -11.495 -6.081 790 HB3 PRO 100 2HB PRO 100 -16.634 -11.140 -6.476 791 HG2 PRO 100 1HG PRO 100 -18.178 -10.324 -3.985 792 HG3 PRO 100 2HG PRO 100 -16.583 -11.145 -4.070 793 HD2 PRO 100 1HD PRO 100 -16.828 -8.434 -3.780 794 HD3 PRO 100 2HD PRO 100 -15.503 -9.158 -4.729 795 H LYS 101 H LYS 101 -19.809 -10.465 -7.912 796 HA LYS 101 HA LYS 101 -21.928 -8.642 -7.429 797 HB2 LYS 101 1HB LYS 101 -23.392 -10.337 -8.368 798 HB3 LYS 101 2HB LYS 101 -21.909 -10.172 -9.306 799 HG2 LYS 101 1HG LYS 101 -21.015 -12.259 -8.321 800 HG3 LYS 101 2HG LYS 101 -22.413 -12.381 -7.252 801 HD2 LYS 101 1HD LYS 101 -22.687 -13.915 -9.113 802 HD3 LYS 101 2HD LYS 101 -23.921 -12.664 -9.150 803 HE2 LYS 101 1HE LYS 101 -23.209 -13.039 -11.402 804 HE3 LYS 101 2HE LYS 101 -22.627 -11.447 -10.920 805 HZ1 LYS 101 3HZ LYS 101 -20.924 -12.730 -12.085 806 HZ2 LYS 101 1HZ LYS 101 -20.426 -12.447 -10.559 807 HZ3 LYS 101 2HZ LYS 101 -20.986 -13.927 -10.977 808 H LYS 102 H LYS 102 -20.779 -11.160 -5.336 809 HA LYS 102 HA LYS 102 -22.994 -11.521 -3.591 810 HB2 LYS 102 1HB LYS 102 -20.874 -12.846 -3.744 811 HB3 LYS 102 2HB LYS 102 -20.016 -11.531 -2.931 812 HG2 LYS 102 1HG LYS 102 -21.440 -11.827 -0.927 813 HG3 LYS 102 2HG LYS 102 -22.359 -13.097 -1.744 814 HD2 LYS 102 1HD LYS 102 -19.375 -13.202 -1.103 815 HD3 LYS 102 2HD LYS 102 -20.656 -13.937 -0.129 816 HE2 LYS 102 1HE LYS 102 -21.328 -15.343 -2.081 817 HE3 LYS 102 2HE LYS 102 -19.998 -14.655 -3.024 818 HZ1 LYS 102 3HZ LYS 102 -19.373 -16.771 -2.032 819 HZ2 LYS 102 1HZ LYS 102 -18.451 -15.585 -1.393 820 HZ3 LYS 102 2HZ LYS 102 -19.681 -16.226 -0.525 821 H GLY 103 H GLY 103 -21.009 -8.695 -3.999 822 HA2 GLY 103 1HA GLY 103 -21.590 -7.377 -1.489 823 HA3 GLY 103 2HA GLY 103 -20.977 -6.638 -2.990 824 H VAL 104 H VAL 104 -23.648 -7.967 -4.151 825 HA VAL 104 HA VAL 104 -25.209 -5.658 -4.338 826 HB VAL 104 HB VAL 104 -25.426 -7.660 -5.769 827 HG11 VAL 104 1HG1 VAL 104 -25.579 -9.418 -3.961 828 HG12 VAL 104 2HG1 VAL 104 -27.229 -8.857 -3.620 829 HG13 VAL 104 3HG1 VAL 104 -26.832 -9.538 -5.205 830 HG21 VAL 104 3HG2 VAL 104 -27.792 -7.415 -6.239 831 HG22 VAL 104 1HG2 VAL 104 -28.088 -6.719 -4.635 832 HG23 VAL 104 2HG2 VAL 104 -27.096 -5.840 -5.822 833 H SER 105 H SER 105 -26.895 -4.734 -3.256 834 HA SER 105 HA SER 105 -27.789 -5.796 -0.619 835 HB2 SER 105 1HB SER 105 -26.418 -3.109 -1.058 836 HB3 SER 105 2HB SER 105 -27.241 -3.606 0.424 837 HG SER 105 HG SER 105 -24.928 -4.822 -0.733 838 H GLY 106 H GLY 106 -29.562 -4.550 0.320 839 HA2 GLY 106 1HA GLY 106 -31.589 -3.868 -1.650 840 HA3 GLY 106 2HA GLY 106 -31.768 -3.876 0.111 841 HA PRO 107 HA PRO 107 -31.634 0.468 -1.719 842 HB2 PRO 107 1HB PRO 107 -34.232 1.260 -1.487 843 HB3 PRO 107 2HB PRO 107 -33.663 0.207 -2.817 844 HG2 PRO 107 1HG PRO 107 -34.965 -0.644 -0.203 845 HG3 PRO 107 2HG PRO 107 -35.436 -1.112 -1.870 846 HD2 PRO 107 1HD PRO 107 -33.829 -2.691 -0.340 847 HD3 PRO 107 2HD PRO 107 -33.558 -2.527 -2.102 848 H SER 108 H SER 108 -32.332 -0.823 1.397 849 HA SER 108 HA SER 108 -33.076 1.440 2.876 850 HB2 SER 108 1HB SER 108 -31.396 -0.900 3.835 851 HB3 SER 108 2HB SER 108 -32.462 0.128 4.807 852 HG SER 108 HG SER 108 -33.471 -1.869 4.271 853 H SER 109 H SER 109 -30.099 1.135 1.309 854 HA SER 109 HA SER 109 -28.437 2.582 3.257 855 HB2 SER 109 1HB SER 109 -26.788 2.543 1.404 856 HB3 SER 109 2HB SER 109 -27.395 0.939 1.837 857 HG SER 109 HG SER 109 -27.339 1.270 -0.454 858 H GLY 110 H GLY 110 -30.865 3.548 1.056 859 HA2 GLY 110 1HA GLY 110 -30.504 6.351 1.571 860 HA3 GLY 110 2HA GLY 110 -29.911 5.974 -0.046 861 H5'1 ATP 201 H5" ATP 111 11.740 -14.361 5.367 862 H5'2 ATP 201 H5' ATP 111 11.649 -12.865 6.294 863 H4' ATP 201 H4' ATP 111 9.811 -14.363 6.860 864 H3' ATP 201 H3' ATP 111 9.718 -15.172 4.225 865 HO3' ATP 201 H3T ATP 111 7.448 -15.804 4.886 866 H2' ATP 201 H2' ATP 111 8.876 -13.140 3.368 867 HO2' ATP 201 2HO ATP 111 6.633 -13.447 2.923 868 H1' ATP 201 H1' ATP 111 6.987 -12.964 5.728 869 H8 ATP 201 8H ATP 111 9.477 -10.726 3.684 870 HN61 ATP 201 2H6 ATP 111 6.271 -6.892 3.303 871 HN62 ATP 201 1H6 ATP 111 4.540 -6.855 3.676 872 H2 ATP 201 2H ATP 111 3.583 -10.138 6.190 Start of MODEL 12 1 HA PRO 1 HA PRO 1 19.995 12.306 6.211 2 HB2 PRO 1 1HB PRO 1 22.364 10.560 5.544 3 HB3 PRO 1 2HB PRO 1 22.200 11.827 6.795 4 HG2 PRO 1 1HG PRO 1 21.723 8.978 7.059 5 HG3 PRO 1 2HG PRO 1 21.428 10.222 8.309 6 HD2 PRO 1 1HD PRO 1 19.392 8.769 7.125 7 HD3 PRO 1 2HD PRO 1 19.200 10.412 7.781 8 H SER 2 H SER 2 21.586 13.623 4.903 9 HA SER 2 HA SER 2 22.273 14.705 3.047 10 HB2 SER 2 1HB SER 2 21.700 12.194 1.438 11 HB3 SER 2 2HB SER 2 22.577 13.620 0.896 12 HG SER 2 HG SER 2 23.336 11.880 3.033 13 H SER 3 H SER 3 21.576 15.881 1.155 14 HA SER 3 HA SER 3 18.811 16.660 1.344 15 HB2 SER 3 1HB SER 3 20.941 17.475 -0.668 16 HB3 SER 3 2HB SER 3 19.421 18.324 -0.339 17 HG SER 3 HG SER 3 21.205 19.264 0.788 18 H GLY 4 H GLY 4 17.267 16.838 -0.372 19 HA2 GLY 4 1HA GLY 4 16.326 16.427 -2.461 20 HA3 GLY 4 2HA GLY 4 17.617 15.269 -2.848 21 H SER 5 H SER 5 16.607 14.276 0.072 22 HA SER 5 HA SER 5 15.196 12.778 1.010 23 HB2 SER 5 1HB SER 5 13.222 13.642 -1.124 24 HB3 SER 5 2HB SER 5 12.847 12.798 0.383 25 HG SER 5 HG SER 5 12.542 15.093 0.538 26 H SER 6 H SER 6 16.074 12.120 -2.220 27 HA SER 6 HA SER 6 16.696 10.190 -3.229 28 HB2 SER 6 1HB SER 6 17.257 9.576 -0.786 29 HB3 SER 6 2HB SER 6 15.823 8.537 -0.862 30 HG SER 6 HG SER 6 17.785 7.444 -1.452 31 H GLY 7 H GLY 7 13.443 10.329 -1.991 32 HA2 GLY 7 1HA GLY 7 12.285 8.065 -3.244 33 HA3 GLY 7 2HA GLY 7 11.414 9.522 -2.750 34 H PHE 8 H PHE 8 10.708 7.951 -4.922 35 HA PHE 8 HA PHE 8 11.785 9.002 -7.403 36 HB2 PHE 8 1HB PHE 8 9.371 7.230 -6.881 37 HB3 PHE 8 2HB PHE 8 10.108 7.522 -8.448 38 HD1 PHE 8 1HD PHE 8 12.798 7.077 -8.484 39 HD2 PHE 8 2HD PHE 8 9.956 5.191 -5.841 40 HE1 PHE 8 1HE PHE 8 14.364 5.183 -8.149 41 HE2 PHE 8 2HE PHE 8 11.527 3.295 -5.518 42 HZ PHE 8 HZ PHE 8 13.732 3.290 -6.663 43 H LEU 9 H LEU 9 10.662 10.061 -9.057 44 HA LEU 9 HA LEU 9 8.818 12.190 -8.168 45 HB2 LEU 9 1HB LEU 9 10.508 11.657 -10.636 46 HB3 LEU 9 2HB LEU 9 9.184 12.804 -10.695 47 HG LEU 9 HG LEU 9 10.165 14.135 -8.878 48 HD11 LEU 9 1HD1 LEU 9 11.502 12.520 -7.626 49 HD12 LEU 9 2HD1 LEU 9 12.515 12.193 -9.054 50 HD13 LEU 9 3HD1 LEU 9 12.568 13.777 -8.250 51 HD21 LEU 9 3HD2 LEU 9 12.007 15.076 -10.223 52 HD22 LEU 9 1HD2 LEU 9 12.058 13.599 -11.211 53 HD23 LEU 9 2HD2 LEU 9 10.627 14.654 -11.247 54 H ASP 10 H ASP 10 6.925 12.733 -9.383 55 HA ASP 10 HA ASP 10 5.132 10.514 -9.835 56 HB2 ASP 10 1HB ASP 10 4.855 13.485 -10.399 57 HB3 ASP 10 2HB ASP 10 3.554 12.310 -10.554 58 H LYS 11 H LYS 11 4.454 9.544 -11.664 59 HA LYS 11 HA LYS 11 5.854 10.174 -14.188 60 HB2 LYS 11 1HB LYS 11 4.655 7.679 -12.945 61 HB3 LYS 11 2HB LYS 11 4.930 7.751 -14.670 62 HG2 LYS 11 1HG LYS 11 7.340 8.743 -13.495 63 HG3 LYS 11 2HG LYS 11 6.867 7.363 -12.507 64 HD2 LYS 11 1HD LYS 11 7.180 7.368 -15.545 65 HD3 LYS 11 2HD LYS 11 8.397 6.794 -14.393 66 HE2 LYS 11 1HE LYS 11 6.806 5.076 -13.546 67 HE3 LYS 11 2HE LYS 11 5.592 5.618 -14.711 68 HZ1 LYS 11 3HZ LYS 11 6.810 3.696 -15.537 69 HZ2 LYS 11 1HZ LYS 11 7.118 4.980 -16.499 70 HZ3 LYS 11 2HZ LYS 11 8.240 4.476 -15.419 71 HA PRO 12 HA PRO 12 2.275 11.466 -16.337 72 HB2 PRO 12 1HB PRO 12 2.834 10.816 -18.930 73 HB3 PRO 12 2HB PRO 12 3.784 11.999 -18.003 74 HG2 PRO 12 1HG PRO 12 4.389 9.060 -18.487 75 HG3 PRO 12 2HG PRO 12 5.496 10.458 -18.682 76 HD2 PRO 12 1HD PRO 12 5.425 8.884 -16.422 77 HD3 PRO 12 2HD PRO 12 5.853 10.604 -16.363 78 H THR 13 H THR 13 0.694 10.756 -18.123 79 HA THR 13 HA THR 13 -0.082 7.978 -18.267 80 HB THR 13 HB THR 13 -0.929 8.630 -16.008 81 HG1 THR 13 1HG THR 13 -2.103 7.071 -16.890 82 HG21 THR 13 3HG2 THR 13 -2.674 10.200 -15.724 83 HG22 THR 13 1HG2 THR 13 -1.438 11.055 -16.643 84 HG23 THR 13 2HG2 THR 13 -2.884 10.438 -17.474 85 H LEU 14 H LEU 14 -2.011 7.717 -19.541 86 HA LEU 14 HA LEU 14 -2.126 9.643 -21.819 87 HB2 LEU 14 1HB LEU 14 -3.139 6.797 -21.462 88 HB3 LEU 14 2HB LEU 14 -3.152 7.683 -22.975 89 HG LEU 14 HG LEU 14 -0.451 7.395 -21.640 90 HD11 LEU 14 1HD1 LEU 14 -1.475 5.221 -21.240 91 HD12 LEU 14 2HD1 LEU 14 -1.895 5.071 -22.963 92 HD13 LEU 14 3HD1 LEU 14 -0.185 5.102 -22.458 93 HD21 LEU 14 3HD2 LEU 14 0.297 7.117 -23.948 94 HD22 LEU 14 1HD2 LEU 14 -1.383 7.083 -24.525 95 HD23 LEU 14 2HD2 LEU 14 -0.716 8.567 -23.808 96 H LEU 15 H LEU 15 -3.908 8.573 -19.093 97 HA LEU 15 HA LEU 15 -6.577 9.084 -20.152 98 HB2 LEU 15 1HB LEU 15 -5.837 8.694 -17.240 99 HB3 LEU 15 2HB LEU 15 -7.384 8.417 -18.019 100 HG LEU 15 HG LEU 15 -4.858 6.742 -18.309 101 HD11 LEU 15 1HD1 LEU 15 -6.145 6.462 -16.208 102 HD12 LEU 15 2HD1 LEU 15 -7.607 6.103 -17.155 103 HD13 LEU 15 3HD1 LEU 15 -6.209 5.008 -17.219 104 HD21 LEU 15 3HD2 LEU 15 -6.240 5.191 -19.691 105 HD22 LEU 15 1HD2 LEU 15 -7.539 6.404 -19.730 106 HD23 LEU 15 2HD2 LEU 15 -5.967 6.739 -20.494 107 H SER 16 H SER 16 -8.033 10.242 -18.406 108 HA SER 16 HA SER 16 -7.292 13.114 -18.408 109 HB2 SER 16 1HB SER 16 -9.816 11.474 -18.586 110 HB3 SER 16 2HB SER 16 -9.900 13.107 -18.032 111 HG SER 16 HG SER 16 -10.164 12.929 -20.345 112 HA PRO 17 HA PRO 17 -7.262 13.444 -14.002 113 HB2 PRO 17 1HB PRO 17 -8.667 15.755 -13.502 114 HB3 PRO 17 2HB PRO 17 -7.033 15.717 -14.230 115 HG2 PRO 17 1HG PRO 17 -9.702 15.909 -15.668 116 HG3 PRO 17 2HG PRO 17 -8.231 16.909 -15.920 117 HD2 PRO 17 1HD PRO 17 -8.770 14.818 -17.529 118 HD3 PRO 17 2HD PRO 17 -7.094 15.162 -17.003 119 H GLU 18 H GLU 18 -10.393 13.413 -15.605 120 HA GLU 18 HA GLU 18 -11.842 12.698 -13.157 121 HB2 GLU 18 1HB GLU 18 -13.822 12.660 -14.564 122 HB3 GLU 18 2HB GLU 18 -12.911 14.153 -14.767 123 HG2 GLU 18 1HG GLU 18 -11.962 13.303 -16.897 124 HG3 GLU 18 2HG GLU 18 -12.854 11.790 -16.699 125 H GLU 19 H GLU 19 -9.969 10.886 -15.349 126 HA GLU 19 HA GLU 19 -11.477 8.358 -15.025 127 HB2 GLU 19 1HB GLU 19 -8.932 9.168 -16.456 128 HB3 GLU 19 2HB GLU 19 -9.341 7.493 -16.204 129 HG2 GLU 19 1HG GLU 19 -11.047 9.531 -17.694 130 HG3 GLU 19 2HG GLU 19 -9.953 8.367 -18.437 131 H LEU 20 H LEU 20 -8.295 9.711 -14.299 132 HA LEU 20 HA LEU 20 -7.188 7.612 -12.765 133 HB2 LEU 20 1HB LEU 20 -6.713 10.607 -12.514 134 HB3 LEU 20 2HB LEU 20 -5.589 9.364 -11.999 135 HG LEU 20 HG LEU 20 -6.423 9.465 -14.922 136 HD11 LEU 20 1HD1 LEU 20 -5.888 11.756 -14.172 137 HD12 LEU 20 2HD1 LEU 20 -4.267 11.205 -13.694 138 HD13 LEU 20 3HD1 LEU 20 -4.777 11.129 -15.407 139 HD21 LEU 20 3HD2 LEU 20 -4.234 8.521 -15.301 140 HD22 LEU 20 1HD2 LEU 20 -3.790 8.718 -13.594 141 HD23 LEU 20 2HD2 LEU 20 -5.056 7.559 -14.064 142 H LYS 21 H LYS 21 -8.802 10.596 -11.644 143 HA LYS 21 HA LYS 21 -8.916 9.850 -8.857 144 HB2 LYS 21 1HB LYS 21 -10.415 11.828 -10.577 145 HB3 LYS 21 2HB LYS 21 -10.989 11.489 -8.956 146 HG2 LYS 21 1HG LYS 21 -9.529 13.475 -9.073 147 HG3 LYS 21 2HG LYS 21 -9.007 12.252 -7.914 148 HD2 LYS 21 1HD LYS 21 -7.173 11.553 -9.342 149 HD3 LYS 21 2HD LYS 21 -7.805 12.493 -10.692 150 HE2 LYS 21 1HE LYS 21 -5.940 13.691 -9.782 151 HE3 LYS 21 2HE LYS 21 -7.410 14.598 -9.429 152 HZ1 LYS 21 3HZ LYS 21 -5.936 14.469 -7.504 153 HZ2 LYS 21 1HZ LYS 21 -7.336 13.705 -7.163 154 HZ3 LYS 21 2HZ LYS 21 -5.987 12.839 -7.501 155 H ALA 22 H ALA 22 -11.185 9.078 -11.523 156 HA ALA 22 HA ALA 22 -13.218 7.991 -9.779 157 HB1 ALA 22 1HB ALA 22 -13.785 8.829 -11.980 158 HB2 ALA 22 2HB ALA 22 -12.746 7.608 -12.761 159 HB3 ALA 22 3HB ALA 22 -14.200 7.115 -11.871 160 H ALA 23 H ALA 23 -10.297 6.521 -11.143 161 HA ALA 23 HA ALA 23 -10.874 3.792 -10.645 162 HB1 ALA 23 1HB ALA 23 -8.801 4.719 -11.750 163 HB2 ALA 23 2HB ALA 23 -8.248 5.244 -10.131 164 HB3 ALA 23 3HB ALA 23 -8.460 3.525 -10.472 165 H SER 24 H SER 24 -10.227 6.372 -8.345 166 HA SER 24 HA SER 24 -10.175 4.447 -6.075 167 HB2 SER 24 1HB SER 24 -8.395 6.126 -6.159 168 HB3 SER 24 2HB SER 24 -9.599 7.427 -6.164 169 HG SER 24 HG SER 24 -8.763 6.995 -4.049 170 H ARG 25 H ARG 25 -11.811 7.521 -6.979 171 HA ARG 25 HA ARG 25 -13.716 7.486 -4.899 172 HB2 ARG 25 1HB ARG 25 -13.554 8.944 -7.563 173 HB3 ARG 25 2HB ARG 25 -14.734 9.289 -6.330 174 HG2 ARG 25 1HG ARG 25 -11.717 9.609 -6.123 175 HG3 ARG 25 2HG ARG 25 -12.921 10.886 -6.218 176 HD2 ARG 25 1HD ARG 25 -12.496 8.969 -3.899 177 HD3 ARG 25 2HD ARG 25 -12.059 10.677 -3.973 178 HE ARG 25 HE ARG 25 -14.726 10.801 -4.464 179 HH11 ARG 25 1HH1 ARG 25 -12.942 9.272 -1.818 180 HH12 ARG 25 2HH1 ARG 25 -14.274 9.425 -0.713 181 HH21 ARG 25 1HH2 ARG 25 -16.406 10.957 -2.991 182 HH22 ARG 25 2HH2 ARG 25 -16.201 10.376 -1.368 183 H GLY 26 H GLY 26 -13.795 5.705 -7.843 184 HA2 GLY 26 1HA GLY 26 -16.617 5.474 -8.268 185 HA3 GLY 26 2HA GLY 26 -15.359 4.344 -8.822 186 H ASN 27 H ASN 27 -14.624 4.029 -5.810 187 HA ASN 27 HA ASN 27 -17.065 2.800 -4.716 188 HB2 ASN 27 1HB ASN 27 -16.032 0.951 -5.985 189 HB3 ASN 27 2HB ASN 27 -14.530 1.166 -5.085 190 HD21 ASN 27 2HD2 ASN 27 -14.387 -0.625 -3.757 191 HD22 ASN 27 1HD2 ASN 27 -15.600 -0.983 -2.530 192 H GLY 28 H GLY 28 -13.641 3.755 -4.084 193 HA2 GLY 28 1HA GLY 28 -12.960 5.105 -2.329 194 HA3 GLY 28 2HA GLY 28 -14.526 4.886 -1.512 195 H GLU 29 H GLU 29 -13.109 1.947 -2.414 196 HA GLU 29 HA GLU 29 -12.256 1.176 0.295 197 HB2 GLU 29 1HB GLU 29 -13.096 -0.149 -2.124 198 HB3 GLU 29 2HB GLU 29 -11.485 -0.655 -1.767 199 HG2 GLU 29 1HG GLU 29 -13.008 -2.188 -0.653 200 HG3 GLU 29 2HG GLU 29 -12.248 -1.216 0.600 201 H TYR 30 H TYR 30 -10.093 -0.241 0.148 202 HA TYR 30 HA TYR 30 -7.928 0.744 -1.450 203 HB2 TYR 30 1HB TYR 30 -6.648 1.894 0.229 204 HB3 TYR 30 2HB TYR 30 -8.190 2.699 0.039 205 HD1 TYR 30 2HD TYR 30 -10.073 2.093 1.735 206 HD2 TYR 30 1HD TYR 30 -5.940 1.035 2.328 207 HE1 TYR 30 2HE TYR 30 -10.504 1.790 4.181 208 HE2 TYR 30 1HE TYR 30 -6.366 0.687 4.761 209 HH TYR 30 HH TYR 30 -9.601 1.219 6.224 210 H ALA 31 H ALA 31 -6.028 -0.344 -1.164 211 HA ALA 31 HA ALA 31 -5.618 -2.286 1.003 212 HB1 ALA 31 1HB ALA 31 -6.864 -3.711 -0.434 213 HB2 ALA 31 2HB ALA 31 -6.135 -3.046 -1.904 214 HB3 ALA 31 3HB ALA 31 -5.183 -4.086 -0.810 215 H TRP 32 H TRP 32 -3.484 -3.122 1.022 216 HA TRP 32 HA TRP 32 -1.466 -1.656 -0.624 217 HB2 TRP 32 1HB TRP 32 -1.360 -2.421 2.313 218 HB3 TRP 32 2HB TRP 32 0.068 -2.069 1.358 219 HD1 TRP 32 HD TRP 32 -3.229 -0.203 2.182 220 HE1 TRP 32 1HE TRP 32 -2.737 2.300 2.352 221 HE3 TRP 32 3HE TRP 32 1.794 -0.294 1.108 222 HZ2 TRP 32 2HZ TRP 32 -0.393 4.006 2.361 223 HZ3 TRP 32 3HZ TRP 32 3.110 1.804 1.201 224 HH2 TRP 32 HH TRP 32 2.034 3.949 1.823 225 H TYR 33 H TYR 33 0.232 -2.839 -1.387 226 HA TYR 33 HA TYR 33 0.201 -5.796 -1.021 227 HB2 TYR 33 1HB TYR 33 0.222 -4.293 -3.663 228 HB3 TYR 33 2HB TYR 33 0.610 -5.993 -3.497 229 HD1 TYR 33 2HD TYR 33 -2.162 -3.515 -3.026 230 HD2 TYR 33 1HD TYR 33 -1.053 -7.645 -3.618 231 HE1 TYR 33 2HE TYR 33 -4.554 -4.106 -3.347 232 HE2 TYR 33 1HE TYR 33 -3.452 -8.239 -3.920 233 HH TYR 33 HH TYR 33 -6.056 -5.768 -3.856 234 H TYR 34 H TYR 34 2.159 -6.854 -1.524 235 HA TYR 34 HA TYR 34 4.576 -5.189 -2.018 236 HB2 TYR 34 1HB TYR 34 5.803 -6.321 -0.316 237 HB3 TYR 34 2HB TYR 34 4.393 -5.573 0.406 238 HD1 TYR 34 2HD TYR 34 2.422 -7.013 1.108 239 HD2 TYR 34 1HD TYR 34 6.168 -8.700 -0.199 240 HE1 TYR 34 2HE TYR 34 1.799 -9.185 2.142 241 HE2 TYR 34 1HE TYR 34 5.556 -10.873 0.836 242 HH TYR 34 HH TYR 34 3.967 -12.049 2.021 243 H GLU 35 H GLU 35 6.274 -6.269 -3.138 244 HA GLU 35 HA GLU 35 5.435 -8.645 -4.673 245 HB2 GLU 35 1HB GLU 35 8.019 -7.043 -4.736 246 HB3 GLU 35 2HB GLU 35 7.672 -8.475 -5.719 247 HG2 GLU 35 1HG GLU 35 5.544 -7.206 -6.495 248 HG3 GLU 35 2HG GLU 35 6.330 -5.769 -5.828 249 H GLY 36 H GLY 36 5.426 -10.507 -3.674 250 HA2 GLY 36 1HA GLY 36 7.547 -11.357 -1.752 251 HA3 GLY 36 2HA GLY 36 6.037 -12.199 -2.124 252 H ARG 37 H ARG 37 7.139 -14.150 -2.434 253 HA ARG 37 HA ARG 37 9.354 -14.558 -4.162 254 HB2 ARG 37 1HB ARG 37 8.604 -16.085 -2.361 255 HB3 ARG 37 2HB ARG 37 7.170 -16.501 -3.308 256 HG2 ARG 37 1HG ARG 37 8.658 -17.444 -5.096 257 HG3 ARG 37 2HG ARG 37 10.069 -17.008 -4.125 258 HD2 ARG 37 1HD ARG 37 9.600 -19.370 -3.822 259 HD3 ARG 37 2HD ARG 37 9.284 -18.519 -2.316 260 HE ARG 37 HE ARG 37 7.055 -19.085 -2.442 261 HH11 ARG 37 1HH1 ARG 37 8.428 -19.750 -5.638 262 HH12 ARG 37 2HH1 ARG 37 6.982 -20.540 -6.191 263 HH21 ARG 37 1HH2 ARG 37 5.225 -20.100 -3.224 264 HH22 ARG 37 2HH2 ARG 37 5.199 -20.736 -4.841 265 H ASN 38 H ASN 38 5.869 -14.881 -4.820 266 HA ASN 38 HA ASN 38 6.450 -15.556 -7.654 267 HB2 ASN 38 1HB ASN 38 5.308 -17.180 -6.120 268 HB3 ASN 38 2HB ASN 38 3.936 -16.086 -6.060 269 HD21 ASN 38 2HD2 ASN 38 2.319 -17.028 -7.334 270 HD22 ASN 38 1HD2 ASN 38 2.604 -17.697 -8.928 271 H GLY 39 H GLY 39 5.067 -12.946 -5.890 272 HA2 GLY 39 1HA GLY 39 4.808 -11.132 -7.946 273 HA3 GLY 39 2HA GLY 39 3.263 -11.961 -7.970 274 H TRP 40 H TRP 40 2.387 -9.792 -7.465 275 HA TRP 40 HA TRP 40 2.783 -8.536 -4.929 276 HB2 TRP 40 1HB TRP 40 0.465 -8.452 -6.892 277 HB3 TRP 40 2HB TRP 40 0.659 -7.380 -5.513 278 HD1 TRP 40 HD TRP 40 1.654 -7.764 -9.072 279 HE1 TRP 40 1HE TRP 40 3.251 -5.912 -9.795 280 HE3 TRP 40 3HE TRP 40 2.752 -5.818 -4.472 281 HZ2 TRP 40 2HZ TRP 40 4.686 -3.708 -8.546 282 HZ3 TRP 40 3HZ TRP 40 4.228 -3.843 -4.267 283 HH2 TRP 40 HH TRP 40 5.178 -2.760 -6.284 284 H TRP 41 H TRP 41 2.035 -9.006 -2.987 285 HA TRP 41 HA TRP 41 -0.418 -10.676 -2.630 286 HB2 TRP 41 1HB TRP 41 2.177 -10.805 -1.045 287 HB3 TRP 41 2HB TRP 41 0.698 -11.687 -0.661 288 HD1 TRP 41 HD TRP 41 3.852 -12.237 -2.291 289 HE1 TRP 41 1HE TRP 41 3.813 -14.113 -4.054 290 HE3 TRP 41 3HE TRP 41 -1.211 -12.830 -2.714 291 HZ2 TRP 41 2HZ TRP 41 1.824 -15.505 -5.611 292 HZ3 TRP 41 3HZ TRP 41 -2.154 -14.374 -4.381 293 HH2 TRP 41 HH TRP 41 -0.658 -15.730 -5.846 294 H GLN 42 H GLN 42 -1.793 -10.056 -0.980 295 HA GLN 42 HA GLN 42 -1.653 -7.201 -0.397 296 HB2 GLN 42 1HB GLN 42 -3.696 -8.557 -1.207 297 HB3 GLN 42 2HB GLN 42 -3.821 -9.151 0.453 298 HG2 GLN 42 1HG GLN 42 -3.952 -6.718 1.206 299 HG3 GLN 42 2HG GLN 42 -3.974 -6.253 -0.495 300 HE21 GLN 42 2HE2 GLN 42 -5.913 -6.919 -1.813 301 HE22 GLN 42 1HE2 GLN 42 -7.398 -7.295 -0.954 302 H TYR 43 H TYR 43 -1.397 -6.209 1.565 303 HA TYR 43 HA TYR 43 -0.346 -7.626 3.877 304 HB2 TYR 43 1HB TYR 43 -1.251 -4.797 3.298 305 HB3 TYR 43 2HB TYR 43 -0.844 -5.297 4.932 306 HD1 TYR 43 1HD TYR 43 1.461 -6.045 5.514 307 HD2 TYR 43 2HD TYR 43 0.494 -4.377 1.671 308 HE1 TYR 43 1HE TYR 43 3.858 -5.549 5.129 309 HE2 TYR 43 2HE TYR 43 2.891 -3.856 1.276 310 HH TYR 43 HH TYR 43 5.429 -4.769 3.632 311 H ASP 44 H ASP 44 -1.301 -7.797 5.955 312 HA ASP 44 HA ASP 44 -4.075 -8.577 6.094 313 HB2 ASP 44 1HB ASP 44 -2.327 -9.502 7.539 314 HB3 ASP 44 2HB ASP 44 -2.051 -7.923 8.275 315 H GLU 45 H GLU 45 -5.782 -7.554 7.303 316 HA GLU 45 HA GLU 45 -6.072 -4.781 6.587 317 HB2 GLU 45 1HB GLU 45 -8.240 -4.902 7.738 318 HB3 GLU 45 2HB GLU 45 -8.017 -6.173 6.544 319 HG2 GLU 45 1HG GLU 45 -7.938 -7.868 8.121 320 HG3 GLU 45 2HG GLU 45 -7.310 -6.841 9.396 321 H ARG 46 H ARG 46 -4.929 -6.268 9.567 322 HA ARG 46 HA ARG 46 -5.259 -3.781 11.116 323 HB2 ARG 46 1HB ARG 46 -3.631 -6.221 11.855 324 HB3 ARG 46 2HB ARG 46 -4.237 -4.957 12.922 325 HG2 ARG 46 1HG ARG 46 -5.706 -7.274 11.688 326 HG3 ARG 46 2HG ARG 46 -5.631 -6.781 13.368 327 HD2 ARG 46 1HD ARG 46 -7.207 -5.440 11.137 328 HD3 ARG 46 2HD ARG 46 -7.859 -6.466 12.412 329 HE ARG 46 HE ARG 46 -6.585 -4.400 13.764 330 HH11 ARG 46 1HH1 ARG 46 -9.234 -4.629 11.398 331 HH12 ARG 46 2HH1 ARG 46 -9.979 -3.163 11.978 332 HH21 ARG 46 1HH2 ARG 46 -7.619 -2.518 14.450 333 HH22 ARG 46 2HH2 ARG 46 -9.088 -1.996 13.683 334 H THR 47 H THR 47 -2.952 -5.101 8.927 335 HA THR 47 HA THR 47 -0.729 -3.380 9.870 336 HB THR 47 HB THR 47 -0.814 -5.465 7.655 337 HG1 THR 47 1HG THR 47 0.350 -6.643 9.263 338 HG21 THR 47 3HG2 THR 47 1.701 -5.324 7.932 339 HG22 THR 47 1HG2 THR 47 0.976 -3.863 7.231 340 HG23 THR 47 2HG2 THR 47 1.451 -3.875 8.939 341 H SER 48 H SER 48 -2.642 -3.896 6.834 342 HA SER 48 HA SER 48 -1.372 -1.813 5.370 343 HB2 SER 48 1HB SER 48 -3.249 -1.985 3.843 344 HB3 SER 48 2HB SER 48 -2.699 -3.591 4.340 345 HG SER 48 HG SER 48 -4.992 -3.437 4.407 346 H ARG 49 H ARG 49 -4.079 -1.659 7.642 347 HA ARG 49 HA ARG 49 -4.884 1.003 7.074 348 HB2 ARG 49 1HB ARG 49 -6.123 0.910 9.075 349 HB3 ARG 49 2HB ARG 49 -6.137 -0.693 8.373 350 HG2 ARG 49 1HG ARG 49 -5.784 -1.194 10.596 351 HG3 ARG 49 2HG ARG 49 -4.159 -1.240 9.954 352 HD2 ARG 49 1HD ARG 49 -4.322 -0.136 12.198 353 HD3 ARG 49 2HD ARG 49 -3.621 0.874 10.972 354 HE ARG 49 HE ARG 49 -6.526 1.171 11.489 355 HH11 ARG 49 1HH1 ARG 49 -3.312 2.585 12.087 356 HH12 ARG 49 2HH1 ARG 49 -3.950 4.217 11.868 357 HH21 ARG 49 1HH2 ARG 49 -7.213 3.357 11.385 358 HH22 ARG 49 2HH2 ARG 49 -6.002 4.616 11.539 359 H GLU 50 H GLU 50 -2.026 -0.167 8.755 360 HA GLU 50 HA GLU 50 -1.524 2.359 10.173 361 HB2 GLU 50 1HB GLU 50 0.370 0.048 9.566 362 HB3 GLU 50 2HB GLU 50 0.699 1.380 10.655 363 HG2 GLU 50 1HG GLU 50 -1.624 -0.542 11.097 364 HG3 GLU 50 2HG GLU 50 0.003 -0.846 11.685 365 H LEU 51 H LEU 51 -0.452 0.725 7.215 366 HA LEU 51 HA LEU 51 1.444 2.667 6.279 367 HB2 LEU 51 1HB LEU 51 -0.248 0.747 4.628 368 HB3 LEU 51 2HB LEU 51 1.324 1.421 4.216 369 HG LEU 51 HG LEU 51 0.783 -0.613 6.425 370 HD11 LEU 51 1HD1 LEU 51 0.490 -1.512 4.153 371 HD12 LEU 51 2HD1 LEU 51 2.134 -0.978 3.731 372 HD13 LEU 51 3HD1 LEU 51 1.883 -2.214 4.987 373 HD21 LEU 51 3HD2 LEU 51 3.267 -0.810 6.489 374 HD22 LEU 51 1HD2 LEU 51 3.376 0.597 5.408 375 HD23 LEU 51 2HD2 LEU 51 2.685 0.762 7.040 376 H GLU 52 H GLU 52 -2.005 2.113 5.555 377 HA GLU 52 HA GLU 52 -2.447 4.298 3.834 378 HB2 GLU 52 1HB GLU 52 -3.957 2.292 4.324 379 HB3 GLU 52 2HB GLU 52 -4.401 3.087 5.827 380 HG2 GLU 52 1HG GLU 52 -6.136 3.551 4.305 381 HG3 GLU 52 2HG GLU 52 -5.253 5.049 4.458 382 H ASP 53 H ASP 53 -2.210 4.273 7.393 383 HA ASP 53 HA ASP 53 -3.390 6.958 7.659 384 HB2 ASP 53 1HB ASP 53 -2.425 4.801 9.510 385 HB3 ASP 53 2HB ASP 53 -2.202 6.441 10.056 386 H ALA 54 H ALA 54 -0.177 5.528 7.359 387 HA ALA 54 HA ALA 54 1.278 7.677 8.522 388 HB1 ALA 54 1HB ALA 54 2.177 5.490 8.378 389 HB2 ALA 54 2HB ALA 54 2.009 5.438 6.615 390 HB3 ALA 54 3HB ALA 54 3.210 6.527 7.355 391 H PHE 55 H PHE 55 0.591 7.095 5.015 392 HA PHE 55 HA PHE 55 1.893 9.570 4.244 393 HB2 PHE 55 1HB PHE 55 1.386 9.071 2.095 394 HB3 PHE 55 2HB PHE 55 1.387 7.463 2.781 395 HD1 PHE 55 1HD PHE 55 -0.805 6.284 3.221 396 HD2 PHE 55 2HD PHE 55 -0.579 10.049 1.142 397 HE1 PHE 55 1HE PHE 55 -3.067 5.906 2.273 398 HE2 PHE 55 2HE PHE 55 -2.846 9.665 0.193 399 HZ PHE 55 HZ PHE 55 -4.091 7.583 0.757 400 H SER 56 H SER 56 -1.131 8.850 5.613 401 HA SER 56 HA SER 56 -2.489 11.353 4.817 402 HB2 SER 56 1HB SER 56 -3.593 9.073 5.253 403 HB3 SER 56 2HB SER 56 -3.356 9.410 6.973 404 HG SER 56 HG SER 56 -5.426 10.114 6.188 405 H LYS 57 H LYS 57 -0.682 10.116 7.635 406 HA LYS 57 HA LYS 57 -1.143 12.407 9.369 407 HB2 LYS 57 1HB LYS 57 0.861 10.128 9.270 408 HB3 LYS 57 2HB LYS 57 0.950 11.395 10.495 409 HG2 LYS 57 1HG LYS 57 -1.009 10.737 11.576 410 HG3 LYS 57 2HG LYS 57 -1.661 9.912 10.157 411 HD2 LYS 57 1HD LYS 57 -0.916 8.272 11.850 412 HD3 LYS 57 2HD LYS 57 -0.041 8.132 10.339 413 HE2 LYS 57 1HE LYS 57 1.721 7.953 11.780 414 HE3 LYS 57 2HE LYS 57 1.762 9.678 11.471 415 HZ1 LYS 57 3HZ LYS 57 1.892 9.255 13.853 416 HZ2 LYS 57 1HZ LYS 57 0.491 10.029 13.535 417 HZ3 LYS 57 2HZ LYS 57 0.487 8.424 13.844 418 H GLY 58 H GLY 58 1.487 11.438 7.146 419 HA2 GLY 58 1HA GLY 58 2.427 13.306 5.771 420 HA3 GLY 58 2HA GLY 58 2.657 14.207 7.287 421 H LYS 59 H LYS 59 3.360 11.059 8.159 422 HA LYS 59 HA LYS 59 6.202 11.526 8.030 423 HB2 LYS 59 1HB LYS 59 6.346 9.134 8.861 424 HB3 LYS 59 2HB LYS 59 5.530 10.287 9.897 425 HG2 LYS 59 1HG LYS 59 3.372 9.423 9.415 426 HG3 LYS 59 2HG LYS 59 3.967 8.564 7.989 427 HD2 LYS 59 1HD LYS 59 3.502 7.035 9.869 428 HD3 LYS 59 2HD LYS 59 5.178 6.988 9.346 429 HE2 LYS 59 1HE LYS 59 5.799 8.489 11.262 430 HE3 LYS 59 2HE LYS 59 4.122 8.429 11.815 431 HZ1 LYS 59 3HZ LYS 59 5.427 6.780 12.977 432 HZ2 LYS 59 1HZ LYS 59 4.409 5.963 11.985 433 HZ3 LYS 59 2HZ LYS 59 5.983 6.126 11.590 434 H LYS 60 H LYS 60 7.753 10.309 7.029 435 HA LYS 60 HA LYS 60 7.098 9.665 4.204 436 HB2 LYS 60 1HB LYS 60 9.295 10.328 3.701 437 HB3 LYS 60 2HB LYS 60 8.696 11.486 4.873 438 HG2 LYS 60 1HG LYS 60 9.987 10.226 6.641 439 HG3 LYS 60 2HG LYS 60 10.675 9.222 5.346 440 HD2 LYS 60 1HD LYS 60 11.608 11.242 4.266 441 HD3 LYS 60 2HD LYS 60 10.905 12.257 5.545 442 HE2 LYS 60 1HE LYS 60 12.253 11.019 7.246 443 HE3 LYS 60 2HE LYS 60 12.979 10.050 5.955 444 HZ1 LYS 60 3HZ LYS 60 14.397 11.919 6.578 445 HZ2 LYS 60 1HZ LYS 60 13.904 12.107 5.032 446 HZ3 LYS 60 2HZ LYS 60 13.227 13.000 6.224 447 H ASN 61 H ASN 61 7.495 7.926 6.974 448 HA ASN 61 HA ASN 61 7.651 5.408 5.691 449 HB2 ASN 61 1HB ASN 61 9.716 4.507 6.527 450 HB3 ASN 61 2HB ASN 61 10.093 5.909 5.538 451 HD21 ASN 61 2HD2 ASN 61 10.296 7.995 6.800 452 HD22 ASN 61 1HD2 ASN 61 11.162 7.939 8.325 453 H THR 62 H THR 62 6.953 3.812 7.055 454 HA THR 62 HA THR 62 6.690 4.411 9.977 455 HB THR 62 HB THR 62 4.580 4.957 8.679 456 HG1 THR 62 1HG THR 62 3.392 3.912 10.431 457 HG21 THR 62 3HG2 THR 62 3.031 3.122 8.246 458 HG22 THR 62 1HG2 THR 62 4.486 2.896 7.263 459 HG23 THR 62 2HG2 THR 62 4.241 1.919 8.728 460 H GLU 63 H GLU 63 5.832 2.395 11.165 461 HA GLU 63 HA GLU 63 7.597 0.091 10.414 462 HB2 GLU 63 1HB GLU 63 7.098 1.484 13.072 463 HB3 GLU 63 2HB GLU 63 7.805 -0.135 12.957 464 HG2 GLU 63 1HG GLU 63 9.642 0.680 11.612 465 HG3 GLU 63 2HG GLU 63 8.975 2.315 11.575 466 H MET 64 H MET 64 6.909 -1.938 10.825 467 HA MET 64 HA MET 64 4.232 -2.469 11.972 468 HB2 MET 64 1HB MET 64 3.609 -3.727 9.881 469 HB3 MET 64 2HB MET 64 3.629 -1.971 9.716 470 HG2 MET 64 1HG MET 64 5.780 -2.037 8.584 471 HG3 MET 64 2HG MET 64 5.962 -3.756 8.921 472 HE1 MET 64 3HE MET 64 5.854 -3.589 5.139 473 HE2 MET 64 1HE MET 64 6.826 -3.163 6.554 474 HE3 MET 64 2HE MET 64 6.226 -4.835 6.354 475 H LEU 65 H LEU 65 3.825 -4.561 12.505 476 HA LEU 65 HA LEU 65 6.160 -6.378 12.715 477 HB2 LEU 65 1HB LEU 65 4.427 -5.392 14.675 478 HB3 LEU 65 2HB LEU 65 3.686 -6.924 14.295 479 HG LEU 65 HG LEU 65 5.136 -7.123 16.185 480 HD11 LEU 65 1HD1 LEU 65 5.060 -9.092 14.708 481 HD12 LEU 65 2HD1 LEU 65 6.546 -8.529 13.906 482 HD13 LEU 65 3HD1 LEU 65 6.576 -8.965 15.617 483 HD21 LEU 65 3HD2 LEU 65 7.508 -6.639 16.165 484 HD22 LEU 65 1HD2 LEU 65 7.458 -6.236 14.437 485 HD23 LEU 65 2HD2 LEU 65 6.604 -5.211 15.609 486 H ILE 66 H ILE 66 6.041 -8.408 12.058 487 HA ILE 66 HA ILE 66 3.634 -9.350 10.504 488 HB ILE 66 HB ILE 66 5.019 -10.289 8.844 489 HG12 ILE 66 1HG1 ILE 66 7.573 -9.007 9.405 490 HG13 ILE 66 2HG1 ILE 66 7.156 -10.030 10.759 491 HG21 ILE 66 1HG2 ILE 66 4.222 -7.938 8.667 492 HG22 ILE 66 2HG2 ILE 66 5.810 -7.379 9.227 493 HG23 ILE 66 3HG2 ILE 66 5.661 -8.300 7.713 494 HD11 ILE 66 3HD1 ILE 66 8.485 -11.102 8.843 495 HD12 ILE 66 1HD1 ILE 66 7.102 -12.006 9.466 496 HD13 ILE 66 2HD1 ILE 66 6.961 -11.111 7.945 497 H ALA 67 H ALA 67 4.930 -11.917 9.889 498 HA ALA 67 HA ALA 67 3.959 -13.519 11.970 499 HB1 ALA 67 1HB ALA 67 4.308 -14.183 9.585 500 HB2 ALA 67 2HB ALA 67 6.072 -14.131 9.843 501 HB3 ALA 67 3HB ALA 67 5.082 -15.326 10.701 502 H GLY 68 H GLY 68 7.044 -11.920 11.909 503 HA2 GLY 68 1HA GLY 68 7.744 -12.759 14.549 504 HA3 GLY 68 2HA GLY 68 8.652 -13.721 13.401 505 H PHE 69 H PHE 69 8.001 -10.394 12.452 506 HA PHE 69 HA PHE 69 10.699 -9.469 13.218 507 HB2 PHE 69 1HB PHE 69 9.826 -9.868 10.323 508 HB3 PHE 69 2HB PHE 69 11.255 -9.004 10.824 509 HD1 PHE 69 1HD PHE 69 13.129 -10.220 12.020 510 HD2 PHE 69 2HD PHE 69 9.858 -12.305 10.120 511 HE1 PHE 69 1HE PHE 69 14.506 -12.283 11.897 512 HE2 PHE 69 2HE PHE 69 11.238 -14.355 9.999 513 HZ PHE 69 HZ PHE 69 13.565 -14.351 10.881 514 H LEU 70 H LEU 70 11.065 -7.271 12.876 515 HA LEU 70 HA LEU 70 8.681 -5.545 12.429 516 HB2 LEU 70 1HB LEU 70 10.266 -5.324 14.471 517 HB3 LEU 70 2HB LEU 70 11.466 -4.758 13.324 518 HG LEU 70 HG LEU 70 10.548 -2.907 14.464 519 HD11 LEU 70 1HD1 LEU 70 10.912 -2.635 11.941 520 HD12 LEU 70 2HD1 LEU 70 9.136 -2.679 11.808 521 HD13 LEU 70 3HD1 LEU 70 9.921 -1.423 12.765 522 HD21 LEU 70 3HD2 LEU 70 8.163 -2.259 14.393 523 HD22 LEU 70 1HD2 LEU 70 7.775 -3.812 13.625 524 HD23 LEU 70 2HD2 LEU 70 8.457 -3.772 15.266 525 H TYR 71 H TYR 71 8.428 -4.681 10.531 526 HA TYR 71 HA TYR 71 10.745 -4.254 8.678 527 HB2 TYR 71 1HB TYR 71 7.878 -4.909 7.989 528 HB3 TYR 71 2HB TYR 71 9.080 -4.387 6.814 529 HD1 TYR 71 1HD TYR 71 11.490 -6.036 7.739 530 HD2 TYR 71 2HD TYR 71 7.341 -7.050 7.131 531 HE1 TYR 71 1HE TYR 71 12.100 -8.418 7.388 532 HE2 TYR 71 2HE TYR 71 7.937 -9.408 6.894 533 HH TYR 71 HH TYR 71 9.696 -10.978 6.805 534 H VAL 72 H VAL 72 11.065 -2.323 7.877 535 HA VAL 72 HA VAL 72 9.344 -0.039 8.693 536 HB VAL 72 HB VAL 72 11.988 0.044 7.197 537 HG11 VAL 72 1HG1 VAL 72 10.586 2.084 6.970 538 HG12 VAL 72 2HG1 VAL 72 10.456 2.187 8.743 539 HG13 VAL 72 3HG1 VAL 72 12.027 2.404 7.945 540 HG21 VAL 72 3HG2 VAL 72 13.026 0.709 9.354 541 HG22 VAL 72 1HG2 VAL 72 11.513 0.289 10.186 542 HG23 VAL 72 2HG2 VAL 72 12.459 -0.962 9.344 543 H ALA 73 H ALA 73 7.872 0.645 7.259 544 HA ALA 73 HA ALA 73 8.071 -0.054 4.359 545 HB1 ALA 73 1HB ALA 73 5.968 -0.697 5.451 546 HB2 ALA 73 2HB ALA 73 5.749 0.964 6.047 547 HB3 ALA 73 3HB ALA 73 5.696 0.629 4.301 548 H ASP 74 H ASP 74 9.222 1.430 3.311 549 HA ASP 74 HA ASP 74 9.243 4.284 4.098 550 HB2 ASP 74 1HB ASP 74 11.363 3.146 3.530 551 HB3 ASP 74 2HB ASP 74 10.744 2.811 1.914 552 H LEU 75 H LEU 75 7.887 5.675 3.255 553 HA LEU 75 HA LEU 75 5.981 4.836 1.173 554 HB2 LEU 75 1HB LEU 75 6.150 7.065 3.231 555 HB3 LEU 75 2HB LEU 75 5.013 7.156 1.908 556 HG LEU 75 HG LEU 75 3.842 5.197 2.611 557 HD11 LEU 75 1HD1 LEU 75 5.551 3.763 3.582 558 HD12 LEU 75 2HD1 LEU 75 5.702 4.885 4.963 559 HD13 LEU 75 3HD1 LEU 75 4.189 4.005 4.678 560 HD21 LEU 75 3HD2 LEU 75 2.801 6.126 4.552 561 HD22 LEU 75 1HD2 LEU 75 4.308 6.915 5.080 562 HD23 LEU 75 2HD2 LEU 75 3.447 7.506 3.656 563 H GLU 76 H GLU 76 8.897 6.631 1.210 564 HA GLU 76 HA GLU 76 8.168 8.543 -0.911 565 HB2 GLU 76 1HB GLU 76 10.817 7.862 0.439 566 HB3 GLU 76 2HB GLU 76 10.581 9.146 -0.732 567 HG2 GLU 76 1HG GLU 76 9.193 8.951 1.967 568 HG3 GLU 76 2HG GLU 76 10.612 9.931 1.640 569 H ASN 77 H ASN 77 10.211 5.660 -0.556 570 HA ASN 77 HA ASN 77 10.686 5.452 -3.482 571 HB2 ASN 77 1HB ASN 77 11.716 3.830 -1.115 572 HB3 ASN 77 2HB ASN 77 12.236 3.650 -2.790 573 HD21 ASN 77 2HD2 ASN 77 12.304 5.814 0.054 574 HD22 ASN 77 1HD2 ASN 77 13.678 6.761 -0.510 575 H MET 78 H MET 78 8.456 4.433 -1.178 576 HA MET 78 HA MET 78 6.901 2.778 -0.908 577 HB2 MET 78 1HB MET 78 7.017 2.546 -3.928 578 HB3 MET 78 2HB MET 78 5.769 1.894 -2.863 579 HG2 MET 78 1HG MET 78 6.120 4.762 -2.380 580 HG3 MET 78 2HG MET 78 5.862 4.434 -4.082 581 HE1 MET 78 3HE MET 78 2.884 3.579 -0.666 582 HE2 MET 78 1HE MET 78 4.459 2.763 -0.742 583 HE3 MET 78 2HE MET 78 4.377 4.530 -0.534 584 H VAL 79 H VAL 79 8.781 1.690 0.171 585 HA VAL 79 HA VAL 79 9.038 -1.066 -0.909 586 HB VAL 79 HB VAL 79 11.464 -1.208 -0.442 587 HG11 VAL 79 1HG1 VAL 79 10.709 -0.814 -2.762 588 HG12 VAL 79 2HG1 VAL 79 10.901 0.936 -2.512 589 HG13 VAL 79 3HG1 VAL 79 12.308 -0.139 -2.423 590 HG21 VAL 79 3HG2 VAL 79 12.829 0.815 -0.171 591 HG22 VAL 79 1HG2 VAL 79 11.370 1.812 -0.112 592 HG23 VAL 79 2HG2 VAL 79 11.703 0.622 1.167 593 H GLN 80 H GLN 80 9.981 -2.596 0.656 594 HA GLN 80 HA GLN 80 9.712 -1.759 3.501 595 HB2 GLN 80 1HB GLN 80 8.912 -3.992 4.054 596 HB3 GLN 80 2HB GLN 80 7.799 -3.178 2.953 597 HG2 GLN 80 1HG GLN 80 8.477 -4.511 1.087 598 HG3 GLN 80 2HG GLN 80 9.932 -5.080 1.906 599 HE21 GLN 80 2HE2 GLN 80 9.481 -6.387 4.057 600 HE22 GLN 80 1HE2 GLN 80 8.260 -7.622 3.781 601 H TYR 81 H TYR 81 11.191 -2.595 4.959 602 HA TYR 81 HA TYR 81 13.140 -4.633 4.318 603 HB2 TYR 81 1HB TYR 81 15.129 -3.092 4.656 604 HB3 TYR 81 2HB TYR 81 14.324 -3.020 3.115 605 HD1 TYR 81 2HD TYR 81 14.373 -1.232 6.449 606 HD2 TYR 81 1HD TYR 81 13.735 -0.945 2.195 607 HE1 TYR 81 2HE TYR 81 14.278 1.230 6.640 608 HE2 TYR 81 1HE TYR 81 13.644 1.532 2.379 609 HH TYR 81 HH TYR 81 14.051 3.228 5.519 610 H ARG 82 H ARG 82 14.618 -5.096 6.164 611 HA ARG 82 HA ARG 82 13.411 -4.655 8.806 612 HB2 ARG 82 1HB ARG 82 16.059 -5.906 7.945 613 HB3 ARG 82 2HB ARG 82 15.519 -5.770 9.623 614 HG2 ARG 82 1HG ARG 82 13.467 -7.070 9.065 615 HG3 ARG 82 2HG ARG 82 14.093 -7.302 7.417 616 HD2 ARG 82 1HD ARG 82 16.046 -8.515 8.303 617 HD3 ARG 82 2HD ARG 82 15.536 -8.168 9.957 618 HE ARG 82 HE ARG 82 13.959 -9.838 9.877 619 HH11 ARG 82 1HH1 ARG 82 15.119 -9.463 6.505 620 HH12 ARG 82 2HH1 ARG 82 14.314 -10.977 6.074 621 HH21 ARG 82 1HH2 ARG 82 13.007 -11.754 9.061 622 HH22 ARG 82 2HH2 ARG 82 13.246 -12.103 7.344 623 H ARG 83 H ARG 83 14.366 -3.431 10.533 624 HA ARG 83 HA ARG 83 14.929 -0.806 9.849 625 HB2 ARG 83 1HB ARG 83 15.726 -2.106 12.484 626 HB3 ARG 83 2HB ARG 83 15.437 -0.389 12.182 627 HG2 ARG 83 1HG ARG 83 13.043 -0.990 11.560 628 HG3 ARG 83 2HG ARG 83 13.388 -2.638 12.103 629 HD2 ARG 83 1HD ARG 83 12.322 -1.607 13.904 630 HD3 ARG 83 2HD ARG 83 14.023 -1.623 14.371 631 HE ARG 83 HE ARG 83 12.339 0.702 13.500 632 HH11 ARG 83 1HH1 ARG 83 15.474 -0.219 14.913 633 HH12 ARG 83 2HH1 ARG 83 15.791 1.428 15.374 634 HH21 ARG 83 1HH2 ARG 83 12.747 2.604 14.102 635 HH22 ARG 83 2HH2 ARG 83 14.243 3.071 14.911 636 H ASN 84 H ASN 84 17.331 -3.310 10.190 637 HA ASN 84 HA ASN 84 19.620 -1.436 10.149 638 HB2 ASN 84 1HB ASN 84 20.915 -3.318 10.780 639 HB3 ASN 84 2HB ASN 84 19.459 -3.340 11.765 640 HD21 ASN 84 2HD2 ASN 84 21.308 -4.998 9.340 641 HD22 ASN 84 1HD2 ASN 84 20.272 -6.415 9.205 642 H GLU 85 H GLU 85 17.731 -2.683 7.696 643 HA GLU 85 HA GLU 85 20.020 -3.290 5.875 644 HB2 GLU 85 1HB GLU 85 18.769 -5.280 6.722 645 HB3 GLU 85 2HB GLU 85 17.286 -4.627 6.034 646 HG2 GLU 85 1HG GLU 85 18.326 -6.405 4.651 647 HG3 GLU 85 2HG GLU 85 18.134 -4.894 3.778 648 H HIS 86 H HIS 86 19.699 -2.901 3.631 649 HA HIS 86 HA HIS 86 17.349 -1.376 2.705 650 HB2 HIS 86 1HB HIS 86 18.639 0.419 3.575 651 HB3 HIS 86 2HB HIS 86 20.147 -0.240 2.956 652 HD2 HIS 86 2HD HIS 86 20.792 0.127 0.479 653 HE1 HIS 86 1HE HIS 86 17.590 2.719 -0.627 654 HE2 HIS 86 2HE HIS 86 19.850 1.790 -1.359 655 H GLY 87 H GLY 87 20.353 -3.114 1.976 656 HA2 GLY 87 1HA GLY 87 20.243 -2.777 -0.900 657 HA3 GLY 87 2HA GLY 87 21.281 -3.897 0.011 658 H ARG 88 H ARG 88 18.485 -4.860 1.141 659 HA ARG 88 HA ARG 88 17.790 -6.709 -1.108 660 HB2 ARG 88 1HB ARG 88 17.832 -7.368 1.868 661 HB3 ARG 88 2HB ARG 88 17.380 -8.442 0.551 662 HG2 ARG 88 1HG ARG 88 19.516 -9.148 0.925 663 HG3 ARG 88 2HG ARG 88 19.785 -7.996 -0.386 664 HD2 ARG 88 1HD ARG 88 20.453 -6.284 1.331 665 HD3 ARG 88 2HD ARG 88 20.149 -7.472 2.596 666 HE ARG 88 HE ARG 88 21.963 -8.721 0.937 667 HH11 ARG 88 1HH1 ARG 88 22.024 -5.627 2.704 668 HH12 ARG 88 2HH1 ARG 88 23.762 -5.558 2.664 669 HH21 ARG 88 1HH2 ARG 88 24.200 -8.577 1.003 670 HH22 ARG 88 2HH2 ARG 88 24.971 -7.215 1.754 671 H ARG 89 H ARG 89 16.605 -4.096 -0.010 672 HA ARG 89 HA ARG 89 14.046 -4.405 1.061 673 HB2 ARG 89 1HB ARG 89 13.551 -2.216 0.141 674 HB3 ARG 89 2HB ARG 89 15.179 -2.268 0.801 675 HG2 ARG 89 1HG ARG 89 16.002 -2.660 -1.613 676 HG3 ARG 89 2HG ARG 89 14.354 -2.263 -2.126 677 HD2 ARG 89 1HD ARG 89 14.545 -0.052 -1.062 678 HD3 ARG 89 2HD ARG 89 16.165 -0.424 -0.492 679 HE ARG 89 HE ARG 89 15.337 0.352 -3.179 680 HH11 ARG 89 1HH1 ARG 89 17.948 -1.254 -1.408 681 HH12 ARG 89 2HH1 ARG 89 19.083 -1.024 -2.714 682 HH21 ARG 89 1HH2 ARG 89 16.860 0.649 -4.787 683 HH22 ARG 89 2HH2 ARG 89 18.478 0.057 -4.583 684 H ARG 90 H ARG 90 11.969 -4.570 0.265 685 HA ARG 90 HA ARG 90 11.609 -5.677 -2.516 686 HB2 ARG 90 1HB ARG 90 10.146 -6.330 0.067 687 HB3 ARG 90 2HB ARG 90 9.509 -6.728 -1.527 688 HG2 ARG 90 1HG ARG 90 11.456 -8.115 -2.018 689 HG3 ARG 90 2HG ARG 90 12.188 -7.710 -0.452 690 HD2 ARG 90 1HD ARG 90 10.415 -8.804 0.766 691 HD3 ARG 90 2HD ARG 90 9.440 -9.014 -0.684 692 HE ARG 90 HE ARG 90 11.669 -10.690 0.211 693 HH11 ARG 90 1HH1 ARG 90 9.681 -9.925 -2.643 694 HH12 ARG 90 2HH1 ARG 90 10.294 -11.308 -3.502 695 HH21 ARG 90 1HH2 ARG 90 12.265 -12.390 -0.807 696 HH22 ARG 90 2HH2 ARG 90 11.759 -12.762 -2.448 697 H LYS 91 H LYS 91 10.041 -4.806 -3.791 698 HA LYS 91 HA LYS 91 9.086 -2.143 -3.277 699 HB2 LYS 91 1HB LYS 91 8.960 -4.193 -5.437 700 HB3 LYS 91 2HB LYS 91 7.567 -3.145 -5.385 701 HG2 LYS 91 1HG LYS 91 10.411 -2.068 -5.431 702 HG3 LYS 91 2HG LYS 91 9.502 -2.426 -6.900 703 HD2 LYS 91 1HD LYS 91 8.531 -0.510 -4.758 704 HD3 LYS 91 2HD LYS 91 9.440 0.001 -6.172 705 HE2 LYS 91 1HE LYS 91 7.706 -0.522 -7.666 706 HE3 LYS 91 2HE LYS 91 6.915 -1.627 -6.545 707 HZ1 LYS 91 3HZ LYS 91 5.754 0.517 -6.764 708 HZ2 LYS 91 1HZ LYS 91 6.179 0.213 -5.219 709 HZ3 LYS 91 2HZ LYS 91 7.036 1.299 -6.119 710 H ILE 92 H ILE 92 7.151 -1.301 -2.726 711 HA ILE 92 HA ILE 92 4.828 -3.119 -2.304 712 HB ILE 92 HB ILE 92 4.088 -2.069 -0.351 713 HG12 ILE 92 1HG1 ILE 92 6.240 -0.017 -0.772 714 HG13 ILE 92 2HG1 ILE 92 4.501 0.223 -0.812 715 HG21 ILE 92 1HG2 ILE 92 5.907 -3.758 -0.083 716 HG22 ILE 92 2HG2 ILE 92 7.072 -2.426 0.087 717 HG23 ILE 92 3HG2 ILE 92 5.755 -2.623 1.262 718 HD11 ILE 92 3HD1 ILE 92 5.405 1.155 1.214 719 HD12 ILE 92 1HD1 ILE 92 4.433 -0.274 1.647 720 HD13 ILE 92 2HD1 ILE 92 6.213 -0.356 1.638 721 H LYS 93 H LYS 93 2.742 -1.886 -2.282 722 HA LYS 93 HA LYS 93 2.661 0.691 -3.647 723 HB2 LYS 93 1HB LYS 93 1.437 0.016 -5.596 724 HB3 LYS 93 2HB LYS 93 2.919 -0.928 -5.561 725 HG2 LYS 93 1HG LYS 93 1.722 -2.903 -4.789 726 HG3 LYS 93 2HG LYS 93 0.236 -1.986 -4.542 727 HD2 LYS 93 1HD LYS 93 0.042 -1.524 -6.926 728 HD3 LYS 93 2HD LYS 93 1.526 -2.454 -7.252 729 HE2 LYS 93 1HE LYS 93 0.523 -4.506 -6.537 730 HE3 LYS 93 2HE LYS 93 -0.823 -3.673 -5.744 731 HZ1 LYS 93 3HZ LYS 93 -1.427 -4.674 -7.901 732 HZ2 LYS 93 1HZ LYS 93 -1.731 -3.076 -7.841 733 HZ3 LYS 93 2HZ LYS 93 -0.425 -3.638 -8.678 734 H ARG 94 H ARG 94 0.453 1.488 -3.963 735 HA ARG 94 HA ARG 94 -1.578 0.415 -2.038 736 HB2 ARG 94 1HB ARG 94 -1.261 3.153 -3.342 737 HB3 ARG 94 2HB ARG 94 -2.752 2.602 -2.565 738 HG2 ARG 94 1HG ARG 94 -1.506 2.200 -0.462 739 HG3 ARG 94 2HG ARG 94 -0.045 2.865 -1.206 740 HD2 ARG 94 1HD ARG 94 -1.023 4.603 0.118 741 HD3 ARG 94 2HD ARG 94 -1.282 5.036 -1.562 742 HE ARG 94 HE ARG 94 -3.315 4.062 0.421 743 HH11 ARG 94 1HH1 ARG 94 -2.804 5.379 -2.845 744 HH12 ARG 94 2HH1 ARG 94 -4.490 5.757 -3.026 745 HH21 ARG 94 1HH2 ARG 94 -5.379 4.702 0.173 746 HH22 ARG 94 2HH2 ARG 94 -5.946 5.334 -1.356 747 H ASP 95 H ASP 95 -3.658 0.007 -2.815 748 HA ASP 95 HA ASP 95 -4.356 0.451 -5.618 749 HB2 ASP 95 1HB ASP 95 -3.233 -2.051 -5.001 750 HB3 ASP 95 2HB ASP 95 -4.978 -2.330 -4.895 751 H ILE 96 H ILE 96 -6.635 -0.663 -5.961 752 HA ILE 96 HA ILE 96 -8.404 0.062 -3.644 753 HB ILE 96 HB ILE 96 -8.749 0.830 -6.557 754 HG12 ILE 96 1HG1 ILE 96 -6.972 2.179 -5.464 755 HG13 ILE 96 2HG1 ILE 96 -8.357 3.124 -5.951 756 HG21 ILE 96 1HG2 ILE 96 -10.942 0.531 -5.580 757 HG22 ILE 96 2HG2 ILE 96 -10.471 1.354 -4.074 758 HG23 ILE 96 3HG2 ILE 96 -10.659 2.265 -5.584 759 HD11 ILE 96 3HD1 ILE 96 -7.394 3.659 -3.651 760 HD12 ILE 96 1HD1 ILE 96 -9.144 3.346 -3.705 761 HD13 ILE 96 2HD1 ILE 96 -8.050 2.089 -3.119 762 H ILE 97 H ILE 97 -10.130 -1.139 -3.350 763 HA ILE 97 HA ILE 97 -10.629 -3.521 -5.080 764 HB ILE 97 HB ILE 97 -11.834 -2.849 -2.398 765 HG12 ILE 97 1HG1 ILE 97 -10.407 -4.991 -1.820 766 HG13 ILE 97 2HG1 ILE 97 -9.378 -4.438 -3.127 767 HG21 ILE 97 1HG2 ILE 97 -13.308 -4.227 -3.656 768 HG22 ILE 97 2HG2 ILE 97 -11.984 -5.325 -4.132 769 HG23 ILE 97 3HG2 ILE 97 -12.538 -5.236 -2.440 770 HD11 ILE 97 3HD1 ILE 97 -8.972 -3.680 -0.628 771 HD12 ILE 97 1HD1 ILE 97 -8.751 -2.489 -1.930 772 HD13 ILE 97 2HD1 ILE 97 -10.229 -2.485 -0.934 773 H ASP 98 H ASP 98 -12.457 -3.772 -6.217 774 HA ASP 98 HA ASP 98 -14.376 -1.494 -6.378 775 HB2 ASP 98 1HB ASP 98 -13.019 -2.161 -8.372 776 HB3 ASP 98 2HB ASP 98 -13.833 -3.724 -8.367 777 H ILE 99 H ILE 99 -14.251 -4.769 -5.433 778 HA ILE 99 HA ILE 99 -15.635 -6.121 -4.303 779 HB ILE 99 HB ILE 99 -17.814 -4.043 -4.514 780 HG12 ILE 99 1HG1 ILE 99 -15.795 -3.146 -3.365 781 HG13 ILE 99 2HG1 ILE 99 -17.208 -3.247 -2.339 782 HG21 ILE 99 1HG2 ILE 99 -18.778 -6.184 -3.966 783 HG22 ILE 99 2HG2 ILE 99 -17.590 -6.443 -2.674 784 HG23 ILE 99 3HG2 ILE 99 -18.792 -5.146 -2.544 785 HD11 ILE 99 3HD1 ILE 99 -15.036 -3.917 -1.254 786 HD12 ILE 99 1HD1 ILE 99 -16.315 -5.141 -1.139 787 HD13 ILE 99 2HD1 ILE 99 -14.993 -5.343 -2.308 788 HA PRO 100 HA PRO 100 -17.450 -8.182 -7.848 789 HB2 PRO 100 1HB PRO 100 -17.761 -10.685 -6.844 790 HB3 PRO 100 2HB PRO 100 -16.145 -9.973 -7.116 791 HG2 PRO 100 1HG PRO 100 -17.732 -10.063 -4.520 792 HG3 PRO 100 2HG PRO 100 -16.027 -10.558 -4.784 793 HD2 PRO 100 1HD PRO 100 -16.716 -8.077 -3.836 794 HD3 PRO 100 2HD PRO 100 -15.302 -8.323 -4.902 795 H LYS 101 H LYS 101 -19.425 -9.464 -8.385 796 HA LYS 101 HA LYS 101 -21.812 -8.256 -7.420 797 HB2 LYS 101 1HB LYS 101 -22.992 -9.875 -8.785 798 HB3 LYS 101 2HB LYS 101 -21.602 -9.209 -9.642 799 HG2 LYS 101 1HG LYS 101 -20.315 -11.303 -9.170 800 HG3 LYS 101 2HG LYS 101 -21.699 -11.947 -8.281 801 HD2 LYS 101 1HD LYS 101 -21.667 -12.928 -10.470 802 HD3 LYS 101 2HD LYS 101 -23.074 -11.862 -10.346 803 HE2 LYS 101 1HE LYS 101 -21.842 -10.093 -11.590 804 HE3 LYS 101 2HE LYS 101 -20.413 -11.132 -11.668 805 HZ1 LYS 101 3HZ LYS 101 -21.709 -11.245 -13.711 806 HZ2 LYS 101 1HZ LYS 101 -21.715 -12.707 -12.985 807 HZ3 LYS 101 2HZ LYS 101 -23.039 -11.747 -12.910 808 H LYS 102 H LYS 102 -20.162 -11.124 -6.245 809 HA LYS 102 HA LYS 102 -22.185 -12.233 -4.580 810 HB2 LYS 102 1HB LYS 102 -20.025 -13.270 -5.281 811 HB3 LYS 102 2HB LYS 102 -19.162 -12.180 -4.186 812 HG2 LYS 102 1HG LYS 102 -20.268 -13.210 -2.244 813 HG3 LYS 102 2HG LYS 102 -21.319 -14.155 -3.306 814 HD2 LYS 102 1HD LYS 102 -19.574 -15.572 -2.422 815 HD3 LYS 102 2HD LYS 102 -19.353 -15.389 -4.168 816 HE2 LYS 102 1HE LYS 102 -17.585 -13.685 -3.771 817 HE3 LYS 102 2HE LYS 102 -17.842 -13.815 -2.024 818 HZ1 LYS 102 3HZ LYS 102 -15.960 -15.160 -2.748 819 HZ2 LYS 102 1HZ LYS 102 -17.129 -16.137 -2.160 820 HZ3 LYS 102 2HZ LYS 102 -16.894 -16.020 -3.775 821 H GLY 103 H GLY 103 -20.356 -9.293 -4.137 822 HA2 GLY 103 1HA GLY 103 -20.969 -8.956 -1.285 823 HA3 GLY 103 2HA GLY 103 -20.206 -7.786 -2.393 824 H VAL 104 H VAL 104 -22.837 -8.540 -4.080 825 HA VAL 104 HA VAL 104 -24.425 -6.257 -3.007 826 HB VAL 104 HB VAL 104 -24.699 -7.698 -5.681 827 HG11 VAL 104 1HG1 VAL 104 -26.804 -6.621 -4.985 828 HG12 VAL 104 2HG1 VAL 104 -25.937 -5.107 -4.644 829 HG13 VAL 104 3HG1 VAL 104 -26.064 -5.715 -6.308 830 HG21 VAL 104 3HG2 VAL 104 -23.673 -5.649 -6.650 831 HG22 VAL 104 1HG2 VAL 104 -23.358 -5.036 -5.012 832 HG23 VAL 104 2HG2 VAL 104 -22.543 -6.503 -5.600 833 H SER 105 H SER 105 -26.307 -6.594 -1.971 834 HA SER 105 HA SER 105 -28.009 -8.925 -2.293 835 HB2 SER 105 1HB SER 105 -27.696 -9.848 -0.042 836 HB3 SER 105 2HB SER 105 -26.219 -9.974 -0.988 837 HG SER 105 HG SER 105 -25.403 -8.142 0.126 838 H GLY 106 H GLY 106 -29.724 -8.961 -0.479 839 HA2 GLY 106 1HA GLY 106 -31.139 -7.815 1.041 840 HA3 GLY 106 2HA GLY 106 -30.455 -6.257 0.550 841 HA PRO 107 HA PRO 107 -34.567 -7.191 -1.559 842 HB2 PRO 107 1HB PRO 107 -36.212 -5.388 -0.340 843 HB3 PRO 107 2HB PRO 107 -35.798 -6.968 0.396 844 HG2 PRO 107 1HG PRO 107 -34.505 -4.271 0.934 845 HG3 PRO 107 2HG PRO 107 -35.123 -5.458 2.129 846 HD2 PRO 107 1HD PRO 107 -32.488 -5.344 1.434 847 HD3 PRO 107 2HD PRO 107 -33.294 -6.904 1.776 848 H SER 108 H SER 108 -35.664 -5.946 -3.153 849 HA SER 108 HA SER 108 -35.109 -3.150 -3.657 850 HB2 SER 108 1HB SER 108 -33.969 -3.451 -5.832 851 HB3 SER 108 2HB SER 108 -32.971 -3.907 -4.452 852 HG SER 108 HG SER 108 -33.290 -6.070 -4.920 853 H SER 109 H SER 109 -35.564 -5.492 -6.217 854 HA SER 109 HA SER 109 -38.472 -5.432 -6.319 855 HB2 SER 109 1HB SER 109 -38.710 -4.096 -8.375 856 HB3 SER 109 2HB SER 109 -38.146 -3.128 -7.012 857 HG SER 109 HG SER 109 -36.969 -2.674 -8.941 858 H GLY 110 H GLY 110 -35.401 -6.225 -7.913 859 HA2 GLY 110 1HA GLY 110 -36.274 -8.818 -8.749 860 HA3 GLY 110 2HA GLY 110 -36.337 -7.715 -10.124 861 H5'1 ATP 201 H5" ATP 111 11.287 -14.764 6.638 862 H5'2 ATP 201 H5' ATP 111 11.201 -13.081 7.162 863 H4' ATP 201 H4' ATP 111 9.105 -14.390 7.512 864 H3' ATP 201 H3' ATP 111 9.441 -15.361 4.903 865 HO3' ATP 201 H3T ATP 111 7.097 -15.899 5.259 866 H2' ATP 201 H2' ATP 111 8.869 -13.281 3.901 867 HO2' ATP 201 2HO ATP 111 7.330 -14.773 3.040 868 H1' ATP 201 H1' ATP 111 6.730 -13.036 6.044 869 H8 ATP 201 8H ATP 111 9.250 -10.853 3.984 870 HN61 ATP 201 2H6 ATP 111 5.913 -7.271 2.949 871 HN62 ATP 201 1H6 ATP 111 4.307 -7.033 3.641 872 H2 ATP 201 2H ATP 111 3.369 -10.080 6.459 Start of MODEL 13 1 HA PRO 1 HA PRO 1 -36.358 18.197 -18.649 2 HB2 PRO 1 1HB PRO 1 -36.305 15.417 -19.848 3 HB3 PRO 1 2HB PRO 1 -36.083 17.001 -20.653 4 HG2 PRO 1 1HG PRO 1 -34.046 15.272 -19.572 5 HG3 PRO 1 2HG PRO 1 -33.799 16.943 -20.160 6 HD2 PRO 1 1HD PRO 1 -33.471 16.184 -17.500 7 HD3 PRO 1 2HD PRO 1 -33.859 17.832 -18.051 8 H SER 2 H SER 2 -38.497 17.243 -20.110 9 HA SER 2 HA SER 2 -40.645 17.196 -18.248 10 HB2 SER 2 1HB SER 2 -40.695 16.329 -21.158 11 HB3 SER 2 2HB SER 2 -42.060 16.924 -20.201 12 HG SER 2 HG SER 2 -41.082 18.976 -20.136 13 H SER 3 H SER 3 -38.756 14.518 -19.411 14 HA SER 3 HA SER 3 -40.689 12.432 -18.653 15 HB2 SER 3 1HB SER 3 -38.757 10.954 -19.290 16 HB3 SER 3 2HB SER 3 -39.319 12.032 -20.574 17 HG SER 3 HG SER 3 -37.004 12.001 -20.373 18 H GLY 4 H GLY 4 -38.770 14.466 -16.855 19 HA2 GLY 4 1HA GLY 4 -38.841 14.030 -14.385 20 HA3 GLY 4 2HA GLY 4 -38.096 12.462 -14.716 21 H SER 5 H SER 5 -36.984 14.240 -12.963 22 HA SER 5 HA SER 5 -34.388 15.003 -14.192 23 HB2 SER 5 1HB SER 5 -36.171 16.883 -12.590 24 HB3 SER 5 2HB SER 5 -34.471 17.185 -12.967 25 HG SER 5 HG SER 5 -36.004 18.219 -14.394 26 H SER 6 H SER 6 -32.649 15.105 -12.658 27 HA SER 6 HA SER 6 -33.037 14.673 -9.823 28 HB2 SER 6 1HB SER 6 -31.994 12.456 -9.692 29 HB3 SER 6 2HB SER 6 -33.532 12.392 -10.547 30 HG SER 6 HG SER 6 -32.386 12.309 -12.525 31 H GLY 7 H GLY 7 -30.929 14.343 -8.681 32 HA2 GLY 7 1HA GLY 7 -28.455 15.073 -10.109 33 HA3 GLY 7 2HA GLY 7 -29.044 16.253 -8.948 34 H PHE 8 H PHE 8 -26.568 15.023 -8.689 35 HA PHE 8 HA PHE 8 -26.824 13.019 -6.517 36 HB2 PHE 8 1HB PHE 8 -24.536 12.457 -7.063 37 HB3 PHE 8 2HB PHE 8 -25.554 12.354 -8.479 38 HD1 PHE 8 2HD PHE 8 -22.812 14.230 -6.836 39 HD2 PHE 8 1HD PHE 8 -25.229 13.867 -10.390 40 HE1 PHE 8 2HE PHE 8 -21.233 15.704 -8.062 41 HE2 PHE 8 1HE PHE 8 -23.648 15.342 -11.612 42 HZ PHE 8 HZ PHE 8 -21.650 16.264 -10.450 43 H LEU 9 H LEU 9 -25.297 13.105 -4.767 44 HA LEU 9 HA LEU 9 -24.029 15.604 -3.965 45 HB2 LEU 9 1HB LEU 9 -26.434 15.956 -3.388 46 HB3 LEU 9 2HB LEU 9 -26.430 14.443 -2.487 47 HG LEU 9 HG LEU 9 -24.821 15.415 -0.856 48 HD11 LEU 9 1HD1 LEU 9 -23.646 17.064 -2.274 49 HD12 LEU 9 2HD1 LEU 9 -25.154 17.983 -2.480 50 HD13 LEU 9 3HD1 LEU 9 -24.381 17.867 -0.885 51 HD21 LEU 9 3HD2 LEU 9 -26.403 16.974 0.201 52 HD22 LEU 9 1HD2 LEU 9 -27.299 17.124 -1.326 53 HD23 LEU 9 2HD2 LEU 9 -27.250 15.569 -0.466 54 H ASP 10 H ASP 10 -22.494 15.258 -2.322 55 HA ASP 10 HA ASP 10 -22.167 12.609 -1.081 56 HB2 ASP 10 1HB ASP 10 -21.167 12.599 -3.446 57 HB3 ASP 10 2HB ASP 10 -20.025 13.805 -2.847 58 H LYS 11 H LYS 11 -20.142 12.564 0.185 59 HA LYS 11 HA LYS 11 -20.135 14.869 2.030 60 HB2 LYS 11 1HB LYS 11 -19.482 11.910 2.146 61 HB3 LYS 11 2HB LYS 11 -18.811 12.965 3.370 62 HG2 LYS 11 1HG LYS 11 -21.562 13.719 3.178 63 HG3 LYS 11 2HG LYS 11 -21.553 11.960 3.076 64 HD2 LYS 11 1HD LYS 11 -20.224 13.636 5.257 65 HD3 LYS 11 2HD LYS 11 -21.802 12.841 5.392 66 HE2 LYS 11 1HE LYS 11 -20.729 10.621 5.030 67 HE3 LYS 11 2HE LYS 11 -19.145 11.398 4.936 68 HZ1 LYS 11 3HZ LYS 11 -19.574 10.534 7.156 69 HZ2 LYS 11 1HZ LYS 11 -19.458 12.160 7.229 70 HZ3 LYS 11 2HZ LYS 11 -20.923 11.437 7.313 71 HA PRO 12 HA PRO 12 -16.055 16.296 1.237 72 HB2 PRO 12 1HB PRO 12 -15.125 17.085 3.689 73 HB3 PRO 12 2HB PRO 12 -16.460 17.892 2.835 74 HG2 PRO 12 1HG PRO 12 -16.616 15.799 5.026 75 HG3 PRO 12 2HG PRO 12 -17.522 17.342 4.911 76 HD2 PRO 12 1HD PRO 12 -18.563 14.925 4.144 77 HD3 PRO 12 2HD PRO 12 -19.025 16.435 3.342 78 H THR 13 H THR 13 -13.712 16.159 2.113 79 HA THR 13 HA THR 13 -12.843 13.555 3.082 80 HB THR 13 HB THR 13 -13.457 13.105 0.706 81 HG1 THR 13 1HG THR 13 -11.687 11.924 0.416 82 HG21 THR 13 3HG2 THR 13 -12.221 14.054 -1.112 83 HG22 THR 13 1HG2 THR 13 -12.818 15.412 -0.164 84 HG23 THR 13 2HG2 THR 13 -11.117 14.917 -0.018 85 H LEU 14 H LEU 14 -10.537 13.296 2.982 86 HA LEU 14 HA LEU 14 -9.138 15.825 3.777 87 HB2 LEU 14 1HB LEU 14 -8.618 12.977 4.705 88 HB3 LEU 14 2HB LEU 14 -7.884 14.440 5.326 89 HG LEU 14 HG LEU 14 -10.746 14.794 5.573 90 HD11 LEU 14 1HD1 LEU 14 -10.944 12.347 5.346 91 HD12 LEU 14 2HD1 LEU 14 -9.803 12.124 6.692 92 HD13 LEU 14 3HD1 LEU 14 -11.380 12.898 6.975 93 HD21 LEU 14 3HD2 LEU 14 -10.245 14.912 7.968 94 HD22 LEU 14 1HD2 LEU 14 -8.640 14.194 7.693 95 HD23 LEU 14 2HD2 LEU 14 -9.029 15.797 7.027 96 H LEU 15 H LEU 15 -9.286 13.636 1.287 97 HA LEU 15 HA LEU 15 -6.397 13.316 0.797 98 HB2 LEU 15 1HB LEU 15 -8.715 12.479 -0.977 99 HB3 LEU 15 2HB LEU 15 -7.059 11.908 -1.039 100 HG LEU 15 HG LEU 15 -9.071 11.314 1.172 101 HD11 LEU 15 1HD1 LEU 15 -9.452 10.123 -0.969 102 HD12 LEU 15 2HD1 LEU 15 -7.786 9.505 -0.916 103 HD13 LEU 15 3HD1 LEU 15 -8.957 9.022 0.328 104 HD21 LEU 15 3HD2 LEU 15 -7.341 9.759 2.059 105 HD22 LEU 15 1HD2 LEU 15 -6.168 10.415 0.895 106 HD23 LEU 15 2HD2 LEU 15 -6.843 11.449 2.178 107 H SER 16 H SER 16 -6.017 13.416 -1.755 108 HA SER 16 HA SER 16 -6.186 16.263 -2.562 109 HB2 SER 16 1HB SER 16 -4.381 13.913 -3.144 110 HB3 SER 16 2HB SER 16 -4.443 15.250 -4.227 111 HG SER 16 HG SER 16 -3.761 15.346 -1.447 112 HA PRO 17 HA PRO 17 -8.892 15.376 -5.990 113 HB2 PRO 17 1HB PRO 17 -7.764 16.823 -8.042 114 HB3 PRO 17 2HB PRO 17 -8.690 17.548 -6.694 115 HG2 PRO 17 1HG PRO 17 -5.681 17.295 -6.964 116 HG3 PRO 17 2HG PRO 17 -6.637 18.726 -6.454 117 HD2 PRO 17 1HD PRO 17 -5.454 17.089 -4.643 118 HD3 PRO 17 2HD PRO 17 -7.055 17.834 -4.328 119 H GLU 18 H GLU 18 -5.414 14.867 -6.342 120 HA GLU 18 HA GLU 18 -5.615 13.138 -8.657 121 HB2 GLU 18 1HB GLU 18 -3.292 13.464 -6.714 122 HB3 GLU 18 2HB GLU 18 -3.232 12.807 -8.355 123 HG2 GLU 18 1HG GLU 18 -4.012 15.072 -9.200 124 HG3 GLU 18 2HG GLU 18 -3.817 15.688 -7.553 125 H GLU 19 H GLU 19 -6.228 12.553 -5.348 126 HA GLU 19 HA GLU 19 -5.601 9.659 -5.404 127 HB2 GLU 19 1HB GLU 19 -6.660 11.607 -3.340 128 HB3 GLU 19 2HB GLU 19 -6.817 9.889 -3.102 129 HG2 GLU 19 1HG GLU 19 -4.178 11.322 -3.625 130 HG3 GLU 19 2HG GLU 19 -4.834 10.994 -2.013 131 H LEU 20 H LEU 20 -8.373 11.834 -4.943 132 HA LEU 20 HA LEU 20 -10.446 9.902 -4.971 133 HB2 LEU 20 1HB LEU 20 -10.511 12.803 -5.872 134 HB3 LEU 20 2HB LEU 20 -11.910 11.878 -5.359 135 HG LEU 20 HG LEU 20 -9.592 12.212 -3.413 136 HD11 LEU 20 1HD1 LEU 20 -10.045 14.393 -4.448 137 HD12 LEU 20 2HD1 LEU 20 -11.729 14.301 -3.885 138 HD13 LEU 20 3HD1 LEU 20 -10.379 14.344 -2.705 139 HD21 LEU 20 3HD2 LEU 20 -11.311 12.035 -1.743 140 HD22 LEU 20 1HD2 LEU 20 -12.597 12.086 -2.971 141 HD23 LEU 20 2HD2 LEU 20 -11.497 10.690 -2.876 142 H LYS 21 H LYS 21 -9.307 12.020 -7.627 143 HA LYS 21 HA LYS 21 -10.888 10.742 -9.678 144 HB2 LYS 21 1HB LYS 21 -8.455 12.521 -9.744 145 HB3 LYS 21 2HB LYS 21 -9.033 11.785 -11.212 146 HG2 LYS 21 1HG LYS 21 -9.871 14.092 -10.863 147 HG3 LYS 21 2HG LYS 21 -11.102 12.878 -11.201 148 HD2 LYS 21 1HD LYS 21 -11.848 12.861 -8.897 149 HD3 LYS 21 2HD LYS 21 -10.493 13.893 -8.403 150 HE2 LYS 21 1HE LYS 21 -11.348 15.714 -9.864 151 HE3 LYS 21 2HE LYS 21 -12.683 14.678 -10.384 152 HZ1 LYS 21 3HZ LYS 21 -13.372 16.186 -8.625 153 HZ2 LYS 21 1HZ LYS 21 -13.474 14.651 -8.082 154 HZ3 LYS 21 2HZ LYS 21 -12.238 15.612 -7.600 155 H ALA 22 H ALA 22 -8.139 9.463 -8.091 156 HA ALA 22 HA ALA 22 -7.565 7.520 -10.279 157 HB1 ALA 22 1HB ALA 22 -5.650 8.507 -9.117 158 HB2 ALA 22 2HB ALA 22 -6.250 7.936 -7.551 159 HB3 ALA 22 3HB ALA 22 -5.748 6.769 -8.789 160 H ALA 23 H ALA 23 -8.534 7.405 -6.804 161 HA ALA 23 HA ALA 23 -9.183 4.568 -7.019 162 HB1 ALA 23 1HB ALA 23 -8.018 5.528 -5.072 163 HB2 ALA 23 2HB ALA 23 -9.423 6.557 -4.714 164 HB3 ALA 23 3HB ALA 23 -9.557 4.790 -4.586 165 H SER 24 H SER 24 -11.150 7.545 -6.554 166 HA SER 24 HA SER 24 -13.621 6.000 -6.175 167 HB2 SER 24 1HB SER 24 -13.022 8.238 -5.090 168 HB3 SER 24 2HB SER 24 -13.415 8.984 -6.648 169 HG SER 24 HG SER 24 -15.536 8.126 -6.454 170 H ARG 25 H ARG 25 -11.980 7.521 -8.880 171 HA ARG 25 HA ARG 25 -14.156 7.308 -10.773 172 HB2 ARG 25 1HB ARG 25 -12.088 8.740 -10.968 173 HB3 ARG 25 2HB ARG 25 -11.168 7.273 -11.299 174 HG2 ARG 25 1HG ARG 25 -11.699 8.466 -13.343 175 HG3 ARG 25 2HG ARG 25 -12.481 6.888 -13.355 176 HD2 ARG 25 1HD ARG 25 -14.641 7.931 -12.787 177 HD3 ARG 25 2HD ARG 25 -13.850 9.517 -12.627 178 HE ARG 25 HE ARG 25 -13.293 8.474 -15.212 179 HH11 ARG 25 1HH1 ARG 25 -16.085 9.752 -13.450 180 HH12 ARG 25 2HH1 ARG 25 -16.868 10.296 -14.905 181 HH21 ARG 25 1HH2 ARG 25 -14.357 9.201 -17.047 182 HH22 ARG 25 2HH2 ARG 25 -15.900 9.986 -16.911 183 H GLY 26 H GLY 26 -11.819 5.057 -9.472 184 HA2 GLY 26 1HA GLY 26 -12.297 2.873 -11.378 185 HA3 GLY 26 2HA GLY 26 -11.388 2.799 -9.848 186 H ASN 27 H ASN 27 -12.869 3.159 -7.852 187 HA ASN 27 HA ASN 27 -15.603 2.162 -8.059 188 HB2 ASN 27 1HB ASN 27 -14.241 0.067 -8.348 189 HB3 ASN 27 2HB ASN 27 -13.526 0.358 -6.767 190 HD21 ASN 27 2HD2 ASN 27 -14.353 -1.426 -5.685 191 HD22 ASN 27 1HD2 ASN 27 -16.078 -1.672 -5.421 192 H GLY 28 H GLY 28 -12.962 3.340 -6.053 193 HA2 GLY 28 1HA GLY 28 -13.248 4.862 -4.261 194 HA3 GLY 28 2HA GLY 28 -14.880 4.227 -3.942 195 H GLU 29 H GLU 29 -13.007 1.572 -4.364 196 HA GLU 29 HA GLU 29 -12.383 1.172 -1.501 197 HB2 GLU 29 1HB GLU 29 -13.143 -0.540 -3.716 198 HB3 GLU 29 2HB GLU 29 -11.549 -0.985 -3.160 199 HG2 GLU 29 1HG GLU 29 -13.285 -2.269 -1.963 200 HG3 GLU 29 2HG GLU 29 -12.382 -1.246 -0.850 201 H TYR 30 H TYR 30 -10.244 -0.165 -1.215 202 HA TYR 30 HA TYR 30 -8.008 0.348 -2.901 203 HB2 TYR 30 1HB TYR 30 -6.727 1.861 -1.493 204 HB3 TYR 30 2HB TYR 30 -8.163 2.645 -2.093 205 HD1 TYR 30 2HD TYR 30 -10.259 2.683 -0.519 206 HD2 TYR 30 1HD TYR 30 -6.255 1.819 0.838 207 HE1 TYR 30 2HE TYR 30 -10.894 3.374 1.793 208 HE2 TYR 30 1HE TYR 30 -6.882 2.507 3.134 209 HH TYR 30 HH TYR 30 -8.542 3.321 4.515 210 H ALA 31 H ALA 31 -6.119 -0.655 -2.243 211 HA ALA 31 HA ALA 31 -5.899 -1.994 0.381 212 HB1 ALA 31 1HB ALA 31 -7.129 -3.695 -0.665 213 HB2 ALA 31 2HB ALA 31 -6.380 -3.431 -2.256 214 HB3 ALA 31 3HB ALA 31 -5.463 -4.202 -0.934 215 H TRP 32 H TRP 32 -3.841 -2.571 0.940 216 HA TRP 32 HA TRP 32 -1.604 -1.580 -0.745 217 HB2 TRP 32 1HB TRP 32 -1.846 -2.411 2.165 218 HB3 TRP 32 2HB TRP 32 -0.303 -2.155 1.367 219 HD1 TRP 32 HD TRP 32 -3.382 -0.125 2.403 220 HE1 TRP 32 1HE TRP 32 -2.666 2.321 2.683 221 HE3 TRP 32 3HE TRP 32 1.417 -0.479 0.608 222 HZ2 TRP 32 2HZ TRP 32 -0.258 3.916 2.255 223 HZ3 TRP 32 3HZ TRP 32 2.833 1.550 0.459 224 HH2 TRP 32 HH TRP 32 2.006 3.715 1.294 225 H TYR 33 H TYR 33 0.077 -2.811 -1.413 226 HA TYR 33 HA TYR 33 0.048 -5.763 -1.017 227 HB2 TYR 33 1HB TYR 33 0.120 -4.242 -3.641 228 HB3 TYR 33 2HB TYR 33 0.692 -5.890 -3.503 229 HD1 TYR 33 2HD TYR 33 -2.365 -3.756 -3.087 230 HD2 TYR 33 1HD TYR 33 -0.767 -7.706 -3.754 231 HE1 TYR 33 2HE TYR 33 -4.653 -4.603 -3.536 232 HE2 TYR 33 1HE TYR 33 -3.053 -8.555 -4.219 233 HH TYR 33 HH TYR 33 -5.288 -8.028 -4.405 234 H TYR 34 H TYR 34 2.038 -6.809 -1.417 235 HA TYR 34 HA TYR 34 4.483 -5.160 -1.815 236 HB2 TYR 34 1HB TYR 34 5.623 -6.222 0.001 237 HB3 TYR 34 2HB TYR 34 4.159 -5.484 0.616 238 HD1 TYR 34 1HD TYR 34 2.184 -6.936 1.252 239 HD2 TYR 34 2HD TYR 34 6.008 -8.606 0.162 240 HE1 TYR 34 1HE TYR 34 1.510 -9.105 2.244 241 HE2 TYR 34 2HE TYR 34 5.342 -10.782 1.163 242 HH TYR 34 HH TYR 34 2.124 -11.285 2.675 243 H GLU 35 H GLU 35 6.246 -6.319 -2.800 244 HA GLU 35 HA GLU 35 5.480 -8.796 -4.222 245 HB2 GLU 35 1HB GLU 35 8.060 -7.190 -4.241 246 HB3 GLU 35 2HB GLU 35 7.823 -8.733 -5.072 247 HG2 GLU 35 1HG GLU 35 5.740 -7.597 -6.158 248 HG3 GLU 35 2HG GLU 35 6.504 -6.083 -5.652 249 H GLY 36 H GLY 36 5.584 -10.682 -3.326 250 HA2 GLY 36 1HA GLY 36 7.636 -11.386 -1.245 251 HA3 GLY 36 2HA GLY 36 6.149 -12.284 -1.606 252 H ARG 37 H ARG 37 7.447 -14.173 -1.821 253 HA ARG 37 HA ARG 37 9.600 -14.489 -3.639 254 HB2 ARG 37 1HB ARG 37 9.027 -15.958 -1.708 255 HB3 ARG 37 2HB ARG 37 7.635 -16.571 -2.603 256 HG2 ARG 37 1HG ARG 37 9.241 -17.428 -4.378 257 HG3 ARG 37 2HG ARG 37 10.581 -16.839 -3.382 258 HD2 ARG 37 1HD ARG 37 10.327 -19.200 -2.997 259 HD3 ARG 37 2HD ARG 37 9.803 -18.352 -1.531 260 HE ARG 37 HE ARG 37 7.565 -18.789 -3.283 261 HH11 ARG 37 1HH1 ARG 37 9.615 -20.687 -1.107 262 HH12 ARG 37 2HH1 ARG 37 8.361 -21.857 -0.820 263 HH21 ARG 37 1HH2 ARG 37 6.024 -20.277 -2.869 264 HH22 ARG 37 2HH2 ARG 37 6.335 -21.632 -1.819 265 H ASN 38 H ASN 38 6.125 -15.131 -4.115 266 HA ASN 38 HA ASN 38 6.611 -15.983 -6.918 267 HB2 ASN 38 1HB ASN 38 4.342 -16.479 -4.972 268 HB3 ASN 38 2HB ASN 38 4.283 -16.951 -6.667 269 HD21 ASN 38 2HD2 ASN 38 5.500 -18.767 -7.366 270 HD22 ASN 38 1HD2 ASN 38 6.342 -19.784 -6.212 271 H GLY 39 H GLY 39 5.516 -13.122 -5.452 272 HA2 GLY 39 1HA GLY 39 5.161 -11.523 -7.573 273 HA3 GLY 39 2HA GLY 39 3.613 -12.355 -7.586 274 H TRP 40 H TRP 40 2.766 -10.151 -7.272 275 HA TRP 40 HA TRP 40 3.074 -8.760 -4.765 276 HB2 TRP 40 1HB TRP 40 0.859 -8.640 -6.839 277 HB3 TRP 40 2HB TRP 40 1.088 -7.507 -5.519 278 HD1 TRP 40 HD TRP 40 2.257 -8.291 -8.990 279 HE1 TRP 40 1HE TRP 40 3.880 -6.506 -9.829 280 HE3 TRP 40 3HE TRP 40 3.034 -5.778 -4.592 281 HZ2 TRP 40 2HZ TRP 40 5.231 -4.173 -8.767 282 HZ3 TRP 40 3HZ TRP 40 4.485 -3.769 -4.547 283 HH2 TRP 40 HH TRP 40 5.569 -2.941 -6.625 284 H TRP 41 H TRP 41 2.086 -9.050 -2.871 285 HA TRP 41 HA TRP 41 -0.380 -10.719 -2.650 286 HB2 TRP 41 1HB TRP 41 2.064 -10.769 -0.837 287 HB3 TRP 41 2HB TRP 41 0.562 -11.659 -0.568 288 HD1 TRP 41 HD TRP 41 3.868 -12.283 -1.796 289 HE1 TRP 41 1HE TRP 41 4.012 -14.210 -3.486 290 HE3 TRP 41 3HE TRP 41 -1.119 -12.866 -2.793 291 HZ2 TRP 41 2HZ TRP 41 2.218 -15.618 -5.259 292 HZ3 TRP 41 3HZ TRP 41 -1.873 -14.455 -4.506 293 HH2 TRP 41 HH TRP 41 -0.222 -15.847 -5.765 294 H GLN 42 H GLN 42 -1.889 -10.067 -1.153 295 HA GLN 42 HA GLN 42 -1.829 -7.210 -0.552 296 HB2 GLN 42 1HB GLN 42 -3.808 -8.586 -1.467 297 HB3 GLN 42 2HB GLN 42 -3.998 -9.211 0.174 298 HG2 GLN 42 1HG GLN 42 -4.235 -6.816 0.975 299 HG3 GLN 42 2HG GLN 42 -4.139 -6.290 -0.707 300 HE21 GLN 42 2HE2 GLN 42 -5.968 -6.918 -2.186 301 HE22 GLN 42 1HE2 GLN 42 -7.510 -7.326 -1.451 302 H TYR 43 H TYR 43 -1.755 -6.220 1.450 303 HA TYR 43 HA TYR 43 -0.679 -7.662 3.739 304 HB2 TYR 43 1HB TYR 43 -1.624 -4.830 3.230 305 HB3 TYR 43 2HB TYR 43 -1.203 -5.369 4.844 306 HD1 TYR 43 1HD TYR 43 1.104 -6.254 5.346 307 HD2 TYR 43 2HD TYR 43 0.124 -4.283 1.659 308 HE1 TYR 43 1HE TYR 43 3.493 -5.654 5.039 309 HE2 TYR 43 2HE TYR 43 2.507 -3.638 1.346 310 HH TYR 43 HH TYR 43 4.606 -3.742 2.211 311 H ASP 44 H ASP 44 -1.591 -7.766 5.842 312 HA ASP 44 HA ASP 44 -4.458 -8.406 5.987 313 HB2 ASP 44 1HB ASP 44 -2.467 -9.546 7.205 314 HB3 ASP 44 2HB ASP 44 -2.564 -8.204 8.341 315 H GLU 45 H GLU 45 -5.818 -7.404 7.609 316 HA GLU 45 HA GLU 45 -5.898 -4.519 7.201 317 HB2 GLU 45 1HB GLU 45 -8.009 -4.596 8.435 318 HB3 GLU 45 2HB GLU 45 -7.953 -5.747 7.102 319 HG2 GLU 45 1HG GLU 45 -7.577 -7.605 8.660 320 HG3 GLU 45 2HG GLU 45 -7.473 -6.484 10.019 321 H ARG 46 H ARG 46 -4.621 -6.511 9.724 322 HA ARG 46 HA ARG 46 -4.540 -4.541 11.860 323 HB2 ARG 46 1HB ARG 46 -2.768 -6.959 11.273 324 HB3 ARG 46 2HB ARG 46 -2.604 -5.917 12.684 325 HG2 ARG 46 1HG ARG 46 -3.837 -7.661 13.491 326 HG3 ARG 46 2HG ARG 46 -5.051 -6.396 13.195 327 HD2 ARG 46 1HD ARG 46 -5.771 -7.530 11.153 328 HD3 ARG 46 2HD ARG 46 -4.420 -8.670 11.298 329 HE ARG 46 HE ARG 46 -6.036 -8.827 13.637 330 HH11 ARG 46 1HH1 ARG 46 -6.182 -9.690 10.201 331 HH12 ARG 46 2HH1 ARG 46 -7.345 -10.959 10.477 332 HH21 ARG 46 1HH2 ARG 46 -7.526 -10.496 13.922 333 HH22 ARG 46 2HH2 ARG 46 -8.089 -11.411 12.556 334 H THR 47 H THR 47 -2.592 -5.351 9.163 335 HA THR 47 HA THR 47 -0.328 -3.582 9.787 336 HB THR 47 HB THR 47 -0.778 -5.517 7.480 337 HG1 THR 47 1HG THR 47 0.583 -6.813 8.833 338 HG21 THR 47 3HG2 THR 47 1.771 -5.431 7.460 339 HG22 THR 47 1HG2 THR 47 0.957 -3.972 6.863 340 HG23 THR 47 2HG2 THR 47 1.643 -3.985 8.495 341 H SER 48 H SER 48 -2.624 -3.880 6.987 342 HA SER 48 HA SER 48 -1.484 -1.707 5.552 343 HB2 SER 48 1HB SER 48 -3.559 -1.701 4.249 344 HB3 SER 48 2HB SER 48 -2.910 -3.333 4.475 345 HG SER 48 HG SER 48 -5.202 -3.219 4.834 346 H ARG 49 H ARG 49 -3.861 -1.638 8.188 347 HA ARG 49 HA ARG 49 -4.688 1.032 7.882 348 HB2 ARG 49 1HB ARG 49 -5.572 0.951 10.010 349 HB3 ARG 49 2HB ARG 49 -5.687 -0.671 9.377 350 HG2 ARG 49 1HG ARG 49 -5.001 -1.054 11.539 351 HG3 ARG 49 2HG ARG 49 -3.512 -1.187 10.634 352 HD2 ARG 49 1HD ARG 49 -3.381 0.025 12.882 353 HD3 ARG 49 2HD ARG 49 -2.646 0.815 11.519 354 HE ARG 49 HE ARG 49 -5.411 1.601 12.248 355 HH11 ARG 49 1HH1 ARG 49 -1.967 2.556 12.410 356 HH12 ARG 49 2HH1 ARG 49 -2.408 4.261 12.295 357 HH21 ARG 49 1HH2 ARG 49 -5.785 3.857 12.260 358 HH22 ARG 49 2HH2 ARG 49 -4.404 4.934 12.315 359 H GLU 50 H GLU 50 -1.598 -0.213 9.070 360 HA GLU 50 HA GLU 50 -0.800 2.263 10.384 361 HB2 GLU 50 1HB GLU 50 0.946 0.021 9.295 362 HB3 GLU 50 2HB GLU 50 1.452 1.262 10.425 363 HG2 GLU 50 1HG GLU 50 -0.717 -0.786 11.086 364 HG3 GLU 50 2HG GLU 50 0.993 -1.053 11.359 365 H LEU 51 H LEU 51 -0.597 0.939 7.145 366 HA LEU 51 HA LEU 51 1.410 2.786 6.144 367 HB2 LEU 51 1HB LEU 51 -0.418 0.889 4.619 368 HB3 LEU 51 2HB LEU 51 1.129 1.544 4.089 369 HG LEU 51 HG LEU 51 0.724 -0.471 6.348 370 HD11 LEU 51 1HD1 LEU 51 0.250 -1.345 4.100 371 HD12 LEU 51 2HD1 LEU 51 1.861 -0.827 3.554 372 HD13 LEU 51 3HD1 LEU 51 1.698 -2.079 4.812 373 HD21 LEU 51 3HD2 LEU 51 3.217 -0.680 6.248 374 HD22 LEU 51 1HD2 LEU 51 3.254 0.735 5.169 375 HD23 LEU 51 2HD2 LEU 51 2.681 0.893 6.842 376 H GLU 52 H GLU 52 -2.110 2.349 5.636 377 HA GLU 52 HA GLU 52 -2.408 4.640 3.941 378 HB2 GLU 52 1HB GLU 52 -4.764 4.363 4.164 379 HB3 GLU 52 2HB GLU 52 -4.036 2.756 4.091 380 HG2 GLU 52 1HG GLU 52 -4.191 2.615 6.578 381 HG3 GLU 52 2HG GLU 52 -4.992 4.180 6.620 382 H ASP 53 H ASP 53 -2.164 4.420 7.416 383 HA ASP 53 HA ASP 53 -3.374 7.024 7.980 384 HB2 ASP 53 1HB ASP 53 -3.381 4.958 9.421 385 HB3 ASP 53 2HB ASP 53 -1.670 5.197 9.729 386 H ALA 54 H ALA 54 -0.167 5.643 7.667 387 HA ALA 54 HA ALA 54 1.405 7.746 8.693 388 HB1 ALA 54 1HB ALA 54 2.276 5.558 8.388 389 HB2 ALA 54 2HB ALA 54 1.981 5.593 6.633 390 HB3 ALA 54 3HB ALA 54 3.233 6.634 7.349 391 H PHE 55 H PHE 55 0.538 7.291 5.190 392 HA PHE 55 HA PHE 55 1.821 9.781 4.457 393 HB2 PHE 55 1HB PHE 55 1.008 9.480 2.308 394 HB3 PHE 55 2HB PHE 55 1.394 7.883 2.893 395 HD1 PHE 55 1HD PHE 55 -1.452 10.240 2.293 396 HD2 PHE 55 2HD PHE 55 -0.220 6.141 2.749 397 HE1 PHE 55 1HE PHE 55 -3.666 9.487 1.455 398 HE2 PHE 55 2HE PHE 55 -2.412 5.387 1.839 399 HZ PHE 55 HZ PHE 55 -4.144 7.058 1.219 400 H SER 56 H SER 56 -1.187 9.045 5.880 401 HA SER 56 HA SER 56 -2.515 11.599 5.242 402 HB2 SER 56 1HB SER 56 -3.591 9.273 5.698 403 HB3 SER 56 2HB SER 56 -3.356 9.664 7.403 404 HG SER 56 HG SER 56 -5.426 10.340 6.614 405 H LYS 57 H LYS 57 -0.556 10.284 7.902 406 HA LYS 57 HA LYS 57 -0.967 12.520 9.734 407 HB2 LYS 57 1HB LYS 57 1.004 10.220 9.525 408 HB3 LYS 57 2HB LYS 57 1.119 11.440 10.795 409 HG2 LYS 57 1HG LYS 57 -0.828 10.755 11.873 410 HG3 LYS 57 2HG LYS 57 -1.516 10.012 10.427 411 HD2 LYS 57 1HD LYS 57 -0.786 8.284 12.035 412 HD3 LYS 57 2HD LYS 57 0.056 8.189 10.501 413 HE2 LYS 57 1HE LYS 57 1.849 7.915 11.875 414 HE3 LYS 57 2HE LYS 57 1.908 9.657 11.685 415 HZ1 LYS 57 3HZ LYS 57 2.078 9.068 14.031 416 HZ2 LYS 57 1HZ LYS 57 0.682 9.880 13.792 417 HZ3 LYS 57 2HZ LYS 57 0.658 8.259 13.991 418 H GLY 58 H GLY 58 1.594 11.603 7.407 419 HA2 GLY 58 1HA GLY 58 2.537 13.513 6.091 420 HA3 GLY 58 2HA GLY 58 2.810 14.346 7.638 421 H LYS 59 H LYS 59 3.481 11.187 8.397 422 HA LYS 59 HA LYS 59 6.335 11.535 8.152 423 HB2 LYS 59 1HB LYS 59 6.412 9.120 8.906 424 HB3 LYS 59 2HB LYS 59 5.662 10.260 10.009 425 HG2 LYS 59 1HG LYS 59 3.458 9.498 9.526 426 HG3 LYS 59 2HG LYS 59 4.012 8.642 8.079 427 HD2 LYS 59 1HD LYS 59 3.483 7.115 9.963 428 HD3 LYS 59 2HD LYS 59 5.126 6.978 9.384 429 HE2 LYS 59 1HE LYS 59 5.928 8.375 11.289 430 HE3 LYS 59 2HE LYS 59 4.274 8.472 11.897 431 HZ1 LYS 59 3HZ LYS 59 5.479 6.699 13.004 432 HZ2 LYS 59 1HZ LYS 59 4.323 6.001 12.077 433 HZ3 LYS 59 2HZ LYS 59 5.878 5.991 11.590 434 H LYS 60 H LYS 60 7.798 10.331 6.980 435 HA LYS 60 HA LYS 60 6.877 9.635 4.235 436 HB2 LYS 60 1HB LYS 60 8.955 10.346 3.464 437 HB3 LYS 60 2HB LYS 60 8.479 11.499 4.697 438 HG2 LYS 60 1HG LYS 60 9.986 10.151 6.308 439 HG3 LYS 60 2HG LYS 60 10.634 9.388 4.846 440 HD2 LYS 60 1HD LYS 60 11.133 11.749 3.973 441 HD3 LYS 60 2HD LYS 60 10.590 12.360 5.536 442 HE2 LYS 60 1HE LYS 60 12.840 12.286 5.952 443 HE3 LYS 60 2HE LYS 60 12.375 10.685 6.532 444 HZ1 LYS 60 3HZ LYS 60 14.287 10.481 5.107 445 HZ2 LYS 60 1HZ LYS 60 13.029 9.866 4.239 446 HZ3 LYS 60 2HZ LYS 60 13.592 11.347 3.906 447 H ASN 61 H ASN 61 7.407 7.924 6.939 448 HA ASN 61 HA ASN 61 7.471 5.417 5.666 449 HB2 ASN 61 1HB ASN 61 9.606 4.497 6.425 450 HB3 ASN 61 2HB ASN 61 9.906 5.829 5.329 451 HD21 ASN 61 2HD2 ASN 61 10.437 7.939 6.319 452 HD22 ASN 61 1HD2 ASN 61 11.317 7.963 7.842 453 H THR 62 H THR 62 7.288 3.690 7.200 454 HA THR 62 HA THR 62 6.676 4.357 10.014 455 HB THR 62 HB THR 62 4.688 4.985 8.577 456 HG1 THR 62 1HG THR 62 3.334 3.944 10.192 457 HG21 THR 62 3HG2 THR 62 3.148 3.204 7.952 458 HG22 THR 62 1HG2 THR 62 4.680 2.958 7.103 459 HG23 THR 62 2HG2 THR 62 4.275 1.953 8.512 460 H GLU 63 H GLU 63 5.678 2.310 11.099 461 HA GLU 63 HA GLU 63 7.464 0.013 10.374 462 HB2 GLU 63 1HB GLU 63 6.842 1.313 13.049 463 HB3 GLU 63 2HB GLU 63 7.561 -0.294 12.902 464 HG2 GLU 63 1HG GLU 63 9.454 0.586 11.672 465 HG3 GLU 63 2HG GLU 63 8.778 2.210 11.665 466 H MET 64 H MET 64 6.783 -2.027 10.741 467 HA MET 64 HA MET 64 4.079 -2.618 11.766 468 HB2 MET 64 1HB MET 64 3.564 -3.855 9.630 469 HB3 MET 64 2HB MET 64 3.513 -2.096 9.516 470 HG2 MET 64 1HG MET 64 5.707 -2.052 8.446 471 HG3 MET 64 2HG MET 64 5.911 -3.786 8.709 472 HE1 MET 64 3HE MET 64 5.875 -3.619 4.926 473 HE2 MET 64 1HE MET 64 6.809 -3.037 6.314 474 HE3 MET 64 2HE MET 64 6.304 -4.745 6.225 475 H LEU 65 H LEU 65 3.716 -4.726 12.263 476 HA LEU 65 HA LEU 65 6.073 -6.518 12.451 477 HB2 LEU 65 1HB LEU 65 4.320 -5.607 14.429 478 HB3 LEU 65 2HB LEU 65 3.590 -7.131 13.995 479 HG LEU 65 HG LEU 65 5.032 -7.374 15.888 480 HD11 LEU 65 1HD1 LEU 65 4.970 -9.304 14.370 481 HD12 LEU 65 2HD1 LEU 65 6.452 -8.716 13.578 482 HD13 LEU 65 3HD1 LEU 65 6.487 -9.193 15.279 483 HD21 LEU 65 3HD2 LEU 65 7.397 -6.868 15.901 484 HD22 LEU 65 1HD2 LEU 65 7.362 -6.438 14.180 485 HD23 LEU 65 2HD2 LEU 65 6.492 -5.435 15.359 486 H ILE 66 H ILE 66 5.975 -8.527 11.727 487 HA ILE 66 HA ILE 66 3.569 -9.434 10.144 488 HB ILE 66 HB ILE 66 4.933 -10.312 8.451 489 HG12 ILE 66 1HG1 ILE 66 7.524 -9.134 9.097 490 HG13 ILE 66 2HG1 ILE 66 7.066 -10.227 10.374 491 HG21 ILE 66 1HG2 ILE 66 4.219 -7.936 8.339 492 HG22 ILE 66 2HG2 ILE 66 5.810 -7.441 8.946 493 HG23 ILE 66 3HG2 ILE 66 5.668 -8.300 7.400 494 HD11 ILE 66 3HD1 ILE 66 8.370 -11.258 8.441 495 HD12 ILE 66 1HD1 ILE 66 6.904 -12.106 8.926 496 HD13 ILE 66 2HD1 ILE 66 6.890 -11.099 7.474 497 H ALA 67 H ALA 67 4.803 -11.980 9.462 498 HA ALA 67 HA ALA 67 3.861 -13.634 11.515 499 HB1 ALA 67 1HB ALA 67 4.155 -14.216 9.102 500 HB2 ALA 67 2HB ALA 67 5.922 -14.187 9.325 501 HB3 ALA 67 3HB ALA 67 4.942 -15.405 10.165 502 H GLY 68 H GLY 68 6.942 -12.031 11.475 503 HA2 GLY 68 1HA GLY 68 7.649 -12.961 14.073 504 HA3 GLY 68 2HA GLY 68 8.556 -13.893 12.903 505 H PHE 69 H PHE 69 7.926 -10.527 12.076 506 HA PHE 69 HA PHE 69 10.640 -9.652 12.845 507 HB2 PHE 69 1HB PHE 69 9.731 -9.952 9.949 508 HB3 PHE 69 2HB PHE 69 11.163 -9.094 10.456 509 HD1 PHE 69 2HD PHE 69 13.140 -10.287 11.358 510 HD2 PHE 69 1HD PHE 69 9.700 -12.422 9.864 511 HE1 PHE 69 2HE PHE 69 14.494 -12.358 11.186 512 HE2 PHE 69 1HE PHE 69 11.059 -14.486 9.692 513 HZ PHE 69 HZ PHE 69 13.458 -14.460 10.350 514 H LEU 70 H LEU 70 11.017 -7.438 12.564 515 HA LEU 70 HA LEU 70 8.621 -5.689 12.237 516 HB2 LEU 70 1HB LEU 70 10.222 -5.535 14.278 517 HB3 LEU 70 2HB LEU 70 11.412 -4.926 13.143 518 HG LEU 70 HG LEU 70 10.513 -3.095 14.322 519 HD11 LEU 70 1HD1 LEU 70 10.774 -2.748 11.801 520 HD12 LEU 70 2HD1 LEU 70 8.995 -2.830 11.727 521 HD13 LEU 70 3HD1 LEU 70 9.781 -1.580 12.684 522 HD21 LEU 70 3HD2 LEU 70 8.109 -2.497 14.359 523 HD22 LEU 70 1HD2 LEU 70 7.723 -4.020 13.531 524 HD23 LEU 70 2HD2 LEU 70 8.444 -4.044 15.156 525 H TYR 71 H TYR 71 8.361 -4.738 10.379 526 HA TYR 71 HA TYR 71 10.687 -4.207 8.572 527 HB2 TYR 71 1HB TYR 71 7.857 -4.897 7.800 528 HB3 TYR 71 2HB TYR 71 9.102 -4.367 6.672 529 HD1 TYR 71 1HD TYR 71 11.459 -6.057 7.770 530 HD2 TYR 71 2HD TYR 71 7.355 -6.999 6.856 531 HE1 TYR 71 1HE TYR 71 12.063 -8.449 7.452 532 HE2 TYR 71 2HE TYR 71 7.940 -9.372 6.621 533 HH TYR 71 HH TYR 71 9.677 -10.952 6.587 534 H VAL 72 H VAL 72 10.911 -2.282 7.746 535 HA VAL 72 HA VAL 72 9.198 -0.037 8.647 536 HB VAL 72 HB VAL 72 11.899 0.037 7.264 537 HG11 VAL 72 1HG1 VAL 72 10.564 2.108 6.943 538 HG12 VAL 72 2HG1 VAL 72 10.332 2.229 8.703 539 HG13 VAL 72 3HG1 VAL 72 11.951 2.402 8.000 540 HG21 VAL 72 3HG2 VAL 72 12.843 0.673 9.461 541 HG22 VAL 72 1HG2 VAL 72 11.275 0.327 10.223 542 HG23 VAL 72 2HG2 VAL 72 12.211 -0.975 9.454 543 H ALA 73 H ALA 73 7.718 0.651 7.196 544 HA ALA 73 HA ALA 73 7.932 -0.042 4.297 545 HB1 ALA 73 1HB ALA 73 5.854 -0.729 5.427 546 HB2 ALA 73 2HB ALA 73 5.587 0.940 5.974 547 HB3 ALA 73 3HB ALA 73 5.535 0.548 4.240 548 H ASP 74 H ASP 74 8.476 1.461 2.906 549 HA ASP 74 HA ASP 74 9.033 4.229 3.838 550 HB2 ASP 74 1HB ASP 74 10.890 2.682 3.258 551 HB3 ASP 74 2HB ASP 74 10.237 2.510 1.635 552 H LEU 75 H LEU 75 7.539 5.665 3.188 553 HA LEU 75 HA LEU 75 5.837 5.279 0.856 554 HB2 LEU 75 1HB LEU 75 6.162 7.447 2.967 555 HB3 LEU 75 2HB LEU 75 5.090 7.657 1.609 556 HG LEU 75 HG LEU 75 4.766 5.235 3.425 557 HD11 LEU 75 1HD1 LEU 75 4.645 7.152 4.925 558 HD12 LEU 75 2HD1 LEU 75 3.580 8.022 3.795 559 HD13 LEU 75 3HD1 LEU 75 3.004 6.553 4.604 560 HD21 LEU 75 3HD2 LEU 75 2.437 5.439 2.597 561 HD22 LEU 75 1HD2 LEU 75 2.936 6.781 1.546 562 HD23 LEU 75 2HD2 LEU 75 3.624 5.163 1.299 563 H GLU 76 H GLU 76 8.931 6.746 1.309 564 HA GLU 76 HA GLU 76 8.724 8.839 -0.682 565 HB2 GLU 76 1HB GLU 76 11.162 7.397 0.448 566 HB3 GLU 76 2HB GLU 76 11.194 8.826 -0.566 567 HG2 GLU 76 1HG GLU 76 9.912 10.020 1.236 568 HG3 GLU 76 2HG GLU 76 10.012 8.566 2.225 569 H ASN 77 H ASN 77 10.242 5.626 -0.673 570 HA ASN 77 HA ASN 77 10.663 5.662 -3.617 571 HB2 ASN 77 1HB ASN 77 11.757 3.876 -1.404 572 HB3 ASN 77 2HB ASN 77 12.242 3.828 -3.096 573 HD21 ASN 77 2HD2 ASN 77 12.309 5.846 -0.111 574 HD22 ASN 77 1HD2 ASN 77 13.728 6.755 -0.614 575 H MET 78 H MET 78 8.469 4.473 -1.384 576 HA MET 78 HA MET 78 6.876 2.839 -1.252 577 HB2 MET 78 1HB MET 78 7.014 2.803 -4.270 578 HB3 MET 78 2HB MET 78 5.742 2.105 -3.248 579 HG2 MET 78 1HG MET 78 6.165 4.931 -2.593 580 HG3 MET 78 2HG MET 78 5.916 4.718 -4.313 581 HE1 MET 78 3HE MET 78 2.888 3.809 -0.969 582 HE2 MET 78 1HE MET 78 4.441 2.955 -1.059 583 HE3 MET 78 2HE MET 78 4.403 4.719 -0.806 584 H VAL 79 H VAL 79 8.746 1.760 -0.245 585 HA VAL 79 HA VAL 79 8.983 -1.021 -1.235 586 HB VAL 79 HB VAL 79 11.421 -1.128 -0.702 587 HG11 VAL 79 1HG1 VAL 79 10.737 -0.978 -3.034 588 HG12 VAL 79 2HG1 VAL 79 10.821 0.801 -2.961 589 HG13 VAL 79 3HG1 VAL 79 12.286 -0.180 -2.744 590 HG21 VAL 79 3HG2 VAL 79 12.748 0.981 -0.636 591 HG22 VAL 79 1HG2 VAL 79 11.244 1.903 -0.549 592 HG23 VAL 79 2HG2 VAL 79 11.683 0.785 0.758 593 H GLN 80 H GLN 80 10.144 -2.401 0.580 594 HA GLN 80 HA GLN 80 10.013 -1.222 3.251 595 HB2 GLN 80 1HB GLN 80 8.501 -2.889 4.187 596 HB3 GLN 80 2HB GLN 80 7.726 -1.980 2.908 597 HG2 GLN 80 1HG GLN 80 7.009 -4.085 2.396 598 HG3 GLN 80 2HG GLN 80 8.390 -3.971 1.333 599 HE21 GLN 80 2HE2 GLN 80 8.025 -6.401 1.371 600 HE22 GLN 80 1HE2 GLN 80 8.666 -7.312 2.737 601 H TYR 81 H TYR 81 11.148 -2.299 4.841 602 HA TYR 81 HA TYR 81 12.944 -4.545 4.216 603 HB2 TYR 81 1HB TYR 81 14.947 -3.001 4.602 604 HB3 TYR 81 2HB TYR 81 14.148 -2.905 3.060 605 HD1 TYR 81 1HD TYR 81 14.284 -1.158 6.405 606 HD2 TYR 81 2HD TYR 81 13.379 -0.848 2.204 607 HE1 TYR 81 1HE TYR 81 14.104 1.300 6.627 608 HE2 TYR 81 2HE TYR 81 13.235 1.604 2.398 609 HH TYR 81 HH TYR 81 13.273 3.436 3.864 610 H ARG 82 H ARG 82 14.511 -4.966 6.072 611 HA ARG 82 HA ARG 82 13.253 -4.606 8.701 612 HB2 ARG 82 1HB ARG 82 15.930 -5.762 7.829 613 HB3 ARG 82 2HB ARG 82 15.436 -5.611 9.517 614 HG2 ARG 82 1HG ARG 82 13.398 -7.002 8.993 615 HG3 ARG 82 2HG ARG 82 14.062 -7.256 7.366 616 HD2 ARG 82 1HD ARG 82 14.588 -9.162 8.760 617 HD3 ARG 82 2HD ARG 82 16.082 -8.305 8.373 618 HE ARG 82 HE ARG 82 14.582 -8.054 10.966 619 HH11 ARG 82 1HH1 ARG 82 17.801 -8.247 9.376 620 HH12 ARG 82 2HH1 ARG 82 18.591 -8.253 10.919 621 HH21 ARG 82 1HH2 ARG 82 15.736 -7.993 12.854 622 HH22 ARG 82 2HH2 ARG 82 17.469 -8.057 12.829 623 H ARG 83 H ARG 83 13.986 -3.346 10.414 624 HA ARG 83 HA ARG 83 15.028 -0.768 10.049 625 HB2 ARG 83 1HB ARG 83 15.137 -2.624 12.463 626 HB3 ARG 83 2HB ARG 83 15.667 -0.941 12.511 627 HG2 ARG 83 1HG ARG 83 13.431 -0.141 11.938 628 HG3 ARG 83 2HG ARG 83 12.853 -1.803 11.746 629 HD2 ARG 83 1HD ARG 83 12.170 -0.904 13.930 630 HD3 ARG 83 2HD ARG 83 13.225 -2.294 14.097 631 HE ARG 83 HE ARG 83 14.993 -0.934 14.865 632 HH11 ARG 83 1HH1 ARG 83 12.032 1.030 14.519 633 HH12 ARG 83 2HH1 ARG 83 12.773 2.376 15.333 634 HH21 ARG 83 1HH2 ARG 83 15.814 0.828 15.936 635 HH22 ARG 83 2HH2 ARG 83 14.840 2.249 16.158 636 H ASN 84 H ASN 84 16.859 -3.759 10.581 637 HA ASN 84 HA ASN 84 19.376 -2.380 11.048 638 HB2 ASN 84 1HB ASN 84 18.714 -5.338 10.755 639 HB3 ASN 84 2HB ASN 84 20.240 -4.680 11.339 640 HD21 ASN 84 2HD2 ASN 84 20.351 -3.777 13.487 641 HD22 ASN 84 1HD2 ASN 84 19.029 -4.002 14.619 642 H GLU 85 H GLU 85 17.850 -3.299 8.088 643 HA GLU 85 HA GLU 85 20.288 -2.906 6.571 644 HB2 GLU 85 1HB GLU 85 20.455 -5.072 5.528 645 HB3 GLU 85 2HB GLU 85 20.643 -5.213 7.272 646 HG2 GLU 85 1HG GLU 85 18.070 -5.763 7.236 647 HG3 GLU 85 2HG GLU 85 18.354 -6.118 5.531 648 H HIS 86 H HIS 86 19.620 -1.561 5.113 649 HA HIS 86 HA HIS 86 16.928 -1.617 3.948 650 HB2 HIS 86 1HB HIS 86 17.640 0.462 2.905 651 HB3 HIS 86 2HB HIS 86 18.002 0.472 4.629 652 HD2 HIS 86 2HD HIS 86 19.682 0.541 1.194 653 HE1 HIS 86 1HE HIS 86 22.840 0.824 4.036 654 HE2 HIS 86 2HE HIS 86 22.252 0.971 1.559 655 H GLY 87 H GLY 87 20.018 -2.859 3.081 656 HA2 GLY 87 1HA GLY 87 19.809 -2.864 0.216 657 HA3 GLY 87 2HA GLY 87 20.902 -3.873 1.189 658 H ARG 88 H ARG 88 18.195 -4.852 2.499 659 HA ARG 88 HA ARG 88 17.614 -7.010 0.543 660 HB2 ARG 88 1HB ARG 88 16.885 -6.666 3.485 661 HB3 ARG 88 2HB ARG 88 16.454 -8.060 2.501 662 HG2 ARG 88 1HG ARG 88 19.276 -7.232 3.275 663 HG3 ARG 88 2HG ARG 88 18.337 -8.603 3.868 664 HD2 ARG 88 1HD ARG 88 18.240 -9.204 1.241 665 HD3 ARG 88 2HD ARG 88 19.699 -8.221 1.206 666 HE ARG 88 HE ARG 88 20.847 -9.864 2.435 667 HH11 ARG 88 1HH1 ARG 88 17.377 -10.747 2.395 668 HH12 ARG 88 2HH1 ARG 88 17.758 -12.348 3.006 669 HH21 ARG 88 1HH2 ARG 88 21.089 -12.046 3.253 670 HH22 ARG 88 2HH2 ARG 88 19.605 -12.993 3.437 671 H ARG 89 H ARG 89 16.454 -4.028 0.683 672 HA ARG 89 HA ARG 89 13.757 -4.176 1.309 673 HB2 ARG 89 1HB ARG 89 13.463 -2.083 0.109 674 HB3 ARG 89 2HB ARG 89 14.935 -2.082 1.066 675 HG2 ARG 89 1HG ARG 89 16.235 -2.603 -1.047 676 HG3 ARG 89 2HG ARG 89 14.719 -2.362 -1.950 677 HD2 ARG 89 1HD ARG 89 14.571 -0.066 -1.102 678 HD3 ARG 89 2HD ARG 89 16.047 -0.300 -0.147 679 HE ARG 89 HE ARG 89 16.609 -0.926 -2.862 680 HH11 ARG 89 1HH1 ARG 89 15.919 1.953 -0.919 681 HH12 ARG 89 2HH1 ARG 89 16.781 3.001 -2.006 682 HH21 ARG 89 1HH2 ARG 89 17.710 0.484 -4.213 683 HH22 ARG 89 2HH2 ARG 89 17.783 2.178 -3.839 684 H ARG 90 H ARG 90 11.863 -4.421 0.336 685 HA ARG 90 HA ARG 90 11.731 -5.617 -2.414 686 HB2 ARG 90 1HB ARG 90 10.064 -6.342 0.033 687 HB3 ARG 90 2HB ARG 90 9.832 -6.967 -1.605 688 HG2 ARG 90 1HG ARG 90 12.173 -7.920 -1.504 689 HG3 ARG 90 2HG ARG 90 12.242 -7.438 0.202 690 HD2 ARG 90 1HD ARG 90 10.221 -8.822 0.664 691 HD3 ARG 90 2HD ARG 90 10.201 -9.351 -1.021 692 HE ARG 90 HE ARG 90 11.881 -10.359 1.124 693 HH11 ARG 90 1HH1 ARG 90 11.894 -10.023 -2.417 694 HH12 ARG 90 2HH1 ARG 90 13.048 -11.315 -2.581 695 HH21 ARG 90 1HH2 ARG 90 13.242 -11.888 0.865 696 HH22 ARG 90 2HH2 ARG 90 13.853 -12.385 -0.707 697 H LYS 91 H LYS 91 9.999 -4.983 -3.684 698 HA LYS 91 HA LYS 91 9.035 -2.315 -3.350 699 HB2 LYS 91 1HB LYS 91 8.751 -4.587 -5.275 700 HB3 LYS 91 2HB LYS 91 7.448 -3.443 -5.318 701 HG2 LYS 91 1HG LYS 91 10.393 -2.767 -5.701 702 HG3 LYS 91 2HG LYS 91 9.206 -2.980 -6.986 703 HD2 LYS 91 1HD LYS 91 9.253 -0.769 -4.907 704 HD3 LYS 91 2HD LYS 91 9.578 -0.621 -6.629 705 HE2 LYS 91 1HE LYS 91 7.267 -1.093 -7.201 706 HE3 LYS 91 2HE LYS 91 6.884 -1.520 -5.526 707 HZ1 LYS 91 3HZ LYS 91 6.151 0.683 -5.926 708 HZ2 LYS 91 1HZ LYS 91 7.401 0.737 -4.873 709 HZ3 LYS 91 2HZ LYS 91 7.634 1.182 -6.445 710 H ILE 92 H ILE 92 7.074 -1.403 -2.922 711 HA ILE 92 HA ILE 92 4.745 -3.158 -2.327 712 HB ILE 92 HB ILE 92 3.994 -1.843 -0.492 713 HG12 ILE 92 1HG1 ILE 92 6.414 -0.107 -0.924 714 HG13 ILE 92 2HG1 ILE 92 4.732 0.348 -1.198 715 HG21 ILE 92 1HG2 ILE 92 5.640 -3.674 -0.034 716 HG22 ILE 92 2HG2 ILE 92 6.922 -2.446 0.046 717 HG23 ILE 92 3HG2 ILE 92 5.578 -2.415 1.207 718 HD11 ILE 92 3HD1 ILE 92 5.430 1.370 0.821 719 HD12 ILE 92 1HD1 ILE 92 4.350 0.027 1.287 720 HD13 ILE 92 2HD1 ILE 92 6.111 -0.138 1.459 721 H LYS 93 H LYS 93 2.682 -2.014 -2.496 722 HA LYS 93 HA LYS 93 2.570 0.458 -4.037 723 HB2 LYS 93 1HB LYS 93 1.528 -0.407 -6.015 724 HB3 LYS 93 2HB LYS 93 3.034 -1.292 -5.803 725 HG2 LYS 93 1HG LYS 93 1.823 -3.230 -4.911 726 HG3 LYS 93 2HG LYS 93 0.295 -2.338 -4.936 727 HD2 LYS 93 1HD LYS 93 0.351 -2.162 -7.359 728 HD3 LYS 93 2HD LYS 93 1.895 -3.046 -7.419 729 HE2 LYS 93 1HE LYS 93 0.897 -5.051 -6.561 730 HE3 LYS 93 2HE LYS 93 -0.568 -4.203 -6.046 731 HZ1 LYS 93 3HZ LYS 93 -0.838 -5.497 -8.124 732 HZ2 LYS 93 1HZ LYS 93 -1.245 -3.928 -8.278 733 HZ3 LYS 93 2HZ LYS 93 0.186 -4.478 -8.895 734 H ARG 94 H ARG 94 0.269 0.967 -4.652 735 HA ARG 94 HA ARG 94 -1.761 -0.178 -2.780 736 HB2 ARG 94 1HB ARG 94 -1.547 2.675 -3.814 737 HB3 ARG 94 2HB ARG 94 -2.972 1.994 -3.017 738 HG2 ARG 94 1HG ARG 94 -1.570 1.459 -1.012 739 HG3 ARG 94 2HG ARG 94 -0.204 2.303 -1.761 740 HD2 ARG 94 1HD ARG 94 -2.920 3.515 -1.103 741 HD3 ARG 94 2HD ARG 94 -1.461 3.718 -0.135 742 HE ARG 94 HE ARG 94 -0.471 4.699 -2.336 743 HH11 ARG 94 1HH1 ARG 94 -3.781 5.307 -1.196 744 HH12 ARG 94 2HH1 ARG 94 -3.854 6.846 -2.026 745 HH21 ARG 94 1HH2 ARG 94 -0.696 6.689 -3.380 746 HH22 ARG 94 2HH2 ARG 94 -2.195 7.581 -3.227 747 H ASP 95 H ASP 95 -3.649 -0.787 -3.680 748 HA ASP 95 HA ASP 95 -4.158 -0.440 -6.588 749 HB2 ASP 95 1HB ASP 95 -3.058 -2.806 -5.573 750 HB3 ASP 95 2HB ASP 95 -4.797 -3.128 -5.550 751 H ILE 96 H ILE 96 -6.393 -1.737 -6.973 752 HA ILE 96 HA ILE 96 -8.360 -0.645 -4.982 753 HB ILE 96 HB ILE 96 -8.501 -0.442 -7.997 754 HG12 ILE 96 1HG1 ILE 96 -6.816 1.127 -7.089 755 HG13 ILE 96 2HG1 ILE 96 -8.196 1.942 -7.799 756 HG21 ILE 96 1HG2 ILE 96 -10.748 -0.598 -7.139 757 HG22 ILE 96 2HG2 ILE 96 -10.395 0.469 -5.764 758 HG23 ILE 96 3HG2 ILE 96 -10.477 1.120 -7.420 759 HD11 ILE 96 3HD1 ILE 96 -7.354 2.915 -5.607 760 HD12 ILE 96 1HD1 ILE 96 -9.089 2.538 -5.676 761 HD13 ILE 96 2HD1 ILE 96 -7.992 1.453 -4.811 762 H ILE 97 H ILE 97 -10.046 -1.808 -4.549 763 HA ILE 97 HA ILE 97 -10.443 -4.487 -5.802 764 HB ILE 97 HB ILE 97 -11.855 -3.268 -3.422 765 HG12 ILE 97 1HG1 ILE 97 -10.487 -5.245 -2.306 766 HG13 ILE 97 2HG1 ILE 97 -9.355 -4.950 -3.619 767 HG21 ILE 97 1HG2 ILE 97 -13.238 -4.885 -4.491 768 HG22 ILE 97 2HG2 ILE 97 -11.899 -6.059 -4.595 769 HG23 ILE 97 3HG2 ILE 97 -12.593 -5.601 -3.017 770 HD11 ILE 97 3HD1 ILE 97 -9.137 -3.696 -1.306 771 HD12 ILE 97 1HD1 ILE 97 -8.823 -2.788 -2.804 772 HD13 ILE 97 2HD1 ILE 97 -10.371 -2.619 -1.934 773 H ASP 98 H ASP 98 -12.180 -4.975 -7.006 774 HA ASP 98 HA ASP 98 -13.974 -2.763 -7.838 775 HB2 ASP 98 1HB ASP 98 -12.539 -3.944 -9.503 776 HB3 ASP 98 2HB ASP 98 -13.417 -5.435 -9.168 777 H ILE 99 H ILE 99 -14.144 -5.779 -6.204 778 HA ILE 99 HA ILE 99 -15.706 -6.806 -4.962 779 HB ILE 99 HB ILE 99 -17.650 -4.602 -5.634 780 HG12 ILE 99 1HG1 ILE 99 -15.603 -3.705 -4.526 781 HG13 ILE 99 2HG1 ILE 99 -17.062 -3.514 -3.580 782 HG21 ILE 99 1HG2 ILE 99 -18.856 -6.510 -4.805 783 HG22 ILE 99 2HG2 ILE 99 -17.747 -6.681 -3.430 784 HG23 ILE 99 3HG2 ILE 99 -18.808 -5.266 -3.560 785 HD11 ILE 99 3HD1 ILE 99 -15.040 -4.192 -2.259 786 HD12 ILE 99 1HD1 ILE 99 -16.420 -5.284 -2.058 787 HD13 ILE 99 2HD1 ILE 99 -15.058 -5.760 -3.092 788 HA PRO 100 HA PRO 100 -17.631 -9.231 -8.214 789 HB2 PRO 100 1HB PRO 100 -18.216 -11.498 -6.838 790 HB3 PRO 100 2HB PRO 100 -16.536 -11.006 -7.188 791 HG2 PRO 100 1HG PRO 100 -18.132 -10.546 -4.636 792 HG3 PRO 100 2HG PRO 100 -16.475 -11.214 -4.792 793 HD2 PRO 100 1HD PRO 100 -16.980 -8.558 -4.252 794 HD3 PRO 100 2HD PRO 100 -15.563 -9.089 -5.203 795 H LYS 101 H LYS 101 -19.685 -10.256 -8.697 796 HA LYS 101 HA LYS 101 -21.984 -8.775 -7.811 797 HB2 LYS 101 1HB LYS 101 -23.298 -10.316 -9.150 798 HB3 LYS 101 2HB LYS 101 -21.879 -9.740 -10.019 799 HG2 LYS 101 1HG LYS 101 -20.731 -11.903 -9.640 800 HG3 LYS 101 2HG LYS 101 -22.079 -12.464 -8.650 801 HD2 LYS 101 1HD LYS 101 -22.240 -13.450 -10.862 802 HD3 LYS 101 2HD LYS 101 -23.601 -12.381 -10.554 803 HE2 LYS 101 1HE LYS 101 -22.917 -12.047 -12.820 804 HE3 LYS 101 2HE LYS 101 -22.501 -10.592 -11.918 805 HZ1 LYS 101 3HZ LYS 101 -20.702 -11.307 -13.390 806 HZ2 LYS 101 1HZ LYS 101 -20.194 -11.392 -11.841 807 HZ3 LYS 101 2HZ LYS 101 -20.599 -12.757 -12.650 808 H LYS 102 H LYS 102 -20.582 -11.749 -6.612 809 HA LYS 102 HA LYS 102 -22.653 -12.677 -4.900 810 HB2 LYS 102 1HB LYS 102 -20.565 -13.853 -5.613 811 HB3 LYS 102 2HB LYS 102 -19.624 -12.812 -4.537 812 HG2 LYS 102 1HG LYS 102 -20.855 -13.713 -2.582 813 HG3 LYS 102 2HG LYS 102 -21.846 -14.718 -3.648 814 HD2 LYS 102 1HD LYS 102 -18.815 -14.917 -3.332 815 HD3 LYS 102 2HD LYS 102 -19.999 -15.943 -2.510 816 HE2 LYS 102 1HE LYS 102 -20.842 -16.737 -4.723 817 HE3 LYS 102 2HE LYS 102 -19.610 -15.761 -5.534 818 HZ1 LYS 102 3HZ LYS 102 -18.884 -18.053 -5.271 819 HZ2 LYS 102 1HZ LYS 102 -17.911 -17.078 -4.394 820 HZ3 LYS 102 2HZ LYS 102 -19.053 -17.984 -3.648 821 H GLY 103 H GLY 103 -20.621 -9.857 -4.552 822 HA2 GLY 103 1HA GLY 103 -21.137 -9.431 -1.695 823 HA3 GLY 103 2HA GLY 103 -20.319 -8.337 -2.844 824 H VAL 104 H VAL 104 -23.048 -8.903 -4.452 825 HA VAL 104 HA VAL 104 -24.313 -6.411 -3.487 826 HB VAL 104 HB VAL 104 -25.054 -8.132 -5.886 827 HG11 VAL 104 1HG1 VAL 104 -26.962 -6.763 -5.105 828 HG12 VAL 104 2HG1 VAL 104 -25.929 -5.319 -5.073 829 HG13 VAL 104 3HG1 VAL 104 -26.314 -6.115 -6.614 830 HG21 VAL 104 3HG2 VAL 104 -23.971 -6.342 -7.216 831 HG22 VAL 104 1HG2 VAL 104 -23.441 -5.545 -5.718 832 HG23 VAL 104 2HG2 VAL 104 -22.803 -7.142 -6.162 833 H SER 105 H SER 105 -25.481 -6.666 -1.730 834 HA SER 105 HA SER 105 -27.779 -8.521 -1.565 835 HB2 SER 105 1HB SER 105 -25.424 -8.577 0.372 836 HB3 SER 105 2HB SER 105 -27.005 -9.295 0.703 837 HG SER 105 HG SER 105 -25.490 -10.837 -0.098 838 H GLY 106 H GLY 106 -29.263 -7.949 0.133 839 HA2 GLY 106 1HA GLY 106 -29.327 -5.122 0.826 840 HA3 GLY 106 2HA GLY 106 -30.514 -6.352 1.293 841 HA PRO 107 HA PRO 107 -27.428 -5.388 4.829 842 HB2 PRO 107 1HB PRO 107 -28.432 -3.232 6.136 843 HB3 PRO 107 2HB PRO 107 -27.408 -3.062 4.678 844 HG2 PRO 107 1HG PRO 107 -30.445 -3.025 4.821 845 HG3 PRO 107 2HG PRO 107 -29.363 -1.837 4.022 846 HD2 PRO 107 1HD PRO 107 -30.541 -3.886 2.645 847 HD3 PRO 107 2HD PRO 107 -28.889 -3.320 2.254 848 H SER 108 H SER 108 -27.785 -5.834 7.107 849 HA SER 108 HA SER 108 -30.178 -7.442 7.617 850 HB2 SER 108 1HB SER 108 -28.923 -8.045 9.683 851 HB3 SER 108 2HB SER 108 -28.029 -8.340 8.187 852 HG SER 108 HG SER 108 -26.729 -7.313 9.809 853 H SER 109 H SER 109 -29.671 -4.175 7.980 854 HA SER 109 HA SER 109 -31.896 -3.767 9.788 855 HB2 SER 109 1HB SER 109 -29.967 -4.289 11.362 856 HB3 SER 109 2HB SER 109 -29.176 -2.821 10.762 857 HG SER 109 HG SER 109 -30.425 -2.478 12.698 858 H GLY 110 H GLY 110 -32.252 -1.382 10.163 859 HA2 GLY 110 1HA GLY 110 -31.021 0.671 8.607 860 HA3 GLY 110 2HA GLY 110 -32.395 0.036 7.700 861 H5'1 ATP 201 H5" ATP 111 11.507 -14.380 5.273 862 H5'2 ATP 201 H5' ATP 111 11.319 -12.993 6.343 863 H4' ATP 201 H4' ATP 111 9.409 -14.484 6.507 864 H3' ATP 201 H3' ATP 111 9.635 -15.032 3.822 865 HO3' ATP 201 H3T ATP 111 7.298 -15.690 4.124 866 H2' ATP 201 H2' ATP 111 8.959 -12.882 3.086 867 HO2' ATP 201 2HO ATP 111 7.470 -14.338 2.081 868 H1' ATP 201 H1' ATP 111 6.764 -12.903 5.164 869 H8 ATP 201 8H ATP 111 9.516 -10.576 3.623 870 HN61 ATP 201 2H6 ATP 111 6.566 -6.645 3.245 871 HN62 ATP 201 1H6 ATP 111 4.898 -6.373 3.755 872 H2 ATP 201 2H ATP 111 3.459 -9.965 5.709 Start of MODEL 14 1 HA PRO 1 HA PRO 1 12.407 23.124 11.908 2 HB2 PRO 1 1HB PRO 1 14.074 20.745 11.094 3 HB3 PRO 1 2HB PRO 1 13.700 22.242 10.189 4 HG2 PRO 1 1HG PRO 1 15.982 21.692 11.906 5 HG3 PRO 1 2HG PRO 1 15.616 23.238 11.085 6 HD2 PRO 1 1HD PRO 1 15.573 22.962 13.834 7 HD3 PRO 1 2HD PRO 1 14.565 24.122 12.933 8 H SER 2 H SER 2 10.732 21.988 10.717 9 HA SER 2 HA SER 2 9.268 20.096 12.361 10 HB2 SER 2 1HB SER 2 8.650 21.110 9.566 11 HB3 SER 2 2HB SER 2 7.521 20.351 10.700 12 HG SER 2 HG SER 2 7.361 22.657 10.723 13 H SER 3 H SER 3 11.526 19.615 9.816 14 HA SER 3 HA SER 3 12.357 17.801 8.738 15 HB2 SER 3 1HB SER 3 10.928 16.217 10.897 16 HB3 SER 3 2HB SER 3 12.210 15.620 9.835 17 HG SER 3 HG SER 3 13.013 16.328 11.889 18 H GLY 4 H GLY 4 9.202 18.457 8.351 19 HA2 GLY 4 1HA GLY 4 8.838 17.016 5.913 20 HA3 GLY 4 2HA GLY 4 8.001 16.171 7.203 21 H SER 5 H SER 5 6.046 16.652 6.026 22 HA SER 5 HA SER 5 4.856 19.330 6.570 23 HB2 SER 5 1HB SER 5 4.906 17.957 3.853 24 HB3 SER 5 2HB SER 5 3.940 19.382 4.264 25 HG SER 5 HG SER 5 5.924 19.926 3.204 26 H SER 6 H SER 6 2.523 19.324 6.626 27 HA SER 6 HA SER 6 1.383 16.786 7.518 28 HB2 SER 6 1HB SER 6 -0.546 18.270 8.102 29 HB3 SER 6 2HB SER 6 0.997 18.762 8.812 30 HG SER 6 HG SER 6 -0.178 20.545 7.896 31 H GLY 7 H GLY 7 1.708 17.918 4.439 32 HA2 GLY 7 1HA GLY 7 -0.974 17.443 3.372 33 HA3 GLY 7 2HA GLY 7 0.506 17.753 2.448 34 H PHE 8 H PHE 8 -1.191 16.043 1.430 35 HA PHE 8 HA PHE 8 -0.660 13.253 2.066 36 HB2 PHE 8 1HB PHE 8 -2.055 12.826 0.096 37 HB3 PHE 8 2HB PHE 8 -2.810 13.957 1.192 38 HD1 PHE 8 1HD PHE 8 -1.089 13.624 -2.096 39 HD2 PHE 8 2HD PHE 8 -3.313 16.239 0.516 40 HE1 PHE 8 1HE PHE 8 -1.383 15.235 -3.957 41 HE2 PHE 8 2HE PHE 8 -3.603 17.850 -1.349 42 HZ PHE 8 HZ PHE 8 -2.636 17.355 -3.589 43 H LEU 9 H LEU 9 -0.077 11.824 0.070 44 HA LEU 9 HA LEU 9 2.179 12.831 -1.536 45 HB2 LEU 9 1HB LEU 9 3.171 12.114 0.626 46 HB3 LEU 9 2HB LEU 9 2.374 10.549 0.482 47 HG LEU 9 HG LEU 9 3.751 10.017 -1.516 48 HD11 LEU 9 1HD1 LEU 9 4.207 12.278 -2.399 49 HD12 LEU 9 2HD1 LEU 9 5.130 12.681 -0.935 50 HD13 LEU 9 3HD1 LEU 9 5.721 11.438 -2.060 51 HD21 LEU 9 3HD2 LEU 9 5.881 9.726 -0.307 52 HD22 LEU 9 1HD2 LEU 9 5.355 10.891 0.926 53 HD23 LEU 9 2HD2 LEU 9 4.498 9.346 0.731 54 H ASP 10 H ASP 10 2.381 11.762 -3.457 55 HA ASP 10 HA ASP 10 0.978 9.241 -4.058 56 HB2 ASP 10 1HB ASP 10 0.353 11.936 -5.304 57 HB3 ASP 10 2HB ASP 10 -0.030 10.414 -6.105 58 H LYS 11 H LYS 11 1.450 8.587 -6.358 59 HA LYS 11 HA LYS 11 4.190 9.378 -7.223 60 HB2 LYS 11 1HB LYS 11 2.952 6.659 -6.666 61 HB3 LYS 11 2HB LYS 11 4.219 6.787 -7.857 62 HG2 LYS 11 1HG LYS 11 5.148 8.304 -5.620 63 HG3 LYS 11 2HG LYS 11 4.416 6.851 -4.940 64 HD2 LYS 11 1HD LYS 11 5.843 5.442 -6.376 65 HD3 LYS 11 2HD LYS 11 6.532 6.877 -7.153 66 HE2 LYS 11 1HE LYS 11 6.727 6.285 -4.163 67 HE3 LYS 11 2HE LYS 11 7.968 5.829 -5.336 68 HZ1 LYS 11 3HZ LYS 11 8.415 7.952 -4.199 69 HZ2 LYS 11 1HZ LYS 11 8.328 8.151 -5.829 70 HZ3 LYS 11 2HZ LYS 11 7.089 8.624 -4.860 71 HA PRO 12 HA PRO 12 2.804 10.163 -11.177 72 HB2 PRO 12 1HB PRO 12 4.833 9.400 -12.855 73 HB3 PRO 12 2HB PRO 12 4.975 10.720 -11.662 74 HG2 PRO 12 1HG PRO 12 5.810 7.820 -11.359 75 HG3 PRO 12 2HG PRO 12 6.798 9.285 -11.024 76 HD2 PRO 12 1HD PRO 12 5.491 7.977 -9.040 77 HD3 PRO 12 2HD PRO 12 5.579 9.751 -9.034 78 H THR 13 H THR 13 2.574 9.344 -13.475 79 HA THR 13 HA THR 13 1.770 6.628 -13.987 80 HB THR 13 HB THR 13 0.081 7.293 -12.259 81 HG1 THR 13 1HG THR 13 -0.717 5.826 -13.586 82 HG21 THR 13 3HG2 THR 13 -1.500 8.975 -12.624 83 HG22 THR 13 1HG2 THR 13 0.032 9.759 -12.970 84 HG23 THR 13 2HG2 THR 13 -1.009 9.242 -14.314 85 H LEU 14 H LEU 14 0.200 6.680 -15.888 86 HA LEU 14 HA LEU 14 1.220 8.566 -17.986 87 HB2 LEU 14 1HB LEU 14 -0.127 5.846 -18.158 88 HB3 LEU 14 2HB LEU 14 0.502 6.739 -19.527 89 HG LEU 14 HG LEU 14 2.486 6.154 -17.319 90 HD11 LEU 14 1HD1 LEU 14 1.177 4.103 -17.411 91 HD12 LEU 14 2HD1 LEU 14 1.403 4.003 -19.173 92 HD13 LEU 14 3HD1 LEU 14 2.806 3.849 -18.080 93 HD21 LEU 14 3HD2 LEU 14 3.992 5.810 -19.210 94 HD22 LEU 14 1HD2 LEU 14 2.644 5.957 -20.357 95 HD23 LEU 14 2HD2 LEU 14 3.144 7.358 -19.383 96 H LEU 15 H LEU 15 -1.568 7.668 -16.172 97 HA LEU 15 HA LEU 15 -3.583 8.500 -18.091 98 HB2 LEU 15 1HB LEU 15 -4.002 8.241 -15.100 99 HB3 LEU 15 2HB LEU 15 -5.189 8.110 -16.379 100 HG LEU 15 HG LEU 15 -3.010 6.099 -15.708 101 HD11 LEU 15 1HD1 LEU 15 -4.981 6.140 -14.204 102 HD12 LEU 15 2HD1 LEU 15 -6.051 5.910 -15.604 103 HD13 LEU 15 3HD1 LEU 15 -4.898 4.639 -15.140 104 HD21 LEU 15 3HD2 LEU 15 -4.031 4.648 -17.460 105 HD22 LEU 15 1HD2 LEU 15 -5.036 6.017 -17.990 106 HD23 LEU 15 2HD2 LEU 15 -3.264 6.082 -18.143 107 H SER 16 H SER 16 -5.368 9.968 -17.111 108 HA SER 16 HA SER 16 -4.320 12.705 -16.883 109 HB2 SER 16 1HB SER 16 -6.994 11.408 -17.424 110 HB3 SER 16 2HB SER 16 -6.853 13.100 -17.132 111 HG SER 16 HG SER 16 -6.757 12.595 -19.401 112 HA PRO 17 HA PRO 17 -5.195 13.139 -12.551 113 HB2 PRO 17 1HB PRO 17 -6.182 15.693 -12.366 114 HB3 PRO 17 2HB PRO 17 -4.468 15.315 -12.720 115 HG2 PRO 17 1HG PRO 17 -6.675 15.970 -14.701 116 HG3 PRO 17 2HG PRO 17 -5.022 16.661 -14.615 117 HD2 PRO 17 1HD PRO 17 -5.624 14.630 -16.318 118 HD3 PRO 17 2HD PRO 17 -4.042 14.701 -15.473 119 H GLU 18 H GLU 18 -7.791 13.525 -14.883 120 HA GLU 18 HA GLU 18 -9.962 13.430 -12.932 121 HB2 GLU 18 1HB GLU 18 -10.005 12.956 -15.939 122 HB3 GLU 18 2HB GLU 18 -11.397 13.278 -14.910 123 HG2 GLU 18 1HG GLU 18 -9.118 15.214 -15.536 124 HG3 GLU 18 2HG GLU 18 -10.739 15.255 -16.211 125 H GLU 19 H GLU 19 -8.135 11.055 -14.824 126 HA GLU 19 HA GLU 19 -10.045 8.882 -14.739 127 HB2 GLU 19 1HB GLU 19 -7.074 9.155 -15.293 128 HB3 GLU 19 2HB GLU 19 -7.800 7.576 -15.168 129 HG2 GLU 19 1HG GLU 19 -8.659 9.763 -17.111 130 HG3 GLU 19 2HG GLU 19 -7.566 8.432 -17.489 131 H LEU 20 H LEU 20 -7.112 9.623 -12.937 132 HA LEU 20 HA LEU 20 -7.068 7.371 -11.184 133 HB2 LEU 20 1HB LEU 20 -5.966 10.171 -10.728 134 HB3 LEU 20 2HB LEU 20 -5.388 8.713 -9.951 135 HG LEU 20 HG LEU 20 -5.275 8.769 -12.978 136 HD11 LEU 20 1HD1 LEU 20 -4.593 11.045 -12.200 137 HD12 LEU 20 2HD1 LEU 20 -3.250 10.288 -11.319 138 HD13 LEU 20 3HD1 LEU 20 -3.372 10.150 -13.102 139 HD21 LEU 20 3HD2 LEU 20 -3.260 7.498 -12.657 140 HD22 LEU 20 1HD2 LEU 20 -3.269 7.808 -10.908 141 HD23 LEU 20 2HD2 LEU 20 -4.531 6.794 -11.646 142 H LYS 21 H LYS 21 -8.222 10.704 -10.696 143 HA LYS 21 HA LYS 21 -9.377 10.320 -8.089 144 HB2 LYS 21 1HB LYS 21 -9.656 12.354 -10.295 145 HB3 LYS 21 2HB LYS 21 -10.868 12.327 -9.029 146 HG2 LYS 21 1HG LYS 21 -9.039 13.934 -8.598 147 HG3 LYS 21 2HG LYS 21 -9.313 12.774 -7.300 148 HD2 LYS 21 1HD LYS 21 -7.319 11.514 -7.893 149 HD3 LYS 21 2HD LYS 21 -7.083 12.492 -9.352 150 HE2 LYS 21 1HE LYS 21 -6.788 14.519 -7.946 151 HE3 LYS 21 2HE LYS 21 -7.049 13.552 -6.488 152 HZ1 LYS 21 3HZ LYS 21 -4.690 13.879 -6.923 153 HZ2 LYS 21 1HZ LYS 21 -5.044 12.290 -7.045 154 HZ3 LYS 21 2HZ LYS 21 -4.802 13.184 -8.396 155 H ALA 22 H ALA 22 -10.850 9.845 -11.360 156 HA ALA 22 HA ALA 22 -13.447 9.171 -10.310 157 HB1 ALA 22 1HB ALA 22 -13.103 9.881 -12.630 158 HB2 ALA 22 2HB ALA 22 -12.124 8.436 -12.960 159 HB3 ALA 22 3HB ALA 22 -13.850 8.276 -12.583 160 H ALA 23 H ALA 23 -10.653 7.082 -11.191 161 HA ALA 23 HA ALA 23 -11.855 4.578 -10.613 162 HB1 ALA 23 1HB ALA 23 -9.720 4.916 -11.848 163 HB2 ALA 23 2HB ALA 23 -8.938 5.451 -10.338 164 HB3 ALA 23 3HB ALA 23 -9.520 3.783 -10.494 165 H SER 24 H SER 24 -10.129 6.825 -8.440 166 HA SER 24 HA SER 24 -10.346 5.098 -6.109 167 HB2 SER 24 1HB SER 24 -8.569 6.783 -6.493 168 HB3 SER 24 2HB SER 24 -9.766 8.075 -6.285 169 HG SER 24 HG SER 24 -8.624 7.589 -4.322 170 H ARG 25 H ARG 25 -12.040 8.156 -6.960 171 HA ARG 25 HA ARG 25 -13.736 8.176 -4.687 172 HB2 ARG 25 1HB ARG 25 -13.059 10.102 -6.133 173 HB3 ARG 25 2HB ARG 25 -14.167 9.528 -7.372 174 HG2 ARG 25 1HG ARG 25 -15.112 11.364 -6.089 175 HG3 ARG 25 2HG ARG 25 -16.089 9.913 -5.891 176 HD2 ARG 25 1HD ARG 25 -15.108 9.536 -3.658 177 HD3 ARG 25 2HD ARG 25 -14.019 10.923 -3.891 178 HE ARG 25 HE ARG 25 -16.703 11.786 -4.264 179 HH11 ARG 25 1HH2 ARG 25 -14.639 10.726 -1.591 180 HH12 ARG 25 2HH2 ARG 25 -15.535 11.640 -0.417 181 HH21 ARG 25 1HH1 ARG 25 -17.814 12.941 -2.697 182 HH22 ARG 25 2HH1 ARG 25 -17.308 12.877 -1.036 183 H GLY 26 H GLY 26 -14.152 6.635 -7.811 184 HA2 GLY 26 1HA GLY 26 -16.962 6.111 -7.746 185 HA3 GLY 26 2HA GLY 26 -15.735 5.197 -8.657 186 H ASN 27 H ASN 27 -14.437 4.680 -5.870 187 HA ASN 27 HA ASN 27 -16.360 2.635 -4.822 188 HB2 ASN 27 1HB ASN 27 -13.478 2.362 -5.628 189 HB3 ASN 27 2HB ASN 27 -13.994 1.534 -4.168 190 HD21 ASN 27 2HD2 ASN 27 -15.524 -0.142 -4.246 191 HD22 ASN 27 1HD2 ASN 27 -15.936 -0.915 -5.788 192 H GLY 28 H GLY 28 -13.278 4.209 -3.791 193 HA2 GLY 28 1HA GLY 28 -12.936 5.519 -1.844 194 HA3 GLY 28 2HA GLY 28 -14.517 5.014 -1.190 195 H GLU 29 H GLU 29 -13.158 2.298 -2.371 196 HA GLU 29 HA GLU 29 -12.177 1.127 0.093 197 HB2 GLU 29 1HB GLU 29 -12.516 0.359 -2.804 198 HB3 GLU 29 2HB GLU 29 -11.340 -0.503 -1.908 199 HG2 GLU 29 1HG GLU 29 -13.397 -1.728 -1.728 200 HG3 GLU 29 2HG GLU 29 -13.093 -1.013 -0.147 201 H TYR 30 H TYR 30 -10.013 -0.088 -0.083 202 HA TYR 30 HA TYR 30 -7.824 1.001 -1.564 203 HB2 TYR 30 1HB TYR 30 -6.592 2.104 0.165 204 HB3 TYR 30 2HB TYR 30 -8.152 2.882 0.010 205 HD1 TYR 30 1HD TYR 30 -10.030 2.120 1.682 206 HD2 TYR 30 2HD TYR 30 -5.855 1.198 2.226 207 HE1 TYR 30 1HE TYR 30 -10.436 1.722 4.115 208 HE2 TYR 30 2HE TYR 30 -6.256 0.768 4.650 209 HH TYR 30 HH TYR 30 -9.505 1.119 6.135 210 H ALA 31 H ALA 31 -5.913 -0.077 -1.304 211 HA ALA 31 HA ALA 31 -5.559 -2.131 0.779 212 HB1 ALA 31 1HB ALA 31 -6.711 -3.462 -0.838 213 HB2 ALA 31 2HB ALA 31 -5.855 -2.715 -2.201 214 HB3 ALA 31 3HB ALA 31 -5.004 -3.814 -1.085 215 H TRP 32 H TRP 32 -3.449 -2.975 0.833 216 HA TRP 32 HA TRP 32 -1.341 -1.516 -0.687 217 HB2 TRP 32 1HB TRP 32 -1.373 -2.257 2.260 218 HB3 TRP 32 2HB TRP 32 0.099 -1.910 1.362 219 HD1 TRP 32 HD TRP 32 -3.190 -0.081 2.232 220 HE1 TRP 32 1HE TRP 32 -2.681 2.409 2.513 221 HE3 TRP 32 3HE TRP 32 1.798 -0.129 1.003 222 HZ2 TRP 32 2HZ TRP 32 -0.383 4.147 2.350 223 HZ3 TRP 32 3HZ TRP 32 3.113 1.975 1.111 224 HH2 TRP 32 HH TRP 32 2.037 4.102 1.808 225 H TYR 33 H TYR 33 0.373 -2.738 -1.349 226 HA TYR 33 HA TYR 33 0.271 -5.689 -0.950 227 HB2 TYR 33 1HB TYR 33 0.445 -4.203 -3.591 228 HB3 TYR 33 2HB TYR 33 0.834 -5.896 -3.408 229 HD1 TYR 33 2HD TYR 33 -2.007 -3.464 -2.984 230 HD2 TYR 33 1HD TYR 33 -0.780 -7.529 -3.759 231 HE1 TYR 33 2HE TYR 33 -4.373 -4.087 -3.449 232 HE2 TYR 33 1HE TYR 33 -3.138 -8.153 -4.221 233 HH TYR 33 HH TYR 33 -5.315 -7.422 -4.380 234 H TYR 34 H TYR 34 2.219 -6.795 -1.410 235 HA TYR 34 HA TYR 34 4.724 -5.208 -1.712 236 HB2 TYR 34 1HB TYR 34 5.776 -6.371 0.101 237 HB3 TYR 34 2HB TYR 34 4.309 -5.621 0.701 238 HD1 TYR 34 1HD TYR 34 2.303 -7.022 1.269 239 HD2 TYR 34 2HD TYR 34 6.072 -8.782 0.124 240 HE1 TYR 34 1HE TYR 34 1.539 -9.213 2.145 241 HE2 TYR 34 2HE TYR 34 5.316 -10.978 1.013 242 HH TYR 34 HH TYR 34 2.070 -11.433 2.477 243 H GLU 35 H GLU 35 6.484 -6.461 -2.658 244 HA GLU 35 HA GLU 35 5.636 -8.827 -4.202 245 HB2 GLU 35 1HB GLU 35 8.337 -7.454 -3.991 246 HB3 GLU 35 2HB GLU 35 7.973 -8.870 -4.990 247 HG2 GLU 35 1HG GLU 35 6.087 -7.450 -6.039 248 HG3 GLU 35 2HG GLU 35 6.881 -6.057 -5.293 249 H GLY 36 H GLY 36 5.338 -10.640 -3.146 250 HA2 GLY 36 1HA GLY 36 7.074 -11.586 -0.916 251 HA3 GLY 36 2HA GLY 36 5.565 -12.289 -1.471 252 H ARG 37 H ARG 37 6.609 -14.327 -1.401 253 HA ARG 37 HA ARG 37 8.882 -15.157 -2.758 254 HB2 ARG 37 1HB ARG 37 7.601 -16.484 -1.095 255 HB3 ARG 37 2HB ARG 37 6.282 -16.655 -2.240 256 HG2 ARG 37 1HG ARG 37 7.272 -18.703 -2.403 257 HG3 ARG 37 2HG ARG 37 8.018 -17.896 -3.765 258 HD2 ARG 37 1HD ARG 37 9.227 -18.403 -1.015 259 HD3 ARG 37 2HD ARG 37 9.646 -19.240 -2.506 260 HE ARG 37 HE ARG 37 10.630 -16.704 -1.532 261 HH11 ARG 37 1HH1 ARG 37 10.201 -18.517 -4.562 262 HH12 ARG 37 2HH1 ARG 37 11.354 -17.526 -5.406 263 HH21 ARG 37 1HH2 ARG 37 11.945 -15.416 -2.680 264 HH22 ARG 37 2HH2 ARG 37 12.378 -15.798 -4.341 265 H ASN 38 H ASN 38 5.559 -15.139 -4.036 266 HA ASN 38 HA ASN 38 6.566 -15.912 -6.740 267 HB2 ASN 38 1HB ASN 38 3.892 -16.395 -5.399 268 HB3 ASN 38 2HB ASN 38 4.286 -16.875 -7.047 269 HD21 ASN 38 2HD2 ASN 38 3.836 -18.298 -4.200 270 HD22 ASN 38 1HD2 ASN 38 5.083 -19.528 -4.264 271 H GLY 39 H GLY 39 5.126 -13.180 -5.243 272 HA2 GLY 39 1HA GLY 39 5.208 -11.443 -7.367 273 HA3 GLY 39 2HA GLY 39 3.638 -12.203 -7.564 274 H TRP 40 H TRP 40 2.824 -9.974 -7.239 275 HA TRP 40 HA TRP 40 2.992 -8.621 -4.733 276 HB2 TRP 40 1HB TRP 40 0.907 -8.539 -6.945 277 HB3 TRP 40 2HB TRP 40 0.992 -7.414 -5.596 278 HD1 TRP 40 HD TRP 40 2.419 -8.036 -8.989 279 HE1 TRP 40 1HE TRP 40 4.137 -6.247 -9.596 280 HE3 TRP 40 3HE TRP 40 2.946 -5.848 -4.398 281 HZ2 TRP 40 2HZ TRP 40 5.428 -3.985 -8.294 282 HZ3 TRP 40 3HZ TRP 40 4.397 -3.869 -4.115 283 HH2 TRP 40 HH TRP 40 5.613 -2.900 -6.048 284 H TRP 41 H TRP 41 2.077 -9.044 -2.842 285 HA TRP 41 HA TRP 41 -0.529 -10.500 -2.705 286 HB2 TRP 41 1HB TRP 41 1.851 -10.840 -0.843 287 HB3 TRP 41 2HB TRP 41 0.267 -11.595 -0.645 288 HD1 TRP 41 HD TRP 41 3.517 -12.480 -1.774 289 HE1 TRP 41 1HE TRP 41 3.561 -14.365 -3.523 290 HE3 TRP 41 3HE TRP 41 -1.445 -12.558 -2.976 291 HZ2 TRP 41 2HZ TRP 41 1.717 -15.538 -5.412 292 HZ3 TRP 41 3HZ TRP 41 -2.277 -14.013 -4.764 293 HH2 TRP 41 HH TRP 41 -0.716 -15.521 -6.014 294 H GLN 42 H GLN 42 -1.972 -9.821 -1.165 295 HA GLN 42 HA GLN 42 -1.704 -7.000 -0.458 296 HB2 GLN 42 1HB GLN 42 -3.779 -8.209 -1.413 297 HB3 GLN 42 2HB GLN 42 -4.016 -8.854 0.214 298 HG2 GLN 42 1HG GLN 42 -4.062 -6.460 1.063 299 HG3 GLN 42 2HG GLN 42 -3.938 -5.916 -0.612 300 HE21 GLN 42 2HE2 GLN 42 -5.818 -6.392 -2.091 301 HE22 GLN 42 1HE2 GLN 42 -7.379 -6.702 -1.351 302 H TYR 43 H TYR 43 -1.480 -6.106 1.568 303 HA TYR 43 HA TYR 43 -0.598 -7.692 3.841 304 HB2 TYR 43 1HB TYR 43 -1.402 -4.797 3.450 305 HB3 TYR 43 2HB TYR 43 -0.960 -5.435 5.024 306 HD1 TYR 43 2HD TYR 43 1.360 -6.436 5.376 307 HD2 TYR 43 1HD TYR 43 0.282 -4.120 1.918 308 HE1 TYR 43 2HE TYR 43 3.756 -5.898 4.986 309 HE2 TYR 43 1HE TYR 43 2.665 -3.569 1.514 310 HH TYR 43 HH TYR 43 4.793 -3.796 2.265 311 H ASP 44 H ASP 44 -1.633 -7.804 5.921 312 HA ASP 44 HA ASP 44 -4.505 -8.359 5.870 313 HB2 ASP 44 1HB ASP 44 -2.643 -9.491 7.268 314 HB3 ASP 44 2HB ASP 44 -2.803 -8.120 8.361 315 H GLU 45 H GLU 45 -5.995 -7.319 7.356 316 HA GLU 45 HA GLU 45 -6.041 -4.455 6.845 317 HB2 GLU 45 1HB GLU 45 -8.234 -4.489 7.936 318 HB3 GLU 45 2HB GLU 45 -8.085 -5.688 6.655 319 HG2 GLU 45 1HG GLU 45 -7.817 -7.489 8.298 320 HG3 GLU 45 2HG GLU 45 -7.796 -6.322 9.622 321 H ARG 46 H ARG 46 -4.955 -6.341 9.547 322 HA ARG 46 HA ARG 46 -5.001 -4.269 11.582 323 HB2 ARG 46 1HB ARG 46 -3.192 -6.705 11.230 324 HB3 ARG 46 2HB ARG 46 -3.127 -5.597 12.597 325 HG2 ARG 46 1HG ARG 46 -4.398 -7.316 13.399 326 HG3 ARG 46 2HG ARG 46 -5.597 -6.072 12.976 327 HD2 ARG 46 1HD ARG 46 -6.185 -7.295 10.944 328 HD3 ARG 46 2HD ARG 46 -4.837 -8.417 11.216 329 HE ARG 46 HE ARG 46 -6.597 -8.493 13.455 330 HH11 ARG 46 1HH1 ARG 46 -6.507 -9.505 10.059 331 HH12 ARG 46 2HH1 ARG 46 -7.667 -10.783 10.315 332 HH21 ARG 46 1HH2 ARG 46 -8.078 -10.174 13.718 333 HH22 ARG 46 2HH2 ARG 46 -8.538 -11.157 12.361 334 H THR 47 H THR 47 -2.847 -5.232 9.082 335 HA THR 47 HA THR 47 -0.638 -3.427 9.792 336 HB THR 47 HB THR 47 -0.915 -5.505 7.580 337 HG1 THR 47 1HG THR 47 0.341 -6.699 9.113 338 HG21 THR 47 3HG2 THR 47 1.617 -5.435 7.708 339 HG22 THR 47 1HG2 THR 47 0.869 -3.993 6.991 340 HG23 THR 47 2HG2 THR 47 1.451 -3.934 8.664 341 H SER 48 H SER 48 -2.750 -3.833 6.867 342 HA SER 48 HA SER 48 -1.441 -1.777 5.394 343 HB2 SER 48 1HB SER 48 -3.342 -1.859 3.903 344 HB3 SER 48 2HB SER 48 -2.845 -3.493 4.367 345 HG SER 48 HG SER 48 -5.136 -3.236 4.472 346 H ARG 49 H ARG 49 -4.000 -1.519 7.819 347 HA ARG 49 HA ARG 49 -4.699 1.184 7.244 348 HB2 ARG 49 1HB ARG 49 -5.857 1.234 9.260 349 HB3 ARG 49 2HB ARG 49 -5.991 -0.400 8.654 350 HG2 ARG 49 1HG ARG 49 -5.610 -0.770 10.894 351 HG3 ARG 49 2HG ARG 49 -4.021 -0.991 10.197 352 HD2 ARG 49 1HD ARG 49 -4.078 0.241 12.400 353 HD3 ARG 49 2HD ARG 49 -3.233 1.067 11.116 354 HE ARG 49 HE ARG 49 -6.062 1.802 11.552 355 HH11 ARG 49 1HH1 ARG 49 -2.685 2.742 12.222 356 HH12 ARG 49 2HH1 ARG 49 -3.101 4.453 12.167 357 HH21 ARG 49 1HH2 ARG 49 -6.475 4.028 11.679 358 HH22 ARG 49 2HH2 ARG 49 -5.158 5.121 12.018 359 H GLU 50 H GLU 50 -1.856 -0.158 8.881 360 HA GLU 50 HA GLU 50 -1.138 2.339 10.221 361 HB2 GLU 50 1HB GLU 50 0.620 -0.025 9.440 362 HB3 GLU 50 2HB GLU 50 1.081 1.276 10.524 363 HG2 GLU 50 1HG GLU 50 -1.270 -0.581 11.106 364 HG3 GLU 50 2HG GLU 50 0.384 -0.934 11.579 365 H LEU 51 H LEU 51 -0.439 0.803 7.134 366 HA LEU 51 HA LEU 51 1.485 2.713 6.148 367 HB2 LEU 51 1HB LEU 51 -0.296 0.817 4.569 368 HB3 LEU 51 2HB LEU 51 1.269 1.471 4.098 369 HG LEU 51 HG LEU 51 0.811 -0.540 6.347 370 HD11 LEU 51 1HD1 LEU 51 0.343 -1.470 4.124 371 HD12 LEU 51 2HD1 LEU 51 1.961 -0.977 3.572 372 HD13 LEU 51 3HD1 LEU 51 1.780 -2.187 4.865 373 HD21 LEU 51 3HD2 LEU 51 3.274 -0.793 6.281 374 HD22 LEU 51 1HD2 LEU 51 3.370 0.556 5.124 375 HD23 LEU 51 2HD2 LEU 51 2.788 0.827 6.783 376 H GLU 52 H GLU 52 -2.016 2.222 5.582 377 HA GLU 52 HA GLU 52 -2.480 4.443 3.888 378 HB2 GLU 52 1HB GLU 52 -4.039 2.597 4.241 379 HB3 GLU 52 2HB GLU 52 -4.324 3.086 5.901 380 HG2 GLU 52 1HG GLU 52 -4.900 4.923 3.537 381 HG3 GLU 52 2HG GLU 52 -6.040 3.700 4.055 382 H ASP 53 H ASP 53 -2.384 4.297 7.478 383 HA ASP 53 HA ASP 53 -3.542 6.907 7.828 384 HB2 ASP 53 1HB ASP 53 -3.522 4.950 9.427 385 HB3 ASP 53 2HB ASP 53 -1.828 5.263 9.749 386 H ALA 54 H ALA 54 -0.312 5.603 7.680 387 HA ALA 54 HA ALA 54 1.221 7.791 8.610 388 HB1 ALA 54 1HB ALA 54 2.079 5.578 8.526 389 HB2 ALA 54 2HB ALA 54 1.814 5.448 6.781 390 HB3 ALA 54 3HB ALA 54 3.079 6.543 7.407 391 H PHE 55 H PHE 55 0.521 7.000 5.126 392 HA PHE 55 HA PHE 55 1.846 9.421 4.245 393 HB2 PHE 55 1HB PHE 55 1.458 8.753 2.132 394 HB3 PHE 55 2HB PHE 55 1.282 7.198 2.911 395 HD1 PHE 55 2HD PHE 55 -0.995 6.195 3.206 396 HD2 PHE 55 1HD PHE 55 -0.392 9.870 1.053 397 HE1 PHE 55 2HE PHE 55 -3.216 5.924 2.118 398 HE2 PHE 55 1HE PHE 55 -2.616 9.614 -0.019 399 HZ PHE 55 HZ PHE 55 -4.032 7.636 0.511 400 H SER 56 H SER 56 -1.214 8.808 5.565 401 HA SER 56 HA SER 56 -2.522 11.273 4.604 402 HB2 SER 56 1HB SER 56 -3.625 8.999 5.156 403 HB3 SER 56 2HB SER 56 -3.475 9.476 6.847 404 HG SER 56 HG SER 56 -5.509 10.092 5.889 405 H LYS 57 H LYS 57 -0.753 10.201 7.503 406 HA LYS 57 HA LYS 57 -1.294 12.559 9.133 407 HB2 LYS 57 1HB LYS 57 0.725 10.290 9.184 408 HB3 LYS 57 2HB LYS 57 0.805 11.619 10.338 409 HG2 LYS 57 1HG LYS 57 -1.147 11.015 11.446 410 HG3 LYS 57 2HG LYS 57 -1.807 10.135 10.067 411 HD2 LYS 57 1HD LYS 57 -1.081 8.572 11.841 412 HD3 LYS 57 2HD LYS 57 -0.219 8.340 10.334 413 HE2 LYS 57 1HE LYS 57 1.536 8.182 11.795 414 HE3 LYS 57 2HE LYS 57 1.631 9.884 11.367 415 HZ1 LYS 57 3HZ LYS 57 1.756 9.613 13.773 416 HZ2 LYS 57 1HZ LYS 57 0.384 10.416 13.405 417 HZ3 LYS 57 2HZ LYS 57 0.320 8.836 13.820 418 H GLY 58 H GLY 58 1.397 11.511 7.026 419 HA2 GLY 58 1HA GLY 58 2.397 13.357 5.635 420 HA3 GLY 58 2HA GLY 58 2.592 14.263 7.154 421 H LYS 59 H LYS 59 3.226 11.136 8.099 422 HA LYS 59 HA LYS 59 6.080 11.557 8.030 423 HB2 LYS 59 1HB LYS 59 6.182 9.175 8.883 424 HB3 LYS 59 2HB LYS 59 5.363 10.343 9.898 425 HG2 LYS 59 1HG LYS 59 3.208 9.508 9.396 426 HG3 LYS 59 2HG LYS 59 3.811 8.619 7.988 427 HD2 LYS 59 1HD LYS 59 3.294 7.149 9.913 428 HD3 LYS 59 2HD LYS 59 4.952 7.031 9.368 429 HE2 LYS 59 1HE LYS 59 5.682 8.500 11.247 430 HE3 LYS 59 2HE LYS 59 4.013 8.579 11.818 431 HZ1 LYS 59 3HZ LYS 59 5.249 6.868 12.998 432 HZ2 LYS 59 1HZ LYS 59 4.103 6.127 12.092 433 HZ3 LYS 59 2HZ LYS 59 5.659 6.114 11.609 434 H LYS 60 H LYS 60 7.625 10.321 7.064 435 HA LYS 60 HA LYS 60 6.978 9.629 4.243 436 HB2 LYS 60 1HB LYS 60 9.130 10.365 3.706 437 HB3 LYS 60 2HB LYS 60 8.522 11.509 4.884 438 HG2 LYS 60 1HG LYS 60 9.864 10.196 6.642 439 HG3 LYS 60 2HG LYS 60 10.587 9.319 5.288 440 HD2 LYS 60 1HD LYS 60 12.108 11.048 5.872 441 HD3 LYS 60 2HD LYS 60 11.352 11.543 4.349 442 HE2 LYS 60 1HE LYS 60 9.796 13.029 5.617 443 HE3 LYS 60 2HE LYS 60 10.516 12.490 7.137 444 HZ1 LYS 60 3HZ LYS 60 11.449 14.585 6.463 445 HZ2 LYS 60 1HZ LYS 60 12.628 13.455 6.384 446 HZ3 LYS 60 2HZ LYS 60 11.925 13.997 5.008 447 H ASN 61 H ASN 61 7.334 7.938 7.018 448 HA ASN 61 HA ASN 61 7.576 5.428 5.761 449 HB2 ASN 61 1HB ASN 61 9.629 4.549 6.684 450 HB3 ASN 61 2HB ASN 61 10.007 5.913 5.648 451 HD21 ASN 61 2HD2 ASN 61 10.302 8.012 6.753 452 HD22 ASN 61 1HD2 ASN 61 11.094 8.040 8.323 453 H THR 62 H THR 62 6.991 3.791 7.131 454 HA THR 62 HA THR 62 6.558 4.358 10.033 455 HB THR 62 HB THR 62 4.514 4.969 8.694 456 HG1 THR 62 1HG THR 62 3.228 3.892 10.322 457 HG21 THR 62 3HG2 THR 62 2.987 3.157 8.080 458 HG22 THR 62 1HG2 THR 62 4.488 2.982 7.160 459 HG23 THR 62 2HG2 THR 62 4.171 1.925 8.553 460 H GLU 63 H GLU 63 5.487 2.207 11.023 461 HA GLU 63 HA GLU 63 7.389 -0.007 10.343 462 HB2 GLU 63 1HB GLU 63 6.631 1.238 13.013 463 HB3 GLU 63 2HB GLU 63 7.383 -0.356 12.876 464 HG2 GLU 63 1HG GLU 63 9.297 0.571 11.708 465 HG3 GLU 63 2HG GLU 63 8.603 2.189 11.732 466 H MET 64 H MET 64 6.765 -2.090 10.703 467 HA MET 64 HA MET 64 4.051 -2.792 11.611 468 HB2 MET 64 1HB MET 64 3.622 -3.973 9.415 469 HB3 MET 64 2HB MET 64 3.512 -2.213 9.366 470 HG2 MET 64 1HG MET 64 5.717 -2.041 8.350 471 HG3 MET 64 2HG MET 64 5.999 -3.772 8.573 472 HE1 MET 64 3HE MET 64 6.083 -3.484 4.825 473 HE2 MET 64 1HE MET 64 6.945 -2.986 6.293 474 HE3 MET 64 2HE MET 64 6.459 -4.691 6.074 475 H LEU 65 H LEU 65 3.731 -4.952 11.999 476 HA LEU 65 HA LEU 65 6.140 -6.670 12.197 477 HB2 LEU 65 1HB LEU 65 4.274 -5.898 14.134 478 HB3 LEU 65 2HB LEU 65 3.619 -7.426 13.611 479 HG LEU 65 HG LEU 65 4.982 -7.686 15.564 480 HD11 LEU 65 1HD1 LEU 65 5.042 -9.564 13.966 481 HD12 LEU 65 2HD1 LEU 65 6.548 -8.910 13.277 482 HD13 LEU 65 3HD1 LEU 65 6.505 -9.450 14.959 483 HD21 LEU 65 3HD2 LEU 65 7.331 -7.122 15.692 484 HD22 LEU 65 1HD2 LEU 65 7.352 -6.625 13.987 485 HD23 LEU 65 2HD2 LEU 65 6.406 -5.695 15.167 486 H ILE 66 H ILE 66 6.118 -8.692 11.433 487 HA ILE 66 HA ILE 66 3.809 -9.608 9.717 488 HB ILE 66 HB ILE 66 5.268 -10.380 8.034 489 HG12 ILE 66 1HG1 ILE 66 7.760 -9.055 8.783 490 HG13 ILE 66 2HG1 ILE 66 7.343 -10.216 10.012 491 HG21 ILE 66 1HG2 ILE 66 4.392 -8.058 7.979 492 HG22 ILE 66 2HG2 ILE 66 5.938 -7.478 8.629 493 HG23 ILE 66 3HG2 ILE 66 5.876 -8.303 7.055 494 HD11 ILE 66 3HD1 ILE 66 8.772 -11.063 8.059 495 HD12 ILE 66 1HD1 ILE 66 7.393 -12.058 8.531 496 HD13 ILE 66 2HD1 ILE 66 7.289 -11.033 7.093 497 H ALA 67 H ALA 67 5.233 -12.066 8.959 498 HA ALA 67 HA ALA 67 4.270 -13.862 10.871 499 HB1 ALA 67 1HB ALA 67 4.746 -14.325 8.454 500 HB2 ALA 67 2HB ALA 67 6.493 -14.225 8.798 501 HB3 ALA 67 3HB ALA 67 5.518 -15.517 9.520 502 H GLY 68 H GLY 68 7.282 -12.131 11.047 503 HA2 GLY 68 1HA GLY 68 7.892 -13.100 13.658 504 HA3 GLY 68 2HA GLY 68 8.892 -13.961 12.509 505 H PHE 69 H PHE 69 8.145 -10.601 11.750 506 HA PHE 69 HA PHE 69 10.777 -9.634 12.683 507 HB2 PHE 69 1HB PHE 69 9.999 -9.848 9.741 508 HB3 PHE 69 2HB PHE 69 11.370 -8.951 10.345 509 HD1 PHE 69 1HD PHE 69 13.269 -10.162 11.510 510 HD2 PHE 69 2HD PHE 69 10.173 -12.246 9.336 511 HE1 PHE 69 1HE PHE 69 14.761 -12.133 11.262 512 HE2 PHE 69 2HE PHE 69 11.669 -14.203 9.090 513 HZ PHE 69 HZ PHE 69 13.966 -14.152 10.046 514 H LEU 70 H LEU 70 11.037 -7.410 12.601 515 HA LEU 70 HA LEU 70 8.620 -5.737 12.143 516 HB2 LEU 70 1HB LEU 70 10.121 -5.569 14.258 517 HB3 LEU 70 2HB LEU 70 11.341 -4.898 13.189 518 HG LEU 70 HG LEU 70 10.317 -3.124 14.359 519 HD11 LEU 70 1HD1 LEU 70 10.705 -2.714 11.867 520 HD12 LEU 70 2HD1 LEU 70 8.937 -2.861 11.689 521 HD13 LEU 70 3HD1 LEU 70 9.619 -1.604 12.713 522 HD21 LEU 70 3HD2 LEU 70 7.883 -2.612 14.247 523 HD22 LEU 70 1HD2 LEU 70 7.612 -4.155 13.407 524 HD23 LEU 70 2HD2 LEU 70 8.240 -4.143 15.068 525 H TYR 71 H TYR 71 8.413 -4.762 10.288 526 HA TYR 71 HA TYR 71 10.796 -4.163 8.580 527 HB2 TYR 71 1HB TYR 71 7.982 -4.835 7.745 528 HB3 TYR 71 2HB TYR 71 9.208 -4.200 6.652 529 HD1 TYR 71 1HD TYR 71 11.642 -5.820 7.482 530 HD2 TYR 71 2HD TYR 71 7.541 -6.924 6.766 531 HE1 TYR 71 1HE TYR 71 12.345 -8.134 6.917 532 HE2 TYR 71 2HE TYR 71 8.230 -9.218 6.292 533 HH TYR 71 HH TYR 71 11.682 -10.235 6.307 534 H VAL 72 H VAL 72 11.136 -2.197 7.985 535 HA VAL 72 HA VAL 72 9.363 0.028 8.817 536 HB VAL 72 HB VAL 72 12.100 0.143 7.498 537 HG11 VAL 72 1HG1 VAL 72 10.745 2.202 7.191 538 HG12 VAL 72 2HG1 VAL 72 10.468 2.281 8.947 539 HG13 VAL 72 3HG1 VAL 72 12.103 2.491 8.289 540 HG21 VAL 72 3HG2 VAL 72 12.978 0.746 9.739 541 HG22 VAL 72 1HG2 VAL 72 11.398 0.351 10.450 542 HG23 VAL 72 2HG2 VAL 72 12.378 -0.912 9.670 543 H ALA 73 H ALA 73 7.878 0.634 7.360 544 HA ALA 73 HA ALA 73 8.131 -0.029 4.464 545 HB1 ALA 73 1HB ALA 73 6.017 -0.634 5.567 546 HB2 ALA 73 2HB ALA 73 5.810 1.041 6.125 547 HB3 ALA 73 3HB ALA 73 5.762 0.670 4.388 548 H ASP 74 H ASP 74 9.182 1.430 3.308 549 HA ASP 74 HA ASP 74 9.405 4.259 4.126 550 HB2 ASP 74 1HB ASP 74 11.436 3.049 3.475 551 HB3 ASP 74 2HB ASP 74 10.724 2.670 1.907 552 H LEU 75 H LEU 75 7.837 5.539 3.542 553 HA LEU 75 HA LEU 75 6.048 4.963 1.292 554 HB2 LEU 75 1HB LEU 75 6.127 7.051 3.498 555 HB3 LEU 75 2HB LEU 75 5.040 7.197 2.139 556 HG LEU 75 HG LEU 75 3.870 5.190 2.702 557 HD11 LEU 75 1HD1 LEU 75 5.560 3.732 3.687 558 HD12 LEU 75 2HD1 LEU 75 5.630 4.794 5.121 559 HD13 LEU 75 3HD1 LEU 75 4.147 3.910 4.727 560 HD21 LEU 75 3HD2 LEU 75 2.761 6.012 4.676 561 HD22 LEU 75 1HD2 LEU 75 4.234 6.843 5.235 562 HD23 LEU 75 2HD2 LEU 75 3.370 7.428 3.811 563 H GLU 76 H GLU 76 8.928 6.873 1.766 564 HA GLU 76 HA GLU 76 8.557 8.863 -0.245 565 HB2 GLU 76 1HB GLU 76 11.127 7.477 0.646 566 HB3 GLU 76 2HB GLU 76 11.025 8.886 -0.397 567 HG2 GLU 76 1HG GLU 76 9.742 9.967 1.571 568 HG3 GLU 76 2HG GLU 76 10.367 8.638 2.545 569 H ASN 77 H ASN 77 10.186 5.679 -0.484 570 HA ASN 77 HA ASN 77 10.270 5.891 -3.448 571 HB2 ASN 77 1HB ASN 77 11.723 4.057 -1.502 572 HB3 ASN 77 2HB ASN 77 11.982 4.128 -3.239 573 HD21 ASN 77 2HD2 ASN 77 12.299 6.047 -0.204 574 HD22 ASN 77 1HD2 ASN 77 13.595 7.062 -0.840 575 H MET 78 H MET 78 8.267 4.564 -1.178 576 HA MET 78 HA MET 78 6.791 2.823 -0.986 577 HB2 MET 78 1HB MET 78 6.895 2.758 -4.016 578 HB3 MET 78 2HB MET 78 5.716 1.918 -3.010 579 HG2 MET 78 1HG MET 78 5.931 4.887 -2.638 580 HG3 MET 78 2HG MET 78 5.272 4.285 -4.152 581 HE1 MET 78 3HE MET 78 3.232 4.246 -0.087 582 HE2 MET 78 1HE MET 78 4.816 3.459 -0.219 583 HE3 MET 78 2HE MET 78 4.636 5.193 -0.600 584 H VAL 79 H VAL 79 8.940 1.983 -0.090 585 HA VAL 79 HA VAL 79 9.204 -0.816 -1.065 586 HB VAL 79 HB VAL 79 11.629 -0.923 -0.601 587 HG11 VAL 79 1HG1 VAL 79 10.872 -0.631 -2.914 588 HG12 VAL 79 2HG1 VAL 79 10.978 1.139 -2.736 589 HG13 VAL 79 3HG1 VAL 79 12.438 0.136 -2.622 590 HG21 VAL 79 3HG2 VAL 79 12.986 1.128 -0.446 591 HG22 VAL 79 1HG2 VAL 79 11.508 2.094 -0.296 592 HG23 VAL 79 2HG2 VAL 79 11.937 0.896 0.950 593 H GLN 80 H GLN 80 10.410 -2.157 0.710 594 HA GLN 80 HA GLN 80 10.170 -1.034 3.410 595 HB2 GLN 80 1HB GLN 80 8.861 -2.884 4.286 596 HB3 GLN 80 2HB GLN 80 7.983 -2.073 3.001 597 HG2 GLN 80 1HG GLN 80 7.570 -4.271 2.480 598 HG3 GLN 80 2HG GLN 80 8.945 -3.970 1.436 599 HE21 GLN 80 2HE2 GLN 80 7.914 -5.452 4.536 600 HE22 GLN 80 1HE2 GLN 80 9.234 -6.610 4.558 601 H TYR 81 H TYR 81 11.306 -2.279 5.028 602 HA TYR 81 HA TYR 81 13.209 -4.357 4.322 603 HB2 TYR 81 1HB TYR 81 15.209 -2.845 4.795 604 HB3 TYR 81 2HB TYR 81 14.452 -2.719 3.238 605 HD1 TYR 81 2HD TYR 81 14.450 -1.025 6.615 606 HD2 TYR 81 1HD TYR 81 13.818 -0.645 2.368 607 HE1 TYR 81 2HE TYR 81 14.351 1.432 6.858 608 HE2 TYR 81 1HE TYR 81 13.782 1.809 2.576 609 HH TYR 81 HH TYR 81 14.148 3.459 5.765 610 H ARG 82 H ARG 82 14.752 -4.808 6.183 611 HA ARG 82 HA ARG 82 13.378 -4.656 8.769 612 HB2 ARG 82 1HB ARG 82 16.148 -5.670 7.986 613 HB3 ARG 82 2HB ARG 82 15.485 -5.729 9.626 614 HG2 ARG 82 1HG ARG 82 13.559 -7.072 8.791 615 HG3 ARG 82 2HG ARG 82 14.336 -7.124 7.189 616 HD2 ARG 82 1HD ARG 82 16.288 -8.288 8.166 617 HD3 ARG 82 2HD ARG 82 15.582 -8.149 9.777 618 HE ARG 82 HE ARG 82 14.175 -9.917 9.352 619 HH11 ARG 82 1HH1 ARG 82 15.553 -9.006 6.179 620 HH12 ARG 82 2HH1 ARG 82 14.843 -10.456 5.459 621 HH21 ARG 82 1HH2 ARG 82 13.371 -11.721 8.202 622 HH22 ARG 82 2HH2 ARG 82 13.755 -11.817 6.475 623 H ARG 83 H ARG 83 14.125 -3.595 10.669 624 HA ARG 83 HA ARG 83 15.264 -0.982 10.446 625 HB2 ARG 83 1HB ARG 83 15.013 -2.882 12.810 626 HB3 ARG 83 2HB ARG 83 15.661 -1.244 12.940 627 HG2 ARG 83 1HG ARG 83 13.540 -0.298 12.073 628 HG3 ARG 83 2HG ARG 83 12.871 -1.932 11.937 629 HD2 ARG 83 1HD ARG 83 12.060 -0.878 13.979 630 HD3 ARG 83 2HD ARG 83 13.048 -2.281 14.348 631 HE ARG 83 HE ARG 83 14.838 -0.874 15.078 632 HH11 ARG 83 1HH1 ARG 83 11.821 0.991 14.639 633 HH12 ARG 83 2HH1 ARG 83 12.493 2.357 15.477 634 HH21 ARG 83 1HH2 ARG 83 15.566 0.916 16.164 635 HH22 ARG 83 2HH2 ARG 83 14.540 2.302 16.355 636 H ASN 84 H ASN 84 16.865 -4.097 10.645 637 HA ASN 84 HA ASN 84 19.401 -3.282 11.594 638 HB2 ASN 84 1HB ASN 84 18.703 -5.581 9.717 639 HB3 ASN 84 2HB ASN 84 20.182 -5.426 10.660 640 HD21 ASN 84 2HD2 ASN 84 20.136 -5.944 12.921 641 HD22 ASN 84 1HD2 ASN 84 18.705 -6.632 13.666 642 H GLU 85 H GLU 85 18.101 -3.180 8.262 643 HA GLU 85 HA GLU 85 20.109 -1.376 7.350 644 HB2 GLU 85 1HB GLU 85 21.124 -2.780 5.586 645 HB3 GLU 85 2HB GLU 85 21.619 -3.240 7.203 646 HG2 GLU 85 1HG GLU 85 20.151 -5.196 7.170 647 HG3 GLU 85 2HG GLU 85 19.458 -4.706 5.622 648 H HIS 86 H HIS 86 19.489 -0.304 5.537 649 HA HIS 86 HA HIS 86 16.925 -0.855 4.262 650 HB2 HIS 86 1HB HIS 86 17.465 1.166 3.015 651 HB3 HIS 86 2HB HIS 86 17.730 1.406 4.744 652 HD2 HIS 86 2HD HIS 86 19.554 1.341 1.397 653 HE1 HIS 86 1HE HIS 86 22.538 2.192 4.310 654 HE2 HIS 86 2HE HIS 86 22.052 2.066 1.812 655 H GLY 87 H GLY 87 20.044 -1.973 3.800 656 HA2 GLY 87 1HA GLY 87 20.554 -2.166 1.065 657 HA3 GLY 87 2HA GLY 87 21.108 -3.352 2.258 658 H ARG 88 H ARG 88 19.228 -4.970 2.948 659 HA ARG 88 HA ARG 88 17.946 -6.043 0.545 660 HB2 ARG 88 1HB ARG 88 18.915 -7.429 2.432 661 HB3 ARG 88 2HB ARG 88 17.518 -6.994 3.407 662 HG2 ARG 88 1HG ARG 88 17.426 -8.348 0.671 663 HG3 ARG 88 2HG ARG 88 17.410 -9.213 2.203 664 HD2 ARG 88 1HD ARG 88 15.246 -8.232 2.807 665 HD3 ARG 88 2HD ARG 88 15.212 -7.284 1.323 666 HE ARG 88 HE ARG 88 14.496 -10.061 1.631 667 HH11 ARG 88 1HH1 ARG 88 15.495 -7.663 -0.811 668 HH12 ARG 88 2HH1 ARG 88 14.948 -8.672 -2.109 669 HH21 ARG 88 1HH2 ARG 88 14.078 -11.370 -0.104 670 HH22 ARG 88 2HH2 ARG 88 14.075 -10.700 -1.712 671 H ARG 89 H ARG 89 16.570 -4.501 -0.180 672 HA ARG 89 HA ARG 89 14.110 -4.049 1.429 673 HB2 ARG 89 1HB ARG 89 13.734 -1.967 0.164 674 HB3 ARG 89 2HB ARG 89 15.168 -1.942 1.172 675 HG2 ARG 89 1HG ARG 89 16.568 -2.419 -0.860 676 HG3 ARG 89 2HG ARG 89 15.099 -2.251 -1.850 677 HD2 ARG 89 1HD ARG 89 14.825 0.051 -1.110 678 HD3 ARG 89 2HD ARG 89 16.150 -0.106 0.044 679 HE ARG 89 HE ARG 89 16.330 0.352 -2.832 680 HH11 ARG 89 1HH2 ARG 89 18.187 -0.871 -0.062 681 HH12 ARG 89 2HH2 ARG 89 19.708 -0.551 -0.853 682 HH21 ARG 89 1HH1 ARG 89 18.323 0.732 -3.761 683 HH22 ARG 89 2HH1 ARG 89 19.782 0.350 -2.901 684 H ARG 90 H ARG 90 12.144 -3.953 0.342 685 HA ARG 90 HA ARG 90 11.936 -5.467 -2.239 686 HB2 ARG 90 1HB ARG 90 10.185 -5.910 0.209 687 HB3 ARG 90 2HB ARG 90 10.147 -6.803 -1.305 688 HG2 ARG 90 1HG ARG 90 12.380 -7.753 -0.837 689 HG3 ARG 90 2HG ARG 90 12.495 -6.805 0.654 690 HD2 ARG 90 1HD ARG 90 11.903 -8.967 1.321 691 HD3 ARG 90 2HD ARG 90 10.465 -7.973 1.529 692 HE ARG 90 HE ARG 90 9.685 -8.924 -0.706 693 HH11 ARG 90 1HH1 ARG 90 11.843 -10.958 1.393 694 HH12 ARG 90 2HH1 ARG 90 11.084 -12.375 0.691 695 HH21 ARG 90 1HH2 ARG 90 9.016 -10.864 -1.485 696 HH22 ARG 90 2HH2 ARG 90 9.684 -12.363 -0.773 697 H LYS 91 H LYS 91 10.264 -4.790 -3.573 698 HA LYS 91 HA LYS 91 9.217 -2.146 -3.168 699 HB2 LYS 91 1HB LYS 91 9.108 -4.290 -5.247 700 HB3 LYS 91 2HB LYS 91 7.757 -3.191 -5.268 701 HG2 LYS 91 1HG LYS 91 10.666 -2.289 -5.340 702 HG3 LYS 91 2HG LYS 91 9.698 -2.584 -6.785 703 HD2 LYS 91 1HD LYS 91 8.981 -0.556 -4.637 704 HD3 LYS 91 2HD LYS 91 9.843 -0.161 -6.115 705 HE2 LYS 91 1HE LYS 91 7.998 -0.497 -7.489 706 HE3 LYS 91 2HE LYS 91 7.201 -1.595 -6.368 707 HZ1 LYS 91 3HZ LYS 91 6.166 0.630 -6.476 708 HZ2 LYS 91 1HZ LYS 91 6.602 0.215 -4.961 709 HZ3 LYS 91 2HZ LYS 91 7.515 1.293 -5.818 710 H ILE 92 H ILE 92 7.280 -1.338 -2.667 711 HA ILE 92 HA ILE 92 4.976 -3.160 -2.170 712 HB ILE 92 HB ILE 92 4.200 -1.819 -0.321 713 HG12 ILE 92 1HG1 ILE 92 6.813 -0.317 -0.457 714 HG13 ILE 92 2HG1 ILE 92 5.260 0.308 -1.032 715 HG21 ILE 92 1HG2 ILE 92 5.671 -3.774 0.130 716 HG22 ILE 92 2HG2 ILE 92 7.071 -2.683 0.213 717 HG23 ILE 92 3HG2 ILE 92 5.747 -2.526 1.384 718 HD11 ILE 92 3HD1 ILE 92 5.672 1.271 1.105 719 HD12 ILE 92 1HD1 ILE 92 4.402 0.045 1.340 720 HD13 ILE 92 2HD1 ILE 92 6.081 -0.293 1.828 721 H LYS 93 H LYS 93 2.884 -1.885 -2.221 722 HA LYS 93 HA LYS 93 2.891 0.644 -3.656 723 HB2 LYS 93 1HB LYS 93 1.651 -0.027 -5.600 724 HB3 LYS 93 2HB LYS 93 3.128 -0.978 -5.547 725 HG2 LYS 93 1HG LYS 93 1.945 -2.949 -4.826 726 HG3 LYS 93 2HG LYS 93 0.466 -2.035 -4.494 727 HD2 LYS 93 1HD LYS 93 0.185 -1.514 -6.862 728 HD3 LYS 93 2HD LYS 93 1.646 -2.448 -7.263 729 HE2 LYS 93 1HE LYS 93 0.652 -4.509 -6.550 730 HE3 LYS 93 2HE LYS 93 -0.660 -3.679 -5.699 731 HZ1 LYS 93 3HZ LYS 93 -1.361 -4.620 -7.845 732 HZ2 LYS 93 1HZ LYS 93 -1.614 -3.011 -7.765 733 HZ3 LYS 93 2HZ LYS 93 -0.353 -3.607 -8.643 734 H ARG 94 H ARG 94 0.739 1.484 -4.036 735 HA ARG 94 HA ARG 94 -1.368 0.662 -2.066 736 HB2 ARG 94 1HB ARG 94 -0.664 3.274 -3.460 737 HB3 ARG 94 2HB ARG 94 -2.254 3.003 -2.738 738 HG2 ARG 94 1HG ARG 94 -1.430 2.878 -0.556 739 HG3 ARG 94 2HG ARG 94 0.229 2.535 -1.072 740 HD2 ARG 94 1HD ARG 94 -0.025 4.830 -0.169 741 HD3 ARG 94 2HD ARG 94 0.571 4.774 -1.834 742 HE ARG 94 HE ARG 94 -2.325 5.084 -1.662 743 HH11 ARG 94 1HH1 ARG 94 0.674 6.942 -1.484 744 HH12 ARG 94 2HH1 ARG 94 -0.094 8.396 -2.061 745 HH21 ARG 94 1HH2 ARG 94 -3.188 6.968 -2.599 746 HH22 ARG 94 2HH2 ARG 94 -2.130 8.324 -2.914 747 H ASP 95 H ASP 95 -3.452 0.308 -2.839 748 HA ASP 95 HA ASP 95 -4.126 0.736 -5.663 749 HB2 ASP 95 1HB ASP 95 -3.104 -1.789 -4.940 750 HB3 ASP 95 2HB ASP 95 -4.858 -2.000 -4.889 751 H ILE 96 H ILE 96 -6.416 -0.303 -6.035 752 HA ILE 96 HA ILE 96 -8.251 0.361 -3.765 753 HB ILE 96 HB ILE 96 -8.529 1.240 -6.651 754 HG12 ILE 96 1HG1 ILE 96 -6.812 2.581 -5.479 755 HG13 ILE 96 2HG1 ILE 96 -8.216 3.525 -5.941 756 HG21 ILE 96 1HG2 ILE 96 -10.749 0.885 -5.739 757 HG22 ILE 96 2HG2 ILE 96 -10.330 1.683 -4.204 758 HG23 ILE 96 3HG2 ILE 96 -10.486 2.625 -5.696 759 HD11 ILE 96 3HD1 ILE 96 -7.258 3.927 -3.588 760 HD12 ILE 96 1HD1 ILE 96 -9.014 3.674 -3.716 761 HD13 ILE 96 2HD1 ILE 96 -7.979 2.353 -3.164 762 H ILE 97 H ILE 97 -9.960 -0.903 -3.599 763 HA ILE 97 HA ILE 97 -10.191 -3.323 -5.331 764 HB ILE 97 HB ILE 97 -11.630 -2.622 -2.769 765 HG12 ILE 97 1HG1 ILE 97 -10.254 -4.760 -2.056 766 HG13 ILE 97 2HG1 ILE 97 -9.156 -4.254 -3.335 767 HG21 ILE 97 1HG2 ILE 97 -13.041 -4.004 -4.105 768 HG22 ILE 97 2HG2 ILE 97 -11.706 -5.135 -4.455 769 HG23 ILE 97 3HG2 ILE 97 -12.370 -4.988 -2.807 770 HD11 ILE 97 3HD1 ILE 97 -8.825 -3.453 -0.860 771 HD12 ILE 97 1HD1 ILE 97 -8.558 -2.286 -2.174 772 HD13 ILE 97 2HD1 ILE 97 -10.067 -2.263 -1.222 773 H ASP 98 H ASP 98 -11.953 -3.794 -6.573 774 HA ASP 98 HA ASP 98 -13.696 -1.532 -7.281 775 HB2 ASP 98 1HB ASP 98 -12.343 -2.697 -9.005 776 HB3 ASP 98 2HB ASP 98 -13.199 -4.198 -8.656 777 H ILE 99 H ILE 99 -13.992 -4.685 -5.887 778 HA ILE 99 HA ILE 99 -15.571 -5.749 -4.707 779 HB ILE 99 HB ILE 99 -17.389 -3.364 -5.054 780 HG12 ILE 99 1HG1 ILE 99 -15.263 -2.752 -3.894 781 HG13 ILE 99 2HG1 ILE 99 -16.694 -2.579 -2.903 782 HG21 ILE 99 1HG2 ILE 99 -18.716 -5.262 -4.437 783 HG22 ILE 99 2HG2 ILE 99 -17.597 -5.695 -3.130 784 HG23 ILE 99 3HG2 ILE 99 -18.550 -4.201 -3.041 785 HD11 ILE 99 3HD1 ILE 99 -14.732 -3.550 -1.697 786 HD12 ILE 99 1HD1 ILE 99 -16.169 -4.577 -1.632 787 HD13 ILE 99 2HD1 ILE 99 -14.834 -4.989 -2.730 788 HA PRO 100 HA PRO 100 -17.747 -7.666 -8.141 789 HB2 PRO 100 1HB PRO 100 -18.472 -10.022 -6.993 790 HB3 PRO 100 2HB PRO 100 -16.772 -9.623 -7.360 791 HG2 PRO 100 1HG PRO 100 -18.237 -9.339 -4.709 792 HG3 PRO 100 2HG PRO 100 -16.640 -10.093 -5.005 793 HD2 PRO 100 1HD PRO 100 -16.935 -7.488 -4.155 794 HD3 PRO 100 2HD PRO 100 -15.592 -8.002 -5.212 795 H LYS 101 H LYS 101 -19.879 -8.444 -8.677 796 HA LYS 101 HA LYS 101 -22.013 -6.869 -7.605 797 HB2 LYS 101 1HB LYS 101 -23.471 -8.117 -9.078 798 HB3 LYS 101 2HB LYS 101 -21.983 -7.662 -9.902 799 HG2 LYS 101 1HG LYS 101 -21.112 -9.995 -9.584 800 HG3 LYS 101 2HG LYS 101 -22.648 -10.437 -8.810 801 HD2 LYS 101 1HD LYS 101 -23.869 -9.843 -10.884 802 HD3 LYS 101 2HD LYS 101 -22.333 -9.395 -11.660 803 HE2 LYS 101 1HE LYS 101 -21.496 -11.716 -11.332 804 HE3 LYS 101 2HE LYS 101 -23.027 -12.162 -10.566 805 HZ1 LYS 101 3HZ LYS 101 -22.994 -12.782 -12.908 806 HZ2 LYS 101 1HZ LYS 101 -24.148 -11.654 -12.665 807 HZ3 LYS 101 2HZ LYS 101 -22.734 -11.240 -13.374 808 H LYS 102 H LYS 102 -20.968 -10.125 -6.778 809 HA LYS 102 HA LYS 102 -23.118 -10.944 -5.103 810 HB2 LYS 102 1HB LYS 102 -21.260 -12.323 -6.047 811 HB3 LYS 102 2HB LYS 102 -20.140 -11.581 -4.896 812 HG2 LYS 102 1HG LYS 102 -21.448 -12.521 -3.009 813 HG3 LYS 102 2HG LYS 102 -22.608 -13.225 -4.145 814 HD2 LYS 102 1HD LYS 102 -19.637 -13.914 -3.983 815 HD3 LYS 102 2HD LYS 102 -20.946 -14.846 -3.241 816 HE2 LYS 102 1HE LYS 102 -21.952 -15.222 -5.496 817 HE3 LYS 102 2HE LYS 102 -20.603 -14.347 -6.234 818 HZ1 LYS 102 3HZ LYS 102 -20.233 -16.737 -6.280 819 HZ2 LYS 102 1HZ LYS 102 -19.102 -16.036 -5.334 820 HZ3 LYS 102 2HZ LYS 102 -20.350 -16.847 -4.655 821 H GLY 103 H GLY 103 -20.639 -8.556 -4.504 822 HA2 GLY 103 1HA GLY 103 -21.021 -8.423 -1.592 823 HA3 GLY 103 2HA GLY 103 -20.014 -7.371 -2.622 824 H VAL 104 H VAL 104 -22.812 -7.190 -4.198 825 HA VAL 104 HA VAL 104 -23.522 -4.622 -2.917 826 HB VAL 104 HB VAL 104 -24.610 -5.865 -5.475 827 HG11 VAL 104 1HG1 VAL 104 -26.201 -4.241 -4.508 828 HG12 VAL 104 2HG1 VAL 104 -24.897 -3.048 -4.328 829 HG13 VAL 104 3HG1 VAL 104 -25.428 -3.563 -5.943 830 HG21 VAL 104 3HG2 VAL 104 -23.184 -4.190 -6.621 831 HG22 VAL 104 1HG2 VAL 104 -22.501 -3.696 -5.056 832 HG23 VAL 104 2HG2 VAL 104 -22.205 -5.327 -5.692 833 H SER 105 H SER 105 -24.844 -4.671 -1.269 834 HA SER 105 HA SER 105 -27.533 -5.765 -1.302 835 HB2 SER 105 1HB SER 105 -25.371 -7.072 0.393 836 HB3 SER 105 2HB SER 105 -27.061 -7.048 0.907 837 HG SER 105 HG SER 105 -26.209 -8.073 -1.610 838 H GLY 106 H GLY 106 -28.791 -4.970 0.482 839 HA2 GLY 106 1HA GLY 106 -27.832 -2.457 1.627 840 HA3 GLY 106 2HA GLY 106 -29.437 -3.175 1.841 841 HA PRO 107 HA PRO 107 -26.599 -4.063 5.592 842 HB2 PRO 107 1HB PRO 107 -26.812 -1.891 7.216 843 HB3 PRO 107 2HB PRO 107 -25.640 -1.953 5.863 844 HG2 PRO 107 1HG PRO 107 -28.402 -0.685 5.872 845 HG3 PRO 107 2HG PRO 107 -26.855 0.045 5.336 846 HD2 PRO 107 1HD PRO 107 -28.600 -1.118 3.580 847 HD3 PRO 107 2HD PRO 107 -26.827 -1.230 3.358 848 H SER 108 H SER 108 -27.389 -4.786 7.642 849 HA SER 108 HA SER 108 -30.163 -5.404 7.810 850 HB2 SER 108 1HB SER 108 -28.076 -5.494 10.015 851 HB3 SER 108 2HB SER 108 -29.602 -6.391 9.959 852 HG SER 108 HG SER 108 -27.813 -7.687 9.292 853 H SER 109 H SER 109 -28.659 -2.470 8.658 854 HA SER 109 HA SER 109 -30.366 -1.680 10.875 855 HB2 SER 109 1HB SER 109 -28.661 0.031 9.030 856 HB3 SER 109 2HB SER 109 -29.294 0.485 10.620 857 HG SER 109 HG SER 109 -27.095 -0.190 10.738 858 H GLY 110 H GLY 110 -31.074 -1.938 7.558 859 HA2 GLY 110 1HA GLY 110 -33.675 -0.779 7.759 860 HA3 GLY 110 2HA GLY 110 -32.608 0.388 6.978 861 H5'1 ATP 201 H5" ATP 111 12.125 -14.085 5.009 862 H5'2 ATP 201 H5' ATP 111 11.643 -12.792 6.105 863 H4' ATP 201 H4' ATP 111 9.914 -14.517 5.826 864 H3' ATP 201 H3' ATP 111 10.516 -14.663 3.161 865 HO3' ATP 201 H3T ATP 111 8.260 -15.506 2.999 866 H2' ATP 201 H2' ATP 111 9.806 -12.461 2.681 867 HO2' ATP 201 2HO ATP 111 8.766 -13.670 1.173 868 H1' ATP 201 H1' ATP 111 7.314 -12.915 4.340 869 H8 ATP 201 8H ATP 111 10.058 -10.282 3.392 870 HN61 ATP 201 2H6 ATP 111 6.899 -6.581 2.854 871 HN62 ATP 201 1H6 ATP 111 5.228 -6.363 3.390 872 H2 ATP 201 2H ATP 111 3.898 -10.045 5.218 Start of MODEL 15 1 HA PRO 1 HA PRO 1 3.697 14.249 25.184 2 HB2 PRO 1 1HB PRO 1 4.870 16.433 23.468 3 HB3 PRO 1 2HB PRO 1 3.568 16.514 24.691 4 HG2 PRO 1 1HG PRO 1 6.422 16.968 25.052 5 HG3 PRO 1 2HG PRO 1 5.168 17.003 26.325 6 HD2 PRO 1 1HD PRO 1 7.150 15.087 26.249 7 HD3 PRO 1 2HD PRO 1 5.527 14.808 26.925 8 H SER 2 H SER 2 2.140 14.499 23.333 9 HA SER 2 HA SER 2 2.907 13.815 20.634 10 HB2 SER 2 1HB SER 2 3.107 11.583 21.836 11 HB3 SER 2 2HB SER 2 1.370 11.681 22.157 12 HG SER 2 HG SER 2 1.898 10.491 20.225 13 H SER 3 H SER 3 0.837 13.366 19.319 14 HA SER 3 HA SER 3 -1.737 14.301 20.187 15 HB2 SER 3 1HB SER 3 0.054 16.274 18.720 16 HB3 SER 3 2HB SER 3 -1.707 16.349 18.614 17 HG SER 3 HG SER 3 -0.430 16.252 21.135 18 H GLY 4 H GLY 4 -3.317 14.152 18.528 19 HA2 GLY 4 1HA GLY 4 -2.634 12.408 16.245 20 HA3 GLY 4 2HA GLY 4 -4.250 12.915 16.770 21 H SER 5 H SER 5 -3.905 12.896 14.178 22 HA SER 5 HA SER 5 -3.085 15.566 13.157 23 HB2 SER 5 1HB SER 5 -4.177 13.111 11.738 24 HB3 SER 5 2HB SER 5 -3.684 14.622 10.956 25 HG SER 5 HG SER 5 -1.977 13.004 12.588 26 H SER 6 H SER 6 -4.500 17.233 13.337 27 HA SER 6 HA SER 6 -7.363 16.740 13.749 28 HB2 SER 6 1HB SER 6 -7.344 19.161 14.334 29 HB3 SER 6 2HB SER 6 -6.212 18.182 15.276 30 HG SER 6 HG SER 6 -5.262 20.158 14.515 31 H GLY 7 H GLY 7 -5.581 17.237 10.959 32 HA2 GLY 7 1HA GLY 7 -7.970 18.137 9.429 33 HA3 GLY 7 2HA GLY 7 -6.489 19.071 9.272 34 H PHE 8 H PHE 8 -7.582 18.017 7.072 35 HA PHE 8 HA PHE 8 -6.466 15.444 6.320 36 HB2 PHE 8 1HB PHE 8 -7.734 17.644 4.643 37 HB3 PHE 8 2HB PHE 8 -7.399 16.007 4.102 38 HD1 PHE 8 1HD PHE 8 -8.523 14.040 5.369 39 HD2 PHE 8 2HD PHE 8 -9.830 18.139 5.685 40 HE1 PHE 8 1HE PHE 8 -10.736 13.273 6.196 41 HE2 PHE 8 2HE PHE 8 -12.040 17.367 6.512 42 HZ PHE 8 HZ PHE 8 -12.497 14.935 6.770 43 H LEU 9 H LEU 9 -5.042 15.101 4.504 44 HA LEU 9 HA LEU 9 -3.117 17.154 3.715 45 HB2 LEU 9 1HB LEU 9 -2.380 16.392 5.996 46 HB3 LEU 9 2HB LEU 9 -2.334 14.738 5.398 47 HG LEU 9 HG LEU 9 -0.479 15.322 3.867 48 HD11 LEU 9 1HD1 LEU 9 -0.950 17.716 3.439 49 HD12 LEU 9 2HD1 LEU 9 -0.644 18.093 5.148 50 HD13 LEU 9 3HD1 LEU 9 0.673 17.519 4.104 51 HD21 LEU 9 3HD2 LEU 9 1.233 15.648 5.595 52 HD22 LEU 9 1HD2 LEU 9 -0.013 16.163 6.755 53 HD23 LEU 9 2HD2 LEU 9 -0.011 14.501 6.123 54 H ASP 10 H ASP 10 -1.663 16.392 2.062 55 HA ASP 10 HA ASP 10 -2.432 13.898 0.624 56 HB2 ASP 10 1HB ASP 10 -2.230 16.701 -0.533 57 HB3 ASP 10 2HB ASP 10 -2.308 15.230 -1.495 58 H LYS 11 H LYS 11 -0.869 13.144 -0.868 59 HA LYS 11 HA LYS 11 1.931 14.111 -0.585 60 HB2 LYS 11 1HB LYS 11 0.718 11.395 0.011 61 HB3 LYS 11 2HB LYS 11 2.343 11.463 -0.619 62 HG2 LYS 11 1HG LYS 11 2.295 13.431 1.449 63 HG3 LYS 11 2HG LYS 11 1.377 12.060 2.076 64 HD2 LYS 11 1HD LYS 11 3.301 10.561 1.486 65 HD3 LYS 11 2HD LYS 11 4.210 11.972 0.927 66 HE2 LYS 11 1HE LYS 11 3.107 11.666 3.765 67 HE3 LYS 11 2HE LYS 11 4.719 11.125 3.297 68 HZ1 LYS 11 3HZ LYS 11 4.796 13.338 4.252 69 HZ2 LYS 11 1HZ LYS 11 5.262 13.413 2.684 70 HZ3 LYS 11 2HZ LYS 11 3.772 13.935 3.121 71 HA PRO 12 HA PRO 12 2.227 13.910 -4.865 72 HB2 PRO 12 1HB PRO 12 4.804 13.161 -5.411 73 HB3 PRO 12 2HB PRO 12 4.370 14.693 -4.606 74 HG2 PRO 12 1HG PRO 12 5.188 12.064 -3.336 75 HG3 PRO 12 2HG PRO 12 5.870 13.692 -2.999 76 HD2 PRO 12 1HD PRO 12 3.947 12.598 -1.414 77 HD3 PRO 12 2HD PRO 12 3.937 14.334 -1.767 78 H THR 13 H THR 13 2.929 12.643 -6.789 79 HA THR 13 HA THR 13 2.689 9.778 -6.895 80 HB THR 13 HB THR 13 0.416 10.348 -6.074 81 HG1 THR 13 1HG THR 13 -0.470 8.957 -7.428 82 HG21 THR 13 3HG2 THR 13 -1.129 11.601 -7.354 83 HG22 THR 13 1HG2 THR 13 0.300 12.618 -7.259 84 HG23 THR 13 2HG2 THR 13 -0.033 11.717 -8.753 85 H LEU 14 H LEU 14 2.087 9.119 -9.123 86 HA LEU 14 HA LEU 14 3.590 10.747 -11.136 87 HB2 LEU 14 1HB LEU 14 2.748 7.825 -11.085 88 HB3 LEU 14 2HB LEU 14 3.774 8.554 -12.302 89 HG LEU 14 HG LEU 14 4.780 8.876 -9.483 90 HD11 LEU 14 1HD1 LEU 14 3.780 6.651 -9.363 91 HD12 LEU 14 2HD1 LEU 14 4.678 6.143 -10.814 92 HD13 LEU 14 3HD1 LEU 14 5.555 6.561 -9.320 93 HD21 LEU 14 3HD2 LEU 14 6.918 8.338 -10.532 94 HD22 LEU 14 1HD2 LEU 14 6.104 7.915 -12.055 95 HD23 LEU 14 2HD2 LEU 14 6.082 9.593 -11.466 96 H LEU 15 H LEU 15 0.430 9.745 -10.257 97 HA LEU 15 HA LEU 15 -0.709 9.687 -12.944 98 HB2 LEU 15 1HB LEU 15 -2.255 9.793 -10.342 99 HB3 LEU 15 2HB LEU 15 -2.786 9.181 -11.896 100 HG LEU 15 HG LEU 15 -0.765 7.882 -10.033 101 HD11 LEU 15 1HD1 LEU 15 -3.155 7.680 -9.395 102 HD12 LEU 15 2HD1 LEU 15 -3.517 6.990 -10.991 103 HD13 LEU 15 3HD1 LEU 15 -2.460 6.118 -9.860 104 HD21 LEU 15 3HD2 LEU 15 -0.747 5.983 -11.648 105 HD22 LEU 15 1HD2 LEU 15 -1.668 6.973 -12.803 106 HD23 LEU 15 2HD2 LEU 15 -0.018 7.441 -12.323 107 H SER 16 H SER 16 -2.952 10.791 -13.066 108 HA SER 16 HA SER 16 -2.579 13.704 -13.146 109 HB2 SER 16 1HB SER 16 -4.509 11.698 -14.316 110 HB3 SER 16 2HB SER 16 -4.791 13.396 -14.428 111 HG SER 16 HG SER 16 -3.655 12.580 -16.284 112 HA PRO 17 HA PRO 17 -5.207 14.625 -9.713 113 HB2 PRO 17 1HB PRO 17 -6.582 16.850 -10.543 114 HB3 PRO 17 2HB PRO 17 -4.831 16.855 -10.165 115 HG2 PRO 17 1HG PRO 17 -6.153 16.587 -12.886 116 HG3 PRO 17 2HG PRO 17 -4.805 17.674 -12.412 117 HD2 PRO 17 1HD PRO 17 -4.338 15.297 -13.639 118 HD3 PRO 17 2HD PRO 17 -3.262 15.898 -12.340 119 H GLU 18 H GLU 18 -6.661 13.862 -12.796 120 HA GLU 18 HA GLU 18 -9.377 13.563 -11.728 121 HB2 GLU 18 1HB GLU 18 -8.260 12.668 -14.412 122 HB3 GLU 18 2HB GLU 18 -9.956 12.877 -13.962 123 HG2 GLU 18 1HG GLU 18 -9.467 15.347 -13.607 124 HG3 GLU 18 2HG GLU 18 -7.852 15.064 -14.277 125 H GLU 19 H GLU 19 -6.558 11.499 -12.262 126 HA GLU 19 HA GLU 19 -7.911 8.942 -12.422 127 HB2 GLU 19 1HB GLU 19 -5.077 9.877 -11.874 128 HB3 GLU 19 2HB GLU 19 -5.498 8.197 -11.682 129 HG2 GLU 19 1HG GLU 19 -5.837 9.818 -14.241 130 HG3 GLU 19 2HG GLU 19 -4.478 8.758 -13.873 131 H LEU 20 H LEU 20 -6.170 10.631 -9.873 132 HA LEU 20 HA LEU 20 -6.417 8.711 -7.777 133 HB2 LEU 20 1HB LEU 20 -6.168 11.740 -7.572 134 HB3 LEU 20 2HB LEU 20 -5.690 10.596 -6.339 135 HG LEU 20 HG LEU 20 -4.346 10.283 -9.028 136 HD11 LEU 20 1HD1 LEU 20 -4.519 12.746 -8.656 137 HD12 LEU 20 2HD1 LEU 20 -3.561 12.545 -7.175 138 HD13 LEU 20 3HD1 LEU 20 -2.876 12.113 -8.774 139 HD21 LEU 20 3HD2 LEU 20 -2.426 9.722 -7.705 140 HD22 LEU 20 1HD2 LEU 20 -3.217 10.258 -6.208 141 HD23 LEU 20 2HD2 LEU 20 -3.816 8.822 -7.076 142 H LYS 21 H LYS 21 -8.293 11.621 -8.537 143 HA LYS 21 HA LYS 21 -10.334 11.345 -6.525 144 HB2 LYS 21 1HB LYS 21 -10.060 12.823 -9.154 145 HB3 LYS 21 2HB LYS 21 -11.630 12.733 -8.375 146 HG2 LYS 21 1HG LYS 21 -10.387 14.796 -7.860 147 HG3 LYS 21 2HG LYS 21 -10.913 13.900 -6.440 148 HD2 LYS 21 1HD LYS 21 -8.705 13.134 -5.943 149 HD3 LYS 21 2HD LYS 21 -8.066 13.658 -7.496 150 HE2 LYS 21 1HE LYS 21 -9.180 15.539 -5.367 151 HE3 LYS 21 2HE LYS 21 -7.470 15.131 -5.540 152 HZ1 LYS 21 3HZ LYS 21 -7.941 17.186 -6.688 153 HZ2 LYS 21 1HZ LYS 21 -7.551 16.051 -7.803 154 HZ3 LYS 21 2HZ LYS 21 -9.110 16.499 -7.599 155 H ALA 22 H ALA 22 -10.200 10.070 -9.905 156 HA ALA 22 HA ALA 22 -12.826 8.892 -9.785 157 HB1 ALA 22 1HB ALA 22 -11.678 9.401 -11.895 158 HB2 ALA 22 2HB ALA 22 -10.417 8.203 -11.527 159 HB3 ALA 22 3HB ALA 22 -12.090 7.679 -11.808 160 H ALA 23 H ALA 23 -9.586 7.503 -9.075 161 HA ALA 23 HA ALA 23 -10.446 4.868 -8.426 162 HB1 ALA 23 1HB ALA 23 -8.093 5.568 -8.849 163 HB2 ALA 23 2HB ALA 23 -8.101 6.497 -7.330 164 HB3 ALA 23 3HB ALA 23 -8.255 4.730 -7.296 165 H SER 24 H SER 24 -10.077 7.744 -6.318 166 HA SER 24 HA SER 24 -10.892 6.425 -3.895 167 HB2 SER 24 1HB SER 24 -9.544 8.510 -4.090 168 HB3 SER 24 2HB SER 24 -11.004 9.379 -4.602 169 HG SER 24 HG SER 24 -10.590 9.557 -2.317 170 H ARG 25 H ARG 25 -12.761 8.396 -6.239 171 HA ARG 25 HA ARG 25 -15.228 8.278 -4.771 172 HB2 ARG 25 1HB ARG 25 -14.523 10.022 -6.404 173 HB3 ARG 25 2HB ARG 25 -14.751 8.872 -7.713 174 HG2 ARG 25 1HG ARG 25 -16.624 10.419 -7.504 175 HG3 ARG 25 2HG ARG 25 -17.162 8.762 -7.247 176 HD2 ARG 25 1HD ARG 25 -17.231 9.145 -4.811 177 HD3 ARG 25 2HD ARG 25 -16.569 10.780 -5.036 178 HE ARG 25 HE ARG 25 -18.912 10.530 -6.618 179 HH11 ARG 25 1HH1 ARG 25 -18.095 10.686 -3.178 180 HH12 ARG 25 2HH1 ARG 25 -19.640 11.357 -2.748 181 HH21 ARG 25 1HH2 ARG 25 -20.883 11.399 -5.995 182 HH22 ARG 25 2HH2 ARG 25 -21.195 11.756 -4.322 183 H GLY 26 H GLY 26 -13.791 6.153 -7.144 184 HA2 GLY 26 1HA GLY 26 -16.044 4.916 -8.244 185 HA3 GLY 26 2HA GLY 26 -14.429 4.184 -8.151 186 H ASN 27 H ASN 27 -14.539 4.131 -5.148 187 HA ASN 27 HA ASN 27 -16.916 2.661 -4.405 188 HB2 ASN 27 1HB ASN 27 -15.641 0.856 -5.582 189 HB3 ASN 27 2HB ASN 27 -14.313 1.086 -4.448 190 HD21 ASN 27 2HD2 ASN 27 -14.388 -0.897 -3.370 191 HD22 ASN 27 1HD2 ASN 27 -15.761 -1.359 -2.367 192 H GLY 28 H GLY 28 -13.614 3.665 -3.442 193 HA2 GLY 28 1HA GLY 28 -13.122 4.983 -1.567 194 HA3 GLY 28 2HA GLY 28 -14.678 4.559 -0.822 195 H GLU 29 H GLU 29 -13.112 1.784 -1.901 196 HA GLU 29 HA GLU 29 -12.125 0.970 0.754 197 HB2 GLU 29 1HB GLU 29 -13.088 -0.356 -1.621 198 HB3 GLU 29 2HB GLU 29 -11.442 -0.832 -1.373 199 HG2 GLU 29 1HG GLU 29 -12.919 -2.392 -0.203 200 HG3 GLU 29 2HG GLU 29 -11.987 -1.488 0.984 201 H TYR 30 H TYR 30 -9.945 -0.400 0.462 202 HA TYR 30 HA TYR 30 -7.881 0.641 -1.229 203 HB2 TYR 30 1HB TYR 30 -6.554 1.834 0.368 204 HB3 TYR 30 2HB TYR 30 -8.130 2.592 0.294 205 HD1 TYR 30 1HD TYR 30 -9.885 1.867 2.105 206 HD2 TYR 30 2HD TYR 30 -5.668 1.033 2.409 207 HE1 TYR 30 1HE TYR 30 -10.129 1.529 4.572 208 HE2 TYR 30 2HE TYR 30 -5.911 0.636 4.855 209 HH TYR 30 HH TYR 30 -9.060 0.993 6.543 210 H ALA 31 H ALA 31 -5.941 -0.427 -1.032 211 HA ALA 31 HA ALA 31 -5.435 -2.360 1.125 212 HB1 ALA 31 1HB ALA 31 -6.705 -3.813 -0.248 213 HB2 ALA 31 2HB ALA 31 -6.058 -3.137 -1.753 214 HB3 ALA 31 3HB ALA 31 -5.041 -4.155 -0.706 215 H TRP 32 H TRP 32 -3.318 -3.154 1.123 216 HA TRP 32 HA TRP 32 -1.331 -1.705 -0.576 217 HB2 TRP 32 1HB TRP 32 -1.192 -2.421 2.374 218 HB3 TRP 32 2HB TRP 32 0.217 -2.042 1.401 219 HD1 TRP 32 HD TRP 32 -3.151 -0.229 2.102 220 HE1 TRP 32 1HE TRP 32 -2.699 2.284 2.300 221 HE3 TRP 32 3HE TRP 32 1.921 -0.261 1.346 222 HZ2 TRP 32 2HZ TRP 32 -0.394 4.018 2.411 223 HZ3 TRP 32 3HZ TRP 32 3.218 1.846 1.544 224 HH2 TRP 32 HH TRP 32 2.072 3.986 2.068 225 H TYR 33 H TYR 33 0.355 -2.889 -1.337 226 HA TYR 33 HA TYR 33 0.282 -5.855 -1.025 227 HB2 TYR 33 1HB TYR 33 0.307 -4.217 -3.586 228 HB3 TYR 33 2HB TYR 33 0.724 -5.917 -3.526 229 HD1 TYR 33 2HD TYR 33 -2.081 -3.508 -2.901 230 HD2 TYR 33 1HD TYR 33 -0.927 -7.595 -3.672 231 HE1 TYR 33 2HE TYR 33 -4.475 -4.127 -3.195 232 HE2 TYR 33 1HE TYR 33 -3.316 -8.213 -3.963 233 HH TYR 33 HH TYR 33 -5.503 -7.476 -3.950 234 H TYR 34 H TYR 34 2.214 -6.940 -1.514 235 HA TYR 34 HA TYR 34 4.704 -5.335 -1.854 236 HB2 TYR 34 1HB TYR 34 5.804 -6.634 -0.137 237 HB3 TYR 34 2HB TYR 34 4.406 -5.821 0.533 238 HD1 TYR 34 2HD TYR 34 2.405 -7.092 1.261 239 HD2 TYR 34 1HD TYR 34 5.908 -9.084 -0.273 240 HE1 TYR 34 2HE TYR 34 1.588 -9.242 2.199 241 HE2 TYR 34 1HE TYR 34 5.094 -11.238 0.656 242 HH TYR 34 HH TYR 34 3.427 -12.307 1.831 243 H GLU 35 H GLU 35 6.427 -6.478 -2.943 244 HA GLU 35 HA GLU 35 5.575 -8.748 -4.609 245 HB2 GLU 35 1HB GLU 35 8.279 -7.390 -4.309 246 HB3 GLU 35 2HB GLU 35 7.958 -8.792 -5.339 247 HG2 GLU 35 1HG GLU 35 6.061 -7.363 -6.383 248 HG3 GLU 35 2HG GLU 35 6.883 -5.986 -5.636 249 H GLY 36 H GLY 36 5.442 -10.717 -3.910 250 HA2 GLY 36 1HA GLY 36 7.225 -11.852 -1.795 251 HA3 GLY 36 2HA GLY 36 5.756 -12.577 -2.449 252 H ARG 37 H ARG 37 7.069 -14.486 -2.640 253 HA ARG 37 HA ARG 37 9.331 -14.683 -4.359 254 HB2 ARG 37 1HB ARG 37 8.722 -16.244 -2.522 255 HB3 ARG 37 2HB ARG 37 7.342 -16.808 -3.451 256 HG2 ARG 37 1HG ARG 37 9.193 -18.402 -3.540 257 HG3 ARG 37 2HG ARG 37 8.807 -17.795 -5.140 258 HD2 ARG 37 1HD ARG 37 11.213 -17.969 -4.866 259 HD3 ARG 37 2HD ARG 37 10.760 -16.272 -5.053 260 HE ARG 37 HE ARG 37 10.876 -17.041 -2.264 261 HH11 ARG 37 1HH1 ARG 37 13.039 -16.222 -4.938 262 HH12 ARG 37 2HH1 ARG 37 14.290 -15.656 -3.873 263 HH21 ARG 37 1HH2 ARG 37 12.519 -16.271 -0.946 264 HH22 ARG 37 2HH2 ARG 37 13.997 -15.689 -1.644 265 H ASN 38 H ASN 38 5.892 -14.893 -5.075 266 HA ASN 38 HA ASN 38 6.454 -15.541 -7.927 267 HB2 ASN 38 1HB ASN 38 4.754 -17.118 -7.927 268 HB3 ASN 38 2HB ASN 38 5.845 -17.459 -6.579 269 HD21 ASN 38 2HD2 ASN 38 2.850 -17.960 -7.232 270 HD22 ASN 38 1HD2 ASN 38 2.058 -17.522 -5.721 271 H GLY 39 H GLY 39 5.035 -13.235 -6.110 272 HA2 GLY 39 1HA GLY 39 4.242 -11.622 -8.263 273 HA3 GLY 39 2HA GLY 39 2.777 -12.439 -7.764 274 H TRP 40 H TRP 40 2.290 -10.022 -7.513 275 HA TRP 40 HA TRP 40 3.046 -8.793 -4.980 276 HB2 TRP 40 1HB TRP 40 0.775 -8.189 -6.907 277 HB3 TRP 40 2HB TRP 40 1.234 -7.206 -5.527 278 HD1 TRP 40 HD TRP 40 2.319 -8.113 -9.043 279 HE1 TRP 40 1HE TRP 40 4.115 -6.503 -9.867 280 HE3 TRP 40 3HE TRP 40 3.181 -5.565 -4.676 281 HZ2 TRP 40 2HZ TRP 40 5.593 -4.231 -8.828 282 HZ3 TRP 40 3HZ TRP 40 4.764 -3.658 -4.642 283 HH2 TRP 40 HH TRP 40 5.958 -2.968 -6.710 284 H TRP 41 H TRP 41 2.145 -9.138 -3.045 285 HA TRP 41 HA TRP 41 -0.479 -10.554 -2.822 286 HB2 TRP 41 1HB TRP 41 2.051 -11.064 -1.216 287 HB3 TRP 41 2HB TRP 41 0.485 -11.839 -0.952 288 HD1 TRP 41 HD TRP 41 3.625 -12.546 -2.547 289 HE1 TRP 41 1HE TRP 41 3.468 -14.254 -4.479 290 HE3 TRP 41 3HE TRP 41 -1.452 -12.601 -3.145 291 HZ2 TRP 41 2HZ TRP 41 1.412 -15.189 -6.287 292 HZ3 TRP 41 3HZ TRP 41 -2.482 -13.851 -4.995 293 HH2 TRP 41 HH TRP 41 -1.068 -15.155 -6.589 294 H GLN 42 H GLN 42 -1.771 -10.048 -1.057 295 HA GLN 42 HA GLN 42 -1.527 -7.220 -0.393 296 HB2 GLN 42 1HB GLN 42 -3.617 -8.497 -1.222 297 HB3 GLN 42 2HB GLN 42 -3.757 -9.102 0.434 298 HG2 GLN 42 1HG GLN 42 -3.740 -6.653 1.191 299 HG3 GLN 42 2HG GLN 42 -3.829 -6.197 -0.505 300 HE21 GLN 42 2HE2 GLN 42 -5.763 -6.098 2.004 301 HE22 GLN 42 1HE2 GLN 42 -7.266 -6.676 1.302 302 H TYR 43 H TYR 43 -1.280 -6.266 1.577 303 HA TYR 43 HA TYR 43 -0.332 -7.745 3.903 304 HB2 TYR 43 1HB TYR 43 -1.091 -4.869 3.332 305 HB3 TYR 43 2HB TYR 43 -0.721 -5.404 4.962 306 HD1 TYR 43 2HD TYR 43 1.548 -6.451 5.463 307 HD2 TYR 43 1HD TYR 43 0.677 -4.309 1.832 308 HE1 TYR 43 2HE TYR 43 3.976 -6.078 5.104 309 HE2 TYR 43 1HE TYR 43 3.104 -3.911 1.471 310 HH TYR 43 HH TYR 43 5.588 -5.190 3.715 311 H ASP 44 H ASP 44 -1.341 -7.787 5.966 312 HA ASP 44 HA ASP 44 -4.081 -8.593 6.044 313 HB2 ASP 44 1HB ASP 44 -2.334 -9.411 7.559 314 HB3 ASP 44 2HB ASP 44 -2.148 -7.799 8.257 315 H GLU 45 H GLU 45 -5.837 -7.623 7.316 316 HA GLU 45 HA GLU 45 -6.346 -4.915 6.461 317 HB2 GLU 45 1HB GLU 45 -8.500 -5.263 7.699 318 HB3 GLU 45 2HB GLU 45 -8.159 -6.444 6.435 319 HG2 GLU 45 1HG GLU 45 -7.576 -8.148 8.043 320 HG3 GLU 45 2HG GLU 45 -7.554 -6.986 9.365 321 H ARG 46 H ARG 46 -5.000 -6.246 9.407 322 HA ARG 46 HA ARG 46 -5.452 -3.715 10.891 323 HB2 ARG 46 1HB ARG 46 -3.923 -6.126 11.866 324 HB3 ARG 46 2HB ARG 46 -4.662 -4.837 12.805 325 HG2 ARG 46 1HG ARG 46 -6.043 -7.154 11.422 326 HG3 ARG 46 2HG ARG 46 -6.044 -6.729 13.127 327 HD2 ARG 46 1HD ARG 46 -7.411 -4.680 12.563 328 HD3 ARG 46 2HD ARG 46 -7.404 -5.201 10.870 329 HE ARG 46 HE ARG 46 -9.023 -6.720 11.254 330 HH11 ARG 46 1HH1 ARG 46 -7.836 -5.838 14.482 331 HH12 ARG 46 2HH1 ARG 46 -9.128 -6.700 15.264 332 HH21 ARG 46 1HH2 ARG 46 -10.579 -7.775 12.277 333 HH22 ARG 46 2HH2 ARG 46 -10.682 -7.807 14.020 334 H THR 47 H THR 47 -3.110 -5.059 8.809 335 HA THR 47 HA THR 47 -0.892 -3.397 9.872 336 HB THR 47 HB THR 47 -0.892 -5.482 7.655 337 HG1 THR 47 1HG THR 47 0.237 -6.633 9.311 338 HG21 THR 47 3HG2 THR 47 1.621 -5.318 8.014 339 HG22 THR 47 1HG2 THR 47 0.904 -3.874 7.271 340 HG23 THR 47 2HG2 THR 47 1.318 -3.859 8.993 341 H SER 48 H SER 48 -2.593 -3.940 6.739 342 HA SER 48 HA SER 48 -1.352 -1.800 5.342 343 HB2 SER 48 1HB SER 48 -3.241 -1.964 3.776 344 HB3 SER 48 2HB SER 48 -2.552 -3.539 4.173 345 HG SER 48 HG SER 48 -4.313 -4.035 5.401 346 H ARG 49 H ARG 49 -4.122 -1.705 7.526 347 HA ARG 49 HA ARG 49 -4.979 0.947 6.932 348 HB2 ARG 49 1HB ARG 49 -6.281 0.795 8.921 349 HB3 ARG 49 2HB ARG 49 -6.268 -0.782 8.141 350 HG2 ARG 49 1HG ARG 49 -5.913 -1.466 10.296 351 HG3 ARG 49 2HG ARG 49 -4.249 -1.279 9.788 352 HD2 ARG 49 1HD ARG 49 -4.435 -0.325 11.960 353 HD3 ARG 49 2HD ARG 49 -4.281 1.034 10.846 354 HE ARG 49 HE ARG 49 -7.052 0.400 11.333 355 HH11 ARG 49 1HH1 ARG 49 -4.276 2.007 12.856 356 HH12 ARG 49 2HH1 ARG 49 -5.299 3.075 13.780 357 HH21 ARG 49 1HH2 ARG 49 -8.303 1.810 12.563 358 HH22 ARG 49 2HH2 ARG 49 -7.543 2.955 13.624 359 H GLU 50 H GLU 50 -2.155 -0.166 8.705 360 HA GLU 50 HA GLU 50 -1.774 2.393 10.136 361 HB2 GLU 50 1HB GLU 50 0.123 0.046 9.727 362 HB3 GLU 50 2HB GLU 50 0.407 1.419 10.782 363 HG2 GLU 50 1HG GLU 50 -1.954 -0.478 11.135 364 HG3 GLU 50 2HG GLU 50 -0.388 -0.719 11.893 365 H LEU 51 H LEU 51 -0.501 0.702 7.279 366 HA LEU 51 HA LEU 51 1.425 2.644 6.440 367 HB2 LEU 51 1HB LEU 51 -0.185 0.748 4.689 368 HB3 LEU 51 2HB LEU 51 1.416 1.410 4.376 369 HG LEU 51 HG LEU 51 0.716 -0.640 6.521 370 HD11 LEU 51 1HD1 LEU 51 0.586 -1.488 4.216 371 HD12 LEU 51 2HD1 LEU 51 2.263 -0.967 3.930 372 HD13 LEU 51 3HD1 LEU 51 1.905 -2.227 5.138 373 HD21 LEU 51 3HD2 LEU 51 3.183 -0.853 6.786 374 HD22 LEU 51 1HD2 LEU 51 3.390 0.564 5.728 375 HD23 LEU 51 2HD2 LEU 51 2.571 0.719 7.301 376 H GLU 52 H GLU 52 -1.986 2.131 5.533 377 HA GLU 52 HA GLU 52 -2.337 4.347 3.829 378 HB2 GLU 52 1HB GLU 52 -3.891 2.361 4.265 379 HB3 GLU 52 2HB GLU 52 -4.372 3.159 5.753 380 HG2 GLU 52 1HG GLU 52 -6.052 3.637 4.171 381 HG3 GLU 52 2HG GLU 52 -5.165 5.128 4.362 382 H ASP 53 H ASP 53 -2.154 4.303 7.374 383 HA ASP 53 HA ASP 53 -3.410 6.933 7.697 384 HB2 ASP 53 1HB ASP 53 -3.430 4.897 9.303 385 HB3 ASP 53 2HB ASP 53 -1.819 5.386 9.769 386 H ALA 54 H ALA 54 -0.213 5.582 7.539 387 HA ALA 54 HA ALA 54 1.301 7.677 8.692 388 HB1 ALA 54 1HB ALA 54 2.199 5.498 8.414 389 HB2 ALA 54 2HB ALA 54 2.016 5.555 6.646 390 HB3 ALA 54 3HB ALA 54 3.211 6.601 7.442 391 H PHE 55 H PHE 55 0.624 7.260 5.150 392 HA PHE 55 HA PHE 55 1.974 9.735 4.501 393 HB2 PHE 55 1HB PHE 55 1.334 9.405 2.319 394 HB3 PHE 55 2HB PHE 55 1.449 7.774 2.918 395 HD1 PHE 55 2HD PHE 55 -0.885 10.452 1.870 396 HD2 PHE 55 1HD PHE 55 -0.491 6.324 3.036 397 HE1 PHE 55 2HE PHE 55 -3.151 9.982 0.958 398 HE2 PHE 55 1HE PHE 55 -2.738 5.851 2.095 399 HZ PHE 55 HZ PHE 55 -4.076 7.670 1.062 400 H SER 56 H SER 56 -1.141 8.970 5.692 401 HA SER 56 HA SER 56 -2.441 11.530 5.078 402 HB2 SER 56 1HB SER 56 -3.522 9.208 5.381 403 HB3 SER 56 2HB SER 56 -3.349 9.483 7.112 404 HG SER 56 HG SER 56 -5.402 10.191 6.293 405 H LYS 57 H LYS 57 -0.632 10.194 7.847 406 HA LYS 57 HA LYS 57 -1.035 12.484 9.618 407 HB2 LYS 57 1HB LYS 57 0.975 10.215 9.449 408 HB3 LYS 57 2HB LYS 57 1.084 11.481 10.672 409 HG2 LYS 57 1HG LYS 57 -0.820 10.783 11.817 410 HG3 LYS 57 2HG LYS 57 -1.514 9.964 10.415 411 HD2 LYS 57 1HD LYS 57 -0.663 8.344 12.099 412 HD3 LYS 57 2HD LYS 57 0.083 8.193 10.520 413 HE2 LYS 57 1HE LYS 57 1.944 7.999 11.852 414 HE3 LYS 57 2HE LYS 57 1.990 9.715 11.500 415 HZ1 LYS 57 3HZ LYS 57 2.278 9.338 13.879 416 HZ2 LYS 57 1HZ LYS 57 0.873 10.133 13.639 417 HZ3 LYS 57 2HZ LYS 57 0.860 8.536 13.983 418 H GLY 58 H GLY 58 1.490 11.467 7.310 419 HA2 GLY 58 1HA GLY 58 2.307 13.306 5.825 420 HA3 GLY 58 2HA GLY 58 2.657 14.238 7.296 421 H LYS 59 H LYS 59 3.442 11.115 8.182 422 HA LYS 59 HA LYS 59 6.249 11.617 7.915 423 HB2 LYS 59 1HB LYS 59 6.456 9.217 8.749 424 HB3 LYS 59 2HB LYS 59 5.668 10.372 9.806 425 HG2 LYS 59 1HG LYS 59 3.504 9.487 9.416 426 HG3 LYS 59 2HG LYS 59 4.044 8.617 7.975 427 HD2 LYS 59 1HD LYS 59 3.661 7.104 9.890 428 HD3 LYS 59 2HD LYS 59 5.315 7.059 9.297 429 HE2 LYS 59 1HE LYS 59 6.006 8.581 11.174 430 HE3 LYS 59 2HE LYS 59 4.352 8.520 11.793 431 HZ1 LYS 59 3HZ LYS 59 5.685 6.884 12.925 432 HZ2 LYS 59 1HZ LYS 59 4.661 6.048 11.955 433 HZ3 LYS 59 2HZ LYS 59 6.227 6.236 11.532 434 H LYS 60 H LYS 60 7.808 10.307 6.921 435 HA LYS 60 HA LYS 60 7.072 9.617 4.113 436 HB2 LYS 60 1HB LYS 60 9.180 10.354 3.478 437 HB3 LYS 60 2HB LYS 60 8.642 11.521 4.674 438 HG2 LYS 60 1HG LYS 60 10.093 10.306 6.366 439 HG3 LYS 60 2HG LYS 60 10.702 9.313 5.024 440 HD2 LYS 60 1HD LYS 60 11.395 11.464 3.862 441 HD3 LYS 60 2HD LYS 60 10.901 12.343 5.305 442 HE2 LYS 60 1HE LYS 60 13.286 12.066 5.352 443 HE3 LYS 60 2HE LYS 60 12.590 11.100 6.654 444 HZ1 LYS 60 3HZ LYS 60 14.356 9.978 5.281 445 HZ2 LYS 60 1HZ LYS 60 12.966 9.124 5.362 446 HZ3 LYS 60 2HZ LYS 60 13.319 9.956 4.004 447 H ASN 61 H ASN 61 7.560 7.975 6.884 448 HA ASN 61 HA ASN 61 7.718 5.444 5.657 449 HB2 ASN 61 1HB ASN 61 9.792 4.547 6.504 450 HB3 ASN 61 2HB ASN 61 10.145 5.890 5.429 451 HD21 ASN 61 2HD2 ASN 61 10.387 8.038 6.566 452 HD22 ASN 61 1HD2 ASN 61 11.312 8.062 8.058 453 H THR 62 H THR 62 7.014 3.897 7.030 454 HA THR 62 HA THR 62 6.701 4.524 9.945 455 HB THR 62 HB THR 62 4.631 5.067 8.577 456 HG1 THR 62 1HG THR 62 3.375 4.063 10.284 457 HG21 THR 62 3HG2 THR 62 3.092 3.217 8.105 458 HG22 THR 62 1HG2 THR 62 4.565 3.036 7.139 459 HG23 THR 62 2HG2 THR 62 4.310 2.021 8.574 460 H GLU 63 H GLU 63 5.579 2.387 10.952 461 HA GLU 63 HA GLU 63 7.461 0.145 10.335 462 HB2 GLU 63 1HB GLU 63 6.829 1.529 12.973 463 HB3 GLU 63 2HB GLU 63 7.570 -0.070 12.872 464 HG2 GLU 63 1HG GLU 63 9.418 0.821 11.537 465 HG3 GLU 63 2HG GLU 63 8.722 2.439 11.586 466 H MET 64 H MET 64 6.785 -1.872 10.706 467 HA MET 64 HA MET 64 4.083 -2.463 11.757 468 HB2 MET 64 1HB MET 64 3.559 -3.749 9.656 469 HB3 MET 64 2HB MET 64 3.535 -1.993 9.480 470 HG2 MET 64 1HG MET 64 5.703 -1.999 8.404 471 HG3 MET 64 2HG MET 64 5.945 -3.708 8.775 472 HE1 MET 64 3HE MET 64 5.985 -3.578 5.011 473 HE2 MET 64 1HE MET 64 6.880 -3.162 6.479 474 HE3 MET 64 2HE MET 64 6.322 -4.836 6.220 475 H LEU 65 H LEU 65 3.706 -4.577 12.268 476 HA LEU 65 HA LEU 65 6.085 -6.313 12.594 477 HB2 LEU 65 1HB LEU 65 4.250 -5.356 14.474 478 HB3 LEU 65 2HB LEU 65 3.570 -6.915 14.086 479 HG LEU 65 HG LEU 65 4.952 -7.040 16.031 480 HD11 LEU 65 1HD1 LEU 65 4.978 -9.034 14.599 481 HD12 LEU 65 2HD1 LEU 65 6.474 -8.452 13.832 482 HD13 LEU 65 3HD1 LEU 65 6.461 -8.852 15.551 483 HD21 LEU 65 3HD2 LEU 65 7.307 -6.488 16.096 484 HD22 LEU 65 1HD2 LEU 65 7.317 -6.123 14.360 485 HD23 LEU 65 2HD2 LEU 65 6.390 -5.096 15.474 486 H ILE 66 H ILE 66 6.060 -8.342 11.951 487 HA ILE 66 HA ILE 66 3.753 -9.377 10.305 488 HB ILE 66 HB ILE 66 5.226 -10.304 8.736 489 HG12 ILE 66 1HG1 ILE 66 7.728 -8.975 9.396 490 HG13 ILE 66 2HG1 ILE 66 7.264 -9.979 10.748 491 HG21 ILE 66 1HG2 ILE 66 4.386 -7.964 8.504 492 HG22 ILE 66 2HG2 ILE 66 5.943 -7.374 9.113 493 HG23 ILE 66 3HG2 ILE 66 5.862 -8.316 7.604 494 HD11 ILE 66 3HD1 ILE 66 8.694 -11.090 8.934 495 HD12 ILE 66 1HD1 ILE 66 7.270 -11.979 9.474 496 HD13 ILE 66 2HD1 ILE 66 7.225 -11.094 7.945 497 H ALA 67 H ALA 67 5.086 -11.925 9.803 498 HA ALA 67 HA ALA 67 4.081 -13.501 11.890 499 HB1 ALA 67 1HB ALA 67 4.492 -14.206 9.532 500 HB2 ALA 67 2HB ALA 67 6.249 -14.116 9.822 501 HB3 ALA 67 3HB ALA 67 5.264 -15.313 10.686 502 H GLY 68 H GLY 68 7.125 -11.834 11.913 503 HA2 GLY 68 1HA GLY 68 7.749 -12.644 14.577 504 HA3 GLY 68 2HA GLY 68 8.725 -13.591 13.474 505 H PHE 69 H PHE 69 8.042 -10.292 12.470 506 HA PHE 69 HA PHE 69 10.684 -9.291 13.327 507 HB2 PHE 69 1HB PHE 69 9.945 -9.751 10.404 508 HB3 PHE 69 2HB PHE 69 11.327 -8.839 10.953 509 HD1 PHE 69 2HD PHE 69 13.293 -9.929 11.955 510 HD2 PHE 69 1HD PHE 69 9.957 -12.234 10.473 511 HE1 PHE 69 2HE PHE 69 14.703 -11.971 11.944 512 HE2 PHE 69 1HE PHE 69 11.372 -14.268 10.460 513 HZ PHE 69 HZ PHE 69 13.745 -14.144 11.196 514 H LEU 70 H LEU 70 11.006 -7.082 12.955 515 HA LEU 70 HA LEU 70 8.591 -5.431 12.395 516 HB2 LEU 70 1HB LEU 70 10.107 -5.127 14.482 517 HB3 LEU 70 2HB LEU 70 11.323 -4.549 13.357 518 HG LEU 70 HG LEU 70 10.341 -2.683 14.398 519 HD11 LEU 70 1HD1 LEU 70 10.684 -2.500 11.863 520 HD12 LEU 70 2HD1 LEU 70 8.909 -2.611 11.740 521 HD13 LEU 70 3HD1 LEU 70 9.655 -1.295 12.645 522 HD21 LEU 70 3HD2 LEU 70 7.935 -2.126 14.314 523 HD22 LEU 70 1HD2 LEU 70 7.599 -3.707 13.581 524 HD23 LEU 70 2HD2 LEU 70 8.269 -3.609 15.224 525 H TYR 71 H TYR 71 8.378 -4.615 10.463 526 HA TYR 71 HA TYR 71 10.757 -4.125 8.717 527 HB2 TYR 71 1HB TYR 71 7.968 -4.897 7.868 528 HB3 TYR 71 2HB TYR 71 9.232 -4.357 6.767 529 HD1 TYR 71 1HD TYR 71 11.620 -5.890 7.913 530 HD2 TYR 71 2HD TYR 71 7.579 -7.098 7.046 531 HE1 TYR 71 1HE TYR 71 12.363 -8.239 7.721 532 HE2 TYR 71 2HE TYR 71 8.283 -9.433 6.948 533 HH TYR 71 HH TYR 71 10.121 -10.929 7.036 534 H VAL 72 H VAL 72 11.116 -2.190 8.036 535 HA VAL 72 HA VAL 72 9.381 0.071 8.813 536 HB VAL 72 HB VAL 72 12.085 0.131 7.432 537 HG11 VAL 72 1HG1 VAL 72 10.747 2.216 7.156 538 HG12 VAL 72 2HG1 VAL 72 10.547 2.311 8.922 539 HG13 VAL 72 3HG1 VAL 72 12.154 2.483 8.193 540 HG21 VAL 72 3HG2 VAL 72 13.033 0.750 9.640 541 HG22 VAL 72 1HG2 VAL 72 11.469 0.381 10.399 542 HG23 VAL 72 2HG2 VAL 72 12.416 -0.900 9.607 543 H ALA 73 H ALA 73 7.879 0.694 7.378 544 HA ALA 73 HA ALA 73 8.045 -0.050 4.493 545 HB1 ALA 73 1HB ALA 73 5.971 -0.638 5.675 546 HB2 ALA 73 2HB ALA 73 5.770 1.047 6.200 547 HB3 ALA 73 3HB ALA 73 5.665 0.634 4.476 548 H ASP 74 H ASP 74 9.130 1.377 3.317 549 HA ASP 74 HA ASP 74 9.371 4.217 4.072 550 HB2 ASP 74 1HB ASP 74 11.363 2.913 3.437 551 HB3 ASP 74 2HB ASP 74 10.649 2.590 1.857 552 H LEU 75 H LEU 75 7.900 5.594 3.414 553 HA LEU 75 HA LEU 75 6.036 4.994 1.221 554 HB2 LEU 75 1HB LEU 75 6.231 7.162 3.347 555 HB3 LEU 75 2HB LEU 75 5.139 7.301 1.994 556 HG LEU 75 HG LEU 75 3.882 5.374 2.653 557 HD11 LEU 75 1HD1 LEU 75 5.521 3.904 3.706 558 HD12 LEU 75 2HD1 LEU 75 5.673 5.049 5.067 559 HD13 LEU 75 3HD1 LEU 75 4.143 4.208 4.768 560 HD21 LEU 75 3HD2 LEU 75 2.809 6.354 4.562 561 HD22 LEU 75 1HD2 LEU 75 4.322 7.103 5.125 562 HD23 LEU 75 2HD2 LEU 75 3.523 7.704 3.672 563 H GLU 76 H GLU 76 9.002 6.794 1.561 564 HA GLU 76 HA GLU 76 8.599 8.760 -0.495 565 HB2 GLU 76 1HB GLU 76 11.177 7.418 0.435 566 HB3 GLU 76 2HB GLU 76 11.066 8.795 -0.648 567 HG2 GLU 76 1HG GLU 76 9.812 9.943 1.304 568 HG3 GLU 76 2HG GLU 76 10.418 8.623 2.303 569 H ASN 77 H ASN 77 10.238 5.591 -0.576 570 HA ASN 77 HA ASN 77 10.386 5.626 -3.543 571 HB2 ASN 77 1HB ASN 77 11.727 3.868 -1.446 572 HB3 ASN 77 2HB ASN 77 12.054 3.838 -3.174 573 HD21 ASN 77 2HD2 ASN 77 12.323 5.890 -0.220 574 HD22 ASN 77 1HD2 ASN 77 13.672 6.830 -0.857 575 H MET 78 H MET 78 8.384 4.396 -1.166 576 HA MET 78 HA MET 78 6.879 2.701 -0.910 577 HB2 MET 78 1HB MET 78 6.845 2.644 -3.937 578 HB3 MET 78 2HB MET 78 5.662 1.898 -2.855 579 HG2 MET 78 1HG MET 78 5.997 4.735 -2.209 580 HG3 MET 78 2HG MET 78 5.684 4.521 -3.919 581 HE1 MET 78 3HE MET 78 2.847 3.423 -0.465 582 HE2 MET 78 1HE MET 78 4.398 2.583 -0.673 583 HE3 MET 78 2HE MET 78 4.368 4.329 -0.324 584 H VAL 79 H VAL 79 8.857 1.733 0.001 585 HA VAL 79 HA VAL 79 9.128 -1.046 -0.993 586 HB VAL 79 HB VAL 79 11.549 -1.151 -0.514 587 HG11 VAL 79 1HG1 VAL 79 10.842 -0.911 -2.827 588 HG12 VAL 79 2HG1 VAL 79 10.922 0.864 -2.694 589 HG13 VAL 79 3HG1 VAL 79 12.392 -0.122 -2.538 590 HG21 VAL 79 3HG2 VAL 79 12.921 0.894 -0.377 591 HG22 VAL 79 1HG2 VAL 79 11.451 1.880 -0.300 592 HG23 VAL 79 2HG2 VAL 79 11.835 0.731 1.004 593 H GLN 80 H GLN 80 10.224 -2.453 0.785 594 HA GLN 80 HA GLN 80 9.972 -1.314 3.499 595 HB2 GLN 80 1HB GLN 80 8.530 -3.058 4.306 596 HB3 GLN 80 2HB GLN 80 7.768 -2.292 2.923 597 HG2 GLN 80 1HG GLN 80 7.411 -4.390 2.175 598 HG3 GLN 80 2HG GLN 80 9.076 -4.382 1.663 599 HE21 GLN 80 2HE2 GLN 80 10.682 -5.481 3.137 600 HE22 GLN 80 1HE2 GLN 80 10.056 -6.719 4.240 601 H TYR 81 H TYR 81 11.323 -2.158 5.023 602 HA TYR 81 HA TYR 81 13.042 -4.491 4.435 603 HB2 TYR 81 1HB TYR 81 15.085 -3.022 4.854 604 HB3 TYR 81 2HB TYR 81 14.293 -2.902 3.312 605 HD1 TYR 81 2HD TYR 81 14.473 -1.146 6.649 606 HD2 TYR 81 1HD TYR 81 13.638 -0.832 2.429 607 HE1 TYR 81 2HE TYR 81 14.459 1.329 6.827 608 HE2 TYR 81 1HE TYR 81 13.672 1.621 2.582 609 HH TYR 81 HH TYR 81 13.892 3.461 3.996 610 H ARG 82 H ARG 82 14.482 -5.088 6.204 611 HA ARG 82 HA ARG 82 13.282 -4.784 8.847 612 HB2 ARG 82 1HB ARG 82 14.382 -6.865 7.988 613 HB3 ARG 82 2HB ARG 82 15.942 -6.034 8.041 614 HG2 ARG 82 1HG ARG 82 15.708 -5.748 10.495 615 HG3 ARG 82 2HG ARG 82 14.105 -6.505 10.441 616 HD2 ARG 82 1HD ARG 82 15.101 -8.617 9.681 617 HD3 ARG 82 2HD ARG 82 16.701 -7.851 9.599 618 HE ARG 82 HE ARG 82 15.484 -7.614 12.224 619 HH11 ARG 82 1HH1 ARG 82 17.350 -9.872 10.236 620 HH12 ARG 82 2HH1 ARG 82 18.038 -10.662 11.623 621 HH21 ARG 82 1HH2 ARG 82 16.402 -8.685 13.965 622 HH22 ARG 82 2HH2 ARG 82 17.496 -10.006 13.700 623 H ARG 83 H ARG 83 14.017 -3.613 10.597 624 HA ARG 83 HA ARG 83 15.170 -1.094 10.284 625 HB2 ARG 83 1HB ARG 83 14.998 -2.919 12.709 626 HB3 ARG 83 2HB ARG 83 15.665 -1.288 12.802 627 HG2 ARG 83 1HG ARG 83 13.565 -0.295 12.042 628 HG3 ARG 83 2HG ARG 83 12.865 -1.903 11.805 629 HD2 ARG 83 1HD ARG 83 12.090 -0.891 13.922 630 HD3 ARG 83 2HD ARG 83 12.964 -2.392 14.178 631 HE ARG 83 HE ARG 83 14.764 -1.250 15.146 632 HH11 ARG 83 1HH1 ARG 83 12.204 1.112 14.366 633 HH12 ARG 83 2HH1 ARG 83 13.057 2.381 15.191 634 HH21 ARG 83 1HH2 ARG 83 15.728 0.433 16.227 635 HH22 ARG 83 2HH2 ARG 83 14.974 1.996 16.265 636 H ASN 84 H ASN 84 16.974 -4.111 10.710 637 HA ASN 84 HA ASN 84 19.405 -2.999 11.636 638 HB2 ASN 84 1HB ASN 84 18.669 -5.427 11.664 639 HB3 ASN 84 2HB ASN 84 19.089 -5.514 9.951 640 HD21 ASN 84 2HD2 ASN 84 21.274 -6.112 9.505 641 HD22 ASN 84 1HD2 ASN 84 22.535 -6.000 10.718 642 H GLU 85 H GLU 85 18.160 -3.172 8.303 643 HA GLU 85 HA GLU 85 20.317 -1.570 7.250 644 HB2 GLU 85 1HB GLU 85 21.299 -3.223 5.738 645 HB3 GLU 85 2HB GLU 85 21.558 -3.643 7.420 646 HG2 GLU 85 1HG GLU 85 19.376 -5.147 7.075 647 HG3 GLU 85 2HG GLU 85 19.808 -4.983 5.376 648 H HIS 86 H HIS 86 19.483 -0.354 5.709 649 HA HIS 86 HA HIS 86 16.868 -0.773 4.619 650 HB2 HIS 86 1HB HIS 86 17.306 1.262 3.385 651 HB3 HIS 86 2HB HIS 86 17.856 1.424 5.052 652 HD2 HIS 86 2HD HIS 86 20.420 1.915 5.454 653 HE1 HIS 86 1HE HIS 86 21.739 1.811 1.409 654 HE2 HIS 86 2HE HIS 86 22.420 2.359 3.802 655 H GLY 87 H GLY 87 19.887 -1.939 3.562 656 HA2 GLY 87 1HA GLY 87 19.421 -2.184 0.717 657 HA3 GLY 87 2HA GLY 87 20.659 -3.041 1.662 658 H ARG 88 H ARG 88 18.403 -4.181 3.410 659 HA ARG 88 HA ARG 88 17.674 -6.477 1.678 660 HB2 ARG 88 1HB ARG 88 17.467 -5.975 4.672 661 HB3 ARG 88 2HB ARG 88 16.833 -7.421 3.888 662 HG2 ARG 88 1HG ARG 88 19.757 -6.587 3.707 663 HG3 ARG 88 2HG ARG 88 19.101 -7.677 4.937 664 HD2 ARG 88 1HD ARG 88 18.313 -9.200 3.154 665 HD3 ARG 88 2HD ARG 88 19.050 -8.157 1.928 666 HE ARG 88 HE ARG 88 21.174 -8.567 3.495 667 HH11 ARG 88 1HH1 ARG 88 18.854 -11.056 2.372 668 HH12 ARG 88 2HH1 ARG 88 20.110 -12.259 2.308 669 HH21 ARG 88 1HH2 ARG 88 22.677 -10.200 3.415 670 HH22 ARG 88 2HH2 ARG 88 22.219 -11.799 2.912 671 H ARG 89 H ARG 89 16.419 -4.759 0.456 672 HA ARG 89 HA ARG 89 13.742 -4.281 1.645 673 HB2 ARG 89 1HB ARG 89 13.561 -2.287 0.288 674 HB3 ARG 89 2HB ARG 89 14.961 -2.257 1.351 675 HG2 ARG 89 1HG ARG 89 16.468 -2.744 -0.501 676 HG3 ARG 89 2HG ARG 89 15.086 -2.801 -1.631 677 HD2 ARG 89 1HD ARG 89 14.579 -0.484 -1.230 678 HD3 ARG 89 2HD ARG 89 15.711 -0.400 0.116 679 HE ARG 89 HE ARG 89 16.375 -0.510 -2.789 680 HH11 ARG 89 1HH1 ARG 89 17.630 -0.197 0.504 681 HH12 ARG 89 2HH1 ARG 89 19.086 0.595 -0.023 682 HH21 ARG 89 1HH2 ARG 89 18.322 0.407 -3.416 683 HH22 ARG 89 2HH2 ARG 89 19.504 0.850 -2.223 684 H ARG 90 H ARG 90 11.902 -4.363 0.541 685 HA ARG 90 HA ARG 90 11.790 -5.753 -2.111 686 HB2 ARG 90 1HB ARG 90 10.040 -6.272 0.338 687 HB3 ARG 90 2HB ARG 90 9.793 -6.967 -1.270 688 HG2 ARG 90 1HG ARG 90 12.029 -8.064 -1.130 689 HG3 ARG 90 2HG ARG 90 12.229 -7.418 0.510 690 HD2 ARG 90 1HD ARG 90 10.209 -8.656 1.247 691 HD3 ARG 90 2HD ARG 90 10.044 -9.335 -0.391 692 HE ARG 90 HE ARG 90 12.691 -9.811 0.567 693 HH11 ARG 90 1HH1 ARG 90 9.427 -11.066 1.232 694 HH12 ARG 90 2HH1 ARG 90 10.088 -12.613 1.715 695 HH21 ARG 90 1HH2 ARG 90 13.398 -11.700 1.237 696 HH22 ARG 90 2HH2 ARG 90 12.304 -12.974 1.765 697 H LYS 91 H LYS 91 10.184 -5.035 -3.492 698 HA LYS 91 HA LYS 91 9.211 -2.350 -3.176 699 HB2 LYS 91 1HB LYS 91 9.090 -4.558 -5.183 700 HB3 LYS 91 2HB LYS 91 7.743 -3.466 -5.256 701 HG2 LYS 91 1HG LYS 91 10.672 -2.667 -5.475 702 HG3 LYS 91 2HG LYS 91 9.546 -2.861 -6.817 703 HD2 LYS 91 1HD LYS 91 9.445 -0.736 -4.649 704 HD3 LYS 91 2HD LYS 91 9.822 -0.508 -6.350 705 HE2 LYS 91 1HE LYS 91 7.547 -1.012 -7.018 706 HE3 LYS 91 2HE LYS 91 7.123 -1.539 -5.380 707 HZ1 LYS 91 3HZ LYS 91 6.339 0.666 -5.702 708 HZ2 LYS 91 1HZ LYS 91 7.538 0.695 -4.594 709 HZ3 LYS 91 2HZ LYS 91 7.830 1.231 -6.127 710 H ILE 92 H ILE 92 7.252 -1.471 -2.718 711 HA ILE 92 HA ILE 92 4.909 -3.257 -2.322 712 HB ILE 92 HB ILE 92 4.149 -2.029 -0.386 713 HG12 ILE 92 1HG1 ILE 92 6.744 -0.494 -0.505 714 HG13 ILE 92 2HG1 ILE 92 5.164 0.146 -0.969 715 HG21 ILE 92 1HG2 ILE 92 5.688 -4.000 -0.084 716 HG22 ILE 92 2HG2 ILE 92 7.029 -2.862 0.141 717 HG23 ILE 92 3HG2 ILE 92 5.658 -2.868 1.271 718 HD11 ILE 92 3HD1 ILE 92 5.690 0.975 1.201 719 HD12 ILE 92 1HD1 ILE 92 4.408 -0.243 1.405 720 HD13 ILE 92 2HD1 ILE 92 6.096 -0.637 1.810 721 H LYS 93 H LYS 93 2.837 -2.040 -2.350 722 HA LYS 93 HA LYS 93 2.757 0.549 -3.681 723 HB2 LYS 93 1HB LYS 93 1.656 -0.143 -5.714 724 HB3 LYS 93 2HB LYS 93 3.194 -0.987 -5.594 725 HG2 LYS 93 1HG LYS 93 1.989 -3.022 -4.763 726 HG3 LYS 93 2HG LYS 93 0.448 -2.160 -4.949 727 HD2 LYS 93 1HD LYS 93 0.916 -1.880 -7.381 728 HD3 LYS 93 2HD LYS 93 2.420 -2.807 -7.181 729 HE2 LYS 93 1HE LYS 93 1.081 -4.743 -6.327 730 HE3 LYS 93 2HE LYS 93 -0.404 -3.813 -6.575 731 HZ1 LYS 93 3HZ LYS 93 0.026 -5.288 -8.444 732 HZ2 LYS 93 1HZ LYS 93 0.120 -3.739 -8.952 733 HZ3 LYS 93 2HZ LYS 93 1.487 -4.612 -8.722 734 H ARG 94 H ARG 94 0.504 1.287 -4.088 735 HA ARG 94 HA ARG 94 -1.493 0.186 -2.148 736 HB2 ARG 94 1HB ARG 94 -1.197 2.943 -3.405 737 HB3 ARG 94 2HB ARG 94 -2.657 2.394 -2.569 738 HG2 ARG 94 1HG ARG 94 -1.359 1.982 -0.515 739 HG3 ARG 94 2HG ARG 94 0.108 2.566 -1.312 740 HD2 ARG 94 1HD ARG 94 -0.748 4.359 0.030 741 HD3 ARG 94 2HD ARG 94 -0.987 4.793 -1.649 742 HE ARG 94 HE ARG 94 -3.077 3.983 0.349 743 HH11 ARG 94 1HH1 ARG 94 -2.475 5.223 -2.931 744 HH12 ARG 94 2HH1 ARG 94 -4.128 5.724 -3.115 745 HH21 ARG 94 1HH2 ARG 94 -5.097 4.765 0.091 746 HH22 ARG 94 2HH2 ARG 94 -5.609 5.431 -1.442 747 H ASP 95 H ASP 95 -3.599 -0.156 -2.826 748 HA ASP 95 HA ASP 95 -4.446 0.404 -5.561 749 HB2 ASP 95 1HB ASP 95 -3.343 -2.114 -5.188 750 HB3 ASP 95 2HB ASP 95 -5.056 -2.408 -4.861 751 H ILE 96 H ILE 96 -6.769 -0.697 -5.797 752 HA ILE 96 HA ILE 96 -8.416 -0.044 -3.376 753 HB ILE 96 HB ILE 96 -8.941 0.725 -6.264 754 HG12 ILE 96 1HG1 ILE 96 -7.173 2.143 -5.264 755 HG13 ILE 96 2HG1 ILE 96 -8.634 3.034 -5.651 756 HG21 ILE 96 1HG2 ILE 96 -11.072 0.349 -5.195 757 HG22 ILE 96 2HG2 ILE 96 -10.566 1.181 -3.705 758 HG23 ILE 96 3HG2 ILE 96 -10.841 2.093 -5.206 759 HD11 ILE 96 3HD1 ILE 96 -7.551 3.592 -3.412 760 HD12 ILE 96 1HD1 ILE 96 -9.286 3.201 -3.370 761 HD13 ILE 96 2HD1 ILE 96 -8.103 1.990 -2.859 762 H ILE 97 H ILE 97 -10.127 -1.284 -3.025 763 HA ILE 97 HA ILE 97 -10.588 -3.699 -4.720 764 HB ILE 97 HB ILE 97 -11.754 -3.035 -2.017 765 HG12 ILE 97 1HG1 ILE 97 -10.257 -5.145 -1.460 766 HG13 ILE 97 2HG1 ILE 97 -9.273 -4.572 -2.796 767 HG21 ILE 97 1HG2 ILE 97 -13.220 -4.456 -3.228 768 HG22 ILE 97 2HG2 ILE 97 -11.883 -5.531 -3.724 769 HG23 ILE 97 3HG2 ILE 97 -12.402 -5.435 -2.020 770 HD11 ILE 97 3HD1 ILE 97 -8.824 -3.796 -0.310 771 HD12 ILE 97 1HD1 ILE 97 -8.654 -2.614 -1.628 772 HD13 ILE 97 2HD1 ILE 97 -10.110 -2.630 -0.598 773 H ASP 98 H ASP 98 -12.423 -4.007 -5.822 774 HA ASP 98 HA ASP 98 -14.415 -1.791 -5.963 775 HB2 ASP 98 1HB ASP 98 -13.046 -2.416 -7.965 776 HB3 ASP 98 2HB ASP 98 -13.809 -4.004 -7.955 777 H ILE 99 H ILE 99 -14.167 -5.034 -4.981 778 HA ILE 99 HA ILE 99 -15.494 -6.432 -3.842 779 HB ILE 99 HB ILE 99 -17.776 -4.476 -4.097 780 HG12 ILE 99 1HG1 ILE 99 -15.819 -3.432 -2.977 781 HG13 ILE 99 2HG1 ILE 99 -17.213 -3.601 -1.934 782 HG21 ILE 99 1HG2 ILE 99 -18.593 -6.677 -3.493 783 HG22 ILE 99 2HG2 ILE 99 -17.403 -6.804 -2.185 784 HG23 ILE 99 3HG2 ILE 99 -18.695 -5.590 -2.109 785 HD11 ILE 99 3HD1 ILE 99 -14.984 -4.110 -0.866 786 HD12 ILE 99 1HD1 ILE 99 -16.190 -5.402 -0.701 787 HD13 ILE 99 2HD1 ILE 99 -14.877 -5.558 -1.885 788 HA PRO 100 HA PRO 100 -17.198 -8.622 -7.368 789 HB2 PRO 100 1HB PRO 100 -17.379 -11.125 -6.332 790 HB3 PRO 100 2HB PRO 100 -15.803 -10.335 -6.623 791 HG2 PRO 100 1HG PRO 100 -17.364 -10.488 -4.015 792 HG3 PRO 100 2HG PRO 100 -15.635 -10.881 -4.288 793 HD2 PRO 100 1HD PRO 100 -16.472 -8.433 -3.359 794 HD3 PRO 100 2HD PRO 100 -15.045 -8.610 -4.419 795 H LYS 101 H LYS 101 -19.105 -9.994 -7.896 796 HA LYS 101 HA LYS 101 -21.546 -8.897 -6.913 797 HB2 LYS 101 1HB LYS 101 -22.659 -10.521 -8.300 798 HB3 LYS 101 2HB LYS 101 -21.284 -9.826 -9.154 799 HG2 LYS 101 1HG LYS 101 -19.945 -11.898 -8.569 800 HG3 LYS 101 2HG LYS 101 -21.415 -12.604 -7.887 801 HD2 LYS 101 1HD LYS 101 -21.040 -11.711 -10.779 802 HD3 LYS 101 2HD LYS 101 -20.942 -13.377 -10.190 803 HE2 LYS 101 1HE LYS 101 -23.313 -13.240 -9.419 804 HE3 LYS 101 2HE LYS 101 -23.418 -11.591 -10.054 805 HZ1 LYS 101 3HZ LYS 101 -24.296 -13.199 -11.634 806 HZ2 LYS 101 1HZ LYS 101 -22.973 -12.486 -12.272 807 HZ3 LYS 101 2HZ LYS 101 -22.881 -14.010 -11.687 808 H LYS 102 H LYS 102 -19.828 -11.817 -5.891 809 HA LYS 102 HA LYS 102 -21.790 -12.904 -4.122 810 HB2 LYS 102 1HB LYS 102 -19.729 -14.001 -5.010 811 HB3 LYS 102 2HB LYS 102 -18.744 -12.993 -3.940 812 HG2 LYS 102 1HG LYS 102 -19.856 -14.000 -1.961 813 HG3 LYS 102 2HG LYS 102 -20.881 -14.978 -3.019 814 HD2 LYS 102 1HD LYS 102 -17.836 -15.131 -2.870 815 HD3 LYS 102 2HD LYS 102 -18.957 -16.216 -2.034 816 HE2 LYS 102 1HE LYS 102 -19.903 -16.926 -4.237 817 HE3 LYS 102 2HE LYS 102 -18.731 -15.892 -5.063 818 HZ1 LYS 102 3HZ LYS 102 -17.954 -18.179 -4.943 819 HZ2 LYS 102 1HZ LYS 102 -16.953 -17.226 -4.074 820 HZ3 LYS 102 2HZ LYS 102 -18.038 -18.186 -3.313 821 H GLY 103 H GLY 103 -19.708 -10.123 -3.733 822 HA2 GLY 103 1HA GLY 103 -20.183 -9.770 -0.850 823 HA3 GLY 103 2HA GLY 103 -19.286 -8.699 -1.957 824 H VAL 104 H VAL 104 -22.014 -9.090 -3.603 825 HA VAL 104 HA VAL 104 -23.605 -6.999 -2.200 826 HB VAL 104 HB VAL 104 -23.013 -6.885 -5.185 827 HG11 VAL 104 1HG1 VAL 104 -25.181 -5.839 -4.482 828 HG12 VAL 104 2HG1 VAL 104 -24.314 -4.879 -3.271 829 HG13 VAL 104 3HG1 VAL 104 -24.017 -4.620 -5.002 830 HG21 VAL 104 3HG2 VAL 104 -21.651 -4.864 -4.678 831 HG22 VAL 104 1HG2 VAL 104 -21.784 -5.222 -2.943 832 HG23 VAL 104 2HG2 VAL 104 -20.930 -6.337 -4.034 833 H SER 105 H SER 105 -24.542 -9.111 -1.595 834 HA SER 105 HA SER 105 -26.936 -9.760 -3.084 835 HB2 SER 105 1HB SER 105 -25.170 -11.039 -4.358 836 HB3 SER 105 2HB SER 105 -24.812 -11.930 -2.870 837 HG SER 105 HG SER 105 -26.333 -13.021 -4.252 838 H GLY 106 H GLY 106 -28.271 -11.332 -1.891 839 HA2 GLY 106 1HA GLY 106 -29.216 -12.229 0.021 840 HA3 GLY 106 2HA GLY 106 -27.597 -12.282 0.741 841 HA PRO 107 HA PRO 107 -29.163 -7.884 1.860 842 HB2 PRO 107 1HB PRO 107 -31.668 -7.028 1.205 843 HB3 PRO 107 2HB PRO 107 -30.302 -6.979 0.048 844 HG2 PRO 107 1HG PRO 107 -32.436 -9.130 0.306 845 HG3 PRO 107 2HG PRO 107 -31.917 -8.264 -1.177 846 HD2 PRO 107 1HD PRO 107 -30.909 -10.704 -0.529 847 HD3 PRO 107 2HD PRO 107 -29.873 -9.441 -1.263 848 H SER 108 H SER 108 -30.328 -7.054 3.719 849 HA SER 108 HA SER 108 -31.210 -9.111 5.549 850 HB2 SER 108 1HB SER 108 -31.405 -7.177 7.116 851 HB3 SER 108 2HB SER 108 -29.827 -7.323 6.331 852 HG SER 108 HG SER 108 -30.618 -5.144 6.334 853 H SER 109 H SER 109 -32.985 -7.601 3.157 854 HA SER 109 HA SER 109 -35.537 -7.329 4.586 855 HB2 SER 109 1HB SER 109 -36.384 -6.811 2.299 856 HB3 SER 109 2HB SER 109 -35.050 -5.776 2.826 857 HG SER 109 HG SER 109 -34.804 -6.546 0.643 858 H GLY 110 H GLY 110 -33.844 -10.015 3.407 859 HA2 GLY 110 1HA GLY 110 -35.974 -11.860 3.924 860 HA3 GLY 110 2HA GLY 110 -35.805 -11.654 2.182 861 H5'1 ATP 201 H5" ATP 111 11.796 -14.793 6.537 862 H5'2 ATP 201 H5' ATP 111 11.826 -13.033 6.437 863 H4' ATP 201 H4' ATP 111 9.883 -14.170 7.689 864 H3' ATP 201 H3' ATP 111 9.458 -15.624 5.351 865 HO3' ATP 201 H3T ATP 111 7.523 -16.173 6.372 866 H2' ATP 201 H2' ATP 111 8.866 -13.666 4.094 867 HO2' ATP 201 2HO ATP 111 6.420 -14.699 5.188 868 H1' ATP 201 H1' ATP 111 7.271 -12.833 6.535 869 H8 ATP 201 8H ATP 111 9.712 -10.948 4.146 870 HN61 ATP 201 2H6 ATP 111 6.440 -7.381 2.939 871 HN62 ATP 201 1H6 ATP 111 4.721 -7.257 3.322 872 H2 ATP 201 2H ATP 111 3.685 -10.188 6.232 Start of MODEL 16 1 HA PRO 1 HA PRO 1 21.967 14.903 -1.649 2 HB2 PRO 1 1HB PRO 1 20.033 14.608 -3.952 3 HB3 PRO 1 2HB PRO 1 20.433 16.054 -2.975 4 HG2 PRO 1 1HG PRO 1 21.628 15.184 -5.473 5 HG3 PRO 1 2HG PRO 1 22.141 16.581 -4.481 6 HD2 PRO 1 1HD PRO 1 23.728 14.348 -4.864 7 HD3 PRO 1 2HD PRO 1 23.794 15.387 -3.421 8 H SER 2 H SER 2 19.915 14.655 -0.445 9 HA SER 2 HA SER 2 19.275 11.852 0.104 10 HB2 SER 2 1HB SER 2 17.887 12.898 1.912 11 HB3 SER 2 2HB SER 2 19.607 13.314 1.953 12 HG SER 2 HG SER 2 18.245 15.161 2.260 13 H SER 3 H SER 3 17.939 14.144 -2.032 14 HA SER 3 HA SER 3 15.772 12.344 -2.790 15 HB2 SER 3 1HB SER 3 13.939 13.941 -2.485 16 HB3 SER 3 2HB SER 3 14.649 13.472 -0.936 17 HG SER 3 HG SER 3 14.271 15.749 -1.088 18 H GLY 4 H GLY 4 16.955 15.727 -3.144 19 HA2 GLY 4 1HA GLY 4 17.698 16.864 -5.025 20 HA3 GLY 4 2HA GLY 4 17.584 15.354 -5.957 21 H SER 5 H SER 5 14.639 16.157 -4.409 22 HA SER 5 HA SER 5 13.375 17.702 -6.517 23 HB2 SER 5 1HB SER 5 12.000 15.849 -7.413 24 HB3 SER 5 2HB SER 5 13.708 15.656 -7.796 25 HG SER 5 HG SER 5 13.876 14.120 -6.110 26 H SER 6 H SER 6 10.901 17.585 -6.277 27 HA SER 6 HA SER 6 9.720 16.713 -3.781 28 HB2 SER 6 1HB SER 6 10.394 19.654 -4.185 29 HB3 SER 6 2HB SER 6 9.065 19.125 -3.148 30 HG SER 6 HG SER 6 11.635 18.011 -2.800 31 H GLY 7 H GLY 7 7.419 17.267 -3.680 32 HA2 GLY 7 1HA GLY 7 5.340 17.906 -4.600 33 HA3 GLY 7 2HA GLY 7 6.108 18.250 -6.159 34 H PHE 8 H PHE 8 4.062 17.104 -6.764 35 HA PHE 8 HA PHE 8 3.812 14.257 -6.323 36 HB2 PHE 8 1HB PHE 8 2.386 16.087 -8.291 37 HB3 PHE 8 2HB PHE 8 1.899 14.456 -7.868 38 HD1 PHE 8 2HD PHE 8 1.316 13.936 -5.402 39 HD2 PHE 8 1HD PHE 8 1.591 17.940 -6.987 40 HE1 PHE 8 2HE PHE 8 -0.033 14.785 -3.498 41 HE2 PHE 8 1HE PHE 8 0.243 18.783 -5.081 42 HZ PHE 8 HZ PHE 8 -0.570 17.209 -3.333 43 H LEU 9 H LEU 9 3.815 12.596 -7.860 44 HA LEU 9 HA LEU 9 5.084 12.867 -10.474 45 HB2 LEU 9 1HB LEU 9 7.010 12.863 -8.887 46 HB3 LEU 9 2HB LEU 9 6.399 11.382 -8.157 47 HG LEU 9 HG LEU 9 6.806 10.160 -10.288 48 HD11 LEU 9 1HD1 LEU 9 6.590 11.994 -11.932 49 HD12 LEU 9 2HD1 LEU 9 8.015 12.801 -11.242 50 HD13 LEU 9 3HD1 LEU 9 8.178 11.236 -12.067 51 HD21 LEU 9 3HD2 LEU 9 9.262 10.161 -10.135 52 HD22 LEU 9 1HD2 LEU 9 9.222 11.697 -9.242 53 HD23 LEU 9 2HD2 LEU 9 8.527 10.226 -8.524 54 H ASP 10 H ASP 10 4.643 11.105 -11.792 55 HA ASP 10 HA ASP 10 3.148 8.758 -10.746 56 HB2 ASP 10 1HB ASP 10 2.139 10.751 -12.807 57 HB3 ASP 10 2HB ASP 10 1.470 9.135 -12.597 58 H LYS 11 H LYS 11 3.358 6.946 -11.926 59 HA LYS 11 HA LYS 11 5.498 6.776 -13.878 60 HB2 LYS 11 1HB LYS 11 3.667 4.869 -12.390 61 HB3 LYS 11 2HB LYS 11 4.583 4.271 -13.759 62 HG2 LYS 11 1HG LYS 11 6.456 5.772 -12.202 63 HG3 LYS 11 2HG LYS 11 5.489 4.848 -11.046 64 HD2 LYS 11 1HD LYS 11 5.958 2.776 -12.375 65 HD3 LYS 11 2HD LYS 11 6.981 3.723 -13.466 66 HE2 LYS 11 1HE LYS 11 7.432 3.411 -10.455 67 HE3 LYS 11 2HE LYS 11 8.215 2.419 -11.686 68 HZ1 LYS 11 3HZ LYS 11 9.651 4.229 -11.020 69 HZ2 LYS 11 1HZ LYS 11 9.238 4.436 -12.586 70 HZ3 LYS 11 2HZ LYS 11 8.542 5.356 -11.422 71 HA PRO 12 HA PRO 12 3.300 6.928 -17.629 72 HB2 PRO 12 1HB PRO 12 4.708 5.301 -19.308 73 HB3 PRO 12 2HB PRO 12 5.374 6.799 -18.614 74 HG2 PRO 12 1HG PRO 12 5.707 3.947 -17.629 75 HG3 PRO 12 2HG PRO 12 6.998 5.168 -17.890 76 HD2 PRO 12 1HD PRO 12 5.890 4.681 -15.429 77 HD3 PRO 12 2HD PRO 12 6.437 6.303 -15.894 78 H THR 13 H THR 13 2.355 5.626 -19.418 79 HA THR 13 HA THR 13 1.190 3.033 -19.029 80 HB THR 13 HB THR 13 0.020 4.258 -17.219 81 HG1 THR 13 1HG THR 13 -1.828 3.325 -17.742 82 HG21 THR 13 3HG2 THR 13 -1.461 6.046 -17.626 83 HG22 THR 13 1HG2 THR 13 0.017 6.516 -18.450 84 HG23 THR 13 2HG2 THR 13 -1.345 5.880 -19.396 85 H LEU 14 H LEU 14 -0.646 2.755 -20.537 86 HA LEU 14 HA LEU 14 -0.018 3.955 -23.207 87 HB2 LEU 14 1HB LEU 14 -1.577 1.481 -22.367 88 HB3 LEU 14 2HB LEU 14 -1.208 1.917 -24.025 89 HG LEU 14 HG LEU 14 1.172 1.634 -22.174 90 HD11 LEU 14 1HD1 LEU 14 -0.271 -0.192 -21.458 91 HD12 LEU 14 2HD1 LEU 14 -0.460 -0.743 -23.139 92 HD13 LEU 14 3HD1 LEU 14 1.137 -0.809 -22.349 93 HD21 LEU 14 3HD2 LEU 14 2.185 0.644 -24.163 94 HD22 LEU 14 1HD2 LEU 14 0.629 0.683 -25.021 95 HD23 LEU 14 2HD2 LEU 14 1.441 2.201 -24.573 96 H LEU 15 H LEU 15 -2.375 3.900 -20.704 97 HA LEU 15 HA LEU 15 -4.693 4.514 -22.378 98 HB2 LEU 15 1HB LEU 15 -4.544 4.715 -19.362 99 HB3 LEU 15 2HB LEU 15 -5.963 4.495 -20.371 100 HG LEU 15 HG LEU 15 -3.797 2.438 -19.772 101 HD11 LEU 15 1HD1 LEU 15 -5.473 2.858 -17.993 102 HD12 LEU 15 2HD1 LEU 15 -6.780 2.512 -19.147 103 HD13 LEU 15 3HD1 LEU 15 -5.636 1.235 -18.682 104 HD21 LEU 15 3HD2 LEU 15 -5.180 0.831 -21.083 105 HD22 LEU 15 1HD2 LEU 15 -6.186 2.182 -21.654 106 HD23 LEU 15 2HD2 LEU 15 -4.464 2.084 -22.099 107 H SER 16 H SER 16 -6.176 6.254 -21.216 108 HA SER 16 HA SER 16 -4.931 8.897 -21.691 109 HB2 SER 16 1HB SER 16 -7.682 7.667 -21.887 110 HB3 SER 16 2HB SER 16 -7.502 9.382 -21.797 111 HG SER 16 HG SER 16 -7.524 8.606 -23.994 112 HA PRO 17 HA PRO 17 -5.388 10.270 -17.522 113 HB2 PRO 17 1HB PRO 17 -6.344 12.834 -17.767 114 HB3 PRO 17 2HB PRO 17 -4.680 12.344 -18.206 115 HG2 PRO 17 1HG PRO 17 -7.084 12.619 -20.047 116 HG3 PRO 17 2HG PRO 17 -5.428 13.278 -20.279 117 HD2 PRO 17 1HD PRO 17 -6.174 10.973 -21.457 118 HD3 PRO 17 2HD PRO 17 -4.536 11.157 -20.763 119 H GLU 18 H GLU 18 -8.246 10.314 -19.562 120 HA GLU 18 HA GLU 18 -10.087 10.490 -17.279 121 HB2 GLU 18 1HB GLU 18 -11.857 10.437 -18.942 122 HB3 GLU 18 2HB GLU 18 -10.652 11.670 -19.310 123 HG2 GLU 18 1HG GLU 18 -9.641 10.190 -21.030 124 HG3 GLU 18 2HG GLU 18 -10.832 8.938 -20.660 125 H GLU 19 H GLU 19 -8.368 7.923 -18.722 126 HA GLU 19 HA GLU 19 -10.383 5.830 -18.163 127 HB2 GLU 19 1HB GLU 19 -7.555 5.852 -19.252 128 HB3 GLU 19 2HB GLU 19 -8.320 4.371 -18.743 129 HG2 GLU 19 1HG GLU 19 -9.408 6.264 -20.865 130 HG3 GLU 19 2HG GLU 19 -8.433 4.828 -21.183 131 H LEU 20 H LEU 20 -7.131 6.756 -17.142 132 HA LEU 20 HA LEU 20 -6.703 4.886 -15.064 133 HB2 LEU 20 1HB LEU 20 -5.659 7.738 -15.286 134 HB3 LEU 20 2HB LEU 20 -4.890 6.448 -14.386 135 HG LEU 20 HG LEU 20 -5.303 6.083 -17.376 136 HD11 LEU 20 1HD1 LEU 20 -4.439 8.372 -16.988 137 HD12 LEU 20 2HD1 LEU 20 -3.020 7.675 -16.176 138 HD13 LEU 20 3HD1 LEU 20 -3.341 7.327 -17.902 139 HD21 LEU 20 3HD2 LEU 20 -3.314 4.746 -17.225 140 HD22 LEU 20 1HD2 LEU 20 -3.034 5.231 -15.541 141 HD23 LEU 20 2HD2 LEU 20 -4.434 4.213 -15.961 142 H LYS 21 H LYS 21 -7.817 8.266 -14.866 143 HA LYS 21 HA LYS 21 -8.440 8.254 -12.054 144 HB2 LYS 21 1HB LYS 21 -9.252 9.964 -14.408 145 HB3 LYS 21 2HB LYS 21 -10.101 10.142 -12.883 146 HG2 LYS 21 1HG LYS 21 -8.258 11.760 -13.163 147 HG3 LYS 21 2HG LYS 21 -8.159 10.791 -11.692 148 HD2 LYS 21 1HD LYS 21 -6.337 9.460 -12.584 149 HD3 LYS 21 2HD LYS 21 -6.574 10.129 -14.196 150 HE2 LYS 21 1HE LYS 21 -4.640 11.180 -13.254 151 HE3 LYS 21 2HE LYS 21 -5.926 12.384 -13.371 152 HZ1 LYS 21 3HZ LYS 21 -4.774 12.487 -11.235 153 HZ2 LYS 21 1HZ LYS 21 -6.335 12.078 -10.989 154 HZ3 LYS 21 2HZ LYS 21 -5.161 10.938 -10.888 155 H ALA 22 H ALA 22 -10.450 7.256 -14.857 156 HA ALA 22 HA ALA 22 -12.854 6.900 -13.271 157 HB1 ALA 22 1HB ALA 22 -12.970 7.312 -15.671 158 HB2 ALA 22 2HB ALA 22 -12.079 5.810 -16.013 159 HB3 ALA 22 3HB ALA 22 -13.701 5.745 -15.292 160 H ALA 23 H ALA 23 -10.231 4.652 -14.228 161 HA ALA 23 HA ALA 23 -11.322 2.258 -13.180 162 HB1 ALA 23 1HB ALA 23 -9.262 2.465 -14.597 163 HB2 ALA 23 2HB ALA 23 -8.410 3.177 -13.200 164 HB3 ALA 23 3HB ALA 23 -8.985 1.505 -13.127 165 H SER 24 H SER 24 -9.831 4.957 -11.484 166 HA SER 24 HA SER 24 -9.775 3.528 -8.900 167 HB2 SER 24 1HB SER 24 -7.938 5.010 -9.580 168 HB3 SER 24 2HB SER 24 -9.051 6.388 -9.616 169 HG SER 24 HG SER 24 -7.884 6.205 -7.607 170 H ARG 25 H ARG 25 -11.295 6.586 -10.062 171 HA ARG 25 HA ARG 25 -12.903 6.902 -7.740 172 HB2 ARG 25 1HB ARG 25 -12.914 8.228 -10.478 173 HB3 ARG 25 2HB ARG 25 -13.839 8.771 -9.105 174 HG2 ARG 25 1HG ARG 25 -10.813 8.704 -9.368 175 HG3 ARG 25 2HG ARG 25 -11.857 10.117 -9.317 176 HD2 ARG 25 1HD ARG 25 -11.291 8.198 -7.034 177 HD3 ARG 25 2HD ARG 25 -10.688 9.843 -7.225 178 HE ARG 25 HE ARG 25 -13.318 10.344 -7.278 179 HH11 ARG 25 1HH1 ARG 25 -11.516 8.359 -4.970 180 HH12 ARG 25 2HH1 ARG 25 -12.686 8.614 -3.708 181 HH21 ARG 25 1HH2 ARG 25 -14.783 10.620 -5.617 182 HH22 ARG 25 2HH2 ARG 25 -14.502 9.882 -4.069 183 H GLY 26 H GLY 26 -13.550 5.115 -10.660 184 HA2 GLY 26 1HA GLY 26 -16.443 5.095 -10.510 185 HA3 GLY 26 2HA GLY 26 -15.403 3.926 -11.363 186 H ASN 27 H ASN 27 -13.975 3.461 -8.675 187 HA ASN 27 HA ASN 27 -16.049 1.802 -7.288 188 HB2 ASN 27 1HB ASN 27 -13.133 1.359 -7.879 189 HB3 ASN 27 2HB ASN 27 -13.748 0.811 -6.329 190 HD21 ASN 27 2HD2 ASN 27 -15.280 -0.858 -6.197 191 HD22 ASN 27 1HD2 ASN 27 -15.624 -1.883 -7.601 192 H GLY 28 H GLY 28 -12.978 3.509 -6.446 193 HA2 GLY 28 1HA GLY 28 -12.667 5.163 -4.781 194 HA3 GLY 28 2HA GLY 28 -14.304 4.868 -4.138 195 H GLU 29 H GLU 29 -12.959 1.932 -4.665 196 HA GLU 29 HA GLU 29 -12.232 1.238 -1.947 197 HB2 GLU 29 1HB GLU 29 -12.384 -0.067 -4.665 198 HB3 GLU 29 2HB GLU 29 -11.284 -0.753 -3.534 199 HG2 GLU 29 1HG GLU 29 -13.363 -1.905 -3.243 200 HG3 GLU 29 2HG GLU 29 -13.158 -0.873 -1.829 201 H TYR 30 H TYR 30 -10.086 -0.012 -1.675 202 HA TYR 30 HA TYR 30 -7.757 0.686 -3.158 203 HB2 TYR 30 1HB TYR 30 -6.607 2.114 -1.602 204 HB3 TYR 30 2HB TYR 30 -8.078 2.899 -2.115 205 HD1 TYR 30 2HD TYR 30 -10.185 2.611 -0.535 206 HD2 TYR 30 1HD TYR 30 -6.127 1.804 0.687 207 HE1 TYR 30 2HE TYR 30 -10.856 2.855 1.854 208 HE2 TYR 30 1HE TYR 30 -6.793 2.036 3.068 209 HH TYR 30 HH TYR 30 -8.496 2.460 4.538 210 H ALA 31 H ALA 31 -5.913 -0.401 -2.507 211 HA ALA 31 HA ALA 31 -5.783 -1.869 0.047 212 HB1 ALA 31 1HB ALA 31 -6.928 -3.562 -1.081 213 HB2 ALA 31 2HB ALA 31 -6.188 -3.192 -2.654 214 HB3 ALA 31 3HB ALA 31 -5.254 -4.013 -1.377 215 H TRP 32 H TRP 32 -3.763 -2.610 0.598 216 HA TRP 32 HA TRP 32 -1.429 -1.522 -0.907 217 HB2 TRP 32 1HB TRP 32 -1.831 -2.494 1.944 218 HB3 TRP 32 2HB TRP 32 -0.247 -2.219 1.242 219 HD1 TRP 32 HD TRP 32 -3.367 -0.220 2.251 220 HE1 TRP 32 1HE TRP 32 -2.667 2.198 2.718 221 HE3 TRP 32 3HE TRP 32 1.541 -0.499 0.744 222 HZ2 TRP 32 2HZ TRP 32 -0.264 3.831 2.454 223 HZ3 TRP 32 3HZ TRP 32 2.954 1.539 0.792 224 HH2 TRP 32 HH TRP 32 2.062 3.655 1.650 225 H TYR 33 H TYR 33 0.215 -2.807 -1.616 226 HA TYR 33 HA TYR 33 0.093 -5.760 -1.245 227 HB2 TYR 33 1HB TYR 33 0.252 -4.250 -3.867 228 HB3 TYR 33 2HB TYR 33 0.754 -5.920 -3.714 229 HD1 TYR 33 1HD TYR 33 -2.200 -3.645 -3.419 230 HD2 TYR 33 2HD TYR 33 -0.781 -7.690 -3.920 231 HE1 TYR 33 1HE TYR 33 -4.512 -4.393 -3.913 232 HE2 TYR 33 2HE TYR 33 -3.101 -8.444 -4.401 233 HH TYR 33 HH TYR 33 -5.883 -6.176 -4.429 234 H TYR 34 H TYR 34 2.062 -6.866 -1.611 235 HA TYR 34 HA TYR 34 4.548 -5.278 -1.987 236 HB2 TYR 34 1HB TYR 34 5.649 -6.341 -0.174 237 HB3 TYR 34 2HB TYR 34 4.206 -5.568 0.446 238 HD1 TYR 34 1HD TYR 34 2.165 -7.016 1.017 239 HD2 TYR 34 2HD TYR 34 6.042 -8.678 0.128 240 HE1 TYR 34 1HE TYR 34 1.488 -9.148 2.088 241 HE2 TYR 34 2HE TYR 34 5.373 -10.817 1.203 242 HH TYR 34 HH TYR 34 2.126 -11.290 2.659 243 H GLU 35 H GLU 35 6.301 -6.455 -2.930 244 HA GLU 35 HA GLU 35 5.532 -8.918 -4.369 245 HB2 GLU 35 1HB GLU 35 8.156 -7.381 -4.307 246 HB3 GLU 35 2HB GLU 35 7.871 -8.888 -5.191 247 HG2 GLU 35 1HG GLU 35 5.856 -7.642 -6.277 248 HG3 GLU 35 2HG GLU 35 6.641 -6.172 -5.683 249 H GLY 36 H GLY 36 5.533 -10.789 -3.398 250 HA2 GLY 36 1HA GLY 36 7.519 -11.453 -1.230 251 HA3 GLY 36 2HA GLY 36 5.881 -12.089 -1.330 252 H ARG 37 H ARG 37 6.296 -14.190 -1.474 253 HA ARG 37 HA ARG 37 8.464 -15.485 -2.520 254 HB2 ARG 37 1HB ARG 37 7.054 -17.548 -2.449 255 HB3 ARG 37 2HB ARG 37 7.032 -16.573 -0.980 256 HG2 ARG 37 1HG ARG 37 4.823 -15.709 -1.473 257 HG3 ARG 37 2HG ARG 37 4.835 -16.423 -3.089 258 HD2 ARG 37 1HD ARG 37 4.872 -18.694 -2.099 259 HD3 ARG 37 2HD ARG 37 4.897 -17.983 -0.482 260 HE ARG 37 HE ARG 37 2.651 -17.470 -0.629 261 HH11 ARG 37 1HH1 ARG 37 3.685 -18.452 -3.882 262 HH12 ARG 37 2HH1 ARG 37 2.041 -18.561 -4.449 263 HH21 ARG 37 1HH2 ARG 37 0.583 -17.568 -1.460 264 HH22 ARG 37 2HH2 ARG 37 0.323 -18.014 -3.118 265 H ASN 38 H ASN 38 5.658 -14.616 -4.466 266 HA ASN 38 HA ASN 38 6.967 -15.708 -6.894 267 HB2 ASN 38 1HB ASN 38 4.143 -16.425 -6.025 268 HB3 ASN 38 2HB ASN 38 4.822 -16.782 -7.605 269 HD21 ASN 38 2HD2 ASN 38 6.581 -18.389 -7.735 270 HD22 ASN 38 1HD2 ASN 38 6.705 -19.562 -6.433 271 H GLY 39 H GLY 39 5.257 -13.139 -5.513 272 HA2 GLY 39 1HA GLY 39 5.328 -11.340 -7.620 273 HA3 GLY 39 2HA GLY 39 3.801 -12.177 -7.836 274 H TRP 40 H TRP 40 2.834 -10.039 -7.447 275 HA TRP 40 HA TRP 40 2.988 -8.712 -4.924 276 HB2 TRP 40 1HB TRP 40 0.858 -8.673 -7.091 277 HB3 TRP 40 2HB TRP 40 0.957 -7.550 -5.743 278 HD1 TRP 40 HD TRP 40 2.228 -8.080 -9.192 279 HE1 TRP 40 1HE TRP 40 3.918 -6.277 -9.846 280 HE3 TRP 40 3HE TRP 40 3.013 -6.015 -4.581 281 HZ2 TRP 40 2HZ TRP 40 5.331 -4.092 -8.550 282 HZ3 TRP 40 3HZ TRP 40 4.533 -4.083 -4.318 283 HH2 TRP 40 HH TRP 40 5.671 -3.086 -6.283 284 H TRP 41 H TRP 41 2.067 -9.105 -3.050 285 HA TRP 41 HA TRP 41 -0.415 -10.758 -2.835 286 HB2 TRP 41 1HB TRP 41 2.033 -10.796 -1.022 287 HB3 TRP 41 2HB TRP 41 0.523 -11.657 -0.722 288 HD1 TRP 41 HD TRP 41 3.804 -12.322 -1.984 289 HE1 TRP 41 1HE TRP 41 3.918 -14.325 -3.601 290 HE3 TRP 41 3HE TRP 41 -1.191 -12.905 -2.899 291 HZ2 TRP 41 2HZ TRP 41 2.094 -15.803 -5.264 292 HZ3 TRP 41 3HZ TRP 41 -1.978 -14.556 -4.536 293 HH2 TRP 41 HH TRP 41 -0.356 -16.028 -5.740 294 H GLN 42 H GLN 42 -1.931 -10.047 -1.358 295 HA GLN 42 HA GLN 42 -1.828 -7.185 -0.809 296 HB2 GLN 42 1HB GLN 42 -3.823 -8.526 -1.689 297 HB3 GLN 42 2HB GLN 42 -4.014 -9.155 -0.047 298 HG2 GLN 42 1HG GLN 42 -4.215 -6.772 0.765 299 HG3 GLN 42 2HG GLN 42 -4.120 -6.222 -0.907 300 HE21 GLN 42 2HE2 GLN 42 -6.343 -5.809 1.011 301 HE22 GLN 42 1HE2 GLN 42 -7.735 -6.580 0.267 302 H TYR 43 H TYR 43 -1.749 -6.151 1.163 303 HA TYR 43 HA TYR 43 -0.643 -7.505 3.479 304 HB2 TYR 43 1HB TYR 43 -1.627 -4.724 2.847 305 HB3 TYR 43 2HB TYR 43 -1.314 -5.177 4.511 306 HD1 TYR 43 1HD TYR 43 0.916 -5.679 5.344 307 HD2 TYR 43 2HD TYR 43 0.261 -4.510 1.260 308 HE1 TYR 43 1HE TYR 43 3.316 -5.077 5.135 309 HE2 TYR 43 2HE TYR 43 2.650 -3.863 1.045 310 HH TYR 43 HH TYR 43 4.693 -3.811 2.077 311 H ASP 44 H ASP 44 -1.525 -7.538 5.594 312 HA ASP 44 HA ASP 44 -4.283 -8.441 5.823 313 HB2 ASP 44 1HB ASP 44 -2.428 -9.419 7.105 314 HB3 ASP 44 2HB ASP 44 -2.135 -7.870 7.903 315 H GLU 45 H GLU 45 -5.868 -7.491 7.301 316 HA GLU 45 HA GLU 45 -6.299 -4.696 6.702 317 HB2 GLU 45 1HB GLU 45 -8.386 -5.054 8.048 318 HB3 GLU 45 2HB GLU 45 -8.186 -6.131 6.667 319 HG2 GLU 45 1HG GLU 45 -7.591 -7.998 8.077 320 HG3 GLU 45 2HG GLU 45 -7.422 -6.962 9.491 321 H ARG 46 H ARG 46 -4.825 -6.340 9.416 322 HA ARG 46 HA ARG 46 -5.080 -3.952 11.158 323 HB2 ARG 46 1HB ARG 46 -3.572 -6.489 11.785 324 HB3 ARG 46 2HB ARG 46 -4.196 -5.278 12.896 325 HG2 ARG 46 1HG ARG 46 -5.760 -7.398 11.394 326 HG3 ARG 46 2HG ARG 46 -5.618 -7.157 13.131 327 HD2 ARG 46 1HD ARG 46 -6.940 -5.019 12.895 328 HD3 ARG 46 2HD ARG 46 -7.073 -5.345 11.158 329 HE ARG 46 HE ARG 46 -8.726 -6.842 11.490 330 HH11 ARG 46 1HH1 ARG 46 -7.273 -6.381 14.699 331 HH12 ARG 46 2HH1 ARG 46 -8.542 -7.284 15.474 332 HH21 ARG 46 1HH2 ARG 46 -10.248 -7.952 12.503 333 HH22 ARG 46 2HH2 ARG 46 -10.227 -8.185 14.234 334 H THR 47 H THR 47 -2.953 -5.129 8.786 335 HA THR 47 HA THR 47 -0.609 -3.645 9.841 336 HB THR 47 HB THR 47 -0.793 -5.520 7.453 337 HG1 THR 47 1HG THR 47 0.305 -6.899 8.945 338 HG21 THR 47 3HG2 THR 47 1.709 -5.509 7.701 339 HG22 THR 47 1HG2 THR 47 1.071 -3.918 7.242 340 HG23 THR 47 2HG2 THR 47 1.549 -4.220 8.920 341 H SER 48 H SER 48 -2.500 -3.897 6.777 342 HA SER 48 HA SER 48 -1.304 -1.674 5.480 343 HB2 SER 48 1HB SER 48 -3.317 -1.652 4.057 344 HB3 SER 48 2HB SER 48 -2.621 -3.260 4.237 345 HG SER 48 HG SER 48 -4.289 -3.858 5.565 346 H ARG 49 H ARG 49 -3.872 -1.702 7.892 347 HA ARG 49 HA ARG 49 -4.741 0.984 7.589 348 HB2 ARG 49 1HB ARG 49 -5.787 0.716 9.723 349 HB3 ARG 49 2HB ARG 49 -5.910 -0.791 8.825 350 HG2 ARG 49 1HG ARG 49 -5.327 -1.643 10.869 351 HG3 ARG 49 2HG ARG 49 -3.733 -1.467 10.163 352 HD2 ARG 49 1HD ARG 49 -3.591 -0.681 12.400 353 HD3 ARG 49 2HD ARG 49 -3.538 0.756 11.383 354 HE ARG 49 HE ARG 49 -6.239 0.163 12.197 355 HH11 ARG 49 1HH1 ARG 49 -3.222 1.566 13.429 356 HH12 ARG 49 2HH1 ARG 49 -4.067 2.588 14.565 357 HH21 ARG 49 1HH2 ARG 49 -7.256 1.507 13.688 358 HH22 ARG 49 2HH2 ARG 49 -6.313 2.544 14.716 359 H GLU 50 H GLU 50 -1.750 -0.255 8.981 360 HA GLU 50 HA GLU 50 -1.151 2.193 10.500 361 HB2 GLU 50 1HB GLU 50 0.693 -0.048 9.576 362 HB3 GLU 50 2HB GLU 50 1.100 1.209 10.732 363 HG2 GLU 50 1HG GLU 50 -1.138 -0.822 11.191 364 HG3 GLU 50 2HG GLU 50 0.525 -1.059 11.696 365 H LEU 51 H LEU 51 -0.443 0.839 7.311 366 HA LEU 51 HA LEU 51 1.409 2.873 6.418 367 HB2 LEU 51 1HB LEU 51 -0.294 0.987 4.741 368 HB3 LEU 51 2HB LEU 51 1.241 1.726 4.303 369 HG LEU 51 HG LEU 51 0.857 -0.424 6.440 370 HD11 LEU 51 1HD1 LEU 51 0.459 -1.212 4.142 371 HD12 LEU 51 2HD1 LEU 51 2.070 -0.625 3.664 372 HD13 LEU 51 3HD1 LEU 51 1.906 -1.928 4.866 373 HD21 LEU 51 3HD2 LEU 51 3.356 -0.544 6.373 374 HD22 LEU 51 1HD2 LEU 51 3.367 0.915 5.355 375 HD23 LEU 51 2HD2 LEU 51 2.760 0.985 7.023 376 H GLU 52 H GLU 52 -2.047 2.257 5.930 377 HA GLU 52 HA GLU 52 -2.843 4.518 4.444 378 HB2 GLU 52 1HB GLU 52 -4.227 2.517 5.083 379 HB3 GLU 52 2HB GLU 52 -4.280 3.125 6.737 380 HG2 GLU 52 1HG GLU 52 -5.382 5.253 5.724 381 HG3 GLU 52 2HG GLU 52 -5.597 4.284 4.269 382 H ASP 53 H ASP 53 -2.115 4.279 7.966 383 HA ASP 53 HA ASP 53 -3.323 6.861 8.573 384 HB2 ASP 53 1HB ASP 53 -3.170 4.829 10.087 385 HB3 ASP 53 2HB ASP 53 -1.456 5.146 10.261 386 H ALA 54 H ALA 54 -0.102 5.574 8.135 387 HA ALA 54 HA ALA 54 1.446 7.760 9.045 388 HB1 ALA 54 1HB ALA 54 2.342 5.567 8.820 389 HB2 ALA 54 2HB ALA 54 2.001 5.515 7.074 390 HB3 ALA 54 3HB ALA 54 3.259 6.608 7.698 391 H PHE 55 H PHE 55 0.571 7.049 5.600 392 HA PHE 55 HA PHE 55 1.830 9.465 4.652 393 HB2 PHE 55 1HB PHE 55 1.269 8.763 2.588 394 HB3 PHE 55 2HB PHE 55 1.005 7.235 3.409 395 HD1 PHE 55 2HD PHE 55 -1.349 6.528 3.997 396 HD2 PHE 55 1HD PHE 55 -0.508 9.953 1.539 397 HE1 PHE 55 2HE PHE 55 -3.735 6.598 3.289 398 HE2 PHE 55 1HE PHE 55 -2.881 10.000 0.783 399 HZ PHE 55 HZ PHE 55 -4.504 8.341 1.680 400 H SER 56 H SER 56 -1.225 8.818 6.091 401 HA SER 56 HA SER 56 -2.539 11.313 5.313 402 HB2 SER 56 1HB SER 56 -3.596 9.033 5.968 403 HB3 SER 56 2HB SER 56 -3.335 9.546 7.638 404 HG SER 56 HG SER 56 -5.425 10.147 6.831 405 H LYS 57 H LYS 57 -0.553 10.231 8.066 406 HA LYS 57 HA LYS 57 -0.978 12.581 9.743 407 HB2 LYS 57 1HB LYS 57 1.043 10.321 9.632 408 HB3 LYS 57 2HB LYS 57 1.222 11.658 10.769 409 HG2 LYS 57 1HG LYS 57 -0.641 11.066 12.032 410 HG3 LYS 57 2HG LYS 57 -1.400 10.163 10.718 411 HD2 LYS 57 1HD LYS 57 -0.501 8.665 12.488 412 HD3 LYS 57 2HD LYS 57 0.166 8.367 10.892 413 HE2 LYS 57 1HE LYS 57 2.077 8.221 12.137 414 HE3 LYS 57 2HE LYS 57 2.151 9.908 11.655 415 HZ1 LYS 57 3HZ LYS 57 2.550 9.698 14.040 416 HZ2 LYS 57 1HZ LYS 57 1.157 10.516 13.810 417 HZ3 LYS 57 2HZ LYS 57 1.119 8.948 14.272 418 H GLY 58 H GLY 58 1.544 11.577 7.421 419 HA2 GLY 58 1HA GLY 58 2.412 13.423 5.964 420 HA3 GLY 58 2HA GLY 58 2.714 14.349 7.454 421 H LYS 59 H LYS 59 3.460 11.238 8.355 422 HA LYS 59 HA LYS 59 6.299 11.659 8.062 423 HB2 LYS 59 1HB LYS 59 6.455 9.269 8.899 424 HB3 LYS 59 2HB LYS 59 5.707 10.438 9.969 425 HG2 LYS 59 1HG LYS 59 3.520 9.607 9.603 426 HG3 LYS 59 2HG LYS 59 4.034 8.701 8.171 427 HD2 LYS 59 1HD LYS 59 3.615 7.266 10.162 428 HD3 LYS 59 2HD LYS 59 5.210 7.105 9.469 429 HE2 LYS 59 1HE LYS 59 6.148 8.572 11.258 430 HE3 LYS 59 2HE LYS 59 4.542 8.691 11.983 431 HZ1 LYS 59 3HZ LYS 59 5.847 6.958 13.053 432 HZ2 LYS 59 1HZ LYS 59 4.610 6.235 12.261 433 HZ3 LYS 59 2HZ LYS 59 6.115 6.193 11.634 434 H LYS 60 H LYS 60 7.781 10.360 6.976 435 HA LYS 60 HA LYS 60 6.896 9.684 4.216 436 HB2 LYS 60 1HB LYS 60 9.022 10.306 3.496 437 HB3 LYS 60 2HB LYS 60 8.578 11.496 4.704 438 HG2 LYS 60 1HG LYS 60 10.023 10.258 6.358 439 HG3 LYS 60 2HG LYS 60 10.535 9.192 5.029 440 HD2 LYS 60 1HD LYS 60 11.396 11.152 3.783 441 HD3 LYS 60 2HD LYS 60 10.892 12.220 5.112 442 HE2 LYS 60 1HE LYS 60 12.392 10.979 6.668 443 HE3 LYS 60 2HE LYS 60 12.904 9.930 5.338 444 HZ1 LYS 60 3HZ LYS 60 14.480 11.734 5.702 445 HZ2 LYS 60 1HZ LYS 60 13.804 11.898 4.224 446 HZ3 LYS 60 2HZ LYS 60 13.330 12.866 5.454 447 H ASN 61 H ASN 61 7.435 7.986 6.979 448 HA ASN 61 HA ASN 61 7.471 5.458 5.732 449 HB2 ASN 61 1HB ASN 61 9.611 4.547 6.437 450 HB3 ASN 61 2HB ASN 61 9.912 5.915 5.381 451 HD21 ASN 61 2HD2 ASN 61 10.471 7.972 6.413 452 HD22 ASN 61 1HD2 ASN 61 11.319 7.978 7.952 453 H THR 62 H THR 62 7.298 3.743 7.277 454 HA THR 62 HA THR 62 6.876 4.404 10.118 455 HB THR 62 HB THR 62 4.790 5.069 8.833 456 HG1 THR 62 1HG THR 62 3.543 4.048 10.542 457 HG21 THR 62 3HG2 THR 62 3.177 3.291 8.331 458 HG22 THR 62 1HG2 THR 62 4.632 3.054 7.349 459 HG23 THR 62 2HG2 THR 62 4.345 2.036 8.776 460 H GLU 63 H GLU 63 5.809 2.337 11.193 461 HA GLU 63 HA GLU 63 7.597 0.055 10.429 462 HB2 GLU 63 1HB GLU 63 7.095 1.387 13.118 463 HB3 GLU 63 2HB GLU 63 7.835 -0.207 12.946 464 HG2 GLU 63 1HG GLU 63 9.637 0.711 11.584 465 HG3 GLU 63 2HG GLU 63 8.922 2.319 11.635 466 H MET 64 H MET 64 6.916 -1.956 10.759 467 HA MET 64 HA MET 64 4.266 -2.560 11.933 468 HB2 MET 64 1HB MET 64 3.633 -3.767 9.811 469 HB3 MET 64 2HB MET 64 3.606 -2.007 9.717 470 HG2 MET 64 1HG MET 64 5.743 -1.979 8.542 471 HG3 MET 64 2HG MET 64 5.948 -3.713 8.793 472 HE1 MET 64 3HE MET 64 5.713 -3.730 5.033 473 HE2 MET 64 1HE MET 64 6.750 -3.139 6.341 474 HE3 MET 64 2HE MET 64 6.130 -4.814 6.362 475 H LEU 65 H LEU 65 3.908 -4.666 12.434 476 HA LEU 65 HA LEU 65 6.278 -6.442 12.564 477 HB2 LEU 65 1HB LEU 65 4.591 -5.500 14.578 478 HB3 LEU 65 2HB LEU 65 3.853 -7.035 14.205 479 HG LEU 65 HG LEU 65 5.357 -7.232 16.055 480 HD11 LEU 65 1HD1 LEU 65 5.254 -9.192 14.565 481 HD12 LEU 65 2HD1 LEU 65 6.722 -8.616 13.737 482 HD13 LEU 65 3HD1 LEU 65 6.786 -9.063 15.443 483 HD21 LEU 65 3HD2 LEU 65 7.721 -6.726 15.976 484 HD22 LEU 65 1HD2 LEU 65 7.626 -6.330 14.248 485 HD23 LEU 65 2HD2 LEU 65 6.793 -5.305 15.437 486 H ILE 66 H ILE 66 6.183 -8.474 11.904 487 HA ILE 66 HA ILE 66 3.747 -9.462 10.423 488 HB ILE 66 HB ILE 66 5.098 -10.349 8.698 489 HG12 ILE 66 1HG1 ILE 66 7.646 -9.021 9.204 490 HG13 ILE 66 2HG1 ILE 66 7.294 -10.093 10.534 491 HG21 ILE 66 1HG2 ILE 66 4.250 -8.019 8.562 492 HG22 ILE 66 2HG2 ILE 66 5.839 -7.428 9.093 493 HG23 ILE 66 3HG2 ILE 66 5.677 -8.336 7.574 494 HD11 ILE 66 3HD1 ILE 66 8.585 -11.103 8.577 495 HD12 ILE 66 1HD1 ILE 66 7.202 -12.027 9.164 496 HD13 ILE 66 2HD1 ILE 66 7.056 -11.074 7.680 497 H ALA 67 H ALA 67 5.068 -11.980 9.720 498 HA ALA 67 HA ALA 67 4.200 -13.648 11.791 499 HB1 ALA 67 1HB ALA 67 4.502 -14.246 9.383 500 HB2 ALA 67 2HB ALA 67 6.270 -14.154 9.594 501 HB3 ALA 67 3HB ALA 67 5.335 -15.395 10.452 502 H GLY 68 H GLY 68 7.241 -11.970 11.691 503 HA2 GLY 68 1HA GLY 68 7.998 -12.826 14.302 504 HA3 GLY 68 2HA GLY 68 8.919 -13.755 13.136 505 H PHE 69 H PHE 69 8.197 -10.445 12.190 506 HA PHE 69 HA PHE 69 10.882 -9.475 12.956 507 HB2 PHE 69 1HB PHE 69 9.983 -9.864 10.067 508 HB3 PHE 69 2HB PHE 69 11.411 -8.989 10.562 509 HD1 PHE 69 2HD PHE 69 13.296 -10.201 11.755 510 HD2 PHE 69 1HD PHE 69 10.034 -12.291 9.849 511 HE1 PHE 69 2HE PHE 69 14.672 -12.266 11.648 512 HE2 PHE 69 1HE PHE 69 11.412 -14.348 9.753 513 HZ PHE 69 HZ PHE 69 13.734 -14.341 10.646 514 H LEU 70 H LEU 70 11.221 -7.272 12.596 515 HA LEU 70 HA LEU 70 8.795 -5.577 12.264 516 HB2 LEU 70 1HB LEU 70 10.461 -5.355 14.245 517 HB3 LEU 70 2HB LEU 70 11.602 -4.754 13.057 518 HG LEU 70 HG LEU 70 10.704 -2.923 14.248 519 HD11 LEU 70 1HD1 LEU 70 10.934 -2.634 11.711 520 HD12 LEU 70 2HD1 LEU 70 9.153 -2.717 11.667 521 HD13 LEU 70 3HD1 LEU 70 9.957 -1.449 12.589 522 HD21 LEU 70 3HD2 LEU 70 8.299 -2.342 14.305 523 HD22 LEU 70 1HD2 LEU 70 7.912 -3.886 13.516 524 HD23 LEU 70 2HD2 LEU 70 8.662 -3.868 15.129 525 H TYR 71 H TYR 71 8.458 -4.683 10.388 526 HA TYR 71 HA TYR 71 10.699 -4.197 8.465 527 HB2 TYR 71 1HB TYR 71 7.812 -4.848 7.884 528 HB3 TYR 71 2HB TYR 71 8.959 -4.293 6.670 529 HD1 TYR 71 2HD TYR 71 11.412 -5.960 7.533 530 HD2 TYR 71 1HD TYR 71 7.251 -6.961 6.957 531 HE1 TYR 71 2HE TYR 71 12.018 -8.329 7.112 532 HE2 TYR 71 1HE TYR 71 7.860 -9.317 6.624 533 HH TYR 71 HH TYR 71 9.622 -10.870 6.437 534 H VAL 72 H VAL 72 11.062 -2.248 7.830 535 HA VAL 72 HA VAL 72 9.373 0.031 8.691 536 HB VAL 72 HB VAL 72 12.048 0.064 7.243 537 HG11 VAL 72 1HG1 VAL 72 10.734 2.158 6.987 538 HG12 VAL 72 2HG1 VAL 72 10.550 2.252 8.755 539 HG13 VAL 72 3HG1 VAL 72 12.154 2.415 8.013 540 HG21 VAL 72 3HG2 VAL 72 13.063 0.656 9.424 541 HG22 VAL 72 1HG2 VAL 72 11.516 0.310 10.226 542 HG23 VAL 72 2HG2 VAL 72 12.415 -0.986 9.405 543 H ALA 73 H ALA 73 7.901 0.773 7.259 544 HA ALA 73 HA ALA 73 8.056 0.050 4.356 545 HB1 ALA 73 1HB ALA 73 6.043 -0.712 5.558 546 HB2 ALA 73 2HB ALA 73 5.733 0.952 6.106 547 HB3 ALA 73 3HB ALA 73 5.635 0.545 4.375 548 H ASP 74 H ASP 74 8.699 1.590 3.017 549 HA ASP 74 HA ASP 74 8.880 4.413 3.920 550 HB2 ASP 74 1HB ASP 74 10.958 3.210 3.392 551 HB3 ASP 74 2HB ASP 74 10.367 2.865 1.768 552 H LEU 75 H LEU 75 7.494 5.835 3.117 553 HA LEU 75 HA LEU 75 5.647 5.201 0.968 554 HB2 LEU 75 1HB LEU 75 6.078 7.528 2.884 555 HB3 LEU 75 2HB LEU 75 4.892 7.642 1.607 556 HG LEU 75 HG LEU 75 4.762 5.265 3.494 557 HD11 LEU 75 1HD1 LEU 75 4.789 7.210 4.991 558 HD12 LEU 75 2HD1 LEU 75 3.581 8.036 3.979 559 HD13 LEU 75 3HD1 LEU 75 3.145 6.560 4.864 560 HD21 LEU 75 3HD2 LEU 75 2.399 5.415 2.858 561 HD22 LEU 75 1HD2 LEU 75 2.743 6.827 1.837 562 HD23 LEU 75 2HD2 LEU 75 3.460 5.257 1.431 563 H GLU 76 H GLU 76 8.729 6.725 0.985 564 HA GLU 76 HA GLU 76 8.146 8.631 -1.174 565 HB2 GLU 76 1HB GLU 76 10.742 7.814 0.197 566 HB3 GLU 76 2HB GLU 76 10.587 9.085 -1.001 567 HG2 GLU 76 1HG GLU 76 9.178 9.014 1.703 568 HG3 GLU 76 2HG GLU 76 10.645 9.916 1.364 569 H ASN 77 H ASN 77 10.148 5.701 -0.793 570 HA ASN 77 HA ASN 77 10.631 5.491 -3.712 571 HB2 ASN 77 1HB ASN 77 11.637 3.850 -1.349 572 HB3 ASN 77 2HB ASN 77 12.197 3.713 -3.014 573 HD21 ASN 77 2HD2 ASN 77 12.240 5.738 -0.096 574 HD22 ASN 77 1HD2 ASN 77 13.607 6.724 -0.615 575 H MET 78 H MET 78 8.378 4.408 -1.462 576 HA MET 78 HA MET 78 6.865 2.706 -1.231 577 HB2 MET 78 1HB MET 78 7.046 2.534 -4.249 578 HB3 MET 78 2HB MET 78 5.820 1.764 -3.236 579 HG2 MET 78 1HG MET 78 6.052 4.694 -2.802 580 HG3 MET 78 2HG MET 78 5.628 4.230 -4.436 581 HE1 MET 78 3HE MET 78 3.030 3.616 -0.690 582 HE2 MET 78 1HE MET 78 4.640 2.876 -0.788 583 HE3 MET 78 2HE MET 78 4.465 4.650 -0.830 584 H VAL 79 H VAL 79 8.829 1.755 -0.170 585 HA VAL 79 HA VAL 79 9.069 -1.056 -1.076 586 HB VAL 79 HB VAL 79 11.467 -1.214 -0.595 587 HG11 VAL 79 1HG1 VAL 79 10.790 -0.908 -2.926 588 HG12 VAL 79 2HG1 VAL 79 10.948 0.859 -2.751 589 HG13 VAL 79 3HG1 VAL 79 12.368 -0.190 -2.599 590 HG21 VAL 79 3HG2 VAL 79 12.895 0.780 -0.391 591 HG22 VAL 79 1HG2 VAL 79 11.452 1.815 -0.332 592 HG23 VAL 79 2HG2 VAL 79 11.773 0.638 0.960 593 H GLN 80 H GLN 80 10.015 -2.465 0.654 594 HA GLN 80 HA GLN 80 9.732 -1.387 3.408 595 HB2 GLN 80 1HB GLN 80 8.820 -3.566 4.110 596 HB3 GLN 80 2HB GLN 80 7.741 -2.752 2.975 597 HG2 GLN 80 1HG GLN 80 8.366 -4.208 1.162 598 HG3 GLN 80 2HG GLN 80 9.758 -4.842 2.030 599 HE21 GLN 80 2HE2 GLN 80 9.263 -6.068 4.144 600 HE22 GLN 80 1HE2 GLN 80 7.940 -7.202 3.919 601 H TYR 81 H TYR 81 11.189 -2.309 4.952 602 HA TYR 81 HA TYR 81 13.062 -4.426 4.230 603 HB2 TYR 81 1HB TYR 81 15.087 -2.922 4.694 604 HB3 TYR 81 2HB TYR 81 14.321 -2.843 3.142 605 HD1 TYR 81 2HD TYR 81 14.427 -1.032 6.441 606 HD2 TYR 81 1HD TYR 81 13.655 -0.812 2.207 607 HE1 TYR 81 2HE TYR 81 14.355 1.444 6.581 608 HE2 TYR 81 1HE TYR 81 13.658 1.640 2.308 609 HH TYR 81 HH TYR 81 13.823 3.513 3.690 610 H ARG 82 H ARG 82 14.581 -4.982 5.976 611 HA ARG 82 HA ARG 82 13.446 -4.708 8.667 612 HB2 ARG 82 1HB ARG 82 16.039 -5.937 7.633 613 HB3 ARG 82 2HB ARG 82 15.578 -5.892 9.340 614 HG2 ARG 82 1HG ARG 82 13.475 -7.123 8.800 615 HG3 ARG 82 2HG ARG 82 14.032 -7.277 7.116 616 HD2 ARG 82 1HD ARG 82 15.987 -8.568 7.841 617 HD3 ARG 82 2HD ARG 82 15.596 -8.261 9.535 618 HE ARG 82 HE ARG 82 14.065 -9.940 9.541 619 HH11 ARG 82 1HH1 ARG 82 14.736 -9.352 6.103 620 HH12 ARG 82 2HH1 ARG 82 13.944 -10.844 5.637 621 HH21 ARG 82 1HH2 ARG 82 13.179 -11.859 8.843 622 HH22 ARG 82 2HH2 ARG 82 13.306 -12.295 7.153 623 H ARG 83 H ARG 83 14.359 -3.609 10.427 624 HA ARG 83 HA ARG 83 15.279 -0.986 9.996 625 HB2 ARG 83 1HB ARG 83 15.349 -2.783 12.445 626 HB3 ARG 83 2HB ARG 83 15.924 -1.113 12.484 627 HG2 ARG 83 1HG ARG 83 13.737 -0.255 11.825 628 HG3 ARG 83 2HG ARG 83 13.116 -1.900 11.634 629 HD2 ARG 83 1HD ARG 83 12.396 -0.909 13.785 630 HD3 ARG 83 2HD ARG 83 13.348 -2.366 13.996 631 HE ARG 83 HE ARG 83 15.163 -1.137 14.842 632 HH11 ARG 83 1HH1 ARG 83 12.396 1.058 14.330 633 HH12 ARG 83 2HH1 ARG 83 13.227 2.367 15.116 634 HH21 ARG 83 1HH2 ARG 83 16.095 0.583 15.888 635 HH22 ARG 83 2HH2 ARG 83 15.244 2.090 16.027 636 H ASN 84 H ASN 84 17.301 -3.877 10.266 637 HA ASN 84 HA ASN 84 19.656 -2.606 11.184 638 HB2 ASN 84 1HB ASN 84 19.117 -5.082 11.173 639 HB3 ASN 84 2HB ASN 84 19.519 -5.106 9.453 640 HD21 ASN 84 2HD2 ASN 84 21.745 -5.492 8.956 641 HD22 ASN 84 1HD2 ASN 84 23.007 -5.317 10.160 642 H GLU 85 H GLU 85 18.413 -2.863 7.865 643 HA GLU 85 HA GLU 85 20.352 -0.993 6.832 644 HB2 GLU 85 1HB GLU 85 21.484 -2.466 5.251 645 HB3 GLU 85 2HB GLU 85 21.809 -2.937 6.908 646 HG2 GLU 85 1HG GLU 85 19.757 -4.631 6.466 647 HG3 GLU 85 2HG GLU 85 20.238 -4.372 4.788 648 H HIS 86 H HIS 86 19.381 0.154 5.288 649 HA HIS 86 HA HIS 86 16.765 -0.469 4.324 650 HB2 HIS 86 1HB HIS 86 17.058 1.589 3.035 651 HB3 HIS 86 2HB HIS 86 17.587 1.788 4.706 652 HD2 HIS 86 2HD HIS 86 18.952 1.621 1.110 653 HE1 HIS 86 1HE HIS 86 22.199 2.855 3.570 654 HE2 HIS 86 2HE HIS 86 21.434 2.500 1.165 655 H GLY 87 H GLY 87 19.822 -1.420 3.143 656 HA2 GLY 87 1HA GLY 87 19.171 -1.845 0.343 657 HA3 GLY 87 2HA GLY 87 20.563 -2.521 1.224 658 H ARG 88 H ARG 88 18.486 -3.746 3.212 659 HA ARG 88 HA ARG 88 17.972 -6.221 1.696 660 HB2 ARG 88 1HB ARG 88 19.047 -6.216 3.935 661 HB3 ARG 88 2HB ARG 88 17.592 -5.526 4.642 662 HG2 ARG 88 1HG ARG 88 17.829 -7.920 5.067 663 HG3 ARG 88 2HG ARG 88 16.352 -7.592 4.165 664 HD2 ARG 88 1HD ARG 88 17.295 -8.459 2.118 665 HD3 ARG 88 2HD ARG 88 18.928 -8.419 2.786 666 HE ARG 88 HE ARG 88 18.625 -10.447 3.766 667 HH11 ARG 88 1HH1 ARG 88 15.336 -9.368 2.920 668 HH12 ARG 88 2HH1 ARG 88 14.671 -10.929 3.375 669 HH21 ARG 88 1HH2 ARG 88 17.662 -12.432 4.093 670 HH22 ARG 88 2HH2 ARG 88 15.983 -12.654 3.669 671 H ARG 89 H ARG 89 16.515 -4.731 0.346 672 HA ARG 89 HA ARG 89 13.846 -4.363 1.578 673 HB2 ARG 89 1HB ARG 89 13.519 -2.425 0.155 674 HB3 ARG 89 2HB ARG 89 14.954 -2.276 1.155 675 HG2 ARG 89 1HG ARG 89 16.407 -2.778 -0.732 676 HG3 ARG 89 2HG ARG 89 14.983 -2.978 -1.791 677 HD2 ARG 89 1HD ARG 89 14.362 -0.640 -1.411 678 HD3 ARG 89 2HD ARG 89 15.722 -0.441 -0.287 679 HE ARG 89 HE ARG 89 16.623 -1.389 -2.854 680 HH11 ARG 89 1HH1 ARG 89 15.596 1.602 -1.261 681 HH12 ARG 89 2HH1 ARG 89 16.485 2.603 -2.371 682 HH21 ARG 89 1HH2 ARG 89 17.751 -0.039 -4.240 683 HH22 ARG 89 2HH2 ARG 89 17.690 1.684 -4.029 684 H ARG 90 H ARG 90 11.981 -4.385 0.401 685 HA ARG 90 HA ARG 90 11.902 -5.775 -2.237 686 HB2 ARG 90 1HB ARG 90 10.122 -6.453 0.150 687 HB3 ARG 90 2HB ARG 90 9.895 -7.030 -1.504 688 HG2 ARG 90 1HG ARG 90 12.170 -8.120 -1.379 689 HG3 ARG 90 2HG ARG 90 12.234 -7.677 0.340 690 HD2 ARG 90 1HD ARG 90 10.099 -8.955 0.705 691 HD3 ARG 90 2HD ARG 90 10.117 -9.415 -0.996 692 HE ARG 90 HE ARG 90 11.897 -10.885 -0.648 693 HH11 ARG 90 1HH1 ARG 90 11.259 -9.240 2.469 694 HH12 ARG 90 2HH1 ARG 90 12.154 -10.505 3.315 695 HH21 ARG 90 1HH2 ARG 90 13.013 -12.387 0.628 696 HH22 ARG 90 2HH2 ARG 90 13.096 -12.077 2.358 697 H LYS 91 H LYS 91 10.235 -5.089 -3.573 698 HA LYS 91 HA LYS 91 9.259 -2.422 -3.207 699 HB2 LYS 91 1HB LYS 91 9.108 -4.603 -5.253 700 HB3 LYS 91 2HB LYS 91 7.804 -3.451 -5.320 701 HG2 LYS 91 1HG LYS 91 10.743 -2.651 -5.345 702 HG3 LYS 91 2HG LYS 91 9.804 -2.954 -6.808 703 HD2 LYS 91 1HD LYS 91 9.071 -0.864 -4.730 704 HD3 LYS 91 2HD LYS 91 10.006 -0.517 -6.176 705 HE2 LYS 91 1HE LYS 91 8.208 -0.832 -7.620 706 HE3 LYS 91 2HE LYS 91 7.333 -1.876 -6.505 707 HZ1 LYS 91 3HZ LYS 91 6.379 0.383 -6.704 708 HZ2 LYS 91 1HZ LYS 91 6.743 -0.014 -5.165 709 HZ3 LYS 91 2HZ LYS 91 7.724 1.013 -6.006 710 H ILE 92 H ILE 92 7.316 -1.535 -2.810 711 HA ILE 92 HA ILE 92 4.954 -3.294 -2.349 712 HB ILE 92 HB ILE 92 4.122 -2.009 -0.552 713 HG12 ILE 92 1HG1 ILE 92 6.526 -0.237 -0.859 714 HG13 ILE 92 2HG1 ILE 92 4.851 0.203 -1.201 715 HG21 ILE 92 1HG2 ILE 92 5.777 -3.811 -0.026 716 HG22 ILE 92 2HG2 ILE 92 7.038 -2.564 0.094 717 HG23 ILE 92 3HG2 ILE 92 5.659 -2.547 1.206 718 HD11 ILE 92 3HD1 ILE 92 5.456 1.212 0.865 719 HD12 ILE 92 1HD1 ILE 92 4.396 -0.161 1.281 720 HD13 ILE 92 2HD1 ILE 92 6.158 -0.284 1.500 721 H LYS 93 H LYS 93 2.897 -2.075 -2.589 722 HA LYS 93 HA LYS 93 2.936 0.375 -4.163 723 HB2 LYS 93 1HB LYS 93 1.890 -0.438 -6.145 724 HB3 LYS 93 2HB LYS 93 3.328 -1.421 -5.901 725 HG2 LYS 93 1HG LYS 93 1.974 -3.267 -5.031 726 HG3 LYS 93 2HG LYS 93 0.510 -2.276 -5.080 727 HD2 LYS 93 1HD LYS 93 0.619 -2.103 -7.502 728 HD3 LYS 93 2HD LYS 93 2.101 -3.089 -7.535 729 HE2 LYS 93 1HE LYS 93 0.951 -5.023 -6.688 730 HE3 LYS 93 2HE LYS 93 -0.468 -4.074 -6.224 731 HZ1 LYS 93 3HZ LYS 93 -0.774 -5.348 -8.301 732 HZ2 LYS 93 1HZ LYS 93 -1.040 -3.751 -8.481 733 HZ3 LYS 93 2HZ LYS 93 0.358 -4.427 -9.044 734 H ARG 94 H ARG 94 0.682 1.007 -4.796 735 HA ARG 94 HA ARG 94 -1.424 0.021 -2.922 736 HB2 ARG 94 1HB ARG 94 -0.995 2.880 -3.880 737 HB3 ARG 94 2HB ARG 94 -2.369 2.296 -2.928 738 HG2 ARG 94 1HG ARG 94 -0.805 1.638 -1.088 739 HG3 ARG 94 2HG ARG 94 0.556 2.250 -2.036 740 HD2 ARG 94 1HD ARG 94 0.057 3.950 -0.501 741 HD3 ARG 94 2HD ARG 94 -0.551 4.515 -2.063 742 HE ARG 94 HE ARG 94 -2.671 3.176 -0.738 743 HH11 ARG 94 1HH1 ARG 94 -0.765 6.106 -0.230 744 HH12 ARG 94 2HH1 ARG 94 -2.031 6.890 0.668 745 HH21 ARG 94 1HH2 ARG 94 -4.305 4.279 0.345 746 HH22 ARG 94 2HH2 ARG 94 -4.017 5.883 0.947 747 H ASP 95 H ASP 95 -3.350 -0.428 -3.843 748 HA ASP 95 HA ASP 95 -3.804 0.007 -6.751 749 HB2 ASP 95 1HB ASP 95 -2.722 -2.377 -5.795 750 HB3 ASP 95 2HB ASP 95 -4.460 -2.709 -5.783 751 H ILE 96 H ILE 96 -6.022 -1.307 -7.214 752 HA ILE 96 HA ILE 96 -8.074 -0.287 -5.276 753 HB ILE 96 HB ILE 96 -8.084 0.040 -8.288 754 HG12 ILE 96 1HG1 ILE 96 -6.442 1.571 -7.243 755 HG13 ILE 96 2HG1 ILE 96 -7.785 2.413 -7.987 756 HG21 ILE 96 1HG2 ILE 96 -10.368 -0.147 -7.508 757 HG22 ILE 96 2HG2 ILE 96 -10.060 0.906 -6.109 758 HG23 ILE 96 3HG2 ILE 96 -10.092 1.573 -7.749 759 HD11 ILE 96 3HD1 ILE 96 -7.021 3.262 -5.690 760 HD12 ILE 96 1HD1 ILE 96 -8.762 2.976 -5.905 761 HD13 ILE 96 2HD1 ILE 96 -7.784 1.794 -5.023 762 H ILE 97 H ILE 97 -9.760 -1.507 -4.993 763 HA ILE 97 HA ILE 97 -9.944 -4.194 -6.273 764 HB ILE 97 HB ILE 97 -11.561 -2.998 -4.017 765 HG12 ILE 97 1HG1 ILE 97 -10.254 -4.978 -2.803 766 HG13 ILE 97 2HG1 ILE 97 -9.048 -4.672 -4.050 767 HG21 ILE 97 1HG2 ILE 97 -12.890 -4.608 -5.135 768 HG22 ILE 97 2HG2 ILE 97 -11.557 -5.793 -5.171 769 HG23 ILE 97 3HG2 ILE 97 -12.326 -5.326 -3.632 770 HD11 ILE 97 3HD1 ILE 97 -8.921 -3.443 -1.755 771 HD12 ILE 97 1HD1 ILE 97 -8.626 -2.479 -3.221 772 HD13 ILE 97 2HD1 ILE 97 -10.192 -2.399 -2.364 773 H ASP 98 H ASP 98 -11.611 -4.865 -7.545 774 HA ASP 98 HA ASP 98 -13.306 -2.773 -8.743 775 HB2 ASP 98 1HB ASP 98 -11.840 -4.201 -10.148 776 HB3 ASP 98 2HB ASP 98 -12.721 -5.628 -9.609 777 H ILE 99 H ILE 99 -13.678 -5.571 -6.776 778 HA ILE 99 HA ILE 99 -15.328 -6.407 -5.510 779 HB ILE 99 HB ILE 99 -17.186 -4.284 -6.581 780 HG12 ILE 99 1HG1 ILE 99 -15.213 -3.317 -5.385 781 HG13 ILE 99 2HG1 ILE 99 -16.755 -2.989 -4.621 782 HG21 ILE 99 1HG2 ILE 99 -18.504 -6.077 -5.683 783 HG22 ILE 99 2HG2 ILE 99 -17.533 -6.122 -4.199 784 HG23 ILE 99 3HG2 ILE 99 -18.541 -4.712 -4.571 785 HD11 ILE 99 3HD1 ILE 99 -14.958 -3.531 -2.998 786 HD12 ILE 99 1HD1 ILE 99 -16.323 -4.645 -2.877 787 HD13 ILE 99 2HD1 ILE 99 -14.826 -5.158 -3.687 788 HA PRO 100 HA PRO 100 -16.963 -9.232 -8.585 789 HB2 PRO 100 1HB PRO 100 -17.677 -11.315 -6.999 790 HB3 PRO 100 2HB PRO 100 -15.969 -10.836 -7.213 791 HG2 PRO 100 1HG PRO 100 -17.854 -10.058 -4.952 792 HG3 PRO 100 2HG PRO 100 -16.203 -10.747 -4.818 793 HD2 PRO 100 1HD PRO 100 -16.689 -8.051 -4.691 794 HD3 PRO 100 2HD PRO 100 -15.205 -8.708 -5.438 795 H LYS 101 H LYS 101 -18.980 -10.445 -9.055 796 HA LYS 101 HA LYS 101 -21.341 -8.862 -8.758 797 HB2 LYS 101 1HB LYS 101 -22.457 -10.648 -9.959 798 HB3 LYS 101 2HB LYS 101 -20.887 -10.306 -10.684 799 HG2 LYS 101 1HG LYS 101 -19.929 -12.314 -9.535 800 HG3 LYS 101 2HG LYS 101 -21.520 -12.655 -8.829 801 HD2 LYS 101 1HD LYS 101 -22.481 -12.896 -11.102 802 HD3 LYS 101 2HD LYS 101 -20.888 -12.549 -11.811 803 HE2 LYS 101 1HE LYS 101 -19.941 -14.534 -10.643 804 HE3 LYS 101 2HE LYS 101 -21.527 -14.880 -9.941 805 HZ1 LYS 101 3HZ LYS 101 -21.127 -16.212 -11.924 806 HZ2 LYS 101 1HZ LYS 101 -22.381 -15.203 -12.197 807 HZ3 LYS 101 2HZ LYS 101 -20.913 -14.881 -12.847 808 H LYS 102 H LYS 102 -20.025 -11.135 -6.571 809 HA LYS 102 HA LYS 102 -22.469 -11.791 -5.115 810 HB2 LYS 102 1HB LYS 102 -20.406 -13.200 -5.251 811 HB3 LYS 102 2HB LYS 102 -19.534 -11.988 -4.305 812 HG2 LYS 102 1HG LYS 102 -21.036 -12.382 -2.381 813 HG3 LYS 102 2HG LYS 102 -22.006 -13.510 -3.353 814 HD2 LYS 102 1HD LYS 102 -20.034 -14.997 -3.588 815 HD3 LYS 102 2HD LYS 102 -19.058 -13.857 -2.632 816 HE2 LYS 102 1HE LYS 102 -20.609 -14.153 -0.708 817 HE3 LYS 102 2HE LYS 102 -21.577 -15.288 -1.657 818 HZ1 LYS 102 3HZ LYS 102 -20.019 -16.448 -0.212 819 HZ2 LYS 102 1HZ LYS 102 -19.633 -16.748 -1.769 820 HZ3 LYS 102 2HZ LYS 102 -18.737 -15.697 -0.890 821 H GLY 103 H GLY 103 -20.430 -8.995 -5.183 822 HA2 GLY 103 1HA GLY 103 -20.644 -8.115 -2.457 823 HA3 GLY 103 2HA GLY 103 -20.082 -7.170 -3.849 824 H VAL 104 H VAL 104 -23.288 -8.591 -3.207 825 HA VAL 104 HA VAL 104 -24.628 -6.090 -3.956 826 HB VAL 104 HB VAL 104 -25.455 -8.324 -4.657 827 HG11 VAL 104 1HG1 VAL 104 -25.127 -9.595 -2.545 828 HG12 VAL 104 2HG1 VAL 104 -26.441 -8.665 -1.792 829 HG13 VAL 104 3HG1 VAL 104 -26.776 -9.726 -3.171 830 HG21 VAL 104 3HG2 VAL 104 -27.817 -7.810 -4.431 831 HG22 VAL 104 1HG2 VAL 104 -27.494 -6.707 -3.080 832 HG23 VAL 104 2HG2 VAL 104 -26.900 -6.320 -4.710 833 H SER 105 H SER 105 -25.828 -4.728 -2.628 834 HA SER 105 HA SER 105 -24.914 -4.342 0.020 835 HB2 SER 105 1HB SER 105 -27.408 -3.184 -1.274 836 HB3 SER 105 2HB SER 105 -26.494 -2.502 0.082 837 HG SER 105 HG SER 105 -25.949 -1.493 -1.921 838 H GLY 106 H GLY 106 -27.427 -6.473 -0.976 839 HA2 GLY 106 1HA GLY 106 -27.868 -7.593 1.545 840 HA3 GLY 106 2HA GLY 106 -29.139 -6.403 1.351 841 HA PRO 107 HA PRO 107 -30.245 -10.474 -0.835 842 HB2 PRO 107 1HB PRO 107 -32.071 -11.540 0.891 843 HB3 PRO 107 2HB PRO 107 -30.306 -11.773 1.089 844 HG2 PRO 107 1HG PRO 107 -32.076 -9.725 2.464 845 HG3 PRO 107 2HG PRO 107 -30.880 -10.830 3.213 846 HD2 PRO 107 1HD PRO 107 -30.272 -8.242 2.590 847 HD3 PRO 107 2HD PRO 107 -29.064 -9.551 2.424 848 H SER 108 H SER 108 -32.130 -10.781 -2.076 849 HA SER 108 HA SER 108 -34.596 -9.323 -1.674 850 HB2 SER 108 1HB SER 108 -33.121 -7.490 -2.506 851 HB3 SER 108 2HB SER 108 -32.796 -8.442 -3.964 852 HG SER 108 HG SER 108 -34.516 -6.866 -4.201 853 H SER 109 H SER 109 -36.218 -9.904 -3.240 854 HA SER 109 HA SER 109 -35.834 -12.549 -4.469 855 HB2 SER 109 1HB SER 109 -38.272 -10.735 -4.467 856 HB3 SER 109 2HB SER 109 -38.232 -12.458 -4.864 857 HG SER 109 HG SER 109 -37.683 -12.904 -2.686 858 H GLY 110 H GLY 110 -35.283 -9.406 -5.597 859 HA2 GLY 110 1HA GLY 110 -34.698 -10.151 -8.277 860 HA3 GLY 110 2HA GLY 110 -36.310 -9.437 -8.265 861 H5'1 ATP 201 H5" ATP 111 11.124 -14.634 6.136 862 H5'2 ATP 201 H5' ATP 111 10.799 -13.248 7.179 863 H4' ATP 201 H4' ATP 111 8.757 -14.473 6.672 864 H3' ATP 201 H3' ATP 111 9.785 -14.834 4.073 865 HO3' ATP 201 H3T ATP 111 7.480 -15.552 3.752 866 H2' ATP 201 H2' ATP 111 9.243 -12.627 3.426 867 HO2' ATP 201 2HO ATP 111 8.076 -13.982 1.948 868 H1' ATP 201 H1' ATP 111 6.694 -12.995 5.054 869 H8 ATP 201 8H ATP 111 9.055 -10.402 3.401 870 HN61 ATP 201 2H6 ATP 111 5.627 -6.778 3.179 871 HN62 ATP 201 1H6 ATP 111 4.074 -6.663 4.006 872 H2 ATP 201 2H ATP 111 3.364 -10.137 6.385 Start of MODEL 17 1 HA PRO 1 HA PRO 1 22.338 8.420 12.298 2 HB2 PRO 1 1HB PRO 1 24.710 10.183 11.714 3 HB3 PRO 1 2HB PRO 1 23.226 10.535 12.648 4 HG2 PRO 1 1HG PRO 1 25.784 9.530 13.617 5 HG3 PRO 1 2HG PRO 1 24.312 9.819 14.591 6 HD2 PRO 1 1HD PRO 1 25.338 7.294 14.170 7 HD3 PRO 1 2HD PRO 1 23.607 7.630 14.412 8 H SER 2 H SER 2 21.676 9.838 10.420 9 HA SER 2 HA SER 2 22.942 9.552 7.840 10 HB2 SER 2 1HB SER 2 21.873 7.281 8.137 11 HB3 SER 2 2HB SER 2 20.299 8.091 8.194 12 HG SER 2 HG SER 2 20.931 7.309 6.070 13 H SER 3 H SER 3 21.407 10.429 6.106 14 HA SER 3 HA SER 3 19.512 12.521 7.014 15 HB2 SER 3 1HB SER 3 20.835 14.318 5.966 16 HB3 SER 3 2HB SER 3 21.682 13.569 7.322 17 HG SER 3 HG SER 3 23.062 13.878 5.492 18 H GLY 4 H GLY 4 19.828 10.073 4.996 19 HA2 GLY 4 1HA GLY 4 19.423 11.216 2.369 20 HA3 GLY 4 2HA GLY 4 19.225 9.516 2.826 21 H SER 5 H SER 5 17.640 11.324 1.105 22 HA SER 5 HA SER 5 14.986 10.440 1.724 23 HB2 SER 5 1HB SER 5 13.918 12.629 2.017 24 HB3 SER 5 2HB SER 5 15.008 12.278 3.354 25 HG SER 5 HG SER 5 16.553 13.671 2.390 26 H SER 6 H SER 6 13.390 11.362 0.022 27 HA SER 6 HA SER 6 14.724 11.396 -2.598 28 HB2 SER 6 1HB SER 6 11.810 11.662 -1.795 29 HB3 SER 6 2HB SER 6 12.390 11.576 -3.464 30 HG SER 6 HG SER 6 13.175 9.494 -3.081 31 H GLY 7 H GLY 7 13.866 13.874 -0.395 32 HA2 GLY 7 1HA GLY 7 14.437 16.100 -0.442 33 HA3 GLY 7 2HA GLY 7 15.053 15.864 -2.093 34 H PHE 8 H PHE 8 12.948 15.284 -3.573 35 HA PHE 8 HA PHE 8 11.641 17.925 -3.733 36 HB2 PHE 8 1HB PHE 8 11.953 15.678 -5.759 37 HB3 PHE 8 2HB PHE 8 11.288 17.267 -6.097 38 HD1 PHE 8 1HD PHE 8 12.762 19.338 -5.800 39 HD2 PHE 8 2HD PHE 8 14.335 15.321 -5.813 40 HE1 PHE 8 1HE PHE 8 15.032 20.225 -6.276 41 HE2 PHE 8 2HE PHE 8 16.601 16.213 -6.289 42 HZ PHE 8 HZ PHE 8 16.955 18.665 -6.521 43 H LEU 9 H LEU 9 9.506 18.167 -4.587 44 HA LEU 9 HA LEU 9 7.451 16.627 -3.257 45 HB2 LEU 9 1HB LEU 9 7.406 19.093 -3.688 46 HB3 LEU 9 2HB LEU 9 7.338 18.777 -5.420 47 HG LEU 9 HG LEU 9 5.102 17.739 -5.155 48 HD11 LEU 9 1HD1 LEU 9 5.246 16.882 -2.837 49 HD12 LEU 9 2HD1 LEU 9 5.375 18.544 -2.219 50 HD13 LEU 9 3HD1 LEU 9 3.879 17.988 -3.000 51 HD21 LEU 9 3HD2 LEU 9 3.887 19.815 -4.653 52 HD22 LEU 9 1HD2 LEU 9 5.341 20.504 -3.900 53 HD23 LEU 9 2HD2 LEU 9 5.320 20.144 -5.641 54 H ASP 10 H ASP 10 5.709 15.488 -4.297 55 HA ASP 10 HA ASP 10 6.475 13.582 -6.293 56 HB2 ASP 10 1HB ASP 10 4.759 13.335 -4.422 57 HB3 ASP 10 2HB ASP 10 3.670 14.300 -5.434 58 H LYS 11 H LYS 11 5.177 13.095 -8.144 59 HA LYS 11 HA LYS 11 5.706 15.158 -10.083 60 HB2 LYS 11 1HB LYS 11 4.981 12.225 -10.072 61 HB3 LYS 11 2HB LYS 11 4.911 13.100 -11.597 62 HG2 LYS 11 1HG LYS 11 7.412 13.816 -10.361 63 HG3 LYS 11 2HG LYS 11 7.222 12.071 -10.160 64 HD2 LYS 11 1HD LYS 11 6.811 11.860 -12.617 65 HD3 LYS 11 2HD LYS 11 7.033 13.620 -12.783 66 HE2 LYS 11 1HE LYS 11 9.339 13.411 -11.876 67 HE3 LYS 11 2HE LYS 11 9.118 11.665 -11.695 68 HZ1 LYS 11 3HZ LYS 11 10.289 12.197 -13.746 69 HZ2 LYS 11 1HZ LYS 11 8.852 11.515 -14.110 70 HZ3 LYS 11 2HZ LYS 11 9.059 13.128 -14.279 71 HA PRO 12 HA PRO 12 1.709 16.709 -11.039 72 HB2 PRO 12 1HB PRO 12 1.995 17.555 -13.614 73 HB3 PRO 12 2HB PRO 12 2.947 18.234 -12.275 74 HG2 PRO 12 1HG PRO 12 3.752 16.049 -14.231 75 HG3 PRO 12 2HG PRO 12 4.678 17.519 -13.783 76 HD2 PRO 12 1HD PRO 12 5.094 15.063 -12.611 77 HD3 PRO 12 2HD PRO 12 5.332 16.588 -11.730 78 H THR 13 H THR 13 0.078 16.717 -13.009 79 HA THR 13 HA THR 13 -0.335 14.161 -14.335 80 HB THR 13 HB THR 13 -1.225 13.750 -12.043 81 HG1 THR 13 1HG THR 13 -2.936 12.743 -12.858 82 HG21 THR 13 3HG2 THR 13 -3.171 14.875 -11.229 83 HG22 THR 13 1HG2 THR 13 -2.005 16.133 -11.626 84 HG23 THR 13 2HG2 THR 13 -3.361 15.811 -12.731 85 H LEU 14 H LEU 14 -2.273 14.134 -15.603 86 HA LEU 14 HA LEU 14 -2.628 16.744 -17.018 87 HB2 LEU 14 1HB LEU 14 -3.090 13.910 -18.025 88 HB3 LEU 14 2HB LEU 14 -3.104 15.383 -18.974 89 HG LEU 14 HG LEU 14 -0.535 15.284 -17.631 90 HD11 LEU 14 1HD1 LEU 14 -0.940 12.873 -17.315 91 HD12 LEU 14 2HD1 LEU 14 -1.214 12.683 -19.062 92 HD13 LEU 14 3HD1 LEU 14 0.383 13.175 -18.456 93 HD21 LEU 14 3HD2 LEU 14 0.343 15.217 -19.918 94 HD22 LEU 14 1HD2 LEU 14 -1.261 14.781 -20.550 95 HD23 LEU 14 2HD2 LEU 14 -0.995 16.373 -19.798 96 H LEU 15 H LEU 15 -4.226 14.830 -14.815 97 HA LEU 15 HA LEU 15 -6.941 15.099 -15.944 98 HB2 LEU 15 1HB LEU 15 -6.161 13.949 -13.244 99 HB3 LEU 15 2HB LEU 15 -7.660 13.726 -14.126 100 HG LEU 15 HG LEU 15 -4.943 12.574 -14.862 101 HD11 LEU 15 1HD1 LEU 15 -6.121 11.490 -12.964 102 HD12 LEU 15 2HD1 LEU 15 -7.540 11.235 -14.001 103 HD13 LEU 15 3HD1 LEU 15 -6.005 10.422 -14.374 104 HD21 LEU 15 3HD2 LEU 15 -6.144 11.347 -16.669 105 HD22 LEU 15 1HD2 LEU 15 -7.595 12.324 -16.350 106 HD23 LEU 15 2HD2 LEU 15 -6.103 13.089 -16.954 107 H SER 16 H SER 16 -8.589 15.501 -14.075 108 HA SER 16 HA SER 16 -8.264 18.276 -13.103 109 HB2 SER 16 1HB SER 16 -10.544 16.383 -13.655 110 HB3 SER 16 2HB SER 16 -10.783 17.739 -12.617 111 HG SER 16 HG SER 16 -11.270 18.226 -14.846 112 HA PRO 17 HA PRO 17 -7.836 17.105 -8.849 113 HB2 PRO 17 1HB PRO 17 -9.384 18.946 -7.526 114 HB3 PRO 17 2HB PRO 17 -7.830 19.343 -8.321 115 HG2 PRO 17 1HG PRO 17 -10.633 19.686 -9.438 116 HG3 PRO 17 2HG PRO 17 -9.290 20.877 -9.427 117 HD2 PRO 17 1HD PRO 17 -9.808 19.352 -11.615 118 HD3 PRO 17 2HD PRO 17 -8.128 19.746 -11.130 119 H GLU 18 H GLU 18 -11.045 17.192 -10.273 120 HA GLU 18 HA GLU 18 -12.377 15.717 -8.151 121 HB2 GLU 18 1HB GLU 18 -13.181 16.099 -11.061 122 HB3 GLU 18 2HB GLU 18 -14.227 15.574 -9.747 123 HG2 GLU 18 1HG GLU 18 -12.931 18.323 -10.043 124 HG3 GLU 18 2HG GLU 18 -14.612 17.924 -10.345 125 H GLU 19 H GLU 19 -10.570 14.811 -11.065 126 HA GLU 19 HA GLU 19 -11.701 12.165 -11.433 127 HB2 GLU 19 1HB GLU 19 -9.260 13.657 -12.432 128 HB3 GLU 19 2HB GLU 19 -9.448 11.965 -12.782 129 HG2 GLU 19 1HG GLU 19 -11.418 14.171 -13.527 130 HG3 GLU 19 2HG GLU 19 -10.211 13.461 -14.597 131 H LEU 20 H LEU 20 -8.666 13.375 -10.129 132 HA LEU 20 HA LEU 20 -7.419 10.908 -9.431 133 HB2 LEU 20 1HB LEU 20 -7.096 13.646 -8.141 134 HB3 LEU 20 2HB LEU 20 -5.911 12.360 -8.096 135 HG LEU 20 HG LEU 20 -6.738 13.288 -10.851 136 HD11 LEU 20 1HD1 LEU 20 -6.641 15.341 -9.464 137 HD12 LEU 20 2HD1 LEU 20 -4.934 14.992 -9.118 138 HD13 LEU 20 3HD1 LEU 20 -5.476 15.294 -10.799 139 HD21 LEU 20 3HD2 LEU 20 -4.424 12.911 -11.368 140 HD22 LEU 20 1HD2 LEU 20 -4.008 12.701 -9.654 141 HD23 LEU 20 2HD2 LEU 20 -5.036 11.507 -10.481 142 H LYS 21 H LYS 21 -9.370 13.182 -7.531 143 HA LYS 21 HA LYS 21 -9.546 11.570 -5.126 144 HB2 LYS 21 1HB LYS 21 -11.066 13.910 -6.284 145 HB3 LYS 21 2HB LYS 21 -11.784 13.009 -4.958 146 HG2 LYS 21 1HG LYS 21 -10.529 14.994 -4.211 147 HG3 LYS 21 2HG LYS 21 -10.002 13.484 -3.466 148 HD2 LYS 21 1HD LYS 21 -7.970 13.435 -4.798 149 HD3 LYS 21 2HD LYS 21 -8.556 14.739 -5.825 150 HE2 LYS 21 1HE LYS 21 -6.927 15.666 -4.336 151 HE3 LYS 21 2HE LYS 21 -8.512 16.303 -3.896 152 HZ1 LYS 21 3HZ LYS 21 -7.233 15.618 -1.949 153 HZ2 LYS 21 1HZ LYS 21 -8.573 14.697 -2.066 154 HZ3 LYS 21 2HZ LYS 21 -7.116 14.084 -2.494 155 H ALA 22 H ALA 22 -11.735 11.739 -8.010 156 HA ALA 22 HA ALA 22 -13.653 9.912 -6.962 157 HB1 ALA 22 1HB ALA 22 -14.154 11.432 -8.802 158 HB2 ALA 22 2HB ALA 22 -12.984 10.595 -9.853 159 HB3 ALA 22 3HB ALA 22 -14.449 9.760 -9.300 160 H ALA 23 H ALA 23 -10.622 9.195 -8.691 161 HA ALA 23 HA ALA 23 -10.985 6.447 -9.188 162 HB1 ALA 23 1HB ALA 23 -9.010 7.832 -9.874 163 HB2 ALA 23 2HB ALA 23 -8.473 7.844 -8.169 164 HB3 ALA 23 3HB ALA 23 -8.540 6.319 -9.060 165 H SER 24 H SER 24 -10.469 8.035 -6.086 166 HA SER 24 HA SER 24 -10.234 5.409 -4.696 167 HB2 SER 24 1HB SER 24 -8.559 7.111 -4.152 168 HB3 SER 24 2HB SER 24 -9.837 8.247 -3.684 169 HG SER 24 HG SER 24 -8.952 7.150 -1.863 170 H ARG 25 H ARG 25 -12.066 8.493 -4.428 171 HA ARG 25 HA ARG 25 -13.908 7.627 -2.478 172 HB2 ARG 25 1HB ARG 25 -13.895 9.925 -4.468 173 HB3 ARG 25 2HB ARG 25 -15.060 9.753 -3.184 174 HG2 ARG 25 1HG ARG 25 -12.057 10.136 -2.881 175 HG3 ARG 25 2HG ARG 25 -13.319 11.313 -2.549 176 HD2 ARG 25 1HD ARG 25 -12.792 8.749 -1.005 177 HD3 ARG 25 2HD ARG 25 -12.430 10.401 -0.499 178 HE ARG 25 HE ARG 25 -15.102 10.568 -0.940 179 HH11 ARG 25 1HH1 ARG 25 -13.234 8.323 1.060 180 HH12 ARG 25 2HH1 ARG 25 -14.569 8.031 2.133 181 HH21 ARG 25 1HH2 ARG 25 -16.779 10.142 0.477 182 HH22 ARG 25 2HH2 ARG 25 -16.543 9.058 1.814 183 H GLY 26 H GLY 26 -13.993 7.032 -5.892 184 HA2 GLY 26 1HA GLY 26 -16.825 6.647 -6.246 185 HA3 GLY 26 2HA GLY 26 -15.519 5.954 -7.238 186 H ASN 27 H ASN 27 -14.438 4.715 -4.605 187 HA ASN 27 HA ASN 27 -16.533 2.622 -4.126 188 HB2 ASN 27 1HB ASN 27 -13.522 2.215 -4.248 189 HB3 ASN 27 2HB ASN 27 -14.718 1.001 -3.789 190 HD21 ASN 27 2HD2 ASN 27 -16.463 0.512 -5.511 191 HD22 ASN 27 1HD2 ASN 27 -15.841 0.411 -7.150 192 H GLY 28 H GLY 28 -13.606 4.194 -2.713 193 HA2 GLY 28 1HA GLY 28 -13.446 5.220 -0.613 194 HA3 GLY 28 2HA GLY 28 -14.977 4.469 -0.095 195 H GLU 29 H GLU 29 -13.080 2.122 -1.486 196 HA GLU 29 HA GLU 29 -12.114 1.017 1.087 197 HB2 GLU 29 1HB GLU 29 -13.177 -0.080 -1.364 198 HB3 GLU 29 2HB GLU 29 -11.530 -0.597 -1.226 199 HG2 GLU 29 1HG GLU 29 -13.045 -2.219 -0.145 200 HG3 GLU 29 2HG GLU 29 -11.960 -1.500 1.041 201 H TYR 30 H TYR 30 -9.984 -0.355 0.629 202 HA TYR 30 HA TYR 30 -7.944 0.723 -1.050 203 HB2 TYR 30 1HB TYR 30 -6.518 1.771 0.561 204 HB3 TYR 30 2HB TYR 30 -8.056 2.598 0.594 205 HD1 TYR 30 1HD TYR 30 -9.785 1.777 2.409 206 HD2 TYR 30 2HD TYR 30 -5.583 0.847 2.518 207 HE1 TYR 30 1HE TYR 30 -9.955 1.313 4.862 208 HE2 TYR 30 2HE TYR 30 -5.750 0.321 4.949 209 HH TYR 30 HH TYR 30 -8.835 0.654 6.761 210 H ALA 31 H ALA 31 -6.024 -0.392 -0.946 211 HA ALA 31 HA ALA 31 -5.504 -2.443 1.094 212 HB1 ALA 31 1HB ALA 31 -6.840 -3.778 -0.359 213 HB2 ALA 31 2HB ALA 31 -6.163 -3.050 -1.823 214 HB3 ALA 31 3HB ALA 31 -5.180 -4.151 -0.817 215 H TRP 32 H TRP 32 -3.370 -3.175 1.064 216 HA TRP 32 HA TRP 32 -1.439 -1.686 -0.660 217 HB2 TRP 32 1HB TRP 32 -1.239 -2.394 2.286 218 HB3 TRP 32 2HB TRP 32 0.156 -2.018 1.291 219 HD1 TRP 32 HD TRP 32 -3.178 -0.227 2.156 220 HE1 TRP 32 1HE TRP 32 -2.741 2.291 2.309 221 HE3 TRP 32 3HE TRP 32 1.819 -0.202 0.989 222 HZ2 TRP 32 2HZ TRP 32 -0.431 4.042 2.303 223 HZ3 TRP 32 3HZ TRP 32 3.097 1.919 1.066 224 HH2 TRP 32 HH TRP 32 1.990 4.040 1.735 225 H TYR 33 H TYR 33 0.273 -2.854 -1.447 226 HA TYR 33 HA TYR 33 0.308 -5.808 -1.036 227 HB2 TYR 33 1HB TYR 33 0.197 -4.326 -3.685 228 HB3 TYR 33 2HB TYR 33 0.635 -6.011 -3.534 229 HD1 TYR 33 1HD TYR 33 -2.199 -3.613 -2.924 230 HD2 TYR 33 2HD TYR 33 -0.987 -7.691 -3.662 231 HE1 TYR 33 1HE TYR 33 -4.587 -4.275 -3.190 232 HE2 TYR 33 2HE TYR 33 -3.366 -8.348 -3.929 233 HH TYR 33 HH TYR 33 -5.562 -7.648 -3.907 234 H TYR 34 H TYR 34 2.284 -6.842 -1.647 235 HA TYR 34 HA TYR 34 4.646 -5.106 -2.196 236 HB2 TYR 34 1HB TYR 34 5.962 -6.248 -0.549 237 HB3 TYR 34 2HB TYR 34 4.556 -5.547 0.221 238 HD1 TYR 34 1HD TYR 34 2.654 -7.028 0.985 239 HD2 TYR 34 2HD TYR 34 6.359 -8.635 -0.528 240 HE1 TYR 34 1HE TYR 34 2.112 -9.222 2.009 241 HE2 TYR 34 2HE TYR 34 5.824 -10.835 0.501 242 HH TYR 34 HH TYR 34 2.805 -11.391 2.362 243 H GLU 35 H GLU 35 6.344 -6.135 -3.386 244 HA GLU 35 HA GLU 35 5.487 -8.372 -5.062 245 HB2 GLU 35 1HB GLU 35 8.138 -6.883 -4.920 246 HB3 GLU 35 2HB GLU 35 7.772 -8.207 -6.038 247 HG2 GLU 35 1HG GLU 35 5.742 -6.834 -6.783 248 HG3 GLU 35 2HG GLU 35 6.496 -5.473 -5.932 249 H GLY 36 H GLY 36 5.169 -10.142 -3.776 250 HA2 GLY 36 1HA GLY 36 7.347 -11.320 -2.157 251 HA3 GLY 36 2HA GLY 36 5.729 -11.988 -2.435 252 H ARG 37 H ARG 37 7.413 -13.844 -2.534 253 HA ARG 37 HA ARG 37 9.208 -14.178 -4.645 254 HB2 ARG 37 1HB ARG 37 7.692 -16.320 -3.097 255 HB3 ARG 37 2HB ARG 37 9.141 -16.592 -4.077 256 HG2 ARG 37 1HG ARG 37 10.414 -15.019 -2.615 257 HG3 ARG 37 2HG ARG 37 8.978 -14.827 -1.591 258 HD2 ARG 37 1HD ARG 37 8.990 -17.258 -1.109 259 HD3 ARG 37 2HD ARG 37 10.422 -17.445 -2.140 260 HE ARG 37 HE ARG 37 10.634 -15.498 0.095 261 HH11 ARG 37 1HH1 ARG 37 11.494 -18.822 -0.922 262 HH12 ARG 37 2HH1 ARG 37 12.763 -18.872 0.276 263 HH21 ARG 37 1HH2 ARG 37 12.189 -15.672 1.450 264 HH22 ARG 37 2HH2 ARG 37 13.231 -17.094 1.560 265 H ASN 38 H ASN 38 5.774 -14.968 -4.647 266 HA ASN 38 HA ASN 38 5.944 -16.051 -7.426 267 HB2 ASN 38 1HB ASN 38 3.868 -16.402 -5.244 268 HB3 ASN 38 2HB ASN 38 3.716 -17.059 -6.872 269 HD21 ASN 38 2HD2 ASN 38 4.078 -18.316 -4.046 270 HD22 ASN 38 1HD2 ASN 38 5.372 -19.469 -4.316 271 H GLY 39 H GLY 39 5.026 -13.148 -5.936 272 HA2 GLY 39 1HA GLY 39 4.413 -11.595 -8.027 273 HA3 GLY 39 2HA GLY 39 2.872 -12.418 -7.822 274 H TRP 40 H TRP 40 2.318 -9.997 -7.510 275 HA TRP 40 HA TRP 40 2.847 -8.701 -5.022 276 HB2 TRP 40 1HB TRP 40 0.474 -8.503 -6.904 277 HB3 TRP 40 2HB TRP 40 0.783 -7.421 -5.557 278 HD1 TRP 40 HD TRP 40 1.750 -8.064 -9.116 279 HE1 TRP 40 1HE TRP 40 3.310 -6.237 -9.974 280 HE3 TRP 40 3HE TRP 40 2.794 -5.747 -4.670 281 HZ2 TRP 40 2HZ TRP 40 4.670 -3.907 -8.901 282 HZ3 TRP 40 3HZ TRP 40 4.237 -3.726 -4.622 283 HH2 TRP 40 HH TRP 40 5.142 -2.777 -6.724 284 H TRP 41 H TRP 41 2.161 -9.155 -3.015 285 HA TRP 41 HA TRP 41 -0.411 -10.632 -2.633 286 HB2 TRP 41 1HB TRP 41 2.114 -10.930 -0.972 287 HB3 TRP 41 2HB TRP 41 0.560 -11.719 -0.671 288 HD1 TRP 41 HD TRP 41 3.723 -12.647 -1.925 289 HE1 TRP 41 1HE TRP 41 3.662 -14.525 -3.675 290 HE3 TRP 41 3HE TRP 41 -1.291 -12.646 -2.941 291 HZ2 TRP 41 2HZ TRP 41 1.732 -15.633 -5.533 292 HZ3 TRP 41 3HZ TRP 41 -2.216 -14.102 -4.683 293 HH2 TRP 41 HH TRP 41 -0.721 -15.600 -6.018 294 H GLN 42 H GLN 42 -1.738 -10.012 -0.994 295 HA GLN 42 HA GLN 42 -1.559 -7.165 -0.410 296 HB2 GLN 42 1HB GLN 42 -3.622 -8.504 -1.187 297 HB3 GLN 42 2HB GLN 42 -3.732 -9.089 0.477 298 HG2 GLN 42 1HG GLN 42 -3.786 -6.648 1.215 299 HG3 GLN 42 2HG GLN 42 -3.871 -6.192 -0.481 300 HE21 GLN 42 2HE2 GLN 42 -5.850 -5.931 1.879 301 HE22 GLN 42 1HE2 GLN 42 -7.325 -6.621 1.222 302 H TYR 43 H TYR 43 -1.257 -6.171 1.535 303 HA TYR 43 HA TYR 43 -0.276 -7.611 3.874 304 HB2 TYR 43 1HB TYR 43 -1.010 -4.739 3.259 305 HB3 TYR 43 2HB TYR 43 -0.606 -5.250 4.892 306 HD1 TYR 43 2HD TYR 43 1.671 -6.225 5.388 307 HD2 TYR 43 1HD TYR 43 0.722 -4.293 1.660 308 HE1 TYR 43 2HE TYR 43 4.084 -5.866 4.962 309 HE2 TYR 43 1HE TYR 43 3.138 -3.914 1.227 310 HH TYR 43 HH TYR 43 5.668 -5.090 3.481 311 H ASP 44 H ASP 44 -1.270 -7.802 5.882 312 HA ASP 44 HA ASP 44 -4.005 -8.534 6.035 313 HB2 ASP 44 1HB ASP 44 -2.292 -9.410 7.509 314 HB3 ASP 44 2HB ASP 44 -1.934 -7.801 8.137 315 H GLU 45 H GLU 45 -5.754 -7.559 7.362 316 HA GLU 45 HA GLU 45 -6.235 -4.843 6.508 317 HB2 GLU 45 1HB GLU 45 -8.398 -5.181 7.745 318 HB3 GLU 45 2HB GLU 45 -8.064 -6.338 6.458 319 HG2 GLU 45 1HG GLU 45 -7.484 -8.076 8.041 320 HG3 GLU 45 2HG GLU 45 -7.490 -6.939 9.383 321 H ARG 46 H ARG 46 -4.873 -6.179 9.431 322 HA ARG 46 HA ARG 46 -5.288 -3.641 10.916 323 HB2 ARG 46 1HB ARG 46 -3.783 -6.053 11.915 324 HB3 ARG 46 2HB ARG 46 -4.559 -4.772 12.838 325 HG2 ARG 46 1HG ARG 46 -5.883 -7.096 11.400 326 HG3 ARG 46 2HG ARG 46 -5.900 -6.721 13.119 327 HD2 ARG 46 1HD ARG 46 -7.323 -4.716 12.659 328 HD3 ARG 46 2HD ARG 46 -7.244 -5.088 10.927 329 HE ARG 46 HE ARG 46 -8.829 -6.672 11.107 330 HH11 ARG 46 1HH1 ARG 46 -7.830 -6.086 14.464 331 HH12 ARG 46 2HH1 ARG 46 -9.135 -7.061 15.074 332 HH21 ARG 46 1HH2 ARG 46 -10.360 -7.826 11.881 333 HH22 ARG 46 2HH2 ARG 46 -10.592 -8.073 13.605 334 H THR 47 H THR 47 -3.019 -5.021 8.802 335 HA THR 47 HA THR 47 -0.727 -3.427 9.838 336 HB THR 47 HB THR 47 -0.816 -5.560 7.667 337 HG1 THR 47 1HG THR 47 -1.038 -6.345 9.791 338 HG21 THR 47 3HG2 THR 47 1.712 -5.419 7.965 339 HG22 THR 47 1HG2 THR 47 0.984 -4.020 7.147 340 HG23 THR 47 2HG2 THR 47 1.445 -3.898 8.854 341 H SER 48 H SER 48 -2.477 -3.974 6.737 342 HA SER 48 HA SER 48 -1.261 -1.864 5.286 343 HB2 SER 48 1HB SER 48 -3.200 -2.005 3.791 344 HB3 SER 48 2HB SER 48 -2.554 -3.599 4.185 345 HG SER 48 HG SER 48 -4.278 -4.018 5.478 346 H ARG 49 H ARG 49 -3.972 -1.709 7.568 347 HA ARG 49 HA ARG 49 -4.769 0.945 6.958 348 HB2 ARG 49 1HB ARG 49 -6.066 0.894 8.884 349 HB3 ARG 49 2HB ARG 49 -6.021 -0.751 8.289 350 HG2 ARG 49 1HG ARG 49 -5.756 -1.054 10.563 351 HG3 ARG 49 2HG ARG 49 -4.123 -1.179 9.957 352 HD2 ARG 49 1HD ARG 49 -4.419 0.087 12.145 353 HD3 ARG 49 2HD ARG 49 -3.499 0.900 10.910 354 HE ARG 49 HE ARG 49 -6.375 1.564 11.070 355 HH11 ARG 49 1HH1 ARG 49 -3.097 2.609 12.037 356 HH12 ARG 49 2HH1 ARG 49 -3.563 4.304 11.897 357 HH21 ARG 49 1HH2 ARG 49 -6.828 3.811 11.065 358 HH22 ARG 49 2HH2 ARG 49 -5.537 4.924 11.470 359 H GLU 50 H GLU 50 -1.946 -0.207 8.724 360 HA GLU 50 HA GLU 50 -1.452 2.323 10.119 361 HB2 GLU 50 1HB GLU 50 0.471 0.051 9.461 362 HB3 GLU 50 2HB GLU 50 0.790 1.369 10.569 363 HG2 GLU 50 1HG GLU 50 -1.502 -0.591 11.008 364 HG3 GLU 50 2HG GLU 50 0.137 -0.892 11.562 365 H LEU 51 H LEU 51 -0.412 0.762 7.129 366 HA LEU 51 HA LEU 51 1.469 2.732 6.212 367 HB2 LEU 51 1HB LEU 51 -0.192 0.808 4.540 368 HB3 LEU 51 2HB LEU 51 1.384 1.484 4.156 369 HG LEU 51 HG LEU 51 0.801 -0.570 6.340 370 HD11 LEU 51 1HD1 LEU 51 0.566 -1.446 4.057 371 HD12 LEU 51 2HD1 LEU 51 2.217 -0.903 3.676 372 HD13 LEU 51 3HD1 LEU 51 1.942 -2.152 4.915 373 HD21 LEU 51 3HD2 LEU 51 3.296 -0.757 6.449 374 HD22 LEU 51 1HD2 LEU 51 3.402 0.682 5.406 375 HD23 LEU 51 2HD2 LEU 51 2.680 0.792 7.028 376 H GLU 52 H GLU 52 -1.971 2.129 5.506 377 HA GLU 52 HA GLU 52 -2.462 4.309 3.790 378 HB2 GLU 52 1HB GLU 52 -3.923 2.273 4.284 379 HB3 GLU 52 2HB GLU 52 -4.378 3.051 5.792 380 HG2 GLU 52 1HG GLU 52 -6.131 3.460 4.258 381 HG3 GLU 52 2HG GLU 52 -5.304 4.985 4.458 382 H ASP 53 H ASP 53 -2.271 4.261 7.349 383 HA ASP 53 HA ASP 53 -3.518 6.885 7.676 384 HB2 ASP 53 1HB ASP 53 -3.443 4.832 9.282 385 HB3 ASP 53 2HB ASP 53 -1.851 5.405 9.738 386 H ALA 54 H ALA 54 -0.261 5.533 7.576 387 HA ALA 54 HA ALA 54 1.199 7.725 8.582 388 HB1 ALA 54 1HB ALA 54 2.102 5.528 8.477 389 HB2 ALA 54 2HB ALA 54 1.928 5.451 6.715 390 HB3 ALA 54 3HB ALA 54 3.125 6.558 7.437 391 H PHE 55 H PHE 55 0.609 7.016 5.069 392 HA PHE 55 HA PHE 55 1.938 9.457 4.264 393 HB2 PHE 55 1HB PHE 55 1.528 8.872 2.121 394 HB3 PHE 55 2HB PHE 55 1.420 7.291 2.859 395 HD1 PHE 55 1HD PHE 55 -0.844 6.243 3.253 396 HD2 PHE 55 2HD PHE 55 -0.339 9.893 1.029 397 HE1 PHE 55 1HE PHE 55 -3.086 5.933 2.225 398 HE2 PHE 55 2HE PHE 55 -2.582 9.578 -0.005 399 HZ PHE 55 HZ PHE 55 -3.957 7.590 0.595 400 H SER 56 H SER 56 -1.144 8.818 5.537 401 HA SER 56 HA SER 56 -2.444 11.295 4.594 402 HB2 SER 56 1HB SER 56 -3.543 8.994 5.121 403 HB3 SER 56 2HB SER 56 -3.452 9.502 6.809 404 HG SER 56 HG SER 56 -5.453 10.102 5.803 405 H LYS 57 H LYS 57 -0.738 10.165 7.511 406 HA LYS 57 HA LYS 57 -1.296 12.487 9.172 407 HB2 LYS 57 1HB LYS 57 0.745 10.240 9.203 408 HB3 LYS 57 2HB LYS 57 0.772 11.537 10.397 409 HG2 LYS 57 1HG LYS 57 -1.208 10.871 11.427 410 HG3 LYS 57 2HG LYS 57 -1.802 10.011 10.007 411 HD2 LYS 57 1HD LYS 57 -1.090 8.423 11.772 412 HD3 LYS 57 2HD LYS 57 -0.189 8.248 10.279 413 HE2 LYS 57 1HE LYS 57 1.551 8.117 11.769 414 HE3 LYS 57 2HE LYS 57 1.592 9.827 11.398 415 HZ1 LYS 57 3HZ LYS 57 1.679 9.491 13.793 416 HZ2 LYS 57 1HZ LYS 57 0.283 10.252 13.423 417 HZ3 LYS 57 2HZ LYS 57 0.272 8.659 13.790 418 H GLY 58 H GLY 58 1.418 11.510 7.066 419 HA2 GLY 58 1HA GLY 58 2.381 13.381 5.699 420 HA3 GLY 58 2HA GLY 58 2.574 14.283 7.219 421 H LYS 59 H LYS 59 3.264 11.157 8.134 422 HA LYS 59 HA LYS 59 6.112 11.602 8.026 423 HB2 LYS 59 1HB LYS 59 6.238 9.210 8.864 424 HB3 LYS 59 2HB LYS 59 5.423 10.376 9.889 425 HG2 LYS 59 1HG LYS 59 3.261 9.528 9.391 426 HG3 LYS 59 2HG LYS 59 3.866 8.637 7.988 427 HD2 LYS 59 1HD LYS 59 3.363 7.158 9.902 428 HD3 LYS 59 2HD LYS 59 5.034 7.071 9.387 429 HE2 LYS 59 1HE LYS 59 5.700 8.564 11.272 430 HE3 LYS 59 2HE LYS 59 4.019 8.608 11.815 431 HZ1 LYS 59 3HZ LYS 59 5.271 6.927 13.021 432 HZ2 LYS 59 1HZ LYS 59 4.161 6.158 12.095 433 HZ3 LYS 59 2HZ LYS 59 5.726 6.180 11.643 434 H LYS 60 H LYS 60 7.666 10.355 7.047 435 HA LYS 60 HA LYS 60 7.002 9.690 4.219 436 HB2 LYS 60 1HB LYS 60 9.128 10.440 3.644 437 HB3 LYS 60 2HB LYS 60 8.551 11.575 4.851 438 HG2 LYS 60 1HG LYS 60 9.952 10.321 6.560 439 HG3 LYS 60 2HG LYS 60 10.605 9.364 5.223 440 HD2 LYS 60 1HD LYS 60 12.181 11.087 5.700 441 HD3 LYS 60 2HD LYS 60 11.418 11.484 4.154 442 HE2 LYS 60 1HE LYS 60 9.923 13.108 5.310 443 HE3 LYS 60 2HE LYS 60 10.657 12.681 6.862 444 HZ1 LYS 60 3HZ LYS 60 11.636 14.694 5.942 445 HZ2 LYS 60 1HZ LYS 60 12.776 13.528 6.016 446 HZ3 LYS 60 2HZ LYS 60 12.094 13.921 4.579 447 H ASN 61 H ASN 61 7.361 7.986 6.966 448 HA ASN 61 HA ASN 61 7.547 5.486 5.707 449 HB2 ASN 61 1HB ASN 61 9.612 4.570 6.595 450 HB3 ASN 61 2HB ASN 61 9.995 5.919 5.539 451 HD21 ASN 61 2HD2 ASN 61 10.349 8.030 6.632 452 HD22 ASN 61 1HD2 ASN 61 11.182 8.035 8.179 453 H THR 62 H THR 62 7.011 3.847 7.115 454 HA THR 62 HA THR 62 6.633 4.469 10.012 455 HB THR 62 HB THR 62 4.545 5.028 8.686 456 HG1 THR 62 1HG THR 62 3.309 3.980 10.379 457 HG21 THR 62 3HG2 THR 62 3.009 3.178 8.191 458 HG22 THR 62 1HG2 THR 62 4.473 3.018 7.210 459 HG23 THR 62 2HG2 THR 62 4.237 1.979 8.632 460 H GLU 63 H GLU 63 5.580 2.342 11.047 461 HA GLU 63 HA GLU 63 7.446 0.106 10.363 462 HB2 GLU 63 1HB GLU 63 6.901 1.492 13.018 463 HB3 GLU 63 2HB GLU 63 7.642 -0.107 12.898 464 HG2 GLU 63 1HG GLU 63 9.442 0.775 11.506 465 HG3 GLU 63 2HG GLU 63 8.748 2.394 11.556 466 H MET 64 H MET 64 6.801 -1.923 10.781 467 HA MET 64 HA MET 64 4.136 -2.519 11.916 468 HB2 MET 64 1HB MET 64 3.556 -3.814 9.831 469 HB3 MET 64 2HB MET 64 3.503 -2.059 9.670 470 HG2 MET 64 1HG MET 64 5.647 -2.033 8.527 471 HG3 MET 64 2HG MET 64 5.895 -3.751 8.856 472 HE1 MET 64 3HE MET 64 5.769 -3.676 5.082 473 HE2 MET 64 1HE MET 64 6.735 -3.135 6.469 474 HE3 MET 64 2HE MET 64 6.207 -4.835 6.359 475 H LEU 65 H LEU 65 3.803 -4.602 12.494 476 HA LEU 65 HA LEU 65 6.184 -6.355 12.712 477 HB2 LEU 65 1HB LEU 65 4.436 -5.395 14.668 478 HB3 LEU 65 2HB LEU 65 3.722 -6.943 14.301 479 HG LEU 65 HG LEU 65 5.181 -7.095 16.190 480 HD11 LEU 65 1HD1 LEU 65 5.133 -9.082 14.739 481 HD12 LEU 65 2HD1 LEU 65 6.608 -8.504 13.925 482 HD13 LEU 65 3HD1 LEU 65 6.650 -8.920 15.641 483 HD21 LEU 65 3HD2 LEU 65 7.543 -6.567 16.162 484 HD22 LEU 65 1HD2 LEU 65 7.484 -6.188 14.429 485 HD23 LEU 65 2HD2 LEU 65 6.613 -5.163 15.587 486 H ILE 66 H ILE 66 6.110 -8.401 12.077 487 HA ILE 66 HA ILE 66 3.733 -9.392 10.508 488 HB ILE 66 HB ILE 66 5.134 -10.312 8.864 489 HG12 ILE 66 1HG1 ILE 66 7.668 -8.991 9.420 490 HG13 ILE 66 2HG1 ILE 66 7.267 -10.015 10.777 491 HG21 ILE 66 1HG2 ILE 66 4.297 -7.972 8.688 492 HG22 ILE 66 2HG2 ILE 66 5.882 -7.390 9.227 493 HG23 ILE 66 3HG2 ILE 66 5.727 -8.324 7.718 494 HD11 ILE 66 3HD1 ILE 66 8.609 -11.081 8.858 495 HD12 ILE 66 1HD1 ILE 66 7.232 -11.993 9.484 496 HD13 ILE 66 2HD1 ILE 66 7.076 -11.097 7.970 497 H ALA 67 H ALA 67 5.041 -11.937 9.912 498 HA ALA 67 HA ALA 67 4.117 -13.540 12.015 499 HB1 ALA 67 1HB ALA 67 4.428 -14.215 9.635 500 HB2 ALA 67 2HB ALA 67 6.197 -14.126 9.850 501 HB3 ALA 67 3HB ALA 67 5.252 -15.337 10.739 502 H GLY 68 H GLY 68 7.164 -11.880 11.938 503 HA2 GLY 68 1HA GLY 68 7.877 -12.709 14.568 504 HA3 GLY 68 2HA GLY 68 8.812 -13.654 13.431 505 H PHE 69 H PHE 69 8.109 -10.344 12.472 506 HA PHE 69 HA PHE 69 10.788 -9.365 13.239 507 HB2 PHE 69 1HB PHE 69 9.941 -9.794 10.341 508 HB3 PHE 69 2HB PHE 69 11.357 -8.911 10.850 509 HD1 PHE 69 2HD PHE 69 13.312 -10.061 11.860 510 HD2 PHE 69 1HD PHE 69 9.935 -12.259 10.316 511 HE1 PHE 69 2HE PHE 69 14.680 -12.131 11.804 512 HE2 PHE 69 1HE PHE 69 11.306 -14.322 10.257 513 HZ PHE 69 HZ PHE 69 13.680 -14.264 11.002 514 H LEU 70 H LEU 70 11.121 -7.150 12.822 515 HA LEU 70 HA LEU 70 8.675 -5.495 12.398 516 HB2 LEU 70 1HB LEU 70 10.260 -5.195 14.430 517 HB3 LEU 70 2HB LEU 70 11.439 -4.616 13.268 518 HG LEU 70 HG LEU 70 10.494 -2.755 14.356 519 HD11 LEU 70 1HD1 LEU 70 10.763 -2.549 11.813 520 HD12 LEU 70 2HD1 LEU 70 8.985 -2.654 11.745 521 HD13 LEU 70 3HD1 LEU 70 9.761 -1.346 12.634 522 HD21 LEU 70 3HD2 LEU 70 8.090 -2.183 14.339 523 HD22 LEU 70 1HD2 LEU 70 7.726 -3.762 13.613 524 HD23 LEU 70 2HD2 LEU 70 8.445 -3.670 15.237 525 H TYR 71 H TYR 71 8.385 -4.666 10.489 526 HA TYR 71 HA TYR 71 10.689 -4.171 8.643 527 HB2 TYR 71 1HB TYR 71 7.850 -4.886 7.942 528 HB3 TYR 71 2HB TYR 71 9.041 -4.317 6.776 529 HD1 TYR 71 1HD TYR 71 11.505 -5.870 7.644 530 HD2 TYR 71 2HD TYR 71 7.390 -7.067 7.154 531 HE1 TYR 71 1HE TYR 71 12.223 -8.211 7.329 532 HE2 TYR 71 2HE TYR 71 8.085 -9.400 6.947 533 HH TYR 71 HH TYR 71 11.564 -10.377 7.020 534 H VAL 72 H VAL 72 11.070 -2.232 8.023 535 HA VAL 72 HA VAL 72 9.346 0.046 8.792 536 HB VAL 72 HB VAL 72 12.007 0.091 7.323 537 HG11 VAL 72 1HG1 VAL 72 10.642 2.155 7.048 538 HG12 VAL 72 2HG1 VAL 72 10.493 2.284 8.817 539 HG13 VAL 72 3HG1 VAL 72 12.074 2.461 8.040 540 HG21 VAL 72 3HG2 VAL 72 13.025 0.769 9.483 541 HG22 VAL 72 1HG2 VAL 72 11.494 0.400 10.305 542 HG23 VAL 72 2HG2 VAL 72 12.426 -0.889 9.507 543 H ALA 73 H ALA 73 7.865 0.712 7.373 544 HA ALA 73 HA ALA 73 8.001 -0.033 4.483 545 HB1 ALA 73 1HB ALA 73 5.896 -0.558 5.631 546 HB2 ALA 73 2HB ALA 73 5.758 1.126 6.183 547 HB3 ALA 73 3HB ALA 73 5.663 0.747 4.448 548 H ASP 74 H ASP 74 9.237 1.340 3.429 549 HA ASP 74 HA ASP 74 9.540 4.174 4.126 550 HB2 ASP 74 1HB ASP 74 11.401 2.662 3.397 551 HB3 ASP 74 2HB ASP 74 10.644 2.560 1.810 552 H LEU 75 H LEU 75 7.973 5.532 3.558 553 HA LEU 75 HA LEU 75 6.132 4.968 1.339 554 HB2 LEU 75 1HB LEU 75 6.194 6.903 3.670 555 HB3 LEU 75 2HB LEU 75 5.149 7.207 2.303 556 HG LEU 75 HG LEU 75 3.950 5.157 2.634 557 HD11 LEU 75 1HD1 LEU 75 5.596 3.641 3.624 558 HD12 LEU 75 2HD1 LEU 75 5.578 4.615 5.120 559 HD13 LEU 75 3HD1 LEU 75 4.123 3.750 4.592 560 HD21 LEU 75 3HD2 LEU 75 2.737 5.878 4.591 561 HD22 LEU 75 1HD2 LEU 75 4.190 6.641 5.286 562 HD23 LEU 75 2HD2 LEU 75 3.419 7.337 3.861 563 H GLU 76 H GLU 76 9.114 6.596 1.571 564 HA GLU 76 HA GLU 76 8.536 8.677 -0.443 565 HB2 GLU 76 1HB GLU 76 11.220 7.584 0.499 566 HB3 GLU 76 2HB GLU 76 10.929 8.979 -0.512 567 HG2 GLU 76 1HG GLU 76 9.702 9.976 1.493 568 HG3 GLU 76 2HG GLU 76 10.322 8.618 2.435 569 H ASN 77 H ASN 77 10.389 5.659 -0.248 570 HA ASN 77 HA ASN 77 10.841 5.519 -3.158 571 HB2 ASN 77 1HB ASN 77 11.828 3.873 -0.788 572 HB3 ASN 77 2HB ASN 77 12.372 3.667 -2.451 573 HD21 ASN 77 2HD2 ASN 77 12.411 5.926 0.357 574 HD22 ASN 77 1HD2 ASN 77 13.858 6.753 -0.199 575 H MET 78 H MET 78 8.550 4.380 -1.002 576 HA MET 78 HA MET 78 6.996 2.696 -0.879 577 HB2 MET 78 1HB MET 78 7.337 2.625 -3.893 578 HB3 MET 78 2HB MET 78 6.058 1.812 -2.995 579 HG2 MET 78 1HG MET 78 6.349 4.761 -2.533 580 HG3 MET 78 2HG MET 78 5.789 4.231 -4.107 581 HE1 MET 78 3HE MET 78 3.418 4.093 -0.197 582 HE2 MET 78 1HE MET 78 5.012 3.316 -0.236 583 HE3 MET 78 2HE MET 78 4.854 5.064 -0.567 584 H VAL 79 H VAL 79 8.915 1.641 0.253 585 HA VAL 79 HA VAL 79 9.122 -1.114 -0.828 586 HB VAL 79 HB VAL 79 11.543 -1.326 -0.260 587 HG11 VAL 79 1HG1 VAL 79 10.897 -1.084 -2.624 588 HG12 VAL 79 2HG1 VAL 79 11.076 0.677 -2.494 589 HG13 VAL 79 3HG1 VAL 79 12.485 -0.386 -2.265 590 HG21 VAL 79 3HG2 VAL 79 12.981 0.646 -0.116 591 HG22 VAL 79 1HG2 VAL 79 11.572 1.712 -0.177 592 HG23 VAL 79 2HG2 VAL 79 11.818 0.621 1.207 593 H GLN 80 H GLN 80 9.656 -2.742 0.686 594 HA GLN 80 HA GLN 80 9.394 -1.939 3.568 595 HB2 GLN 80 1HB GLN 80 8.818 -4.239 4.039 596 HB3 GLN 80 2HB GLN 80 7.668 -3.533 2.909 597 HG2 GLN 80 1HG GLN 80 8.471 -4.796 1.075 598 HG3 GLN 80 2HG GLN 80 9.991 -5.203 1.867 599 HE21 GLN 80 2HE2 GLN 80 9.403 -6.387 4.257 600 HE22 GLN 80 1HE2 GLN 80 8.420 -7.805 3.928 601 H TYR 81 H TYR 81 11.024 -2.516 5.020 602 HA TYR 81 HA TYR 81 13.019 -4.502 4.366 603 HB2 TYR 81 1HB TYR 81 14.995 -3.015 4.618 604 HB3 TYR 81 2HB TYR 81 14.108 -2.867 3.135 605 HD1 TYR 81 2HD TYR 81 14.355 -1.158 6.506 606 HD2 TYR 81 1HD TYR 81 13.648 -0.795 2.267 607 HE1 TYR 81 2HE TYR 81 14.348 1.314 6.714 608 HE2 TYR 81 1HE TYR 81 13.677 1.663 2.454 609 HH TYR 81 HH TYR 81 13.771 3.487 3.919 610 H ARG 82 H ARG 82 14.576 -4.904 6.092 611 HA ARG 82 HA ARG 82 13.348 -4.707 8.755 612 HB2 ARG 82 1HB ARG 82 14.277 -6.794 7.998 613 HB3 ARG 82 2HB ARG 82 15.829 -6.045 7.624 614 HG2 ARG 82 1HG ARG 82 16.273 -5.667 10.008 615 HG3 ARG 82 2HG ARG 82 14.665 -6.299 10.435 616 HD2 ARG 82 1HD ARG 82 15.256 -8.504 9.583 617 HD3 ARG 82 2HD ARG 82 16.785 -7.890 8.936 618 HE ARG 82 HE ARG 82 16.170 -7.834 11.864 619 HH11 ARG 82 1HH1 ARG 82 18.440 -8.907 9.296 620 HH12 ARG 82 2HH1 ARG 82 19.561 -9.488 10.487 621 HH21 ARG 82 1HH2 ARG 82 17.709 -8.590 13.270 622 HH22 ARG 82 2HH2 ARG 82 19.173 -9.307 12.671 623 H ARG 83 H ARG 83 14.014 -3.435 10.440 624 HA ARG 83 HA ARG 83 15.128 -0.942 10.121 625 HB2 ARG 83 1HB ARG 83 15.105 -2.752 12.564 626 HB3 ARG 83 2HB ARG 83 15.703 -1.093 12.625 627 HG2 ARG 83 1HG ARG 83 13.543 -0.189 11.977 628 HG3 ARG 83 2HG ARG 83 12.903 -1.818 11.708 629 HD2 ARG 83 1HD ARG 83 12.155 -0.891 13.886 630 HD3 ARG 83 2HD ARG 83 13.076 -2.375 14.055 631 HE ARG 83 HE ARG 83 14.846 -1.239 15.055 632 HH11 ARG 83 1HH1 ARG 83 12.298 1.137 14.292 633 HH12 ARG 83 2HH1 ARG 83 13.155 2.399 15.127 634 HH21 ARG 83 1HH2 ARG 83 15.819 0.432 16.148 635 HH22 ARG 83 2HH2 ARG 83 15.074 1.999 16.196 636 H ASN 84 H ASN 84 17.007 -3.791 11.189 637 HA ASN 84 HA ASN 84 19.510 -2.252 11.276 638 HB2 ASN 84 1HB ASN 84 18.685 -3.877 13.046 639 HB3 ASN 84 2HB ASN 84 19.045 -5.180 11.912 640 HD21 ASN 84 2HD2 ASN 84 21.077 -6.063 12.247 641 HD22 ASN 84 1HD2 ASN 84 22.444 -5.189 12.917 642 H GLU 85 H GLU 85 17.971 -3.580 8.699 643 HA GLU 85 HA GLU 85 20.405 -4.342 7.229 644 HB2 GLU 85 1HB GLU 85 19.532 -6.345 8.529 645 HB3 GLU 85 2HB GLU 85 18.071 -6.264 7.546 646 HG2 GLU 85 1HG GLU 85 19.432 -6.670 5.510 647 HG3 GLU 85 2HG GLU 85 20.903 -6.605 6.483 648 H HIS 86 H HIS 86 19.181 -2.072 6.815 649 HA HIS 86 HA HIS 86 16.748 -2.018 5.403 650 HB2 HIS 86 1HB HIS 86 17.322 0.340 5.023 651 HB3 HIS 86 2HB HIS 86 17.617 -0.172 6.685 652 HD2 HIS 86 2HD HIS 86 19.497 0.859 3.481 653 HE1 HIS 86 1HE HIS 86 22.378 0.796 6.614 654 HE2 HIS 86 2HE HIS 86 21.976 1.410 4.174 655 H GLY 87 H GLY 87 19.873 -2.701 4.181 656 HA2 GLY 87 1HA GLY 87 19.559 -1.987 1.400 657 HA3 GLY 87 2HA GLY 87 20.700 -3.190 2.054 658 H ARG 88 H ARG 88 18.695 -4.930 3.236 659 HA ARG 88 HA ARG 88 17.672 -6.392 0.907 660 HB2 ARG 88 1HB ARG 88 17.626 -6.768 3.912 661 HB3 ARG 88 2HB ARG 88 16.461 -7.634 2.945 662 HG2 ARG 88 1HG ARG 88 19.478 -7.800 2.568 663 HG3 ARG 88 2HG ARG 88 18.487 -8.958 3.451 664 HD2 ARG 88 1HD ARG 88 18.441 -8.391 0.465 665 HD3 ARG 88 2HD ARG 88 18.936 -9.872 1.258 666 HE ARG 88 HE ARG 88 16.257 -9.075 0.533 667 HH11 ARG 88 1HH1 ARG 88 17.934 -11.160 2.907 668 HH12 ARG 88 2HH1 ARG 88 16.441 -12.070 3.166 669 HH21 ARG 88 1HH2 ARG 88 14.436 -10.322 1.095 670 HH22 ARG 88 2HH2 ARG 88 14.644 -11.629 2.245 671 H ARG 89 H ARG 89 16.155 -5.330 -0.186 672 HA ARG 89 HA ARG 89 13.628 -4.638 1.157 673 HB2 ARG 89 1HB ARG 89 13.561 -2.384 0.397 674 HB3 ARG 89 2HB ARG 89 15.120 -2.614 1.173 675 HG2 ARG 89 1HG ARG 89 16.061 -3.033 -1.197 676 HG3 ARG 89 2HG ARG 89 14.513 -2.382 -1.787 677 HD2 ARG 89 1HD ARG 89 14.899 -0.295 -0.567 678 HD3 ARG 89 2HD ARG 89 16.392 -0.925 0.103 679 HE ARG 89 HE ARG 89 15.971 0.218 -2.520 680 HH11 ARG 89 1HH1 ARG 89 18.073 -2.185 -0.931 681 HH12 ARG 89 2HH1 ARG 89 19.375 -1.860 -2.030 682 HH21 ARG 89 1HH2 ARG 89 17.686 0.515 -3.904 683 HH22 ARG 89 2HH2 ARG 89 19.154 -0.390 -3.694 684 H ARG 90 H ARG 90 11.880 -4.085 -0.273 685 HA ARG 90 HA ARG 90 11.997 -4.732 -3.108 686 HB2 ARG 90 1HB ARG 90 10.233 -6.522 -2.971 687 HB3 ARG 90 2HB ARG 90 11.840 -7.005 -2.432 688 HG2 ARG 90 1HG ARG 90 11.222 -6.921 -0.121 689 HG3 ARG 90 2HG ARG 90 9.688 -6.104 -0.479 690 HD2 ARG 90 1HD ARG 90 8.703 -8.001 -1.384 691 HD3 ARG 90 2HD ARG 90 10.243 -8.834 -1.645 692 HE ARG 90 HE ARG 90 8.790 -8.459 0.931 693 HH11 ARG 90 1HH1 ARG 90 11.546 -10.100 -0.721 694 HH12 ARG 90 2HH1 ARG 90 11.845 -11.035 0.749 695 HH21 ARG 90 1HH2 ARG 90 9.379 -9.801 2.646 696 HH22 ARG 90 2HH2 ARG 90 10.799 -10.848 2.455 697 H LYS 91 H LYS 91 10.158 -4.180 -4.242 698 HA LYS 91 HA LYS 91 8.989 -1.767 -3.352 699 HB2 LYS 91 1HB LYS 91 9.154 -3.366 -5.790 700 HB3 LYS 91 2HB LYS 91 7.550 -2.707 -5.618 701 HG2 LYS 91 1HG LYS 91 9.991 -0.938 -5.282 702 HG3 LYS 91 2HG LYS 91 9.373 -1.330 -6.885 703 HD2 LYS 91 1HD LYS 91 7.562 -0.166 -4.753 704 HD3 LYS 91 2HD LYS 91 8.555 0.864 -5.786 705 HE2 LYS 91 1HE LYS 91 7.413 0.088 -7.771 706 HE3 LYS 91 2HE LYS 91 6.631 -1.227 -6.889 707 HZ1 LYS 91 3HZ LYS 91 5.099 0.609 -7.212 708 HZ2 LYS 91 1HZ LYS 91 5.395 0.420 -5.607 709 HZ3 LYS 91 2HZ LYS 91 6.092 1.653 -6.442 710 H ILE 92 H ILE 92 7.040 -1.081 -2.817 711 HA ILE 92 HA ILE 92 4.793 -3.017 -2.485 712 HB ILE 92 HB ILE 92 4.041 -2.003 -0.488 713 HG12 ILE 92 1HG1 ILE 92 6.086 0.141 -1.001 714 HG13 ILE 92 2HG1 ILE 92 4.342 0.281 -0.869 715 HG21 ILE 92 1HG2 ILE 92 5.921 -3.657 -0.322 716 HG22 ILE 92 2HG2 ILE 92 7.036 -2.292 -0.099 717 HG23 ILE 92 3HG2 ILE 92 5.733 -2.591 1.074 718 HD11 ILE 92 3HD1 ILE 92 5.399 1.220 1.097 719 HD12 ILE 92 1HD1 ILE 92 4.514 -0.249 1.571 720 HD13 ILE 92 2HD1 ILE 92 6.291 -0.271 1.408 721 H LYS 93 H LYS 93 2.643 -1.845 -2.392 722 HA LYS 93 HA LYS 93 2.470 0.706 -3.801 723 HB2 LYS 93 1HB LYS 93 1.231 -0.075 -5.725 724 HB3 LYS 93 2HB LYS 93 2.775 -0.920 -5.685 725 HG2 LYS 93 1HG LYS 93 1.718 -2.943 -4.821 726 HG3 LYS 93 2HG LYS 93 0.171 -2.110 -4.615 727 HD2 LYS 93 1HD LYS 93 -0.030 -1.755 -7.016 728 HD3 LYS 93 2HD LYS 93 1.513 -2.593 -7.302 729 HE2 LYS 93 1HE LYS 93 0.647 -4.689 -6.605 730 HE3 LYS 93 2HE LYS 93 -0.700 -3.945 -5.725 731 HZ1 LYS 93 3HZ LYS 93 -1.393 -4.960 -7.837 732 HZ2 LYS 93 1HZ LYS 93 -1.752 -3.369 -7.739 733 HZ3 LYS 93 2HZ LYS 93 -0.489 -3.878 -8.674 734 H ARG 94 H ARG 94 0.226 1.422 -4.135 735 HA ARG 94 HA ARG 94 -1.738 0.360 -2.140 736 HB2 ARG 94 1HB ARG 94 -1.452 3.109 -3.424 737 HB3 ARG 94 2HB ARG 94 -2.914 2.560 -2.595 738 HG2 ARG 94 1HG ARG 94 -1.606 2.143 -0.538 739 HG3 ARG 94 2HG ARG 94 -0.156 2.780 -1.332 740 HD2 ARG 94 1HD ARG 94 -1.066 4.536 0.027 741 HD3 ARG 94 2HD ARG 94 -1.348 4.974 -1.648 742 HE ARG 94 HE ARG 94 -3.364 4.051 0.374 743 HH11 ARG 94 1HH1 ARG 94 -2.882 5.354 -2.902 744 HH12 ARG 94 2HH1 ARG 94 -4.562 5.770 -3.054 745 HH21 ARG 94 1HH2 ARG 94 -5.417 4.736 0.161 746 HH22 ARG 94 2HH2 ARG 94 -5.999 5.379 -1.357 747 H ASP 95 H ASP 95 -3.828 -0.018 -2.803 748 HA ASP 95 HA ASP 95 -4.723 0.443 -5.557 749 HB2 ASP 95 1HB ASP 95 -3.911 -2.236 -4.581 750 HB3 ASP 95 2HB ASP 95 -5.576 -2.195 -5.131 751 H ILE 96 H ILE 96 -7.064 -0.260 -5.777 752 HA ILE 96 HA ILE 96 -8.612 0.256 -3.264 753 HB ILE 96 HB ILE 96 -9.205 1.340 -6.046 754 HG12 ILE 96 1HG1 ILE 96 -7.304 2.528 -4.971 755 HG13 ILE 96 2HG1 ILE 96 -8.710 3.543 -5.229 756 HG21 ILE 96 1HG2 ILE 96 -11.295 0.936 -4.912 757 HG22 ILE 96 2HG2 ILE 96 -10.692 1.605 -3.383 758 HG23 ILE 96 3HG2 ILE 96 -10.988 2.667 -4.776 759 HD11 ILE 96 3HD1 ILE 96 -7.538 3.809 -2.980 760 HD12 ILE 96 1HD1 ILE 96 -9.293 3.527 -2.917 761 HD13 ILE 96 2HD1 ILE 96 -8.178 2.199 -2.566 762 H ILE 97 H ILE 97 -10.241 -1.041 -2.927 763 HA ILE 97 HA ILE 97 -10.769 -3.322 -4.764 764 HB ILE 97 HB ILE 97 -11.889 -2.749 -2.022 765 HG12 ILE 97 1HG1 ILE 97 -10.428 -4.916 -1.578 766 HG13 ILE 97 2HG1 ILE 97 -9.485 -4.319 -2.938 767 HG21 ILE 97 1HG2 ILE 97 -13.437 -4.082 -3.243 768 HG22 ILE 97 2HG2 ILE 97 -12.150 -5.184 -3.800 769 HG23 ILE 97 3HG2 ILE 97 -12.619 -5.119 -2.080 770 HD11 ILE 97 3HD1 ILE 97 -8.944 -3.657 -0.433 771 HD12 ILE 97 1HD1 ILE 97 -8.722 -2.470 -1.736 772 HD13 ILE 97 2HD1 ILE 97 -10.162 -2.412 -0.679 773 H ASP 98 H ASP 98 -12.631 -3.659 -5.854 774 HA ASP 98 HA ASP 98 -14.495 -1.385 -6.064 775 HB2 ASP 98 1HB ASP 98 -13.287 -2.198 -8.068 776 HB3 ASP 98 2HB ASP 98 -14.089 -3.759 -7.905 777 H ILE 99 H ILE 99 -14.522 -4.606 -4.931 778 HA ILE 99 HA ILE 99 -15.944 -5.812 -3.685 779 HB ILE 99 HB ILE 99 -17.957 -3.571 -3.879 780 HG12 ILE 99 1HG1 ILE 99 -15.824 -2.794 -2.846 781 HG13 ILE 99 2HG1 ILE 99 -17.192 -2.762 -1.756 782 HG21 ILE 99 1HG2 ILE 99 -19.079 -5.585 -3.212 783 HG22 ILE 99 2HG2 ILE 99 -17.857 -5.920 -1.970 784 HG23 ILE 99 3HG2 ILE 99 -18.928 -4.514 -1.824 785 HD11 ILE 99 3HD1 ILE 99 -15.076 -3.574 -0.706 786 HD12 ILE 99 1HD1 ILE 99 -16.408 -4.730 -0.568 787 HD13 ILE 99 2HD1 ILE 99 -15.119 -4.999 -1.759 788 HA PRO 100 HA PRO 100 -18.126 -7.853 -7.036 789 HB2 PRO 100 1HB PRO 100 -18.545 -10.291 -5.922 790 HB3 PRO 100 2HB PRO 100 -16.902 -9.703 -6.302 791 HG2 PRO 100 1HG PRO 100 -18.352 -9.587 -3.627 792 HG3 PRO 100 2HG PRO 100 -16.705 -10.218 -3.959 793 HD2 PRO 100 1HD PRO 100 -17.157 -7.657 -3.079 794 HD3 PRO 100 2HD PRO 100 -15.825 -8.050 -4.206 795 H LYS 101 H LYS 101 -20.213 -9.031 -7.397 796 HA LYS 101 HA LYS 101 -22.457 -7.649 -6.255 797 HB2 LYS 101 1HB LYS 101 -23.820 -9.126 -7.620 798 HB3 LYS 101 2HB LYS 101 -22.456 -8.487 -8.534 799 HG2 LYS 101 1HG LYS 101 -21.265 -10.644 -8.337 800 HG3 LYS 101 2HG LYS 101 -22.527 -11.273 -7.278 801 HD2 LYS 101 1HD LYS 101 -22.825 -12.171 -9.516 802 HD3 LYS 101 2HD LYS 101 -24.182 -11.146 -9.067 803 HE2 LYS 101 1HE LYS 101 -23.667 -10.699 -11.360 804 HE3 LYS 101 2HE LYS 101 -23.215 -9.276 -10.424 805 HZ1 LYS 101 3HZ LYS 101 -21.513 -9.886 -12.049 806 HZ2 LYS 101 1HZ LYS 101 -20.895 -10.031 -10.545 807 HZ3 LYS 101 2HZ LYS 101 -21.331 -11.367 -11.385 808 H LYS 102 H LYS 102 -20.747 -10.325 -5.026 809 HA LYS 102 HA LYS 102 -22.875 -11.374 -3.295 810 HB2 LYS 102 1HB LYS 102 -20.995 -12.695 -4.307 811 HB3 LYS 102 2HB LYS 102 -19.859 -11.836 -3.260 812 HG2 LYS 102 1HG LYS 102 -20.996 -12.759 -1.259 813 HG3 LYS 102 2HG LYS 102 -22.186 -13.565 -2.283 814 HD2 LYS 102 1HD LYS 102 -19.179 -14.082 -2.246 815 HD3 LYS 102 2HD LYS 102 -20.382 -15.075 -1.433 816 HE2 LYS 102 1HE LYS 102 -20.202 -14.663 -4.458 817 HE3 LYS 102 2HE LYS 102 -19.547 -16.043 -3.578 818 HZ1 LYS 102 3HZ LYS 102 -21.710 -16.569 -4.491 819 HZ2 LYS 102 1HZ LYS 102 -21.804 -16.594 -2.861 820 HZ3 LYS 102 2HZ LYS 102 -22.426 -15.334 -3.698 821 H GLY 103 H GLY 103 -20.845 -8.622 -3.152 822 HA2 GLY 103 1HA GLY 103 -20.316 -8.454 -0.320 823 HA3 GLY 103 2HA GLY 103 -20.117 -7.172 -1.532 824 H VAL 104 H VAL 104 -22.893 -8.954 -0.174 825 HA VAL 104 HA VAL 104 -24.719 -6.723 -0.220 826 HB VAL 104 HB VAL 104 -24.849 -9.349 1.320 827 HG11 VAL 104 1HG1 VAL 104 -26.376 -7.767 2.399 828 HG12 VAL 104 2HG1 VAL 104 -27.034 -7.271 0.822 829 HG13 VAL 104 3HG1 VAL 104 -27.315 -8.911 1.444 830 HG21 VAL 104 3HG2 VAL 104 -26.422 -10.024 -0.482 831 HG22 VAL 104 1HG2 VAL 104 -26.138 -8.480 -1.312 832 HG23 VAL 104 2HG2 VAL 104 -24.825 -9.661 -1.137 833 H SER 105 H SER 105 -25.164 -5.167 1.247 834 HA SER 105 HA SER 105 -23.165 -4.611 3.260 835 HB2 SER 105 1HB SER 105 -24.395 -2.444 3.403 836 HB3 SER 105 2HB SER 105 -23.893 -2.891 1.768 837 HG SER 105 HG SER 105 -26.080 -2.123 1.849 838 H GLY 106 H GLY 106 -25.891 -6.479 3.642 839 HA2 GLY 106 1HA GLY 106 -27.029 -5.523 6.083 840 HA3 GLY 106 2HA GLY 106 -27.143 -7.170 5.471 841 HA PRO 107 HA PRO 107 -23.711 -6.551 8.942 842 HB2 PRO 107 1HB PRO 107 -25.995 -6.811 10.908 843 HB3 PRO 107 2HB PRO 107 -24.424 -5.970 11.108 844 HG2 PRO 107 1HG PRO 107 -26.653 -4.549 10.544 845 HG3 PRO 107 2HG PRO 107 -25.123 -4.178 9.683 846 HD2 PRO 107 1HD PRO 107 -27.478 -5.820 8.710 847 HD3 PRO 107 2HD PRO 107 -26.527 -4.562 7.856 848 H SER 108 H SER 108 -22.725 -8.372 9.787 849 HA SER 108 HA SER 108 -23.983 -10.990 9.355 850 HB2 SER 108 1HB SER 108 -21.685 -11.800 9.889 851 HB3 SER 108 2HB SER 108 -21.752 -10.652 8.547 852 HG SER 108 HG SER 108 -20.031 -10.184 10.027 853 H SER 109 H SER 109 -24.190 -8.910 11.896 854 HA SER 109 HA SER 109 -23.485 -10.479 14.162 855 HB2 SER 109 1HB SER 109 -25.462 -8.176 14.026 856 HB3 SER 109 2HB SER 109 -24.549 -8.724 15.443 857 HG SER 109 HG SER 109 -23.570 -6.888 14.469 858 H GLY 110 H GLY 110 -26.173 -10.993 12.169 859 HA2 GLY 110 1HA GLY 110 -27.322 -13.063 13.740 860 HA3 GLY 110 2HA GLY 110 -28.293 -11.611 13.984 861 H5'1 ATP 201 H5" ATP 111 11.793 -14.081 5.268 862 H5'2 ATP 201 H5' ATP 111 11.216 -12.427 5.389 863 H4' ATP 201 H4' ATP 111 10.294 -14.421 6.888 864 H3' ATP 201 H3' ATP 111 9.312 -15.503 4.590 865 HO3' ATP 201 H3T ATP 111 7.455 -16.144 6.075 866 H2' ATP 201 H2' ATP 111 8.063 -13.622 3.882 867 HO2' ATP 201 2HO ATP 111 6.486 -15.284 4.013 868 H1' ATP 201 H1' ATP 111 6.948 -13.058 6.605 869 H8 ATP 201 8H ATP 111 9.451 -11.105 4.423 870 HN61 ATP 201 2H6 ATP 111 6.205 -7.644 2.834 871 HN62 ATP 201 1H6 ATP 111 4.571 -7.326 3.417 872 H2 ATP 201 2H ATP 111 3.457 -10.146 6.433 Start of MODEL 18 1 HA PRO 1 HA PRO 1 -33.026 13.381 -14.733 2 HB2 PRO 1 1HB PRO 1 -32.752 12.340 -11.907 3 HB3 PRO 1 2HB PRO 1 -31.491 12.594 -13.151 4 HG2 PRO 1 1HG PRO 1 -32.359 14.438 -11.101 5 HG3 PRO 1 2HG PRO 1 -31.230 14.808 -12.437 6 HD2 PRO 1 1HD PRO 1 -33.738 15.980 -12.193 7 HD3 PRO 1 2HD PRO 1 -32.863 15.765 -13.728 8 H SER 2 H SER 2 -32.888 11.051 -15.194 9 HA SER 2 HA SER 2 -35.521 9.740 -15.098 10 HB2 SER 2 1HB SER 2 -34.426 8.204 -16.731 11 HB3 SER 2 2HB SER 2 -34.411 9.905 -17.214 12 HG SER 2 HG SER 2 -32.360 8.873 -17.537 13 H SER 3 H SER 3 -32.939 9.664 -12.983 14 HA SER 3 HA SER 3 -33.772 7.213 -11.673 15 HB2 SER 3 1HB SER 3 -32.255 6.420 -13.562 16 HB3 SER 3 2HB SER 3 -30.935 7.285 -12.760 17 HG SER 3 HG SER 3 -31.087 5.030 -12.171 18 H GLY 4 H GLY 4 -32.064 6.776 -9.814 19 HA2 GLY 4 1HA GLY 4 -30.789 7.611 -7.998 20 HA3 GLY 4 2HA GLY 4 -31.011 9.271 -8.582 21 H SER 5 H SER 5 -31.584 9.951 -6.487 22 HA SER 5 HA SER 5 -34.389 9.713 -5.755 23 HB2 SER 5 1HB SER 5 -33.373 7.613 -4.792 24 HB3 SER 5 2HB SER 5 -32.329 8.637 -3.794 25 HG SER 5 HG SER 5 -34.290 7.949 -2.725 26 H SER 6 H SER 6 -34.882 11.057 -3.798 27 HA SER 6 HA SER 6 -33.526 13.637 -4.006 28 HB2 SER 6 1HB SER 6 -35.816 12.766 -2.208 29 HB3 SER 6 2HB SER 6 -35.321 14.430 -2.563 30 HG SER 6 HG SER 6 -37.113 13.755 -3.858 31 H GLY 7 H GLY 7 -32.828 10.958 -2.091 32 HA2 GLY 7 1HA GLY 7 -31.130 12.537 -0.256 33 HA3 GLY 7 2HA GLY 7 -32.358 11.531 0.495 34 H PHE 8 H PHE 8 -29.704 11.168 1.042 35 HA PHE 8 HA PHE 8 -28.962 8.574 -0.197 36 HB2 PHE 8 1HB PHE 8 -26.723 9.355 -0.188 37 HB3 PHE 8 2HB PHE 8 -27.692 10.593 -0.952 38 HD1 PHE 8 2HD PHE 8 -28.125 12.766 0.219 39 HD2 PHE 8 1HD PHE 8 -25.517 9.764 1.888 40 HE1 PHE 8 2HE PHE 8 -27.184 14.448 1.785 41 HE2 PHE 8 1HE PHE 8 -24.580 11.446 3.451 42 HZ PHE 8 HZ PHE 8 -25.413 13.791 3.405 43 H LEU 9 H LEU 9 -27.115 7.586 1.210 44 HA LEU 9 HA LEU 9 -27.454 7.907 4.118 45 HB2 LEU 9 1HB LEU 9 -29.111 6.175 3.449 46 HB3 LEU 9 2HB LEU 9 -27.837 5.265 2.638 47 HG LEU 9 HG LEU 9 -26.713 4.884 4.829 48 HD11 LEU 9 1HD1 LEU 9 -27.476 6.851 6.110 49 HD12 LEU 9 2HD1 LEU 9 -29.159 6.289 6.004 50 HD13 LEU 9 3HD1 LEU 9 -27.959 5.366 6.934 51 HD21 LEU 9 3HD2 LEU 9 -28.360 3.278 5.697 52 HD22 LEU 9 1HD2 LEU 9 -29.651 4.071 4.767 53 HD23 LEU 9 2HD2 LEU 9 -28.321 3.243 3.928 54 H ASP 10 H ASP 10 -25.581 7.530 5.228 55 HA ASP 10 HA ASP 10 -23.190 6.383 3.968 56 HB2 ASP 10 1HB ASP 10 -23.510 8.797 3.161 57 HB3 ASP 10 2HB ASP 10 -23.288 9.277 4.845 58 H LYS 11 H LYS 11 -21.277 6.798 5.478 59 HA LYS 11 HA LYS 11 -21.965 6.437 8.354 60 HB2 LYS 11 1HB LYS 11 -20.662 4.531 6.385 61 HB3 LYS 11 2HB LYS 11 -20.152 4.482 8.052 62 HG2 LYS 11 1HG LYS 11 -23.005 4.525 8.178 63 HG3 LYS 11 2HG LYS 11 -22.603 3.445 6.837 64 HD2 LYS 11 1HD LYS 11 -21.082 2.175 8.372 65 HD3 LYS 11 2HD LYS 11 -21.538 3.283 9.693 66 HE2 LYS 11 1HE LYS 11 -23.917 2.603 9.434 67 HE3 LYS 11 2HE LYS 11 -23.467 1.503 8.124 68 HZ1 LYS 11 3HZ LYS 11 -23.663 0.330 10.234 69 HZ2 LYS 11 1HZ LYS 11 -22.114 0.262 9.723 70 HZ3 LYS 11 2HZ LYS 11 -22.533 1.278 10.935 71 HA PRO 12 HA PRO 12 -18.497 8.882 9.282 72 HB2 PRO 12 1HB PRO 12 -17.539 7.899 11.647 73 HB3 PRO 12 2HB PRO 12 -19.138 8.669 11.477 74 HG2 PRO 12 1HG PRO 12 -18.450 5.715 11.422 75 HG3 PRO 12 2HG PRO 12 -19.727 6.516 12.397 76 HD2 PRO 12 1HD PRO 12 -20.266 5.289 10.017 77 HD3 PRO 12 2HD PRO 12 -21.135 6.755 10.504 78 H THR 13 H THR 13 -16.179 8.878 9.965 79 HA THR 13 HA THR 13 -14.333 6.856 9.064 80 HB THR 13 HB THR 13 -15.391 7.482 6.884 81 HG1 THR 13 1HG THR 13 -13.505 7.427 5.919 82 HG21 THR 13 3HG2 THR 13 -15.148 9.631 5.933 83 HG22 THR 13 1HG2 THR 13 -15.800 9.923 7.539 84 HG23 THR 13 2HG2 THR 13 -14.071 10.198 7.232 85 H LEU 14 H LEU 14 -12.195 7.835 8.610 86 HA LEU 14 HA LEU 14 -11.533 9.866 10.713 87 HB2 LEU 14 1HB LEU 14 -9.781 7.663 9.561 88 HB3 LEU 14 2HB LEU 14 -9.409 8.706 10.919 89 HG LEU 14 HG LEU 14 -11.918 7.372 11.531 90 HD11 LEU 14 1HD1 LEU 14 -11.285 5.707 9.829 91 HD12 LEU 14 2HD1 LEU 14 -9.729 5.449 10.651 92 HD13 LEU 14 3HD1 LEU 14 -11.252 5.024 11.465 93 HD21 LEU 14 3HD2 LEU 14 -10.650 6.471 13.425 94 HD22 LEU 14 1HD2 LEU 14 -9.117 6.940 12.655 95 HD23 LEU 14 2HD2 LEU 14 -10.271 8.187 13.183 96 H LEU 15 H LEU 15 -11.803 9.537 7.394 97 HA LEU 15 HA LEU 15 -9.401 11.113 6.676 98 HB2 LEU 15 1HB LEU 15 -11.546 10.077 4.805 99 HB3 LEU 15 2HB LEU 15 -9.925 10.603 4.405 100 HG LEU 15 HG LEU 15 -10.677 8.053 5.894 101 HD11 LEU 15 1HD1 LEU 15 -11.117 8.052 3.457 102 HD12 LEU 15 2HD1 LEU 15 -9.429 8.513 3.150 103 HD13 LEU 15 3HD1 LEU 15 -9.807 6.940 3.886 104 HD21 LEU 15 3HD2 LEU 15 -8.261 7.472 5.751 105 HD22 LEU 15 1HD2 LEU 15 -7.909 9.112 5.162 106 HD23 LEU 15 2HD2 LEU 15 -8.545 8.858 6.805 107 H SER 16 H SER 16 -9.962 12.562 4.668 108 HA SER 16 HA SER 16 -11.590 14.826 5.610 109 HB2 SER 16 1HB SER 16 -9.410 14.376 3.571 110 HB3 SER 16 2HB SER 16 -10.309 15.845 3.619 111 HG SER 16 HG SER 16 -8.365 15.972 4.890 112 HA PRO 17 HA PRO 17 -14.797 14.344 2.557 113 HB2 PRO 17 1HB PRO 17 -15.291 16.926 1.778 114 HB3 PRO 17 2HB PRO 17 -15.754 16.264 3.375 115 HG2 PRO 17 1HG PRO 17 -13.282 17.882 2.677 116 HG3 PRO 17 2HG PRO 17 -14.414 18.122 4.047 117 HD2 PRO 17 1HD PRO 17 -12.074 16.777 4.359 118 HD3 PRO 17 2HD PRO 17 -13.565 16.267 5.217 119 H GLU 18 H GLU 18 -11.772 15.909 1.692 120 HA GLU 18 HA GLU 18 -12.241 15.700 -1.191 121 HB2 GLU 18 1HB GLU 18 -9.667 16.391 0.282 122 HB3 GLU 18 2HB GLU 18 -10.061 16.715 -1.411 123 HG2 GLU 18 1HG GLU 18 -11.945 18.215 -0.591 124 HG3 GLU 18 2HG GLU 18 -11.319 18.003 1.050 125 H GLU 19 H GLU 19 -11.183 13.496 1.193 126 HA GLU 19 HA GLU 19 -9.444 11.895 -0.589 127 HB2 GLU 19 1HB GLU 19 -10.346 11.690 2.303 128 HB3 GLU 19 2HB GLU 19 -9.597 10.339 1.494 129 HG2 GLU 19 1HG GLU 19 -8.385 13.106 1.856 130 HG3 GLU 19 2HG GLU 19 -8.038 11.686 2.853 131 H LEU 20 H LEU 20 -12.434 11.567 1.279 132 HA LEU 20 HA LEU 20 -13.289 9.032 0.373 133 HB2 LEU 20 1HB LEU 20 -14.980 11.423 1.199 134 HB3 LEU 20 2HB LEU 20 -15.500 9.750 1.266 135 HG LEU 20 HG LEU 20 -13.032 10.562 2.848 136 HD11 LEU 20 1HD1 LEU 20 -14.773 12.284 3.191 137 HD12 LEU 20 2HD1 LEU 20 -15.860 11.027 3.818 138 HD13 LEU 20 3HD1 LEU 20 -14.316 11.399 4.653 139 HD21 LEU 20 3HD2 LEU 20 -13.712 8.800 4.320 140 HD22 LEU 20 1HD2 LEU 20 -15.258 8.589 3.465 141 HD23 LEU 20 2HD2 LEU 20 -13.722 8.168 2.669 142 H LYS 21 H LYS 21 -14.278 12.273 -0.784 143 HA LYS 21 HA LYS 21 -15.841 11.306 -3.006 144 HB2 LYS 21 1HB LYS 21 -14.606 13.968 -2.295 145 HB3 LYS 21 2HB LYS 21 -15.291 13.730 -3.887 146 HG2 LYS 21 1HG LYS 21 -16.865 14.775 -2.293 147 HG3 LYS 21 2HG LYS 21 -17.472 13.318 -3.081 148 HD2 LYS 21 1HD LYS 21 -17.218 12.007 -1.054 149 HD3 LYS 21 2HD LYS 21 -16.298 13.295 -0.279 150 HE2 LYS 21 1HE LYS 21 -18.509 13.322 0.645 151 HE3 LYS 21 2HE LYS 21 -18.296 14.775 -0.333 152 HZ1 LYS 21 3HZ LYS 21 -20.443 13.715 -0.734 153 HZ2 LYS 21 1HZ LYS 21 -19.562 13.683 -2.107 154 HZ3 LYS 21 2HZ LYS 21 -19.734 12.324 -1.208 155 H ALA 22 H ALA 22 -12.345 11.768 -2.752 156 HA ALA 22 HA ALA 22 -11.867 11.505 -5.630 157 HB1 ALA 22 1HB ALA 22 -10.310 12.758 -4.219 158 HB2 ALA 22 2HB ALA 22 -9.987 11.324 -3.225 159 HB3 ALA 22 3HB ALA 22 -9.493 11.356 -4.928 160 H ALA 23 H ALA 23 -11.633 9.287 -2.804 161 HA ALA 23 HA ALA 23 -10.888 6.959 -4.301 162 HB1 ALA 23 1HB ALA 23 -10.608 7.224 -1.847 163 HB2 ALA 23 2HB ALA 23 -12.373 7.220 -1.638 164 HB3 ALA 23 3HB ALA 23 -11.541 5.768 -2.236 165 H SER 24 H SER 24 -14.112 8.138 -3.258 166 HA SER 24 HA SER 24 -15.614 5.956 -4.325 167 HB2 SER 24 1HB SER 24 -16.305 7.629 -2.581 168 HB3 SER 24 2HB SER 24 -16.577 8.800 -3.882 169 HG SER 24 HG SER 24 -18.135 7.311 -4.760 170 H ARG 25 H ARG 25 -14.212 8.690 -6.007 171 HA ARG 25 HA ARG 25 -15.866 8.541 -8.369 172 HB2 ARG 25 1HB ARG 25 -14.367 10.463 -7.607 173 HB3 ARG 25 2HB ARG 25 -12.998 9.520 -8.184 174 HG2 ARG 25 1HG ARG 25 -13.639 11.153 -9.833 175 HG3 ARG 25 2HG ARG 25 -13.968 9.549 -10.487 176 HD2 ARG 25 1HD ARG 25 -16.372 9.827 -10.007 177 HD3 ARG 25 2HD ARG 25 -16.048 11.380 -9.207 178 HE ARG 25 HE ARG 25 -15.013 11.452 -11.862 179 HH11 ARG 25 1HH1 ARG 25 -18.163 11.471 -10.251 180 HH12 ARG 25 2HH1 ARG 25 -18.926 12.337 -11.550 181 HH21 ARG 25 1HH2 ARG 25 -16.059 12.568 -13.504 182 HH22 ARG 25 2HH2 ARG 25 -17.749 12.947 -13.366 183 H GLY 26 H GLY 26 -13.135 6.701 -7.198 184 HA2 GLY 26 1HA GLY 26 -12.742 5.169 -9.723 185 HA3 GLY 26 2HA GLY 26 -11.852 4.982 -8.189 186 H ASN 27 H ASN 27 -13.484 4.424 -6.302 187 HA ASN 27 HA ASN 27 -15.744 2.754 -6.962 188 HB2 ASN 27 1HB ASN 27 -13.816 1.203 -7.502 189 HB3 ASN 27 2HB ASN 27 -13.334 1.284 -5.811 190 HD21 ASN 27 2HD2 ASN 27 -15.458 -0.214 -8.111 191 HD22 ASN 27 1HD2 ASN 27 -16.326 -1.202 -6.960 192 H GLY 28 H GLY 28 -13.338 3.609 -4.468 193 HA2 GLY 28 1HA GLY 28 -14.045 4.826 -2.484 194 HA3 GLY 28 2HA GLY 28 -15.492 3.805 -2.379 195 H GLU 29 H GLU 29 -13.293 1.597 -3.165 196 HA GLU 29 HA GLU 29 -12.529 0.902 -0.391 197 HB2 GLU 29 1HB GLU 29 -13.255 -0.571 -2.765 198 HB3 GLU 29 2HB GLU 29 -11.611 -0.972 -2.354 199 HG2 GLU 29 1HG GLU 29 -13.205 -2.507 -1.248 200 HG3 GLU 29 2HG GLU 29 -12.257 -1.600 -0.076 201 H TYR 30 H TYR 30 -10.311 -0.406 -0.431 202 HA TYR 30 HA TYR 30 -8.121 0.614 -1.961 203 HB2 TYR 30 1HB TYR 30 -6.981 1.913 -0.304 204 HB3 TYR 30 2HB TYR 30 -8.558 2.621 -0.577 205 HD1 TYR 30 1HD TYR 30 -10.464 1.968 1.090 206 HD2 TYR 30 2HD TYR 30 -6.288 1.233 1.865 207 HE1 TYR 30 1HE TYR 30 -10.952 1.788 3.534 208 HE2 TYR 30 2HE TYR 30 -6.771 1.016 4.301 209 HH TYR 30 HH TYR 30 -10.082 1.410 5.632 210 H ALA 31 H ALA 31 -6.173 -0.387 -1.532 211 HA ALA 31 HA ALA 31 -5.794 -2.163 0.774 212 HB1 ALA 31 1HB ALA 31 -6.963 -3.733 -0.573 213 HB2 ALA 31 2HB ALA 31 -6.192 -3.180 -2.074 214 HB3 ALA 31 3HB ALA 31 -5.265 -4.098 -0.862 215 H TRP 32 H TRP 32 -3.667 -2.948 0.953 216 HA TRP 32 HA TRP 32 -1.598 -1.625 -0.759 217 HB2 TRP 32 1HB TRP 32 -1.508 -2.402 2.174 218 HB3 TRP 32 2HB TRP 32 -0.079 -2.059 1.214 219 HD1 TRP 32 HD TRP 32 -3.354 -0.169 2.060 220 HE1 TRP 32 1HE TRP 32 -2.837 2.324 2.283 221 HE3 TRP 32 3HE TRP 32 1.674 -0.295 0.999 222 HZ2 TRP 32 2HZ TRP 32 -0.470 3.996 2.353 223 HZ3 TRP 32 3HZ TRP 32 3.014 1.786 1.139 224 HH2 TRP 32 HH TRP 32 1.959 3.925 1.846 225 H TYR 33 H TYR 33 0.120 -2.859 -1.435 226 HA TYR 33 HA TYR 33 0.026 -5.811 -1.045 227 HB2 TYR 33 1HB TYR 33 0.144 -4.320 -3.685 228 HB3 TYR 33 2HB TYR 33 0.619 -5.993 -3.517 229 HD1 TYR 33 2HD TYR 33 -2.318 -3.687 -3.099 230 HD2 TYR 33 1HD TYR 33 -0.940 -7.722 -3.757 231 HE1 TYR 33 2HE TYR 33 -4.656 -4.415 -3.529 232 HE2 TYR 33 1HE TYR 33 -3.271 -8.448 -4.202 233 HH TYR 33 HH TYR 33 -5.475 -7.802 -4.379 234 H TYR 34 H TYR 34 1.996 -6.894 -1.445 235 HA TYR 34 HA TYR 34 4.450 -5.245 -1.810 236 HB2 TYR 34 1HB TYR 34 5.570 -6.352 -0.023 237 HB3 TYR 34 2HB TYR 34 4.120 -5.611 0.616 238 HD1 TYR 34 2HD TYR 34 2.137 -7.061 1.245 239 HD2 TYR 34 1HD TYR 34 5.945 -8.730 0.100 240 HE1 TYR 34 2HE TYR 34 1.487 -9.234 2.261 241 HE2 TYR 34 1HE TYR 34 5.304 -10.903 1.116 242 HH TYR 34 HH TYR 34 3.677 -12.084 2.238 243 H GLU 35 H GLU 35 6.195 -6.250 -2.675 244 HA GLU 35 HA GLU 35 5.556 -8.437 -4.505 245 HB2 GLU 35 1HB GLU 35 7.168 -6.119 -4.539 246 HB3 GLU 35 2HB GLU 35 8.327 -7.431 -4.573 247 HG2 GLU 35 1HG GLU 35 5.905 -7.232 -6.403 248 HG3 GLU 35 2HG GLU 35 7.467 -6.519 -6.793 249 H GLY 36 H GLY 36 5.480 -10.366 -3.559 250 HA2 GLY 36 1HA GLY 36 7.318 -11.169 -1.388 251 HA3 GLY 36 2HA GLY 36 5.919 -12.056 -2.015 252 H ARG 37 H ARG 37 6.926 -13.998 -2.234 253 HA ARG 37 HA ARG 37 9.412 -14.276 -3.801 254 HB2 ARG 37 1HB ARG 37 7.656 -16.392 -2.499 255 HB3 ARG 37 2HB ARG 37 9.297 -16.618 -3.115 256 HG2 ARG 37 1HG ARG 37 8.440 -14.961 -0.709 257 HG3 ARG 37 2HG ARG 37 9.352 -16.471 -0.705 258 HD2 ARG 37 1HD ARG 37 11.238 -15.325 -1.872 259 HD3 ARG 37 2HD ARG 37 10.317 -13.808 -1.829 260 HE ARG 37 HE ARG 37 10.739 -15.111 0.774 261 HH11 ARG 37 1HH1 ARG 37 12.060 -12.600 -1.435 262 HH12 ARG 37 2HH1 ARG 37 12.938 -11.896 -0.061 263 HH21 ARG 37 1HH2 ARG 37 12.025 -14.059 2.324 264 HH22 ARG 37 2HH2 ARG 37 12.930 -12.631 1.803 265 H ASN 38 H ASN 38 6.014 -14.676 -4.352 266 HA ASN 38 HA ASN 38 6.507 -15.870 -7.058 267 HB2 ASN 38 1HB ASN 38 4.284 -16.424 -5.065 268 HB3 ASN 38 2HB ASN 38 4.276 -16.995 -6.731 269 HD21 ASN 38 2HD2 ASN 38 4.994 -18.003 -3.637 270 HD22 ASN 38 1HD2 ASN 38 6.173 -19.237 -4.042 271 H GLY 39 H GLY 39 5.331 -13.062 -5.596 272 HA2 GLY 39 1HA GLY 39 4.801 -11.542 -7.756 273 HA3 GLY 39 2HA GLY 39 3.274 -12.395 -7.594 274 H TRP 40 H TRP 40 2.609 -10.039 -7.350 275 HA TRP 40 HA TRP 40 2.978 -8.706 -4.828 276 HB2 TRP 40 1HB TRP 40 0.751 -8.485 -6.882 277 HB3 TRP 40 2HB TRP 40 1.011 -7.386 -5.537 278 HD1 TRP 40 HD TRP 40 2.149 -8.119 -9.027 279 HE1 TRP 40 1HE TRP 40 3.828 -6.370 -9.828 280 HE3 TRP 40 3HE TRP 40 3.024 -5.743 -4.571 281 HZ2 TRP 40 2HZ TRP 40 5.277 -4.125 -8.711 282 HZ3 TRP 40 3HZ TRP 40 4.554 -3.796 -4.479 283 HH2 TRP 40 HH TRP 40 5.665 -2.959 -6.540 284 H TRP 41 H TRP 41 2.103 -9.141 -2.904 285 HA TRP 41 HA TRP 41 -0.438 -10.704 -2.709 286 HB2 TRP 41 1HB TRP 41 1.997 -10.878 -0.894 287 HB3 TRP 41 2HB TRP 41 0.469 -11.739 -0.675 288 HD1 TRP 41 HD TRP 41 3.755 -12.504 -1.779 289 HE1 TRP 41 1HE TRP 41 3.869 -14.391 -3.511 290 HE3 TRP 41 3HE TRP 41 -1.202 -12.764 -3.033 291 HZ2 TRP 41 2HZ TRP 41 2.090 -15.633 -5.423 292 HZ3 TRP 41 3HZ TRP 41 -1.965 -14.280 -4.801 293 HH2 TRP 41 HH TRP 41 -0.334 -15.725 -6.033 294 H GLN 42 H GLN 42 -1.925 -10.085 -1.194 295 HA GLN 42 HA GLN 42 -1.840 -7.237 -0.584 296 HB2 GLN 42 1HB GLN 42 -3.837 -8.613 -1.462 297 HB3 GLN 42 2HB GLN 42 -4.015 -9.209 0.192 298 HG2 GLN 42 1HG GLN 42 -4.211 -6.793 0.950 299 HG3 GLN 42 2HG GLN 42 -4.137 -6.304 -0.741 300 HE21 GLN 42 2HE2 GLN 42 -6.037 -6.743 -2.124 301 HE22 GLN 42 1HE2 GLN 42 -7.553 -7.210 -1.371 302 H TYR 43 H TYR 43 -1.697 -6.228 1.379 303 HA TYR 43 HA TYR 43 -0.672 -7.613 3.726 304 HB2 TYR 43 1HB TYR 43 -1.572 -4.808 3.061 305 HB3 TYR 43 2HB TYR 43 -1.239 -5.259 4.727 306 HD1 TYR 43 2HD TYR 43 1.038 -5.976 5.443 307 HD2 TYR 43 1HD TYR 43 0.239 -4.385 1.530 308 HE1 TYR 43 2HE TYR 43 3.438 -5.410 5.183 309 HE2 TYR 43 1HE TYR 43 2.636 -3.787 1.262 310 HH TYR 43 HH TYR 43 5.065 -4.594 3.753 311 H ASP 44 H ASP 44 -1.642 -7.605 5.823 312 HA ASP 44 HA ASP 44 -4.430 -8.399 5.971 313 HB2 ASP 44 1HB ASP 44 -2.686 -9.360 7.395 314 HB3 ASP 44 2HB ASP 44 -2.351 -7.777 8.105 315 H GLU 45 H GLU 45 -6.069 -7.331 7.343 316 HA GLU 45 HA GLU 45 -6.408 -4.571 6.558 317 HB2 GLU 45 1HB GLU 45 -8.547 -4.794 7.853 318 HB3 GLU 45 2HB GLU 45 -8.329 -5.958 6.547 319 HG2 GLU 45 1HG GLU 45 -7.823 -7.747 8.089 320 HG3 GLU 45 2HG GLU 45 -7.687 -6.630 9.442 321 H ARG 46 H ARG 46 -5.083 -6.062 9.438 322 HA ARG 46 HA ARG 46 -5.339 -3.543 10.989 323 HB2 ARG 46 1HB ARG 46 -3.931 -6.066 11.866 324 HB3 ARG 46 2HB ARG 46 -4.571 -4.762 12.856 325 HG2 ARG 46 1HG ARG 46 -6.117 -6.953 11.443 326 HG3 ARG 46 2HG ARG 46 -6.049 -6.587 13.161 327 HD2 ARG 46 1HD ARG 46 -7.307 -4.446 12.706 328 HD3 ARG 46 2HD ARG 46 -7.373 -4.901 10.994 329 HE ARG 46 HE ARG 46 -9.074 -6.332 11.366 330 HH11 ARG 46 1HH1 ARG 46 -7.748 -5.662 14.592 331 HH12 ARG 46 2HH1 ARG 46 -9.068 -6.481 15.374 332 HH21 ARG 46 1HH2 ARG 46 -10.660 -7.334 12.388 333 HH22 ARG 46 2HH2 ARG 46 -10.719 -7.438 14.130 334 H THR 47 H THR 47 -3.112 -5.029 8.856 335 HA THR 47 HA THR 47 -0.791 -3.479 9.859 336 HB THR 47 HB THR 47 -0.934 -5.503 7.592 337 HG1 THR 47 1HG THR 47 0.095 -6.799 9.198 338 HG21 THR 47 3HG2 THR 47 1.562 -5.507 7.916 339 HG22 THR 47 1HG2 THR 47 0.955 -3.948 7.325 340 HG23 THR 47 2HG2 THR 47 1.383 -4.130 9.034 341 H SER 48 H SER 48 -2.627 -3.895 6.783 342 HA SER 48 HA SER 48 -1.336 -1.798 5.364 343 HB2 SER 48 1HB SER 48 -3.292 -1.813 3.884 344 HB3 SER 48 2HB SER 48 -2.693 -3.437 4.216 345 HG SER 48 HG SER 48 -4.419 -3.846 5.520 346 H ARG 49 H ARG 49 -3.990 -1.591 7.704 347 HA ARG 49 HA ARG 49 -4.723 1.088 7.117 348 HB2 ARG 49 1HB ARG 49 -5.965 1.088 9.081 349 HB3 ARG 49 2HB ARG 49 -5.999 -0.558 8.486 350 HG2 ARG 49 1HG ARG 49 -5.678 -0.878 10.751 351 HG3 ARG 49 2HG ARG 49 -4.065 -1.048 10.103 352 HD2 ARG 49 1HD ARG 49 -4.248 0.213 12.292 353 HD3 ARG 49 2HD ARG 49 -3.366 1.030 11.026 354 HE ARG 49 HE ARG 49 -6.223 1.725 11.319 355 HH11 ARG 49 1HH1 ARG 49 -2.901 2.717 12.150 356 HH12 ARG 49 2HH1 ARG 49 -3.333 4.422 12.067 357 HH21 ARG 49 1HH2 ARG 49 -6.674 3.944 11.401 358 HH22 ARG 49 2HH2 ARG 49 -5.396 5.060 11.801 359 H GLU 50 H GLU 50 -1.891 -0.166 8.815 360 HA GLU 50 HA GLU 50 -1.277 2.351 10.183 361 HB2 GLU 50 1HB GLU 50 0.546 0.012 9.479 362 HB3 GLU 50 2HB GLU 50 0.946 1.325 10.570 363 HG2 GLU 50 1HG GLU 50 -1.400 -0.556 11.083 364 HG3 GLU 50 2HG GLU 50 0.241 -0.896 11.608 365 H LEU 51 H LEU 51 -0.408 0.785 7.148 366 HA LEU 51 HA LEU 51 1.506 2.716 6.194 367 HB2 LEU 51 1HB LEU 51 -0.232 0.807 4.578 368 HB3 LEU 51 2HB LEU 51 1.333 1.471 4.137 369 HG LEU 51 HG LEU 51 0.850 -0.559 6.371 370 HD11 LEU 51 1HD1 LEU 51 0.471 -1.456 4.102 371 HD12 LEU 51 2HD1 LEU 51 2.109 -0.945 3.636 372 HD13 LEU 51 3HD1 LEU 51 1.876 -2.171 4.905 373 HD21 LEU 51 3HD2 LEU 51 3.340 -0.756 6.334 374 HD22 LEU 51 1HD2 LEU 51 3.399 0.652 5.247 375 HD23 LEU 51 2HD2 LEU 51 2.778 0.817 6.906 376 H GLU 52 H GLU 52 -1.962 2.178 5.571 377 HA GLU 52 HA GLU 52 -2.457 4.356 3.855 378 HB2 GLU 52 1HB GLU 52 -3.937 2.346 4.393 379 HB3 GLU 52 2HB GLU 52 -4.339 3.133 5.911 380 HG2 GLU 52 1HG GLU 52 -6.123 3.525 4.383 381 HG3 GLU 52 2HG GLU 52 -5.309 5.056 4.643 382 H ASP 53 H ASP 53 -2.251 4.293 7.414 383 HA ASP 53 HA ASP 53 -3.451 6.927 7.785 384 HB2 ASP 53 1HB ASP 53 -3.486 4.913 9.342 385 HB3 ASP 53 2HB ASP 53 -1.810 5.248 9.728 386 H ALA 54 H ALA 54 -0.235 5.545 7.643 387 HA ALA 54 HA ALA 54 1.277 7.681 8.701 388 HB1 ALA 54 1HB ALA 54 2.160 5.493 8.534 389 HB2 ALA 54 2HB ALA 54 1.952 5.445 6.775 390 HB3 ALA 54 3HB ALA 54 3.176 6.525 7.495 391 H PHE 55 H PHE 55 0.666 7.101 5.161 392 HA PHE 55 HA PHE 55 2.015 9.556 4.438 393 HB2 PHE 55 1HB PHE 55 1.493 9.112 2.267 394 HB3 PHE 55 2HB PHE 55 1.501 7.497 2.932 395 HD1 PHE 55 1HD PHE 55 -0.567 10.185 1.508 396 HD2 PHE 55 2HD PHE 55 -0.606 6.215 3.173 397 HE1 PHE 55 1HE PHE 55 -2.807 9.790 0.506 398 HE2 PHE 55 2HE PHE 55 -2.826 5.810 2.138 399 HZ PHE 55 HZ PHE 55 -3.935 7.593 0.815 400 H SER 56 H SER 56 -1.094 8.868 5.654 401 HA SER 56 HA SER 56 -2.391 11.386 4.847 402 HB2 SER 56 1HB SER 56 -3.486 9.088 5.247 403 HB3 SER 56 2HB SER 56 -3.337 9.442 6.965 404 HG SER 56 HG SER 56 -5.371 10.124 6.103 405 H LYS 57 H LYS 57 -0.656 10.166 7.713 406 HA LYS 57 HA LYS 57 -1.168 12.464 9.429 407 HB2 LYS 57 1HB LYS 57 0.853 10.199 9.388 408 HB3 LYS 57 2HB LYS 57 0.906 11.474 10.604 409 HG2 LYS 57 1HG LYS 57 -1.058 10.799 11.656 410 HG3 LYS 57 2HG LYS 57 -1.684 9.973 10.228 411 HD2 LYS 57 1HD LYS 57 -0.952 8.343 11.944 412 HD3 LYS 57 2HD LYS 57 -0.080 8.193 10.433 413 HE2 LYS 57 1HE LYS 57 1.687 8.019 11.882 414 HE3 LYS 57 2HE LYS 57 1.728 9.741 11.560 415 HZ1 LYS 57 3HZ LYS 57 1.853 9.332 13.945 416 HZ2 LYS 57 1HZ LYS 57 0.457 10.110 13.618 417 HZ3 LYS 57 2HZ LYS 57 0.444 8.508 13.938 418 H GLY 58 H GLY 58 1.507 11.492 7.265 419 HA2 GLY 58 1HA GLY 58 2.454 13.387 5.907 420 HA3 GLY 58 2HA GLY 58 2.688 14.255 7.440 421 H LYS 59 H LYS 59 3.373 11.104 8.272 422 HA LYS 59 HA LYS 59 6.225 11.527 8.107 423 HB2 LYS 59 1HB LYS 59 6.346 9.123 8.909 424 HB3 LYS 59 2HB LYS 59 5.570 10.281 9.970 425 HG2 LYS 59 1HG LYS 59 3.384 9.464 9.506 426 HG3 LYS 59 2HG LYS 59 3.953 8.582 8.082 427 HD2 LYS 59 1HD LYS 59 3.472 7.081 9.980 428 HD3 LYS 59 2HD LYS 59 5.137 6.991 9.444 429 HE2 LYS 59 1HE LYS 59 5.833 8.460 11.335 430 HE3 LYS 59 2HE LYS 59 4.161 8.505 11.902 431 HZ1 LYS 59 3HZ LYS 59 5.418 6.804 13.073 432 HZ2 LYS 59 1HZ LYS 59 4.296 6.050 12.148 433 HZ3 LYS 59 2HZ LYS 59 5.857 6.073 11.679 434 H LYS 60 H LYS 60 7.743 10.283 7.067 435 HA LYS 60 HA LYS 60 6.988 9.629 4.259 436 HB2 LYS 60 1HB LYS 60 9.082 10.379 3.611 437 HB3 LYS 60 2HB LYS 60 8.563 11.521 4.839 438 HG2 LYS 60 1HG LYS 60 10.041 10.263 6.482 439 HG3 LYS 60 2HG LYS 60 10.637 9.315 5.103 440 HD2 LYS 60 1HD LYS 60 11.296 11.502 3.992 441 HD3 LYS 60 2HD LYS 60 10.818 12.335 5.466 442 HE2 LYS 60 1HE LYS 60 13.204 12.078 5.462 443 HE3 LYS 60 2HE LYS 60 12.540 11.073 6.752 444 HZ1 LYS 60 3HZ LYS 60 14.293 10.008 5.309 445 HZ2 LYS 60 1HZ LYS 60 12.914 9.137 5.408 446 HZ3 LYS 60 2HZ LYS 60 13.223 9.999 4.061 447 H ASN 61 H ASN 61 7.409 7.907 6.970 448 HA ASN 61 HA ASN 61 7.572 5.420 5.683 449 HB2 ASN 61 1HB ASN 61 9.650 4.489 6.533 450 HB3 ASN 61 2HB ASN 61 10.014 5.837 5.472 451 HD21 ASN 61 2HD2 ASN 61 10.333 7.964 6.598 452 HD22 ASN 61 1HD2 ASN 61 11.219 7.962 8.116 453 H THR 62 H THR 62 7.026 3.769 7.083 454 HA THR 62 HA THR 62 6.711 4.379 9.990 455 HB THR 62 HB THR 62 4.610 4.967 8.702 456 HG1 THR 62 1HG THR 62 3.392 3.926 10.418 457 HG21 THR 62 3HG2 THR 62 3.043 3.151 8.224 458 HG22 THR 62 1HG2 THR 62 4.496 2.952 7.233 459 HG23 THR 62 2HG2 THR 62 4.248 1.929 8.666 460 H GLU 63 H GLU 63 5.703 2.296 11.082 461 HA GLU 63 HA GLU 63 7.536 0.037 10.367 462 HB2 GLU 63 1HB GLU 63 6.975 1.388 13.038 463 HB3 GLU 63 2HB GLU 63 7.722 -0.204 12.896 464 HG2 GLU 63 1HG GLU 63 9.554 0.722 11.564 465 HG3 GLU 63 2HG GLU 63 8.830 2.329 11.620 466 H MET 64 H MET 64 6.894 -1.994 10.802 467 HA MET 64 HA MET 64 4.253 -2.604 11.964 468 HB2 MET 64 1HB MET 64 3.585 -3.835 9.864 469 HB3 MET 64 2HB MET 64 3.560 -2.081 9.750 470 HG2 MET 64 1HG MET 64 5.682 -2.063 8.551 471 HG3 MET 64 2HG MET 64 5.901 -3.788 8.828 472 HE1 MET 64 3HE MET 64 5.729 -3.472 5.079 473 HE2 MET 64 1HE MET 64 6.709 -3.191 6.514 474 HE3 MET 64 2HE MET 64 6.062 -4.827 6.193 475 H LEU 65 H LEU 65 3.940 -4.682 12.526 476 HA LEU 65 HA LEU 65 6.309 -6.466 12.595 477 HB2 LEU 65 1HB LEU 65 4.655 -5.546 14.647 478 HB3 LEU 65 2HB LEU 65 3.910 -7.076 14.270 479 HG LEU 65 HG LEU 65 5.443 -7.300 16.091 480 HD11 LEU 65 1HD1 LEU 65 5.324 -9.239 14.567 481 HD12 LEU 65 2HD1 LEU 65 6.782 -8.646 13.732 482 HD13 LEU 65 3HD1 LEU 65 6.867 -9.121 15.431 483 HD21 LEU 65 3HD2 LEU 65 7.808 -6.793 15.978 484 HD22 LEU 65 1HD2 LEU 65 7.678 -6.359 14.261 485 HD23 LEU 65 2HD2 LEU 65 6.867 -5.363 15.490 486 H ILE 66 H ILE 66 6.196 -8.502 11.922 487 HA ILE 66 HA ILE 66 3.748 -9.459 10.448 488 HB ILE 66 HB ILE 66 5.070 -10.312 8.698 489 HG12 ILE 66 1HG1 ILE 66 7.614 -8.973 9.160 490 HG13 ILE 66 2HG1 ILE 66 7.297 -10.042 10.506 491 HG21 ILE 66 1HG2 ILE 66 4.207 -7.979 8.619 492 HG22 ILE 66 2HG2 ILE 66 5.809 -7.392 9.111 493 HG23 ILE 66 3HG2 ILE 66 5.604 -8.281 7.588 494 HD11 ILE 66 3HD1 ILE 66 8.544 -11.017 8.469 495 HD12 ILE 66 1HD1 ILE 66 7.236 -11.981 9.168 496 HD13 ILE 66 2HD1 ILE 66 6.957 -11.055 7.686 497 H ALA 67 H ALA 67 5.082 -11.975 9.701 498 HA ALA 67 HA ALA 67 4.252 -13.649 11.790 499 HB1 ALA 67 1HB ALA 67 4.499 -14.256 9.379 500 HB2 ALA 67 2HB ALA 67 6.274 -14.162 9.554 501 HB3 ALA 67 3HB ALA 67 5.356 -15.399 10.434 502 H GLY 68 H GLY 68 7.293 -11.973 11.601 503 HA2 GLY 68 1HA GLY 68 8.135 -12.813 14.193 504 HA3 GLY 68 2HA GLY 68 9.004 -13.758 13.004 505 H PHE 69 H PHE 69 8.247 -10.431 12.117 506 HA PHE 69 HA PHE 69 10.959 -9.462 12.786 507 HB2 PHE 69 1HB PHE 69 9.923 -9.771 9.933 508 HB3 PHE 69 2HB PHE 69 11.348 -8.871 10.382 509 HD1 PHE 69 2HD PHE 69 13.372 -10.026 11.287 510 HD2 PHE 69 1HD PHE 69 10.007 -12.216 9.697 511 HE1 PHE 69 2HE PHE 69 14.820 -12.017 10.950 512 HE2 PHE 69 1HE PHE 69 11.462 -14.191 9.351 513 HZ PHE 69 HZ PHE 69 13.867 -14.097 9.972 514 H LEU 70 H LEU 70 11.230 -7.241 12.557 515 HA LEU 70 HA LEU 70 8.779 -5.577 12.226 516 HB2 LEU 70 1HB LEU 70 10.417 -5.331 14.227 517 HB3 LEU 70 2HB LEU 70 11.565 -4.716 13.050 518 HG LEU 70 HG LEU 70 10.642 -2.878 14.188 519 HD11 LEU 70 1HD1 LEU 70 10.828 -2.616 11.653 520 HD12 LEU 70 2HD1 LEU 70 9.051 -2.769 11.623 521 HD13 LEU 70 3HD1 LEU 70 9.813 -1.455 12.515 522 HD21 LEU 70 3HD2 LEU 70 8.231 -2.337 14.276 523 HD22 LEU 70 1HD2 LEU 70 7.859 -3.907 13.532 524 HD23 LEU 70 2HD2 LEU 70 8.638 -3.835 15.130 525 H TYR 71 H TYR 71 8.453 -4.743 10.327 526 HA TYR 71 HA TYR 71 10.705 -4.259 8.407 527 HB2 TYR 71 1HB TYR 71 7.801 -4.880 7.846 528 HB3 TYR 71 2HB TYR 71 8.924 -4.290 6.628 529 HD1 TYR 71 2HD TYR 71 11.396 -5.917 7.221 530 HD2 TYR 71 1HD TYR 71 7.232 -7.007 7.002 531 HE1 TYR 71 2HE TYR 71 12.024 -8.258 6.684 532 HE2 TYR 71 1HE TYR 71 7.848 -9.336 6.617 533 HH TYR 71 HH TYR 71 11.283 -10.379 6.257 534 H VAL 72 H VAL 72 11.124 -2.284 7.865 535 HA VAL 72 HA VAL 72 9.412 -0.019 8.705 536 HB VAL 72 HB VAL 72 12.083 0.077 7.260 537 HG11 VAL 72 1HG1 VAL 72 10.730 2.158 7.110 538 HG12 VAL 72 2HG1 VAL 72 10.570 2.176 8.882 539 HG13 VAL 72 3HG1 VAL 72 12.160 2.396 8.126 540 HG21 VAL 72 3HG2 VAL 72 13.092 0.606 9.469 541 HG22 VAL 72 1HG2 VAL 72 11.556 0.169 10.251 542 HG23 VAL 72 2HG2 VAL 72 12.496 -1.052 9.359 543 H ALA 73 H ALA 73 7.888 0.596 7.307 544 HA ALA 73 HA ALA 73 8.019 -0.083 4.410 545 HB1 ALA 73 1HB ALA 73 5.935 -0.611 5.596 546 HB2 ALA 73 2HB ALA 73 5.798 1.077 6.140 547 HB3 ALA 73 3HB ALA 73 5.681 0.687 4.409 548 H ASP 74 H ASP 74 9.134 1.302 3.257 549 HA ASP 74 HA ASP 74 9.538 4.117 3.996 550 HB2 ASP 74 1HB ASP 74 11.351 2.596 3.198 551 HB3 ASP 74 2HB ASP 74 10.539 2.491 1.640 552 H LEU 75 H LEU 75 7.959 5.486 3.511 553 HA LEU 75 HA LEU 75 6.053 4.981 1.340 554 HB2 LEU 75 1HB LEU 75 6.216 6.867 3.699 555 HB3 LEU 75 2HB LEU 75 5.155 7.240 2.363 556 HG LEU 75 HG LEU 75 3.911 5.198 2.673 557 HD11 LEU 75 1HD1 LEU 75 5.551 3.632 3.592 558 HD12 LEU 75 2HD1 LEU 75 5.592 4.575 5.107 559 HD13 LEU 75 3HD1 LEU 75 4.107 3.748 4.602 560 HD21 LEU 75 3HD2 LEU 75 2.747 5.906 4.657 561 HD22 LEU 75 1HD2 LEU 75 4.230 6.612 5.352 562 HD23 LEU 75 2HD2 LEU 75 3.456 7.367 3.961 563 H GLU 76 H GLU 76 9.053 6.576 1.497 564 HA GLU 76 HA GLU 76 8.452 8.714 -0.437 565 HB2 GLU 76 1HB GLU 76 11.119 7.523 0.437 566 HB3 GLU 76 2HB GLU 76 10.883 8.909 -0.602 567 HG2 GLU 76 1HG GLU 76 9.641 9.940 1.422 568 HG3 GLU 76 2HG GLU 76 10.307 8.608 2.361 569 H ASN 77 H ASN 77 10.176 5.609 -0.442 570 HA ASN 77 HA ASN 77 10.493 5.605 -3.387 571 HB2 ASN 77 1HB ASN 77 11.637 3.870 -1.152 572 HB3 ASN 77 2HB ASN 77 12.080 3.754 -2.853 573 HD21 ASN 77 2HD2 ASN 77 12.254 5.897 0.044 574 HD22 ASN 77 1HD2 ASN 77 13.664 6.763 -0.553 575 H MET 78 H MET 78 8.349 4.386 -1.128 576 HA MET 78 HA MET 78 6.849 2.654 -0.937 577 HB2 MET 78 1HB MET 78 6.926 2.722 -3.959 578 HB3 MET 78 2HB MET 78 5.733 1.855 -2.980 579 HG2 MET 78 1HG MET 78 6.028 4.804 -2.490 580 HG3 MET 78 2HG MET 78 5.350 4.284 -4.018 581 HE1 MET 78 3HE MET 78 3.321 4.085 0.058 582 HE2 MET 78 1HE MET 78 4.918 3.338 -0.131 583 HE3 MET 78 2HE MET 78 4.697 5.083 -0.439 584 H VAL 79 H VAL 79 8.831 1.652 -0.013 585 HA VAL 79 HA VAL 79 9.025 -1.112 -1.052 586 HB VAL 79 HB VAL 79 11.458 -1.311 -0.537 587 HG11 VAL 79 1HG1 VAL 79 10.777 -1.041 -2.871 588 HG12 VAL 79 2HG1 VAL 79 10.914 0.728 -2.720 589 HG13 VAL 79 3HG1 VAL 79 12.351 -0.304 -2.548 590 HG21 VAL 79 3HG2 VAL 79 12.886 0.656 -0.365 591 HG22 VAL 79 1HG2 VAL 79 11.470 1.717 -0.349 592 HG23 VAL 79 2HG2 VAL 79 11.758 0.564 0.983 593 H GLN 80 H GLN 80 9.973 -2.598 0.633 594 HA GLN 80 HA GLN 80 9.684 -1.616 3.432 595 HB2 GLN 80 1HB GLN 80 8.910 -3.862 4.061 596 HB3 GLN 80 2HB GLN 80 7.774 -3.064 2.973 597 HG2 GLN 80 1HG GLN 80 8.414 -4.438 1.115 598 HG3 GLN 80 2HG GLN 80 9.861 -5.028 1.928 599 HE21 GLN 80 2HE2 GLN 80 9.553 -6.469 3.892 600 HE22 GLN 80 1HE2 GLN 80 8.178 -7.557 3.762 601 H TYR 81 H TYR 81 11.247 -2.307 4.877 602 HA TYR 81 HA TYR 81 13.157 -4.405 4.189 603 HB2 TYR 81 1HB TYR 81 15.141 -2.883 4.626 604 HB3 TYR 81 2HB TYR 81 14.350 -2.785 3.074 605 HD1 TYR 81 2HD TYR 81 14.465 -1.029 6.412 606 HD2 TYR 81 1HD TYR 81 13.699 -0.747 2.179 607 HE1 TYR 81 2HE TYR 81 14.295 1.440 6.604 608 HE2 TYR 81 1HE TYR 81 13.555 1.707 2.347 609 HH TYR 81 HH TYR 81 13.530 3.546 3.798 610 H ARG 82 H ARG 82 14.404 -5.177 5.963 611 HA ARG 82 HA ARG 82 13.120 -4.932 8.541 612 HB2 ARG 82 1HB ARG 82 13.751 -7.028 7.575 613 HB3 ARG 82 2HB ARG 82 15.394 -6.473 7.259 614 HG2 ARG 82 1HG ARG 82 15.972 -6.559 9.583 615 HG3 ARG 82 2HG ARG 82 14.282 -6.810 10.065 616 HD2 ARG 82 1HD ARG 82 15.742 -8.844 10.035 617 HD3 ARG 82 2HD ARG 82 14.221 -8.988 9.127 618 HE ARG 82 HE ARG 82 16.755 -8.297 7.729 619 HH11 ARG 82 1HH1 ARG 82 14.328 -10.896 8.287 620 HH12 ARG 82 2HH1 ARG 82 14.876 -11.710 6.818 621 HH21 ARG 82 1HH2 ARG 82 17.232 -9.507 5.870 622 HH22 ARG 82 2HH2 ARG 82 16.328 -10.995 5.573 623 H ARG 83 H ARG 83 13.982 -4.016 10.425 624 HA ARG 83 HA ARG 83 15.616 -1.738 10.156 625 HB2 ARG 83 1HB ARG 83 14.806 -3.340 12.607 626 HB3 ARG 83 2HB ARG 83 15.810 -1.891 12.717 627 HG2 ARG 83 1HG ARG 83 14.054 -0.584 11.496 628 HG3 ARG 83 2HG ARG 83 13.032 -2.025 11.493 629 HD2 ARG 83 1HD ARG 83 12.350 -0.516 13.252 630 HD3 ARG 83 2HD ARG 83 12.974 -2.007 13.965 631 HE ARG 83 HE ARG 83 15.192 -0.595 14.117 632 HH11 ARG 83 1HH1 ARG 83 11.954 0.774 14.778 633 HH12 ARG 83 2HH1 ARG 83 12.613 1.853 15.969 634 HH21 ARG 83 1HH2 ARG 83 15.913 0.866 15.616 635 HH22 ARG 83 2HH2 ARG 83 14.794 1.927 16.413 636 H ASN 84 H ASN 84 16.799 -5.002 10.503 637 HA ASN 84 HA ASN 84 19.406 -4.276 11.521 638 HB2 ASN 84 1HB ASN 84 18.290 -6.494 11.810 639 HB3 ASN 84 2HB ASN 84 18.538 -6.816 10.098 640 HD21 ASN 84 2HD2 ASN 84 20.604 -7.595 9.436 641 HD22 ASN 84 1HD2 ASN 84 21.920 -7.810 10.584 642 H GLU 85 H GLU 85 18.054 -4.173 8.256 643 HA GLU 85 HA GLU 85 20.528 -3.014 7.294 644 HB2 GLU 85 1HB GLU 85 20.799 -4.496 5.352 645 HB3 GLU 85 2HB GLU 85 21.237 -5.236 6.876 646 HG2 GLU 85 1HG GLU 85 18.528 -5.709 5.566 647 HG3 GLU 85 2HG GLU 85 19.953 -6.650 5.156 648 H HIS 86 H HIS 86 20.145 -1.437 5.937 649 HA HIS 86 HA HIS 86 17.379 -0.847 5.168 650 HB2 HIS 86 1HB HIS 86 18.696 0.817 6.278 651 HB3 HIS 86 2HB HIS 86 20.038 0.622 5.153 652 HD2 HIS 86 2HD HIS 86 19.919 1.766 2.806 653 HE1 HIS 86 1HE HIS 86 16.394 4.069 3.474 654 HE2 HIS 86 2HE HIS 86 18.378 3.722 1.908 655 H GLY 87 H GLY 87 20.266 -1.961 3.533 656 HA2 GLY 87 1HA GLY 87 19.602 -0.976 0.874 657 HA3 GLY 87 2HA GLY 87 20.884 -2.139 1.291 658 H ARG 88 H ARG 88 19.506 -4.216 2.387 659 HA ARG 88 HA ARG 88 18.225 -5.561 0.177 660 HB2 ARG 88 1HB ARG 88 19.534 -6.728 1.925 661 HB3 ARG 88 2HB ARG 88 18.379 -6.212 3.150 662 HG2 ARG 88 1HG ARG 88 17.961 -8.507 2.622 663 HG3 ARG 88 2HG ARG 88 16.601 -7.556 2.028 664 HD2 ARG 88 1HD ARG 88 17.578 -7.657 -0.277 665 HD3 ARG 88 2HD ARG 88 18.906 -8.656 0.359 666 HE ARG 88 HE ARG 88 16.555 -9.933 1.175 667 HH11 ARG 88 1HH1 ARG 88 18.164 -9.311 -1.929 668 HH12 ARG 88 2HH1 ARG 88 17.302 -10.595 -2.721 669 HH21 ARG 88 1HH2 ARG 88 15.349 -11.362 0.075 670 HH22 ARG 88 2HH2 ARG 88 15.773 -11.829 -1.568 671 H ARG 89 H ARG 89 16.241 -5.100 -0.526 672 HA ARG 89 HA ARG 89 14.001 -4.488 1.289 673 HB2 ARG 89 1HB ARG 89 13.502 -2.348 0.309 674 HB3 ARG 89 2HB ARG 89 15.132 -2.331 0.945 675 HG2 ARG 89 1HG ARG 89 15.829 -2.900 -1.545 676 HG3 ARG 89 2HG ARG 89 14.199 -2.301 -1.917 677 HD2 ARG 89 1HD ARG 89 14.758 -0.181 -0.726 678 HD3 ARG 89 2HD ARG 89 16.379 -0.764 -0.437 679 HE ARG 89 HE ARG 89 15.262 0.286 -2.918 680 HH11 ARG 89 1HH2 ARG 89 17.914 -1.760 -1.711 681 HH12 ARG 89 2HH2 ARG 89 18.885 -1.438 -3.117 682 HH21 ARG 89 1HH1 ARG 89 16.575 0.621 -4.684 683 HH22 ARG 89 2HH1 ARG 89 18.141 -0.127 -4.768 684 H ARG 90 H ARG 90 11.945 -4.441 0.279 685 HA ARG 90 HA ARG 90 11.726 -5.687 -2.441 686 HB2 ARG 90 1HB ARG 90 10.171 -6.473 0.061 687 HB3 ARG 90 2HB ARG 90 9.783 -7.011 -1.564 688 HG2 ARG 90 1HG ARG 90 12.375 -7.621 -0.076 689 HG3 ARG 90 2HG ARG 90 11.008 -8.712 -0.239 690 HD2 ARG 90 1HD ARG 90 12.685 -7.664 -2.554 691 HD3 ARG 90 2HD ARG 90 12.859 -9.242 -1.793 692 HE ARG 90 HE ARG 90 10.340 -9.517 -2.441 693 HH11 ARG 90 1HH1 ARG 90 12.572 -7.720 -4.542 694 HH12 ARG 90 2HH1 ARG 90 11.669 -8.165 -5.964 695 HH21 ARG 90 1HH2 ARG 90 9.405 -10.193 -4.310 696 HH22 ARG 90 2HH2 ARG 90 9.788 -9.386 -5.809 697 H LYS 91 H LYS 91 9.995 -5.024 -3.664 698 HA LYS 91 HA LYS 91 9.075 -2.348 -3.242 699 HB2 LYS 91 1HB LYS 91 8.778 -4.548 -5.252 700 HB3 LYS 91 2HB LYS 91 7.474 -3.401 -5.242 701 HG2 LYS 91 1HG LYS 91 10.421 -2.721 -5.606 702 HG3 LYS 91 2HG LYS 91 9.233 -2.886 -6.898 703 HD2 LYS 91 1HD LYS 91 9.288 -0.749 -4.742 704 HD3 LYS 91 2HD LYS 91 9.611 -0.542 -6.459 705 HE2 LYS 91 1HE LYS 91 7.297 -0.990 -7.042 706 HE3 LYS 91 2HE LYS 91 6.917 -1.472 -5.381 707 HZ1 LYS 91 3HZ LYS 91 6.192 0.743 -5.703 708 HZ2 LYS 91 1HZ LYS 91 7.449 0.760 -4.656 709 HZ3 LYS 91 2HZ LYS 91 7.673 1.256 -6.212 710 H ILE 92 H ILE 92 7.093 -1.429 -2.776 711 HA ILE 92 HA ILE 92 4.773 -3.214 -2.233 712 HB ILE 92 HB ILE 92 4.039 -1.983 -0.332 713 HG12 ILE 92 1HG1 ILE 92 6.485 -0.258 -0.678 714 HG13 ILE 92 2HG1 ILE 92 4.813 0.233 -0.963 715 HG21 ILE 92 1HG2 ILE 92 5.671 -3.842 0.044 716 HG22 ILE 92 2HG2 ILE 92 6.970 -2.634 0.157 717 HG23 ILE 92 3HG2 ILE 92 5.639 -2.632 1.329 718 HD11 ILE 92 3HD1 ILE 92 5.524 1.166 1.107 719 HD12 ILE 92 1HD1 ILE 92 4.380 -0.144 1.494 720 HD13 ILE 92 2HD1 ILE 92 6.136 -0.386 1.697 721 H LYS 93 H LYS 93 2.693 -1.991 -2.294 722 HA LYS 93 HA LYS 93 2.658 0.547 -3.732 723 HB2 LYS 93 1HB LYS 93 1.480 -0.193 -5.695 724 HB3 LYS 93 2HB LYS 93 2.990 -1.086 -5.595 725 HG2 LYS 93 1HG LYS 93 1.849 -3.088 -4.831 726 HG3 LYS 93 2HG LYS 93 0.326 -2.208 -4.616 727 HD2 LYS 93 1HD LYS 93 0.166 -1.779 -7.013 728 HD3 LYS 93 2HD LYS 93 1.678 -2.672 -7.298 729 HE2 LYS 93 1HE LYS 93 0.716 -4.745 -6.606 730 HE3 LYS 93 2HE LYS 93 -0.658 -3.946 -5.823 731 HZ1 LYS 93 3HZ LYS 93 -1.229 -4.953 -7.983 732 HZ2 LYS 93 1HZ LYS 93 -1.556 -3.356 -7.929 733 HZ3 LYS 93 2HZ LYS 93 -0.237 -3.905 -8.753 734 H ARG 94 H ARG 94 0.478 1.321 -4.164 735 HA ARG 94 HA ARG 94 -1.636 0.390 -2.251 736 HB2 ARG 94 1HB ARG 94 -0.934 3.102 -3.426 737 HB3 ARG 94 2HB ARG 94 -2.575 2.752 -2.872 738 HG2 ARG 94 1HG ARG 94 -1.893 2.322 -0.650 739 HG3 ARG 94 2HG ARG 94 -0.172 2.300 -1.061 740 HD2 ARG 94 1HD ARG 94 -1.875 4.782 -1.493 741 HD3 ARG 94 2HD ARG 94 -1.157 4.417 0.079 742 HE ARG 94 HE ARG 94 0.912 4.179 -1.810 743 HH11 ARG 94 1HH1 ARG 94 -1.067 6.781 -0.456 744 HH12 ARG 94 2HH1 ARG 94 0.149 7.981 -0.755 745 HH21 ARG 94 1HH2 ARG 94 2.455 5.766 -2.123 746 HH22 ARG 94 2HH2 ARG 94 2.122 7.413 -1.676 747 H ASP 95 H ASP 95 -3.659 -0.022 -3.062 748 HA ASP 95 HA ASP 95 -4.296 0.317 -5.916 749 HB2 ASP 95 1HB ASP 95 -3.096 -2.085 -5.106 750 HB3 ASP 95 2HB ASP 95 -4.827 -2.441 -5.016 751 H ILE 96 H ILE 96 -6.503 -0.948 -6.273 752 HA ILE 96 HA ILE 96 -8.430 -0.208 -4.099 753 HB ILE 96 HB ILE 96 -8.663 0.403 -7.058 754 HG12 ILE 96 1HG1 ILE 96 -7.048 1.928 -5.956 755 HG13 ILE 96 2HG1 ILE 96 -8.480 2.748 -6.546 756 HG21 ILE 96 1HG2 ILE 96 -10.885 0.025 -6.207 757 HG22 ILE 96 2HG2 ILE 96 -10.561 0.923 -4.703 758 HG23 ILE 96 3HG2 ILE 96 -10.700 1.774 -6.256 759 HD11 ILE 96 3HD1 ILE 96 -7.663 3.450 -4.232 760 HD12 ILE 96 1HD1 ILE 96 -9.384 3.010 -4.357 761 HD13 ILE 96 2HD1 ILE 96 -8.235 1.862 -3.663 762 H ILE 97 H ILE 97 -10.123 -1.490 -3.871 763 HA ILE 97 HA ILE 97 -10.324 -4.018 -5.457 764 HB ILE 97 HB ILE 97 -11.811 -3.193 -2.958 765 HG12 ILE 97 1HG1 ILE 97 -10.371 -5.258 -2.104 766 HG13 ILE 97 2HG1 ILE 97 -9.246 -4.735 -3.350 767 HG21 ILE 97 1HG2 ILE 97 -13.128 -4.705 -4.244 768 HG22 ILE 97 2HG2 ILE 97 -11.748 -5.811 -4.477 769 HG23 ILE 97 3HG2 ILE 97 -12.473 -5.580 -2.865 770 HD11 ILE 97 3HD1 ILE 97 -9.053 -3.821 -0.902 771 HD12 ILE 97 1HD1 ILE 97 -8.837 -2.669 -2.240 772 HD13 ILE 97 2HD1 ILE 97 -10.367 -2.738 -1.330 773 H ASP 98 H ASP 98 -12.049 -4.471 -6.735 774 HA ASP 98 HA ASP 98 -13.867 -2.222 -7.345 775 HB2 ASP 98 1HB ASP 98 -12.376 -3.186 -9.108 776 HB3 ASP 98 2HB ASP 98 -13.288 -4.692 -9.001 777 H ILE 99 H ILE 99 -14.039 -5.304 -5.937 778 HA ILE 99 HA ILE 99 -15.619 -6.372 -4.756 779 HB ILE 99 HB ILE 99 -17.580 -4.197 -5.502 780 HG12 ILE 99 1HG1 ILE 99 -15.610 -3.258 -4.309 781 HG13 ILE 99 2HG1 ILE 99 -17.102 -3.126 -3.405 782 HG21 ILE 99 1HG2 ILE 99 -18.791 -6.125 -4.727 783 HG22 ILE 99 2HG2 ILE 99 -17.751 -6.271 -3.299 784 HG23 ILE 99 3HG2 ILE 99 -18.821 -4.872 -3.490 785 HD11 ILE 99 3HD1 ILE 99 -15.133 -3.762 -2.011 786 HD12 ILE 99 1HD1 ILE 99 -16.454 -4.932 -1.906 787 HD13 ILE 99 2HD1 ILE 99 -15.019 -5.297 -2.888 788 HA PRO 100 HA PRO 100 -17.358 -8.889 -8.047 789 HB2 PRO 100 1HB PRO 100 -18.012 -11.123 -6.653 790 HB3 PRO 100 2HB PRO 100 -16.310 -10.621 -6.878 791 HG2 PRO 100 1HG PRO 100 -18.110 -10.074 -4.487 792 HG3 PRO 100 2HG PRO 100 -16.459 -10.777 -4.483 793 HD2 PRO 100 1HD PRO 100 -16.922 -8.115 -4.061 794 HD3 PRO 100 2HD PRO 100 -15.472 -8.686 -4.934 795 H LYS 101 H LYS 101 -19.447 -10.163 -8.450 796 HA LYS 101 HA LYS 101 -21.683 -8.469 -8.178 797 HB2 LYS 101 1HB LYS 101 -22.962 -10.236 -9.193 798 HB3 LYS 101 2HB LYS 101 -21.384 -10.111 -9.970 799 HG2 LYS 101 1HG LYS 101 -20.597 -12.073 -8.585 800 HG3 LYS 101 2HG LYS 101 -22.233 -12.236 -7.939 801 HD2 LYS 101 1HD LYS 101 -21.452 -12.452 -10.880 802 HD3 LYS 101 2HD LYS 101 -21.747 -13.811 -9.788 803 HE2 LYS 101 1HE LYS 101 -24.090 -13.021 -9.442 804 HE3 LYS 101 2HE LYS 101 -23.802 -11.694 -10.574 805 HZ1 LYS 101 3HZ LYS 101 -24.872 -13.567 -11.668 806 HZ2 LYS 101 1HZ LYS 101 -23.385 -13.348 -12.307 807 HZ3 LYS 101 2HZ LYS 101 -23.655 -14.576 -11.261 808 H LYS 102 H LYS 102 -20.622 -10.913 -5.923 809 HA LYS 102 HA LYS 102 -22.956 -11.296 -4.354 810 HB2 LYS 102 1HB LYS 102 -20.793 -12.559 -4.265 811 HB3 LYS 102 2HB LYS 102 -20.047 -11.182 -3.440 812 HG2 LYS 102 1HG LYS 102 -21.608 -11.452 -1.543 813 HG3 LYS 102 2HG LYS 102 -22.455 -12.753 -2.405 814 HD2 LYS 102 1HD LYS 102 -20.376 -14.112 -2.388 815 HD3 LYS 102 2HD LYS 102 -19.530 -12.805 -1.531 816 HE2 LYS 102 1HE LYS 102 -21.147 -12.996 0.350 817 HE3 LYS 102 2HE LYS 102 -21.997 -14.289 -0.505 818 HZ1 LYS 102 3HZ LYS 102 -20.444 -15.180 1.124 819 HZ2 LYS 102 1HZ LYS 102 -19.965 -15.622 -0.374 820 HZ3 LYS 102 2HZ LYS 102 -19.179 -14.426 0.419 821 H GLY 103 H GLY 103 -20.962 -8.437 -4.617 822 HA2 GLY 103 1HA GLY 103 -21.714 -7.014 -2.270 823 HA3 GLY 103 2HA GLY 103 -21.220 -6.309 -3.826 824 H VAL 104 H VAL 104 -23.718 -7.851 -4.976 825 HA VAL 104 HA VAL 104 -25.678 -5.802 -4.750 826 HB VAL 104 HB VAL 104 -25.479 -7.568 -6.545 827 HG11 VAL 104 1HG1 VAL 104 -25.487 -9.583 -5.017 828 HG12 VAL 104 2HG1 VAL 104 -27.207 -9.284 -4.710 829 HG13 VAL 104 3HG1 VAL 104 -26.653 -9.666 -6.349 830 HG21 VAL 104 3HG2 VAL 104 -27.828 -7.529 -7.124 831 HG22 VAL 104 1HG2 VAL 104 -28.287 -7.136 -5.459 832 HG23 VAL 104 2HG2 VAL 104 -27.360 -5.969 -6.429 833 H SER 105 H SER 105 -24.959 -8.437 -2.525 834 HA SER 105 HA SER 105 -27.516 -8.353 -1.108 835 HB2 SER 105 1HB SER 105 -24.815 -9.523 -0.356 836 HB3 SER 105 2HB SER 105 -26.318 -9.726 0.561 837 HG SER 105 HG SER 105 -25.930 -11.495 -0.872 838 H GLY 106 H GLY 106 -28.136 -6.674 0.107 839 HA2 GLY 106 1HA GLY 106 -26.271 -4.640 1.062 840 HA3 GLY 106 2HA GLY 106 -28.035 -4.646 1.234 841 HA PRO 107 HA PRO 107 -25.953 -5.617 5.367 842 HB2 PRO 107 1HB PRO 107 -26.344 -3.267 6.694 843 HB3 PRO 107 2HB PRO 107 -24.958 -3.526 5.593 844 HG2 PRO 107 1HG PRO 107 -27.609 -2.182 4.958 845 HG3 PRO 107 2HG PRO 107 -25.955 -1.561 4.643 846 HD2 PRO 107 1HD PRO 107 -27.401 -2.849 2.727 847 HD3 PRO 107 2HD PRO 107 -25.631 -3.075 2.860 848 H SER 108 H SER 108 -27.066 -5.857 7.438 849 HA SER 108 HA SER 108 -29.792 -6.658 7.130 850 HB2 SER 108 1HB SER 108 -28.202 -6.349 9.699 851 HB3 SER 108 2HB SER 108 -29.600 -7.396 9.433 852 HG SER 108 HG SER 108 -28.339 -8.653 7.999 853 H SER 109 H SER 109 -28.751 -3.521 7.644 854 HA SER 109 HA SER 109 -31.374 -2.535 8.356 855 HB2 SER 109 1HB SER 109 -30.454 -3.223 10.609 856 HB3 SER 109 2HB SER 109 -29.156 -2.040 10.379 857 HG SER 109 HG SER 109 -30.965 -1.203 11.580 858 H GLY 110 H GLY 110 -31.514 -0.223 8.167 859 HA2 GLY 110 1HA GLY 110 -29.430 1.590 7.544 860 HA3 GLY 110 2HA GLY 110 -29.994 0.907 6.020 861 H5'1 ATP 201 H5" ATP 111 10.713 -12.960 6.805 862 H5'2 ATP 201 H5' ATP 111 10.600 -13.069 5.046 863 H4' ATP 201 H4' ATP 111 8.875 -14.659 6.992 864 H3' ATP 201 H3' ATP 111 9.270 -15.298 4.347 865 HO3' ATP 201 H3T ATP 111 7.247 -16.277 4.484 866 H2' ATP 201 H2' ATP 111 8.771 -13.097 3.566 867 HO2' ATP 201 2HO ATP 111 6.325 -14.590 3.442 868 H1' ATP 201 H1' ATP 111 6.365 -13.148 5.421 869 H8 ATP 201 8H ATP 111 8.957 -10.777 3.692 870 HN61 ATP 201 2H6 ATP 111 5.689 -7.041 3.124 871 HN62 ATP 201 1H6 ATP 111 4.103 -6.843 3.879 872 H2 ATP 201 2H ATP 111 3.234 -10.059 6.510 Start of MODEL 19 1 HA PRO 1 HA PRO 1 26.292 6.050 -13.651 2 HB2 PRO 1 1HB PRO 1 27.697 5.428 -16.246 3 HB3 PRO 1 2HB PRO 1 26.732 6.862 -15.785 4 HG2 PRO 1 1HG PRO 1 29.604 6.476 -15.561 5 HG3 PRO 1 2HG PRO 1 28.676 7.896 -14.995 6 HD2 PRO 1 1HD PRO 1 29.976 6.174 -13.267 7 HD3 PRO 1 2HD PRO 1 28.515 7.097 -12.843 8 H SER 2 H SER 2 24.541 5.243 -15.131 9 HA SER 2 HA SER 2 24.479 2.504 -16.033 10 HB2 SER 2 1HB SER 2 24.291 2.249 -13.505 11 HB3 SER 2 2HB SER 2 22.752 3.117 -13.610 12 HG SER 2 HG SER 2 22.545 0.788 -13.689 13 H SER 3 H SER 3 21.969 1.964 -16.422 14 HA SER 3 HA SER 3 20.195 4.141 -17.123 15 HB2 SER 3 1HB SER 3 21.814 2.815 -19.332 16 HB3 SER 3 2HB SER 3 20.227 3.538 -19.627 17 HG SER 3 HG SER 3 22.244 5.027 -18.316 18 H GLY 4 H GLY 4 18.143 3.415 -17.697 19 HA2 GLY 4 1HA GLY 4 16.417 1.901 -18.142 20 HA3 GLY 4 2HA GLY 4 17.556 0.542 -18.091 21 H SER 5 H SER 5 15.107 0.322 -16.944 22 HA SER 5 HA SER 5 15.642 -0.330 -14.174 23 HB2 SER 5 1HB SER 5 13.906 1.174 -13.205 24 HB3 SER 5 2HB SER 5 15.326 2.029 -13.791 25 HG SER 5 HG SER 5 12.791 1.833 -15.114 26 H SER 6 H SER 6 13.877 -1.516 -13.155 27 HA SER 6 HA SER 6 12.044 -2.833 -15.049 28 HB2 SER 6 1HB SER 6 11.525 -4.226 -13.045 29 HB3 SER 6 2HB SER 6 13.235 -4.218 -13.502 30 HG SER 6 HG SER 6 12.932 -3.947 -11.221 31 H GLY 7 H GLY 7 11.862 -0.136 -12.939 32 HA2 GLY 7 1HA GLY 7 8.901 -0.198 -12.645 33 HA3 GLY 7 2HA GLY 7 10.022 0.981 -11.938 34 H PHE 8 H PHE 8 7.843 1.995 -12.989 35 HA PHE 8 HA PHE 8 8.582 3.206 -15.607 36 HB2 PHE 8 1HB PHE 8 5.902 2.149 -14.616 37 HB3 PHE 8 2HB PHE 8 6.122 3.097 -16.063 38 HD1 PHE 8 1HD PHE 8 7.465 2.185 -18.006 39 HD2 PHE 8 2HD PHE 8 6.404 -0.235 -14.597 40 HE1 PHE 8 1HE PHE 8 7.960 0.128 -19.308 41 HE2 PHE 8 2HE PHE 8 6.906 -2.288 -15.899 42 HZ PHE 8 HZ PHE 8 7.682 -2.111 -18.256 43 H LEU 9 H LEU 9 7.599 5.238 -16.038 44 HA LEU 9 HA LEU 9 7.364 6.967 -13.635 45 HB2 LEU 9 1HB LEU 9 9.178 7.327 -15.348 46 HB3 LEU 9 2HB LEU 9 7.931 7.636 -16.553 47 HG LEU 9 HG LEU 9 7.194 9.641 -15.260 48 HD11 LEU 9 1HD1 LEU 9 7.892 9.015 -12.977 49 HD12 LEU 9 2HD1 LEU 9 9.596 9.000 -13.482 50 HD13 LEU 9 3HD1 LEU 9 8.677 10.520 -13.459 51 HD21 LEU 9 3HD2 LEU 9 9.145 11.031 -15.818 52 HD22 LEU 9 1HD2 LEU 9 10.164 9.579 -15.939 53 HD23 LEU 9 2HD2 LEU 9 8.832 9.838 -17.089 54 H ASP 10 H ASP 10 5.745 8.572 -13.489 55 HA ASP 10 HA ASP 10 3.116 7.859 -14.453 56 HB2 ASP 10 1HB ASP 10 2.356 9.750 -13.196 57 HB3 ASP 10 2HB ASP 10 3.536 8.866 -12.241 58 H LYS 11 H LYS 11 1.648 9.352 -15.567 59 HA LYS 11 HA LYS 11 2.939 10.853 -17.782 60 HB2 LYS 11 1HB LYS 11 0.957 8.548 -17.817 61 HB3 LYS 11 2HB LYS 11 0.965 9.707 -19.122 62 HG2 LYS 11 1HG LYS 11 3.713 9.034 -18.738 63 HG3 LYS 11 2HG LYS 11 2.837 7.516 -18.583 64 HD2 LYS 11 1HD LYS 11 2.608 9.487 -20.904 65 HD3 LYS 11 2HD LYS 11 3.606 8.023 -20.900 66 HE2 LYS 11 1HE LYS 11 1.576 6.620 -20.558 67 HE3 LYS 11 2HE LYS 11 0.565 8.070 -20.601 68 HZ1 LYS 11 3HZ LYS 11 0.631 6.975 -22.757 69 HZ2 LYS 11 1HZ LYS 11 1.322 8.450 -22.884 70 HZ3 LYS 11 2HZ LYS 11 2.256 7.105 -22.842 71 HA PRO 12 HA PRO 12 0.036 14.057 -17.162 72 HB2 PRO 12 1HB PRO 12 -0.135 15.235 -19.617 73 HB3 PRO 12 2HB PRO 12 1.379 15.165 -18.688 74 HG2 PRO 12 1HG PRO 12 0.459 13.308 -20.911 75 HG3 PRO 12 2HG PRO 12 2.040 14.141 -20.759 76 HD2 PRO 12 1HD PRO 12 1.628 11.548 -19.951 77 HD3 PRO 12 2HD PRO 12 2.784 12.615 -19.135 78 H THR 13 H THR 13 -1.930 15.164 -18.406 79 HA THR 13 HA THR 13 -3.881 13.299 -19.508 80 HB THR 13 HB THR 13 -4.109 12.994 -17.046 81 HG1 THR 13 1HG THR 13 -6.251 13.027 -17.190 82 HG21 THR 13 3HG2 THR 13 -4.938 14.749 -15.634 83 HG22 THR 13 1HG2 THR 13 -3.485 15.373 -16.412 84 HG23 THR 13 2HG2 THR 13 -5.086 15.881 -16.997 85 H LEU 14 H LEU 14 -5.867 14.311 -20.061 86 HA LEU 14 HA LEU 14 -5.404 17.016 -21.258 87 HB2 LEU 14 1HB LEU 14 -7.275 14.800 -22.174 88 HB3 LEU 14 2HB LEU 14 -6.902 16.286 -23.021 89 HG LEU 14 HG LEU 14 -4.370 14.974 -22.525 90 HD11 LEU 14 1HD1 LEU 14 -5.656 12.903 -22.152 91 HD12 LEU 14 2HD1 LEU 14 -6.433 13.092 -23.741 92 HD13 LEU 14 3HD1 LEU 14 -4.678 12.818 -23.630 93 HD21 LEU 14 3HD2 LEU 14 -4.241 14.904 -24.972 94 HD22 LEU 14 1HD2 LEU 14 -5.983 15.237 -25.098 95 HD23 LEU 14 2HD2 LEU 14 -4.885 16.462 -24.421 96 H LEU 15 H LEU 15 -7.011 15.602 -18.722 97 HA LEU 15 HA LEU 15 -9.578 17.025 -18.978 98 HB2 LEU 15 1HB LEU 15 -8.569 15.400 -16.618 99 HB3 LEU 15 2HB LEU 15 -10.220 15.862 -16.982 100 HG LEU 15 HG LEU 15 -8.546 13.846 -18.532 101 HD11 LEU 15 1HD1 LEU 15 -9.384 13.084 -16.324 102 HD12 LEU 15 2HD1 LEU 15 -11.039 13.498 -16.818 103 HD13 LEU 15 3HD1 LEU 15 -10.150 12.216 -17.664 104 HD21 LEU 15 3HD2 LEU 15 -10.634 13.373 -19.804 105 HD22 LEU 15 1HD2 LEU 15 -11.406 14.779 -19.037 106 HD23 LEU 15 2HD2 LEU 15 -10.012 14.993 -20.124 107 H SER 16 H SER 16 -10.316 17.818 -16.670 108 HA SER 16 HA SER 16 -8.682 20.174 -15.951 109 HB2 SER 16 1HB SER 16 -11.575 19.352 -15.747 110 HB3 SER 16 2HB SER 16 -10.963 20.621 -14.752 111 HG SER 16 HG SER 16 -11.831 21.410 -16.767 112 HA PRO 17 HA PRO 17 -7.596 18.598 -11.954 113 HB2 PRO 17 1HB PRO 17 -7.944 20.766 -10.301 114 HB3 PRO 17 2HB PRO 17 -6.609 20.615 -11.482 115 HG2 PRO 17 1HG PRO 17 -9.241 22.082 -11.830 116 HG3 PRO 17 2HG PRO 17 -7.587 22.664 -12.211 117 HD2 PRO 17 1HD PRO 17 -9.199 21.639 -14.133 118 HD3 PRO 17 2HD PRO 17 -7.436 21.317 -14.129 119 H GLU 18 H GLU 18 -10.775 20.045 -12.395 120 HA GLU 18 HA GLU 18 -11.956 18.993 -9.960 121 HB2 GLU 18 1HB GLU 18 -13.302 19.906 -12.534 122 HB3 GLU 18 2HB GLU 18 -14.070 19.716 -10.961 123 HG2 GLU 18 1HG GLU 18 -11.927 21.763 -11.697 124 HG3 GLU 18 2HG GLU 18 -13.642 22.074 -11.496 125 H GLU 19 H GLU 19 -11.549 17.748 -13.253 126 HA GLU 19 HA GLU 19 -13.589 15.683 -13.161 127 HB2 GLU 19 1HB GLU 19 -11.170 16.272 -14.892 128 HB3 GLU 19 2HB GLU 19 -12.061 14.790 -15.090 129 HG2 GLU 19 1HG GLU 19 -13.208 17.605 -15.337 130 HG3 GLU 19 2HG GLU 19 -12.702 16.578 -16.675 131 H LEU 20 H LEU 20 -10.074 15.695 -12.876 132 HA LEU 20 HA LEU 20 -9.639 12.923 -12.367 133 HB2 LEU 20 1HB LEU 20 -8.015 15.335 -11.471 134 HB3 LEU 20 2HB LEU 20 -7.392 13.704 -11.633 135 HG LEU 20 HG LEU 20 -8.599 15.022 -14.093 136 HD11 LEU 20 1HD1 LEU 20 -7.184 16.701 -12.972 137 HD12 LEU 20 2HD1 LEU 20 -5.796 15.599 -13.105 138 HD13 LEU 20 3HD1 LEU 20 -6.605 16.225 -14.579 139 HD21 LEU 20 3HD2 LEU 20 -6.979 13.685 -15.270 140 HD22 LEU 20 1HD2 LEU 20 -6.207 13.176 -13.752 141 HD23 LEU 20 2HD2 LEU 20 -7.859 12.642 -14.144 142 H LYS 21 H LYS 21 -9.811 15.692 -10.114 143 HA LYS 21 HA LYS 21 -9.822 14.145 -7.687 144 HB2 LYS 21 1HB LYS 21 -10.689 16.931 -8.425 145 HB3 LYS 21 2HB LYS 21 -11.222 16.273 -6.893 146 HG2 LYS 21 1HG LYS 21 -9.147 17.608 -6.716 147 HG3 LYS 21 2HG LYS 21 -9.034 15.979 -6.055 148 HD2 LYS 21 1HD LYS 21 -7.720 15.212 -7.958 149 HD3 LYS 21 2HD LYS 21 -7.952 16.760 -8.790 150 HE2 LYS 21 1HE LYS 21 -6.767 17.928 -6.942 151 HE3 LYS 21 2HE LYS 21 -6.542 16.385 -6.109 152 HZ1 LYS 21 3HZ LYS 21 -4.572 17.004 -7.372 153 HZ2 LYS 21 1HZ LYS 21 -5.203 15.635 -8.000 154 HZ3 LYS 21 2HZ LYS 21 -5.412 17.064 -8.771 155 H ALA 22 H ALA 22 -12.625 15.034 -9.786 156 HA ALA 22 HA ALA 22 -14.571 13.846 -8.017 157 HB1 ALA 22 1HB ALA 22 -15.176 15.508 -9.712 158 HB2 ALA 22 2HB ALA 22 -14.691 14.398 -11.013 159 HB3 ALA 22 3HB ALA 22 -16.073 14.002 -9.973 160 H ALA 23 H ALA 23 -12.735 12.473 -10.782 161 HA ALA 23 HA ALA 23 -13.881 9.851 -10.681 162 HB1 ALA 23 1HB ALA 23 -12.518 10.757 -12.561 163 HB2 ALA 23 2HB ALA 23 -11.077 10.738 -11.515 164 HB3 ALA 23 3HB ALA 23 -11.873 9.216 -11.958 165 H SER 24 H SER 24 -11.020 11.220 -9.011 166 HA SER 24 HA SER 24 -10.305 8.818 -7.630 167 HB2 SER 24 1HB SER 24 -8.871 10.821 -8.090 168 HB3 SER 24 2HB SER 24 -9.723 11.675 -6.787 169 HG SER 24 HG SER 24 -7.765 10.638 -6.069 170 H ARG 25 H ARG 25 -12.524 11.450 -6.684 171 HA ARG 25 HA ARG 25 -13.107 10.592 -4.037 172 HB2 ARG 25 1HB ARG 25 -13.679 12.768 -5.151 173 HB3 ARG 25 2HB ARG 25 -14.960 11.948 -6.027 174 HG2 ARG 25 1HG ARG 25 -15.820 13.171 -4.116 175 HG3 ARG 25 2HG ARG 25 -16.138 11.451 -3.927 176 HD2 ARG 25 1HD ARG 25 -14.274 11.259 -2.325 177 HD3 ARG 25 2HD ARG 25 -13.837 12.950 -2.579 178 HE ARG 25 HE ARG 25 -16.060 11.862 -0.997 179 HH11 ARG 25 1HH1 ARG 25 -14.823 14.837 -2.470 180 HH12 ARG 25 2HH1 ARG 25 -15.769 15.851 -1.422 181 HH21 ARG 25 1HH2 ARG 25 -17.246 13.228 0.312 182 HH22 ARG 25 2HH2 ARG 25 -17.122 14.950 0.126 183 H GLY 26 H GLY 26 -14.038 9.267 -7.088 184 HA2 GLY 26 1HA GLY 26 -16.344 7.708 -6.319 185 HA3 GLY 26 2HA GLY 26 -15.317 7.486 -7.759 186 H ASN 27 H ASN 27 -12.970 7.165 -5.702 187 HA ASN 27 HA ASN 27 -13.016 4.278 -5.563 188 HB2 ASN 27 1HB ASN 27 -11.228 6.318 -4.217 189 HB3 ASN 27 2HB ASN 27 -10.969 4.586 -4.153 190 HD21 ASN 27 2HD2 ASN 27 -9.808 7.224 -5.696 191 HD22 ASN 27 1HD2 ASN 27 -9.288 6.444 -7.187 192 H GLY 28 H GLY 28 -14.005 3.042 -4.190 193 HA2 GLY 28 1HA GLY 28 -15.257 4.130 -1.707 194 HA3 GLY 28 2HA GLY 28 -15.773 2.711 -2.637 195 H GLU 29 H GLU 29 -12.496 2.352 -2.303 196 HA GLU 29 HA GLU 29 -12.403 1.022 0.307 197 HB2 GLU 29 1HB GLU 29 -13.297 -0.432 -1.977 198 HB3 GLU 29 2HB GLU 29 -11.627 -0.852 -1.762 199 HG2 GLU 29 1HG GLU 29 -12.995 -2.443 -0.534 200 HG3 GLU 29 2HG GLU 29 -12.033 -1.502 0.591 201 H TYR 30 H TYR 30 -10.202 -0.409 0.173 202 HA TYR 30 HA TYR 30 -8.064 0.580 -1.454 203 HB2 TYR 30 1HB TYR 30 -6.796 1.812 0.150 204 HB3 TYR 30 2HB TYR 30 -8.369 2.566 0.016 205 HD1 TYR 30 1HD TYR 30 -10.173 1.822 1.794 206 HD2 TYR 30 2HD TYR 30 -5.952 1.073 2.233 207 HE1 TYR 30 1HE TYR 30 -10.484 1.509 4.257 208 HE2 TYR 30 2HE TYR 30 -6.258 0.711 4.678 209 HH TYR 30 HH TYR 30 -7.750 0.675 6.430 210 H ALA 31 H ALA 31 -6.134 -0.461 -1.144 211 HA ALA 31 HA ALA 31 -5.688 -2.347 1.062 212 HB1 ALA 31 1HB ALA 31 -6.922 -3.813 -0.367 213 HB2 ALA 31 2HB ALA 31 -6.153 -3.187 -1.834 214 HB3 ALA 31 3HB ALA 31 -5.229 -4.189 -0.686 215 H TRP 32 H TRP 32 -3.537 -3.161 1.079 216 HA TRP 32 HA TRP 32 -1.556 -1.722 -0.634 217 HB2 TRP 32 1HB TRP 32 -1.388 -2.409 2.318 218 HB3 TRP 32 2HB TRP 32 0.017 -2.066 1.327 219 HD1 TRP 32 HD TRP 32 -3.282 -0.209 2.177 220 HE1 TRP 32 1HE TRP 32 -2.795 2.301 2.308 221 HE3 TRP 32 3HE TRP 32 1.709 -0.281 0.981 222 HZ2 TRP 32 2HZ TRP 32 -0.457 4.008 2.297 223 HZ3 TRP 32 3HZ TRP 32 3.022 1.823 1.033 224 HH2 TRP 32 HH TRP 32 1.956 3.959 1.723 225 H TYR 33 H TYR 33 0.194 -2.905 -1.320 226 HA TYR 33 HA TYR 33 0.179 -5.858 -0.919 227 HB2 TYR 33 1HB TYR 33 0.177 -4.384 -3.578 228 HB3 TYR 33 2HB TYR 33 0.604 -6.071 -3.396 229 HD1 TYR 33 1HD TYR 33 -2.243 -3.665 -2.906 230 HD2 TYR 33 2HD TYR 33 -1.014 -7.751 -3.564 231 HE1 TYR 33 1HE TYR 33 -4.623 -4.328 -3.226 232 HE2 TYR 33 2HE TYR 33 -3.386 -8.407 -3.900 233 HH TYR 33 HH TYR 33 -5.581 -7.705 -3.943 234 H TYR 34 H TYR 34 2.166 -6.896 -1.377 235 HA TYR 34 HA TYR 34 4.543 -5.191 -1.928 236 HB2 TYR 34 1HB TYR 34 5.821 -6.217 -0.200 237 HB3 TYR 34 2HB TYR 34 4.366 -5.553 0.515 238 HD1 TYR 34 2HD TYR 34 2.507 -7.090 1.267 239 HD2 TYR 34 1HD TYR 34 6.309 -8.588 -0.121 240 HE1 TYR 34 2HE TYR 34 2.008 -9.292 2.293 241 HE2 TYR 34 1HE TYR 34 5.818 -10.792 0.918 242 HH TYR 34 HH TYR 34 2.753 -11.441 2.670 243 H GLU 35 H GLU 35 6.270 -6.272 -3.026 244 HA GLU 35 HA GLU 35 5.438 -8.672 -4.529 245 HB2 GLU 35 1HB GLU 35 7.980 -7.012 -4.675 246 HB3 GLU 35 2HB GLU 35 7.654 -8.468 -5.625 247 HG2 GLU 35 1HG GLU 35 5.473 -7.276 -6.375 248 HG3 GLU 35 2HG GLU 35 6.235 -5.805 -5.756 249 H GLY 36 H GLY 36 5.422 -10.480 -3.387 250 HA2 GLY 36 1HA GLY 36 7.702 -11.316 -1.655 251 HA3 GLY 36 2HA GLY 36 6.194 -12.203 -1.944 252 H ARG 37 H ARG 37 7.491 -14.083 -2.315 253 HA ARG 37 HA ARG 37 9.560 -14.317 -4.238 254 HB2 ARG 37 1HB ARG 37 7.590 -16.386 -3.173 255 HB3 ARG 37 2HB ARG 37 9.016 -16.786 -4.124 256 HG2 ARG 37 1HG ARG 37 9.047 -15.450 -1.383 257 HG3 ARG 37 2HG ARG 37 9.357 -17.150 -1.730 258 HD2 ARG 37 1HD ARG 37 11.281 -16.399 -3.225 259 HD3 ARG 37 2HD ARG 37 11.073 -14.774 -2.569 260 HE ARG 37 HE ARG 37 12.142 -17.164 -1.229 261 HH11 ARG 37 1HH1 ARG 37 10.999 -13.853 -0.631 262 HH12 ARG 37 2HH1 ARG 37 11.759 -13.803 0.946 263 HH21 ARG 37 1HH2 ARG 37 12.978 -17.034 0.838 264 HH22 ARG 37 2HH2 ARG 37 12.672 -15.616 1.814 265 H ASN 38 H ASN 38 6.078 -14.920 -4.635 266 HA ASN 38 HA ASN 38 6.486 -15.612 -7.498 267 HB2 ASN 38 1HB ASN 38 4.217 -16.179 -5.576 268 HB3 ASN 38 2HB ASN 38 4.245 -16.690 -7.262 269 HD21 ASN 38 2HD2 ASN 38 4.192 -18.308 -4.707 270 HD22 ASN 38 1HD2 ASN 38 5.574 -19.378 -4.860 271 H GLY 39 H GLY 39 5.320 -12.897 -5.778 272 HA2 GLY 39 1HA GLY 39 4.928 -11.145 -7.784 273 HA3 GLY 39 2HA GLY 39 3.396 -12.004 -7.832 274 H TRP 40 H TRP 40 2.506 -9.847 -7.344 275 HA TRP 40 HA TRP 40 2.834 -8.563 -4.816 276 HB2 TRP 40 1HB TRP 40 0.532 -8.561 -6.801 277 HB3 TRP 40 2HB TRP 40 0.685 -7.469 -5.434 278 HD1 TRP 40 HD TRP 40 1.704 -7.857 -8.982 279 HE1 TRP 40 1HE TRP 40 3.257 -5.968 -9.712 280 HE3 TRP 40 3HE TRP 40 2.745 -5.861 -4.390 281 HZ2 TRP 40 2HZ TRP 40 4.635 -3.722 -8.473 282 HZ3 TRP 40 3HZ TRP 40 4.170 -3.851 -4.194 283 HH2 TRP 40 HH TRP 40 5.095 -2.751 -6.214 284 H TRP 41 H TRP 41 2.110 -9.069 -2.866 285 HA TRP 41 HA TRP 41 -0.337 -10.748 -2.525 286 HB2 TRP 41 1HB TRP 41 2.229 -10.870 -0.891 287 HB3 TRP 41 2HB TRP 41 0.747 -11.776 -0.565 288 HD1 TRP 41 HD TRP 41 3.961 -12.345 -2.041 289 HE1 TRP 41 1HE TRP 41 3.985 -14.173 -3.838 290 HE3 TRP 41 3HE TRP 41 -1.085 -12.886 -2.719 291 HZ2 TRP 41 2HZ TRP 41 2.073 -15.469 -5.572 292 HZ3 TRP 41 3HZ TRP 41 -1.956 -14.385 -4.461 293 HH2 TRP 41 HH TRP 41 -0.395 -15.688 -5.915 294 H GLN 42 H GLN 42 -1.753 -10.137 -0.946 295 HA GLN 42 HA GLN 42 -1.662 -7.284 -0.357 296 HB2 GLN 42 1HB GLN 42 -3.660 -8.676 -1.217 297 HB3 GLN 42 2HB GLN 42 -3.828 -9.254 0.444 298 HG2 GLN 42 1HG GLN 42 -3.969 -6.807 1.161 299 HG3 GLN 42 2HG GLN 42 -3.999 -6.366 -0.541 300 HE21 GLN 42 2HE2 GLN 42 -6.061 -6.229 1.802 301 HE22 GLN 42 1HE2 GLN 42 -7.498 -6.923 1.067 302 H TYR 43 H TYR 43 -1.540 -6.271 1.603 303 HA TYR 43 HA TYR 43 -0.598 -7.677 3.985 304 HB2 TYR 43 1HB TYR 43 -1.402 -4.839 3.325 305 HB3 TYR 43 2HB TYR 43 -1.023 -5.320 4.973 306 HD1 TYR 43 1HD TYR 43 1.278 -6.223 5.529 307 HD2 TYR 43 2HD TYR 43 0.335 -4.348 1.775 308 HE1 TYR 43 1HE TYR 43 3.688 -5.750 5.157 309 HE2 TYR 43 2HE TYR 43 2.732 -3.862 1.388 310 HH TYR 43 HH TYR 43 4.840 -4.051 2.207 311 H ASP 44 H ASP 44 -1.636 -7.697 6.020 312 HA ASP 44 HA ASP 44 -4.428 -8.405 6.096 313 HB2 ASP 44 1HB ASP 44 -2.721 -9.349 7.584 314 HB3 ASP 44 2HB ASP 44 -2.416 -7.759 8.288 315 H GLU 45 H GLU 45 -6.093 -7.318 7.453 316 HA GLU 45 HA GLU 45 -6.437 -4.578 6.610 317 HB2 GLU 45 1HB GLU 45 -8.563 -4.771 7.932 318 HB3 GLU 45 2HB GLU 45 -8.357 -5.963 6.650 319 HG2 GLU 45 1HG GLU 45 -7.836 -7.719 8.227 320 HG3 GLU 45 2HG GLU 45 -7.691 -6.572 9.554 321 H ARG 46 H ARG 46 -5.113 -6.009 9.530 322 HA ARG 46 HA ARG 46 -5.347 -3.454 11.017 323 HB2 ARG 46 1HB ARG 46 -3.932 -5.956 11.938 324 HB3 ARG 46 2HB ARG 46 -4.556 -4.626 12.905 325 HG2 ARG 46 1HG ARG 46 -6.124 -6.852 11.569 326 HG3 ARG 46 2HG ARG 46 -6.043 -6.429 13.274 327 HD2 ARG 46 1HD ARG 46 -7.302 -4.303 12.759 328 HD3 ARG 46 2HD ARG 46 -7.376 -4.812 11.061 329 HE ARG 46 HE ARG 46 -9.078 -6.228 11.487 330 HH11 ARG 46 1HH1 ARG 46 -7.730 -5.463 14.683 331 HH12 ARG 46 2HH1 ARG 46 -9.044 -6.261 15.497 332 HH21 ARG 46 1HH2 ARG 46 -10.657 -7.202 12.551 333 HH22 ARG 46 2HH2 ARG 46 -10.703 -7.254 14.296 334 H THR 47 H THR 47 -3.130 -4.972 8.898 335 HA THR 47 HA THR 47 -0.809 -3.397 9.865 336 HB THR 47 HB THR 47 -0.959 -5.475 7.648 337 HG1 THR 47 1HG THR 47 0.115 -6.711 9.274 338 HG21 THR 47 3HG2 THR 47 1.555 -5.444 7.956 339 HG22 THR 47 1HG2 THR 47 0.912 -3.935 7.280 340 HG23 THR 47 2HG2 THR 47 1.358 -4.007 8.993 341 H SER 48 H SER 48 -2.661 -3.879 6.810 342 HA SER 48 HA SER 48 -1.375 -1.810 5.346 343 HB2 SER 48 1HB SER 48 -3.318 -1.880 3.858 344 HB3 SER 48 2HB SER 48 -2.716 -3.491 4.240 345 HG SER 48 HG SER 48 -4.449 -3.872 5.540 346 H ARG 49 H ARG 49 -4.038 -1.568 7.672 347 HA ARG 49 HA ARG 49 -4.767 1.105 7.040 348 HB2 ARG 49 1HB ARG 49 -6.011 1.135 9.007 349 HB3 ARG 49 2HB ARG 49 -6.054 -0.516 8.429 350 HG2 ARG 49 1HG ARG 49 -5.739 -0.818 10.695 351 HG3 ARG 49 2HG ARG 49 -4.123 -0.996 10.055 352 HD2 ARG 49 1HD ARG 49 -4.310 0.284 12.231 353 HD3 ARG 49 2HD ARG 49 -3.428 1.092 10.963 354 HE ARG 49 HE ARG 49 -6.287 1.782 11.243 355 HH11 ARG 49 1HH1 ARG 49 -2.970 2.791 12.074 356 HH12 ARG 49 2HH1 ARG 49 -3.404 4.492 11.977 357 HH21 ARG 49 1HH2 ARG 49 -6.744 3.998 11.306 358 HH22 ARG 49 2HH2 ARG 49 -5.473 5.123 11.701 359 H GLU 50 H GLU 50 -1.944 -0.127 8.769 360 HA GLU 50 HA GLU 50 -1.338 2.406 10.112 361 HB2 GLU 50 1HB GLU 50 0.493 0.063 9.447 362 HB3 GLU 50 2HB GLU 50 0.884 1.389 10.525 363 HG2 GLU 50 1HG GLU 50 -1.461 -0.487 11.047 364 HG3 GLU 50 2HG GLU 50 0.178 -0.822 11.582 365 H LEU 51 H LEU 51 -0.421 0.790 7.112 366 HA LEU 51 HA LEU 51 1.487 2.712 6.140 367 HB2 LEU 51 1HB LEU 51 -0.244 0.786 4.540 368 HB3 LEU 51 2HB LEU 51 1.327 1.443 4.096 369 HG LEU 51 HG LEU 51 0.817 -0.560 6.347 370 HD11 LEU 51 1HD1 LEU 51 0.446 -1.494 4.101 371 HD12 LEU 51 2HD1 LEU 51 2.081 -0.987 3.619 372 HD13 LEU 51 3HD1 LEU 51 1.855 -2.197 4.904 373 HD21 LEU 51 3HD2 LEU 51 3.295 -0.788 6.347 374 HD22 LEU 51 1HD2 LEU 51 3.398 0.588 5.224 375 HD23 LEU 51 2HD2 LEU 51 2.757 0.810 6.869 376 H GLU 52 H GLU 52 -1.983 2.171 5.496 377 HA GLU 52 HA GLU 52 -2.440 4.352 3.763 378 HB2 GLU 52 1HB GLU 52 -3.930 2.331 4.257 379 HB3 GLU 52 2HB GLU 52 -4.376 3.122 5.761 380 HG2 GLU 52 1HG GLU 52 -6.122 3.552 4.237 381 HG3 GLU 52 2HG GLU 52 -5.267 5.066 4.405 382 H ASP 53 H ASP 53 -2.260 4.293 7.319 383 HA ASP 53 HA ASP 53 -3.463 6.935 7.666 384 HB2 ASP 53 1HB ASP 53 -3.527 4.946 9.250 385 HB3 ASP 53 2HB ASP 53 -1.848 5.267 9.638 386 H ALA 54 H ALA 54 -0.239 5.522 7.626 387 HA ALA 54 HA ALA 54 1.280 7.688 8.589 388 HB1 ALA 54 1HB ALA 54 2.159 5.483 8.454 389 HB2 ALA 54 2HB ALA 54 1.945 5.415 6.696 390 HB3 ALA 54 3HB ALA 54 3.170 6.505 7.398 391 H PHE 55 H PHE 55 0.621 7.006 5.081 392 HA PHE 55 HA PHE 55 1.974 9.427 4.263 393 HB2 PHE 55 1HB PHE 55 1.534 8.844 2.130 394 HB3 PHE 55 2HB PHE 55 1.377 7.266 2.868 395 HD1 PHE 55 1HD PHE 55 -0.910 6.274 3.240 396 HD2 PHE 55 2HD PHE 55 -0.320 9.947 1.071 397 HE1 PHE 55 1HE PHE 55 -3.153 6.033 2.206 398 HE2 PHE 55 2HE PHE 55 -2.565 9.699 0.033 399 HZ PHE 55 HZ PHE 55 -3.984 7.733 0.599 400 H SER 56 H SER 56 -1.089 8.847 5.593 401 HA SER 56 HA SER 56 -2.365 11.347 4.670 402 HB2 SER 56 1HB SER 56 -3.481 9.044 5.190 403 HB3 SER 56 2HB SER 56 -3.388 9.554 6.877 404 HG SER 56 HG SER 56 -5.383 10.169 5.863 405 H LYS 57 H LYS 57 -0.632 10.170 7.544 406 HA LYS 57 HA LYS 57 -1.181 12.461 9.256 407 HB2 LYS 57 1HB LYS 57 0.837 10.192 9.243 408 HB3 LYS 57 2HB LYS 57 0.878 11.467 10.462 409 HG2 LYS 57 1HG LYS 57 -1.113 10.808 11.476 410 HG3 LYS 57 2HG LYS 57 -1.712 9.974 10.041 411 HD2 LYS 57 1HD LYS 57 -1.019 8.355 11.784 412 HD3 LYS 57 2HD LYS 57 -0.119 8.192 10.290 413 HE2 LYS 57 1HE LYS 57 1.616 8.019 11.779 414 HE3 LYS 57 2HE LYS 57 1.676 9.737 11.439 415 HZ1 LYS 57 3HZ LYS 57 1.751 9.354 13.830 416 HZ2 LYS 57 1HZ LYS 57 0.366 10.138 13.466 417 HZ3 LYS 57 2HZ LYS 57 0.336 8.540 13.804 418 H GLY 58 H GLY 58 1.533 11.504 7.139 419 HA2 GLY 58 1HA GLY 58 2.521 13.401 5.820 420 HA3 GLY 58 2HA GLY 58 2.719 14.259 7.365 421 H LYS 59 H LYS 59 3.372 11.113 8.213 422 HA LYS 59 HA LYS 59 6.233 11.498 8.075 423 HB2 LYS 59 1HB LYS 59 6.317 9.097 8.872 424 HB3 LYS 59 2HB LYS 59 5.531 10.253 9.928 425 HG2 LYS 59 1HG LYS 59 3.348 9.454 9.421 426 HG3 LYS 59 2HG LYS 59 3.935 8.574 8.003 427 HD2 LYS 59 1HD LYS 59 3.411 7.077 9.900 428 HD3 LYS 59 2HD LYS 59 5.079 6.966 9.377 429 HE2 LYS 59 1HE LYS 59 5.786 8.412 11.276 430 HE3 LYS 59 2HE LYS 59 4.108 8.503 11.824 431 HZ1 LYS 59 3HZ LYS 59 5.321 6.776 13.011 432 HZ2 LYS 59 1HZ LYS 59 4.172 6.054 12.096 433 HZ3 LYS 59 2HZ LYS 59 5.731 6.020 11.624 434 H LYS 60 H LYS 60 7.743 10.258 7.021 435 HA LYS 60 HA LYS 60 6.976 9.611 4.216 436 HB2 LYS 60 1HB LYS 60 9.101 10.269 3.573 437 HB3 LYS 60 2HB LYS 60 8.611 11.457 4.776 438 HG2 LYS 60 1HG LYS 60 10.049 10.279 6.458 439 HG3 LYS 60 2HG LYS 60 10.544 9.144 5.181 440 HD2 LYS 60 1HD LYS 60 11.303 11.154 3.835 441 HD3 LYS 60 2HD LYS 60 11.090 12.138 5.287 442 HE2 LYS 60 1HE LYS 60 12.855 11.085 6.428 443 HE3 LYS 60 2HE LYS 60 12.686 9.583 5.507 444 HZ1 LYS 60 3HZ LYS 60 14.667 10.794 4.839 445 HZ2 LYS 60 1HZ LYS 60 13.615 10.638 3.590 446 HZ3 LYS 60 2HZ LYS 60 13.775 12.085 4.365 447 H ASN 61 H ASN 61 7.392 7.885 6.940 448 HA ASN 61 HA ASN 61 7.553 5.382 5.663 449 HB2 ASN 61 1HB ASN 61 9.623 4.466 6.522 450 HB3 ASN 61 2HB ASN 61 9.997 5.836 5.487 451 HD21 ASN 61 2HD2 ASN 61 10.346 7.914 6.598 452 HD22 ASN 61 1HD2 ASN 61 11.187 7.920 8.141 453 H THR 62 H THR 62 6.972 3.759 7.053 454 HA THR 62 HA THR 62 6.676 4.363 9.967 455 HB THR 62 HB THR 62 4.561 4.925 8.697 456 HG1 THR 62 1HG THR 62 3.368 3.862 10.417 457 HG21 THR 62 3HG2 THR 62 3.016 3.088 8.219 458 HG22 THR 62 1HG2 THR 62 4.470 2.904 7.223 459 HG23 THR 62 2HG2 THR 62 4.238 1.879 8.658 460 H GLU 63 H GLU 63 5.722 2.265 11.072 461 HA GLU 63 HA GLU 63 7.530 0.011 10.290 462 HB2 GLU 63 1HB GLU 63 7.133 1.394 12.971 463 HB3 GLU 63 2HB GLU 63 7.831 -0.221 12.815 464 HG2 GLU 63 1HG GLU 63 9.573 0.623 11.325 465 HG3 GLU 63 2HG GLU 63 8.932 2.261 11.437 466 H MET 64 H MET 64 6.882 -2.011 10.700 467 HA MET 64 HA MET 64 4.234 -2.583 11.896 468 HB2 MET 64 1HB MET 64 3.588 -3.832 9.802 469 HB3 MET 64 2HB MET 64 3.584 -2.075 9.663 470 HG2 MET 64 1HG MET 64 5.723 -2.099 8.501 471 HG3 MET 64 2HG MET 64 5.917 -3.827 8.800 472 HE1 MET 64 3HE MET 64 5.789 -3.667 5.036 473 HE2 MET 64 1HE MET 64 6.752 -3.116 6.417 474 HE3 MET 64 2HE MET 64 6.236 -4.820 6.308 475 H LEU 65 H LEU 65 3.881 -4.655 12.460 476 HA LEU 65 HA LEU 65 6.235 -6.457 12.607 477 HB2 LEU 65 1HB LEU 65 4.536 -5.492 14.611 478 HB3 LEU 65 2HB LEU 65 3.807 -7.033 14.243 479 HG LEU 65 HG LEU 65 5.305 -7.213 16.101 480 HD11 LEU 65 1HD1 LEU 65 5.209 -9.183 14.623 481 HD12 LEU 65 2HD1 LEU 65 6.667 -8.605 13.783 482 HD13 LEU 65 3HD1 LEU 65 6.747 -9.043 15.491 483 HD21 LEU 65 3HD2 LEU 65 7.670 -6.707 16.022 484 HD22 LEU 65 1HD2 LEU 65 7.575 -6.309 14.295 485 HD23 LEU 65 2HD2 LEU 65 6.742 -5.286 15.485 486 H ILE 66 H ILE 66 6.105 -8.501 11.966 487 HA ILE 66 HA ILE 66 3.681 -9.428 10.428 488 HB ILE 66 HB ILE 66 5.013 -10.333 8.725 489 HG12 ILE 66 1HG1 ILE 66 7.600 -9.105 9.247 490 HG13 ILE 66 2HG1 ILE 66 7.203 -10.147 10.587 491 HG21 ILE 66 1HG2 ILE 66 4.255 -7.961 8.609 492 HG22 ILE 66 2HG2 ILE 66 5.868 -7.441 9.126 493 HG23 ILE 66 3HG2 ILE 66 5.654 -8.337 7.608 494 HD11 ILE 66 3HD1 ILE 66 8.465 -11.207 8.616 495 HD12 ILE 66 1HD1 ILE 66 7.077 -12.095 9.249 496 HD13 ILE 66 2HD1 ILE 66 6.916 -11.167 7.751 497 H ALA 67 H ALA 67 4.940 -11.988 9.772 498 HA ALA 67 HA ALA 67 4.040 -13.596 11.883 499 HB1 ALA 67 1HB ALA 67 4.293 -14.253 9.488 500 HB2 ALA 67 2HB ALA 67 6.065 -14.200 9.674 501 HB3 ALA 67 3HB ALA 67 5.113 -15.399 10.569 502 H GLY 68 H GLY 68 7.113 -11.985 11.740 503 HA2 GLY 68 1HA GLY 68 7.877 -12.841 14.351 504 HA3 GLY 68 2HA GLY 68 8.768 -13.792 13.183 505 H PHE 69 H PHE 69 8.082 -10.457 12.285 506 HA PHE 69 HA PHE 69 10.797 -9.529 12.978 507 HB2 PHE 69 1HB PHE 69 9.852 -9.912 10.101 508 HB3 PHE 69 2HB PHE 69 11.291 -9.045 10.575 509 HD1 PHE 69 2HD PHE 69 13.255 -10.227 11.552 510 HD2 PHE 69 1HD PHE 69 9.836 -12.368 10.015 511 HE1 PHE 69 2HE PHE 69 14.605 -12.307 11.431 512 HE2 PHE 69 1HE PHE 69 11.194 -14.438 9.888 513 HZ PHE 69 HZ PHE 69 13.578 -14.412 10.596 514 H LEU 70 H LEU 70 11.138 -7.325 12.649 515 HA LEU 70 HA LEU 70 8.740 -5.607 12.251 516 HB2 LEU 70 1HB LEU 70 10.368 -5.369 14.257 517 HB3 LEU 70 2HB LEU 70 11.543 -4.809 13.080 518 HG LEU 70 HG LEU 70 10.652 -2.940 14.214 519 HD11 LEU 70 1HD1 LEU 70 10.938 -2.695 11.683 520 HD12 LEU 70 2HD1 LEU 70 9.158 -2.764 11.598 521 HD13 LEU 70 3HD1 LEU 70 9.950 -1.487 12.514 522 HD21 LEU 70 3HD2 LEU 70 8.252 -2.315 14.196 523 HD22 LEU 70 1HD2 LEU 70 7.861 -3.882 13.459 524 HD23 LEU 70 2HD2 LEU 70 8.581 -3.814 15.082 525 H TYR 71 H TYR 71 8.442 -4.753 10.354 526 HA TYR 71 HA TYR 71 10.734 -4.298 8.477 527 HB2 TYR 71 1HB TYR 71 7.866 -4.951 7.832 528 HB3 TYR 71 2HB TYR 71 9.026 -4.377 6.643 529 HD1 TYR 71 1HD TYR 71 11.490 -5.954 7.275 530 HD2 TYR 71 2HD TYR 71 7.355 -7.114 7.091 531 HE1 TYR 71 1HE TYR 71 12.145 -8.313 6.849 532 HE2 TYR 71 2HE TYR 71 7.998 -9.463 6.837 533 HH TYR 71 HH TYR 71 9.800 -10.978 6.623 534 H VAL 72 H VAL 72 11.148 -2.336 7.904 535 HA VAL 72 HA VAL 72 9.464 -0.045 8.730 536 HB VAL 72 HB VAL 72 12.147 0.009 7.307 537 HG11 VAL 72 1HG1 VAL 72 10.815 2.098 7.100 538 HG12 VAL 72 2HG1 VAL 72 10.628 2.156 8.866 539 HG13 VAL 72 3HG1 VAL 72 12.230 2.349 8.127 540 HG21 VAL 72 3HG2 VAL 72 13.159 0.551 9.497 541 HG22 VAL 72 1HG2 VAL 72 11.615 0.174 10.291 542 HG23 VAL 72 2HG2 VAL 72 12.520 -1.093 9.433 543 H ALA 73 H ALA 73 7.922 0.530 7.319 544 HA ALA 73 HA ALA 73 8.113 -0.110 4.415 545 HB1 ALA 73 1HB ALA 73 6.030 -0.725 5.560 546 HB2 ALA 73 2HB ALA 73 5.830 0.947 6.129 547 HB3 ALA 73 3HB ALA 73 5.747 0.581 4.392 548 H ASP 74 H ASP 74 9.257 1.337 3.332 549 HA ASP 74 HA ASP 74 9.418 4.175 4.091 550 HB2 ASP 74 1HB ASP 74 11.452 2.979 3.425 551 HB3 ASP 74 2HB ASP 74 10.727 2.591 1.866 552 H LEU 75 H LEU 75 7.915 5.507 3.466 553 HA LEU 75 HA LEU 75 6.105 4.919 1.225 554 HB2 LEU 75 1HB LEU 75 6.153 6.935 3.494 555 HB3 LEU 75 2HB LEU 75 5.095 7.147 2.122 556 HG LEU 75 HG LEU 75 3.894 5.138 2.588 557 HD11 LEU 75 1HD1 LEU 75 5.558 3.623 3.537 558 HD12 LEU 75 2HD1 LEU 75 5.612 4.623 5.016 559 HD13 LEU 75 3HD1 LEU 75 4.127 3.770 4.560 560 HD21 LEU 75 3HD2 LEU 75 2.763 5.905 4.569 561 HD22 LEU 75 1HD2 LEU 75 4.245 6.668 5.198 562 HD23 LEU 75 2HD2 LEU 75 3.429 7.346 3.789 563 H GLU 76 H GLU 76 9.037 6.722 1.637 564 HA GLU 76 HA GLU 76 8.618 8.752 -0.364 565 HB2 GLU 76 1HB GLU 76 11.196 7.369 0.506 566 HB3 GLU 76 2HB GLU 76 11.087 8.736 -0.588 567 HG2 GLU 76 1HG GLU 76 9.847 9.884 1.403 568 HG3 GLU 76 2HG GLU 76 10.567 8.612 2.383 569 H ASN 77 H ASN 77 10.247 5.571 -0.560 570 HA ASN 77 HA ASN 77 10.284 5.688 -3.526 571 HB2 ASN 77 1HB ASN 77 11.723 3.881 -1.539 572 HB3 ASN 77 2HB ASN 77 11.978 3.909 -3.278 573 HD21 ASN 77 2HD2 ASN 77 12.343 5.887 -0.288 574 HD22 ASN 77 1HD2 ASN 77 13.652 6.864 -0.954 575 H MET 78 H MET 78 8.312 4.419 -1.181 576 HA MET 78 HA MET 78 6.783 2.742 -0.951 577 HB2 MET 78 1HB MET 78 6.867 2.572 -3.978 578 HB3 MET 78 2HB MET 78 5.654 1.843 -2.926 579 HG2 MET 78 1HG MET 78 6.023 4.802 -2.642 580 HG3 MET 78 2HG MET 78 5.381 4.220 -4.165 581 HE1 MET 78 3HE MET 78 3.224 4.206 -0.130 582 HE2 MET 78 1HE MET 78 4.766 3.341 -0.260 583 HE3 MET 78 2HE MET 78 4.689 5.098 -0.570 584 H VAL 79 H VAL 79 8.776 1.763 0.038 585 HA VAL 79 HA VAL 79 9.011 -1.014 -0.985 586 HB VAL 79 HB VAL 79 11.432 -1.148 -0.608 587 HG11 VAL 79 1HG1 VAL 79 10.615 -0.767 -2.902 588 HG12 VAL 79 2HG1 VAL 79 10.814 0.986 -2.674 589 HG13 VAL 79 3HG1 VAL 79 12.221 -0.091 -2.625 590 HG21 VAL 79 3HG2 VAL 79 12.839 0.864 -0.428 591 HG22 VAL 79 1HG2 VAL 79 11.390 1.878 -0.307 592 HG23 VAL 79 2HG2 VAL 79 11.771 0.694 0.967 593 H GLN 80 H GLN 80 10.092 -2.483 0.703 594 HA GLN 80 HA GLN 80 9.880 -1.458 3.465 595 HB2 GLN 80 1HB GLN 80 8.408 -3.219 4.200 596 HB3 GLN 80 2HB GLN 80 7.665 -2.318 2.898 597 HG2 GLN 80 1HG GLN 80 7.136 -4.411 2.187 598 HG3 GLN 80 2HG GLN 80 8.657 -4.257 1.346 599 HE21 GLN 80 2HE2 GLN 80 7.974 -6.754 1.474 600 HE22 GLN 80 1HE2 GLN 80 8.611 -7.622 2.869 601 H TYR 81 H TYR 81 11.282 -2.286 4.890 602 HA TYR 81 HA TYR 81 12.996 -4.603 4.251 603 HB2 TYR 81 1HB TYR 81 15.045 -3.126 4.563 604 HB3 TYR 81 2HB TYR 81 14.180 -2.977 3.067 605 HD1 TYR 81 2HD TYR 81 14.499 -1.271 6.420 606 HD2 TYR 81 1HD TYR 81 13.495 -0.901 2.244 607 HE1 TYR 81 2HE TYR 81 14.538 1.194 6.628 608 HE2 TYR 81 1HE TYR 81 13.607 1.550 2.415 609 HH TYR 81 HH TYR 81 14.337 3.215 5.532 610 H ARG 82 H ARG 82 14.607 -5.078 5.977 611 HA ARG 82 HA ARG 82 13.479 -4.791 8.667 612 HB2 ARG 82 1HB ARG 82 16.084 -6.041 7.681 613 HB3 ARG 82 2HB ARG 82 15.531 -6.047 9.365 614 HG2 ARG 82 1HG ARG 82 13.427 -7.189 8.652 615 HG3 ARG 82 2HG ARG 82 14.087 -7.294 7.004 616 HD2 ARG 82 1HD ARG 82 15.950 -8.666 7.816 617 HD3 ARG 82 2HD ARG 82 15.338 -8.547 9.480 618 HE ARG 82 HE ARG 82 13.168 -9.550 8.302 619 HH11 ARG 82 1HH1 ARG 82 16.512 -10.694 7.959 620 HH12 ARG 82 2HH1 ARG 82 15.986 -12.301 7.505 621 HH21 ARG 82 1HH2 ARG 82 12.609 -11.641 7.751 622 HH22 ARG 82 2HH2 ARG 82 13.867 -12.832 7.471 623 H ARG 83 H ARG 83 14.368 -3.694 10.415 624 HA ARG 83 HA ARG 83 15.324 -1.090 10.032 625 HB2 ARG 83 1HB ARG 83 15.412 -2.934 12.447 626 HB3 ARG 83 2HB ARG 83 15.979 -1.263 12.513 627 HG2 ARG 83 1HG ARG 83 13.792 -0.401 11.885 628 HG3 ARG 83 2HG ARG 83 13.170 -2.041 11.654 629 HD2 ARG 83 1HD ARG 83 12.439 -1.101 13.821 630 HD3 ARG 83 2HD ARG 83 13.404 -2.557 14.009 631 HE ARG 83 HE ARG 83 15.131 -1.356 14.992 632 HH11 ARG 83 1HH1 ARG 83 12.597 0.976 14.052 633 HH12 ARG 83 2HH1 ARG 83 13.438 2.282 14.836 634 HH21 ARG 83 1HH2 ARG 83 16.085 0.375 16.009 635 HH22 ARG 83 2HH2 ARG 83 15.341 1.943 15.955 636 H ASN 84 H ASN 84 17.323 -3.998 10.223 637 HA ASN 84 HA ASN 84 19.742 -2.737 11.025 638 HB2 ASN 84 1HB ASN 84 19.170 -5.199 11.109 639 HB3 ASN 84 2HB ASN 84 19.458 -5.271 9.366 640 HD21 ASN 84 2HD2 ASN 84 21.620 -5.752 8.758 641 HD22 ASN 84 1HD2 ASN 84 22.974 -5.543 9.855 642 H GLU 85 H GLU 85 18.293 -2.980 7.775 643 HA GLU 85 HA GLU 85 20.342 -1.306 6.596 644 HB2 GLU 85 1HB GLU 85 21.274 -2.936 5.037 645 HB3 GLU 85 2HB GLU 85 21.620 -3.365 6.702 646 HG2 GLU 85 1HG GLU 85 19.450 -4.905 6.445 647 HG3 GLU 85 2HG GLU 85 19.801 -4.730 4.725 648 H HIS 86 H HIS 86 19.499 -0.161 4.999 649 HA HIS 86 HA HIS 86 16.859 -0.556 3.973 650 HB2 HIS 86 1HB HIS 86 17.393 1.317 2.531 651 HB3 HIS 86 2HB HIS 86 17.966 1.618 4.171 652 HD2 HIS 86 2HD HIS 86 20.551 2.018 4.510 653 HE1 HIS 86 1HE HIS 86 21.830 1.422 0.493 654 HE2 HIS 86 2HE HIS 86 22.557 2.183 2.813 655 H GLY 87 H GLY 87 19.809 -1.975 3.008 656 HA2 GLY 87 1HA GLY 87 19.226 -2.566 0.226 657 HA3 GLY 87 2HA GLY 87 20.476 -3.329 1.234 658 H ARG 88 H ARG 88 18.120 -4.043 3.163 659 HA ARG 88 HA ARG 88 17.417 -6.627 1.944 660 HB2 ARG 88 1HB ARG 88 18.264 -6.599 4.169 661 HB3 ARG 88 2HB ARG 88 17.105 -5.395 4.701 662 HG2 ARG 88 1HG ARG 88 16.788 -7.779 5.511 663 HG3 ARG 88 2HG ARG 88 15.385 -6.930 4.914 664 HD2 ARG 88 1HD ARG 88 15.720 -8.172 2.672 665 HD3 ARG 88 2HD ARG 88 16.978 -9.098 3.486 666 HE ARG 88 HE ARG 88 15.348 -10.392 4.424 667 HH11 ARG 88 1HH1 ARG 88 13.706 -7.339 3.568 668 HH12 ARG 88 2HH1 ARG 88 12.157 -7.966 4.065 669 HH21 ARG 88 1HH2 ARG 88 13.369 -11.127 4.882 670 HH22 ARG 88 2HH2 ARG 88 11.976 -10.083 4.892 671 H ARG 89 H ARG 89 16.310 -4.552 0.460 672 HA ARG 89 HA ARG 89 13.554 -4.179 1.419 673 HB2 ARG 89 1HB ARG 89 13.387 -2.259 0.012 674 HB3 ARG 89 2HB ARG 89 14.801 -2.178 1.052 675 HG2 ARG 89 1HG ARG 89 16.278 -2.734 -0.814 676 HG3 ARG 89 2HG ARG 89 14.875 -2.859 -1.906 677 HD2 ARG 89 1HD ARG 89 14.327 -0.515 -1.543 678 HD3 ARG 89 2HD ARG 89 15.579 -0.348 -0.323 679 HE ARG 89 HE ARG 89 15.932 -0.514 -3.259 680 HH11 ARG 89 1HH1 ARG 89 17.591 -0.417 -0.140 681 HH12 ARG 89 2HH1 ARG 89 19.048 0.248 -0.823 682 HH21 ARG 89 1HH2 ARG 89 17.870 0.242 -4.103 683 HH22 ARG 89 2HH2 ARG 89 19.223 0.536 -3.055 684 H ARG 90 H ARG 90 11.751 -4.362 0.337 685 HA ARG 90 HA ARG 90 11.640 -5.668 -2.355 686 HB2 ARG 90 1HB ARG 90 9.880 -6.226 0.075 687 HB3 ARG 90 2HB ARG 90 9.597 -6.867 -1.534 688 HG2 ARG 90 1HG ARG 90 11.986 -7.496 0.260 689 HG3 ARG 90 2HG ARG 90 10.597 -8.537 -0.024 690 HD2 ARG 90 1HD ARG 90 12.611 -7.682 -2.145 691 HD3 ARG 90 2HD ARG 90 12.576 -9.239 -1.314 692 HE ARG 90 HE ARG 90 10.019 -8.939 -2.424 693 HH11 ARG 90 1HH1 ARG 90 13.297 -9.162 -3.765 694 HH12 ARG 90 2HH1 ARG 90 12.723 -9.890 -5.236 695 HH21 ARG 90 1HH2 ARG 90 9.380 -9.907 -4.248 696 HH22 ARG 90 2HH2 ARG 90 10.509 -10.314 -5.515 697 H LYS 91 H LYS 91 9.975 -4.901 -3.682 698 HA LYS 91 HA LYS 91 9.039 -2.218 -3.257 699 HB2 LYS 91 1HB LYS 91 8.864 -4.352 -5.335 700 HB3 LYS 91 2HB LYS 91 7.490 -3.281 -5.321 701 HG2 LYS 91 1HG LYS 91 10.365 -2.283 -5.439 702 HG3 LYS 91 2HG LYS 91 9.406 -2.640 -6.877 703 HD2 LYS 91 1HD LYS 91 8.577 -0.630 -4.757 704 HD3 LYS 91 2HD LYS 91 9.456 -0.198 -6.217 705 HE2 LYS 91 1HE LYS 91 7.655 -0.679 -7.635 706 HE3 LYS 91 2HE LYS 91 6.864 -1.737 -6.470 707 HZ1 LYS 91 3HZ LYS 91 5.780 0.458 -6.705 708 HZ2 LYS 91 1HZ LYS 91 6.211 0.140 -5.165 709 HZ3 LYS 91 2HZ LYS 91 7.102 1.188 -6.078 710 H ILE 92 H ILE 92 7.088 -1.332 -2.735 711 HA ILE 92 HA ILE 92 4.770 -3.137 -2.245 712 HB ILE 92 HB ILE 92 4.030 -2.021 -0.324 713 HG12 ILE 92 1HG1 ILE 92 6.245 -0.037 -0.749 714 HG13 ILE 92 2HG1 ILE 92 4.515 0.257 -0.863 715 HG21 ILE 92 1HG2 ILE 92 5.845 -3.728 -0.029 716 HG22 ILE 92 2HG2 ILE 92 7.010 -2.396 0.128 717 HG23 ILE 92 3HG2 ILE 92 5.685 -2.571 1.299 718 HD11 ILE 92 3HD1 ILE 92 5.353 1.211 1.174 719 HD12 ILE 92 1HD1 ILE 92 4.349 -0.195 1.606 720 HD13 ILE 92 2HD1 ILE 92 6.126 -0.302 1.655 721 H LYS 93 H LYS 93 2.677 -1.922 -2.253 722 HA LYS 93 HA LYS 93 2.577 0.626 -3.668 723 HB2 LYS 93 1HB LYS 93 1.349 -0.094 -5.599 724 HB3 LYS 93 2HB LYS 93 2.836 -1.032 -5.550 725 HG2 LYS 93 1HG LYS 93 1.647 -2.992 -4.720 726 HG3 LYS 93 2HG LYS 93 0.154 -2.075 -4.505 727 HD2 LYS 93 1HD LYS 93 -0.036 -1.683 -6.900 728 HD3 LYS 93 2HD LYS 93 1.459 -2.601 -7.198 729 HE2 LYS 93 1HE LYS 93 0.482 -4.647 -6.440 730 HE3 LYS 93 2HE LYS 93 -0.874 -3.815 -5.665 731 HZ1 LYS 93 3HZ LYS 93 -1.465 -4.872 -7.800 732 HZ2 LYS 93 1HZ LYS 93 -1.794 -3.275 -7.769 733 HZ3 LYS 93 2HZ LYS 93 -0.481 -3.835 -8.599 734 H ARG 94 H ARG 94 0.365 1.401 -3.990 735 HA ARG 94 HA ARG 94 -1.653 0.374 -2.030 736 HB2 ARG 94 1HB ARG 94 -1.350 3.077 -3.413 737 HB3 ARG 94 2HB ARG 94 -2.826 2.551 -2.589 738 HG2 ARG 94 1HG ARG 94 -1.547 2.208 -0.505 739 HG3 ARG 94 2HG ARG 94 -0.086 2.826 -1.292 740 HD2 ARG 94 1HD ARG 94 -1.008 4.613 0.002 741 HD3 ARG 94 2HD ARG 94 -1.287 5.006 -1.684 742 HE ARG 94 HE ARG 94 -3.308 4.104 0.349 743 HH11 ARG 94 1HH1 ARG 94 -2.814 5.393 -2.930 744 HH12 ARG 94 2HH1 ARG 94 -4.492 5.813 -3.088 745 HH21 ARG 94 1HH2 ARG 94 -5.366 4.778 0.123 746 HH22 ARG 94 2HH2 ARG 94 -5.935 5.432 -1.396 747 H ASP 95 H ASP 95 -3.735 -0.067 -2.783 748 HA ASP 95 HA ASP 95 -4.451 0.279 -5.597 749 HB2 ASP 95 1HB ASP 95 -3.275 -2.176 -4.910 750 HB3 ASP 95 2HB ASP 95 -5.013 -2.491 -4.777 751 H ILE 96 H ILE 96 -6.703 -0.898 -5.902 752 HA ILE 96 HA ILE 96 -8.494 -0.167 -3.606 753 HB ILE 96 HB ILE 96 -8.855 0.526 -6.535 754 HG12 ILE 96 1HG1 ILE 96 -7.140 1.973 -5.473 755 HG13 ILE 96 2HG1 ILE 96 -8.574 2.850 -5.969 756 HG21 ILE 96 1HG2 ILE 96 -11.042 0.180 -5.570 757 HG22 ILE 96 2HG2 ILE 96 -10.607 1.036 -4.070 758 HG23 ILE 96 3HG2 ILE 96 -10.809 1.922 -5.598 759 HD11 ILE 96 3HD1 ILE 96 -7.673 3.506 -3.701 760 HD12 ILE 96 1HD1 ILE 96 -9.380 3.007 -3.710 761 HD13 ILE 96 2HD1 ILE 96 -8.153 1.888 -3.124 762 H ILE 97 H ILE 97 -10.213 -1.397 -3.314 763 HA ILE 97 HA ILE 97 -10.593 -3.869 -4.945 764 HB ILE 97 HB ILE 97 -11.887 -3.085 -2.336 765 HG12 ILE 97 1HG1 ILE 97 -10.438 -5.176 -1.611 766 HG13 ILE 97 2HG1 ILE 97 -9.389 -4.666 -2.922 767 HG21 ILE 97 1HG2 ILE 97 -13.311 -4.551 -3.550 768 HG22 ILE 97 2HG2 ILE 97 -11.963 -5.658 -3.928 769 HG23 ILE 97 3HG2 ILE 97 -12.560 -5.478 -2.258 770 HD11 ILE 97 3HD1 ILE 97 -9.056 -3.786 -0.453 771 HD12 ILE 97 1HD1 ILE 97 -8.794 -2.680 -1.819 772 HD13 ILE 97 2HD1 ILE 97 -10.302 -2.613 -0.868 773 H ASP 98 H ASP 98 -12.377 -4.237 -6.124 774 HA ASP 98 HA ASP 98 -14.326 -2.017 -6.491 775 HB2 ASP 98 1HB ASP 98 -12.889 -2.803 -8.389 776 HB3 ASP 98 2HB ASP 98 -13.693 -4.369 -8.306 777 H ILE 99 H ILE 99 -14.208 -5.191 -5.281 778 HA ILE 99 HA ILE 99 -15.632 -6.511 -4.165 779 HB ILE 99 HB ILE 99 -17.838 -4.496 -4.604 780 HG12 ILE 99 1HG1 ILE 99 -15.911 -3.455 -3.435 781 HG13 ILE 99 2HG1 ILE 99 -17.350 -3.561 -2.446 782 HG21 ILE 99 1HG2 ILE 99 -18.711 -6.691 -3.940 783 HG22 ILE 99 2HG2 ILE 99 -17.624 -6.727 -2.548 784 HG23 ILE 99 3HG2 ILE 99 -18.904 -5.504 -2.650 785 HD11 ILE 99 3HD1 ILE 99 -15.187 -4.084 -1.258 786 HD12 ILE 99 1HD1 ILE 99 -16.423 -5.346 -1.114 787 HD13 ILE 99 2HD1 ILE 99 -15.061 -5.562 -2.231 788 HA PRO 100 HA PRO 100 -17.112 -8.780 -7.701 789 HB2 PRO 100 1HB PRO 100 -17.529 -11.230 -6.588 790 HB3 PRO 100 2HB PRO 100 -15.898 -10.522 -6.765 791 HG2 PRO 100 1HG PRO 100 -17.687 -10.484 -4.308 792 HG3 PRO 100 2HG PRO 100 -15.964 -10.970 -4.409 793 HD2 PRO 100 1HD PRO 100 -16.724 -8.451 -3.652 794 HD3 PRO 100 2HD PRO 100 -15.248 -8.735 -4.617 795 H LYS 101 H LYS 101 -18.981 -10.046 -8.447 796 HA LYS 101 HA LYS 101 -21.494 -8.871 -7.758 797 HB2 LYS 101 1HB LYS 101 -22.422 -10.355 -9.429 798 HB3 LYS 101 2HB LYS 101 -20.911 -9.651 -10.004 799 HG2 LYS 101 1HG LYS 101 -19.717 -11.780 -9.454 800 HG3 LYS 101 2HG LYS 101 -21.248 -12.481 -8.894 801 HD2 LYS 101 1HD LYS 101 -22.217 -12.177 -11.156 802 HD3 LYS 101 2HD LYS 101 -20.687 -11.469 -11.717 803 HE2 LYS 101 1HE LYS 101 -19.506 -13.585 -11.148 804 HE3 LYS 101 2HE LYS 101 -21.031 -14.290 -10.593 805 HZ1 LYS 101 3HZ LYS 101 -20.524 -14.951 -12.868 806 HZ2 LYS 101 1HZ LYS 101 -21.886 -14.052 -12.859 807 HZ3 LYS 101 2HZ LYS 101 -20.476 -13.400 -13.371 808 H LYS 102 H LYS 102 -19.889 -11.424 -6.194 809 HA LYS 102 HA LYS 102 -22.296 -12.563 -4.908 810 HB2 LYS 102 1HB LYS 102 -20.256 -13.884 -5.478 811 HB3 LYS 102 2HB LYS 102 -19.326 -12.932 -4.311 812 HG2 LYS 102 1HG LYS 102 -20.806 -13.736 -2.480 813 HG3 LYS 102 2HG LYS 102 -21.753 -14.671 -3.645 814 HD2 LYS 102 1HD LYS 102 -18.789 -15.075 -3.036 815 HD3 LYS 102 2HD LYS 102 -20.115 -16.025 -2.348 816 HE2 LYS 102 1HE LYS 102 -20.782 -16.745 -4.646 817 HE3 LYS 102 2HE LYS 102 -19.412 -15.849 -5.316 818 HZ1 LYS 102 3HZ LYS 102 -18.869 -18.187 -5.014 819 HZ2 LYS 102 1HZ LYS 102 -17.927 -17.285 -4.030 820 HZ3 LYS 102 2HZ LYS 102 -19.195 -18.117 -3.415 821 H GLY 103 H GLY 103 -19.894 -10.073 -4.246 822 HA2 GLY 103 1HA GLY 103 -20.756 -9.601 -1.455 823 HA3 GLY 103 2HA GLY 103 -19.498 -8.730 -2.366 824 H VAL 104 H VAL 104 -20.983 -7.942 -4.622 825 HA VAL 104 HA VAL 104 -22.679 -5.775 -3.619 826 HB VAL 104 HB VAL 104 -22.222 -6.749 -6.473 827 HG11 VAL 104 1HG1 VAL 104 -24.358 -5.513 -6.322 828 HG12 VAL 104 2HG1 VAL 104 -23.553 -4.198 -5.439 829 HG13 VAL 104 3HG1 VAL 104 -23.143 -4.525 -7.135 830 HG21 VAL 104 3HG2 VAL 104 -20.803 -4.701 -6.660 831 HG22 VAL 104 1HG2 VAL 104 -21.000 -4.425 -4.915 832 HG23 VAL 104 2HG2 VAL 104 -20.154 -5.869 -5.513 833 H SER 105 H SER 105 -24.701 -6.102 -2.925 834 HA SER 105 HA SER 105 -26.689 -7.673 -4.345 835 HB2 SER 105 1HB SER 105 -25.289 -9.415 -3.102 836 HB3 SER 105 2HB SER 105 -25.879 -8.688 -1.599 837 HG SER 105 HG SER 105 -27.172 -10.479 -2.322 838 H GLY 106 H GLY 106 -28.782 -7.723 -3.095 839 HA2 GLY 106 1HA GLY 106 -29.341 -5.048 -1.970 840 HA3 GLY 106 2HA GLY 106 -30.524 -6.278 -2.451 841 HA PRO 107 HA PRO 107 -30.012 -6.209 2.245 842 HB2 PRO 107 1HB PRO 107 -32.302 -4.955 3.016 843 HB3 PRO 107 2HB PRO 107 -30.847 -4.048 2.501 844 HG2 PRO 107 1HG PRO 107 -33.274 -4.776 0.821 845 HG3 PRO 107 2HG PRO 107 -32.504 -3.166 1.008 846 HD2 PRO 107 1HD PRO 107 -31.925 -4.814 -1.090 847 HD3 PRO 107 2HD PRO 107 -30.671 -3.781 -0.341 848 H SER 108 H SER 108 -31.244 -7.494 3.773 849 HA SER 108 HA SER 108 -32.486 -9.806 2.675 850 HB2 SER 108 1HB SER 108 -32.527 -8.827 5.552 851 HB3 SER 108 2HB SER 108 -32.771 -10.488 4.990 852 HG SER 108 HG SER 108 -30.617 -10.135 5.734 853 H SER 109 H SER 109 -33.958 -6.807 3.137 854 HA SER 109 HA SER 109 -36.592 -7.604 4.018 855 HB2 SER 109 1HB SER 109 -35.746 -5.106 2.508 856 HB3 SER 109 2HB SER 109 -37.215 -5.324 3.474 857 HG SER 109 HG SER 109 -35.587 -4.208 4.652 858 H GLY 110 H GLY 110 -35.103 -8.101 0.997 859 HA2 GLY 110 1HA GLY 110 -37.400 -9.235 -0.249 860 HA3 GLY 110 2HA GLY 110 -37.176 -7.611 -0.897 861 H5'1 ATP 201 H5" ATP 111 11.500 -14.670 5.870 862 H5'2 ATP 201 H5' ATP 111 11.415 -13.021 6.485 863 H4' ATP 201 H4' ATP 111 9.483 -14.452 7.125 864 H3' ATP 201 H3' ATP 111 9.442 -15.400 4.527 865 HO3' ATP 201 H3T ATP 111 7.136 -15.909 5.140 866 H2' ATP 201 H2' ATP 111 8.764 -13.332 3.560 867 HO2' ATP 201 2HO ATP 111 7.138 -14.838 2.906 868 H1' ATP 201 H1' ATP 111 6.819 -12.999 5.855 869 H8 ATP 201 8H ATP 111 9.474 -10.872 3.910 870 HN61 ATP 201 2H6 ATP 111 6.535 -6.973 3.291 871 HN62 ATP 201 1H6 ATP 111 4.877 -6.661 3.802 872 H2 ATP 201 2H ATP 111 3.450 -10.094 6.027 Start of MODEL 20 1 HA PRO 1 HA PRO 1 -32.070 19.309 -5.707 2 HB2 PRO 1 1HB PRO 1 -30.890 16.780 -4.538 3 HB3 PRO 1 2HB PRO 1 -30.584 17.542 -6.129 4 HG2 PRO 1 1HG PRO 1 -29.134 17.926 -3.656 5 HG3 PRO 1 2HG PRO 1 -28.889 18.843 -5.172 6 HD2 PRO 1 1HD PRO 1 -29.844 20.002 -2.843 7 HD3 PRO 1 2HD PRO 1 -30.216 20.590 -4.483 8 H SER 2 H SER 2 -33.070 17.073 -6.687 9 HA SER 2 HA SER 2 -35.715 16.717 -5.559 10 HB2 SER 2 1HB SER 2 -35.884 14.973 -7.349 11 HB3 SER 2 2HB SER 2 -35.418 16.579 -7.924 12 HG SER 2 HG SER 2 -34.121 14.893 -8.850 13 H SER 3 H SER 3 -32.669 15.081 -5.044 14 HA SER 3 HA SER 3 -33.816 12.837 -3.523 15 HB2 SER 3 1HB SER 3 -31.389 12.323 -3.171 16 HB3 SER 3 2HB SER 3 -31.865 12.428 -4.870 17 HG SER 3 HG SER 3 -29.910 13.569 -4.487 18 H GLY 4 H GLY 4 -33.880 15.956 -2.777 19 HA2 GLY 4 1HA GLY 4 -34.185 17.049 -0.739 20 HA3 GLY 4 2HA GLY 4 -33.663 15.588 0.125 21 H SER 5 H SER 5 -32.021 16.181 1.377 22 HA SER 5 HA SER 5 -29.913 18.055 0.449 23 HB2 SER 5 1HB SER 5 -30.364 16.771 3.166 24 HB3 SER 5 2HB SER 5 -29.209 18.060 2.785 25 HG SER 5 HG SER 5 -31.163 18.879 3.706 26 H SER 6 H SER 6 -30.256 14.954 -0.260 27 HA SER 6 HA SER 6 -27.981 13.617 0.842 28 HB2 SER 6 1HB SER 6 -30.004 12.541 -0.160 29 HB3 SER 6 2HB SER 6 -29.412 13.010 -1.765 30 HG SER 6 HG SER 6 -28.787 10.851 -1.144 31 H GLY 7 H GLY 7 -25.922 13.300 0.178 32 HA2 GLY 7 1HA GLY 7 -24.703 13.735 -2.297 33 HA3 GLY 7 2HA GLY 7 -24.604 15.272 -1.463 34 H PHE 8 H PHE 8 -22.284 14.118 -2.117 35 HA PHE 8 HA PHE 8 -21.191 12.730 0.272 36 HB2 PHE 8 1HB PHE 8 -19.559 11.827 -1.251 37 HB3 PHE 8 2HB PHE 8 -21.174 11.479 -1.822 38 HD1 PHE 8 1HD PHE 8 -18.075 13.408 -2.457 39 HD2 PHE 8 2HD PHE 8 -22.015 12.441 -3.921 40 HE1 PHE 8 1HE PHE 8 -17.488 14.363 -4.671 41 HE2 PHE 8 2HE PHE 8 -21.424 13.398 -6.136 42 HZ PHE 8 HZ PHE 8 -19.162 14.363 -6.513 43 H LEU 9 H LEU 9 -18.924 13.132 0.753 44 HA LEU 9 HA LEU 9 -17.673 15.662 0.029 45 HB2 LEU 9 1HB LEU 9 -19.437 15.544 2.262 46 HB3 LEU 9 2HB LEU 9 -17.836 15.481 2.964 47 HG LEU 9 HG LEU 9 -18.755 17.593 0.967 48 HD11 LEU 9 1HD1 LEU 9 -20.050 17.714 3.075 49 HD12 LEU 9 2HD1 LEU 9 -18.538 17.762 4.008 50 HD13 LEU 9 3HD1 LEU 9 -18.962 19.101 2.917 51 HD21 LEU 9 3HD2 LEU 9 -16.806 18.905 1.832 52 HD22 LEU 9 1HD2 LEU 9 -16.264 17.461 2.712 53 HD23 LEU 9 2HD2 LEU 9 -16.344 17.468 0.928 54 H ASP 10 H ASP 10 -15.577 15.901 1.220 55 HA ASP 10 HA ASP 10 -14.211 13.330 1.843 56 HB2 ASP 10 1HB ASP 10 -13.540 15.202 -0.453 57 HB3 ASP 10 2HB ASP 10 -12.434 13.983 0.169 58 H LYS 11 H LYS 11 -12.456 13.486 3.092 59 HA LYS 11 HA LYS 11 -11.792 15.997 4.453 60 HB2 LYS 11 1HB LYS 11 -11.120 13.048 4.727 61 HB3 LYS 11 2HB LYS 11 -10.079 14.210 5.502 62 HG2 LYS 11 1HG LYS 11 -12.703 15.081 6.180 63 HG3 LYS 11 2HG LYS 11 -12.764 13.316 6.267 64 HD2 LYS 11 1HD LYS 11 -10.750 13.377 7.784 65 HD3 LYS 11 2HD LYS 11 -10.741 15.142 7.638 66 HE2 LYS 11 1HE LYS 11 -11.779 14.624 9.726 67 HE3 LYS 11 2HE LYS 11 -13.030 15.230 8.639 68 HZ1 LYS 11 3HZ LYS 11 -13.754 13.258 9.862 69 HZ2 LYS 11 1HZ LYS 11 -13.722 12.921 8.267 70 HZ3 LYS 11 2HZ LYS 11 -12.537 12.361 9.249 71 HA PRO 12 HA PRO 12 -8.206 17.177 2.207 72 HB2 PRO 12 1HB PRO 12 -6.430 18.061 4.096 73 HB3 PRO 12 2HB PRO 12 -7.944 18.905 3.685 74 HG2 PRO 12 1HG PRO 12 -7.413 16.973 5.958 75 HG3 PRO 12 2HG PRO 12 -8.228 18.569 6.047 76 HD2 PRO 12 1HD PRO 12 -9.599 16.217 5.915 77 HD3 PRO 12 2HD PRO 12 -10.233 17.680 5.151 78 H THR 13 H THR 13 -5.736 16.935 2.159 79 HA THR 13 HA THR 13 -4.598 14.373 2.881 80 HB THR 13 HB THR 13 -6.392 13.733 1.190 81 HG1 THR 13 1HG THR 13 -4.862 12.273 1.228 82 HG21 THR 13 3HG2 THR 13 -6.199 14.326 -1.079 83 HG22 THR 13 1HG2 THR 13 -6.062 15.850 -0.214 84 HG23 THR 13 2HG2 THR 13 -4.600 15.073 -0.862 85 H LEU 14 H LEU 14 -2.747 13.833 1.481 86 HA LEU 14 HA LEU 14 -1.072 16.253 0.918 87 HB2 LEU 14 1HB LEU 14 -0.173 13.638 2.185 88 HB3 LEU 14 2HB LEU 14 0.793 15.077 1.923 89 HG LEU 14 HG LEU 14 -1.505 15.916 3.469 90 HD11 LEU 14 1HD1 LEU 14 -1.828 13.535 4.017 91 HD12 LEU 14 2HD1 LEU 14 -0.169 13.467 4.662 92 HD13 LEU 14 3HD1 LEU 14 -1.382 14.509 5.436 93 HD21 LEU 14 3HD2 LEU 14 0.184 16.470 5.162 94 HD22 LEU 14 1HD2 LEU 14 1.391 15.479 4.311 95 HD23 LEU 14 2HD2 LEU 14 0.730 16.939 3.540 96 H LEU 15 H LEU 15 -2.554 13.638 -0.506 97 HA LEU 15 HA LEU 15 -0.430 12.871 -2.383 98 HB2 LEU 15 1HB LEU 15 -3.409 12.349 -2.674 99 HB3 LEU 15 2HB LEU 15 -2.092 11.531 -3.484 100 HG LEU 15 HG LEU 15 -2.805 11.272 -0.546 101 HD11 LEU 15 1HD1 LEU 15 -4.240 10.047 -2.161 102 HD12 LEU 15 2HD1 LEU 15 -2.795 9.276 -2.856 103 HD13 LEU 15 3HD1 LEU 15 -3.268 8.934 -1.184 104 HD21 LEU 15 3HD2 LEU 15 -0.982 9.543 -0.481 105 HD22 LEU 15 1HD2 LEU 15 -0.443 10.095 -2.079 106 HD23 LEU 15 2HD2 LEU 15 -0.375 11.190 -0.674 107 H SER 16 H SER 16 -1.306 12.802 -4.769 108 HA SER 16 HA SER 16 -1.468 15.556 -5.744 109 HB2 SER 16 1HB SER 16 -0.969 12.831 -6.953 110 HB3 SER 16 2HB SER 16 -1.147 14.246 -7.924 111 HG SER 16 HG SER 16 1.081 13.818 -7.433 112 HA PRO 17 HA PRO 17 -5.761 15.396 -6.844 113 HB2 PRO 17 1HB PRO 17 -5.839 16.719 -9.247 114 HB3 PRO 17 2HB PRO 17 -5.538 17.531 -7.681 115 HG2 PRO 17 1HG PRO 17 -3.489 16.588 -9.715 116 HG3 PRO 17 2HG PRO 17 -3.583 18.182 -8.894 117 HD2 PRO 17 1HD PRO 17 -1.941 16.215 -7.988 118 HD3 PRO 17 2HD PRO 17 -2.811 17.299 -6.855 119 H GLU 18 H GLU 18 -3.359 14.001 -8.997 120 HA GLU 18 HA GLU 18 -5.281 12.583 -10.680 121 HB2 GLU 18 1HB GLU 18 -2.286 12.139 -10.364 122 HB3 GLU 18 2HB GLU 18 -3.323 11.554 -11.670 123 HG2 GLU 18 1HG GLU 18 -3.821 13.968 -12.259 124 HG3 GLU 18 2HG GLU 18 -2.614 14.457 -11.061 125 H GLU 19 H GLU 19 -3.520 11.873 -7.704 126 HA GLU 19 HA GLU 19 -3.699 8.977 -7.759 127 HB2 GLU 19 1HB GLU 19 -3.171 11.104 -5.659 128 HB3 GLU 19 2HB GLU 19 -3.353 9.431 -5.195 129 HG2 GLU 19 1HG GLU 19 -1.323 10.435 -7.243 130 HG3 GLU 19 2HG GLU 19 -1.001 10.261 -5.518 131 H LEU 20 H LEU 20 -5.454 11.524 -6.076 132 HA LEU 20 HA LEU 20 -7.404 9.928 -4.732 133 HB2 LEU 20 1HB LEU 20 -7.562 12.826 -5.648 134 HB3 LEU 20 2HB LEU 20 -8.490 12.127 -4.335 135 HG LEU 20 HG LEU 20 -5.448 12.058 -4.162 136 HD11 LEU 20 1HD1 LEU 20 -6.122 14.302 -4.925 137 HD12 LEU 20 2HD1 LEU 20 -7.108 14.484 -3.458 138 HD13 LEU 20 3HD1 LEU 20 -5.329 14.274 -3.340 139 HD21 LEU 20 3HD2 LEU 20 -5.852 12.140 -1.789 140 HD22 LEU 20 1HD2 LEU 20 -7.594 12.398 -2.040 141 HD23 LEU 20 2HD2 LEU 20 -6.840 10.852 -2.490 142 H LYS 21 H LYS 21 -7.634 11.875 -7.726 143 HA LYS 21 HA LYS 21 -10.238 10.945 -8.524 144 HB2 LYS 21 1HB LYS 21 -7.904 12.185 -9.964 145 HB3 LYS 21 2HB LYS 21 -9.153 11.420 -10.919 146 HG2 LYS 21 1HG LYS 21 -9.496 13.855 -10.619 147 HG3 LYS 21 2HG LYS 21 -10.866 12.848 -10.157 148 HD2 LYS 21 1HD LYS 21 -10.413 13.181 -7.785 149 HD3 LYS 21 2HD LYS 21 -8.912 14.046 -8.155 150 HE2 LYS 21 1HE LYS 21 -10.214 15.784 -9.365 151 HE3 LYS 21 2HE LYS 21 -11.711 14.920 -8.996 152 HZ1 LYS 21 3HZ LYS 21 -11.320 16.720 -7.427 153 HZ2 LYS 21 1HZ LYS 21 -11.268 15.295 -6.633 154 HZ3 LYS 21 2HZ LYS 21 -9.880 16.095 -6.975 155 H ALA 22 H ALA 22 -7.019 9.407 -9.166 156 HA ALA 22 HA ALA 22 -8.132 7.296 -10.767 157 HB1 ALA 22 1HB ALA 22 -5.750 7.856 -10.795 158 HB2 ALA 22 2HB ALA 22 -5.582 7.363 -9.095 159 HB3 ALA 22 3HB ALA 22 -5.979 6.160 -10.338 160 H ALA 23 H ALA 23 -7.586 7.487 -7.218 161 HA ALA 23 HA ALA 23 -8.581 4.884 -6.585 162 HB1 ALA 23 1HB ALA 23 -7.302 6.332 -5.023 163 HB2 ALA 23 2HB ALA 23 -8.662 7.475 -4.958 164 HB3 ALA 23 3HB ALA 23 -8.852 5.836 -4.315 165 H SER 24 H SER 24 -10.295 8.017 -6.748 166 HA SER 24 HA SER 24 -12.888 7.050 -6.086 167 HB2 SER 24 1HB SER 24 -12.074 9.410 -6.058 168 HB3 SER 24 2HB SER 24 -12.164 9.430 -7.830 169 HG SER 24 HG SER 24 -14.076 10.279 -6.796 170 H ARG 25 H ARG 25 -11.338 7.350 -9.314 171 HA ARG 25 HA ARG 25 -13.586 6.441 -10.835 172 HB2 ARG 25 1HB ARG 25 -10.600 6.707 -11.307 173 HB3 ARG 25 2HB ARG 25 -11.656 6.036 -12.521 174 HG2 ARG 25 1HG ARG 25 -12.077 8.801 -11.316 175 HG3 ARG 25 2HG ARG 25 -11.164 8.477 -12.793 176 HD2 ARG 25 1HD ARG 25 -13.191 7.469 -13.820 177 HD3 ARG 25 2HD ARG 25 -14.117 7.871 -12.357 178 HE ARG 25 HE ARG 25 -12.847 10.231 -13.272 179 HH11 ARG 25 1HH1 ARG 25 -15.452 8.091 -14.349 180 HH12 ARG 25 2HH1 ARG 25 -16.263 9.363 -15.213 181 HH21 ARG 25 1HH2 ARG 25 -13.942 11.824 -14.408 182 HH22 ARG 25 2HH2 ARG 25 -15.418 11.446 -15.243 183 H GLY 26 H GLY 26 -11.357 4.689 -8.836 184 HA2 GLY 26 1HA GLY 26 -11.907 2.042 -10.057 185 HA3 GLY 26 2HA GLY 26 -11.034 2.380 -8.539 186 H ASN 27 H ASN 27 -12.433 3.420 -6.822 187 HA ASN 27 HA ASN 27 -15.273 3.195 -6.897 188 HB2 ASN 27 1HB ASN 27 -14.474 0.706 -6.548 189 HB3 ASN 27 2HB ASN 27 -14.107 1.210 -4.913 190 HD21 ASN 27 2HD2 ASN 27 -15.808 0.811 -3.475 191 HD22 ASN 27 1HD2 ASN 27 -17.499 0.782 -3.959 192 H GLY 28 H GLY 28 -12.455 4.301 -5.426 193 HA2 GLY 28 1HA GLY 28 -12.195 5.937 -3.746 194 HA3 GLY 28 2HA GLY 28 -13.829 5.593 -3.118 195 H GLU 29 H GLU 29 -12.231 2.717 -3.699 196 HA GLU 29 HA GLU 29 -11.637 2.137 -0.881 197 HB2 GLU 29 1HB GLU 29 -12.299 0.649 -3.317 198 HB3 GLU 29 2HB GLU 29 -10.841 0.032 -2.599 199 HG2 GLU 29 1HG GLU 29 -12.790 -1.146 -1.688 200 HG3 GLU 29 2HG GLU 29 -12.011 -0.217 -0.412 201 H TYR 30 H TYR 30 -9.591 0.553 -0.745 202 HA TYR 30 HA TYR 30 -7.210 1.252 -2.181 203 HB2 TYR 30 1HB TYR 30 -6.029 2.419 -0.396 204 HB3 TYR 30 2HB TYR 30 -7.426 3.328 -0.936 205 HD1 TYR 30 2HD TYR 30 -9.534 3.320 0.476 206 HD2 TYR 30 1HD TYR 30 -5.882 1.498 1.849 207 HE1 TYR 30 2HE TYR 30 -10.417 3.324 2.815 208 HE2 TYR 30 1HE TYR 30 -6.763 1.462 4.177 209 HH TYR 30 HH TYR 30 -8.516 2.017 5.566 210 H ALA 31 H ALA 31 -5.447 0.036 -1.660 211 HA ALA 31 HA ALA 31 -5.328 -1.679 0.721 212 HB1 ALA 31 1HB ALA 31 -6.608 -3.156 -0.628 213 HB2 ALA 31 2HB ALA 31 -5.733 -2.732 -2.110 214 HB3 ALA 31 3HB ALA 31 -4.948 -3.706 -0.839 215 H TRP 32 H TRP 32 -3.298 -2.709 0.971 216 HA TRP 32 HA TRP 32 -1.016 -1.542 -0.585 217 HB2 TRP 32 1HB TRP 32 -1.285 -2.329 2.331 218 HB3 TRP 32 2HB TRP 32 0.270 -2.241 1.534 219 HD1 TRP 32 HD TRP 32 -2.580 0.102 2.590 220 HE1 TRP 32 1HE TRP 32 -1.629 2.472 2.803 221 HE3 TRP 32 3HE TRP 32 2.095 -0.732 0.669 222 HZ2 TRP 32 2HZ TRP 32 0.936 3.811 2.334 223 HZ3 TRP 32 3HZ TRP 32 3.702 1.137 0.437 224 HH2 TRP 32 HH TRP 32 3.121 3.394 1.271 225 H TYR 33 H TYR 33 0.595 -2.868 -1.276 226 HA TYR 33 HA TYR 33 0.310 -5.823 -0.991 227 HB2 TYR 33 1HB TYR 33 0.502 -4.192 -3.544 228 HB3 TYR 33 2HB TYR 33 0.921 -5.889 -3.486 229 HD1 TYR 33 2HD TYR 33 -1.938 -3.519 -2.923 230 HD2 TYR 33 1HD TYR 33 -0.690 -7.546 -3.821 231 HE1 TYR 33 2HE TYR 33 -4.295 -4.147 -3.400 232 HE2 TYR 33 1HE TYR 33 -3.039 -8.174 -4.311 233 HH TYR 33 HH TYR 33 -5.222 -7.451 -4.443 234 H TYR 34 H TYR 34 2.190 -7.027 -1.405 235 HA TYR 34 HA TYR 34 4.786 -5.565 -1.656 236 HB2 TYR 34 1HB TYR 34 5.796 -7.014 -0.038 237 HB3 TYR 34 2HB TYR 34 4.417 -6.227 0.701 238 HD1 TYR 34 1HD TYR 34 2.334 -7.492 1.224 239 HD2 TYR 34 2HD TYR 34 5.881 -9.432 -0.278 240 HE1 TYR 34 1HE TYR 34 1.444 -9.690 1.970 241 HE2 TYR 34 2HE TYR 34 5.003 -11.630 0.473 242 HH TYR 34 HH TYR 34 3.271 -12.749 1.501 243 H GLU 35 H GLU 35 6.491 -6.743 -2.714 244 HA GLU 35 HA GLU 35 5.580 -8.740 -4.666 245 HB2 GLU 35 1HB GLU 35 8.357 -7.665 -4.016 246 HB3 GLU 35 2HB GLU 35 8.016 -8.924 -5.213 247 HG2 GLU 35 1HG GLU 35 6.325 -7.215 -6.222 248 HG3 GLU 35 2HG GLU 35 7.232 -6.013 -5.292 249 H GLY 36 H GLY 36 4.939 -10.632 -3.815 250 HA2 GLY 36 1HA GLY 36 6.607 -12.135 -1.865 251 HA3 GLY 36 2HA GLY 36 5.022 -12.591 -2.514 252 H ARG 37 H ARG 37 6.648 -14.578 -2.482 253 HA ARG 37 HA ARG 37 8.601 -14.762 -4.526 254 HB2 ARG 37 1HB ARG 37 8.256 -16.100 -2.347 255 HB3 ARG 37 2HB ARG 37 7.196 -17.156 -3.289 256 HG2 ARG 37 1HG ARG 37 9.068 -17.613 -4.862 257 HG3 ARG 37 2HG ARG 37 10.097 -16.486 -3.988 258 HD2 ARG 37 1HD ARG 37 9.049 -19.179 -3.074 259 HD3 ARG 37 2HD ARG 37 10.726 -18.716 -3.334 260 HE ARG 37 HE ARG 37 9.275 -18.539 -0.918 261 HH11 ARG 37 1HH1 ARG 37 11.577 -16.452 -2.646 262 HH12 ARG 37 2HH1 ARG 37 11.965 -15.567 -1.179 263 HH21 ARG 37 1HH2 ARG 37 9.951 -17.433 0.902 264 HH22 ARG 37 2HH2 ARG 37 11.186 -16.198 0.767 265 H ASN 38 H ASN 38 5.180 -15.487 -4.633 266 HA ASN 38 HA ASN 38 5.368 -16.558 -7.411 267 HB2 ASN 38 1HB ASN 38 3.161 -16.702 -5.335 268 HB3 ASN 38 2HB ASN 38 3.045 -17.366 -6.962 269 HD21 ASN 38 2HD2 ASN 38 3.008 -18.703 -4.225 270 HD22 ASN 38 1HD2 ASN 38 4.250 -19.934 -4.356 271 H GLY 39 H GLY 39 4.687 -13.598 -5.951 272 HA2 GLY 39 1HA GLY 39 4.317 -11.960 -8.024 273 HA3 GLY 39 2HA GLY 39 2.694 -12.634 -7.912 274 H TRP 40 H TRP 40 2.454 -10.133 -7.586 275 HA TRP 40 HA TRP 40 2.921 -8.985 -5.012 276 HB2 TRP 40 1HB TRP 40 0.743 -8.457 -7.067 277 HB3 TRP 40 2HB TRP 40 1.058 -7.458 -5.656 278 HD1 TRP 40 HD TRP 40 2.253 -8.091 -9.153 279 HE1 TRP 40 1HE TRP 40 4.091 -6.437 -9.786 280 HE3 TRP 40 3HE TRP 40 3.139 -6.073 -4.534 281 HZ2 TRP 40 2HZ TRP 40 5.628 -4.340 -8.486 282 HZ3 TRP 40 3HZ TRP 40 4.801 -4.253 -4.262 283 HH2 TRP 40 HH TRP 40 6.017 -3.352 -6.222 284 H TRP 41 H TRP 41 1.980 -9.315 -3.077 285 HA TRP 41 HA TRP 41 -0.742 -10.540 -2.945 286 HB2 TRP 41 1HB TRP 41 1.588 -11.172 -1.108 287 HB3 TRP 41 2HB TRP 41 -0.061 -11.791 -0.960 288 HD1 TRP 41 HD TRP 41 3.060 -13.064 -1.948 289 HE1 TRP 41 1HE TRP 41 2.966 -14.846 -3.799 290 HE3 TRP 41 3HE TRP 41 -1.795 -12.436 -3.418 291 HZ2 TRP 41 2HZ TRP 41 1.102 -15.674 -5.853 292 HZ3 TRP 41 3HZ TRP 41 -2.714 -13.722 -5.286 293 HH2 TRP 41 HH TRP 41 -1.280 -15.343 -6.549 294 H GLN 42 H GLN 42 -2.108 -9.873 -1.352 295 HA GLN 42 HA GLN 42 -1.728 -7.077 -0.622 296 HB2 GLN 42 1HB GLN 42 -3.856 -8.202 -1.539 297 HB3 GLN 42 2HB GLN 42 -4.081 -8.869 0.082 298 HG2 GLN 42 1HG GLN 42 -4.065 -6.504 0.981 299 HG3 GLN 42 2HG GLN 42 -3.922 -5.915 -0.676 300 HE21 GLN 42 2HE2 GLN 42 -5.811 -6.340 -2.180 301 HE22 GLN 42 1HE2 GLN 42 -7.386 -6.583 -1.441 302 H TYR 43 H TYR 43 -1.550 -6.174 1.406 303 HA TYR 43 HA TYR 43 -0.563 -7.756 3.629 304 HB2 TYR 43 1HB TYR 43 -1.230 -4.857 3.133 305 HB3 TYR 43 2HB TYR 43 -0.984 -5.410 4.779 306 HD1 TYR 43 1HD TYR 43 1.170 -6.504 5.463 307 HD2 TYR 43 2HD TYR 43 0.671 -4.502 1.686 308 HE1 TYR 43 1HE TYR 43 3.637 -6.295 5.250 309 HE2 TYR 43 2HE TYR 43 3.135 -4.244 1.483 310 HH TYR 43 HH TYR 43 5.346 -5.570 3.977 311 H ASP 44 H ASP 44 -1.423 -7.790 5.759 312 HA ASP 44 HA ASP 44 -4.205 -8.519 6.049 313 HB2 ASP 44 1HB ASP 44 -2.465 -9.489 7.439 314 HB3 ASP 44 2HB ASP 44 -1.983 -7.897 8.032 315 H GLU 45 H GLU 45 -5.821 -7.413 7.320 316 HA GLU 45 HA GLU 45 -6.073 -4.650 6.506 317 HB2 GLU 45 1HB GLU 45 -8.291 -4.841 7.679 318 HB3 GLU 45 2HB GLU 45 -8.013 -6.008 6.388 319 HG2 GLU 45 1HG GLU 45 -7.618 -7.804 7.954 320 HG3 GLU 45 2HG GLU 45 -7.537 -6.685 9.311 321 H ARG 46 H ARG 46 -4.838 -6.119 9.401 322 HA ARG 46 HA ARG 46 -5.143 -3.605 10.955 323 HB2 ARG 46 1HB ARG 46 -3.757 -6.107 11.894 324 HB3 ARG 46 2HB ARG 46 -4.477 -4.820 12.849 325 HG2 ARG 46 1HG ARG 46 -5.911 -7.032 11.338 326 HG3 ARG 46 2HG ARG 46 -5.912 -6.715 13.069 327 HD2 ARG 46 1HD ARG 46 -7.225 -4.623 12.680 328 HD3 ARG 46 2HD ARG 46 -7.163 -4.936 10.935 329 HE ARG 46 HE ARG 46 -8.838 -6.425 11.057 330 HH11 ARG 46 1HH1 ARG 46 -7.803 -6.036 14.431 331 HH12 ARG 46 2HH1 ARG 46 -9.170 -6.945 15.007 332 HH21 ARG 46 1HH2 ARG 46 -10.446 -7.503 11.793 333 HH22 ARG 46 2HH2 ARG 46 -10.691 -7.800 13.506 334 H THR 47 H THR 47 -2.928 -5.072 8.816 335 HA THR 47 HA THR 47 -0.605 -3.536 9.859 336 HB THR 47 HB THR 47 -0.762 -5.617 7.637 337 HG1 THR 47 1HG THR 47 -0.862 -6.413 9.764 338 HG21 THR 47 3HG2 THR 47 1.758 -5.433 7.768 339 HG22 THR 47 1HG2 THR 47 0.957 -4.046 7.014 340 HG23 THR 47 2HG2 THR 47 1.533 -3.920 8.685 341 H SER 48 H SER 48 -2.471 -3.910 6.769 342 HA SER 48 HA SER 48 -1.156 -1.821 5.381 343 HB2 SER 48 1HB SER 48 -3.053 -1.889 3.859 344 HB3 SER 48 2HB SER 48 -2.542 -3.524 4.303 345 HG SER 48 HG SER 48 -4.833 -3.299 4.389 346 H ARG 49 H ARG 49 -3.844 -1.633 7.678 347 HA ARG 49 HA ARG 49 -4.584 1.046 7.114 348 HB2 ARG 49 1HB ARG 49 -5.865 1.014 9.056 349 HB3 ARG 49 2HB ARG 49 -5.887 -0.617 8.418 350 HG2 ARG 49 1HG ARG 49 -5.636 -0.991 10.682 351 HG3 ARG 49 2HG ARG 49 -4.002 -1.156 10.077 352 HD2 ARG 49 1HD ARG 49 -4.226 0.052 12.284 353 HD3 ARG 49 2HD ARG 49 -3.336 0.917 11.060 354 HE ARG 49 HE ARG 49 -6.205 1.564 11.320 355 HH11 ARG 49 1HH1 ARG 49 -2.913 2.579 12.243 356 HH12 ARG 49 2HH1 ARG 49 -3.365 4.278 12.195 357 HH21 ARG 49 1HH2 ARG 49 -6.691 3.772 11.462 358 HH22 ARG 49 2HH2 ARG 49 -5.439 4.895 11.921 359 H GLU 50 H GLU 50 -1.801 -0.209 8.906 360 HA GLU 50 HA GLU 50 -1.238 2.291 10.310 361 HB2 GLU 50 1HB GLU 50 0.633 -0.004 9.586 362 HB3 GLU 50 2HB GLU 50 0.991 1.286 10.720 363 HG2 GLU 50 1HG GLU 50 -1.331 -0.649 11.131 364 HG3 GLU 50 2HG GLU 50 0.304 -0.969 11.687 365 H LEU 51 H LEU 51 -0.359 0.831 7.243 366 HA LEU 51 HA LEU 51 1.650 2.747 6.435 367 HB2 LEU 51 1HB LEU 51 0.055 0.844 4.688 368 HB3 LEU 51 2HB LEU 51 1.687 1.454 4.418 369 HG LEU 51 HG LEU 51 0.806 -0.575 6.523 370 HD11 LEU 51 1HD1 LEU 51 0.779 -1.395 4.226 371 HD12 LEU 51 2HD1 LEU 51 2.477 -0.906 4.015 372 HD13 LEU 51 3HD1 LEU 51 2.044 -2.175 5.191 373 HD21 LEU 51 3HD2 LEU 51 3.280 -0.858 6.902 374 HD22 LEU 51 1HD2 LEU 51 3.519 0.624 5.943 375 HD23 LEU 51 2HD2 LEU 51 2.635 0.684 7.477 376 H GLU 52 H GLU 52 -1.784 2.218 5.652 377 HA GLU 52 HA GLU 52 -2.123 4.484 3.947 378 HB2 GLU 52 1HB GLU 52 -3.709 2.694 3.989 379 HB3 GLU 52 2HB GLU 52 -4.086 2.958 5.685 380 HG2 GLU 52 1HG GLU 52 -4.495 5.232 3.722 381 HG3 GLU 52 2HG GLU 52 -5.605 3.889 3.667 382 H ASP 53 H ASP 53 -2.413 4.197 7.523 383 HA ASP 53 HA ASP 53 -3.587 6.792 7.898 384 HB2 ASP 53 1HB ASP 53 -3.643 4.807 9.444 385 HB3 ASP 53 2HB ASP 53 -1.958 5.093 9.843 386 H ALA 54 H ALA 54 -0.335 5.527 7.910 387 HA ALA 54 HA ALA 54 1.129 7.824 8.720 388 HB1 ALA 54 1HB ALA 54 2.051 5.634 8.758 389 HB2 ALA 54 2HB ALA 54 1.784 5.403 7.021 390 HB3 ALA 54 3HB ALA 54 3.016 6.573 7.589 391 H PHE 55 H PHE 55 0.357 6.832 5.272 392 HA PHE 55 HA PHE 55 1.539 9.275 4.266 393 HB2 PHE 55 1HB PHE 55 0.865 8.718 2.160 394 HB3 PHE 55 2HB PHE 55 1.135 7.165 2.905 395 HD1 PHE 55 2HD PHE 55 -1.656 9.591 2.085 396 HD2 PHE 55 1HD PHE 55 -0.438 5.487 2.537 397 HE1 PHE 55 2HE PHE 55 -3.841 8.848 1.205 398 HE2 PHE 55 1HE PHE 55 -2.600 4.743 1.562 399 HZ PHE 55 HZ PHE 55 -4.316 6.422 0.919 400 H SER 56 H SER 56 -1.489 8.526 5.651 401 HA SER 56 HA SER 56 -2.889 10.959 4.782 402 HB2 SER 56 1HB SER 56 -3.887 8.658 5.399 403 HB3 SER 56 2HB SER 56 -3.719 9.177 7.081 404 HG SER 56 HG SER 56 -5.793 9.675 6.135 405 H LYS 57 H LYS 57 -0.863 10.138 7.544 406 HA LYS 57 HA LYS 57 -1.614 12.447 9.184 407 HB2 LYS 57 1HB LYS 57 0.526 10.298 9.258 408 HB3 LYS 57 2HB LYS 57 0.569 11.659 10.381 409 HG2 LYS 57 1HG LYS 57 -1.350 11.009 11.528 410 HG3 LYS 57 2HG LYS 57 -1.979 10.055 10.187 411 HD2 LYS 57 1HD LYS 57 -1.166 8.583 12.002 412 HD3 LYS 57 2HD LYS 57 -0.296 8.343 10.502 413 HE2 LYS 57 1HE LYS 57 1.471 8.339 11.941 414 HE3 LYS 57 2HE LYS 57 1.466 10.029 11.471 415 HZ1 LYS 57 3HZ LYS 57 1.624 9.830 13.882 416 HZ2 LYS 57 1HZ LYS 57 0.205 10.542 13.505 417 HZ3 LYS 57 2HZ LYS 57 0.236 8.972 13.962 418 H GLY 58 H GLY 58 1.130 11.614 7.054 419 HA2 GLY 58 1HA GLY 58 2.051 13.531 5.718 420 HA3 GLY 58 2HA GLY 58 2.163 14.434 7.248 421 H LYS 59 H LYS 59 2.970 11.355 8.194 422 HA LYS 59 HA LYS 59 5.820 11.844 8.034 423 HB2 LYS 59 1HB LYS 59 5.987 9.475 8.903 424 HB3 LYS 59 2HB LYS 59 5.153 10.631 9.927 425 HG2 LYS 59 1HG LYS 59 3.012 9.732 9.463 426 HG3 LYS 59 2HG LYS 59 3.615 8.818 8.073 427 HD2 LYS 59 1HD LYS 59 3.148 7.413 10.078 428 HD3 LYS 59 2HD LYS 59 4.776 7.277 9.446 429 HE2 LYS 59 1HE LYS 59 5.609 8.789 11.242 430 HE3 LYS 59 2HE LYS 59 3.972 8.901 11.897 431 HZ1 LYS 59 3HZ LYS 59 5.264 7.216 13.060 432 HZ2 LYS 59 1HZ LYS 59 4.059 6.462 12.250 433 HZ3 LYS 59 2HZ LYS 59 5.585 6.414 11.674 434 H LYS 60 H LYS 60 7.362 10.530 7.002 435 HA LYS 60 HA LYS 60 6.529 9.694 4.259 436 HB2 LYS 60 1HB LYS 60 8.572 10.476 3.479 437 HB3 LYS 60 2HB LYS 60 8.028 11.671 4.644 438 HG2 LYS 60 1HG LYS 60 9.586 10.441 6.323 439 HG3 LYS 60 2HG LYS 60 10.292 9.689 4.883 440 HD2 LYS 60 1HD LYS 60 10.611 12.087 3.970 441 HD3 LYS 60 2HD LYS 60 10.090 12.655 5.556 442 HE2 LYS 60 1HE LYS 60 12.353 12.688 5.911 443 HE3 LYS 60 2HE LYS 60 11.999 11.046 6.457 444 HZ1 LYS 60 3HZ LYS 60 13.860 10.975 4.961 445 HZ2 LYS 60 1HZ LYS 60 12.601 10.343 4.107 446 HZ3 LYS 60 2HZ LYS 60 13.091 11.860 3.820 447 H ASN 61 H ASN 61 7.092 8.184 7.078 448 HA ASN 61 HA ASN 61 7.333 5.629 5.934 449 HB2 ASN 61 1HB ASN 61 9.482 4.856 6.802 450 HB3 ASN 61 2HB ASN 61 9.740 6.147 5.643 451 HD21 ASN 61 2HD2 ASN 61 10.135 8.319 6.508 452 HD22 ASN 61 1HD2 ASN 61 10.979 8.486 8.042 453 H THR 62 H THR 62 7.171 3.956 7.490 454 HA THR 62 HA THR 62 6.578 4.628 10.303 455 HB THR 62 HB THR 62 4.536 5.196 8.924 456 HG1 THR 62 1HG THR 62 3.246 4.118 10.560 457 HG21 THR 62 3HG2 THR 62 3.018 3.346 8.365 458 HG22 THR 62 1HG2 THR 62 4.504 3.224 7.413 459 HG23 THR 62 2HG2 THR 62 4.247 2.149 8.807 460 H GLU 63 H GLU 63 5.570 2.512 11.359 461 HA GLU 63 HA GLU 63 7.459 0.291 10.658 462 HB2 GLU 63 1HB GLU 63 6.722 1.540 13.325 463 HB3 GLU 63 2HB GLU 63 7.476 -0.057 13.183 464 HG2 GLU 63 1HG GLU 63 9.377 0.882 12.000 465 HG3 GLU 63 2HG GLU 63 8.660 2.495 12.015 466 H MET 64 H MET 64 6.812 -1.776 10.897 467 HA MET 64 HA MET 64 4.148 -2.493 11.938 468 HB2 MET 64 1HB MET 64 3.551 -3.633 9.803 469 HB3 MET 64 2HB MET 64 3.564 -1.872 9.671 470 HG2 MET 64 1HG MET 64 5.615 -1.862 8.470 471 HG3 MET 64 2HG MET 64 6.021 -3.488 8.979 472 HE1 MET 64 3HE MET 64 6.079 -4.607 5.574 473 HE2 MET 64 1HE MET 64 6.920 -3.563 6.737 474 HE3 MET 64 2HE MET 64 6.322 -5.157 7.245 475 H LEU 65 H LEU 65 3.799 -4.751 12.122 476 HA LEU 65 HA LEU 65 6.265 -6.377 12.385 477 HB2 LEU 65 1HB LEU 65 4.300 -5.713 14.269 478 HB3 LEU 65 2HB LEU 65 3.735 -7.260 13.699 479 HG LEU 65 HG LEU 65 5.042 -7.487 15.689 480 HD11 LEU 65 1HD1 LEU 65 5.222 -9.340 14.097 481 HD12 LEU 65 2HD1 LEU 65 6.706 -8.618 13.432 482 HD13 LEU 65 3HD1 LEU 65 6.666 -9.169 15.110 483 HD21 LEU 65 3HD2 LEU 65 7.357 -6.822 15.907 484 HD22 LEU 65 1HD2 LEU 65 7.417 -6.306 14.211 485 HD23 LEU 65 2HD2 LEU 65 6.392 -5.429 15.365 486 H ILE 66 H ILE 66 6.361 -8.342 11.555 487 HA ILE 66 HA ILE 66 4.159 -9.330 9.734 488 HB ILE 66 HB ILE 66 5.689 -10.050 8.134 489 HG12 ILE 66 1HG1 ILE 66 8.116 -8.684 8.978 490 HG13 ILE 66 2HG1 ILE 66 7.671 -9.832 10.212 491 HG21 ILE 66 1HG2 ILE 66 4.740 -7.755 8.074 492 HG22 ILE 66 2HG2 ILE 66 6.238 -7.137 8.789 493 HG23 ILE 66 3HG2 ILE 66 6.263 -7.940 7.196 494 HD11 ILE 66 3HD1 ILE 66 9.182 -10.699 8.330 495 HD12 ILE 66 1HD1 ILE 66 7.800 -11.702 8.765 496 HD13 ILE 66 2HD1 ILE 66 7.734 -10.693 7.312 497 H ALA 67 H ALA 67 5.621 -11.747 9.048 498 HA ALA 67 HA ALA 67 4.611 -13.577 10.900 499 HB1 ALA 67 1HB ALA 67 5.221 -13.963 8.486 500 HB2 ALA 67 2HB ALA 67 6.943 -13.890 8.945 501 HB3 ALA 67 3HB ALA 67 5.914 -15.190 9.570 502 H GLY 68 H GLY 68 7.585 -11.804 11.233 503 HA2 GLY 68 1HA GLY 68 8.115 -12.815 13.850 504 HA3 GLY 68 2HA GLY 68 9.177 -13.627 12.718 505 H PHE 69 H PHE 69 8.368 -10.274 12.012 506 HA PHE 69 HA PHE 69 10.935 -9.243 13.042 507 HB2 PHE 69 1HB PHE 69 10.295 -9.473 10.068 508 HB3 PHE 69 2HB PHE 69 11.616 -8.547 10.733 509 HD1 PHE 69 1HD PHE 69 13.453 -9.742 12.050 510 HD2 PHE 69 2HD PHE 69 10.576 -11.845 9.609 511 HE1 PHE 69 1HE PHE 69 15.015 -11.664 11.849 512 HE2 PHE 69 2HE PHE 69 12.144 -13.747 9.406 513 HZ PHE 69 HZ PHE 69 14.368 -13.662 10.516 514 H LEU 70 H LEU 70 11.146 -7.016 12.968 515 HA LEU 70 HA LEU 70 8.716 -5.389 12.429 516 HB2 LEU 70 1HB LEU 70 10.132 -5.237 14.596 517 HB3 LEU 70 2HB LEU 70 11.388 -4.540 13.586 518 HG LEU 70 HG LEU 70 10.298 -2.816 14.782 519 HD11 LEU 70 1HD1 LEU 70 10.861 -2.335 12.334 520 HD12 LEU 70 2HD1 LEU 70 9.108 -2.446 12.030 521 HD13 LEU 70 3HD1 LEU 70 9.738 -1.235 13.147 522 HD21 LEU 70 3HD2 LEU 70 7.883 -2.276 14.532 523 HD22 LEU 70 1HD2 LEU 70 7.656 -3.801 13.650 524 HD23 LEU 70 2HD2 LEU 70 8.190 -3.824 15.342 525 H TYR 71 H TYR 71 8.559 -4.357 10.586 526 HA TYR 71 HA TYR 71 10.985 -3.706 8.959 527 HB2 TYR 71 1HB TYR 71 8.298 -4.602 8.019 528 HB3 TYR 71 2HB TYR 71 9.507 -3.887 6.947 529 HD1 TYR 71 1HD TYR 71 11.972 -5.422 8.166 530 HD2 TYR 71 2HD TYR 71 8.060 -6.663 6.835 531 HE1 TYR 71 1HE TYR 71 12.807 -7.719 7.775 532 HE2 TYR 71 2HE TYR 71 8.849 -8.935 6.570 533 HH TYR 71 HH TYR 71 10.760 -10.402 6.695 534 H VAL 72 H VAL 72 11.232 -1.751 8.241 535 HA VAL 72 HA VAL 72 9.347 0.386 9.017 536 HB VAL 72 HB VAL 72 12.084 0.604 7.736 537 HG11 VAL 72 1HG1 VAL 72 10.663 2.606 7.331 538 HG12 VAL 72 2HG1 VAL 72 10.330 2.719 9.073 539 HG13 VAL 72 3HG1 VAL 72 11.972 2.978 8.458 540 HG21 VAL 72 3HG2 VAL 72 12.878 1.308 9.974 541 HG22 VAL 72 1HG2 VAL 72 11.293 0.893 10.658 542 HG23 VAL 72 2HG2 VAL 72 12.330 -0.368 9.957 543 H ALA 73 H ALA 73 7.757 0.711 7.610 544 HA ALA 73 HA ALA 73 7.969 0.201 4.723 545 HB1 ALA 73 1HB ALA 73 5.914 -0.333 6.023 546 HB2 ALA 73 2HB ALA 73 5.718 1.392 6.381 547 HB3 ALA 73 3HB ALA 73 5.617 0.816 4.697 548 H ASP 74 H ASP 74 9.234 1.545 3.706 549 HA ASP 74 HA ASP 74 9.377 4.425 4.206 550 HB2 ASP 74 1HB ASP 74 11.299 2.914 3.598 551 HB3 ASP 74 2HB ASP 74 10.584 2.716 2.001 552 H LEU 75 H LEU 75 7.736 5.691 3.525 553 HA LEU 75 HA LEU 75 5.934 4.856 1.361 554 HB2 LEU 75 1HB LEU 75 5.935 7.420 3.001 555 HB3 LEU 75 2HB LEU 75 4.656 6.854 1.952 556 HG LEU 75 HG LEU 75 5.481 5.504 4.560 557 HD11 LEU 75 1HD1 LEU 75 4.363 7.602 5.023 558 HD12 LEU 75 2HD1 LEU 75 3.148 7.291 3.766 559 HD13 LEU 75 3HD1 LEU 75 3.153 6.321 5.230 560 HD21 LEU 75 3HD2 LEU 75 3.479 4.154 4.323 561 HD22 LEU 75 1HD2 LEU 75 3.116 4.936 2.774 562 HD23 LEU 75 2HD2 LEU 75 4.556 3.877 2.946 563 H GLU 76 H GLU 76 8.895 6.494 1.392 564 HA GLU 76 HA GLU 76 8.280 8.430 -0.756 565 HB2 GLU 76 1HB GLU 76 10.971 7.643 0.424 566 HB3 GLU 76 2HB GLU 76 10.610 9.003 -0.604 567 HG2 GLU 76 1HG GLU 76 9.206 9.925 1.279 568 HG3 GLU 76 2HG GLU 76 9.671 8.538 2.258 569 H ASN 77 H ASN 77 10.353 5.606 -0.235 570 HA ASN 77 HA ASN 77 11.001 5.295 -3.104 571 HB2 ASN 77 1HB ASN 77 12.031 3.972 -0.556 572 HB3 ASN 77 2HB ASN 77 12.683 3.698 -2.169 573 HD21 ASN 77 2HD2 ASN 77 12.349 6.121 0.467 574 HD22 ASN 77 1HD2 ASN 77 13.716 7.075 -0.088 575 H MET 78 H MET 78 8.728 4.140 -0.952 576 HA MET 78 HA MET 78 7.230 2.411 -0.831 577 HB2 MET 78 1HB MET 78 7.836 1.994 -3.774 578 HB3 MET 78 2HB MET 78 6.435 1.391 -2.888 579 HG2 MET 78 1HG MET 78 6.822 4.351 -2.781 580 HG3 MET 78 2HG MET 78 6.504 3.676 -4.366 581 HE1 MET 78 3HE MET 78 3.594 3.709 -0.822 582 HE2 MET 78 1HE MET 78 5.040 2.681 -0.718 583 HE3 MET 78 2HE MET 78 5.201 4.452 -0.867 584 H VAL 79 H VAL 79 9.191 1.564 0.485 585 HA VAL 79 HA VAL 79 9.638 -1.260 -0.307 586 HB VAL 79 HB VAL 79 12.068 -1.164 0.228 587 HG11 VAL 79 1HG1 VAL 79 11.317 -1.272 -2.111 588 HG12 VAL 79 2HG1 VAL 79 11.348 0.503 -2.196 589 HG13 VAL 79 3HG1 VAL 79 12.846 -0.402 -1.915 590 HG21 VAL 79 3HG2 VAL 79 13.267 0.988 0.107 591 HG22 VAL 79 1HG2 VAL 79 11.729 1.850 0.001 592 HG23 VAL 79 2HG2 VAL 79 12.150 0.951 1.473 593 H GLN 80 H GLN 80 10.388 -2.669 1.300 594 HA GLN 80 HA GLN 80 10.016 -1.821 4.132 595 HB2 GLN 80 1HB GLN 80 9.712 -4.510 2.707 596 HB3 GLN 80 2HB GLN 80 9.421 -4.238 4.427 597 HG2 GLN 80 1HG GLN 80 7.867 -2.911 2.171 598 HG3 GLN 80 2HG GLN 80 7.369 -4.369 3.014 599 HE21 GLN 80 2HE2 GLN 80 5.395 -2.845 3.377 600 HE22 GLN 80 1HE2 GLN 80 5.489 -1.907 4.855 601 H TYR 81 H TYR 81 11.652 -2.107 5.530 602 HA TYR 81 HA TYR 81 13.737 -4.134 5.165 603 HB2 TYR 81 1HB TYR 81 15.569 -2.416 5.466 604 HB3 TYR 81 2HB TYR 81 14.807 -2.475 3.898 605 HD1 TYR 81 2HD TYR 81 14.611 -0.547 7.153 606 HD2 TYR 81 1HD TYR 81 14.070 -0.498 2.875 607 HE1 TYR 81 2HE TYR 81 14.235 1.894 7.234 608 HE2 TYR 81 1HE TYR 81 13.712 1.951 2.945 609 HH TYR 81 HH TYR 81 13.512 3.831 4.293 610 H ARG 82 H ARG 82 15.059 -4.460 7.132 611 HA ARG 82 HA ARG 82 13.601 -3.897 9.607 612 HB2 ARG 82 1HB ARG 82 16.392 -5.058 9.246 613 HB3 ARG 82 2HB ARG 82 15.464 -5.022 10.743 614 HG2 ARG 82 1HG ARG 82 13.740 -6.472 9.763 615 HG3 ARG 82 2HG ARG 82 14.609 -6.479 8.214 616 HD2 ARG 82 1HD ARG 82 16.577 -7.526 9.352 617 HD3 ARG 82 2HD ARG 82 15.649 -7.578 10.854 618 HE ARG 82 HE ARG 82 14.433 -9.379 10.053 619 HH11 ARG 82 1HH1 ARG 82 16.221 -8.042 7.231 620 HH12 ARG 82 2HH1 ARG 82 15.776 -9.486 6.301 621 HH21 ARG 82 1HH2 ARG 82 13.897 -11.058 8.613 622 HH22 ARG 82 2HH2 ARG 82 14.557 -10.980 6.980 623 H ARG 83 H ARG 83 14.388 -2.658 11.388 624 HA ARG 83 HA ARG 83 15.029 -0.031 10.724 625 HB2 ARG 83 1HB ARG 83 15.487 -1.306 13.450 626 HB3 ARG 83 2HB ARG 83 15.219 0.407 13.100 627 HG2 ARG 83 1HG ARG 83 12.933 -0.186 12.212 628 HG3 ARG 83 2HG ARG 83 13.219 -1.858 12.718 629 HD2 ARG 83 1HD ARG 83 11.975 -1.008 14.454 630 HD3 ARG 83 2HD ARG 83 13.614 -0.909 15.091 631 HE ARG 83 HE ARG 83 11.836 1.308 14.154 632 HH11 ARG 83 1HH1 ARG 83 14.928 0.595 15.764 633 HH12 ARG 83 2HH1 ARG 83 15.079 2.247 16.284 634 HH21 ARG 83 1HH2 ARG 83 12.050 3.221 14.819 635 HH22 ARG 83 2HH2 ARG 83 13.442 3.777 15.747 636 H ASN 84 H ASN 84 17.343 -2.571 11.268 637 HA ASN 84 HA ASN 84 19.609 -0.716 11.651 638 HB2 ASN 84 1HB ASN 84 19.147 -2.747 13.093 639 HB3 ASN 84 2HB ASN 84 19.579 -3.745 11.704 640 HD21 ASN 84 2HD2 ASN 84 21.723 -4.382 11.740 641 HD22 ASN 84 1HD2 ASN 84 23.018 -3.475 12.502 642 H GLU 85 H GLU 85 18.120 -1.902 8.850 643 HA GLU 85 HA GLU 85 20.683 -1.923 7.344 644 HB2 GLU 85 1HB GLU 85 20.249 -3.957 6.250 645 HB3 GLU 85 2HB GLU 85 20.059 -4.264 7.976 646 HG2 GLU 85 1HG GLU 85 17.545 -3.992 7.635 647 HG3 GLU 85 2HG GLU 85 17.846 -3.944 5.898 648 H HIS 86 H HIS 86 20.459 -1.763 5.032 649 HA HIS 86 HA HIS 86 17.846 -0.759 4.006 650 HB2 HIS 86 1HB HIS 86 18.821 1.156 2.983 651 HB3 HIS 86 2HB HIS 86 19.250 1.183 4.693 652 HD2 HIS 86 2HD HIS 86 21.857 0.869 5.314 653 HE1 HIS 86 1HE HIS 86 23.383 0.916 1.340 654 HE2 HIS 86 2HE HIS 86 24.012 0.996 3.807 655 H GLY 87 H GLY 87 20.880 -2.379 3.315 656 HA2 GLY 87 1HA GLY 87 20.626 -2.476 0.458 657 HA3 GLY 87 2HA GLY 87 21.694 -3.486 1.459 658 H ARG 88 H ARG 88 19.046 -4.376 2.862 659 HA ARG 88 HA ARG 88 18.392 -6.603 1.002 660 HB2 ARG 88 1HB ARG 88 17.998 -6.163 3.983 661 HB3 ARG 88 2HB ARG 88 17.205 -7.469 3.123 662 HG2 ARG 88 1HG ARG 88 19.099 -8.402 4.129 663 HG3 ARG 88 2HG ARG 88 19.381 -8.378 2.391 664 HD2 ARG 88 1HD ARG 88 20.912 -6.489 2.618 665 HD3 ARG 88 2HD ARG 88 20.543 -6.329 4.336 666 HE ARG 88 HE ARG 88 22.272 -8.299 3.020 667 HH11 ARG 88 1HH1 ARG 88 20.565 -7.593 6.072 668 HH12 ARG 88 2HH1 ARG 88 21.603 -8.668 6.968 669 HH21 ARG 88 1HH2 ARG 88 23.543 -9.645 4.259 670 HH22 ARG 88 2HH2 ARG 88 23.252 -9.806 5.964 671 H ARG 89 H ARG 89 17.217 -3.597 1.188 672 HA ARG 89 HA ARG 89 14.556 -3.757 1.939 673 HB2 ARG 89 1HB ARG 89 14.220 -1.642 0.821 674 HB3 ARG 89 2HB ARG 89 15.753 -1.678 1.684 675 HG2 ARG 89 1HG ARG 89 16.899 -2.157 -0.533 676 HG3 ARG 89 2HG ARG 89 15.330 -1.889 -1.323 677 HD2 ARG 89 1HD ARG 89 15.247 0.395 -0.494 678 HD3 ARG 89 2HD ARG 89 16.713 0.167 0.451 679 HE ARG 89 HE ARG 89 16.469 0.564 -2.458 680 HH11 ARG 89 1HH2 ARG 89 18.712 -0.395 0.105 681 HH12 ARG 89 2HH2 ARG 89 20.106 0.134 -0.798 682 HH21 ARG 89 1HH1 ARG 89 18.308 1.136 -3.599 683 HH22 ARG 89 2HH1 ARG 89 19.878 0.921 -2.890 684 H ARG 90 H ARG 90 12.622 -4.143 1.047 685 HA ARG 90 HA ARG 90 12.530 -5.532 -1.612 686 HB2 ARG 90 1HB ARG 90 12.555 -6.973 0.448 687 HB3 ARG 90 2HB ARG 90 11.018 -6.244 0.936 688 HG2 ARG 90 1HG ARG 90 9.949 -7.119 -1.131 689 HG3 ARG 90 2HG ARG 90 11.516 -7.762 -1.672 690 HD2 ARG 90 1HD ARG 90 11.593 -9.177 0.395 691 HD3 ARG 90 2HD ARG 90 9.981 -8.593 0.822 692 HE ARG 90 HE ARG 90 9.169 -9.574 -1.345 693 HH11 ARG 90 1HH1 ARG 90 12.124 -11.032 0.073 694 HH12 ARG 90 2HH1 ARG 90 11.772 -12.573 -0.632 695 HH21 ARG 90 1HH2 ARG 90 8.887 -11.460 -2.284 696 HH22 ARG 90 2HH2 ARG 90 9.989 -12.810 -2.016 697 H LYS 91 H LYS 91 10.817 -5.154 -2.951 698 HA LYS 91 HA LYS 91 9.595 -2.588 -2.682 699 HB2 LYS 91 1HB LYS 91 9.819 -4.732 -4.733 700 HB3 LYS 91 2HB LYS 91 8.388 -3.748 -4.888 701 HG2 LYS 91 1HG LYS 91 11.162 -2.528 -4.640 702 HG3 LYS 91 2HG LYS 91 10.467 -2.997 -6.192 703 HD2 LYS 91 1HD LYS 91 9.111 -1.056 -4.289 704 HD3 LYS 91 2HD LYS 91 10.195 -0.545 -5.577 705 HE2 LYS 91 1HE LYS 91 8.735 -1.274 -7.288 706 HE3 LYS 91 2HE LYS 91 7.809 -2.308 -6.202 707 HZ1 LYS 91 3HZ LYS 91 6.643 -0.234 -6.758 708 HZ2 LYS 91 1HZ LYS 91 6.868 -0.380 -5.147 709 HZ3 LYS 91 2HZ LYS 91 7.810 0.649 -6.030 710 H ILE 92 H ILE 92 7.645 -1.831 -2.493 711 HA ILE 92 HA ILE 92 5.256 -3.583 -2.207 712 HB ILE 92 HB ILE 92 4.409 -2.051 -0.407 713 HG12 ILE 92 1HG1 ILE 92 7.288 -1.134 -0.253 714 HG13 ILE 92 2HG1 ILE 92 5.942 -0.185 -0.910 715 HG21 ILE 92 1HG2 ILE 92 5.282 -4.271 0.093 716 HG22 ILE 92 2HG2 ILE 92 6.916 -3.625 0.284 717 HG23 ILE 92 3HG2 ILE 92 5.606 -3.146 1.398 718 HD11 ILE 92 3HD1 ILE 92 6.197 0.693 1.198 719 HD12 ILE 92 1HD1 ILE 92 4.926 -0.517 1.497 720 HD13 ILE 92 2HD1 ILE 92 6.617 -0.872 1.931 721 H LYS 93 H LYS 93 3.240 -2.199 -2.298 722 HA LYS 93 HA LYS 93 3.403 0.335 -3.726 723 HB2 LYS 93 1HB LYS 93 2.208 -0.323 -5.712 724 HB3 LYS 93 2HB LYS 93 3.642 -1.335 -5.589 725 HG2 LYS 93 1HG LYS 93 2.303 -3.217 -4.765 726 HG3 LYS 93 2HG LYS 93 0.854 -2.205 -4.688 727 HD2 LYS 93 1HD LYS 93 0.849 -1.898 -7.097 728 HD3 LYS 93 2HD LYS 93 2.315 -2.895 -7.260 729 HE2 LYS 93 1HE LYS 93 1.193 -4.866 -6.514 730 HE3 LYS 93 2HE LYS 93 -0.167 -3.949 -5.850 731 HZ1 LYS 93 3HZ LYS 93 -0.668 -5.048 -7.991 732 HZ2 LYS 93 1HZ LYS 93 -0.934 -3.441 -8.010 733 HZ3 LYS 93 2HZ LYS 93 0.402 -4.069 -8.752 734 H ARG 94 H ARG 94 1.270 1.261 -4.141 735 HA ARG 94 HA ARG 94 -0.892 0.378 -2.263 736 HB2 ARG 94 1HB ARG 94 -0.315 3.066 -3.572 737 HB3 ARG 94 2HB ARG 94 -1.824 2.678 -2.731 738 HG2 ARG 94 1HG ARG 94 -0.603 2.216 -0.656 739 HG3 ARG 94 2HG ARG 94 0.940 2.595 -1.437 740 HD2 ARG 94 1HD ARG 94 -1.377 4.549 -1.067 741 HD3 ARG 94 2HD ARG 94 0.046 4.453 -0.039 742 HE ARG 94 HE ARG 94 1.446 5.223 -1.806 743 HH11 ARG 94 1HH1 ARG 94 -2.004 5.519 -2.724 744 HH12 ARG 94 2HH1 ARG 94 -1.557 6.575 -4.064 745 HH21 ARG 94 1HH2 ARG 94 1.774 6.631 -3.572 746 HH22 ARG 94 2HH2 ARG 94 0.355 7.144 -4.485 747 H ASP 95 H ASP 95 -2.924 0.001 -3.121 748 HA ASP 95 HA ASP 95 -3.447 0.321 -6.007 749 HB2 ASP 95 1HB ASP 95 -2.479 -2.145 -5.110 750 HB3 ASP 95 2HB ASP 95 -4.241 -2.347 -5.046 751 H ILE 96 H ILE 96 -5.744 -0.785 -6.393 752 HA ILE 96 HA ILE 96 -7.637 0.324 -4.339 753 HB ILE 96 HB ILE 96 -7.661 0.818 -7.332 754 HG12 ILE 96 1HG1 ILE 96 -5.865 2.123 -6.238 755 HG13 ILE 96 2HG1 ILE 96 -7.131 3.131 -6.900 756 HG21 ILE 96 1HG2 ILE 96 -9.946 0.810 -6.523 757 HG22 ILE 96 2HG2 ILE 96 -9.516 1.756 -5.078 758 HG23 ILE 96 3HG2 ILE 96 -9.489 2.505 -6.689 759 HD11 ILE 96 3HD1 ILE 96 -6.286 3.807 -4.595 760 HD12 ILE 96 1HD1 ILE 96 -8.045 3.595 -4.736 761 HD13 ILE 96 2HD1 ILE 96 -7.085 2.340 -3.971 762 H ILE 97 H ILE 97 -9.433 -0.733 -4.076 763 HA ILE 97 HA ILE 97 -9.950 -3.285 -5.531 764 HB ILE 97 HB ILE 97 -11.336 -2.153 -3.101 765 HG12 ILE 97 1HG1 ILE 97 -10.173 -4.310 -2.102 766 HG13 ILE 97 2HG1 ILE 97 -8.989 -4.033 -3.368 767 HG21 ILE 97 1HG2 ILE 97 -12.832 -3.562 -4.297 768 HG22 ILE 97 2HG2 ILE 97 -11.591 -4.830 -4.491 769 HG23 ILE 97 3HG2 ILE 97 -12.266 -4.449 -2.886 770 HD11 ILE 97 3HD1 ILE 97 -8.682 -2.983 -0.995 771 HD12 ILE 97 1HD1 ILE 97 -8.331 -1.949 -2.400 772 HD13 ILE 97 2HD1 ILE 97 -9.858 -1.780 -1.491 773 H ASP 98 H ASP 98 -11.732 -3.662 -6.768 774 HA ASP 98 HA ASP 98 -13.307 -1.328 -7.653 775 HB2 ASP 98 1HB ASP 98 -12.054 -2.713 -9.282 776 HB3 ASP 98 2HB ASP 98 -12.989 -4.126 -8.805 777 H ILE 99 H ILE 99 -13.817 -4.322 -5.994 778 HA ILE 99 HA ILE 99 -15.460 -5.168 -4.729 779 HB ILE 99 HB ILE 99 -17.130 -2.725 -5.309 780 HG12 ILE 99 1HG1 ILE 99 -14.970 -2.132 -4.197 781 HG13 ILE 99 2HG1 ILE 99 -16.392 -1.784 -3.236 782 HG21 ILE 99 1HG2 ILE 99 -18.539 -4.523 -4.508 783 HG22 ILE 99 2HG2 ILE 99 -17.455 -4.824 -3.143 784 HG23 ILE 99 3HG2 ILE 99 -18.356 -3.298 -3.255 785 HD11 ILE 99 3HD1 ILE 99 -14.490 -2.748 -1.931 786 HD12 ILE 99 1HD1 ILE 99 -15.991 -3.662 -1.770 787 HD13 ILE 99 2HD1 ILE 99 -14.691 -4.274 -2.813 788 HA PRO 100 HA PRO 100 -17.734 -7.275 -7.983 789 HB2 PRO 100 1HB PRO 100 -18.528 -9.498 -6.646 790 HB3 PRO 100 2HB PRO 100 -16.808 -9.176 -7.001 791 HG2 PRO 100 1HG PRO 100 -18.319 -8.598 -4.426 792 HG3 PRO 100 2HG PRO 100 -16.752 -9.448 -4.615 793 HD2 PRO 100 1HD PRO 100 -16.928 -6.766 -4.020 794 HD3 PRO 100 2HD PRO 100 -15.606 -7.441 -5.018 795 H LYS 101 H LYS 101 -19.926 -8.167 -8.374 796 HA LYS 101 HA LYS 101 -22.002 -6.380 -7.641 797 HB2 LYS 101 1HB LYS 101 -23.496 -7.892 -8.798 798 HB3 LYS 101 2HB LYS 101 -21.996 -7.682 -9.698 799 HG2 LYS 101 1HG LYS 101 -21.191 -9.899 -8.841 800 HG3 LYS 101 2HG LYS 101 -22.736 -10.107 -7.992 801 HD2 LYS 101 1HD LYS 101 -23.944 -9.984 -10.153 802 HD3 LYS 101 2HD LYS 101 -22.397 -9.775 -11.005 803 HE2 LYS 101 1HE LYS 101 -21.625 -11.974 -10.130 804 HE3 LYS 101 2HE LYS 101 -23.166 -12.183 -9.287 805 HZ1 LYS 101 3HZ LYS 101 -23.157 -13.344 -11.413 806 HZ2 LYS 101 1HZ LYS 101 -24.278 -12.158 -11.452 807 HZ3 LYS 101 2HZ LYS 101 -22.853 -11.965 -12.231 808 H LYS 102 H LYS 102 -21.030 -9.374 -6.069 809 HA LYS 102 HA LYS 102 -23.262 -9.587 -4.246 810 HB2 LYS 102 1HB LYS 102 -21.709 -11.416 -4.945 811 HB3 LYS 102 2HB LYS 102 -20.411 -10.644 -4.024 812 HG2 LYS 102 1HG LYS 102 -21.657 -11.003 -1.924 813 HG3 LYS 102 2HG LYS 102 -23.055 -11.601 -2.830 814 HD2 LYS 102 1HD LYS 102 -21.868 -13.467 -1.866 815 HD3 LYS 102 2HD LYS 102 -21.714 -13.531 -3.627 816 HE2 LYS 102 1HE LYS 102 -19.435 -12.549 -3.469 817 HE3 LYS 102 2HE LYS 102 -19.606 -12.416 -1.713 818 HZ1 LYS 102 3HZ LYS 102 -18.371 -14.405 -2.338 819 HZ2 LYS 102 1HZ LYS 102 -19.767 -14.840 -1.613 820 HZ3 LYS 102 2HZ LYS 102 -19.614 -14.964 -3.237 821 H GLY 103 H GLY 103 -20.362 -7.627 -4.194 822 HA2 GLY 103 1HA GLY 103 -20.715 -6.733 -1.384 823 HA3 GLY 103 2HA GLY 103 -19.459 -6.219 -2.535 824 H VAL 104 H VAL 104 -21.102 -5.426 -4.695 825 HA VAL 104 HA VAL 104 -22.002 -2.818 -3.913 826 HB VAL 104 HB VAL 104 -22.477 -4.403 -6.460 827 HG11 VAL 104 1HG1 VAL 104 -24.274 -2.741 -6.368 828 HG12 VAL 104 2HG1 VAL 104 -23.113 -1.464 -5.930 829 HG13 VAL 104 3HG1 VAL 104 -23.063 -2.223 -7.536 830 HG21 VAL 104 3HG2 VAL 104 -20.769 -2.868 -7.398 831 HG22 VAL 104 1HG2 VAL 104 -20.593 -2.085 -5.813 832 HG23 VAL 104 2HG2 VAL 104 -20.116 -3.778 -6.038 833 H SER 105 H SER 105 -23.840 -5.869 -4.441 834 HA SER 105 HA SER 105 -26.440 -4.620 -3.956 835 HB2 SER 105 1HB SER 105 -25.637 -7.553 -3.953 836 HB3 SER 105 2HB SER 105 -27.286 -6.910 -3.953 837 HG SER 105 HG SER 105 -25.318 -6.762 -6.001 838 H GLY 106 H GLY 106 -27.330 -4.135 -2.013 839 HA2 GLY 106 1HA GLY 106 -26.040 -4.894 0.491 840 HA3 GLY 106 2HA GLY 106 -27.499 -3.907 0.305 841 HA PRO 107 HA PRO 107 -28.615 -8.451 1.325 842 HB2 PRO 107 1HB PRO 107 -28.317 -8.771 4.008 843 HB3 PRO 107 2HB PRO 107 -26.951 -8.970 2.866 844 HG2 PRO 107 1HG PRO 107 -27.669 -6.505 4.494 845 HG3 PRO 107 2HG PRO 107 -26.074 -7.313 4.362 846 HD2 PRO 107 1HD PRO 107 -26.739 -5.144 2.833 847 HD3 PRO 107 2HD PRO 107 -25.717 -6.468 2.197 848 H SER 108 H SER 108 -29.356 -5.368 2.844 849 HA SER 108 HA SER 108 -32.245 -6.006 3.003 850 HB2 SER 108 1HB SER 108 -32.308 -5.190 5.340 851 HB3 SER 108 2HB SER 108 -31.363 -6.670 5.162 852 HG SER 108 HG SER 108 -30.307 -5.106 6.500 853 H SER 109 H SER 109 -30.438 -4.216 1.345 854 HA SER 109 HA SER 109 -31.843 -1.659 1.550 855 HB2 SER 109 1HB SER 109 -29.781 -0.361 1.971 856 HB3 SER 109 2HB SER 109 -30.216 -1.387 3.342 857 HG SER 109 HG SER 109 -27.961 -1.490 2.858 858 H GLY 110 H GLY 110 -31.123 -0.113 -0.113 859 HA2 GLY 110 1HA GLY 110 -29.328 -0.585 -2.218 860 HA3 GLY 110 2HA GLY 110 -30.858 -1.313 -2.713 861 H5'1 ATP 201 H5" ATP 111 11.897 -12.460 3.855 862 H5'2 ATP 201 H5' ATP 111 12.670 -13.970 4.340 863 H4' ATP 201 H4' ATP 111 11.481 -13.803 6.562 864 H3' ATP 201 H3' ATP 111 10.618 -14.961 4.274 865 HO3' ATP 201 H3T ATP 111 8.542 -15.326 5.481 866 H2' ATP 201 H2' ATP 111 9.774 -12.949 3.290 867 HO2' ATP 201 2HO ATP 111 8.050 -14.479 3.158 868 H1' ATP 201 H1' ATP 111 8.303 -12.314 5.836 869 H8 ATP 201 8H ATP 111 11.003 -10.173 4.059 870 HN61 ATP 201 2H6 ATP 111 7.860 -6.841 2.173 871 HN62 ATP 201 1H6 ATP 111 6.112 -6.670 2.396 872 H2 ATP 201 2H ATP 111 4.649 -9.846 4.917
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