NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13112 | 1u5m | 6299 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H TYR 1 H TYR 1 -7.873 20.611 10.117 2 HA TYR 1 HA TYR 1 -8.118 19.096 11.728 3 1HB TYR 1 1HB TYR 1 -9.821 21.096 12.145 4 2HB TYR 1 2HB TYR 1 -11.063 19.963 11.651 5 HD1 TYR 1 1HD TYR 1 -9.101 21.164 14.382 6 HD2 TYR 1 2HD TYR 1 -11.229 17.731 12.970 7 HE1 TYR 1 1HE TYR 1 -9.237 20.264 16.755 8 HE2 TYR 1 2HE TYR 1 -11.357 16.843 15.350 9 HH TYR 1 HH TYR 1 -11.186 17.471 17.514 10 H VAL 2 H VAL 2 -11.226 19.008 9.836 11 HA VAL 2 HA VAL 2 -11.361 16.153 10.226 12 HB VAL 2 HB VAL 2 -13.500 16.316 9.207 13 1HG1 VAL 2 1HG1 VAL 2 -14.621 17.913 10.639 14 2HG1 VAL 2 2HG1 VAL 2 -13.264 17.187 11.531 15 3HG1 VAL 2 3HG1 VAL 2 -13.113 18.831 10.865 16 1HG2 VAL 2 1HG2 VAL 2 -12.374 18.759 7.977 17 2HG2 VAL 2 2HG2 VAL 2 -13.576 17.604 7.353 18 3HG2 VAL 2 3HG2 VAL 2 -14.074 18.882 8.487 19 H GLU 3 H GLU 3 -9.078 16.106 9.116 20 HA GLU 3 HA GLU 3 -7.826 15.661 7.390 21 1HB GLU 3 1HB GLU 3 -10.361 14.186 6.945 22 2HB GLU 3 2HB GLU 3 -9.379 14.354 5.503 23 1HG GLU 3 1HG GLU 3 -7.578 13.691 7.628 24 2HG GLU 3 2HG GLU 3 -8.956 12.624 7.803 25 HE2 GLU 3 HE2 GLU 3 -7.119 10.892 6.731 26 H PHE 4 H PHE 4 -7.391 17.834 6.707 27 HA PHE 4 HA PHE 4 -9.090 18.802 4.532 28 1HB PHE 4 1HB PHE 4 -8.430 20.123 6.717 29 2HB PHE 4 2HB PHE 4 -6.813 20.197 6.047 30 HD1 PHE 4 1HD PHE 4 -10.312 20.874 4.908 31 HD2 PHE 4 2HD PHE 4 -6.261 22.136 4.947 32 HE1 PHE 4 1HE PHE 4 -10.941 22.932 3.617 33 HE2 PHE 4 2HE PHE 4 -6.891 24.195 3.656 34 HZ PHE 4 HZ PHE 4 -9.223 24.569 3.007 35 H GLN 5 H GLN 5 -8.047 19.743 2.605 36 HA GLN 5 HA GLN 5 -5.526 18.375 2.086 37 1HB GLN 5 1HB GLN 5 -7.963 18.905 0.436 38 2HB GLN 5 2HB GLN 5 -6.430 19.031 -0.405 39 1HG GLN 5 1HG GLN 5 -7.050 16.740 -0.639 40 2HG GLN 5 2HG GLN 5 -5.829 16.735 0.617 41 1HE2 GLN 5 1HE2 GLN 5 -8.876 15.744 -0.259 42 2HE2 GLN 5 2HE2 GLN 5 -9.529 15.306 1.284 43 H GLU 6 H GLU 6 -3.741 19.547 1.331 44 HA GLU 6 HA GLU 6 -4.139 22.251 0.494 45 1HB GLU 6 1HB GLU 6 -2.676 23.259 2.196 46 2HB GLU 6 2HB GLU 6 -4.063 22.506 2.957 47 1HG GLU 6 1HG GLU 6 -2.690 20.479 3.465 48 2HG GLU 6 2HG GLU 6 -1.303 21.221 2.693 49 HE2 GLU 6 HE2 GLU 6 -0.044 22.201 4.073 50 H ALA 7 H ALA 7 -2.587 22.814 -1.018 51 HA ALA 7 HA ALA 7 -0.858 22.605 -2.381 52 1HB ALA 7 1HB ALA 7 0.274 22.857 -0.035 53 2HB ALA 7 2HB ALA 7 0.690 21.139 -0.242 54 3HB ALA 7 3HB ALA 7 1.264 22.342 -1.422 55 H GLY 8 H GLY 8 0.134 21.120 -3.883 56 1HA GLY 8 1HA GLY 8 -1.170 18.504 -3.847 57 2HA GLY 8 2HA GLY 8 -0.372 19.282 -5.201 58 H SER 9 H SER 9 2.145 19.945 -4.285 59 HA SER 9 HA SER 9 3.540 17.667 -4.558 60 1HB SER 9 1HB SER 9 5.457 18.934 -3.476 61 2HB SER 9 2HB SER 9 4.643 19.791 -4.770 62 HG SER 9 HG SER 9 3.296 20.773 -2.945 63 H CYS 10 H CYS 10 4.668 16.204 -3.106 64 HA CYS 10 HA CYS 10 3.562 16.243 -0.391 65 1HB CYS 10 1HB CYS 10 3.942 13.984 -2.322 66 2HB CYS 10 2HB CYS 10 4.069 13.673 -0.602 67 H VAL 11 H VAL 11 5.085 16.078 1.281 68 HA VAL 11 HA VAL 11 7.871 16.097 0.410 69 HB VAL 11 HB VAL 11 6.469 16.948 2.946 70 1HG1 VAL 11 1HG1 VAL 11 8.427 16.388 3.944 71 2HG1 VAL 11 2HG1 VAL 11 9.336 16.394 2.414 72 3HG1 VAL 11 3HG1 VAL 11 8.976 17.928 3.242 73 1HG2 VAL 11 1HG2 VAL 11 7.616 19.170 2.194 74 2HG2 VAL 11 2HG2 VAL 11 7.692 18.384 0.599 75 3HG2 VAL 11 3HG2 VAL 11 6.119 18.640 1.391 76 H GLN 12 H GLN 12 8.871 14.152 0.377 77 HA GLN 12 HA GLN 12 8.157 12.326 2.539 78 1HB GLN 12 1HB GLN 12 7.910 11.914 -0.257 79 2HB GLN 12 2HB GLN 12 9.313 10.979 0.221 80 1HG GLN 12 1HG GLN 12 6.613 10.840 1.643 81 2HG GLN 12 2HG GLN 12 7.115 9.720 0.391 82 1HE2 GLN 12 1HE2 GLN 12 6.459 9.245 3.182 83 2HE2 GLN 12 2HE2 GLN 12 7.830 8.487 3.921 84 H ASP 13 H ASP 13 9.830 12.726 3.986 85 HA ASP 13 HA ASP 13 11.822 12.506 4.832 86 1HB ASP 13 1HB ASP 13 11.940 10.607 2.912 87 2HB ASP 13 2HB ASP 13 13.143 11.694 2.247 88 HD2 ASP 13 HD ASP 13 13.811 8.904 4.156 89 H GLY 14 H GLY 14 10.836 14.646 2.595 90 1HA GLY 14 1HA GLY 14 11.716 16.844 2.572 91 2HA GLY 14 2HA GLY 14 13.340 16.196 2.690 92 H GLN 15 H GLN 15 11.058 14.539 0.570 93 HA GLN 15 HA GLN 15 12.462 15.742 -1.688 94 1HB GLN 15 1HB GLN 15 11.565 12.912 -1.135 95 2HB GLN 15 2HB GLN 15 11.663 13.458 -2.798 96 1HG GLN 15 1HG GLN 15 14.016 13.944 -2.616 97 2HG GLN 15 2HG GLN 15 13.982 13.852 -0.867 98 1HE2 GLN 15 1HE2 GLN 15 14.870 12.288 -3.590 99 2HE2 GLN 15 2HE2 GLN 15 14.886 10.640 -3.056 100 H ARG 16 H ARG 16 11.222 16.906 -3.101 101 HA ARG 16 HA ARG 16 8.413 16.931 -2.635 102 1HB ARG 16 1HB ARG 16 10.312 18.493 -4.426 103 2HB ARG 16 2HB ARG 16 8.579 18.649 -4.639 104 1HG ARG 16 1HG ARG 16 8.516 20.127 -2.922 105 2HG ARG 16 2HG ARG 16 9.042 18.863 -1.828 106 1HD ARG 16 1HD ARG 16 11.367 19.426 -2.113 107 2HD ARG 16 2HD ARG 16 11.044 20.391 -3.540 108 HE ARG 16 HE ARG 16 10.864 21.285 -0.798 109 1HH1 ARG 16 2HH2 ARG 16 9.348 21.727 -3.970 110 2HH1 ARG 16 1HH2 ARG 16 8.791 23.329 -3.620 111 1HH2 ARG 16 1HH ARG 16 9.263 24.292 -1.477 112 H TYR 17 H TYR 17 7.110 15.395 -3.589 113 HA TYR 17 HA TYR 17 7.847 14.537 -6.307 114 1HB TYR 17 1HB TYR 17 6.602 13.195 -3.842 115 2HB TYR 17 2HB TYR 17 6.403 12.478 -5.429 116 HD1 TYR 17 1HD TYR 17 8.576 11.949 -6.766 117 HD2 TYR 17 2HD TYR 17 8.501 12.698 -2.555 118 HE1 TYR 17 1HE TYR 17 10.814 10.771 -6.509 119 HE2 TYR 17 2HE TYR 17 10.739 11.519 -2.312 120 HH TYR 17 HH TYR 17 12.768 10.987 -4.743 121 H ASN 18 H ASN 18 5.978 13.870 -7.686 122 HA ASN 18 HA ASN 18 3.965 15.848 -7.476 123 1HB ASN 18 1HB ASN 18 4.679 15.271 -9.705 124 2HB ASN 18 2HB ASN 18 4.537 13.552 -9.398 125 1HD2 ASN 18 1HD2 ASN 18 2.964 12.705 -10.512 126 2HD2 ASN 18 2HD2 ASN 18 1.388 13.368 -10.787 127 H ASP 19 H ASP 19 1.541 15.137 -7.747 128 HA ASP 19 HA ASP 19 0.923 13.434 -5.610 129 1HB ASP 19 1HB ASP 19 -1.474 13.707 -6.688 130 2HB ASP 19 2HB ASP 19 -0.694 15.088 -5.945 131 HD2 ASP 19 HD ASP 19 -2.098 14.463 -9.227 132 H LYS 20 H LYS 20 0.281 13.289 -9.202 133 HA LYS 20 HA LYS 20 -0.741 10.694 -9.192 134 1HB LYS 20 1HB LYS 20 -0.578 12.705 -11.005 135 2HB LYS 20 2HB LYS 20 0.676 11.648 -11.621 136 1HG LYS 20 1HG LYS 20 -0.842 9.814 -11.903 137 2HG LYS 20 2HG LYS 20 -2.051 10.538 -10.862 138 1HD LYS 20 1HD LYS 20 -2.928 11.805 -12.554 139 2HD LYS 20 2HD LYS 20 -1.348 12.271 -13.152 140 1HE LYS 20 1HE LYS 20 -1.113 9.999 -14.225 141 2HE LYS 20 2HE LYS 20 -2.728 9.593 -13.674 142 1HZ LYS 20 1HZ LYS 20 -3.568 11.496 -14.979 143 2HZ LYS 20 2HZ LYS 20 -2.067 11.830 -15.515 144 H ASP 21 H ASP 21 2.507 11.928 -8.843 145 HA ASP 21 HA ASP 21 3.908 9.818 -9.930 146 1HB ASP 21 1HB ASP 21 4.405 12.065 -8.083 147 2HB ASP 21 2HB ASP 21 5.394 10.673 -7.695 148 HD2 ASP 21 HD ASP 21 7.353 10.866 -8.741 149 H VAL 22 H VAL 22 4.941 7.954 -8.814 150 HA VAL 22 HA VAL 22 3.740 7.302 -6.222 151 HB VAL 22 HB VAL 22 3.831 5.602 -8.714 152 1HG1 VAL 22 1HG1 VAL 22 4.386 3.917 -7.301 153 2HG1 VAL 22 2HG1 VAL 22 3.842 4.802 -5.855 154 3HG1 VAL 22 3HG1 VAL 22 2.654 3.978 -6.894 155 1HG2 VAL 22 1HG2 VAL 22 1.339 5.376 -7.515 156 2HG2 VAL 22 2HG2 VAL 22 1.766 7.085 -7.267 157 3HG2 VAL 22 3HG2 VAL 22 1.748 6.402 -8.911 158 H TRP 23 H TRP 23 5.181 6.477 -4.748 159 HA TRP 23 HA TRP 23 7.809 5.695 -5.802 160 1HB TRP 23 1HB TRP 23 8.934 6.887 -4.085 161 2HB TRP 23 2HB TRP 23 7.883 8.005 -4.930 162 HD1 TRP 23 HD TRP 23 8.243 6.289 -1.500 163 HE1 TRP 23 1HE TRP 23 6.754 7.477 0.327 164 HE3 TRP 23 3HE TRP 23 5.804 9.362 -4.733 165 HZ2 TRP 23 2HZ TRP 23 4.768 9.523 0.215 166 HZ3 TRP 23 3HZ TRP 23 4.105 10.924 -3.793 167 HH2 TRP 23 HH TRP 23 3.573 11.036 -1.410 168 H LYS 24 H LYS 24 8.756 3.921 -4.699 169 HA LYS 24 HA LYS 24 6.944 2.638 -2.777 170 1HB LYS 24 1HB LYS 24 7.144 1.385 -4.845 171 2HB LYS 24 2HB LYS 24 8.893 1.433 -4.760 172 1HG LYS 24 1HG LYS 24 7.442 0.317 -2.372 173 2HG LYS 24 2HG LYS 24 7.450 -0.661 -3.826 174 1HD LYS 24 1HD LYS 24 10.119 0.420 -3.344 175 2HD LYS 24 2HD LYS 24 9.540 -0.397 -1.906 176 1HE LYS 24 1HE LYS 24 10.268 -2.303 -2.944 177 2HE LYS 24 2HE LYS 24 8.773 -2.198 -3.851 178 1HZ LYS 24 1HZ LYS 24 11.406 -1.896 -4.821 179 2HZ LYS 24 2HZ LYS 24 10.023 -1.928 -5.680 180 HA PRO 25 HA PRO 25 10.368 3.648 -0.171 181 1HB PRO 25 1HB PRO 25 8.964 3.679 2.174 182 2HB PRO 25 2HB PRO 25 9.161 5.092 1.156 183 1HG PRO 25 1HG PRO 25 6.777 3.380 1.506 184 2HG PRO 25 2HG PRO 25 6.878 5.001 0.850 185 1HD PRO 25 1HD PRO 25 6.570 2.566 -0.633 186 2HD PRO 25 2HD PRO 25 6.786 4.174 -1.293 187 H GLU 26 H GLU 26 8.010 1.118 0.323 188 HA GLU 26 HA GLU 26 10.250 -0.505 1.236 189 1HB GLU 26 1HB GLU 26 7.466 -0.295 2.433 190 2HB GLU 26 2HB GLU 26 8.454 -1.721 2.681 191 1HG GLU 26 1HG GLU 26 10.264 -0.331 3.661 192 2HG GLU 26 2HG GLU 26 9.339 1.125 3.352 193 HE2 GLU 26 HE GLU 26 9.563 -0.661 6.407 194 HA PRO 27 HA PRO 27 8.810 -3.218 -1.835 195 1HB PRO 27 1HB PRO 27 10.088 -5.524 -1.115 196 2HB PRO 27 2HB PRO 27 10.870 -4.232 -2.005 197 1HG PRO 27 1HG PRO 27 11.166 -4.963 0.844 198 2HG PRO 27 2HG PRO 27 12.222 -3.983 -0.154 199 1HD PRO 27 1HD PRO 27 10.365 -3.043 1.821 200 2HD PRO 27 2HD PRO 27 11.335 -2.060 0.743 201 H CYS 28 H CYS 28 7.769 -3.293 1.255 202 HA CYS 28 HA CYS 28 5.973 -5.521 0.623 203 1HB CYS 28 1HB CYS 28 7.046 -4.561 3.274 204 2HB CYS 28 2HB CYS 28 5.647 -5.608 3.147 205 H ARG 29 H ARG 29 6.412 -2.119 1.234 206 HA ARG 29 HA ARG 29 3.525 -1.840 1.241 207 1HB ARG 29 1HB ARG 29 4.468 -1.471 3.574 208 2HB ARG 29 2HB ARG 29 5.427 -0.148 2.940 209 1HG ARG 29 1HG ARG 29 3.665 1.252 3.190 210 2HG ARG 29 2HG ARG 29 2.743 0.300 2.043 211 1HD ARG 29 1HD ARG 29 1.350 -0.016 3.854 212 2HD ARG 29 2HD ARG 29 2.474 -1.308 4.224 213 HE ARG 29 HE ARG 29 3.338 1.260 5.316 214 1HH1 ARG 29 2HH2 ARG 29 1.262 -1.550 5.911 215 2HH1 ARG 29 1HH2 ARG 29 1.250 -1.332 7.630 216 1HH2 ARG 29 1HH ARG 29 2.467 0.496 8.590 217 H ILE 30 H ILE 30 2.783 -0.240 -0.189 218 HA ILE 30 HA ILE 30 4.894 1.292 -1.536 219 HB ILE 30 HB ILE 30 3.217 1.428 -3.397 220 1HG1 ILE 30 1HG1 ILE 30 1.777 -0.974 -2.595 221 2HG1 ILE 30 2HG1 ILE 30 1.471 0.352 -1.491 222 1HG2 ILE 30 1HG2 ILE 30 3.932 -0.572 -4.362 223 2HG2 ILE 30 2HG2 ILE 30 5.191 -0.203 -3.160 224 3HG2 ILE 30 3HG2 ILE 30 3.954 -1.432 -2.804 225 1HD1 ILE 30 1HD1 ILE 30 -0.104 0.912 -3.074 226 2HD1 ILE 30 2HD1 ILE 30 1.288 1.706 -3.849 227 3HD1 ILE 30 3HD1 ILE 30 0.773 0.088 -4.387 228 H CYS 31 H CYS 31 4.464 3.532 -2.071 229 HA CYS 31 HA CYS 31 2.275 4.672 -0.502 230 1HB CYS 31 1HB CYS 31 5.110 5.031 -0.076 231 2HB CYS 31 2HB CYS 31 4.365 6.558 -0.503 232 H VAL 32 H VAL 32 1.385 6.634 -1.453 233 HA VAL 32 HA VAL 32 2.523 7.570 -3.929 234 HB VAL 32 HB VAL 32 1.333 5.748 -4.832 235 1HG1 VAL 32 1HG1 VAL 32 -0.165 4.788 -3.446 236 2HG1 VAL 32 2HG1 VAL 32 -0.595 6.334 -2.675 237 3HG1 VAL 32 3HG1 VAL 32 -1.334 5.877 -4.229 238 1HG2 VAL 32 1HG2 VAL 32 -0.752 7.883 -5.168 239 2HG2 VAL 32 2HG2 VAL 32 0.912 8.192 -5.719 240 3HG2 VAL 32 3HG2 VAL 32 -0.005 6.817 -6.382 241 H CYS 33 H CYS 33 1.852 9.693 -4.412 242 HA CYS 33 HA CYS 33 0.471 10.957 -2.201 243 1HB CYS 33 1HB CYS 33 2.597 11.900 -2.924 244 2HB CYS 33 2HB CYS 33 1.981 12.119 -4.549 245 H ASP 34 H ASP 34 -1.525 9.648 -3.087 246 HA ASP 34 HA ASP 34 -2.611 10.593 -5.521 247 1HB ASP 34 1HB ASP 34 -2.986 8.324 -4.210 248 2HB ASP 34 2HB ASP 34 -4.201 9.225 -3.326 249 HD2 ASP 34 HD ASP 34 -4.262 7.169 -6.056 250 H THR 35 H THR 35 -3.897 12.437 -5.767 251 HA THR 35 HA THR 35 -5.129 14.223 -5.278 252 HB THR 35 HB THR 35 -5.908 12.569 -2.817 253 HG1 THR 35 1HG THR 35 -7.610 11.952 -4.346 254 1HG2 THR 35 1HG2 THR 35 -7.978 14.232 -4.037 255 2HG2 THR 35 2HG2 THR 35 -7.445 14.192 -2.339 256 3HG2 THR 35 3HG2 THR 35 -6.615 15.246 -3.509 257 H GLY 36 H GLY 36 -2.292 13.949 -4.398 258 1HA GLY 36 1HA GLY 36 -0.859 15.443 -3.470 259 2HA GLY 36 2HA GLY 36 -2.212 16.365 -2.847 260 H THR 37 H THR 37 -2.800 13.165 -1.979 261 HA THR 37 HA THR 37 -1.523 13.594 0.641 262 HB THR 37 HB THR 37 -4.051 12.047 -0.143 263 HG1 THR 37 1HG THR 37 -3.453 14.565 1.249 264 1HG2 THR 37 1HG2 THR 37 -3.930 11.175 1.966 265 2HG2 THR 37 2HG2 THR 37 -2.430 12.077 2.289 266 3HG2 THR 37 3HG2 THR 37 -4.009 12.836 2.600 267 H VAL 38 H VAL 38 -0.193 12.075 1.517 268 HA VAL 38 HA VAL 38 0.741 10.066 -0.317 269 HB VAL 38 HB VAL 38 1.557 10.947 2.454 270 1HG1 VAL 38 1HG1 VAL 38 3.511 9.497 2.247 271 2HG1 VAL 38 2HG1 VAL 38 2.014 8.536 2.167 272 3HG1 VAL 38 3HG1 VAL 38 2.922 8.894 0.679 273 1HG2 VAL 38 1HG2 VAL 38 2.667 12.534 1.347 274 2HG2 VAL 38 2HG2 VAL 38 3.641 11.262 0.572 275 3HG2 VAL 38 3HG2 VAL 38 2.162 11.858 -0.219 276 H LEU 39 H LEU 39 -0.878 8.510 -0.574 277 HA LEU 39 HA LEU 39 -1.916 7.301 1.869 278 1HB LEU 39 1HB LEU 39 -3.249 8.108 -0.270 279 2HB LEU 39 2HB LEU 39 -2.804 6.523 -0.872 280 HG LEU 39 HG LEU 39 -3.778 5.758 1.498 281 1HD1 LEU 39 1HD1 LEU 39 -5.204 7.140 2.549 282 2HD1 LEU 39 2HD1 LEU 39 -4.283 8.418 1.720 283 3HD1 LEU 39 3HD1 LEU 39 -5.819 7.838 1.032 284 1HD2 LEU 39 1HD2 LEU 39 -6.106 6.067 -0.051 285 2HD2 LEU 39 2HD2 LEU 39 -4.762 5.912 -1.208 286 3HD2 LEU 39 3HD2 LEU 39 -5.022 4.657 0.029 287 H CYS 40 H CYS 40 -0.931 5.546 2.700 288 HA CYS 40 HA CYS 40 0.744 4.004 0.866 289 1HB CYS 40 1HB CYS 40 1.229 5.063 3.441 290 2HB CYS 40 2HB CYS 40 1.125 3.325 3.638 291 H ASP 41 H ASP 41 0.115 1.911 0.381 292 HA ASP 41 HA ASP 41 -1.933 0.772 2.114 293 1HB ASP 41 1HB ASP 41 -2.146 1.482 -0.647 294 2HB ASP 41 2HB ASP 41 -2.044 -0.267 -0.610 295 HD2 ASP 41 HD ASP 41 -4.186 -0.421 -1.247 296 H ASP 42 H ASP 42 -1.778 -1.592 2.345 297 HA ASP 42 HA ASP 42 0.793 -2.556 2.366 298 1HB ASP 42 1HB ASP 42 -0.529 -4.862 2.458 299 2HB ASP 42 2HB ASP 42 -0.623 -3.729 3.792 300 HD2 ASP 42 HD ASP 42 -2.926 -3.771 4.430 301 H ILE 43 H ILE 43 1.656 -4.479 1.076 302 HA ILE 43 HA ILE 43 0.953 -4.146 -1.718 303 HB ILE 43 HB ILE 43 3.238 -5.472 -0.271 304 1HG1 ILE 43 1HG1 ILE 43 3.035 -3.035 -2.062 305 2HG1 ILE 43 2HG1 ILE 43 3.353 -3.052 -0.339 306 1HG2 ILE 43 1HG2 ILE 43 3.167 -6.912 -2.037 307 2HG2 ILE 43 2HG2 ILE 43 2.347 -5.750 -3.105 308 3HG2 ILE 43 3HG2 ILE 43 4.090 -5.586 -2.784 309 1HD1 ILE 43 1HD1 ILE 43 5.559 -3.105 -0.878 310 2HD1 ILE 43 2HD1 ILE 43 5.297 -4.796 -1.368 311 3HD1 ILE 43 3HD1 ILE 43 5.203 -3.494 -2.578 312 H ILE 44 H ILE 44 -0.933 -5.234 -2.174 313 HA ILE 44 HA ILE 44 -1.207 -7.937 -1.130 314 HB ILE 44 HB ILE 44 -3.493 -7.723 -2.184 315 1HG1 ILE 44 1HG1 ILE 44 -2.881 -4.767 -2.312 316 2HG1 ILE 44 2HG1 ILE 44 -2.711 -5.809 -3.711 317 1HG2 ILE 44 1HG2 ILE 44 -2.420 -6.294 0.175 318 2HG2 ILE 44 2HG2 ILE 44 -4.043 -5.801 -0.363 319 3HG2 ILE 44 3HG2 ILE 44 -3.720 -7.503 0.046 320 1HD1 ILE 44 1HD1 ILE 44 -4.923 -5.419 -4.071 321 2HD1 ILE 44 2HD1 ILE 44 -5.216 -6.539 -2.720 322 3HD1 ILE 44 3HD1 ILE 44 -5.159 -4.786 -2.424 323 H CYS 45 H CYS 45 -0.223 -9.521 -2.265 324 HA CYS 45 HA CYS 45 0.187 -9.119 -5.097 325 1HB CYS 45 1HB CYS 45 1.023 -11.544 -3.524 326 2HB CYS 45 2HB CYS 45 1.697 -10.916 -5.016 327 H GLU 46 H GLU 46 -0.207 -11.278 -6.466 328 HA GLU 46 HA GLU 46 -2.901 -11.673 -6.580 329 1HB GLU 46 1HB GLU 46 -0.498 -12.800 -7.832 330 2HB GLU 46 2HB GLU 46 -1.763 -14.003 -7.683 331 1HG GLU 46 1HG GLU 46 -3.298 -12.750 -8.992 332 2HG GLU 46 2HG GLU 46 -2.446 -11.241 -8.729 333 HE2 GLU 46 HE GLU 46 -1.665 -14.027 -11.323 334 H ASP 47 H ASP 47 -4.169 -13.740 -6.252 335 HA ASP 47 HA ASP 47 -3.237 -15.787 -4.681 336 1HB ASP 47 1HB ASP 47 -4.144 -15.315 -2.486 337 2HB ASP 47 2HB ASP 47 -3.102 -13.977 -2.926 338 HD2 ASP 47 HD ASP 47 -4.969 -11.629 -3.113 339 H VAL 48 H VAL 48 -5.689 -16.283 -3.143 340 HA VAL 48 HA VAL 48 -7.464 -16.849 -5.357 341 HB VAL 48 HB VAL 48 -6.672 -18.333 -3.299 342 1HG1 VAL 48 1HG1 VAL 48 -9.337 -17.344 -2.269 343 2HG1 VAL 48 2HG1 VAL 48 -8.140 -18.383 -1.456 344 3HG1 VAL 48 3HG1 VAL 48 -7.793 -16.656 -1.711 345 1HG2 VAL 48 1HG2 VAL 48 -7.991 -19.825 -4.307 346 2HG2 VAL 48 2HG2 VAL 48 -9.462 -18.975 -3.774 347 3HG2 VAL 48 3HG2 VAL 48 -8.650 -18.489 -5.283 348 H LYS 49 H LYS 49 -9.974 -16.803 -4.177 349 HA LYS 49 HA LYS 49 -10.282 -13.939 -3.599 350 1HB LYS 49 1HB LYS 49 -11.552 -15.692 -5.562 351 2HB LYS 49 2HB LYS 49 -12.728 -14.873 -4.553 352 1HG LYS 49 1HG LYS 49 -10.534 -13.082 -5.390 353 2HG LYS 49 2HG LYS 49 -11.384 -13.771 -6.758 354 1HD LYS 49 1HD LYS 49 -12.867 -12.060 -6.417 355 2HD LYS 49 2HD LYS 49 -13.517 -13.101 -5.166 356 1HE LYS 49 1HE LYS 49 -12.445 -11.917 -3.424 357 2HE LYS 49 2HE LYS 49 -11.197 -11.285 -4.478 358 1HZ LYS 49 1HZ LYS 49 -12.921 -9.887 -5.542 359 2HZ LYS 49 2HZ LYS 49 -14.047 -10.444 -4.507 360 H ASP 50 H ASP 50 -12.474 -16.807 -3.333 361 HA ASP 50 HA ASP 50 -13.795 -16.052 -1.163 362 1HB ASP 50 1HB ASP 50 -13.309 -18.502 -2.555 363 2HB ASP 50 2HB ASP 50 -13.111 -18.869 -0.853 364 HD2 ASP 50 HD ASP 50 -15.034 -19.962 -2.239 365 H CYS 51 H CYS 51 -10.972 -18.370 -1.033 366 HA CYS 51 HA CYS 51 -9.626 -18.920 0.631 367 1HB CYS 51 1HB CYS 51 -9.055 -16.384 -0.206 368 2HB CYS 51 2HB CYS 51 -9.202 -16.142 1.524 369 H LEU 52 H LEU 52 -9.141 -17.282 3.124 370 HA LEU 52 HA LEU 52 -11.748 -17.485 4.425 371 1HB LEU 52 1HB LEU 52 -10.321 -19.619 4.617 372 2HB LEU 52 2HB LEU 52 -9.289 -18.679 5.677 373 HG LEU 52 HG LEU 52 -12.161 -18.576 6.361 374 1HD1 LEU 52 1HD1 LEU 52 -12.341 -20.817 5.801 375 2HD1 LEU 52 2HD1 LEU 52 -10.661 -21.180 6.267 376 3HD1 LEU 52 3HD1 LEU 52 -11.888 -20.881 7.522 377 1HD2 LEU 52 1HD2 LEU 52 -10.403 -19.491 8.448 378 2HD2 LEU 52 2HD2 LEU 52 -9.677 -18.103 7.604 379 3HD2 LEU 52 3HD2 LEU 52 -11.304 -17.962 8.312 380 H SER 53 H SER 53 -8.289 -16.926 5.389 381 HA SER 53 HA SER 53 -9.032 -14.190 5.965 382 1HB SER 53 1HB SER 53 -8.851 -16.134 7.995 383 2HB SER 53 2HB SER 53 -7.313 -15.296 8.075 384 HG SER 53 HG SER 53 -9.140 -13.367 7.779 385 HA PRO 54 HA PRO 54 -5.030 -13.581 4.358 386 1HB PRO 54 1HB PRO 54 -4.536 -11.012 5.148 387 2HB PRO 54 2HB PRO 54 -5.520 -11.413 3.755 388 1HG PRO 54 1HG PRO 54 -6.379 -10.467 6.420 389 2HG PRO 54 2HG PRO 54 -7.274 -10.465 4.913 390 1HD PRO 54 1HD PRO 54 -7.602 -12.290 7.102 391 2HD PRO 54 2HD PRO 54 -8.414 -12.358 5.550 392 H GLU 55 H GLU 55 -2.983 -14.174 4.795 393 HA GLU 55 HA GLU 55 -2.027 -13.479 7.412 394 1HB GLU 55 1HB GLU 55 -3.025 -16.149 6.776 395 2HB GLU 55 2HB GLU 55 -1.321 -16.217 7.179 396 1HG GLU 55 1HG GLU 55 -1.710 -15.078 9.313 397 2HG GLU 55 2HG GLU 55 -3.380 -14.753 8.893 398 HE2 GLU 55 HE GLU 55 -3.544 -16.417 11.125 399 H ILE 56 H ILE 56 0.209 -13.171 7.418 400 HA ILE 56 HA ILE 56 1.482 -13.519 4.825 401 HB ILE 56 HB ILE 56 1.421 -11.435 6.568 402 1HG1 ILE 56 1HG1 ILE 56 3.757 -11.904 4.714 403 2HG1 ILE 56 2HG1 ILE 56 2.135 -11.644 4.103 404 1HG2 ILE 56 1HG2 ILE 56 4.073 -12.833 7.015 405 2HG2 ILE 56 2HG2 ILE 56 3.644 -11.191 7.555 406 3HG2 ILE 56 3HG2 ILE 56 2.789 -12.600 8.226 407 1HD1 ILE 56 1HD1 ILE 56 2.464 -9.416 4.319 408 2HD1 ILE 56 2HD1 ILE 56 2.542 -9.635 6.083 409 3HD1 ILE 56 3HD1 ILE 56 4.032 -9.692 5.113 410 HA PRO 57 HA PRO 57 3.463 -17.062 6.414 411 1HB PRO 57 1HB PRO 57 4.772 -17.786 4.126 412 2HB PRO 57 2HB PRO 57 3.113 -18.238 4.465 413 1HG PRO 57 1HG PRO 57 4.129 -16.183 2.598 414 2HG PRO 57 2HG PRO 57 2.549 -16.939 2.645 415 1HD PRO 57 1HD PRO 57 3.221 -14.304 3.560 416 2HD PRO 57 2HD PRO 57 1.668 -15.103 3.711 417 H PHE 58 H PHE 58 4.961 -16.797 7.941 418 HA PHE 58 HA PHE 58 6.885 -16.223 8.852 419 1HB PHE 58 1HB PHE 58 7.824 -17.850 7.265 420 2HB PHE 58 2HB PHE 58 7.664 -16.729 5.928 421 HD1 PHE 58 1HD PHE 58 9.078 -15.981 9.276 422 HD2 PHE 58 2HD PHE 58 9.878 -16.622 5.158 423 HE1 PHE 58 1HE PHE 58 11.449 -15.232 9.620 424 HE2 PHE 58 2HE PHE 58 12.249 -15.872 5.503 425 HZ PHE 58 HZ PHE 58 13.006 -15.186 7.729 426 H GLY 59 H GLY 59 8.163 -14.875 5.834 427 1HA GLY 59 1HA GLY 59 7.450 -12.152 6.655 428 2HA GLY 59 2HA GLY 59 9.149 -12.576 6.576 429 H GLU 60 H GLU 60 6.297 -11.703 4.768 430 HA GLU 60 HA GLU 60 7.894 -11.909 2.340 431 1HB GLU 60 1HB GLU 60 4.876 -12.265 2.358 432 2HB GLU 60 2HB GLU 60 5.994 -12.622 1.057 433 1HG GLU 60 1HG GLU 60 6.585 -14.059 3.598 434 2HG GLU 60 2HG GLU 60 5.043 -14.480 2.878 435 HE2 GLU 60 HE GLU 60 8.549 -15.444 1.428 436 H CYS 61 H CYS 61 5.434 -10.712 0.902 437 HA CYS 61 HA CYS 61 5.467 -8.057 2.104 438 1HB CYS 61 1HB CYS 61 6.382 -8.770 -0.667 439 2HB CYS 61 2HB CYS 61 5.650 -7.209 -0.353 440 H CYS 62 H CYS 62 3.642 -10.562 1.658 441 HA CYS 62 HA CYS 62 1.417 -9.009 0.583 442 1HB CYS 62 1HB CYS 62 1.417 -11.906 -0.040 443 2HB CYS 62 2HB CYS 62 0.743 -10.556 -0.931 444 HA PRO 63 HA PRO 63 0.408 -10.775 4.593 445 1HB PRO 63 1HB PRO 63 -1.005 -8.636 5.539 446 2HB PRO 63 2HB PRO 63 0.714 -8.840 5.803 447 1HG PRO 63 1HG PRO 63 -0.671 -7.007 3.943 448 2HG PRO 63 2HG PRO 63 0.980 -6.937 4.527 449 1HD PRO 63 1HD PRO 63 0.110 -7.825 1.941 450 2HD PRO 63 2HD PRO 63 1.747 -7.863 2.567 451 H ILE 64 H ILE 64 -0.741 -11.935 2.560 452 HA ILE 64 HA ILE 64 -3.521 -11.899 3.417 453 HB ILE 64 HB ILE 64 -4.455 -11.409 1.410 454 1HG1 ILE 64 1HG1 ILE 64 -1.940 -12.507 0.184 455 2HG1 ILE 64 2HG1 ILE 64 -3.600 -13.024 -0.036 456 1HG2 ILE 64 1HG2 ILE 64 -3.243 -9.432 2.237 457 2HG2 ILE 64 2HG2 ILE 64 -1.852 -9.870 1.214 458 3HG2 ILE 64 3HG2 ILE 64 -3.407 -9.436 0.465 459 1HD1 ILE 64 1HD1 ILE 64 -4.045 -10.738 -1.130 460 2HD1 ILE 64 2HD1 ILE 64 -2.279 -10.509 -1.131 461 3HD1 ILE 64 3HD1 ILE 64 -3.003 -11.854 -2.046 462 H CYS 65 H CYS 65 -4.657 -13.806 1.978 463 HA CYS 65 HA CYS 65 -2.915 -16.078 2.482 464 1HB CYS 65 1HB CYS 65 -4.980 -17.413 2.354 465 2HB CYS 65 2HB CYS 65 -5.012 -16.191 3.611 466 HA PRO 66 HA PRO 66 -2.484 -16.250 -1.901 467 1HB PRO 66 1HB PRO 66 -0.596 -18.224 -1.987 468 2HB PRO 66 2HB PRO 66 -0.202 -16.530 -1.770 469 1HG PRO 66 1HG PRO 66 -0.203 -18.704 0.233 470 2HG PRO 66 2HG PRO 66 0.576 -17.136 0.314 471 1HD PRO 66 1HD PRO 66 -1.838 -17.924 1.648 472 2HD PRO 66 2HD PRO 66 -1.121 -16.324 1.636 473 H ALA 67 H ALA 67 -2.620 -17.880 -3.719 474 HA ALA 67 HA ALA 67 -4.678 -19.787 -2.874 475 1HB ALA 67 1HB ALA 67 -5.723 -19.356 -4.852 476 2HB ALA 67 2HB ALA 67 -4.756 -17.862 -4.809 477 3HB ALA 67 3HB ALA 67 -4.194 -19.260 -5.758 478 H ASP 68 H ASP 68 -3.335 -21.475 -2.100 479 HA ASP 68 HA ASP 68 -2.444 -23.205 -4.084 480 1HB ASP 68 1HB ASP 68 -0.541 -21.406 -3.899 481 2HB ASP 68 2HB ASP 68 -0.176 -22.149 -2.354 482 HD2 ASP 68 HD ASP 68 0.802 -23.101 -5.833 483 H LEU 69 H LEU 69 -1.789 -22.043 -0.695 484 HA LEU 69 HA LEU 69 -1.826 -24.787 0.254 485 1HB LEU 69 1HB LEU 69 -0.856 -24.000 2.203 486 2HB LEU 69 2HB LEU 69 -0.109 -23.057 0.930 487 HG LEU 69 HG LEU 69 -2.091 -21.361 1.563 488 1HD1 LEU 69 1HD1 LEU 69 -3.200 -21.894 3.408 489 2HD1 LEU 69 2HD1 LEU 69 -2.165 -23.318 3.672 490 3HD1 LEU 69 3HD1 LEU 69 -1.684 -21.734 4.326 491 1HD2 LEU 69 1HD2 LEU 69 0.136 -21.175 3.483 492 2HD2 LEU 69 2HD2 LEU 69 0.625 -21.388 1.785 493 3HD2 LEU 69 3HD2 LEU 69 -0.423 -20.025 2.245 494 H ALA 70 H ALA 70 -3.597 -25.751 1.103 495 HA ALA 70 HA ALA 70 -5.660 -26.039 1.844 496 1HB ALA 70 1HB ALA 70 -5.736 -23.251 2.982 497 2HB ALA 70 2HB ALA 70 -6.314 -24.780 3.688 498 3HB ALA 70 3HB ALA 70 -4.570 -24.428 3.633 499 H ALA 71 H ALA 71 -6.197 -25.989 -0.524 500 HA ALA 71 HA ALA 71 -7.730 -23.581 -1.211 501 1HB ALA 71 1HB ALA 71 -5.939 -25.402 -2.677 502 2HB ALA 71 2HB ALA 71 -7.488 -25.118 -3.507 503 3HB ALA 71 3HB ALA 71 -6.449 -23.742 -3.068 504 H ALA 72 H ALA 72 -9.870 -23.848 -2.116 505 HA ALA 72 HA ALA 72 -11.151 -26.256 -1.084 506 1HB ALA 72 1HB ALA 72 -11.864 -23.812 -0.572 507 2HB ALA 72 2HB ALA 72 -12.521 -23.809 -2.226 508 3HB ALA 72 3HB ALA 72 -13.132 -24.976 -1.028 509 H ALA 73 H ALA 73 -12.926 -27.234 -2.466 510 HA ALA 73 HA ALA 73 -11.874 -28.086 -4.884 511 1HB ALA 73 1HB ALA 73 -14.558 -28.568 -5.126 512 2HB ALA 73 2HB ALA 73 -13.443 -29.571 -4.168 513 3HB ALA 73 3HB ALA 73 -14.417 -28.312 -3.370 Start of MODEL 2 1 1H TYR 1 H TYR 1 -8.105 11.533 6.026 2 HA TYR 1 HA TYR 1 -10.396 12.050 6.302 3 1HB TYR 1 1HB TYR 1 -9.603 10.888 8.958 4 2HB TYR 1 2HB TYR 1 -10.713 12.237 9.092 5 HD1 TYR 1 1HD TYR 1 -12.942 11.654 9.282 6 HD2 TYR 1 2HD TYR 1 -10.370 9.187 6.914 7 HE1 TYR 1 1HE TYR 1 -14.886 10.094 8.783 8 HE2 TYR 1 2HE TYR 1 -12.324 7.635 6.423 9 HH TYR 1 HH TYR 1 -14.564 7.502 6.453 10 H VAL 2 H VAL 2 -10.404 14.183 5.813 11 HA VAL 2 HA VAL 2 -9.756 16.084 7.835 12 HB VAL 2 HB VAL 2 -7.513 15.441 6.977 13 1HG1 VAL 2 1HG1 VAL 2 -8.401 15.076 4.590 14 2HG1 VAL 2 2HG1 VAL 2 -8.247 16.839 4.400 15 3HG1 VAL 2 3HG1 VAL 2 -6.811 15.855 4.771 16 1HG2 VAL 2 1HG2 VAL 2 -8.149 17.739 7.895 17 2HG2 VAL 2 2HG2 VAL 2 -6.671 17.653 6.908 18 3HG2 VAL 2 3HG2 VAL 2 -8.175 18.291 6.203 19 H GLU 3 H GLU 3 -10.196 18.353 7.011 20 HA GLU 3 HA GLU 3 -12.306 18.137 5.028 21 1HB GLU 3 1HB GLU 3 -11.745 20.065 7.297 22 2HB GLU 3 2HB GLU 3 -12.820 20.534 5.996 23 1HG GLU 3 1HG GLU 3 -14.436 18.935 6.553 24 2HG GLU 3 2HG GLU 3 -13.267 17.833 7.251 25 HE2 GLU 3 HE GLU 3 -14.878 20.732 9.479 26 H PHE 4 H PHE 4 -9.698 20.465 6.051 27 HA PHE 4 HA PHE 4 -9.773 21.829 3.573 28 1HB PHE 4 1HB PHE 4 -8.050 21.660 6.074 29 2HB PHE 4 2HB PHE 4 -7.376 22.496 4.688 30 HD1 PHE 4 1HD PHE 4 -9.293 24.142 3.561 31 HD2 PHE 4 2HD PHE 4 -8.974 23.049 7.649 32 HE1 PHE 4 1HE PHE 4 -10.533 26.224 4.215 33 HE2 PHE 4 2HE PHE 4 -10.213 25.132 8.303 34 HZ PHE 4 HZ PHE 4 -10.978 26.694 6.578 35 H GLN 5 H GLN 5 -8.883 21.244 1.653 36 HA GLN 5 HA GLN 5 -6.789 19.220 1.788 37 1HB GLN 5 1HB GLN 5 -7.488 18.528 -0.464 38 2HB GLN 5 2HB GLN 5 -8.856 18.489 0.631 39 1HG GLN 5 1HG GLN 5 -8.535 21.125 -0.663 40 2HG GLN 5 2HG GLN 5 -8.745 19.835 -1.831 41 1HE2 GLN 5 1HE2 GLN 5 -10.391 22.107 -0.419 42 2HE2 GLN 5 2HE2 GLN 5 -11.935 21.374 -0.133 43 H GLU 6 H GLU 6 -5.277 19.341 -0.281 44 HA GLU 6 HA GLU 6 -4.966 21.859 -1.464 45 1HB GLU 6 1HB GLU 6 -3.631 21.447 1.109 46 2HB GLU 6 2HB GLU 6 -2.459 21.741 -0.160 47 1HG GLU 6 1HG GLU 6 -3.053 23.933 -0.345 48 2HG GLU 6 2HG GLU 6 -4.761 23.547 -0.411 49 HE2 GLU 6 HE GLU 6 -3.191 25.100 2.743 50 H ALA 7 H ALA 7 -3.906 21.532 -3.394 51 HA ALA 7 HA ALA 7 -2.396 19.019 -3.612 52 1HB ALA 7 1HB ALA 7 -3.222 20.164 -6.145 53 2HB ALA 7 2HB ALA 7 -3.623 18.579 -5.442 54 3HB ALA 7 3HB ALA 7 -4.622 20.001 -5.059 55 H GLY 8 H GLY 8 -0.233 19.353 -3.618 56 1HA GLY 8 1HA GLY 8 0.847 21.446 -5.332 57 2HA GLY 8 2HA GLY 8 1.178 21.604 -3.619 58 H SER 9 H SER 9 1.917 19.376 -2.536 59 HA SER 9 HA SER 9 3.125 17.455 -4.082 60 1HB SER 9 1HB SER 9 4.721 19.035 -4.910 61 2HB SER 9 2HB SER 9 4.933 19.778 -3.337 62 HG SER 9 HG SER 9 6.326 18.232 -2.734 63 H CYS 10 H CYS 10 4.350 15.897 -2.715 64 HA CYS 10 HA CYS 10 3.789 16.379 0.119 65 1HB CYS 10 1HB CYS 10 3.925 13.793 -1.441 66 2HB CYS 10 2HB CYS 10 3.838 13.876 0.308 67 H VAL 11 H VAL 11 5.481 15.882 1.643 68 HA VAL 11 HA VAL 11 8.123 15.783 0.393 69 HB VAL 11 HB VAL 11 7.290 17.618 2.019 70 1HG1 VAL 11 1HG1 VAL 11 7.380 17.214 4.334 71 2HG1 VAL 11 2HG1 VAL 11 6.487 15.819 3.679 72 3HG1 VAL 11 3HG1 VAL 11 8.203 15.649 4.122 73 1HG2 VAL 11 1HG2 VAL 11 9.475 18.146 2.446 74 2HG2 VAL 11 2HG2 VAL 11 9.893 16.494 2.962 75 3HG2 VAL 11 3HG2 VAL 11 9.729 16.871 1.230 76 H GLN 12 H GLN 12 8.974 13.777 0.201 77 HA GLN 12 HA GLN 12 8.333 11.913 2.352 78 1HB GLN 12 1HB GLN 12 7.799 11.575 -0.309 79 2HB GLN 12 2HB GLN 12 9.396 10.860 -0.234 80 1HG GLN 12 1HG GLN 12 7.033 10.098 1.550 81 2HG GLN 12 2HG GLN 12 7.610 9.170 0.180 82 1HE2 GLN 12 1HE2 GLN 12 7.396 8.252 2.839 83 2HE2 GLN 12 2HE2 GLN 12 8.971 7.843 3.430 84 H ASP 13 H ASP 13 10.036 12.194 3.790 85 HA ASP 13 HA ASP 13 12.034 11.907 4.596 86 1HB ASP 13 1HB ASP 13 12.142 10.343 2.158 87 2HB ASP 13 2HB ASP 13 13.686 11.146 2.364 88 HD2 ASP 13 HD ASP 13 14.656 8.520 4.167 89 H GLY 14 H GLY 14 11.085 14.153 2.471 90 1HA GLY 14 1HA GLY 14 12.058 16.311 2.485 91 2HA GLY 14 2HA GLY 14 13.656 15.592 2.528 92 H GLN 15 H GLN 15 11.203 14.141 0.433 93 HA GLN 15 HA GLN 15 12.598 15.346 -1.831 94 1HB GLN 15 1HB GLN 15 11.611 12.540 -1.328 95 2HB GLN 15 2HB GLN 15 11.630 13.132 -2.977 96 1HG GLN 15 1HG GLN 15 14.097 13.543 -1.283 97 2HG GLN 15 2HG GLN 15 13.776 11.936 -1.905 98 1HE2 GLN 15 1HE2 GLN 15 15.963 13.614 -2.573 99 2HE2 GLN 15 2HE2 GLN 15 15.903 13.969 -4.267 100 H ARG 16 H ARG 16 11.368 16.568 -3.211 101 HA ARG 16 HA ARG 16 8.591 16.757 -2.617 102 1HB ARG 16 1HB ARG 16 8.674 18.544 -4.457 103 2HB ARG 16 2HB ARG 16 9.728 18.836 -3.086 104 1HG ARG 16 1HG ARG 16 11.139 17.213 -5.044 105 2HG ARG 16 2HG ARG 16 10.462 18.616 -5.845 106 1HD ARG 16 1HD ARG 16 11.498 20.092 -4.079 107 2HD ARG 16 2HD ARG 16 12.222 18.675 -3.345 108 HE ARG 16 HE ARG 16 13.854 18.695 -5.014 109 1HH1 ARG 16 2HH2 ARG 16 11.050 20.523 -6.176 110 2HH1 ARG 16 1HH2 ARG 16 11.835 21.040 -7.631 111 1HH2 ARG 16 1HH ARG 16 14.091 20.353 -8.057 112 H TYR 17 H TYR 17 7.168 15.287 -3.503 113 HA TYR 17 HA TYR 17 7.693 14.444 -6.274 114 1HB TYR 17 1HB TYR 17 6.566 13.066 -3.767 115 2HB TYR 17 2HB TYR 17 6.317 12.380 -5.361 116 HD1 TYR 17 1HD TYR 17 8.365 12.290 -2.526 117 HD2 TYR 17 2HD TYR 17 8.585 12.134 -6.796 118 HE1 TYR 17 1HE TYR 17 10.611 11.107 -2.375 119 HE2 TYR 17 2HE TYR 17 10.830 10.952 -6.630 120 HH TYR 17 HH TYR 17 11.896 9.386 -4.637 121 H ASN 18 H ASN 18 5.944 14.408 -7.714 122 HA ASN 18 HA ASN 18 3.985 16.248 -7.331 123 1HB ASN 18 1HB ASN 18 4.790 14.538 -9.391 124 2HB ASN 18 2HB ASN 18 3.175 13.950 -9.045 125 1HD2 ASN 18 1HD2 ASN 18 4.970 17.000 -9.439 126 2HD2 ASN 18 2HD2 ASN 18 3.758 17.857 -10.330 127 H ASP 19 H ASP 19 1.472 15.105 -7.952 128 HA ASP 19 HA ASP 19 0.799 14.005 -5.413 129 1HB ASP 19 1HB ASP 19 -0.873 14.601 -7.900 130 2HB ASP 19 2HB ASP 19 -1.551 14.073 -6.371 131 HD2 ASP 19 HD ASP 19 -1.667 17.485 -7.298 132 H LYS 20 H LYS 20 -0.063 13.088 -8.843 133 HA LYS 20 HA LYS 20 -0.743 10.459 -8.212 134 1HB LYS 20 1HB LYS 20 -1.072 12.064 -10.360 135 2HB LYS 20 2HB LYS 20 0.248 11.072 -10.947 136 1HG LYS 20 1HG LYS 20 -1.316 9.508 -11.473 137 2HG LYS 20 2HG LYS 20 -1.445 9.191 -9.755 138 1HD LYS 20 1HD LYS 20 -3.603 9.877 -9.852 139 2HD LYS 20 2HD LYS 20 -3.025 11.502 -10.159 140 1HE LYS 20 1HE LYS 20 -3.509 11.400 -12.411 141 2HE LYS 20 2HE LYS 20 -3.005 9.727 -12.552 142 1HZ LYS 20 1HZ LYS 20 -5.593 10.686 -11.461 143 2HZ LYS 20 2HZ LYS 20 -5.373 9.819 -12.821 144 H ASP 21 H ASP 21 2.320 12.033 -8.337 145 HA ASP 21 HA ASP 21 3.930 10.077 -9.348 146 1HB ASP 21 1HB ASP 21 4.223 12.321 -7.385 147 2HB ASP 21 2HB ASP 21 5.484 11.104 -7.331 148 HD2 ASP 21 HD ASP 21 3.882 12.476 -10.195 149 H VAL 22 H VAL 22 4.345 7.983 -8.619 150 HA VAL 22 HA VAL 22 3.679 7.406 -5.820 151 HB VAL 22 HB VAL 22 3.877 5.502 -8.159 152 1HG1 VAL 22 1HG1 VAL 22 3.763 3.915 -6.597 153 2HG1 VAL 22 2HG1 VAL 22 3.621 5.137 -5.310 154 3HG1 VAL 22 3HG1 VAL 22 2.161 4.535 -6.130 155 1HG2 VAL 22 1HG2 VAL 22 1.992 6.532 -8.862 156 2HG2 VAL 22 2HG2 VAL 22 1.222 5.595 -7.560 157 3HG2 VAL 22 3HG2 VAL 22 1.687 7.289 -7.281 158 H TRP 23 H TRP 23 5.161 6.213 -4.532 159 HA TRP 23 HA TRP 23 7.798 5.806 -5.743 160 1HB TRP 23 1HB TRP 23 8.893 6.776 -3.822 161 2HB TRP 23 2HB TRP 23 7.879 7.958 -4.624 162 HD1 TRP 23 HD TRP 23 7.979 5.874 -1.364 163 HE1 TRP 23 1HE TRP 23 6.434 6.941 0.490 164 HE3 TRP 23 3HE TRP 23 5.926 9.420 -4.374 165 HZ2 TRP 23 2HZ TRP 23 4.568 9.100 0.489 166 HZ3 TRP 23 3HZ TRP 23 4.252 10.969 -3.368 167 HH2 TRP 23 HH TRP 23 3.566 10.850 -1.025 168 H LYS 24 H LYS 24 9.002 4.073 -4.711 169 HA LYS 24 HA LYS 24 7.254 2.339 -3.112 170 1HB LYS 24 1HB LYS 24 8.295 1.755 -5.520 171 2HB LYS 24 2HB LYS 24 9.645 1.248 -4.523 172 1HG LYS 24 1HG LYS 24 8.530 -0.686 -4.122 173 2HG LYS 24 2HG LYS 24 7.382 0.236 -3.171 174 1HD LYS 24 1HD LYS 24 5.848 -0.537 -4.683 175 2HD LYS 24 2HD LYS 24 6.440 0.765 -5.694 176 1HE LYS 24 1HE LYS 24 8.267 -0.997 -6.455 177 2HE LYS 24 2HE LYS 24 7.150 -2.181 -5.807 178 1HZ LYS 24 1HZ LYS 24 6.677 -0.299 -8.034 179 2HZ LYS 24 2HZ LYS 24 6.500 -1.918 -8.033 180 HA PRO 25 HA PRO 25 10.274 3.452 -0.087 181 1HB PRO 25 1HB PRO 25 8.706 2.969 2.098 182 2HB PRO 25 2HB PRO 25 8.763 4.520 1.283 183 1HG PRO 25 1HG PRO 25 6.649 2.455 1.193 184 2HG PRO 25 2HG PRO 25 6.550 4.148 0.750 185 1HD PRO 25 1HD PRO 25 6.734 1.914 -1.040 186 2HD PRO 25 2HD PRO 25 6.751 3.611 -1.476 187 H GLU 26 H GLU 26 8.198 0.619 0.183 188 HA GLU 26 HA GLU 26 10.623 -0.896 0.603 189 1HB GLU 26 1HB GLU 26 8.240 -0.897 2.497 190 2HB GLU 26 2HB GLU 26 9.410 -2.200 2.459 191 1HG GLU 26 1HG GLU 26 11.232 -0.690 3.055 192 2HG GLU 26 2HG GLU 26 10.211 0.718 2.844 193 HE2 GLU 26 HE GLU 26 8.913 0.571 5.976 194 HA PRO 27 HA PRO 27 8.508 -3.677 -1.969 195 1HB PRO 27 1HB PRO 27 9.799 -6.029 -1.446 196 2HB PRO 27 2HB PRO 27 10.451 -4.792 -2.501 197 1HG PRO 27 1HG PRO 27 11.257 -5.486 0.257 198 2HG PRO 27 2HG PRO 27 12.143 -4.574 -0.949 199 1HD PRO 27 1HD PRO 27 10.742 -3.513 1.316 200 2HD PRO 27 2HD PRO 27 11.530 -2.596 0.048 201 H CYS 28 H CYS 28 6.825 -3.022 -0.049 202 HA CYS 28 HA CYS 28 5.308 -5.384 0.155 203 1HB CYS 28 1HB CYS 28 7.196 -5.078 2.217 204 2HB CYS 28 2HB CYS 28 5.664 -4.592 2.912 205 H ARG 29 H ARG 29 6.123 -2.058 1.229 206 HA ARG 29 HA ARG 29 3.264 -1.504 1.174 207 1HB ARG 29 1HB ARG 29 4.655 -1.358 3.459 208 2HB ARG 29 2HB ARG 29 5.174 0.186 2.813 209 1HG ARG 29 1HG ARG 29 3.182 1.149 3.320 210 2HG ARG 29 2HG ARG 29 2.297 -0.090 2.453 211 1HD ARG 29 1HD ARG 29 1.533 -0.789 4.482 212 2HD ARG 29 2HD ARG 29 3.136 -1.441 4.758 213 HE ARG 29 HE ARG 29 3.649 0.401 6.157 214 1HH1 ARG 29 2HH2 ARG 29 0.525 0.900 4.563 215 2HH1 ARG 29 1HH2 ARG 29 0.083 2.236 5.573 216 1HH2 ARG 29 1HH ARG 29 1.593 2.961 7.288 217 H ILE 30 H ILE 30 2.636 0.212 -0.161 218 HA ILE 30 HA ILE 30 4.838 1.724 -1.385 219 HB ILE 30 HB ILE 30 3.416 1.922 -3.359 220 1HG1 ILE 30 1HG1 ILE 30 1.536 -0.196 -2.486 221 2HG1 ILE 30 2HG1 ILE 30 1.304 1.371 -1.734 222 1HG2 ILE 30 1HG2 ILE 30 3.871 -0.199 -4.235 223 2HG2 ILE 30 2HG2 ILE 30 5.066 0.003 -2.931 224 3HG2 ILE 30 3HG2 ILE 30 3.623 -1.006 -2.668 225 1HD1 ILE 30 1HD1 ILE 30 0.227 0.724 -4.137 226 2HD1 ILE 30 2HD1 ILE 30 0.681 2.391 -3.709 227 3HD1 ILE 30 3HD1 ILE 30 1.779 1.393 -4.693 228 H CYS 31 H CYS 31 4.544 3.991 -1.716 229 HA CYS 31 HA CYS 31 2.257 5.088 -0.256 230 1HB CYS 31 1HB CYS 31 5.120 5.454 0.265 231 2HB CYS 31 2HB CYS 31 4.246 6.963 0.093 232 H VAL 32 H VAL 32 1.455 7.105 -1.149 233 HA VAL 32 HA VAL 32 2.787 8.163 -3.482 234 HB VAL 32 HB VAL 32 1.571 6.392 -4.510 235 1HG1 VAL 32 1HG1 VAL 32 -0.160 6.531 -2.394 236 2HG1 VAL 32 2HG1 VAL 32 -1.140 7.234 -3.703 237 3HG1 VAL 32 3HG1 VAL 32 -0.448 5.605 -3.886 238 1HG2 VAL 32 1HG2 VAL 32 1.532 8.632 -5.610 239 2HG2 VAL 32 2HG2 VAL 32 0.146 7.602 -6.041 240 3HG2 VAL 32 3HG2 VAL 32 -0.060 8.927 -4.871 241 H CYS 33 H CYS 33 1.858 10.259 -4.131 242 HA CYS 33 HA CYS 33 0.645 11.524 -1.813 243 1HB CYS 33 1HB CYS 33 2.717 12.476 -2.738 244 2HB CYS 33 2HB CYS 33 1.917 12.740 -4.274 245 H ASP 34 H ASP 34 -1.407 10.239 -2.473 246 HA ASP 34 HA ASP 34 -2.669 11.151 -4.858 247 1HB ASP 34 1HB ASP 34 -2.876 8.887 -3.289 248 2HB ASP 34 2HB ASP 34 -4.290 9.777 -2.760 249 HD2 ASP 34 HD ASP 34 -5.069 7.493 -4.251 250 H THR 35 H THR 35 -3.952 13.007 -4.950 251 HA THR 35 HA THR 35 -5.172 14.756 -4.322 252 HB THR 35 HB THR 35 -5.922 13.124 -1.847 253 HG1 THR 35 1HG THR 35 -6.559 11.716 -3.439 254 1HG2 THR 35 1HG2 THR 35 -7.260 15.266 -3.554 255 2HG2 THR 35 2HG2 THR 35 -8.224 14.126 -2.586 256 3HG2 THR 35 3HG2 THR 35 -7.077 15.227 -1.785 257 H GLY 36 H GLY 36 -2.324 14.473 -3.520 258 1HA GLY 36 1HA GLY 36 -0.885 15.897 -2.503 259 2HA GLY 36 2HA GLY 36 -2.237 16.777 -1.817 260 H THR 37 H THR 37 -2.867 13.569 -1.101 261 HA THR 37 HA THR 37 -1.574 13.848 1.527 262 HB THR 37 HB THR 37 -4.130 12.471 0.563 263 HG1 THR 37 1HG THR 37 -4.885 14.077 2.227 264 1HG2 THR 37 1HG2 THR 37 -2.783 12.474 3.315 265 2HG2 THR 37 2HG2 THR 37 -4.484 12.027 3.038 266 3HG2 THR 37 3HG2 THR 37 -3.179 11.043 2.333 267 H VAL 38 H VAL 38 -0.233 12.298 2.338 268 HA VAL 38 HA VAL 38 0.775 10.431 0.397 269 HB VAL 38 HB VAL 38 1.519 11.115 3.244 270 1HG1 VAL 38 1HG1 VAL 38 3.639 9.815 2.702 271 2HG1 VAL 38 2HG1 VAL 38 2.173 8.846 2.986 272 3HG1 VAL 38 3HG1 VAL 38 2.749 9.121 1.324 273 1HG2 VAL 38 1HG2 VAL 38 1.901 12.744 1.253 274 2HG2 VAL 38 2HG2 VAL 38 3.246 12.416 2.371 275 3HG2 VAL 38 3HG2 VAL 38 3.190 11.610 0.785 276 H LEU 39 H LEU 39 -0.860 8.900 0.010 277 HA LEU 39 HA LEU 39 -1.798 7.440 2.368 278 1HB LEU 39 1HB LEU 39 -3.255 8.525 0.424 279 2HB LEU 39 2HB LEU 39 -2.912 6.995 -0.358 280 HG LEU 39 HG LEU 39 -3.754 5.956 1.904 281 1HD1 LEU 39 1HD1 LEU 39 -3.881 8.133 3.080 282 2HD1 LEU 39 2HD1 LEU 39 -5.176 8.631 1.966 283 3HD1 LEU 39 3HD1 LEU 39 -5.427 7.252 3.063 284 1HD2 LEU 39 1HD2 LEU 39 -6.117 6.053 1.005 285 2HD2 LEU 39 2HD2 LEU 39 -5.499 7.141 -0.262 286 3HD2 LEU 39 3HD2 LEU 39 -4.870 5.481 -0.129 287 H CYS 40 H CYS 40 -0.938 5.493 2.852 288 HA CYS 40 HA CYS 40 0.776 4.300 0.820 289 1HB CYS 40 1HB CYS 40 1.018 4.681 3.627 290 2HB CYS 40 2HB CYS 40 0.925 2.954 3.344 291 H ASP 41 H ASP 41 0.175 2.375 -0.165 292 HA ASP 41 HA ASP 41 -2.308 1.222 0.802 293 1HB ASP 41 1HB ASP 41 -2.465 1.829 -1.514 294 2HB ASP 41 2HB ASP 41 -0.866 1.207 -1.872 295 HD2 ASP 41 HD ASP 41 -3.869 -0.600 -0.634 296 H ASP 42 H ASP 42 -2.410 -1.298 0.476 297 HA ASP 42 HA ASP 42 0.049 -2.360 1.542 298 1HB ASP 42 1HB ASP 42 -2.006 -2.924 2.736 299 2HB ASP 42 2HB ASP 42 -2.777 -3.471 1.261 300 HD2 ASP 42 HD ASP 42 -3.070 -5.523 1.648 301 H ILE 43 H ILE 43 1.275 -3.970 0.424 302 HA ILE 43 HA ILE 43 0.594 -4.284 -2.377 303 HB ILE 43 HB ILE 43 3.048 -5.081 -0.806 304 1HG1 ILE 43 1HG1 ILE 43 2.572 -2.696 -2.620 305 2HG1 ILE 43 2HG1 ILE 43 2.659 -2.640 -0.870 306 1HG2 ILE 43 1HG2 ILE 43 4.121 -5.462 -2.927 307 2HG2 ILE 43 2HG2 ILE 43 2.646 -6.455 -2.836 308 3HG2 ILE 43 3HG2 ILE 43 2.657 -4.964 -3.807 309 1HD1 ILE 43 1HD1 ILE 43 4.884 -2.250 -1.201 310 2HD1 ILE 43 2HD1 ILE 43 4.989 -4.005 -1.480 311 3HD1 ILE 43 3HD1 ILE 43 4.841 -2.890 -2.861 312 H ILE 44 H ILE 44 -1.042 -5.768 -2.621 313 HA ILE 44 HA ILE 44 -0.661 -8.331 -1.246 314 HB ILE 44 HB ILE 44 -3.122 -8.606 -1.962 315 1HG1 ILE 44 1HG1 ILE 44 -3.032 -5.582 -2.004 316 2HG1 ILE 44 2HG1 ILE 44 -3.003 -6.550 -3.466 317 1HG2 ILE 44 1HG2 ILE 44 -3.642 -6.857 0.059 318 2HG2 ILE 44 2HG2 ILE 44 -3.040 -8.517 0.279 319 3HG2 ILE 44 3HG2 ILE 44 -1.901 -7.149 0.292 320 1HD1 ILE 44 1HD1 ILE 44 -5.221 -6.224 -1.445 321 2HD1 ILE 44 2HD1 ILE 44 -5.298 -6.191 -3.223 322 3HD1 ILE 44 3HD1 ILE 44 -5.117 -7.742 -2.369 323 H CYS 45 H CYS 45 0.405 -9.783 -2.481 324 HA CYS 45 HA CYS 45 0.047 -9.596 -5.363 325 1HB CYS 45 1HB CYS 45 2.070 -10.671 -5.628 326 2HB CYS 45 2HB CYS 45 2.339 -9.660 -4.221 327 H GLU 46 H GLU 46 0.018 -11.910 -6.466 328 HA GLU 46 HA GLU 46 -2.302 -13.154 -5.651 329 1HB GLU 46 1HB GLU 46 -0.946 -13.158 -7.938 330 2HB GLU 46 2HB GLU 46 -0.236 -14.624 -7.293 331 1HG GLU 46 1HG GLU 46 -2.086 -15.798 -7.866 332 2HG GLU 46 2HG GLU 46 -3.071 -14.783 -6.831 333 HE2 GLU 46 HE GLU 46 -1.949 -15.087 -10.120 334 H ASP 47 H ASP 47 -2.457 -15.628 -5.171 335 HA ASP 47 HA ASP 47 -0.233 -16.526 -3.567 336 1HB ASP 47 1HB ASP 47 -1.722 -15.336 -1.978 337 2HB ASP 47 2HB ASP 47 -3.098 -16.266 -2.540 338 HD2 ASP 47 HD ASP 47 -2.854 -18.834 -0.866 339 H VAL 48 H VAL 48 -0.691 -18.930 -2.868 340 HA VAL 48 HA VAL 48 -2.734 -20.254 -4.419 341 HB VAL 48 HB VAL 48 -0.648 -19.886 -5.871 342 1HG1 VAL 48 1HG1 VAL 48 1.333 -20.727 -5.266 343 2HG1 VAL 48 2HG1 VAL 48 0.627 -21.042 -3.662 344 3HG1 VAL 48 3HG1 VAL 48 0.620 -22.318 -4.903 345 1HG2 VAL 48 1HG2 VAL 48 -2.600 -21.684 -6.006 346 2HG2 VAL 48 2HG2 VAL 48 -1.201 -21.740 -7.105 347 3HG2 VAL 48 3HG2 VAL 48 -1.261 -22.810 -5.683 348 H LYS 49 H LYS 49 -2.301 -22.823 -4.017 349 HA LYS 49 HA LYS 49 -2.779 -23.254 -1.366 350 1HB LYS 49 1HB LYS 49 -3.246 -24.820 -3.239 351 2HB LYS 49 2HB LYS 49 -1.538 -25.199 -3.335 352 1HG LYS 49 1HG LYS 49 -1.710 -26.671 -1.618 353 2HG LYS 49 2HG LYS 49 -2.385 -25.439 -0.571 354 1HD LYS 49 1HD LYS 49 -4.327 -26.375 -2.589 355 2HD LYS 49 2HD LYS 49 -3.743 -27.680 -1.575 356 1HE LYS 49 1HE LYS 49 -5.490 -26.917 -0.241 357 2HE LYS 49 2HE LYS 49 -4.192 -25.931 0.400 358 1HZ LYS 49 1HZ LYS 49 -6.165 -24.604 -0.179 359 2HZ LYS 49 2HZ LYS 49 -4.886 -24.128 -1.068 360 H ASP 50 H ASP 50 0.349 -23.085 -3.102 361 HA ASP 50 HA ASP 50 1.772 -22.214 -1.004 362 1HB ASP 50 1HB ASP 50 1.208 -25.064 -0.738 363 2HB ASP 50 2HB ASP 50 2.933 -24.826 -0.936 364 HD2 ASP 50 HD ASP 50 1.717 -24.703 2.549 365 H CYS 51 H CYS 51 1.550 -24.439 -3.796 366 HA CYS 51 HA CYS 51 2.749 -24.673 -5.618 367 1HB CYS 51 1HB CYS 51 2.668 -22.169 -5.629 368 2HB CYS 51 2HB CYS 51 4.236 -22.155 -4.845 369 H LEU 52 H LEU 52 5.114 -25.140 -6.386 370 HA LEU 52 HA LEU 52 6.305 -26.912 -4.682 371 1HB LEU 52 1HB LEU 52 7.072 -25.489 -7.163 372 2HB LEU 52 2HB LEU 52 8.384 -26.199 -6.243 373 HG LEU 52 HG LEU 52 5.951 -27.818 -6.991 374 1HD1 LEU 52 1HD1 LEU 52 6.896 -28.478 -9.045 375 2HD1 LEU 52 2HD1 LEU 52 7.009 -26.702 -9.016 376 3HD1 LEU 52 3HD1 LEU 52 8.450 -27.691 -8.681 377 1HD2 LEU 52 1HD2 LEU 52 8.795 -28.747 -6.582 378 2HD2 LEU 52 2HD2 LEU 52 7.633 -28.589 -5.243 379 3HD2 LEU 52 3HD2 LEU 52 7.298 -29.708 -6.586 380 H SER 53 H SER 53 8.499 -24.305 -5.648 381 HA SER 53 HA SER 53 9.054 -23.937 -2.817 382 1HB SER 53 1HB SER 53 11.059 -24.615 -3.819 383 2HB SER 53 2HB SER 53 10.717 -23.787 -5.325 384 HG SER 53 HG SER 53 11.380 -21.847 -4.481 385 HA PRO 54 HA PRO 54 7.524 -19.871 -3.249 386 1HB PRO 54 1HB PRO 54 8.317 -18.843 -0.844 387 2HB PRO 54 2HB PRO 54 6.868 -19.809 -1.042 388 1HG PRO 54 1HG PRO 54 9.463 -20.582 0.144 389 2HG PRO 54 2HG PRO 54 7.903 -21.361 0.313 390 1HD PRO 54 1HD PRO 54 10.086 -22.231 -1.331 391 2HD PRO 54 2HD PRO 54 8.486 -22.944 -1.249 392 H GLU 55 H GLU 55 8.076 -17.957 -4.168 393 HA GLU 55 HA GLU 55 10.699 -16.990 -3.652 394 1HB GLU 55 1HB GLU 55 10.203 -18.656 -6.009 395 2HB GLU 55 2HB GLU 55 10.731 -17.051 -6.477 396 1HG GLU 55 1HG GLU 55 12.485 -17.545 -4.426 397 2HG GLU 55 2HG GLU 55 12.214 -19.182 -4.989 398 HE2 GLU 55 HE GLU 55 13.836 -19.549 -6.979 399 H ILE 56 H ILE 56 10.473 -14.799 -3.545 400 HA ILE 56 HA ILE 56 8.074 -13.604 -4.523 401 HB ILE 56 HB ILE 56 9.668 -13.113 -2.436 402 1HG1 ILE 56 1HG1 ILE 56 8.175 -10.836 -3.738 403 2HG1 ILE 56 2HG1 ILE 56 7.331 -12.236 -3.106 404 1HG2 ILE 56 1HG2 ILE 56 11.543 -12.350 -3.837 405 2HG2 ILE 56 2HG2 ILE 56 10.517 -11.045 -4.481 406 3HG2 ILE 56 3HG2 ILE 56 10.943 -11.072 -2.754 407 1HD1 ILE 56 1HD1 ILE 56 8.098 -10.004 -1.626 408 2HD1 ILE 56 2HD1 ILE 56 7.632 -11.581 -0.947 409 3HD1 ILE 56 3HD1 ILE 56 9.350 -11.202 -1.218 410 HA PRO 57 HA PRO 57 9.712 -12.671 -8.442 411 1HB PRO 57 1HB PRO 57 7.518 -11.404 -9.467 412 2HB PRO 57 2HB PRO 57 7.710 -13.145 -9.476 413 1HG PRO 57 1HG PRO 57 5.987 -11.480 -7.744 414 2HG PRO 57 2HG PRO 57 5.886 -13.200 -8.064 415 1HD PRO 57 1HD PRO 57 6.924 -11.953 -5.699 416 2HD PRO 57 2HD PRO 57 6.928 -13.666 -6.069 417 H PHE 58 H PHE 58 11.306 -11.264 -8.752 418 HA PHE 58 HA PHE 58 12.425 -9.360 -8.374 419 1HB PHE 58 1HB PHE 58 11.016 -9.170 -10.534 420 2HB PHE 58 2HB PHE 58 9.814 -8.294 -9.607 421 HD1 PHE 58 1HD PHE 58 13.450 -8.159 -10.439 422 HD2 PHE 58 2HD PHE 58 9.915 -5.985 -9.551 423 HE1 PHE 58 1HE PHE 58 14.655 -6.007 -10.904 424 HE2 PHE 58 2HE PHE 58 11.120 -3.833 -10.017 425 HZ PHE 58 HZ PHE 58 13.477 -3.870 -10.688 426 H GLY 59 H GLY 59 11.179 -10.010 -5.954 427 1HA GLY 59 1HA GLY 59 10.561 -9.117 -3.988 428 2HA GLY 59 2HA GLY 59 11.214 -7.601 -4.576 429 H GLU 60 H GLU 60 8.471 -8.971 -3.320 430 HA GLU 60 HA GLU 60 6.851 -6.913 -4.567 431 1HB GLU 60 1HB GLU 60 5.957 -9.803 -4.166 432 2HB GLU 60 2HB GLU 60 4.915 -8.494 -4.689 433 1HG GLU 60 1HG GLU 60 7.374 -8.656 -6.309 434 2HG GLU 60 2HG GLU 60 6.464 -10.152 -6.350 435 HE2 GLU 60 HE GLU 60 4.545 -9.474 -8.471 436 H CYS 61 H CYS 61 6.164 -9.616 -2.243 437 HA CYS 61 HA CYS 61 6.441 -8.097 0.057 438 1HB CYS 61 1HB CYS 61 4.517 -6.839 -0.965 439 2HB CYS 61 2HB CYS 61 3.549 -8.290 -0.799 440 H CYS 62 H CYS 62 4.677 -10.625 -1.789 441 HA CYS 62 HA CYS 62 4.737 -12.311 0.597 442 1HB CYS 62 1HB CYS 62 3.291 -13.517 -1.552 443 2HB CYS 62 2HB CYS 62 2.728 -13.031 0.035 444 HA PRO 63 HA PRO 63 8.078 -14.098 -1.727 445 1HB PRO 63 1HB PRO 63 9.297 -15.345 0.377 446 2HB PRO 63 2HB PRO 63 9.648 -13.694 -0.091 447 1HG PRO 63 1HG PRO 63 8.061 -14.672 2.203 448 2HG PRO 63 2HG PRO 63 8.772 -13.090 1.955 449 1HD PRO 63 1HD PRO 63 6.008 -13.795 1.655 450 2HD PRO 63 2HD PRO 63 6.739 -12.243 1.295 451 H ILE 64 H ILE 64 6.051 -15.211 -2.632 452 HA ILE 64 HA ILE 64 6.469 -18.035 -2.005 453 HB ILE 64 HB ILE 64 4.208 -18.513 -1.762 454 1HG1 ILE 64 1HG1 ILE 64 3.713 -15.806 -2.984 455 2HG1 ILE 64 2HG1 ILE 64 3.140 -17.377 -3.508 456 1HG2 ILE 64 1HG2 ILE 64 3.486 -17.198 0.128 457 2HG2 ILE 64 2HG2 ILE 64 5.249 -17.428 0.208 458 3HG2 ILE 64 3HG2 ILE 64 4.578 -15.869 -0.329 459 1HD1 ILE 64 1HD1 ILE 64 2.294 -15.985 -0.925 460 2HD1 ILE 64 2HD1 ILE 64 1.333 -16.055 -2.421 461 3HD1 ILE 64 3HD1 ILE 64 1.680 -17.548 -1.517 462 H CYS 65 H CYS 65 5.163 -19.373 -3.796 463 HA CYS 65 HA CYS 65 6.026 -18.177 -6.305 464 1HB CYS 65 1HB CYS 65 7.017 -20.219 -6.254 465 2HB CYS 65 2HB CYS 65 5.759 -20.945 -5.272 466 HA PRO 66 HA PRO 66 1.724 -17.547 -7.020 467 1HB PRO 66 1HB PRO 66 1.962 -16.111 -9.333 468 2HB PRO 66 2HB PRO 66 2.054 -15.386 -7.741 469 1HG PRO 66 1HG PRO 66 4.241 -15.953 -9.647 470 2HG PRO 66 2HG PRO 66 4.238 -14.870 -8.270 471 1HD PRO 66 1HD PRO 66 5.449 -17.466 -8.408 472 2HD PRO 66 2HD PRO 66 5.346 -16.432 -6.998 473 H ALA 67 H ALA 67 0.131 -17.762 -8.970 474 HA ALA 67 HA ALA 67 0.423 -20.454 -9.776 475 1HB ALA 67 1HB ALA 67 -1.651 -18.701 -9.468 476 2HB ALA 67 2HB ALA 67 -1.476 -18.701 -11.239 477 3HB ALA 67 3HB ALA 67 -1.764 -20.229 -10.373 478 H ASP 68 H ASP 68 -0.671 -19.960 -12.550 479 HA ASP 68 HA ASP 68 1.726 -18.903 -13.799 480 1HB ASP 68 1HB ASP 68 0.355 -21.523 -14.567 481 2HB ASP 68 2HB ASP 68 1.710 -20.807 -15.415 482 HD2 ASP 68 HD ASP 68 3.719 -22.765 -13.953 483 H LEU 69 H LEU 69 -0.130 -17.147 -13.898 484 HA LEU 69 HA LEU 69 -1.748 -16.081 -14.974 485 1HB LEU 69 1HB LEU 69 -0.669 -17.569 -17.370 486 2HB LEU 69 2HB LEU 69 -1.612 -16.092 -17.401 487 HG LEU 69 HG LEU 69 0.962 -16.097 -15.870 488 1HD1 LEU 69 1HD1 LEU 69 2.354 -16.233 -17.622 489 2HD1 LEU 69 2HD1 LEU 69 1.009 -17.089 -18.413 490 3HD1 LEU 69 3HD1 LEU 69 1.249 -15.349 -18.703 491 1HD2 LEU 69 1HD2 LEU 69 0.950 -13.757 -17.066 492 2HD2 LEU 69 2HD2 LEU 69 -0.784 -14.104 -17.264 493 3HD2 LEU 69 3HD2 LEU 69 -0.065 -14.059 -15.636 494 H ALA 70 H ALA 70 -3.078 -17.734 -13.557 495 HA ALA 70 HA ALA 70 -4.877 -19.004 -13.350 496 1HB ALA 70 1HB ALA 70 -6.203 -18.833 -15.830 497 2HB ALA 70 2HB ALA 70 -6.449 -17.790 -14.408 498 3HB ALA 70 3HB ALA 70 -5.300 -17.306 -15.678 499 H ALA 71 H ALA 71 -6.193 -20.927 -14.469 500 HA ALA 71 HA ALA 71 -4.152 -22.795 -15.291 501 1HB ALA 71 1HB ALA 71 -5.477 -24.058 -13.979 502 2HB ALA 71 2HB ALA 71 -6.777 -22.842 -14.011 503 3HB ALA 71 3HB ALA 71 -6.659 -24.053 -15.310 504 H ALA 72 H ALA 72 -4.422 -24.192 -17.212 505 HA ALA 72 HA ALA 72 -4.915 -24.596 -19.342 506 1HB ALA 72 1HB ALA 72 -6.927 -22.454 -19.719 507 2HB ALA 72 2HB ALA 72 -7.036 -24.199 -20.054 508 3HB ALA 72 3HB ALA 72 -7.291 -23.593 -18.400 509 H ALA 73 H ALA 73 -5.334 -21.022 -18.784 510 HA ALA 73 HA ALA 73 -2.905 -20.544 -20.269 511 1HB ALA 73 1HB ALA 73 -3.828 -19.456 -22.101 512 2HB ALA 73 2HB ALA 73 -5.017 -20.759 -21.856 513 3HB ALA 73 3HB ALA 73 -5.361 -19.116 -21.263 Start of MODEL 3 1 1H TYR 1 H TYR 1 -15.792 14.319 3.302 2 HA TYR 1 HA TYR 1 -13.247 14.374 4.280 3 1HB TYR 1 1HB TYR 1 -13.969 11.941 2.756 4 2HB TYR 1 2HB TYR 1 -12.686 12.805 1.933 5 HD1 TYR 1 1HD TYR 1 -13.068 10.108 3.858 6 HD2 TYR 1 2HD TYR 1 -10.996 13.846 4.040 7 HE1 TYR 1 1HE TYR 1 -11.360 9.091 5.441 8 HE2 TYR 1 2HE TYR 1 -9.294 12.817 5.623 9 HH TYR 1 HH TYR 1 -8.426 10.583 6.125 10 H VAL 2 H VAL 2 -11.911 15.788 3.067 11 HA VAL 2 HA VAL 2 -12.351 16.360 0.363 12 HB VAL 2 HB VAL 2 -14.469 17.269 1.321 13 1HG1 VAL 2 1HG1 VAL 2 -13.548 18.037 3.484 14 2HG1 VAL 2 2HG1 VAL 2 -12.641 19.310 2.632 15 3HG1 VAL 2 3HG1 VAL 2 -14.421 19.329 2.625 16 1HG2 VAL 2 1HG2 VAL 2 -12.539 19.212 0.012 17 2HG2 VAL 2 2HG2 VAL 2 -13.683 18.112 -0.794 18 3HG2 VAL 2 3HG2 VAL 2 -14.292 19.483 0.162 19 H GLU 3 H GLU 3 -10.550 17.412 -0.413 20 HA GLU 3 HA GLU 3 -8.954 18.831 1.552 21 1HB GLU 3 1HB GLU 3 -8.248 16.315 0.200 22 2HB GLU 3 2HB GLU 3 -7.058 17.569 -0.090 23 1HG GLU 3 1HG GLU 3 -6.200 17.008 1.944 24 2HG GLU 3 2HG GLU 3 -7.554 17.889 2.625 25 HE2 GLU 3 HE GLU 3 -7.113 14.212 3.431 26 H PHE 4 H PHE 4 -9.385 20.867 0.665 27 HA PHE 4 HA PHE 4 -8.656 21.166 -2.164 28 1HB PHE 4 1HB PHE 4 -10.999 21.818 -0.664 29 2HB PHE 4 2HB PHE 4 -10.164 23.350 -0.835 30 HD1 PHE 4 1HD PHE 4 -9.574 24.147 -3.170 31 HD2 PHE 4 2HD PHE 4 -12.213 20.901 -2.460 32 HE1 PHE 4 1HE PHE 4 -10.502 24.393 -5.490 33 HE2 PHE 4 2HE PHE 4 -13.141 21.147 -4.780 34 HZ PHE 4 HZ PHE 4 -12.274 22.891 -6.266 35 H GLN 5 H GLN 5 -7.759 23.391 -2.718 36 HA GLN 5 HA GLN 5 -6.301 24.981 -2.461 37 1HB GLN 5 1HB GLN 5 -6.953 24.797 0.513 38 2HB GLN 5 2HB GLN 5 -5.994 26.073 -0.209 39 1HG GLN 5 1HG GLN 5 -8.423 25.809 -1.751 40 2HG GLN 5 2HG GLN 5 -8.865 25.871 -0.055 41 1HE2 GLN 5 1HE2 GLN 5 -9.438 27.844 -1.982 42 2HE2 GLN 5 2HE2 GLN 5 -8.638 29.318 -1.549 43 H GLU 6 H GLU 6 -5.819 21.896 -1.740 44 HA GLU 6 HA GLU 6 -3.515 21.933 -0.152 45 1HB GLU 6 1HB GLU 6 -5.140 19.969 -0.759 46 2HB GLU 6 2HB GLU 6 -4.150 19.780 -2.193 47 1HG GLU 6 1HG GLU 6 -2.471 18.791 -1.018 48 2HG GLU 6 2HG GLU 6 -2.468 20.062 0.189 49 HE2 GLU 6 HE GLU 6 -2.349 18.297 1.847 50 H ALA 7 H ALA 7 -1.308 21.103 -0.997 51 HA ALA 7 HA ALA 7 -0.722 22.556 -3.479 52 1HB ALA 7 1HB ALA 7 0.349 23.359 -1.364 53 2HB ALA 7 2HB ALA 7 1.131 21.768 -1.195 54 3HB ALA 7 3HB ALA 7 1.528 22.813 -2.580 55 H GLY 8 H GLY 8 -0.027 21.432 -5.242 56 1HA GLY 8 1HA GLY 8 -0.074 18.593 -5.206 57 2HA GLY 8 2HA GLY 8 0.395 19.635 -6.535 58 H SER 9 H SER 9 1.639 18.715 -3.237 59 HA SER 9 HA SER 9 4.021 17.726 -4.370 60 1HB SER 9 1HB SER 9 3.963 20.522 -3.331 61 2HB SER 9 2HB SER 9 5.289 19.540 -2.742 62 HG SER 9 HG SER 9 5.197 19.017 -5.346 63 H CYS 10 H CYS 10 4.639 16.074 -3.015 64 HA CYS 10 HA CYS 10 3.686 16.253 -0.253 65 1HB CYS 10 1HB CYS 10 3.923 13.990 -2.182 66 2HB CYS 10 2HB CYS 10 4.196 13.650 -0.485 67 H VAL 11 H VAL 11 5.204 15.872 1.435 68 HA VAL 11 HA VAL 11 7.984 15.988 0.552 69 HB VAL 11 HB VAL 11 6.639 16.562 3.198 70 1HG1 VAL 11 1HG1 VAL 11 9.091 15.634 3.168 71 2HG1 VAL 11 2HG1 VAL 11 9.499 17.268 2.591 72 3HG1 VAL 11 3HG1 VAL 11 8.688 17.055 4.161 73 1HG2 VAL 11 1HG2 VAL 11 7.963 18.445 1.217 74 2HG2 VAL 11 2HG2 VAL 11 6.207 18.211 1.391 75 3HG2 VAL 11 3HG2 VAL 11 7.152 18.891 2.737 76 H GLN 12 H GLN 12 9.002 14.063 0.350 77 HA GLN 12 HA GLN 12 8.368 12.079 2.392 78 1HB GLN 12 1HB GLN 12 7.748 11.800 -0.275 79 2HB GLN 12 2HB GLN 12 9.338 11.064 -0.235 80 1HG GLN 12 1HG GLN 12 6.924 10.295 1.464 81 2HG GLN 12 2HG GLN 12 7.670 9.334 0.204 82 1HE2 GLN 12 1HE2 GLN 12 7.216 9.006 3.171 83 2HE2 GLN 12 2HE2 GLN 12 8.746 8.529 3.826 84 H ASP 13 H ASP 13 10.128 12.234 3.756 85 HA ASP 13 HA ASP 13 12.169 12.042 4.458 86 1HB ASP 13 1HB ASP 13 12.255 10.602 1.882 87 2HB ASP 13 2HB ASP 13 13.819 11.262 2.318 88 HD2 ASP 13 HD ASP 13 12.978 8.170 2.638 89 H GLY 14 H GLY 14 11.093 14.335 2.521 90 1HA GLY 14 1HA GLY 14 12.029 16.477 2.421 91 2HA GLY 14 2HA GLY 14 13.641 15.789 2.434 92 H GLN 15 H GLN 15 11.015 14.472 0.397 93 HA GLN 15 HA GLN 15 12.325 15.700 -1.897 94 1HB GLN 15 1HB GLN 15 11.667 12.798 -1.402 95 2HB GLN 15 2HB GLN 15 11.582 13.407 -3.043 96 1HG GLN 15 1HG GLN 15 14.021 14.376 -1.784 97 2HG GLN 15 2HG GLN 15 13.917 12.638 -1.581 98 1HE2 GLN 15 1HE2 GLN 15 15.742 12.520 -2.974 99 2HE2 GLN 15 2HE2 GLN 15 15.568 12.583 -4.697 100 H ARG 16 H ARG 16 10.929 16.746 -3.273 101 HA ARG 16 HA ARG 16 8.172 16.665 -2.569 102 1HB ARG 16 1HB ARG 16 7.934 18.528 -4.137 103 2HB ARG 16 2HB ARG 16 9.390 18.789 -3.198 104 1HG ARG 16 1HG ARG 16 10.669 17.614 -5.123 105 2HG ARG 16 2HG ARG 16 9.192 17.755 -6.057 106 1HD ARG 16 1HD ARG 16 9.271 20.301 -5.403 107 2HD ARG 16 2HD ARG 16 10.938 19.991 -4.963 108 HE ARG 16 HE ARG 16 10.345 18.939 -7.603 109 1HH1 ARG 16 2HH2 ARG 16 11.093 21.939 -5.873 110 2HH1 ARG 16 1HH2 ARG 16 11.753 22.726 -7.268 111 1HH2 ARG 16 1HH ARG 16 11.814 21.552 -9.358 112 H TYR 17 H TYR 17 6.651 15.348 -3.533 113 HA TYR 17 HA TYR 17 7.268 14.350 -6.230 114 1HB TYR 17 1HB TYR 17 6.229 13.017 -3.665 115 2HB TYR 17 2HB TYR 17 5.945 12.276 -5.227 116 HD1 TYR 17 1HD TYR 17 8.017 11.732 -6.686 117 HD2 TYR 17 2HD TYR 17 8.239 12.626 -2.507 118 HE1 TYR 17 1HE TYR 17 10.294 10.610 -6.559 119 HE2 TYR 17 2HE TYR 17 10.516 11.501 -2.395 120 HH TYR 17 HH TYR 17 12.194 10.718 -3.591 121 H ASN 18 H ASN 18 5.522 14.199 -7.665 122 HA ASN 18 HA ASN 18 3.459 15.958 -7.256 123 1HB ASN 18 1HB ASN 18 4.193 13.877 -9.251 124 2HB ASN 18 2HB ASN 18 2.466 14.148 -9.150 125 1HD2 ASN 18 1HD2 ASN 18 3.290 14.784 -11.448 126 2HD2 ASN 18 2HD2 ASN 18 3.551 16.476 -11.708 127 H ASP 19 H ASP 19 1.004 14.882 -7.819 128 HA ASP 19 HA ASP 19 0.405 13.505 -5.418 129 1HB ASP 19 1HB ASP 19 -1.539 13.847 -7.717 130 2HB ASP 19 2HB ASP 19 -1.874 13.871 -5.997 131 HD2 ASP 19 HD ASP 19 -0.754 15.713 -4.920 132 H LYS 20 H LYS 20 -0.386 12.847 -8.925 133 HA LYS 20 HA LYS 20 -1.061 10.182 -8.555 134 1HB LYS 20 1HB LYS 20 -1.106 11.999 -10.628 135 2HB LYS 20 2HB LYS 20 0.105 10.857 -11.172 136 1HG LYS 20 1HG LYS 20 -1.444 8.975 -10.887 137 2HG LYS 20 2HG LYS 20 -2.634 10.010 -10.123 138 1HD LYS 20 1HD LYS 20 -1.781 11.016 -12.773 139 2HD LYS 20 2HD LYS 20 -2.493 9.417 -12.855 140 1HE LYS 20 1HE LYS 20 -4.108 10.992 -11.057 141 2HE LYS 20 2HE LYS 20 -3.826 11.957 -12.493 142 1HZ LYS 20 1HZ LYS 20 -4.879 9.177 -12.503 143 2HZ LYS 20 2HZ LYS 20 -5.763 10.518 -12.774 144 H ASP 21 H ASP 21 2.017 11.766 -8.421 145 HA ASP 21 HA ASP 21 3.673 9.842 -9.423 146 1HB ASP 21 1HB ASP 21 3.850 12.103 -7.534 147 2HB ASP 21 2HB ASP 21 4.996 10.836 -7.145 148 HD2 ASP 21 HD ASP 21 7.228 11.617 -9.034 149 H VAL 22 H VAL 22 4.204 7.761 -8.704 150 HA VAL 22 HA VAL 22 3.355 7.071 -5.975 151 HB VAL 22 HB VAL 22 3.538 5.340 -8.451 152 1HG1 VAL 22 1HG1 VAL 22 3.894 4.457 -5.923 153 2HG1 VAL 22 2HG1 VAL 22 2.118 4.398 -6.016 154 3HG1 VAL 22 3HG1 VAL 22 3.101 3.499 -7.196 155 1HG2 VAL 22 1HG2 VAL 22 1.621 6.592 -8.814 156 2HG2 VAL 22 2HG2 VAL 22 0.975 5.195 -7.920 157 3HG2 VAL 22 3HG2 VAL 22 1.256 6.738 -7.078 158 H TRP 23 H TRP 23 4.864 6.202 -4.589 159 HA TRP 23 HA TRP 23 7.464 5.511 -5.758 160 1HB TRP 23 1HB TRP 23 8.654 6.728 -4.115 161 2HB TRP 23 2HB TRP 23 7.524 7.828 -4.879 162 HD1 TRP 23 HD TRP 23 8.150 6.093 -1.497 163 HE1 TRP 23 1HE TRP 23 6.750 7.224 0.433 164 HE3 TRP 23 3HE TRP 23 5.422 9.123 -4.537 165 HZ2 TRP 23 2HZ TRP 23 4.706 9.215 0.471 166 HZ3 TRP 23 3HZ TRP 23 3.746 10.630 -3.472 167 HH2 TRP 23 HH TRP 23 3.366 10.706 -1.060 168 H LYS 24 H LYS 24 8.444 3.714 -4.752 169 HA LYS 24 HA LYS 24 6.771 2.439 -2.704 170 1HB LYS 24 1HB LYS 24 6.829 1.218 -4.821 171 2HB LYS 24 2HB LYS 24 8.580 1.199 -4.799 172 1HG LYS 24 1HG LYS 24 7.203 0.135 -2.351 173 2HG LYS 24 2HG LYS 24 7.060 -0.831 -3.806 174 1HD LYS 24 1HD LYS 24 9.816 0.138 -3.389 175 2HD LYS 24 2HD LYS 24 9.241 -0.812 -2.033 176 1HE LYS 24 1HE LYS 24 8.663 -2.689 -3.517 177 2HE LYS 24 2HE LYS 24 9.042 -1.735 -4.938 178 1HZ LYS 24 1HZ LYS 24 11.335 -1.560 -3.527 179 2HZ LYS 24 2HZ LYS 24 10.858 -3.064 -3.123 180 HA PRO 25 HA PRO 25 10.394 3.409 -0.364 181 1HB PRO 25 1HB PRO 25 9.173 3.449 2.080 182 2HB PRO 25 2HB PRO 25 9.309 4.862 1.053 183 1HG PRO 25 1HG PRO 25 6.939 3.175 1.581 184 2HG PRO 25 2HG PRO 25 7.007 4.797 0.921 185 1HD PRO 25 1HD PRO 25 6.560 2.368 -0.538 186 2HD PRO 25 2HD PRO 25 6.743 3.976 -1.210 187 H GLU 26 H GLU 26 8.053 0.905 0.310 188 HA GLU 26 HA GLU 26 10.330 -0.785 0.931 189 1HB GLU 26 1HB GLU 26 7.836 -0.404 2.618 190 2HB GLU 26 2HB GLU 26 8.760 -1.890 2.702 191 1HG GLU 26 1HG GLU 26 10.832 -0.521 3.209 192 2HG GLU 26 2HG GLU 26 9.834 0.919 3.237 193 HE2 GLU 26 HE GLU 26 10.494 -1.481 6.056 194 HA PRO 27 HA PRO 27 8.231 -3.495 -1.733 195 1HB PRO 27 1HB PRO 27 9.433 -5.872 -1.122 196 2HB PRO 27 2HB PRO 27 10.159 -4.674 -2.174 197 1HG PRO 27 1HG PRO 27 10.842 -5.341 0.624 198 2HG PRO 27 2HG PRO 27 11.798 -4.477 -0.563 199 1HD PRO 27 1HD PRO 27 10.347 -3.335 1.630 200 2HD PRO 27 2HD PRO 27 11.207 -2.464 0.377 201 H CYS 28 H CYS 28 7.645 -3.353 1.456 202 HA CYS 28 HA CYS 28 5.663 -5.500 1.234 203 1HB CYS 28 1HB CYS 28 7.331 -4.534 3.512 204 2HB CYS 28 2HB CYS 28 5.715 -5.113 3.863 205 H ARG 29 H ARG 29 6.360 -2.086 1.601 206 HA ARG 29 HA ARG 29 3.507 -1.637 1.874 207 1HB ARG 29 1HB ARG 29 4.877 -1.220 4.055 208 2HB ARG 29 2HB ARG 29 5.573 0.156 3.223 209 1HG ARG 29 1HG ARG 29 3.769 1.238 4.181 210 2HG ARG 29 2HG ARG 29 2.979 0.698 2.712 211 1HD ARG 29 1HD ARG 29 1.481 -0.005 4.405 212 2HD ARG 29 2HD ARG 29 2.377 -1.468 4.050 213 HE ARG 29 HE ARG 29 3.882 -0.324 6.059 214 1HH1 ARG 29 2HH2 ARG 29 0.436 -1.099 5.778 215 2HH1 ARG 29 1HH2 ARG 29 0.227 -1.355 7.477 216 1HH2 ARG 29 1HH ARG 29 2.105 -1.092 8.943 217 H ILE 30 H ILE 30 2.709 -0.062 0.446 218 HA ILE 30 HA ILE 30 4.754 1.347 -1.123 219 HB ILE 30 HB ILE 30 3.339 -0.474 -2.218 220 1HG1 ILE 30 1HG1 ILE 30 4.662 1.537 -3.261 221 2HG1 ILE 30 2HG1 ILE 30 3.613 0.544 -4.253 222 1HG2 ILE 30 1HG2 ILE 30 1.182 0.028 -1.286 223 2HG2 ILE 30 2HG2 ILE 30 1.235 1.686 -1.929 224 3HG2 ILE 30 3HG2 ILE 30 1.121 0.303 -3.043 225 1HD1 ILE 30 1HD1 ILE 30 3.178 2.912 -4.724 226 2HD1 ILE 30 2HD1 ILE 30 1.755 2.206 -3.920 227 3HD1 ILE 30 3HD1 ILE 30 2.883 3.230 -2.999 228 H CYS 31 H CYS 31 4.542 3.568 -1.435 229 HA CYS 31 HA CYS 31 2.306 4.774 0.025 230 1HB CYS 31 1HB CYS 31 5.212 5.270 0.187 231 2HB CYS 31 2HB CYS 31 4.218 6.710 0.082 232 H VAL 32 H VAL 32 1.450 6.754 -0.949 233 HA VAL 32 HA VAL 32 2.543 7.638 -3.446 234 HB VAL 32 HB VAL 32 1.422 5.804 -4.371 235 1HG1 VAL 32 1HG1 VAL 32 -0.050 4.717 -3.078 236 2HG1 VAL 32 2HG1 VAL 32 -0.420 6.179 -2.134 237 3HG1 VAL 32 3HG1 VAL 32 -1.267 5.873 -3.669 238 1HG2 VAL 32 1HG2 VAL 32 -0.518 8.134 -4.543 239 2HG2 VAL 32 2HG2 VAL 32 0.963 7.942 -5.512 240 3HG2 VAL 32 3HG2 VAL 32 -0.378 6.787 -5.699 241 H CYS 33 H CYS 33 1.940 9.765 -3.861 242 HA CYS 33 HA CYS 33 0.546 11.040 -1.702 243 1HB CYS 33 1HB CYS 33 2.586 12.017 -2.637 244 2HB CYS 33 2HB CYS 33 1.813 12.178 -4.202 245 H ASP 34 H ASP 34 -1.493 9.719 -2.289 246 HA ASP 34 HA ASP 34 -2.773 10.453 -4.715 247 1HB ASP 34 1HB ASP 34 -3.023 8.402 -2.790 248 2HB ASP 34 2HB ASP 34 -4.507 9.320 -2.621 249 HD2 ASP 34 HD ASP 34 -5.890 7.948 -3.619 250 H THR 35 H THR 35 -4.139 12.239 -4.973 251 HA THR 35 HA THR 35 -5.353 14.039 -4.498 252 HB THR 35 HB THR 35 -5.964 12.390 -1.990 253 HG1 THR 35 1HG THR 35 -6.568 11.540 -4.130 254 1HG2 THR 35 1HG2 THR 35 -8.166 13.803 -2.194 255 2HG2 THR 35 2HG2 THR 35 -6.763 14.573 -1.413 256 3HG2 THR 35 3HG2 THR 35 -7.165 14.960 -3.104 257 H GLY 36 H GLY 36 -2.457 13.791 -3.693 258 1HA GLY 36 1HA GLY 36 -1.030 15.418 -2.962 259 2HA GLY 36 2HA GLY 36 -2.367 16.292 -2.239 260 H THR 37 H THR 37 -3.006 13.280 -1.141 261 HA THR 37 HA THR 37 -1.447 13.731 1.304 262 HB THR 37 HB THR 37 -4.071 12.313 0.644 263 HG1 THR 37 1HG THR 37 -4.735 14.012 2.156 264 1HG2 THR 37 1HG2 THR 37 -3.625 10.945 2.442 265 2HG2 THR 37 2HG2 THR 37 -2.208 11.906 2.925 266 3HG2 THR 37 3HG2 THR 37 -3.840 12.418 3.417 267 H VAL 38 H VAL 38 -0.144 12.166 2.230 268 HA VAL 38 HA VAL 38 0.805 10.201 0.345 269 HB VAL 38 HB VAL 38 1.688 10.913 3.150 270 1HG1 VAL 38 1HG1 VAL 38 2.561 8.780 2.798 271 2HG1 VAL 38 2HG1 VAL 38 2.799 9.052 1.054 272 3HG1 VAL 38 3HG1 VAL 38 3.875 9.840 2.233 273 1HG2 VAL 38 1HG2 VAL 38 3.218 11.670 0.685 274 2HG2 VAL 38 2HG2 VAL 38 1.801 12.641 1.151 275 3HG2 VAL 38 3HG2 VAL 38 3.162 12.455 2.282 276 H LEU 39 H LEU 39 -0.813 8.631 0.125 277 HA LEU 39 HA LEU 39 -1.660 7.337 2.611 278 1HB LEU 39 1HB LEU 39 -3.417 8.199 1.147 279 2HB LEU 39 2HB LEU 39 -2.813 7.229 -0.181 280 HG LEU 39 HG LEU 39 -3.602 5.844 2.358 281 1HD1 LEU 39 1HD1 LEU 39 -5.939 5.700 1.589 282 2HD1 LEU 39 2HD1 LEU 39 -5.458 7.365 1.996 283 3HD1 LEU 39 3HD1 LEU 39 -5.573 6.863 0.293 284 1HD2 LEU 39 1HD2 LEU 39 -2.889 4.207 0.984 285 2HD2 LEU 39 2HD2 LEU 39 -4.533 4.340 0.314 286 3HD2 LEU 39 3HD2 LEU 39 -3.175 5.164 -0.490 287 H CYS 40 H CYS 40 -0.780 5.424 3.189 288 HA CYS 40 HA CYS 40 0.801 4.067 1.142 289 1HB CYS 40 1HB CYS 40 1.373 4.792 3.803 290 2HB CYS 40 2HB CYS 40 1.186 3.050 3.816 291 H ASP 41 H ASP 41 0.102 2.072 0.407 292 HA ASP 41 HA ASP 41 -2.116 0.908 1.897 293 1HB ASP 41 1HB ASP 41 -2.382 1.754 -0.574 294 2HB ASP 41 2HB ASP 41 -1.448 0.339 -1.015 295 HD2 ASP 41 HD ASP 41 -4.745 1.228 -0.289 296 H ASP 42 H ASP 42 -2.225 -1.653 1.244 297 HA ASP 42 HA ASP 42 0.353 -2.659 1.985 298 1HB ASP 42 1HB ASP 42 -2.407 -3.898 1.645 299 2HB ASP 42 2HB ASP 42 -0.997 -4.891 1.953 300 HD2 ASP 42 HD ASP 42 -2.926 -5.002 3.740 301 H ILE 43 H ILE 43 1.710 -3.856 0.579 302 HA ILE 43 HA ILE 43 1.174 -3.694 -2.195 303 HB ILE 43 HB ILE 43 3.323 -5.060 -0.578 304 1HG1 ILE 43 1HG1 ILE 43 3.242 -2.465 -2.140 305 2HG1 ILE 43 2HG1 ILE 43 3.365 -2.644 -0.402 306 1HG2 ILE 43 1HG2 ILE 43 4.050 -6.127 -2.378 307 2HG2 ILE 43 2HG2 ILE 43 2.609 -5.582 -3.268 308 3HG2 ILE 43 3HG2 ILE 43 4.097 -4.605 -3.299 309 1HD1 ILE 43 1HD1 ILE 43 5.438 -4.178 -1.843 310 2HD1 ILE 43 2HD1 ILE 43 5.514 -2.428 -2.158 311 3HD1 ILE 43 3HD1 ILE 43 5.607 -3.035 -0.488 312 H ILE 44 H ILE 44 -0.603 -4.818 -2.913 313 HA ILE 44 HA ILE 44 -0.941 -7.552 -1.997 314 HB ILE 44 HB ILE 44 -3.039 -7.370 -3.398 315 1HG1 ILE 44 1HG1 ILE 44 -2.481 -4.399 -3.371 316 2HG1 ILE 44 2HG1 ILE 44 -2.082 -5.407 -4.748 317 1HG2 ILE 44 1HG2 ILE 44 -2.423 -5.829 -0.912 318 2HG2 ILE 44 2HG2 ILE 44 -4.018 -5.619 -1.675 319 3HG2 ILE 44 3HG2 ILE 44 -3.483 -7.238 -1.159 320 1HD1 ILE 44 1HD1 ILE 44 -4.239 -5.413 -5.437 321 2HD1 ILE 44 2HD1 ILE 44 -4.783 -6.021 -3.855 322 3HD1 ILE 44 3HD1 ILE 44 -4.610 -4.270 -4.125 323 H CYS 45 H CYS 45 0.265 -9.083 -2.982 324 HA CYS 45 HA CYS 45 1.087 -8.626 -5.714 325 1HB CYS 45 1HB CYS 45 1.771 -11.127 -4.243 326 2HB CYS 45 2HB CYS 45 2.718 -10.200 -5.391 327 H GLU 46 H GLU 46 0.857 -10.565 -7.278 328 HA GLU 46 HA GLU 46 -1.801 -11.152 -7.591 329 1HB GLU 46 1HB GLU 46 0.769 -12.060 -8.803 330 2HB GLU 46 2HB GLU 46 -0.587 -13.145 -9.035 331 1HG GLU 46 1HG GLU 46 -1.946 -11.122 -9.833 332 2HG GLU 46 2HG GLU 46 -0.460 -10.191 -9.794 333 HE2 GLU 46 HE GLU 46 -1.096 -11.987 -13.070 334 H ASP 47 H ASP 47 -3.030 -12.275 -6.128 335 HA ASP 47 HA ASP 47 -1.928 -14.836 -5.284 336 1HB ASP 47 1HB ASP 47 -2.640 -14.520 -3.063 337 2HB ASP 47 2HB ASP 47 -2.044 -12.929 -3.495 338 HD2 ASP 47 HD ASP 47 -5.225 -11.505 -3.579 339 H VAL 48 H VAL 48 -4.090 -13.363 -7.235 340 HA VAL 48 HA VAL 48 -6.009 -13.922 -8.176 341 HB VAL 48 HB VAL 48 -5.762 -16.514 -6.638 342 1HG1 VAL 48 1HG1 VAL 48 -7.929 -16.495 -7.508 343 2HG1 VAL 48 2HG1 VAL 48 -7.438 -15.629 -8.983 344 3HG1 VAL 48 3HG1 VAL 48 -6.997 -17.339 -8.768 345 1HG2 VAL 48 1HG2 VAL 48 -4.928 -17.044 -9.203 346 2HG2 VAL 48 2HG2 VAL 48 -4.242 -15.427 -8.915 347 3HG2 VAL 48 3HG2 VAL 48 -3.856 -16.766 -7.810 348 H LYS 49 H LYS 49 -8.205 -13.528 -7.797 349 HA LYS 49 HA LYS 49 -8.817 -12.986 -5.000 350 1HB LYS 49 1HB LYS 49 -10.217 -12.132 -7.552 351 2HB LYS 49 2HB LYS 49 -10.687 -11.660 -5.931 352 1HG LYS 49 1HG LYS 49 -8.972 -10.146 -5.729 353 2HG LYS 49 2HG LYS 49 -7.810 -11.202 -6.507 354 1HD LYS 49 1HD LYS 49 -7.981 -9.918 -8.367 355 2HD LYS 49 2HD LYS 49 -9.615 -10.516 -8.572 356 1HE LYS 49 1HE LYS 49 -10.000 -8.580 -6.632 357 2HE LYS 49 2HE LYS 49 -8.680 -7.880 -7.544 358 1HZ LYS 49 1HZ LYS 49 -11.336 -7.878 -8.278 359 2HZ LYS 49 2HZ LYS 49 -10.089 -7.421 -9.218 360 H ASP 50 H ASP 50 -8.640 -15.694 -5.449 361 HA ASP 50 HA ASP 50 -11.425 -16.401 -5.163 362 1HB ASP 50 1HB ASP 50 -9.968 -16.982 -7.514 363 2HB ASP 50 2HB ASP 50 -9.915 -18.478 -6.603 364 HD2 ASP 50 HD ASP 50 -11.450 -17.504 -9.021 365 H CYS 51 H CYS 51 -8.993 -16.021 -3.406 366 HA CYS 51 HA CYS 51 -8.316 -18.752 -2.695 367 1HB CYS 51 1HB CYS 51 -6.984 -16.217 -2.552 368 2HB CYS 51 2HB CYS 51 -7.104 -16.882 -0.935 369 H LEU 52 H LEU 52 -8.481 -19.368 -0.327 370 HA LEU 52 HA LEU 52 -11.067 -18.733 0.637 371 1HB LEU 52 1HB LEU 52 -8.887 -20.584 1.256 372 2HB LEU 52 2HB LEU 52 -9.742 -20.025 2.680 373 HG LEU 52 HG LEU 52 -11.784 -20.681 0.895 374 1HD1 LEU 52 1HD1 LEU 52 -9.389 -22.367 0.409 375 2HD1 LEU 52 2HD1 LEU 52 -10.946 -23.211 0.583 376 3HD1 LEU 52 3HD1 LEU 52 -10.749 -21.955 -0.663 377 1HD2 LEU 52 1HD2 LEU 52 -10.586 -21.934 3.337 378 2HD2 LEU 52 2HD2 LEU 52 -12.173 -21.162 3.107 379 3HD2 LEU 52 3HD2 LEU 52 -11.870 -22.790 2.452 380 H SER 53 H SER 53 -8.241 -18.692 2.827 381 HA SER 53 HA SER 53 -9.066 -15.990 3.554 382 1HB SER 53 1HB SER 53 -8.172 -16.530 5.836 383 2HB SER 53 2HB SER 53 -9.527 -17.537 5.370 384 HG SER 53 HG SER 53 -7.093 -18.642 4.588 385 HA PRO 54 HA PRO 54 -4.980 -14.758 2.708 386 1HB PRO 54 1HB PRO 54 -4.687 -12.570 4.320 387 2HB PRO 54 2HB PRO 54 -5.541 -12.526 2.791 388 1HG PRO 54 1HG PRO 54 -6.646 -12.517 5.532 389 2HG PRO 54 2HG PRO 54 -7.426 -12.052 4.033 390 1HD PRO 54 1HD PRO 54 -7.816 -14.496 5.483 391 2HD PRO 54 2HD PRO 54 -8.505 -14.079 3.927 392 H GLU 55 H GLU 55 -2.886 -15.257 3.140 393 HA GLU 55 HA GLU 55 -2.172 -15.447 5.894 394 1HB GLU 55 1HB GLU 55 -3.318 -17.710 4.982 395 2HB GLU 55 2HB GLU 55 -1.700 -17.997 4.373 396 1HG GLU 55 1HG GLU 55 -2.417 -17.372 7.277 397 2HG GLU 55 2HG GLU 55 -1.996 -18.954 6.651 398 HE2 GLU 55 HE GLU 55 0.799 -17.172 8.189 399 H ILE 56 H ILE 56 -0.135 -14.608 6.007 400 HA ILE 56 HA ILE 56 1.379 -14.366 3.574 401 HB ILE 56 HB ILE 56 1.027 -12.768 5.715 402 1HG1 ILE 56 1HG1 ILE 56 3.446 -12.837 3.888 403 2HG1 ILE 56 2HG1 ILE 56 1.891 -12.125 3.509 404 1HG2 ILE 56 1HG2 ILE 56 3.693 -14.135 6.177 405 2HG2 ILE 56 2HG2 ILE 56 3.115 -12.665 6.998 406 3HG2 ILE 56 3HG2 ILE 56 2.266 -14.210 7.239 407 1HD1 ILE 56 1HD1 ILE 56 3.770 -11.258 5.753 408 2HD1 ILE 56 2HD1 ILE 56 3.418 -10.363 4.254 409 3HD1 ILE 56 3HD1 ILE 56 2.147 -10.579 5.482 410 HA PRO 57 HA PRO 57 3.575 -18.041 4.373 411 1HB PRO 57 1HB PRO 57 5.112 -18.033 2.112 412 2HB PRO 57 2HB PRO 57 3.482 -18.675 2.161 413 1HG PRO 57 1HG PRO 57 4.438 -16.131 0.998 414 2HG PRO 57 2HG PRO 57 2.936 -16.981 0.695 415 1HD PRO 57 1HD PRO 57 3.288 -14.646 2.323 416 2HD PRO 57 2HD PRO 57 1.810 -15.563 2.113 417 H PHE 58 H PHE 58 5.038 -18.266 5.931 418 HA PHE 58 HA PHE 58 6.702 -17.563 7.253 419 1HB PHE 58 1HB PHE 58 7.568 -19.002 5.201 420 2HB PHE 58 2HB PHE 58 8.217 -17.493 4.588 421 HD1 PHE 58 1HD PHE 58 10.324 -16.766 5.271 422 HD2 PHE 58 2HD PHE 58 8.320 -19.719 7.567 423 HE1 PHE 58 1HE PHE 58 12.392 -17.092 6.656 424 HE2 PHE 58 2HE PHE 58 10.389 -20.047 8.951 425 HZ PHE 58 HZ PHE 58 12.399 -18.729 8.479 426 H GLY 59 H GLY 59 5.197 -15.286 6.589 427 1HA GLY 59 1HA GLY 59 5.310 -13.043 6.554 428 2HA GLY 59 2HA GLY 59 6.934 -13.208 7.191 429 H GLU 60 H GLU 60 5.092 -12.075 4.580 430 HA GLU 60 HA GLU 60 7.523 -11.852 3.010 431 1HB GLU 60 1HB GLU 60 4.804 -12.514 1.801 432 2HB GLU 60 2HB GLU 60 6.312 -12.330 0.928 433 1HG GLU 60 1HG GLU 60 6.827 -14.242 2.988 434 2HG GLU 60 2HG GLU 60 5.272 -14.677 2.307 435 HE2 GLU 60 HE GLU 60 7.608 -16.429 0.455 436 H CYS 61 H CYS 61 5.335 -10.686 0.944 437 HA CYS 61 HA CYS 61 4.998 -8.144 2.354 438 1HB CYS 61 1HB CYS 61 6.173 -8.606 -0.381 439 2HB CYS 61 2HB CYS 61 5.417 -7.083 0.044 440 H CYS 62 H CYS 62 3.334 -10.664 1.621 441 HA CYS 62 HA CYS 62 1.112 -9.152 0.547 442 1HB CYS 62 1HB CYS 62 1.292 -11.808 -0.680 443 2HB CYS 62 2HB CYS 62 0.791 -10.274 -1.362 444 HA PRO 63 HA PRO 63 -0.018 -11.810 3.986 445 1HB PRO 63 1HB PRO 63 -1.742 -10.063 5.187 446 2HB PRO 63 2HB PRO 63 -0.036 -10.148 5.580 447 1HG PRO 63 1HG PRO 63 -1.472 -8.113 3.987 448 2HG PRO 63 2HG PRO 63 0.107 -8.005 4.739 449 1HD PRO 63 1HD PRO 63 -0.443 -8.418 1.955 450 2HD PRO 63 2HD PRO 63 1.132 -8.426 2.724 451 H ILE 64 H ILE 64 -0.861 -12.601 1.635 452 HA ILE 64 HA ILE 64 -3.695 -12.995 2.191 453 HB ILE 64 HB ILE 64 -4.317 -12.552 -0.102 454 1HG1 ILE 64 1HG1 ILE 64 -1.373 -12.048 -0.468 455 2HG1 ILE 64 2HG1 ILE 64 -2.451 -13.052 -1.416 456 1HG2 ILE 64 1HG2 ILE 64 -2.873 -10.045 0.579 457 2HG2 ILE 64 2HG2 ILE 64 -4.589 -10.323 0.195 458 3HG2 ILE 64 3HG2 ILE 64 -3.964 -10.713 1.815 459 1HD1 ILE 64 1HD1 ILE 64 -3.701 -10.888 -2.054 460 2HD1 ILE 64 2HD1 ILE 64 -2.323 -10.013 -1.345 461 3HD1 ILE 64 3HD1 ILE 64 -2.071 -11.091 -2.739 462 H CYS 65 H CYS 65 -4.489 -14.707 0.352 463 HA CYS 65 HA CYS 65 -2.559 -16.865 0.630 464 1HB CYS 65 1HB CYS 65 -4.531 -17.648 1.473 465 2HB CYS 65 2HB CYS 65 -5.520 -16.701 0.379 466 HA PRO 66 HA PRO 66 -1.785 -16.213 -3.660 467 1HB PRO 66 1HB PRO 66 0.304 -17.958 -3.906 468 2HB PRO 66 2HB PRO 66 0.497 -16.301 -3.369 469 1HG PRO 66 1HG PRO 66 0.577 -18.788 -1.772 470 2HG PRO 66 2HG PRO 66 1.178 -17.196 -1.355 471 1HD PRO 66 1HD PRO 66 -1.232 -18.426 -0.403 472 2HD PRO 66 2HD PRO 66 -0.691 -16.792 -0.077 473 H ALA 67 H ALA 67 -2.034 -17.235 -5.717 474 HA ALA 67 HA ALA 67 -2.945 -19.989 -5.525 475 1HB ALA 67 1HB ALA 67 -5.130 -19.537 -5.800 476 2HB ALA 67 2HB ALA 67 -4.758 -17.821 -5.508 477 3HB ALA 67 3HB ALA 67 -4.784 -18.457 -7.171 478 H ASP 68 H ASP 68 -0.530 -19.383 -6.516 479 HA ASP 68 HA ASP 68 -0.890 -19.982 -9.265 480 1HB ASP 68 1HB ASP 68 0.699 -18.101 -9.992 481 2HB ASP 68 2HB ASP 68 -0.940 -17.618 -9.602 482 HD2 ASP 68 HD ASP 68 0.207 -15.621 -9.455 483 H LEU 69 H LEU 69 0.145 -21.571 -7.258 484 HA LEU 69 HA LEU 69 3.025 -21.475 -7.798 485 1HB LEU 69 1HB LEU 69 1.679 -21.969 -5.141 486 2HB LEU 69 2HB LEU 69 3.361 -22.333 -5.470 487 HG LEU 69 HG LEU 69 2.334 -19.550 -5.947 488 1HD1 LEU 69 1HD1 LEU 69 1.513 -19.802 -3.778 489 2HD1 LEU 69 2HD1 LEU 69 2.881 -20.823 -3.271 490 3HD1 LEU 69 3HD1 LEU 69 3.123 -19.080 -3.542 491 1HD2 LEU 69 1HD2 LEU 69 4.999 -20.820 -5.348 492 2HD2 LEU 69 2HD2 LEU 69 4.519 -19.801 -6.726 493 3HD2 LEU 69 3HD2 LEU 69 4.723 -19.078 -5.112 494 H ALA 70 H ALA 70 2.478 -22.955 -9.561 495 HA ALA 70 HA ALA 70 2.202 -25.674 -8.525 496 1HB ALA 70 1HB ALA 70 -0.012 -24.634 -9.427 497 2HB ALA 70 2HB ALA 70 0.744 -24.804 -11.029 498 3HB ALA 70 3HB ALA 70 0.474 -26.242 -10.016 499 H ALA 71 H ALA 71 4.421 -26.052 -8.858 500 HA ALA 71 HA ALA 71 5.124 -26.638 -11.553 501 1HB ALA 71 1HB ALA 71 5.518 -24.020 -10.971 502 2HB ALA 71 2HB ALA 71 7.046 -24.696 -10.357 503 3HB ALA 71 3HB ALA 71 6.581 -24.947 -12.057 504 H ALA 72 H ALA 72 6.713 -25.725 -8.405 505 HA ALA 72 HA ALA 72 8.523 -27.901 -8.577 506 1HB ALA 72 1HB ALA 72 8.238 -25.521 -7.105 507 2HB ALA 72 2HB ALA 72 8.124 -26.825 -5.898 508 3HB ALA 72 3HB ALA 72 9.548 -26.717 -6.962 509 H ALA 73 H ALA 73 8.673 -29.558 -6.710 510 HA ALA 73 HA ALA 73 6.267 -31.049 -6.728 511 1HB ALA 73 1HB ALA 73 8.736 -31.452 -5.000 512 2HB ALA 73 2HB ALA 73 7.555 -32.681 -5.513 513 3HB ALA 73 3HB ALA 73 8.641 -31.937 -6.710 Start of MODEL 4 1 1H TYR 1 H TYR 1 -11.414 10.873 6.297 2 HA TYR 1 HA TYR 1 -12.330 9.016 4.570 3 1HB TYR 1 1HB TYR 1 -14.331 9.914 6.691 4 2HB TYR 1 2HB TYR 1 -14.938 9.637 5.069 5 HD1 TYR 1 1HD TYR 1 -13.513 8.054 8.067 6 HD2 TYR 1 2HD TYR 1 -15.034 7.384 4.124 7 HE1 TYR 1 1HE TYR 1 -13.700 5.565 8.554 8 HE2 TYR 1 2HE TYR 1 -15.215 4.898 4.625 9 HH TYR 1 HH TYR 1 -14.531 3.290 6.019 10 H VAL 2 H VAL 2 -13.456 12.132 6.054 11 HA VAL 2 HA VAL 2 -13.237 13.298 3.367 12 HB VAL 2 HB VAL 2 -15.568 12.994 3.910 13 1HG1 VAL 2 1HG1 VAL 2 -15.247 12.912 6.402 14 2HG1 VAL 2 2HG1 VAL 2 -15.127 14.687 6.388 15 3HG1 VAL 2 3HG1 VAL 2 -16.632 13.892 5.865 16 1HG2 VAL 2 1HG2 VAL 2 -15.654 14.902 2.718 17 2HG2 VAL 2 2HG2 VAL 2 -16.008 15.681 4.279 18 3HG2 VAL 2 3HG2 VAL 2 -14.342 15.660 3.652 19 H GLU 3 H GLU 3 -11.544 14.677 3.343 20 HA GLU 3 HA GLU 3 -11.315 16.493 5.572 21 1HB GLU 3 1HB GLU 3 -9.183 14.512 4.741 22 2HB GLU 3 2HB GLU 3 -8.715 16.057 5.422 23 1HG GLU 3 1HG GLU 3 -10.059 15.614 7.452 24 2HG GLU 3 2HG GLU 3 -10.656 14.117 6.765 25 HE2 GLU 3 HE GLU 3 -8.001 12.704 8.530 26 H PHE 4 H PHE 4 -9.611 15.420 2.535 27 HA PHE 4 HA PHE 4 -8.792 16.574 0.838 28 1HB PHE 4 1HB PHE 4 -11.452 17.867 1.552 29 2HB PHE 4 2HB PHE 4 -10.494 18.635 0.300 30 HD1 PHE 4 1HD PHE 4 -10.211 17.596 -1.861 31 HD2 PHE 4 2HD PHE 4 -12.392 15.629 1.202 32 HE1 PHE 4 1HE PHE 4 -11.129 15.984 -3.551 33 HE2 PHE 4 2HE PHE 4 -13.311 14.016 -0.489 34 HZ PHE 4 HZ PHE 4 -12.668 14.213 -2.845 35 H GLN 5 H GLN 5 -6.841 17.367 1.763 36 HA GLN 5 HA GLN 5 -7.035 20.033 2.899 37 1HB GLN 5 1HB GLN 5 -5.668 17.826 3.797 38 2HB GLN 5 2HB GLN 5 -4.407 18.625 2.879 39 1HG GLN 5 1HG GLN 5 -4.242 20.362 4.367 40 2HG GLN 5 2HG GLN 5 -5.979 20.493 4.560 41 1HE2 GLN 5 1HE2 GLN 5 -3.282 18.287 5.288 42 2HE2 GLN 5 2HE2 GLN 5 -3.801 17.817 6.872 43 H GLU 6 H GLU 6 -6.242 21.822 1.828 44 HA GLU 6 HA GLU 6 -5.737 21.661 -0.862 45 1HB GLU 6 1HB GLU 6 -5.046 24.027 -0.679 46 2HB GLU 6 2HB GLU 6 -6.482 23.717 0.275 47 1HG GLU 6 1HG GLU 6 -5.406 24.548 2.087 48 2HG GLU 6 2HG GLU 6 -4.318 23.176 2.028 49 HE2 GLU 6 HE GLU 6 -2.944 24.898 2.859 50 H ALA 7 H ALA 7 -4.045 20.667 -1.869 51 HA ALA 7 HA ALA 7 -1.406 21.484 -1.428 52 1HB ALA 7 1HB ALA 7 -0.436 19.668 -0.269 53 2HB ALA 7 2HB ALA 7 -1.911 20.030 0.658 54 3HB ALA 7 3HB ALA 7 -1.884 18.652 -0.466 55 H GLY 8 H GLY 8 0.083 20.379 -2.936 56 1HA GLY 8 1HA GLY 8 -1.425 19.045 -5.101 57 2HA GLY 8 2HA GLY 8 -0.039 20.092 -5.328 58 H SER 9 H SER 9 1.858 19.261 -3.538 59 HA SER 9 HA SER 9 2.164 16.448 -4.248 60 1HB SER 9 1HB SER 9 4.603 16.848 -4.306 61 2HB SER 9 2HB SER 9 3.768 17.892 -5.439 62 HG SER 9 HG SER 9 3.928 19.147 -3.002 63 H CYS 10 H CYS 10 3.962 15.404 -2.668 64 HA CYS 10 HA CYS 10 3.117 16.163 0.028 65 1HB CYS 10 1HB CYS 10 4.065 13.757 0.488 66 2HB CYS 10 2HB CYS 10 2.432 14.008 -0.096 67 H VAL 11 H VAL 11 4.819 16.076 1.729 68 HA VAL 11 HA VAL 11 7.452 16.666 0.575 69 HB VAL 11 HB VAL 11 7.823 18.138 2.339 70 1HG1 VAL 11 1HG1 VAL 11 5.631 18.491 0.700 71 2HG1 VAL 11 2HG1 VAL 11 4.964 18.817 2.318 72 3HG1 VAL 11 3HG1 VAL 11 6.369 19.740 1.731 73 1HG2 VAL 11 1HG2 VAL 11 5.556 16.725 3.760 74 2HG2 VAL 11 2HG2 VAL 11 7.256 16.890 4.263 75 3HG2 VAL 11 3HG2 VAL 11 6.177 18.305 4.293 76 H GLN 12 H GLN 12 8.807 14.952 0.669 77 HA GLN 12 HA GLN 12 8.565 13.272 3.043 78 1HB GLN 12 1HB GLN 12 8.139 12.381 0.558 79 2HB GLN 12 2HB GLN 12 9.889 12.285 0.520 80 1HG GLN 12 1HG GLN 12 9.965 10.731 2.340 81 2HG GLN 12 2HG GLN 12 8.331 11.106 2.847 82 1HE2 GLN 12 1HE2 GLN 12 9.826 10.323 -0.291 83 2HE2 GLN 12 2HE2 GLN 12 8.800 8.987 -0.697 84 H ASP 13 H ASP 13 10.098 14.107 4.445 85 HA ASP 13 HA ASP 13 12.079 14.428 5.282 86 1HB ASP 13 1HB ASP 13 12.630 12.571 3.267 87 2HB ASP 13 2HB ASP 13 13.743 13.871 2.891 88 HD2 ASP 13 HD ASP 13 15.824 13.659 4.454 89 H GLY 14 H GLY 14 10.631 16.125 2.928 90 1HA GLY 14 1HA GLY 14 10.985 18.461 2.750 91 2HA GLY 14 2HA GLY 14 12.715 18.209 2.873 92 H GLN 15 H GLN 15 10.829 15.955 0.911 93 HA GLN 15 HA GLN 15 11.863 17.320 -1.454 94 1HB GLN 15 1HB GLN 15 13.064 15.198 -0.988 95 2HB GLN 15 2HB GLN 15 11.546 14.321 -0.988 96 1HG GLN 15 1HG GLN 15 11.477 14.229 -3.263 97 2HG GLN 15 2HG GLN 15 11.834 15.937 -3.424 98 1HE2 GLN 15 1HE2 GLN 15 12.820 13.413 -4.747 99 2HE2 GLN 15 2HE2 GLN 15 14.549 13.507 -4.705 100 H ARG 16 H ARG 16 10.398 17.786 -3.079 101 HA ARG 16 HA ARG 16 7.673 17.264 -2.450 102 1HB ARG 16 1HB ARG 16 7.202 18.706 -4.423 103 2HB ARG 16 2HB ARG 16 8.373 19.464 -3.364 104 1HG ARG 16 1HG ARG 16 10.231 18.647 -4.820 105 2HG ARG 16 2HG ARG 16 9.070 17.863 -5.872 106 1HD ARG 16 1HD ARG 16 7.982 20.292 -6.011 107 2HD ARG 16 2HD ARG 16 9.561 20.826 -5.473 108 HE ARG 16 HE ARG 16 10.220 19.132 -7.527 109 1HH1 ARG 16 2HH2 ARG 16 7.902 21.804 -7.322 110 2HH1 ARG 16 1HH2 ARG 16 8.033 22.209 -9.001 111 1HH2 ARG 16 1HH ARG 16 9.503 20.939 -10.405 112 H TYR 17 H TYR 17 6.299 15.780 -3.481 113 HA TYR 17 HA TYR 17 7.410 14.356 -5.796 114 1HB TYR 17 1HB TYR 17 6.291 13.430 -3.108 115 2HB TYR 17 2HB TYR 17 6.040 12.400 -4.503 116 HD1 TYR 17 1HD TYR 17 7.975 11.345 -5.651 117 HD2 TYR 17 2HD TYR 17 8.470 13.648 -2.080 118 HE1 TYR 17 1HE TYR 17 10.287 10.344 -5.318 119 HE2 TYR 17 2HE TYR 17 10.781 12.640 -1.759 120 HH TYR 17 HH TYR 17 11.855 10.313 -2.556 121 H ASN 18 H ASN 18 6.027 14.373 -7.496 122 HA ASN 18 HA ASN 18 3.625 15.649 -7.402 123 1HB ASN 18 1HB ASN 18 4.961 13.725 -9.295 124 2HB ASN 18 2HB ASN 18 3.247 13.983 -9.541 125 1HD2 ASN 18 1HD2 ASN 18 5.007 14.703 -11.459 126 2HD2 ASN 18 2HD2 ASN 18 5.119 16.425 -11.609 127 H ASP 19 H ASP 19 1.475 14.341 -8.272 128 HA ASP 19 HA ASP 19 0.812 12.627 -6.133 129 1HB ASP 19 1HB ASP 19 -1.324 12.350 -7.711 130 2HB ASP 19 2HB ASP 19 -1.047 13.834 -6.820 131 HD2 ASP 19 HD ASP 19 -2.082 14.372 -10.156 132 H LYS 20 H LYS 20 0.507 12.195 -9.748 133 HA LYS 20 HA LYS 20 0.189 9.487 -9.768 134 1HB LYS 20 1HB LYS 20 -0.057 11.120 -11.676 135 2HB LYS 20 2HB LYS 20 1.685 11.086 -11.861 136 1HG LYS 20 1HG LYS 20 0.282 8.429 -11.735 137 2HG LYS 20 2HG LYS 20 0.044 9.383 -13.187 138 1HD LYS 20 1HD LYS 20 2.327 9.318 -13.778 139 2HD LYS 20 2HD LYS 20 2.855 9.036 -12.130 140 1HE LYS 20 1HE LYS 20 2.249 6.733 -12.189 141 2HE LYS 20 2HE LYS 20 1.158 6.954 -13.543 142 1HZ LYS 20 1HZ LYS 20 4.055 6.657 -13.577 143 2HZ LYS 20 2HZ LYS 20 2.959 6.161 -14.675 144 H ASP 21 H ASP 21 3.047 11.358 -8.994 145 HA ASP 21 HA ASP 21 4.990 9.546 -9.679 146 1HB ASP 21 1HB ASP 21 4.695 11.811 -7.762 147 2HB ASP 21 2HB ASP 21 5.959 10.671 -7.344 148 HD2 ASP 21 HD ASP 21 8.115 12.269 -8.968 149 H VAL 22 H VAL 22 4.683 7.355 -9.092 150 HA VAL 22 HA VAL 22 3.989 6.831 -6.293 151 HB VAL 22 HB VAL 22 3.814 5.119 -8.779 152 1HG1 VAL 22 1HG1 VAL 22 3.450 3.290 -7.528 153 2HG1 VAL 22 2HG1 VAL 22 4.194 4.207 -6.197 154 3HG1 VAL 22 3HG1 VAL 22 2.424 4.172 -6.373 155 1HG2 VAL 22 1HG2 VAL 22 1.951 6.389 -9.030 156 2HG2 VAL 22 2HG2 VAL 22 1.288 5.269 -7.816 157 3HG2 VAL 22 3HG2 VAL 22 1.905 6.861 -7.314 158 H TRP 23 H TRP 23 5.484 5.963 -4.927 159 HA TRP 23 HA TRP 23 7.900 4.844 -6.171 160 1HB TRP 23 1HB TRP 23 9.296 5.932 -4.602 161 2HB TRP 23 2HB TRP 23 8.287 7.154 -5.351 162 HD1 TRP 23 HD TRP 23 8.887 5.473 -1.951 163 HE1 TRP 23 1HE TRP 23 7.692 6.790 0.000 164 HE3 TRP 23 3HE TRP 23 6.286 8.633 -4.969 165 HZ2 TRP 23 2HZ TRP 23 5.836 8.956 0.060 166 HZ3 TRP 23 3HZ TRP 23 4.805 10.320 -3.883 167 HH2 TRP 23 HH TRP 23 4.558 10.511 -1.459 168 H LYS 24 H LYS 24 8.832 3.070 -4.978 169 HA LYS 24 HA LYS 24 6.995 1.986 -2.958 170 1HB LYS 24 1HB LYS 24 7.751 0.884 -5.400 171 2HB LYS 24 2HB LYS 24 8.777 0.059 -4.245 172 1HG LYS 24 1HG LYS 24 6.954 -1.293 -3.933 173 2HG LYS 24 2HG LYS 24 6.396 -0.005 -2.884 174 1HD LYS 24 1HD LYS 24 4.593 0.260 -4.231 175 2HD LYS 24 2HD LYS 24 5.663 0.810 -5.506 176 1HE LYS 24 1HE LYS 24 6.073 -1.761 -5.946 177 2HE LYS 24 2HE LYS 24 4.609 -1.993 -5.013 178 1HZ LYS 24 1HZ LYS 24 3.356 -0.813 -6.596 179 2HZ LYS 24 2HZ LYS 24 4.648 -0.086 -7.270 180 HA PRO 25 HA PRO 25 10.627 2.757 -0.561 181 1HB PRO 25 1HB PRO 25 9.358 2.972 1.850 182 2HB PRO 25 2HB PRO 25 9.622 4.335 0.782 183 1HG PRO 25 1HG PRO 25 7.122 2.848 1.305 184 2HG PRO 25 2HG PRO 25 7.326 4.437 0.595 185 1HD PRO 25 1HD PRO 25 6.730 2.000 -0.796 186 2HD PRO 25 2HD PRO 25 7.049 3.566 -1.514 187 H GLU 26 H GLU 26 8.105 0.434 0.061 188 HA GLU 26 HA GLU 26 10.236 -1.342 0.945 189 1HB GLU 26 1HB GLU 26 7.511 -0.922 2.230 190 2HB GLU 26 2HB GLU 26 8.453 -2.374 2.509 191 1HG GLU 26 1HG GLU 26 10.382 -0.493 2.978 192 2HG GLU 26 2HG GLU 26 8.964 0.430 3.434 193 HE2 GLU 26 HE GLU 26 7.998 -2.487 5.353 194 HA PRO 27 HA PRO 27 8.456 -4.059 -1.932 195 1HB PRO 27 1HB PRO 27 9.361 -6.480 -1.043 196 2HB PRO 27 2HB PRO 27 10.345 -5.375 -1.980 197 1HG PRO 27 1HG PRO 27 10.466 -5.966 0.914 198 2HG PRO 27 2HG PRO 27 11.679 -5.214 -0.105 199 1HD PRO 27 1HD PRO 27 9.938 -3.893 1.754 200 2HD PRO 27 2HD PRO 27 11.069 -3.131 0.653 201 H CYS 28 H CYS 28 7.519 -4.055 1.277 202 HA CYS 28 HA CYS 28 5.266 -5.788 0.566 203 1HB CYS 28 1HB CYS 28 6.576 -5.356 3.255 204 2HB CYS 28 2HB CYS 28 5.045 -6.178 3.034 205 H ARG 29 H ARG 29 6.322 -2.629 0.957 206 HA ARG 29 HA ARG 29 3.633 -1.815 1.682 207 1HB ARG 29 1HB ARG 29 5.850 -1.448 3.351 208 2HB ARG 29 2HB ARG 29 5.754 0.089 2.513 209 1HG ARG 29 1HG ARG 29 4.075 0.697 3.907 210 2HG ARG 29 2HG ARG 29 3.070 -0.544 3.185 211 1HD ARG 29 1HD ARG 29 3.591 -2.139 4.871 212 2HD ARG 29 2HD ARG 29 5.060 -1.306 5.344 213 HE ARG 29 HE ARG 29 2.366 -0.743 6.296 214 1HH1 ARG 29 2HH2 ARG 29 5.538 0.725 5.717 215 2HH1 ARG 29 1HH2 ARG 29 5.308 1.982 6.886 216 1HH2 ARG 29 1HH ARG 29 3.256 2.075 8.121 217 H ILE 30 H ILE 30 2.776 -0.328 0.229 218 HA ILE 30 HA ILE 30 4.687 0.862 -1.658 219 HB ILE 30 HB ILE 30 2.925 0.841 -3.296 220 1HG1 ILE 30 1HG1 ILE 30 1.043 -0.813 -1.732 221 2HG1 ILE 30 2HG1 ILE 30 1.164 0.852 -1.199 222 1HG2 ILE 30 1HG2 ILE 30 3.096 -1.373 -3.866 223 2HG2 ILE 30 2HG2 ILE 30 4.397 -1.246 -2.657 224 3HG2 ILE 30 3HG2 ILE 30 2.824 -1.943 -2.202 225 1HD1 ILE 30 1HD1 ILE 30 0.398 1.720 -3.240 226 2HD1 ILE 30 2HD1 ILE 30 0.919 0.287 -4.159 227 3HD1 ILE 30 3HD1 ILE 30 -0.529 0.205 -3.128 228 H CYS 31 H CYS 31 4.610 3.078 -2.048 229 HA CYS 31 HA CYS 31 2.661 4.530 -0.410 230 1HB CYS 31 1HB CYS 31 5.531 4.575 -0.254 231 2HB CYS 31 2HB CYS 31 4.956 6.149 -0.767 232 H VAL 32 H VAL 32 1.542 6.145 -1.527 233 HA VAL 32 HA VAL 32 2.620 7.019 -4.086 234 HB VAL 32 HB VAL 32 1.284 5.147 -4.717 235 1HG1 VAL 32 1HG1 VAL 32 -0.038 5.100 -2.548 236 2HG1 VAL 32 2HG1 VAL 32 -1.095 6.339 -3.266 237 3HG1 VAL 32 3HG1 VAL 32 -0.957 4.737 -4.029 238 1HG2 VAL 32 1HG2 VAL 32 0.201 6.189 -6.406 239 2HG2 VAL 32 2HG2 VAL 32 -0.742 7.224 -5.307 240 3HG2 VAL 32 3HG2 VAL 32 0.936 7.655 -5.715 241 H CYS 33 H CYS 33 2.033 9.145 -4.610 242 HA CYS 33 HA CYS 33 0.759 10.548 -2.408 243 1HB CYS 33 1HB CYS 33 3.040 11.156 -3.531 244 2HB CYS 33 2HB CYS 33 2.038 11.888 -4.768 245 H ASP 34 H ASP 34 -1.397 11.049 -2.592 246 HA ASP 34 HA ASP 34 -2.447 11.182 -5.308 247 1HB ASP 34 1HB ASP 34 -3.443 9.329 -4.084 248 2HB ASP 34 2HB ASP 34 -3.733 10.334 -2.678 249 HD2 ASP 34 HD ASP 34 -6.222 9.644 -3.105 250 H THR 35 H THR 35 -2.686 13.376 -5.806 251 HA THR 35 HA THR 35 -3.265 15.516 -5.642 252 HB THR 35 HB THR 35 -5.074 14.522 -3.377 253 HG1 THR 35 1HG THR 35 -6.523 14.508 -5.408 254 1HG2 THR 35 1HG2 THR 35 -6.082 16.549 -5.266 255 2HG2 THR 35 2HG2 THR 35 -6.135 16.551 -3.487 256 3HG2 THR 35 3HG2 THR 35 -4.687 17.146 -4.336 257 H GLY 36 H GLY 36 -1.021 14.300 -3.991 258 1HA GLY 36 1HA GLY 36 0.613 15.625 -2.953 259 2HA GLY 36 2HA GLY 36 -0.632 16.680 -2.313 260 H THR 37 H THR 37 -1.888 13.601 -1.961 261 HA THR 37 HA THR 37 -0.912 13.469 0.805 262 HB THR 37 HB THR 37 -3.397 12.257 -0.517 263 HG1 THR 37 1HG THR 37 -3.388 14.611 -0.457 264 1HG2 THR 37 1HG2 THR 37 -3.870 11.364 1.534 265 2HG2 THR 37 2HG2 THR 37 -2.208 11.767 2.027 266 3HG2 THR 37 3HG2 THR 37 -3.531 12.919 2.330 267 H VAL 38 H VAL 38 0.682 12.083 1.217 268 HA VAL 38 HA VAL 38 0.994 9.816 -0.587 269 HB VAL 38 HB VAL 38 2.970 11.040 -0.330 270 1HG1 VAL 38 1HG1 VAL 38 2.663 12.503 1.449 271 2HG1 VAL 38 2HG1 VAL 38 2.211 11.204 2.578 272 3HG1 VAL 38 3HG1 VAL 38 3.909 11.401 2.082 273 1HG2 VAL 38 1HG2 VAL 38 3.713 8.866 -0.259 274 2HG2 VAL 38 2HG2 VAL 38 4.368 9.467 1.283 275 3HG2 VAL 38 3HG2 VAL 38 2.869 8.508 1.266 276 H LEU 39 H LEU 39 -0.133 8.015 -0.057 277 HA LEU 39 HA LEU 39 -0.331 7.398 2.810 278 1HB LEU 39 1HB LEU 39 -2.463 6.613 2.538 279 2HB LEU 39 2HB LEU 39 -2.442 8.016 1.490 280 HG LEU 39 HG LEU 39 -2.097 5.157 0.547 281 1HD1 LEU 39 1HD1 LEU 39 -4.498 6.796 1.069 282 2HD1 LEU 39 2HD1 LEU 39 -4.460 5.968 -0.506 283 3HD1 LEU 39 3HD1 LEU 39 -4.296 5.028 0.996 284 1HD2 LEU 39 1HD2 LEU 39 -2.083 7.810 -0.843 285 2HD2 LEU 39 2HD2 LEU 39 -1.066 6.373 -1.106 286 3HD2 LEU 39 3HD2 LEU 39 -2.752 6.388 -1.680 287 H CYS 40 H CYS 40 0.506 5.476 3.505 288 HA CYS 40 HA CYS 40 1.728 3.840 1.427 289 1HB CYS 40 1HB CYS 40 2.495 4.662 4.095 290 2HB CYS 40 2HB CYS 40 2.524 2.914 3.957 291 H ASP 41 H ASP 41 0.889 1.816 0.969 292 HA ASP 41 HA ASP 41 -0.978 0.746 2.932 293 1HB ASP 41 1HB ASP 41 -1.805 1.739 0.554 294 2HB ASP 41 2HB ASP 41 -1.333 0.144 0.000 295 HD2 ASP 41 HD ASP 41 -3.174 1.592 2.530 296 H ASP 42 H ASP 42 -1.389 -1.767 2.244 297 HA ASP 42 HA ASP 42 1.247 -2.880 2.078 298 1HB ASP 42 1HB ASP 42 -1.521 -4.057 2.574 299 2HB ASP 42 2HB ASP 42 -0.096 -5.066 2.434 300 HD2 ASP 42 HD ASP 42 0.875 -4.705 5.561 301 H ILE 43 H ILE 43 1.832 -4.520 0.443 302 HA ILE 43 HA ILE 43 0.661 -3.993 -2.103 303 HB ILE 43 HB ILE 43 3.125 -4.719 -1.217 304 1HG1 ILE 43 1HG1 ILE 43 2.061 -5.128 -4.026 305 2HG1 ILE 43 2HG1 ILE 43 2.479 -3.573 -3.335 306 1HG2 ILE 43 1HG2 ILE 43 2.407 -7.035 -0.800 307 2HG2 ILE 43 2HG2 ILE 43 1.947 -7.193 -2.513 308 3HG2 ILE 43 3HG2 ILE 43 3.652 -6.934 -2.069 309 1HD1 ILE 43 1HD1 ILE 43 4.235 -5.649 -4.430 310 2HD1 ILE 43 2HD1 ILE 43 4.592 -3.942 -4.075 311 3HD1 ILE 43 3HD1 ILE 43 4.733 -5.167 -2.791 312 H ILE 44 H ILE 44 -1.234 -4.846 -2.758 313 HA ILE 44 HA ILE 44 -2.054 -7.380 -1.582 314 HB ILE 44 HB ILE 44 -4.231 -6.799 -2.710 315 1HG1 ILE 44 1HG1 ILE 44 -3.026 -4.042 -3.027 316 2HG1 ILE 44 2HG1 ILE 44 -3.109 -5.193 -4.345 317 1HG2 ILE 44 1HG2 ILE 44 -4.368 -6.426 -0.472 318 2HG2 ILE 44 2HG2 ILE 44 -2.954 -5.344 -0.446 319 3HG2 ILE 44 3HG2 ILE 44 -4.523 -4.745 -1.038 320 1HD1 ILE 44 1HD1 ILE 44 -5.526 -5.277 -4.253 321 2HD1 ILE 44 2HD1 ILE 44 -5.554 -4.387 -2.712 322 3HD1 ILE 44 3HD1 ILE 44 -5.063 -3.558 -4.208 323 H CYS 45 H CYS 45 -1.253 -9.146 -2.603 324 HA CYS 45 HA CYS 45 -0.914 -8.987 -5.485 325 1HB CYS 45 1HB CYS 45 -0.122 -11.447 -4.054 326 2HB CYS 45 2HB CYS 45 0.701 -10.553 -5.318 327 H GLU 46 H GLU 46 -2.473 -9.855 -6.812 328 HA GLU 46 HA GLU 46 -4.694 -11.137 -5.636 329 1HB GLU 46 1HB GLU 46 -3.908 -10.117 -8.305 330 2HB GLU 46 2HB GLU 46 -4.952 -11.523 -8.375 331 1HG GLU 46 1HG GLU 46 -6.766 -10.349 -7.645 332 2HG GLU 46 2HG GLU 46 -5.865 -9.604 -6.340 333 HE2 GLU 46 HE GLU 46 -7.493 -8.893 -8.912 334 H ASP 47 H ASP 47 -4.892 -13.274 -5.138 335 HA ASP 47 HA ASP 47 -3.977 -15.239 -6.925 336 1HB ASP 47 1HB ASP 47 -1.962 -14.376 -5.288 337 2HB ASP 47 2HB ASP 47 -2.681 -15.585 -4.242 338 HD2 ASP 47 HD ASP 47 -0.413 -15.931 -7.229 339 H VAL 48 H VAL 48 -6.431 -14.347 -5.542 340 HA VAL 48 HA VAL 48 -7.326 -16.838 -4.570 341 HB VAL 48 HB VAL 48 -5.973 -15.991 -2.629 342 1HG1 VAL 48 1HG1 VAL 48 -7.461 -13.613 -3.124 343 2HG1 VAL 48 2HG1 VAL 48 -7.943 -14.227 -1.524 344 3HG1 VAL 48 3HG1 VAL 48 -6.227 -13.908 -1.876 345 1HG2 VAL 48 1HG2 VAL 48 -7.340 -17.090 -1.190 346 2HG2 VAL 48 2HG2 VAL 48 -8.762 -16.108 -1.617 347 3HG2 VAL 48 3HG2 VAL 48 -8.253 -17.447 -2.676 348 H LYS 49 H LYS 49 -9.676 -16.426 -3.534 349 HA LYS 49 HA LYS 49 -10.888 -14.360 -5.232 350 1HB LYS 49 1HB LYS 49 -11.738 -17.147 -4.498 351 2HB LYS 49 2HB LYS 49 -12.955 -15.945 -4.878 352 1HG LYS 49 1HG LYS 49 -12.590 -16.527 -7.055 353 2HG LYS 49 2HG LYS 49 -11.152 -15.533 -6.933 354 1HD LYS 49 1HD LYS 49 -9.750 -17.339 -6.987 355 2HD LYS 49 2HD LYS 49 -10.729 -18.251 -5.856 356 1HE LYS 49 1HE LYS 49 -11.468 -17.865 -8.796 357 2HE LYS 49 2HE LYS 49 -10.590 -19.256 -8.193 358 1HZ LYS 49 1HZ LYS 49 -13.394 -18.662 -7.944 359 2HZ LYS 49 2HZ LYS 49 -12.639 -20.100 -7.827 360 H ASP 50 H ASP 50 -12.049 -16.275 -2.386 361 HA ASP 50 HA ASP 50 -12.135 -13.821 -0.877 362 1HB ASP 50 1HB ASP 50 -14.532 -15.429 -1.770 363 2HB ASP 50 2HB ASP 50 -14.576 -14.700 -0.177 364 HD2 ASP 50 HD ASP 50 -14.633 -11.578 -0.998 365 H CYS 51 H CYS 51 -10.322 -15.718 -0.303 366 HA CYS 51 HA CYS 51 -10.992 -18.025 0.944 367 1HB CYS 51 1HB CYS 51 -8.703 -17.324 0.444 368 2HB CYS 51 2HB CYS 51 -8.778 -16.106 1.703 369 H LEU 52 H LEU 52 -10.951 -18.494 3.397 370 HA LEU 52 HA LEU 52 -13.042 -17.254 4.649 371 1HB LEU 52 1HB LEU 52 -10.760 -18.956 5.548 372 2HB LEU 52 2HB LEU 52 -11.777 -18.207 6.762 373 HG LEU 52 HG LEU 52 -12.962 -19.848 4.525 374 1HD1 LEU 52 1HD1 LEU 52 -11.944 -21.666 5.305 375 2HD1 LEU 52 2HD1 LEU 52 -11.304 -20.795 6.720 376 3HD1 LEU 52 3HD1 LEU 52 -12.944 -21.488 6.768 377 1HD2 LEU 52 1HD2 LEU 52 -14.242 -19.932 7.140 378 2HD2 LEU 52 2HD2 LEU 52 -14.099 -18.274 6.508 379 3HD2 LEU 52 3HD2 LEU 52 -14.915 -19.527 5.543 380 H SER 53 H SER 53 -9.656 -16.922 5.899 381 HA SER 53 HA SER 53 -10.227 -14.083 6.189 382 1HB SER 53 1HB SER 53 -9.278 -16.047 8.280 383 2HB SER 53 2HB SER 53 -8.740 -14.382 8.375 384 HG SER 53 HG SER 53 -11.002 -13.717 8.368 385 HA PRO 54 HA PRO 54 -6.217 -13.639 4.560 386 1HB PRO 54 1HB PRO 54 -5.457 -11.195 5.517 387 2HB PRO 54 2HB PRO 54 -6.531 -11.396 4.148 388 1HG PRO 54 1HG PRO 54 -7.185 -10.593 6.917 389 2HG PRO 54 2HG PRO 54 -8.141 -10.392 5.461 390 1HD PRO 54 1HD PRO 54 -8.540 -12.350 7.519 391 2HD PRO 54 2HD PRO 54 -9.421 -12.222 6.009 392 H GLU 55 H GLU 55 -4.131 -14.280 4.831 393 HA GLU 55 HA GLU 55 -3.012 -13.914 7.424 394 1HB GLU 55 1HB GLU 55 -4.503 -16.226 7.115 395 2HB GLU 55 2HB GLU 55 -2.901 -16.785 6.678 396 1HG GLU 55 1HG GLU 55 -3.350 -15.132 9.192 397 2HG GLU 55 2HG GLU 55 -3.591 -16.868 9.197 398 HE2 GLU 55 HE GLU 55 -0.750 -14.799 9.737 399 H ILE 56 H ILE 56 -0.895 -13.403 7.070 400 HA ILE 56 HA ILE 56 0.215 -13.827 4.477 401 HB ILE 56 HB ILE 56 0.525 -11.967 6.432 402 1HG1 ILE 56 1HG1 ILE 56 2.588 -12.532 4.288 403 2HG1 ILE 56 2HG1 ILE 56 1.001 -11.869 3.949 404 1HG2 ILE 56 1HG2 ILE 56 2.837 -12.090 7.239 405 2HG2 ILE 56 2HG2 ILE 56 1.854 -13.445 7.845 406 3HG2 ILE 56 3HG2 ILE 56 3.006 -13.706 6.514 407 1HD1 ILE 56 1HD1 ILE 56 2.979 -10.617 5.909 408 2HD1 ILE 56 2HD1 ILE 56 2.786 -10.110 4.214 409 3HD1 ILE 56 3HD1 ILE 56 1.438 -9.917 5.359 410 HA PRO 57 HA PRO 57 1.869 -17.729 5.496 411 1HB PRO 57 1HB PRO 57 2.912 -18.318 3.040 412 2HB PRO 57 2HB PRO 57 1.240 -18.622 3.470 413 1HG PRO 57 1HG PRO 57 2.355 -16.487 1.755 414 2HG PRO 57 2HG PRO 57 0.703 -17.064 1.856 415 1HD PRO 57 1HD PRO 57 1.749 -14.645 2.989 416 2HD PRO 57 2HD PRO 57 0.127 -15.280 3.186 417 H PHE 58 H PHE 58 3.479 -17.749 6.936 418 HA PHE 58 HA PHE 58 5.489 -17.350 7.771 419 1HB PHE 58 1HB PHE 58 5.951 -19.179 6.115 420 2HB PHE 58 2HB PHE 58 6.143 -17.998 4.835 421 HD1 PHE 58 1HD PHE 58 7.553 -18.430 8.276 422 HD2 PHE 58 2HD PHE 58 8.321 -17.751 4.157 423 HE1 PHE 58 1HE PHE 58 10.014 -18.309 8.754 424 HE2 PHE 58 2HE PHE 58 10.782 -17.630 4.637 425 HZ PHE 58 HZ PHE 58 11.599 -17.910 6.929 426 H GLY 59 H GLY 59 4.287 -14.932 7.259 427 1HA GLY 59 1HA GLY 59 4.697 -12.748 6.928 428 2HA GLY 59 2HA GLY 59 6.386 -13.133 7.198 429 H GLU 60 H GLU 60 4.212 -11.824 4.988 430 HA GLU 60 HA GLU 60 6.192 -12.111 2.898 431 1HB GLU 60 1HB GLU 60 3.220 -12.482 2.342 432 2HB GLU 60 2HB GLU 60 4.531 -12.633 1.189 433 1HG GLU 60 1HG GLU 60 4.444 -14.376 3.680 434 2HG GLU 60 2HG GLU 60 3.536 -14.815 2.246 435 HE2 GLU 60 HE GLU 60 5.054 -14.322 0.279 436 H CYS 61 H CYS 61 4.179 -10.788 1.001 437 HA CYS 61 HA CYS 61 4.363 -8.126 2.210 438 1HB CYS 61 1HB CYS 61 4.574 -9.012 -0.668 439 2HB CYS 61 2HB CYS 61 4.306 -7.342 -0.207 440 H CYS 62 H CYS 62 2.336 -10.689 1.028 441 HA CYS 62 HA CYS 62 0.079 -8.830 0.845 442 1HB CYS 62 1HB CYS 62 -0.472 -11.488 -0.164 443 2HB CYS 62 2HB CYS 62 -0.696 -9.923 -0.922 444 HA PRO 63 HA PRO 63 -0.661 -11.061 4.649 445 1HB PRO 63 1HB PRO 63 -2.051 -9.076 5.913 446 2HB PRO 63 2HB PRO 63 -0.311 -9.249 6.025 447 1HG PRO 63 1HG PRO 63 -1.881 -7.286 4.471 448 2HG PRO 63 2HG PRO 63 -0.193 -7.220 4.935 449 1HD PRO 63 1HD PRO 63 -1.237 -7.872 2.344 450 2HD PRO 63 2HD PRO 63 0.444 -7.920 2.839 451 H ILE 64 H ILE 64 -1.947 -11.988 2.545 452 HA ILE 64 HA ILE 64 -4.684 -12.047 3.578 453 HB ILE 64 HB ILE 64 -5.674 -11.553 1.598 454 1HG1 ILE 64 1HG1 ILE 64 -3.145 -12.482 0.222 455 2HG1 ILE 64 2HG1 ILE 64 -4.721 -13.249 0.213 456 1HG2 ILE 64 1HG2 ILE 64 -3.231 -9.978 0.909 457 2HG2 ILE 64 2HG2 ILE 64 -4.938 -9.480 0.985 458 3HG2 ILE 64 3HG2 ILE 64 -4.008 -9.702 2.487 459 1HD1 ILE 64 1HD1 ILE 64 -5.308 -12.043 -1.607 460 2HD1 ILE 64 2HD1 ILE 64 -5.070 -10.535 -0.692 461 3HD1 ILE 64 3HD1 ILE 64 -3.712 -11.254 -1.590 462 H CYS 65 H CYS 65 -5.892 -13.968 2.344 463 HA CYS 65 HA CYS 65 -4.078 -16.224 2.643 464 1HB CYS 65 1HB CYS 65 -5.925 -16.500 4.032 465 2HB CYS 65 2HB CYS 65 -7.054 -15.890 2.839 466 HA PRO 66 HA PRO 66 -4.225 -16.415 -1.759 467 1HB PRO 66 1HB PRO 66 -2.337 -18.363 -2.084 468 2HB PRO 66 2HB PRO 66 -1.943 -16.662 -1.930 469 1HG PRO 66 1HG PRO 66 -1.647 -18.822 0.067 470 2HG PRO 66 2HG PRO 66 -0.887 -17.244 0.036 471 1HD PRO 66 1HD PRO 66 -3.092 -18.055 1.682 472 2HD PRO 66 2HD PRO 66 -2.407 -16.447 1.567 473 H ALA 67 H ALA 67 -4.518 -18.106 -3.533 474 HA ALA 67 HA ALA 67 -6.478 -19.982 -2.432 475 1HB ALA 67 1HB ALA 67 -6.125 -18.507 -5.025 476 2HB ALA 67 2HB ALA 67 -6.969 -20.075 -5.048 477 3HB ALA 67 3HB ALA 67 -7.589 -18.744 -4.041 478 H ASP 68 H ASP 68 -4.653 -21.361 -1.650 479 HA ASP 68 HA ASP 68 -4.005 -23.220 -3.726 480 1HB ASP 68 1HB ASP 68 -2.076 -21.281 -2.791 481 2HB ASP 68 2HB ASP 68 -1.581 -22.854 -2.198 482 HD2 ASP 68 HD ASP 68 0.120 -22.006 -4.894 483 H LEU 69 H LEU 69 -3.411 -22.105 -0.314 484 HA LEU 69 HA LEU 69 -3.000 -24.697 0.715 485 1HB LEU 69 1HB LEU 69 -3.186 -23.611 2.887 486 2HB LEU 69 2HB LEU 69 -2.102 -22.762 1.803 487 HG LEU 69 HG LEU 69 -4.329 -21.345 1.317 488 1HD1 LEU 69 1HD1 LEU 69 -5.395 -22.957 3.158 489 2HD1 LEU 69 2HD1 LEU 69 -4.732 -21.712 4.244 490 3HD1 LEU 69 3HD1 LEU 69 -5.886 -21.257 2.968 491 1HD2 LEU 69 1HD2 LEU 69 -3.480 -19.929 3.419 492 2HD2 LEU 69 2HD2 LEU 69 -2.116 -21.066 3.286 493 3HD2 LEU 69 3HD2 LEU 69 -2.562 -20.045 1.898 494 H ALA 70 H ALA 70 -5.860 -22.469 0.670 495 HA ALA 70 HA ALA 70 -7.498 -24.682 1.632 496 1HB ALA 70 1HB ALA 70 -7.553 -22.314 2.611 497 2HB ALA 70 2HB ALA 70 -8.335 -21.815 1.092 498 3HB ALA 70 3HB ALA 70 -9.122 -23.014 2.146 499 H ALA 71 H ALA 71 -9.526 -25.217 0.491 500 HA ALA 71 HA ALA 71 -9.481 -24.469 -2.341 501 1HB ALA 71 1HB ALA 71 -10.298 -27.144 -2.288 502 2HB ALA 71 2HB ALA 71 -8.723 -26.531 -2.846 503 3HB ALA 71 3HB ALA 71 -8.916 -27.091 -1.167 504 H ALA 72 H ALA 72 -11.267 -23.087 -2.059 505 HA ALA 72 HA ALA 72 -13.625 -24.213 -0.781 506 1HB ALA 72 1HB ALA 72 -14.252 -21.674 -1.718 507 2HB ALA 72 2HB ALA 72 -13.662 -22.063 -0.085 508 3HB ALA 72 3HB ALA 72 -12.516 -21.547 -1.346 509 H ALA 73 H ALA 73 -15.784 -23.539 -2.030 510 HA ALA 73 HA ALA 73 -15.529 -23.714 -4.890 511 1HB ALA 73 1HB ALA 73 -15.334 -26.105 -3.851 512 2HB ALA 73 2HB ALA 73 -17.078 -25.928 -3.536 513 3HB ALA 73 3HB ALA 73 -16.462 -25.843 -5.204 Start of MODEL 5 1 1H TYR 1 H TYR 1 -7.041 7.948 9.808 2 HA TYR 1 HA TYR 1 -6.935 6.888 7.125 3 1HB TYR 1 1HB TYR 1 -9.353 7.491 6.756 4 2HB TYR 1 2HB TYR 1 -9.222 6.274 8.010 5 HD1 TYR 1 1HD TYR 1 -10.397 9.571 7.187 6 HD2 TYR 1 2HD TYR 1 -9.315 7.034 10.458 7 HE1 TYR 1 1HE TYR 1 -11.692 11.066 8.784 8 HE2 TYR 1 2HE TYR 1 -10.614 8.538 12.043 9 HH TYR 1 HH TYR 1 -12.876 10.541 11.178 10 H VAL 2 H VAL 2 -6.292 8.469 5.720 11 HA VAL 2 HA VAL 2 -6.439 11.219 6.746 12 HB VAL 2 HB VAL 2 -4.420 9.826 4.984 13 1HG1 VAL 2 1HG1 VAL 2 -5.147 12.657 5.128 14 2HG1 VAL 2 2HG1 VAL 2 -3.433 12.366 5.510 15 3HG1 VAL 2 3HG1 VAL 2 -4.109 11.798 3.965 16 1HG2 VAL 2 1HG2 VAL 2 -4.381 9.629 7.561 17 2HG2 VAL 2 2HG2 VAL 2 -2.882 10.108 6.729 18 3HG2 VAL 2 3HG2 VAL 2 -3.881 11.337 7.541 19 H GLU 3 H GLU 3 -8.319 12.023 5.871 20 HA GLU 3 HA GLU 3 -8.692 11.525 3.027 21 1HB GLU 3 1HB GLU 3 -10.522 11.799 5.334 22 2HB GLU 3 2HB GLU 3 -11.024 12.745 3.948 23 1HG GLU 3 1HG GLU 3 -10.769 10.678 2.503 24 2HG GLU 3 2HG GLU 3 -10.399 9.755 3.947 25 HE2 GLU 3 HE GLU 3 -13.468 9.665 5.219 26 H PHE 4 H PHE 4 -7.533 13.121 1.961 27 HA PHE 4 HA PHE 4 -6.848 15.127 1.340 28 1HB PHE 4 1HB PHE 4 -9.686 15.720 2.365 29 2HB PHE 4 2HB PHE 4 -8.761 16.893 1.449 30 HD1 PHE 4 1HD PHE 4 -7.725 15.806 -0.820 31 HD2 PHE 4 2HD PHE 4 -11.238 14.514 1.178 32 HE1 PHE 4 1HE PHE 4 -8.575 14.805 -2.960 33 HE2 PHE 4 2HE PHE 4 -12.087 13.512 -0.961 34 HZ PHE 4 HZ PHE 4 -10.745 13.670 -3.004 35 H GLN 5 H GLN 5 -5.148 15.577 2.784 36 HA GLN 5 HA GLN 5 -5.920 16.973 5.209 37 1HB GLN 5 1HB GLN 5 -3.693 15.193 4.435 38 2HB GLN 5 2HB GLN 5 -3.153 16.616 5.302 39 1HG GLN 5 1HG GLN 5 -5.557 15.165 6.393 40 2HG GLN 5 2HG GLN 5 -3.997 14.387 6.576 41 1HE2 GLN 5 1HE2 GLN 5 -6.003 17.094 7.411 42 2HE2 GLN 5 2HE2 GLN 5 -5.040 17.743 8.696 43 H GLU 6 H GLU 6 -3.858 17.221 2.259 44 HA GLU 6 HA GLU 6 -4.190 20.029 2.281 45 1HB GLU 6 1HB GLU 6 -1.846 18.938 3.589 46 2HB GLU 6 2HB GLU 6 -1.339 19.793 2.146 47 1HG GLU 6 1HG GLU 6 -3.420 21.252 3.662 48 2HG GLU 6 2HG GLU 6 -1.972 20.965 4.608 49 HE2 GLU 6 HE GLU 6 -1.712 24.008 2.442 50 H ALA 7 H ALA 7 -3.098 21.035 0.303 51 HA ALA 7 HA ALA 7 -2.568 18.984 -1.731 52 1HB ALA 7 1HB ALA 7 -3.871 20.362 -3.325 53 2HB ALA 7 2HB ALA 7 -4.879 19.791 -1.973 54 3HB ALA 7 3HB ALA 7 -4.300 21.474 -2.004 55 H GLY 8 H GLY 8 -1.238 19.787 -3.552 56 1HA GLY 8 1HA GLY 8 0.121 21.478 -4.494 57 2HA GLY 8 2HA GLY 8 0.254 22.250 -2.927 58 H SER 9 H SER 9 1.086 19.198 -4.692 59 HA SER 9 HA SER 9 2.819 17.895 -4.607 60 1HB SER 9 1HB SER 9 4.095 20.360 -3.371 61 2HB SER 9 2HB SER 9 5.014 18.885 -3.598 62 HG SER 9 HG SER 9 5.350 19.629 -5.578 63 H CYS 10 H CYS 10 4.124 16.461 -3.126 64 HA CYS 10 HA CYS 10 2.942 16.508 -0.448 65 1HB CYS 10 1HB CYS 10 3.851 14.004 -0.618 66 2HB CYS 10 2HB CYS 10 2.243 14.487 -1.121 67 H VAL 11 H VAL 11 4.353 16.444 1.348 68 HA VAL 11 HA VAL 11 7.177 16.804 0.665 69 HB VAL 11 HB VAL 11 5.538 17.559 3.090 70 1HG1 VAL 11 1HG1 VAL 11 7.730 18.844 3.652 71 2HG1 VAL 11 2HG1 VAL 11 7.623 17.108 4.032 72 3HG1 VAL 11 3HG1 VAL 11 8.509 17.649 2.586 73 1HG2 VAL 11 1HG2 VAL 11 5.006 19.171 1.534 74 2HG2 VAL 11 2HG2 VAL 11 6.469 19.889 2.250 75 3HG2 VAL 11 3HG2 VAL 11 6.568 19.035 0.691 76 H GLN 12 H GLN 12 8.352 14.960 0.761 77 HA GLN 12 HA GLN 12 7.780 13.218 3.025 78 1HB GLN 12 1HB GLN 12 6.913 12.146 0.991 79 2HB GLN 12 2HB GLN 12 8.441 12.384 0.168 80 1HG GLN 12 1HG GLN 12 8.361 10.083 0.964 81 2HG GLN 12 2HG GLN 12 9.569 10.940 1.901 82 1HE2 GLN 12 1HE2 GLN 12 7.014 8.877 2.044 83 2HE2 GLN 12 2HE2 GLN 12 6.518 9.065 3.694 84 H ASP 13 H ASP 13 9.508 13.244 4.391 85 HA ASP 13 HA ASP 13 11.543 13.282 5.135 86 1HB ASP 13 1HB ASP 13 12.000 12.132 2.380 87 2HB ASP 13 2HB ASP 13 13.405 12.601 3.316 88 HD2 ASP 13 HD ASP 13 12.429 11.641 5.874 89 H GLY 14 H GLY 14 10.290 15.522 3.275 90 1HA GLY 14 1HA GLY 14 10.947 17.716 3.081 91 2HA GLY 14 2HA GLY 14 12.617 17.263 3.362 92 H GLN 15 H GLN 15 10.330 15.804 0.977 93 HA GLN 15 HA GLN 15 11.858 17.086 -1.128 94 1HB GLN 15 1HB GLN 15 11.773 14.181 -0.515 95 2HB GLN 15 2HB GLN 15 11.446 14.566 -2.192 96 1HG GLN 15 1HG GLN 15 13.591 15.309 -2.586 97 2HG GLN 15 2HG GLN 15 13.729 16.074 -1.015 98 1HE2 GLN 15 1HE2 GLN 15 15.836 15.198 -0.890 99 2HE2 GLN 15 2HE2 GLN 15 16.114 13.556 -0.415 100 H ARG 16 H ARG 16 10.565 17.818 -2.797 101 HA ARG 16 HA ARG 16 7.768 17.427 -2.446 102 1HB ARG 16 1HB ARG 16 7.613 19.033 -4.408 103 2HB ARG 16 2HB ARG 16 8.537 19.657 -3.056 104 1HG ARG 16 1HG ARG 16 10.391 18.221 -4.700 105 2HG ARG 16 2HG ARG 16 9.407 19.178 -5.790 106 1HD ARG 16 1HD ARG 16 10.001 21.239 -4.709 107 2HD ARG 16 2HD ARG 16 10.598 20.419 -3.280 108 HE ARG 16 HE ARG 16 12.015 20.723 -5.856 109 1HH1 ARG 16 2HH2 ARG 16 11.940 19.130 -2.692 110 2HH1 ARG 16 1HH2 ARG 16 13.620 18.713 -2.723 111 1HH2 ARG 16 1HH ARG 16 14.949 19.336 -4.618 112 H TYR 17 H TYR 17 6.621 15.782 -3.413 113 HA TYR 17 HA TYR 17 7.737 14.671 -5.900 114 1HB TYR 17 1HB TYR 17 6.491 13.544 -3.353 115 2HB TYR 17 2HB TYR 17 6.243 12.653 -4.841 116 HD1 TYR 17 1HD TYR 17 8.734 13.735 -2.354 117 HD2 TYR 17 2HD TYR 17 8.082 11.481 -5.932 118 HE1 TYR 17 1HE TYR 17 10.997 12.611 -2.068 119 HE2 TYR 17 2HE TYR 17 10.348 10.366 -5.633 120 HH TYR 17 HH TYR 17 12.148 10.699 -2.712 121 H ASN 18 H ASN 18 6.237 14.033 -7.537 122 HA ASN 18 HA ASN 18 3.944 15.666 -7.580 123 1HB ASN 18 1HB ASN 18 5.496 14.700 -9.539 124 2HB ASN 18 2HB ASN 18 4.374 13.353 -9.499 125 1HD2 ASN 18 1HD2 ASN 18 4.889 16.659 -10.313 126 2HD2 ASN 18 2HD2 ASN 18 3.375 16.986 -11.088 127 H ASP 19 H ASP 19 1.719 14.578 -8.287 128 HA ASP 19 HA ASP 19 1.023 12.795 -6.234 129 1HB ASP 19 1HB ASP 19 -0.759 13.133 -8.628 130 2HB ASP 19 2HB ASP 19 -1.176 13.164 -6.927 131 HD2 ASP 19 HD ASP 19 -0.442 15.816 -5.980 132 H LYS 20 H LYS 20 0.597 12.521 -9.852 133 HA LYS 20 HA LYS 20 0.142 9.821 -9.935 134 1HB LYS 20 1HB LYS 20 -0.250 11.358 -11.799 135 2HB LYS 20 2HB LYS 20 1.473 11.597 -12.002 136 1HG LYS 20 1HG LYS 20 1.134 8.782 -12.007 137 2HG LYS 20 2HG LYS 20 -0.214 9.393 -12.947 138 1HD LYS 20 1HD LYS 20 2.034 10.915 -13.795 139 2HD LYS 20 2HD LYS 20 2.620 9.269 -13.658 140 1HE LYS 20 1HE LYS 20 -0.052 9.506 -14.953 141 2HE LYS 20 2HE LYS 20 1.245 10.279 -15.841 142 1HZ LYS 20 1HZ LYS 20 2.470 8.199 -15.819 143 2HZ LYS 20 2HZ LYS 20 1.357 7.470 -14.880 144 H ASP 21 H ASP 21 3.097 11.549 -9.229 145 HA ASP 21 HA ASP 21 4.915 9.654 -10.090 146 1HB ASP 21 1HB ASP 21 4.864 11.939 -8.175 147 2HB ASP 21 2HB ASP 21 6.097 10.742 -7.836 148 HD2 ASP 21 HD ASP 21 7.592 10.733 -10.663 149 H VAL 22 H VAL 22 4.545 7.483 -9.464 150 HA VAL 22 HA VAL 22 3.931 6.989 -6.650 151 HB VAL 22 HB VAL 22 3.324 4.753 -7.412 152 1HG1 VAL 22 1HG1 VAL 22 1.410 5.995 -7.459 153 2HG1 VAL 22 2HG1 VAL 22 2.085 7.203 -8.579 154 3HG1 VAL 22 3HG1 VAL 22 1.527 5.630 -9.198 155 1HG2 VAL 22 1HG2 VAL 22 3.841 5.677 -10.251 156 2HG2 VAL 22 2HG2 VAL 22 5.012 4.724 -9.311 157 3HG2 VAL 22 3HG2 VAL 22 3.409 4.048 -9.682 158 H TRP 23 H TRP 23 5.319 5.863 -5.295 159 HA TRP 23 HA TRP 23 7.771 4.819 -6.496 160 1HB TRP 23 1HB TRP 23 9.204 5.970 -5.028 161 2HB TRP 23 2HB TRP 23 8.167 7.174 -5.767 162 HD1 TRP 23 HD TRP 23 8.871 5.552 -2.352 163 HE1 TRP 23 1HE TRP 23 7.757 6.919 -0.390 164 HE3 TRP 23 3HE TRP 23 6.212 8.689 -5.343 165 HZ2 TRP 23 2HZ TRP 23 5.930 9.110 -0.310 166 HZ3 TRP 23 3HZ TRP 23 4.789 10.414 -4.242 167 HH2 TRP 23 HH TRP 23 4.622 10.654 -1.816 168 H LYS 24 H LYS 24 8.599 3.015 -5.336 169 HA LYS 24 HA LYS 24 6.804 2.080 -3.210 170 1HB LYS 24 1HB LYS 24 6.695 0.668 -5.163 171 2HB LYS 24 2HB LYS 24 8.441 0.552 -5.250 172 1HG LYS 24 1HG LYS 24 7.123 -0.274 -2.669 173 2HG LYS 24 2HG LYS 24 6.938 -1.340 -4.047 174 1HD LYS 24 1HD LYS 24 9.705 -0.500 -3.918 175 2HD LYS 24 2HD LYS 24 9.224 -1.048 -2.325 176 1HE LYS 24 1HE LYS 24 9.784 -3.108 -3.217 177 2HE LYS 24 2HE LYS 24 8.116 -3.057 -3.754 178 1HZ LYS 24 1HZ LYS 24 9.152 -1.865 -5.815 179 2HZ LYS 24 2HZ LYS 24 10.545 -2.564 -5.339 180 HA PRO 25 HA PRO 25 10.488 2.843 -0.895 181 1HB PRO 25 1HB PRO 25 9.263 3.149 1.529 182 2HB PRO 25 2HB PRO 25 9.534 4.477 0.417 183 1HG PRO 25 1HG PRO 25 7.016 3.050 1.023 184 2HG PRO 25 2HG PRO 25 7.236 4.615 0.265 185 1HD PRO 25 1HD PRO 25 6.575 2.150 -1.045 186 2HD PRO 25 2HD PRO 25 6.909 3.688 -1.814 187 H GLU 26 H GLU 26 7.918 0.620 -0.071 188 HA GLU 26 HA GLU 26 10.036 -1.149 0.876 189 1HB GLU 26 1HB GLU 26 7.330 -0.531 2.055 190 2HB GLU 26 2HB GLU 26 7.976 -2.148 2.257 191 1HG GLU 26 1HG GLU 26 9.297 0.465 3.120 192 2HG GLU 26 2HG GLU 26 8.651 -0.779 4.172 193 HE2 GLU 26 HE GLU 26 9.879 -2.461 4.568 194 HA PRO 27 HA PRO 27 8.448 -3.974 -2.011 195 1HB PRO 27 1HB PRO 27 9.281 -6.363 -0.979 196 2HB PRO 27 2HB PRO 27 10.332 -5.291 -1.882 197 1HG PRO 27 1HG PRO 27 10.249 -5.785 1.032 198 2HG PRO 27 2HG PRO 27 11.531 -5.069 0.075 199 1HD PRO 27 1HD PRO 27 9.670 -3.683 1.762 200 2HD PRO 27 2HD PRO 27 10.877 -2.960 0.717 201 H CYS 28 H CYS 28 7.292 -3.861 1.126 202 HA CYS 28 HA CYS 28 5.067 -5.580 0.297 203 1HB CYS 28 1HB CYS 28 5.956 -5.110 3.144 204 2HB CYS 28 2HB CYS 28 4.725 -6.222 2.581 205 H ARG 29 H ARG 29 6.128 -2.447 0.672 206 HA ARG 29 HA ARG 29 3.435 -1.588 1.326 207 1HB ARG 29 1HB ARG 29 5.660 -1.190 3.005 208 2HB ARG 29 2HB ARG 29 5.525 0.335 2.153 209 1HG ARG 29 1HG ARG 29 4.078 0.707 3.954 210 2HG ARG 29 2HG ARG 29 2.951 0.147 2.736 211 1HD ARG 29 1HD ARG 29 3.321 -2.236 3.683 212 2HD ARG 29 2HD ARG 29 4.147 -1.471 5.026 213 HE ARG 29 HE ARG 29 1.471 -0.380 4.434 214 1HH1 ARG 29 2HH2 ARG 29 3.353 -2.682 6.360 215 2HH1 ARG 29 1HH2 ARG 29 2.142 -2.832 7.590 216 1HH2 ARG 29 1HH ARG 29 0.104 -1.586 7.390 217 H ILE 30 H ILE 30 2.620 -0.128 -0.177 218 HA ILE 30 HA ILE 30 4.582 1.026 -2.034 219 HB ILE 30 HB ILE 30 3.074 -0.717 -2.963 220 1HG1 ILE 30 1HG1 ILE 30 4.117 0.990 -4.381 221 2HG1 ILE 30 2HG1 ILE 30 2.545 0.509 -4.988 222 1HG2 ILE 30 1HG2 ILE 30 1.061 -0.452 -1.762 223 2HG2 ILE 30 2HG2 ILE 30 0.945 1.276 -2.175 224 3HG2 ILE 30 3HG2 ILE 30 0.698 0.041 -3.434 225 1HD1 ILE 30 1HD1 ILE 30 3.436 3.132 -3.918 226 2HD1 ILE 30 2HD1 ILE 30 2.148 2.759 -5.088 227 3HD1 ILE 30 3HD1 ILE 30 1.837 2.605 -3.342 228 H CYS 31 H CYS 31 4.699 3.218 -2.174 229 HA CYS 31 HA CYS 31 2.632 4.679 -0.701 230 1HB CYS 31 1HB CYS 31 5.558 4.890 -0.782 231 2HB CYS 31 2HB CYS 31 4.738 6.425 -0.988 232 H VAL 32 H VAL 32 1.528 6.335 -1.802 233 HA VAL 32 HA VAL 32 2.532 7.133 -4.410 234 HB VAL 32 HB VAL 32 1.199 5.291 -5.041 235 1HG1 VAL 32 1HG1 VAL 32 0.025 4.923 -2.922 236 2HG1 VAL 32 2HG1 VAL 32 -0.982 6.362 -3.214 237 3HG1 VAL 32 3HG1 VAL 32 -1.120 4.946 -4.285 238 1HG2 VAL 32 1HG2 VAL 32 -0.710 7.623 -5.322 239 2HG2 VAL 32 2HG2 VAL 32 0.829 7.536 -6.212 240 3HG2 VAL 32 3HG2 VAL 32 -0.412 6.284 -6.456 241 H CYS 33 H CYS 33 2.057 9.271 -4.881 242 HA CYS 33 HA CYS 33 0.795 10.710 -2.709 243 1HB CYS 33 1HB CYS 33 2.988 11.441 -3.559 244 2HB CYS 33 2HB CYS 33 2.285 11.725 -5.139 245 H ASP 34 H ASP 34 -1.401 11.022 -2.849 246 HA ASP 34 HA ASP 34 -2.485 11.276 -5.544 247 1HB ASP 34 1HB ASP 34 -3.328 9.296 -4.319 248 2HB ASP 34 2HB ASP 34 -3.790 10.301 -2.961 249 HD2 ASP 34 HD ASP 34 -6.409 9.128 -4.461 250 H THR 35 H THR 35 -3.214 13.363 -5.984 251 HA THR 35 HA THR 35 -3.913 15.454 -5.696 252 HB THR 35 HB THR 35 -5.239 14.432 -3.136 253 HG1 THR 35 1HG THR 35 -6.931 13.893 -4.837 254 1HG2 THR 35 1HG2 THR 35 -6.414 16.247 -5.274 255 2HG2 THR 35 2HG2 THR 35 -6.910 16.068 -3.574 256 3HG2 THR 35 3HG2 THR 35 -5.408 16.936 -3.977 257 H GLY 36 H GLY 36 -1.347 14.421 -4.411 258 1HA GLY 36 1HA GLY 36 0.340 15.776 -3.576 259 2HA GLY 36 2HA GLY 36 -0.847 16.870 -2.893 260 H THR 37 H THR 37 -1.937 13.750 -2.217 261 HA THR 37 HA THR 37 -0.682 13.854 0.443 262 HB THR 37 HB THR 37 -3.341 12.699 -0.550 263 HG1 THR 37 1HG THR 37 -4.032 14.685 0.193 264 1HG2 THR 37 1HG2 THR 37 -1.885 12.593 2.102 265 2HG2 THR 37 2HG2 THR 37 -3.646 12.854 2.116 266 3HG2 THR 37 3HG2 THR 37 -2.970 11.387 1.368 267 H VAL 38 H VAL 38 0.878 12.435 0.862 268 HA VAL 38 HA VAL 38 1.070 10.103 -0.868 269 HB VAL 38 HB VAL 38 3.076 11.290 -0.727 270 1HG1 VAL 38 1HG1 VAL 38 2.865 12.828 0.999 271 2HG1 VAL 38 2HG1 VAL 38 2.420 11.587 2.194 272 3HG1 VAL 38 3HG1 VAL 38 4.105 11.723 1.639 273 1HG2 VAL 38 1HG2 VAL 38 3.781 9.105 -0.596 274 2HG2 VAL 38 2HG2 VAL 38 4.508 9.758 0.892 275 3HG2 VAL 38 3HG2 VAL 38 2.994 8.826 0.975 276 H LEU 39 H LEU 39 0.392 8.117 -0.240 277 HA LEU 39 HA LEU 39 0.213 7.619 2.638 278 1HB LEU 39 1HB LEU 39 -1.974 7.251 2.658 279 2HB LEU 39 2HB LEU 39 -1.996 8.245 1.216 280 HG LEU 39 HG LEU 39 -1.627 5.922 -0.006 281 1HD1 LEU 39 1HD1 LEU 39 -1.610 4.933 2.490 282 2HD1 LEU 39 2HD1 LEU 39 -3.354 4.829 2.150 283 3HD1 LEU 39 3HD1 LEU 39 -2.187 4.016 1.078 284 1HD2 LEU 39 1HD2 LEU 39 -4.053 7.362 0.897 285 2HD2 LEU 39 2HD2 LEU 39 -3.508 6.926 -0.740 286 3HD2 LEU 39 3HD2 LEU 39 -4.301 5.708 0.287 287 H CYS 40 H CYS 40 0.360 5.339 3.208 288 HA CYS 40 HA CYS 40 1.555 3.784 1.028 289 1HB CYS 40 1HB CYS 40 2.571 4.459 3.661 290 2HB CYS 40 2HB CYS 40 2.472 2.722 3.451 291 H ASP 41 H ASP 41 0.541 1.831 0.610 292 HA ASP 41 HA ASP 41 -1.423 1.000 2.600 293 1HB ASP 41 1HB ASP 41 -1.446 1.112 -0.399 294 2HB ASP 41 2HB ASP 41 -2.227 -0.281 0.323 295 HD2 ASP 41 HD ASP 41 -4.827 1.618 1.688 296 H ASP 42 H ASP 42 -1.892 -1.529 2.317 297 HA ASP 42 HA ASP 42 0.655 -2.794 2.484 298 1HB ASP 42 1HB ASP 42 -0.892 -3.565 4.099 299 2HB ASP 42 2HB ASP 42 -2.222 -3.592 2.959 300 HD2 ASP 42 HD ASP 42 0.901 -5.050 2.872 301 H ILE 43 H ILE 43 1.564 -4.136 0.877 302 HA ILE 43 HA ILE 43 0.357 -4.104 -1.698 303 HB ILE 43 HB ILE 43 2.855 -5.275 -0.514 304 1HG1 ILE 43 1HG1 ILE 43 2.380 -3.179 -2.655 305 2HG1 ILE 43 2HG1 ILE 43 2.739 -2.844 -0.973 306 1HG2 ILE 43 1HG2 ILE 43 2.881 -6.869 -2.067 307 2HG2 ILE 43 2HG2 ILE 43 1.473 -6.184 -2.913 308 3HG2 ILE 43 3HG2 ILE 43 3.108 -5.570 -3.262 309 1HD1 ILE 43 1HD1 ILE 43 4.959 -3.178 -1.295 310 2HD1 ILE 43 2HD1 ILE 43 4.669 -4.749 -2.080 311 3HD1 ILE 43 3HD1 ILE 43 4.610 -3.251 -3.039 312 H ILE 44 H ILE 44 -1.391 -5.319 -2.186 313 HA ILE 44 HA ILE 44 -1.595 -7.938 -0.901 314 HB ILE 44 HB ILE 44 -3.967 -7.792 -1.771 315 1HG1 ILE 44 1HG1 ILE 44 -3.346 -4.846 -2.091 316 2HG1 ILE 44 2HG1 ILE 44 -3.396 -5.962 -3.442 317 1HG2 ILE 44 1HG2 ILE 44 -4.357 -5.786 0.022 318 2HG2 ILE 44 2HG2 ILE 44 -4.044 -7.485 0.452 319 3HG2 ILE 44 3HG2 ILE 44 -2.710 -6.307 0.447 320 1HD1 ILE 44 1HD1 ILE 44 -5.575 -4.653 -2.830 321 2HD1 ILE 44 2HD1 ILE 44 -5.712 -6.392 -3.180 322 3HD1 ILE 44 3HD1 ILE 44 -5.718 -5.821 -1.494 323 H CYS 45 H CYS 45 -0.613 -9.519 -2.054 324 HA CYS 45 HA CYS 45 -0.923 -9.375 -4.964 325 1HB CYS 45 1HB CYS 45 1.061 -11.182 -4.623 326 2HB CYS 45 2HB CYS 45 1.303 -9.473 -4.929 327 H GLU 46 H GLU 46 -2.579 -10.720 -5.595 328 HA GLU 46 HA GLU 46 -3.572 -12.714 -3.929 329 1HB GLU 46 1HB GLU 46 -4.528 -11.385 -6.093 330 2HB GLU 46 2HB GLU 46 -4.070 -12.881 -6.882 331 1HG GLU 46 1HG GLU 46 -5.360 -14.107 -5.000 332 2HG GLU 46 2HG GLU 46 -6.000 -12.539 -4.548 333 HE2 GLU 46 HE GLU 46 -6.637 -13.726 -8.295 334 H ASP 47 H ASP 47 -3.454 -15.034 -4.077 335 HA ASP 47 HA ASP 47 -1.603 -16.112 -5.983 336 1HB ASP 47 1HB ASP 47 -1.092 -15.961 -3.011 337 2HB ASP 47 2HB ASP 47 -0.586 -17.411 -3.855 338 HD2 ASP 47 HD ASP 47 2.288 -15.540 -3.824 339 H VAL 48 H VAL 48 -3.492 -17.303 -6.727 340 HA VAL 48 HA VAL 48 -4.879 -19.022 -6.804 341 HB VAL 48 HB VAL 48 -3.420 -19.964 -4.327 342 1HG1 VAL 48 1HG1 VAL 48 -5.187 -21.402 -4.301 343 2HG1 VAL 48 2HG1 VAL 48 -5.545 -21.174 -6.029 344 3HG1 VAL 48 3HG1 VAL 48 -4.206 -22.235 -5.531 345 1HG2 VAL 48 1HG2 VAL 48 -2.905 -20.431 -7.279 346 2HG2 VAL 48 2HG2 VAL 48 -1.828 -19.660 -6.089 347 3HG2 VAL 48 3HG2 VAL 48 -2.174 -21.403 -5.979 348 H LYS 49 H LYS 49 -6.964 -19.672 -6.002 349 HA LYS 49 HA LYS 49 -7.835 -17.981 -3.768 350 1HB LYS 49 1HB LYS 49 -8.901 -18.479 -6.422 351 2HB LYS 49 2HB LYS 49 -10.083 -18.886 -5.193 352 1HG LYS 49 1HG LYS 49 -9.965 -16.679 -4.207 353 2HG LYS 49 2HG LYS 49 -8.522 -16.270 -5.114 354 1HD LYS 49 1HD LYS 49 -9.704 -15.728 -7.008 355 2HD LYS 49 2HD LYS 49 -10.811 -17.074 -6.827 356 1HE LYS 49 1HE LYS 49 -11.872 -15.752 -4.866 357 2HE LYS 49 2HE LYS 49 -10.928 -14.379 -5.407 358 1HZ LYS 49 1HZ LYS 49 -13.358 -15.121 -6.415 359 2HZ LYS 49 2HZ LYS 49 -12.339 -14.065 -7.121 360 H ASP 50 H ASP 50 -7.167 -21.203 -4.797 361 HA ASP 50 HA ASP 50 -9.012 -22.773 -3.763 362 1HB ASP 50 1HB ASP 50 -6.381 -23.084 -4.503 363 2HB ASP 50 2HB ASP 50 -6.256 -23.408 -2.785 364 HD2 ASP 50 HD ASP 50 -5.804 -25.481 -3.105 365 H CYS 51 H CYS 51 -6.329 -21.171 -1.890 366 HA CYS 51 HA CYS 51 -7.223 -22.133 0.602 367 1HB CYS 51 1HB CYS 51 -4.950 -20.885 -0.361 368 2HB CYS 51 2HB CYS 51 -5.660 -19.661 0.672 369 H LEU 52 H LEU 52 -8.112 -20.722 2.376 370 HA LEU 52 HA LEU 52 -9.733 -18.535 1.273 371 1HB LEU 52 1HB LEU 52 -10.509 -20.942 2.768 372 2HB LEU 52 2HB LEU 52 -11.160 -19.452 3.423 373 HG LEU 52 HG LEU 52 -11.483 -19.532 0.537 374 1HD1 LEU 52 1HD1 LEU 52 -11.456 -21.990 0.963 375 2HD1 LEU 52 2HD1 LEU 52 -12.852 -21.771 2.046 376 3HD1 LEU 52 3HD1 LEU 52 -12.998 -21.377 0.317 377 1HD2 LEU 52 1HD2 LEU 52 -13.836 -19.659 2.327 378 2HD2 LEU 52 2HD2 LEU 52 -12.705 -18.315 2.618 379 3HD2 LEU 52 3HD2 LEU 52 -13.442 -18.526 1.012 380 H SER 53 H SER 53 -8.144 -19.969 4.189 381 HA SER 53 HA SER 53 -8.326 -17.458 5.533 382 1HB SER 53 1HB SER 53 -8.526 -19.382 6.934 383 2HB SER 53 2HB SER 53 -7.135 -20.165 6.211 384 HG SER 53 HG SER 53 -7.252 -18.297 8.286 385 HA PRO 54 HA PRO 54 -4.491 -16.154 3.833 386 1HB PRO 54 1HB PRO 54 -4.447 -13.648 4.924 387 2HB PRO 54 2HB PRO 54 -5.285 -14.030 3.433 388 1HG PRO 54 1HG PRO 54 -6.415 -13.536 6.120 389 2HG PRO 54 2HG PRO 54 -7.222 -13.497 4.565 390 1HD PRO 54 1HD PRO 54 -7.367 -15.590 6.521 391 2HD PRO 54 2HD PRO 54 -8.079 -15.601 4.920 392 H GLU 55 H GLU 55 -2.311 -16.033 4.352 393 HA GLU 55 HA GLU 55 -1.701 -15.729 7.118 394 1HB GLU 55 1HB GLU 55 -1.965 -18.402 5.940 395 2HB GLU 55 2HB GLU 55 -0.346 -18.138 6.555 396 1HG GLU 55 1HG GLU 55 -2.339 -17.094 8.431 397 2HG GLU 55 2HG GLU 55 -2.667 -18.774 8.061 398 HE2 GLU 55 HE GLU 55 -0.483 -20.178 9.660 399 H ILE 56 H ILE 56 0.135 -14.509 7.158 400 HA ILE 56 HA ILE 56 1.776 -14.499 4.752 401 HB ILE 56 HB ILE 56 0.758 -12.480 6.216 402 1HG1 ILE 56 1HG1 ILE 56 3.361 -12.441 4.661 403 2HG1 ILE 56 2HG1 ILE 56 1.753 -12.346 3.972 404 1HG2 ILE 56 1HG2 ILE 56 2.030 -12.923 8.210 405 2HG2 ILE 56 2HG2 ILE 56 3.554 -12.938 7.288 406 3HG2 ILE 56 3HG2 ILE 56 2.632 -11.425 7.461 407 1HD1 ILE 56 1HD1 ILE 56 1.345 -10.267 5.384 408 2HD1 ILE 56 2HD1 ILE 56 3.061 -10.331 5.851 409 3HD1 ILE 56 3HD1 ILE 56 2.611 -10.084 4.147 410 HA PRO 57 HA PRO 57 4.628 -17.029 6.868 411 1HB PRO 57 1HB PRO 57 6.388 -17.368 4.805 412 2HB PRO 57 2HB PRO 57 4.957 -18.357 5.016 413 1HG PRO 57 1HG PRO 57 5.436 -16.184 3.073 414 2HG PRO 57 2HG PRO 57 4.219 -17.444 3.032 415 1HD PRO 57 1HD PRO 57 3.820 -14.696 3.752 416 2HD PRO 57 2HD PRO 57 2.630 -15.981 3.822 417 H PHE 58 H PHE 58 5.967 -16.408 8.430 418 HA PHE 58 HA PHE 58 7.255 -14.919 9.497 419 1HB PHE 58 1HB PHE 58 8.661 -16.608 8.013 420 2HB PHE 58 2HB PHE 58 8.965 -15.234 6.971 421 HD1 PHE 58 1HD PHE 58 9.538 -16.617 10.336 422 HD2 PHE 58 2HD PHE 58 10.526 -13.534 7.592 423 HE1 PHE 58 1HE PHE 58 11.471 -15.943 11.789 424 HE2 PHE 58 2HE PHE 58 12.459 -12.860 9.046 425 HZ PHE 58 HZ PHE 58 12.907 -14.073 11.127 426 H GLY 59 H GLY 59 5.289 -13.483 8.007 427 1HA GLY 59 1HA GLY 59 4.836 -11.411 7.269 428 2HA GLY 59 2HA GLY 59 6.336 -10.909 8.022 429 H GLU 60 H GLU 60 4.677 -11.100 5.093 430 HA GLU 60 HA GLU 60 7.186 -10.739 3.674 431 1HB GLU 60 1HB GLU 60 4.841 -12.349 2.576 432 2HB GLU 60 2HB GLU 60 6.367 -12.056 1.766 433 1HG GLU 60 1HG GLU 60 6.972 -13.139 4.365 434 2HG GLU 60 2HG GLU 60 5.712 -14.136 3.666 435 HE2 GLU 60 HE GLU 60 8.846 -13.425 1.347 436 H CYS 61 H CYS 61 5.214 -10.707 1.179 437 HA CYS 61 HA CYS 61 4.197 -8.013 1.728 438 1HB CYS 61 1HB CYS 61 5.241 -8.982 -0.937 439 2HB CYS 61 2HB CYS 61 4.718 -7.360 -0.523 440 H CYS 62 H CYS 62 3.398 -11.202 1.346 441 HA CYS 62 HA CYS 62 0.937 -10.515 -0.090 442 1HB CYS 62 1HB CYS 62 2.440 -13.139 -0.159 443 2HB CYS 62 2HB CYS 62 0.857 -12.868 -0.859 444 HA PRO 63 HA PRO 63 -0.149 -11.809 4.080 445 1HB PRO 63 1HB PRO 63 -2.188 -10.028 4.453 446 2HB PRO 63 2HB PRO 63 -0.531 -9.698 4.918 447 1HG PRO 63 1HG PRO 63 -2.052 -8.647 2.612 448 2HG PRO 63 2HG PRO 63 -0.579 -8.026 3.330 449 1HD PRO 63 1HD PRO 63 -0.803 -9.523 0.893 450 2HD PRO 63 2HD PRO 63 0.679 -9.002 1.671 451 H ILE 64 H ILE 64 -0.656 -13.533 2.173 452 HA ILE 64 HA ILE 64 -3.397 -14.221 2.804 453 HB ILE 64 HB ILE 64 -4.204 -14.343 0.640 454 1HG1 ILE 64 1HG1 ILE 64 -1.324 -14.262 -0.223 455 2HG1 ILE 64 2HG1 ILE 64 -2.557 -15.453 -0.587 456 1HG2 ILE 64 1HG2 ILE 64 -3.993 -12.118 -0.278 457 2HG2 ILE 64 2HG2 ILE 64 -4.029 -12.030 1.499 458 3HG2 ILE 64 3HG2 ILE 64 -2.486 -11.848 0.630 459 1HD1 ILE 64 1HD1 ILE 64 -2.577 -12.571 -1.596 460 2HD1 ILE 64 2HD1 ILE 64 -2.067 -13.987 -2.545 461 3HD1 ILE 64 3HD1 ILE 64 -3.759 -13.835 -2.015 462 H CYS 65 H CYS 65 -3.809 -16.497 1.542 463 HA CYS 65 HA CYS 65 -1.509 -18.085 2.346 464 1HB CYS 65 1HB CYS 65 -3.496 -18.758 3.433 465 2HB CYS 65 2HB CYS 65 -4.426 -18.722 1.948 466 HA PRO 66 HA PRO 66 -0.790 -18.530 -1.978 467 1HB PRO 66 1HB PRO 66 1.599 -19.847 -1.800 468 2HB PRO 66 2HB PRO 66 1.461 -18.101 -1.754 469 1HG PRO 66 1HG PRO 66 1.983 -19.977 0.469 470 2HG PRO 66 2HG PRO 66 2.260 -18.248 0.404 471 1HD PRO 66 1HD PRO 66 0.111 -19.594 1.745 472 2HD PRO 66 2HD PRO 66 0.323 -17.862 1.582 473 H ALA 67 H ALA 67 -2.574 -19.792 -2.514 474 HA ALA 67 HA ALA 67 -3.498 -21.658 -3.268 475 1HB ALA 67 1HB ALA 67 -2.126 -23.455 -4.042 476 2HB ALA 67 2HB ALA 67 -1.161 -21.974 -4.255 477 3HB ALA 67 3HB ALA 67 -0.832 -23.061 -2.885 478 H ASP 68 H ASP 68 -1.067 -22.922 -0.875 479 HA ASP 68 HA ASP 68 -2.891 -23.167 1.177 480 1HB ASP 68 1HB ASP 68 -3.159 -25.676 1.192 481 2HB ASP 68 2HB ASP 68 -4.024 -24.884 -0.111 482 HD2 ASP 68 HD ASP 68 -2.415 -27.928 -0.685 483 H LEU 69 H LEU 69 -0.407 -22.199 1.296 484 HA LEU 69 HA LEU 69 1.628 -22.371 2.137 485 1HB LEU 69 1HB LEU 69 0.066 -24.407 3.634 486 2HB LEU 69 2HB LEU 69 1.807 -24.436 3.826 487 HG LEU 69 HG LEU 69 0.938 -21.723 4.099 488 1HD1 LEU 69 1HD1 LEU 69 -1.278 -22.499 4.608 489 2HD1 LEU 69 2HD1 LEU 69 -0.645 -23.700 5.759 490 3HD1 LEU 69 3HD1 LEU 69 -0.498 -21.962 6.115 491 1HD2 LEU 69 1HD2 LEU 69 1.940 -21.952 6.333 492 2HD2 LEU 69 2HD2 LEU 69 2.024 -23.716 6.107 493 3HD2 LEU 69 3HD2 LEU 69 2.975 -22.638 5.057 494 H ALA 70 H ALA 70 3.565 -24.118 2.552 495 HA ALA 70 HA ALA 70 3.693 -25.572 0.010 496 1HB ALA 70 1HB ALA 70 5.403 -23.899 0.209 497 2HB ALA 70 2HB ALA 70 5.797 -24.408 1.869 498 3HB ALA 70 3HB ALA 70 6.188 -25.471 0.496 499 H ALA 71 H ALA 71 2.150 -27.069 1.437 500 HA ALA 71 HA ALA 71 3.611 -29.377 1.982 501 1HB ALA 71 1HB ALA 71 3.704 -27.530 4.117 502 2HB ALA 71 2HB ALA 71 2.507 -28.756 4.596 503 3HB ALA 71 3HB ALA 71 4.160 -29.251 4.158 504 H ALA 72 H ALA 72 2.031 -30.995 3.284 505 HA ALA 72 HA ALA 72 -0.736 -30.358 3.089 506 1HB ALA 72 1HB ALA 72 -1.193 -32.127 1.332 507 2HB ALA 72 2HB ALA 72 -0.406 -30.651 0.723 508 3HB ALA 72 3HB ALA 72 0.552 -32.130 0.980 509 H ALA 73 H ALA 73 1.508 -33.209 2.770 510 HA ALA 73 HA ALA 73 0.936 -34.056 5.419 511 1HB ALA 73 1HB ALA 73 0.024 -36.192 3.625 512 2HB ALA 73 2HB ALA 73 -0.723 -35.554 5.110 513 3HB ALA 73 3HB ALA 73 -1.013 -34.746 3.551 Start of MODEL 6 1 1H TYR 1 H TYR 1 -0.848 32.107 -13.348 2 HA TYR 1 HA TYR 1 -2.066 29.669 -12.304 3 1HB TYR 1 1HB TYR 1 -0.279 31.962 -11.336 4 2HB TYR 1 2HB TYR 1 -1.055 30.926 -10.155 5 HD1 TYR 1 1HD TYR 1 0.673 30.249 -13.425 6 HD2 TYR 1 2HD TYR 1 0.477 29.458 -9.226 7 HE1 TYR 1 1HE TYR 1 2.569 28.569 -13.646 8 HE2 TYR 1 2HE TYR 1 2.374 27.781 -9.460 9 HH TYR 1 HH TYR 1 3.922 26.992 -10.781 10 H VAL 2 H VAL 2 -4.036 29.634 -11.319 11 HA VAL 2 HA VAL 2 -5.125 32.192 -10.414 12 HB VAL 2 HB VAL 2 -6.402 30.225 -12.310 13 1HG1 VAL 2 1HG1 VAL 2 -8.323 32.120 -11.946 14 2HG1 VAL 2 2HG1 VAL 2 -8.295 30.546 -11.116 15 3HG1 VAL 2 3HG1 VAL 2 -7.660 31.995 -10.299 16 1HG2 VAL 2 1HG2 VAL 2 -6.250 33.236 -12.550 17 2HG2 VAL 2 2HG2 VAL 2 -4.944 32.171 -13.127 18 3HG2 VAL 2 3HG2 VAL 2 -6.579 32.030 -13.818 19 H GLU 3 H GLU 3 -6.604 32.004 -8.645 20 HA GLU 3 HA GLU 3 -7.470 31.125 -6.855 21 1HB GLU 3 1HB GLU 3 -8.044 29.209 -8.760 22 2HB GLU 3 2HB GLU 3 -7.193 28.251 -7.565 23 1HG GLU 3 1HG GLU 3 -8.788 28.659 -5.885 24 2HG GLU 3 2HG GLU 3 -9.309 30.174 -6.596 25 HE2 GLU 3 HE GLU 3 -11.398 28.575 -6.124 26 H PHE 4 H PHE 4 -6.936 29.609 -4.899 27 HA PHE 4 HA PHE 4 -4.125 29.856 -4.452 28 1HB PHE 4 1HB PHE 4 -6.135 30.220 -2.830 29 2HB PHE 4 2HB PHE 4 -6.330 28.480 -2.808 30 HD1 PHE 4 1HD PHE 4 -3.828 31.141 -2.101 31 HD2 PHE 4 2HD PHE 4 -5.149 27.196 -1.265 32 HE1 PHE 4 1HE PHE 4 -2.156 30.977 -0.235 33 HE2 PHE 4 2HE PHE 4 -3.477 27.032 0.601 34 HZ PHE 4 HZ PHE 4 -2.001 28.924 1.093 35 H GLN 5 H GLN 5 -6.504 27.112 -4.577 36 HA GLN 5 HA GLN 5 -6.255 25.005 -5.040 37 1HB GLN 5 1HB GLN 5 -3.936 26.199 -6.447 38 2HB GLN 5 2HB GLN 5 -3.724 24.501 -6.068 39 1HG GLN 5 1HG GLN 5 -6.318 25.472 -7.312 40 2HG GLN 5 2HG GLN 5 -4.915 25.179 -8.320 41 1HE2 GLN 5 1HE2 GLN 5 -7.405 23.810 -6.361 42 2HE2 GLN 5 2HE2 GLN 5 -7.128 22.136 -6.709 43 H GLU 6 H GLU 6 -5.880 23.275 -3.679 44 HA GLU 6 HA GLU 6 -3.881 23.749 -1.634 45 1HB GLU 6 1HB GLU 6 -6.549 22.808 -1.563 46 2HB GLU 6 2HB GLU 6 -5.569 21.398 -1.214 47 1HG GLU 6 1HG GLU 6 -4.304 23.305 0.335 48 2HG GLU 6 2HG GLU 6 -5.959 23.879 0.393 49 HE2 GLU 6 HE GLU 6 -5.953 21.605 3.082 50 H ALA 7 H ALA 7 -3.009 21.432 -0.722 51 HA ALA 7 HA ALA 7 -1.659 19.717 -1.081 52 1HB ALA 7 1HB ALA 7 -3.580 19.445 -3.393 53 2HB ALA 7 2HB ALA 7 -2.179 18.354 -3.266 54 3HB ALA 7 3HB ALA 7 -3.386 18.409 -1.958 55 H GLY 8 H GLY 8 0.270 20.908 -1.214 56 1HA GLY 8 1HA GLY 8 1.115 21.681 -3.937 57 2HA GLY 8 2HA GLY 8 1.682 22.403 -2.445 58 H SER 9 H SER 9 1.684 19.370 -4.390 59 HA SER 9 HA SER 9 3.151 17.789 -4.621 60 1HB SER 9 1HB SER 9 4.977 19.892 -3.415 61 2HB SER 9 2HB SER 9 5.590 18.297 -3.805 62 HG SER 9 HG SER 9 4.088 19.682 -5.803 63 H CYS 10 H CYS 10 4.633 16.173 -3.330 64 HA CYS 10 HA CYS 10 3.621 16.093 -0.580 65 1HB CYS 10 1HB CYS 10 3.774 14.049 -2.698 66 2HB CYS 10 2HB CYS 10 4.347 13.516 -1.131 67 H VAL 11 H VAL 11 5.167 15.903 1.060 68 HA VAL 11 HA VAL 11 7.947 15.927 0.146 69 HB VAL 11 HB VAL 11 6.837 17.763 1.581 70 1HG1 VAL 11 1HG1 VAL 11 6.635 17.438 3.905 71 2HG1 VAL 11 2HG1 VAL 11 5.873 16.002 3.182 72 3HG1 VAL 11 3HG1 VAL 11 7.517 15.893 3.857 73 1HG2 VAL 11 1HG2 VAL 11 8.915 18.382 2.379 74 2HG2 VAL 11 2HG2 VAL 11 9.351 16.721 2.850 75 3HG2 VAL 11 3HG2 VAL 11 9.366 17.192 1.133 76 H GLN 12 H GLN 12 8.913 13.965 0.125 77 HA GLN 12 HA GLN 12 8.146 12.150 2.278 78 1HB GLN 12 1HB GLN 12 7.791 11.650 -0.357 79 2HB GLN 12 2HB GLN 12 9.447 11.096 -0.214 80 1HG GLN 12 1HG GLN 12 7.134 10.161 1.549 81 2HG GLN 12 2HG GLN 12 7.786 9.263 0.192 82 1HE2 GLN 12 1HE2 GLN 12 7.644 8.371 2.866 83 2HE2 GLN 12 2HE2 GLN 12 9.247 8.100 3.462 84 H ASP 13 H ASP 13 9.707 12.472 3.845 85 HA ASP 13 HA ASP 13 11.642 12.354 4.821 86 1HB ASP 13 1HB ASP 13 12.082 10.763 2.382 87 2HB ASP 13 2HB ASP 13 13.566 11.517 2.930 88 HD2 ASP 13 HD ASP 13 13.840 8.642 3.702 89 H GLY 14 H GLY 14 10.786 14.487 2.587 90 1HA GLY 14 1HA GLY 14 11.700 16.661 2.546 91 2HA GLY 14 2HA GLY 14 13.309 15.995 2.734 92 H GLN 15 H GLN 15 10.967 14.475 0.529 93 HA GLN 15 HA GLN 15 12.542 15.561 -1.676 94 1HB GLN 15 1HB GLN 15 11.432 12.787 -1.187 95 2HB GLN 15 2HB GLN 15 11.713 13.334 -2.828 96 1HG GLN 15 1HG GLN 15 13.969 13.100 -2.629 97 2HG GLN 15 2HG GLN 15 14.004 13.968 -1.107 98 1HE2 GLN 15 1HE2 GLN 15 15.422 12.601 -0.122 99 2HE2 GLN 15 2HE2 GLN 15 15.038 10.986 0.374 100 H ARG 16 H ARG 16 11.425 16.709 -3.211 101 HA ARG 16 HA ARG 16 8.619 16.968 -2.807 102 1HB ARG 16 1HB ARG 16 8.887 18.608 -4.807 103 2HB ARG 16 2HB ARG 16 9.732 19.017 -3.326 104 1HG ARG 16 1HG ARG 16 11.846 18.375 -4.195 105 2HG ARG 16 2HG ARG 16 11.142 17.355 -5.432 106 1HD ARG 16 1HD ARG 16 10.143 20.016 -5.872 107 2HD ARG 16 2HD ARG 16 11.869 20.156 -5.605 108 HE ARG 16 HE ARG 16 12.281 18.883 -7.567 109 1HH1 ARG 16 2HH2 ARG 16 8.815 18.964 -6.844 110 2HH1 ARG 16 1HH2 ARG 16 8.350 18.339 -8.392 111 1HH2 ARG 16 1HH ARG 16 10.047 17.814 -10.001 112 H TYR 17 H TYR 17 7.052 15.822 -3.911 113 HA TYR 17 HA TYR 17 7.820 14.661 -6.498 114 1HB TYR 17 1HB TYR 17 6.456 13.516 -4.000 115 2HB TYR 17 2HB TYR 17 6.174 12.774 -5.562 116 HD1 TYR 17 1HD TYR 17 8.628 12.534 -6.912 117 HD2 TYR 17 2HD TYR 17 7.957 12.342 -2.691 118 HE1 TYR 17 1HE TYR 17 10.745 11.154 -6.631 119 HE2 TYR 17 2HE TYR 17 10.075 10.962 -2.424 120 HH TYR 17 HH TYR 17 12.311 10.574 -5.025 121 H ASN 18 H ASN 18 5.907 14.092 -7.872 122 HA ASN 18 HA ASN 18 4.248 16.233 -8.143 123 1HB ASN 18 1HB ASN 18 4.084 13.340 -9.072 124 2HB ASN 18 2HB ASN 18 2.778 14.445 -9.451 125 1HD2 ASN 18 1HD2 ASN 18 3.091 14.540 -11.608 126 2HD2 ASN 18 2HD2 ASN 18 4.467 15.255 -12.381 127 H ASP 19 H ASP 19 1.587 15.496 -8.338 128 HA ASP 19 HA ASP 19 0.870 15.283 -5.601 129 1HB ASP 19 1HB ASP 19 -0.237 16.491 -7.816 130 2HB ASP 19 2HB ASP 19 -1.235 15.054 -7.711 131 HD2 ASP 19 HD ASP 19 -3.263 16.732 -5.616 132 H LYS 20 H LYS 20 -0.054 13.503 -8.656 133 HA LYS 20 HA LYS 20 -1.008 11.271 -7.107 134 1HB LYS 20 1HB LYS 20 -1.752 10.386 -9.218 135 2HB LYS 20 2HB LYS 20 -2.194 12.079 -9.121 136 1HG LYS 20 1HG LYS 20 0.481 11.750 -10.290 137 2HG LYS 20 2HG LYS 20 -0.715 10.832 -11.184 138 1HD LYS 20 1HD LYS 20 -2.165 13.018 -11.089 139 2HD LYS 20 2HD LYS 20 -0.675 13.822 -10.634 140 1HE LYS 20 1HE LYS 20 0.394 13.279 -12.708 141 2HE LYS 20 2HE LYS 20 -0.772 12.027 -13.086 142 1HZ LYS 20 1HZ LYS 20 -2.246 14.352 -12.808 143 2HZ LYS 20 2HZ LYS 20 -0.935 14.804 -13.663 144 H ASP 21 H ASP 21 2.023 12.390 -7.907 145 HA ASP 21 HA ASP 21 3.449 10.544 -9.091 146 1HB ASP 21 1HB ASP 21 3.959 12.574 -7.234 147 2HB ASP 21 2HB ASP 21 4.615 11.158 -6.437 148 HD2 ASP 21 HD ASP 21 6.994 10.739 -7.363 149 H VAL 22 H VAL 22 4.714 8.592 -8.315 150 HA VAL 22 HA VAL 22 3.522 7.295 -5.979 151 HB VAL 22 HB VAL 22 2.332 6.486 -7.939 152 1HG1 VAL 22 1HG1 VAL 22 4.914 5.353 -9.025 153 2HG1 VAL 22 2HG1 VAL 22 3.336 5.519 -9.831 154 3HG1 VAL 22 3HG1 VAL 22 4.325 6.962 -9.505 155 1HG2 VAL 22 1HG2 VAL 22 2.767 4.936 -6.080 156 2HG2 VAL 22 2HG2 VAL 22 2.719 4.084 -7.643 157 3HG2 VAL 22 3HG2 VAL 22 4.283 4.422 -6.861 158 H TRP 23 H TRP 23 4.962 5.985 -4.804 159 HA TRP 23 HA TRP 23 7.601 5.539 -5.907 160 1HB TRP 23 1HB TRP 23 8.802 6.656 -4.178 161 2HB TRP 23 2HB TRP 23 7.749 7.810 -4.972 162 HD1 TRP 23 HD TRP 23 8.146 5.990 -1.594 163 HE1 TRP 23 1HE TRP 23 6.731 7.167 0.297 164 HE3 TRP 23 3HE TRP 23 5.727 9.221 -4.686 165 HZ2 TRP 23 2HZ TRP 23 4.803 9.271 0.288 166 HZ3 TRP 23 3HZ TRP 23 4.095 10.804 -3.664 167 HH2 TRP 23 HH TRP 23 3.618 10.863 -1.268 168 H LYS 24 H LYS 24 8.597 3.733 -4.894 169 HA LYS 24 HA LYS 24 6.857 2.382 -2.954 170 1HB LYS 24 1HB LYS 24 6.911 1.102 -4.942 171 2HB LYS 24 2HB LYS 24 8.635 1.331 -5.156 172 1HG LYS 24 1HG LYS 24 7.613 -0.029 -2.647 173 2HG LYS 24 2HG LYS 24 7.713 -0.940 -4.141 174 1HD LYS 24 1HD LYS 24 10.185 0.387 -4.034 175 2HD LYS 24 2HD LYS 24 9.880 -0.024 -2.358 176 1HE LYS 24 1HE LYS 24 9.790 -2.358 -2.807 177 2HE LYS 24 2HE LYS 24 9.460 -2.118 -4.511 178 1HZ LYS 24 1HZ LYS 24 11.666 -1.802 -4.957 179 2HZ LYS 24 2HZ LYS 24 11.994 -1.043 -3.554 180 HA PRO 25 HA PRO 25 10.364 3.315 -0.433 181 1HB PRO 25 1HB PRO 25 9.043 3.257 1.959 182 2HB PRO 25 2HB PRO 25 9.200 4.705 0.985 183 1HG PRO 25 1HG PRO 25 6.835 2.970 1.357 184 2HG PRO 25 2HG PRO 25 6.907 4.615 0.755 185 1HD PRO 25 1HD PRO 25 6.556 2.230 -0.801 186 2HD PRO 25 2HD PRO 25 6.744 3.862 -1.412 187 H GLU 26 H GLU 26 8.035 0.758 0.055 188 HA GLU 26 HA GLU 26 10.311 -0.913 0.741 189 1HB GLU 26 1HB GLU 26 7.765 -0.528 2.316 190 2HB GLU 26 2HB GLU 26 8.518 -2.110 2.315 191 1HG GLU 26 1HG GLU 26 9.822 0.517 3.160 192 2HG GLU 26 2HG GLU 26 9.367 -0.806 4.215 193 HE2 GLU 26 HE GLU 26 10.346 -2.869 3.495 194 HA PRO 27 HA PRO 27 8.457 -3.648 -2.070 195 1HB PRO 27 1HB PRO 27 9.413 -6.075 -1.254 196 2HB PRO 27 2HB PRO 27 10.356 -4.943 -2.203 197 1HG PRO 27 1HG PRO 27 10.577 -5.583 0.674 198 2HG PRO 27 2HG PRO 27 11.747 -4.801 -0.370 199 1HD PRO 27 1HD PRO 27 10.057 -3.531 1.568 200 2HD PRO 27 2HD PRO 27 11.143 -2.739 0.444 201 H CYS 28 H CYS 28 7.607 -3.680 1.155 202 HA CYS 28 HA CYS 28 5.375 -5.466 0.507 203 1HB CYS 28 1HB CYS 28 6.439 -4.892 3.275 204 2HB CYS 28 2HB CYS 28 5.235 -6.080 2.815 205 H ARG 29 H ARG 29 6.398 -2.269 0.930 206 HA ARG 29 HA ARG 29 3.679 -1.507 1.601 207 1HB ARG 29 1HB ARG 29 5.642 -1.201 3.444 208 2HB ARG 29 2HB ARG 29 5.945 0.261 2.526 209 1HG ARG 29 1HG ARG 29 4.388 0.869 4.259 210 2HG ARG 29 2HG ARG 29 3.467 0.833 2.769 211 1HD ARG 29 1HD ARG 29 2.378 -1.199 3.328 212 2HD ARG 29 2HD ARG 29 3.625 -1.675 4.464 213 HE ARG 29 HE ARG 29 1.328 0.014 5.030 214 1HH1 ARG 29 2HH2 ARG 29 4.679 -0.615 5.993 215 2HH1 ARG 29 1HH2 ARG 29 4.469 0.013 7.593 216 1HH2 ARG 29 1HH ARG 29 2.326 0.867 8.246 217 H ILE 30 H ILE 30 2.834 -0.067 0.105 218 HA ILE 30 HA ILE 30 4.781 1.314 -1.609 219 HB ILE 30 HB ILE 30 3.008 1.187 -3.366 220 1HG1 ILE 30 1HG1 ILE 30 1.753 -1.065 -1.830 221 2HG1 ILE 30 2HG1 ILE 30 1.240 0.579 -1.508 222 1HG2 ILE 30 1HG2 ILE 30 3.447 -1.264 -3.855 223 2HG2 ILE 30 2HG2 ILE 30 4.878 -0.236 -3.602 224 3HG2 ILE 30 3HG2 ILE 30 4.321 -1.320 -2.305 225 1HD1 ILE 30 1HD1 ILE 30 -0.137 -0.547 -3.281 226 2HD1 ILE 30 2HD1 ILE 30 0.667 0.927 -3.870 227 3HD1 ILE 30 3HD1 ILE 30 1.323 -0.672 -4.291 228 H CYS 31 H CYS 31 4.695 3.503 -1.596 229 HA CYS 31 HA CYS 31 2.339 4.671 -0.308 230 1HB CYS 31 1HB CYS 31 5.239 5.261 -0.131 231 2HB CYS 31 2HB CYS 31 4.171 6.649 -0.176 232 H VAL 32 H VAL 32 1.131 6.133 -1.521 233 HA VAL 32 HA VAL 32 2.358 7.237 -3.924 234 HB VAL 32 HB VAL 32 1.325 5.243 -4.731 235 1HG1 VAL 32 1HG1 VAL 32 -1.381 5.332 -4.350 236 2HG1 VAL 32 2HG1 VAL 32 -0.250 4.354 -3.382 237 3HG1 VAL 32 3HG1 VAL 32 -0.786 5.945 -2.788 238 1HG2 VAL 32 1HG2 VAL 32 0.804 7.714 -5.721 239 2HG2 VAL 32 2HG2 VAL 32 0.283 6.200 -6.499 240 3HG2 VAL 32 3HG2 VAL 32 -0.853 7.112 -5.477 241 H CYS 33 H CYS 33 2.077 9.400 -3.855 242 HA CYS 33 HA CYS 33 0.376 10.557 -1.942 243 1HB CYS 33 1HB CYS 33 2.485 11.562 -2.761 244 2HB CYS 33 2HB CYS 33 1.733 11.847 -4.318 245 H ASP 34 H ASP 34 -1.817 10.895 -2.099 246 HA ASP 34 HA ASP 34 -2.910 10.892 -4.803 247 1HB ASP 34 1HB ASP 34 -3.494 9.023 -3.002 248 2HB ASP 34 2HB ASP 34 -4.537 10.258 -2.325 249 HD2 ASP 34 HD ASP 34 -6.895 10.245 -4.014 250 H THR 35 H THR 35 -3.719 12.918 -5.364 251 HA THR 35 HA THR 35 -4.460 15.009 -5.184 252 HB THR 35 HB THR 35 -5.992 13.800 -2.821 253 HG1 THR 35 1HG THR 35 -6.141 12.723 -4.962 254 1HG2 THR 35 1HG2 THR 35 -7.197 15.740 -2.755 255 2HG2 THR 35 2HG2 THR 35 -5.979 16.475 -3.825 256 3HG2 THR 35 3HG2 THR 35 -7.421 15.696 -4.520 257 H GLY 36 H GLY 36 -2.042 14.017 -3.506 258 1HA GLY 36 1HA GLY 36 -0.495 15.542 -2.604 259 2HA GLY 36 2HA GLY 36 -1.808 16.533 -2.000 260 H THR 37 H THR 37 -2.581 13.239 -1.524 261 HA THR 37 HA THR 37 -1.654 13.423 1.264 262 HB THR 37 HB THR 37 -4.014 11.948 -0.021 263 HG1 THR 37 1HG THR 37 -3.789 14.160 1.889 264 1HG2 THR 37 1HG2 THR 37 -4.083 10.764 1.938 265 2HG2 THR 37 2HG2 THR 37 -2.719 11.693 2.606 266 3HG2 THR 37 3HG2 THR 37 -4.380 12.312 2.766 267 H VAL 38 H VAL 38 -0.160 12.047 2.003 268 HA VAL 38 HA VAL 38 0.871 10.096 0.163 269 HB VAL 38 HB VAL 38 1.646 10.767 3.009 270 1HG1 VAL 38 1HG1 VAL 38 2.704 8.755 2.675 271 2HG1 VAL 38 2HG1 VAL 38 2.800 8.968 0.910 272 3HG1 VAL 38 3HG1 VAL 38 3.915 9.857 1.976 273 1HG2 VAL 38 1HG2 VAL 38 1.725 12.581 1.084 274 2HG2 VAL 38 2HG2 VAL 38 3.063 12.412 2.246 275 3HG2 VAL 38 3HG2 VAL 38 3.199 11.699 0.620 276 H LEU 39 H LEU 39 -0.675 8.470 -0.126 277 HA LEU 39 HA LEU 39 -1.565 7.131 2.322 278 1HB LEU 39 1HB LEU 39 -3.219 8.044 0.639 279 2HB LEU 39 2HB LEU 39 -2.654 6.813 -0.472 280 HG LEU 39 HG LEU 39 -3.685 6.071 2.263 281 1HD1 LEU 39 1HD1 LEU 39 -5.654 6.990 1.699 282 2HD1 LEU 39 2HD1 LEU 39 -5.226 7.111 -0.024 283 3HD1 LEU 39 3HD1 LEU 39 -5.815 5.568 0.640 284 1HD2 LEU 39 1HD2 LEU 39 -2.632 4.236 1.290 285 2HD2 LEU 39 2HD2 LEU 39 -4.348 3.992 0.890 286 3HD2 LEU 39 3HD2 LEU 39 -3.231 4.628 -0.341 287 H CYS 40 H CYS 40 -0.844 5.112 2.832 288 HA CYS 40 HA CYS 40 0.862 3.850 0.813 289 1HB CYS 40 1HB CYS 40 1.418 4.574 3.482 290 2HB CYS 40 2HB CYS 40 1.275 2.828 3.478 291 H ASP 41 H ASP 41 0.236 1.813 0.108 292 HA ASP 41 HA ASP 41 -2.043 0.672 1.517 293 1HB ASP 41 1HB ASP 41 -1.278 0.949 -1.333 294 2HB ASP 41 2HB ASP 41 -1.797 -0.674 -0.925 295 HD2 ASP 41 HD ASP 41 -4.864 0.764 0.354 296 H ASP 42 H ASP 42 -2.085 -1.887 1.234 297 HA ASP 42 HA ASP 42 0.495 -2.799 2.083 298 1HB ASP 42 1HB ASP 42 -2.246 -4.119 1.876 299 2HB ASP 42 2HB ASP 42 -0.821 -5.001 2.388 300 HD2 ASP 42 HD ASP 42 -0.813 -3.576 5.558 301 H ILE 43 H ILE 43 1.442 -4.846 1.098 302 HA ILE 43 HA ILE 43 1.062 -4.801 -1.781 303 HB ILE 43 HB ILE 43 3.174 -5.847 0.077 304 1HG1 ILE 43 1HG1 ILE 43 2.953 -3.416 -0.921 305 2HG1 ILE 43 2HG1 ILE 43 4.511 -4.204 -0.776 306 1HG2 ILE 43 1HG2 ILE 43 4.309 -6.594 -2.136 307 2HG2 ILE 43 2HG2 ILE 43 3.116 -7.663 -1.360 308 3HG2 ILE 43 3HG2 ILE 43 2.645 -6.676 -2.764 309 1HD1 ILE 43 1HD1 ILE 43 3.757 -3.079 -3.073 310 2HD1 ILE 43 2HD1 ILE 43 4.701 -4.589 -3.070 311 3HD1 ILE 43 3HD1 ILE 43 2.938 -4.642 -3.310 312 H ILE 44 H ILE 44 -0.546 -6.052 -2.572 313 HA ILE 44 HA ILE 44 -0.991 -8.623 -1.232 314 HB ILE 44 HB ILE 44 -3.199 -8.466 -2.540 315 1HG1 ILE 44 1HG1 ILE 44 -2.594 -5.505 -2.486 316 2HG1 ILE 44 2HG1 ILE 44 -2.326 -6.487 -3.912 317 1HG2 ILE 44 1HG2 ILE 44 -3.063 -8.350 -0.123 318 2HG2 ILE 44 2HG2 ILE 44 -2.614 -6.630 -0.202 319 3HG2 ILE 44 3HG2 ILE 44 -4.232 -7.151 -0.727 320 1HD1 ILE 44 1HD1 ILE 44 -4.777 -7.282 -3.646 321 2HD1 ILE 44 2HD1 ILE 44 -4.956 -5.947 -2.483 322 3HD1 ILE 44 3HD1 ILE 44 -4.528 -5.601 -4.176 323 H CYS 45 H CYS 45 0.163 -10.207 -2.207 324 HA CYS 45 HA CYS 45 0.444 -10.036 -5.107 325 1HB CYS 45 1HB CYS 45 2.416 -11.162 -4.959 326 2HB CYS 45 2HB CYS 45 2.429 -10.298 -3.434 327 H GLU 46 H GLU 46 -0.342 -11.738 -6.433 328 HA GLU 46 HA GLU 46 -2.154 -13.521 -5.036 329 1HB GLU 46 1HB GLU 46 -2.048 -12.316 -7.779 330 2HB GLU 46 2HB GLU 46 -2.761 -13.912 -7.653 331 1HG GLU 46 1HG GLU 46 -4.034 -12.769 -5.560 332 2HG GLU 46 2HG GLU 46 -3.705 -11.308 -6.470 333 HE2 GLU 46 HE GLU 46 -6.078 -13.080 -5.989 334 H ASP 47 H ASP 47 -1.480 -15.577 -4.632 335 HA ASP 47 HA ASP 47 -0.202 -17.040 -6.689 336 1HB ASP 47 1HB ASP 47 1.576 -15.620 -5.196 337 2HB ASP 47 2HB ASP 47 1.407 -17.014 -4.148 338 HD2 ASP 47 HD ASP 47 3.564 -16.021 -6.154 339 H VAL 48 H VAL 48 -2.634 -17.063 -4.953 340 HA VAL 48 HA VAL 48 -2.093 -19.367 -3.228 341 HB VAL 48 HB VAL 48 -3.139 -17.314 -2.280 342 1HG1 VAL 48 1HG1 VAL 48 -5.607 -18.089 -3.859 343 2HG1 VAL 48 2HG1 VAL 48 -5.358 -16.655 -2.833 344 3HG1 VAL 48 3HG1 VAL 48 -4.483 -16.809 -4.376 345 1HG2 VAL 48 1HG2 VAL 48 -3.439 -19.455 -1.174 346 2HG2 VAL 48 2HG2 VAL 48 -4.950 -18.518 -1.077 347 3HG2 VAL 48 3HG2 VAL 48 -4.804 -19.854 -2.244 348 H LYS 49 H LYS 49 -3.745 -21.144 -3.253 349 HA LYS 49 HA LYS 49 -4.815 -21.458 -5.972 350 1HB LYS 49 1HB LYS 49 -2.816 -22.961 -4.801 351 2HB LYS 49 2HB LYS 49 -4.243 -23.926 -4.482 352 1HG LYS 49 1HG LYS 49 -4.812 -24.047 -6.828 353 2HG LYS 49 2HG LYS 49 -3.676 -22.780 -7.247 354 1HD LYS 49 1HD LYS 49 -1.772 -24.195 -6.838 355 2HD LYS 49 2HD LYS 49 -2.733 -25.378 -5.972 356 1HE LYS 49 1HE LYS 49 -3.514 -26.372 -7.907 357 2HE LYS 49 2HE LYS 49 -3.626 -24.852 -8.772 358 1HZ LYS 49 1HZ LYS 49 -1.823 -26.332 -9.593 359 2HZ LYS 49 2HZ LYS 49 -1.248 -24.884 -9.117 360 H ASP 50 H ASP 50 -5.180 -22.997 -2.696 361 HA ASP 50 HA ASP 50 -7.957 -22.232 -2.774 362 1HB ASP 50 1HB ASP 50 -7.512 -24.626 -3.796 363 2HB ASP 50 2HB ASP 50 -7.231 -25.110 -2.136 364 HD2 ASP 50 HD ASP 50 -9.683 -26.415 -2.343 365 H CYS 51 H CYS 51 -6.060 -21.087 -1.139 366 HA CYS 51 HA CYS 51 -6.043 -22.605 1.343 367 1HB CYS 51 1HB CYS 51 -4.006 -21.364 0.218 368 2HB CYS 51 2HB CYS 51 -4.684 -19.959 1.014 369 H LEU 52 H LEU 52 -6.453 -21.153 3.388 370 HA LEU 52 HA LEU 52 -8.465 -19.112 2.812 371 1HB LEU 52 1HB LEU 52 -9.265 -21.597 3.427 372 2HB LEU 52 2HB LEU 52 -9.018 -20.984 5.050 373 HG LEU 52 HG LEU 52 -10.645 -19.370 3.111 374 1HD1 LEU 52 1HD1 LEU 52 -11.265 -22.061 3.758 375 2HD1 LEU 52 2HD1 LEU 52 -12.383 -21.023 4.673 376 3HD1 LEU 52 3HD1 LEU 52 -12.268 -20.864 2.903 377 1HD2 LEU 52 1HD2 LEU 52 -10.622 -18.104 4.962 378 2HD2 LEU 52 2HD2 LEU 52 -11.860 -19.241 5.550 379 3HD2 LEU 52 3HD2 LEU 52 -10.156 -19.462 6.014 380 H SER 53 H SER 53 -6.415 -20.783 5.288 381 HA SER 53 HA SER 53 -6.479 -18.470 6.941 382 1HB SER 53 1HB SER 53 -5.349 -21.227 7.067 383 2HB SER 53 2HB SER 53 -4.444 -20.017 7.955 384 HG SER 53 HG SER 53 -5.912 -20.268 9.485 385 HA PRO 54 HA PRO 54 -3.013 -16.577 5.082 386 1HB PRO 54 1HB PRO 54 -2.525 -14.625 6.931 387 2HB PRO 54 2HB PRO 54 -3.748 -14.480 5.685 388 1HG PRO 54 1HG PRO 54 -4.098 -15.018 8.570 389 2HG PRO 54 2HG PRO 54 -5.282 -14.455 7.407 390 1HD PRO 54 1HD PRO 54 -5.039 -17.111 8.461 391 2HD PRO 54 2HD PRO 54 -6.147 -16.576 7.213 392 H GLU 55 H GLU 55 -0.727 -16.357 5.117 393 HA GLU 55 HA GLU 55 0.473 -17.380 7.525 394 1HB GLU 55 1HB GLU 55 -0.105 -19.205 5.564 395 2HB GLU 55 2HB GLU 55 1.487 -18.690 5.041 396 1HG GLU 55 1HG GLU 55 2.200 -19.048 7.540 397 2HG GLU 55 2HG GLU 55 0.703 -19.943 7.698 398 HE2 GLU 55 HE GLU 55 3.164 -21.083 7.924 399 H ILE 56 H ILE 56 2.189 -16.076 7.991 400 HA ILE 56 HA ILE 56 3.406 -14.657 5.727 401 HB ILE 56 HB ILE 56 2.708 -13.886 8.510 402 1HG1 ILE 56 1HG1 ILE 56 2.300 -11.697 7.315 403 2HG1 ILE 56 2HG1 ILE 56 2.698 -12.507 5.812 404 1HG2 ILE 56 1HG2 ILE 56 4.448 -11.901 7.930 405 2HG2 ILE 56 2HG2 ILE 56 4.838 -13.301 8.957 406 3HG2 ILE 56 3HG2 ILE 56 5.316 -13.294 7.242 407 1HD1 ILE 56 1HD1 ILE 56 0.582 -13.606 7.703 408 2HD1 ILE 56 2HD1 ILE 56 0.199 -12.408 6.444 409 3HD1 ILE 56 3HD1 ILE 56 0.836 -14.007 5.988 410 HA PRO 57 HA PRO 57 6.714 -17.350 6.870 411 1HB PRO 57 1HB PRO 57 7.986 -17.310 4.451 412 2HB PRO 57 2HB PRO 57 6.733 -18.467 4.856 413 1HG PRO 57 1HG PRO 57 6.566 -16.089 3.106 414 2HG PRO 57 2HG PRO 57 5.488 -17.468 3.191 415 1HD PRO 57 1HD PRO 57 5.021 -14.855 4.277 416 2HD PRO 57 2HD PRO 57 3.997 -16.265 4.461 417 H PHE 58 H PHE 58 8.067 -16.508 8.324 418 HA PHE 58 HA PHE 58 9.426 -14.975 9.200 419 1HB PHE 58 1HB PHE 58 10.752 -16.526 7.554 420 2HB PHE 58 2HB PHE 58 10.718 -15.189 6.421 421 HD1 PHE 58 1HD PHE 58 11.691 -15.902 9.956 422 HD2 PHE 58 2HD PHE 58 12.501 -13.721 6.406 423 HE1 PHE 58 1HE PHE 58 13.764 -14.957 11.009 424 HE2 PHE 58 2HE PHE 58 14.574 -12.777 7.460 425 HZ PHE 58 HZ PHE 58 15.180 -13.406 9.749 426 H GLY 59 H GLY 59 7.149 -13.690 8.017 427 1HA GLY 59 1HA GLY 59 6.433 -11.657 7.389 428 2HA GLY 59 2HA GLY 59 7.964 -11.038 7.976 429 H GLU 60 H GLU 60 5.996 -11.213 5.278 430 HA GLU 60 HA GLU 60 8.291 -10.695 3.573 431 1HB GLU 60 1HB GLU 60 5.876 -12.261 2.592 432 2HB GLU 60 2HB GLU 60 7.401 -12.015 1.763 433 1HG GLU 60 1HG GLU 60 8.191 -13.167 4.192 434 2HG GLU 60 2HG GLU 60 6.690 -13.999 3.838 435 HE2 GLU 60 HE GLU 60 7.762 -14.683 0.571 436 H CYS 61 H CYS 61 6.143 -10.563 1.299 437 HA CYS 61 HA CYS 61 5.110 -7.940 2.101 438 1HB CYS 61 1HB CYS 61 5.892 -8.882 -0.666 439 2HB CYS 61 2HB CYS 61 5.200 -7.320 -0.276 440 H CYS 62 H CYS 62 4.371 -11.184 1.514 441 HA CYS 62 HA CYS 62 1.691 -10.478 0.562 442 1HB CYS 62 1HB CYS 62 3.413 -12.119 -0.716 443 2HB CYS 62 2HB CYS 62 2.625 -13.282 0.332 444 HA PRO 63 HA PRO 63 1.211 -11.924 4.794 445 1HB PRO 63 1HB PRO 63 -0.797 -10.208 5.498 446 2HB PRO 63 2HB PRO 63 0.900 -9.849 5.742 447 1HG PRO 63 1HG PRO 63 -0.945 -8.772 3.699 448 2HG PRO 63 2HG PRO 63 0.598 -8.134 4.230 449 1HD PRO 63 1HD PRO 63 0.077 -9.565 1.799 450 2HD PRO 63 2HD PRO 63 1.639 -9.029 2.386 451 H ILE 64 H ILE 64 0.490 -13.615 2.935 452 HA ILE 64 HA ILE 64 -2.092 -14.430 3.929 453 HB ILE 64 HB ILE 64 -3.257 -14.454 1.927 454 1HG1 ILE 64 1HG1 ILE 64 -0.572 -14.177 0.608 455 2HG1 ILE 64 2HG1 ILE 64 -1.821 -15.377 0.344 456 1HG2 ILE 64 1HG2 ILE 64 -3.210 -12.139 1.102 457 2HG2 ILE 64 2HG2 ILE 64 -3.133 -12.220 2.879 458 3HG2 ILE 64 3HG2 ILE 64 -1.661 -11.878 1.939 459 1HD1 ILE 64 1HD1 ILE 64 -1.990 -13.967 -1.554 460 2HD1 ILE 64 2HD1 ILE 64 -3.293 -13.385 -0.490 461 3HD1 ILE 64 3HD1 ILE 64 -1.758 -12.490 -0.589 462 H CYS 65 H CYS 65 -2.647 -16.633 2.588 463 HA CYS 65 HA CYS 65 -0.195 -18.171 2.873 464 1HB CYS 65 1HB CYS 65 -1.833 -19.113 4.209 465 2HB CYS 65 2HB CYS 65 -3.114 -18.813 3.052 466 HA PRO 66 HA PRO 66 -0.203 -18.288 -1.531 467 1HB PRO 66 1HB PRO 66 2.217 -19.516 -1.852 468 2HB PRO 66 2HB PRO 66 2.040 -17.784 -1.653 469 1HG PRO 66 1HG PRO 66 2.983 -19.787 0.305 470 2HG PRO 66 2HG PRO 66 3.195 -18.047 0.326 471 1HD PRO 66 1HD PRO 66 1.343 -19.570 1.901 472 2HD PRO 66 2HD PRO 66 1.475 -17.824 1.835 473 H ALA 67 H ALA 67 0.450 -20.075 -3.290 474 HA ALA 67 HA ALA 67 -1.394 -22.168 -2.699 475 1HB ALA 67 1HB ALA 67 -0.825 -22.901 -4.995 476 2HB ALA 67 2HB ALA 67 -1.189 -21.160 -4.935 477 3HB ALA 67 3HB ALA 67 0.499 -21.713 -5.041 478 H ASP 68 H ASP 68 2.179 -21.798 -2.919 479 HA ASP 68 HA ASP 68 3.822 -23.106 -2.375 480 1HB ASP 68 1HB ASP 68 1.703 -23.781 -0.370 481 2HB ASP 68 2HB ASP 68 3.034 -24.916 -0.464 482 HD2 ASP 68 HD ASP 68 3.662 -22.120 1.923 483 H LEU 69 H LEU 69 3.606 -24.147 -4.581 484 HA LEU 69 HA LEU 69 2.468 -26.845 -4.444 485 1HB LEU 69 1HB LEU 69 2.091 -26.752 -6.732 486 2HB LEU 69 2HB LEU 69 1.600 -25.182 -6.128 487 HG LEU 69 HG LEU 69 4.127 -24.575 -6.812 488 1HD1 LEU 69 1HD1 LEU 69 3.380 -26.613 -8.915 489 2HD1 LEU 69 2HD1 LEU 69 4.896 -25.695 -8.750 490 3HD1 LEU 69 3HD1 LEU 69 4.491 -26.962 -7.568 491 1HD2 LEU 69 1HD2 LEU 69 2.089 -24.671 -9.015 492 2HD2 LEU 69 2HD2 LEU 69 1.802 -23.673 -7.569 493 3HD2 LEU 69 3HD2 LEU 69 3.238 -23.383 -8.580 494 H ALA 70 H ALA 70 3.718 -28.527 -5.757 495 HA ALA 70 HA ALA 70 6.428 -28.119 -6.334 496 1HB ALA 70 1HB ALA 70 6.257 -29.842 -3.905 497 2HB ALA 70 2HB ALA 70 7.556 -28.751 -4.444 498 3HB ALA 70 3HB ALA 70 6.110 -28.088 -3.644 499 H ALA 71 H ALA 71 7.530 -30.332 -6.721 500 HA ALA 71 HA ALA 71 7.430 -32.166 -7.981 501 1HB ALA 71 1HB ALA 71 5.591 -32.746 -5.647 502 2HB ALA 71 2HB ALA 71 5.947 -33.988 -6.870 503 3HB ALA 71 3HB ALA 71 7.268 -33.281 -5.910 504 H ALA 72 H ALA 72 6.366 -30.616 -9.644 505 HA ALA 72 HA ALA 72 3.556 -31.006 -10.053 506 1HB ALA 72 1HB ALA 72 5.446 -29.869 -12.106 507 2HB ALA 72 2HB ALA 72 3.787 -29.372 -11.696 508 3HB ALA 72 3HB ALA 72 5.134 -28.963 -10.606 509 H ALA 73 H ALA 73 6.535 -31.796 -11.993 510 HA ALA 73 HA ALA 73 5.399 -34.375 -12.618 511 1HB ALA 73 1HB ALA 73 5.817 -32.204 -14.706 512 2HB ALA 73 2HB ALA 73 5.679 -33.934 -15.103 513 3HB ALA 73 3HB ALA 73 4.315 -33.087 -14.334 Start of MODEL 7 1 1H TYR 1 H TYR 1 -14.683 13.879 1.312 2 HA TYR 1 HA TYR 1 -14.830 16.408 1.036 3 1HB TYR 1 1HB TYR 1 -16.708 15.714 3.382 4 2HB TYR 1 2HB TYR 1 -16.271 17.348 2.921 5 HD1 TYR 1 1HD TYR 1 -18.298 14.409 2.051 6 HD2 TYR 1 2HD TYR 1 -17.227 18.394 0.922 7 HE1 TYR 1 1HE TYR 1 -20.283 14.501 0.465 8 HE2 TYR 1 2HE TYR 1 -19.215 18.473 -0.660 9 HH TYR 1 HH TYR 1 -20.865 17.385 -1.528 10 H VAL 2 H VAL 2 -12.638 16.249 1.531 11 HA VAL 2 HA VAL 2 -11.972 16.619 4.268 12 HB VAL 2 HB VAL 2 -12.245 14.208 4.303 13 1HG1 VAL 2 1HG1 VAL 2 -10.156 14.130 2.098 14 2HG1 VAL 2 2HG1 VAL 2 -10.855 12.723 2.934 15 3HG1 VAL 2 3HG1 VAL 2 -11.885 13.753 1.911 16 1HG2 VAL 2 1HG2 VAL 2 -9.701 13.649 4.774 17 2HG2 VAL 2 2HG2 VAL 2 -9.512 15.408 4.582 18 3HG2 VAL 2 3HG2 VAL 2 -10.609 14.762 5.825 19 H GLU 3 H GLU 3 -10.906 15.763 0.928 20 HA GLU 3 HA GLU 3 -8.360 16.489 0.954 21 1HB GLU 3 1HB GLU 3 -8.607 17.120 -1.410 22 2HB GLU 3 2HB GLU 3 -9.597 15.719 -1.052 23 1HG GLU 3 1HG GLU 3 -11.311 17.873 -0.494 24 2HG GLU 3 2HG GLU 3 -10.419 18.425 -1.898 25 HE2 GLU 3 HE GLU 3 -13.073 17.034 -1.163 26 H PHE 4 H PHE 4 -7.160 18.502 0.379 27 HA PHE 4 HA PHE 4 -8.636 20.924 1.103 28 1HB PHE 4 1HB PHE 4 -6.448 19.495 2.482 29 2HB PHE 4 2HB PHE 4 -5.919 21.102 2.025 30 HD1 PHE 4 1HD PHE 4 -8.054 22.876 2.460 31 HD2 PHE 4 2HD PHE 4 -7.101 19.387 4.680 32 HE1 PHE 4 1HE PHE 4 -9.226 23.831 4.464 33 HE2 PHE 4 2HE PHE 4 -8.273 20.343 6.684 34 HZ PHE 4 HZ PHE 4 -9.321 22.554 6.552 35 H GLN 5 H GLN 5 -7.941 22.832 0.054 36 HA GLN 5 HA GLN 5 -6.540 22.336 -2.359 37 1HB GLN 5 1HB GLN 5 -7.038 24.688 -2.868 38 2HB GLN 5 2HB GLN 5 -8.467 23.895 -2.234 39 1HG GLN 5 1HG GLN 5 -6.676 25.215 -0.219 40 2HG GLN 5 2HG GLN 5 -7.552 26.285 -1.296 41 1HE2 GLN 5 1HE2 GLN 5 -7.892 26.026 1.513 42 2HE2 GLN 5 2HE2 GLN 5 -9.511 25.502 1.835 43 H GLU 6 H GLU 6 -4.791 24.121 -3.034 44 HA GLU 6 HA GLU 6 -2.757 24.840 -2.802 45 1HB GLU 6 1HB GLU 6 -4.040 25.634 -0.251 46 2HB GLU 6 2HB GLU 6 -2.291 25.567 -0.164 47 1HG GLU 6 1HG GLU 6 -2.282 26.943 -2.366 48 2HG GLU 6 2HG GLU 6 -3.991 27.210 -2.086 49 HE2 GLU 6 HE GLU 6 -1.409 28.764 -1.835 50 H ALA 7 H ALA 7 -0.541 24.432 -1.697 51 HA ALA 7 HA ALA 7 1.006 22.964 -1.109 52 1HB ALA 7 1HB ALA 7 -0.819 23.138 1.002 53 2HB ALA 7 2HB ALA 7 -0.572 21.388 0.787 54 3HB ALA 7 3HB ALA 7 0.823 22.455 1.080 55 H GLY 8 H GLY 8 0.300 22.231 -3.461 56 1HA GLY 8 1HA GLY 8 -1.077 19.731 -3.650 57 2HA GLY 8 2HA GLY 8 -0.202 20.571 -4.914 58 H SER 9 H SER 9 2.382 20.734 -4.203 59 HA SER 9 HA SER 9 3.421 18.324 -4.708 60 1HB SER 9 1HB SER 9 5.559 19.212 -3.998 61 2HB SER 9 2HB SER 9 4.635 20.532 -4.687 62 HG SER 9 HG SER 9 5.798 20.597 -2.365 63 H CYS 10 H CYS 10 4.225 16.526 -3.508 64 HA CYS 10 HA CYS 10 3.212 16.437 -0.769 65 1HB CYS 10 1HB CYS 10 4.115 13.964 -2.145 66 2HB CYS 10 2HB CYS 10 2.808 14.210 -1.004 67 H VAL 11 H VAL 11 4.673 16.197 0.930 68 HA VAL 11 HA VAL 11 7.492 16.095 0.153 69 HB VAL 11 HB VAL 11 7.964 17.201 2.174 70 1HG1 VAL 11 1HG1 VAL 11 7.102 19.237 1.666 71 2HG1 VAL 11 2HG1 VAL 11 6.464 18.371 0.249 72 3HG1 VAL 11 3HG1 VAL 11 5.422 18.649 1.664 73 1HG2 VAL 11 1HG2 VAL 11 6.097 17.712 3.843 74 2HG2 VAL 11 2HG2 VAL 11 5.152 16.456 3.008 75 3HG2 VAL 11 3HG2 VAL 11 6.692 16.035 3.794 76 H GLN 12 H GLN 12 8.365 14.089 0.185 77 HA GLN 12 HA GLN 12 7.357 12.293 2.249 78 1HB GLN 12 1HB GLN 12 7.153 11.751 -0.319 79 2HB GLN 12 2HB GLN 12 8.860 11.370 -0.214 80 1HG GLN 12 1HG GLN 12 6.622 10.102 1.433 81 2HG GLN 12 2HG GLN 12 7.523 9.331 0.142 82 1HE2 GLN 12 1HE2 GLN 12 7.230 9.630 3.391 83 2HE2 GLN 12 2HE2 GLN 12 8.811 9.165 3.923 84 H ASP 13 H ASP 13 8.745 12.650 3.981 85 HA ASP 13 HA ASP 13 10.552 12.492 5.171 86 1HB ASP 13 1HB ASP 13 10.973 10.577 3.158 87 2HB ASP 13 2HB ASP 13 12.455 11.513 3.135 88 HD2 ASP 13 HD ASP 13 10.366 10.304 5.603 89 H GLY 14 H GLY 14 10.044 14.581 2.795 90 1HA GLY 14 1HA GLY 14 11.068 16.716 2.824 91 2HA GLY 14 2HA GLY 14 12.619 15.969 3.151 92 H GLN 15 H GLN 15 10.404 14.503 0.792 93 HA GLN 15 HA GLN 15 12.159 15.522 -1.306 94 1HB GLN 15 1HB GLN 15 11.065 12.750 -0.805 95 2HB GLN 15 2HB GLN 15 11.387 13.250 -2.453 96 1HG GLN 15 1HG GLN 15 13.690 13.361 -2.129 97 2HG GLN 15 2HG GLN 15 13.545 13.813 -0.443 98 1HE2 GLN 15 1HE2 GLN 15 13.280 12.273 1.138 99 2HE2 GLN 15 2HE2 GLN 15 13.545 10.581 0.884 100 H ARG 16 H ARG 16 11.168 16.526 -3.036 101 HA ARG 16 HA ARG 16 8.351 16.871 -2.811 102 1HB ARG 16 1HB ARG 16 10.385 17.934 -4.837 103 2HB ARG 16 2HB ARG 16 8.701 18.416 -4.802 104 1HG ARG 16 1HG ARG 16 8.925 19.565 -2.747 105 2HG ARG 16 2HG ARG 16 10.338 18.645 -2.266 106 1HD ARG 16 1HD ARG 16 11.006 19.987 -4.722 107 2HD ARG 16 2HD ARG 16 10.227 21.169 -3.688 108 HE ARG 16 HE ARG 16 12.832 19.937 -3.256 109 1HH1 ARG 16 2HH2 ARG 16 10.072 21.405 -1.589 110 2HH1 ARG 16 1HH2 ARG 16 10.998 21.868 -0.200 111 1HH2 ARG 16 1HH ARG 16 13.337 21.354 -0.126 112 H TYR 17 H TYR 17 6.782 15.815 -4.023 113 HA TYR 17 HA TYR 17 7.654 14.431 -6.451 114 1HB TYR 17 1HB TYR 17 6.192 13.409 -3.951 115 2HB TYR 17 2HB TYR 17 6.015 12.574 -5.481 116 HD1 TYR 17 1HD TYR 17 7.916 12.796 -2.502 117 HD2 TYR 17 2HD TYR 17 8.265 11.858 -6.661 118 HE1 TYR 17 1HE TYR 17 10.040 11.477 -2.034 119 HE2 TYR 17 2HE TYR 17 10.386 10.541 -6.180 120 HH TYR 17 HH TYR 17 12.196 10.882 -3.718 121 H ASN 18 H ASN 18 5.841 13.870 -7.903 122 HA ASN 18 HA ASN 18 4.162 15.961 -8.293 123 1HB ASN 18 1HB ASN 18 4.769 13.765 -9.731 124 2HB ASN 18 2HB ASN 18 3.255 13.176 -9.075 125 1HD2 ASN 18 1HD2 ASN 18 4.798 15.703 -10.961 126 2HD2 ASN 18 2HD2 ASN 18 3.400 16.247 -11.826 127 H ASP 19 H ASP 19 1.513 15.081 -8.599 128 HA ASP 19 HA ASP 19 0.693 14.987 -5.870 129 1HB ASP 19 1HB ASP 19 -0.516 15.566 -8.521 130 2HB ASP 19 2HB ASP 19 -1.608 14.739 -7.428 131 HD2 ASP 19 HD ASP 19 -0.166 18.008 -7.820 132 H LYS 20 H LYS 20 -0.139 13.128 -8.906 133 HA LYS 20 HA LYS 20 -1.095 10.920 -7.324 134 1HB LYS 20 1HB LYS 20 -1.095 11.675 -10.223 135 2HB LYS 20 2HB LYS 20 -1.288 9.985 -9.800 136 1HG LYS 20 1HG LYS 20 -3.110 10.799 -8.116 137 2HG LYS 20 2HG LYS 20 -3.048 12.326 -8.974 138 1HD LYS 20 1HD LYS 20 -3.206 10.349 -11.008 139 2HD LYS 20 2HD LYS 20 -4.325 9.815 -9.769 140 1HE LYS 20 1HE LYS 20 -5.824 11.343 -10.520 141 2HE LYS 20 2HE LYS 20 -4.749 12.618 -9.981 142 1HZ LYS 20 1HZ LYS 20 -4.132 11.363 -12.554 143 2HZ LYS 20 2HZ LYS 20 -5.412 12.369 -12.513 144 H ASP 21 H ASP 21 1.934 12.056 -8.150 145 HA ASP 21 HA ASP 21 3.371 10.157 -9.258 146 1HB ASP 21 1HB ASP 21 3.819 12.202 -7.256 147 2HB ASP 21 2HB ASP 21 4.763 10.792 -6.816 148 HD2 ASP 21 HD ASP 21 6.979 12.636 -8.895 149 H VAL 22 H VAL 22 4.713 8.301 -8.331 150 HA VAL 22 HA VAL 22 3.567 7.136 -5.911 151 HB VAL 22 HB VAL 22 2.314 6.201 -7.772 152 1HG1 VAL 22 1HG1 VAL 22 5.025 5.371 -8.861 153 2HG1 VAL 22 2HG1 VAL 22 3.457 4.799 -9.480 154 3HG1 VAL 22 3HG1 VAL 22 3.882 6.523 -9.593 155 1HG2 VAL 22 1HG2 VAL 22 4.144 3.949 -7.055 156 2HG2 VAL 22 2HG2 VAL 22 3.332 4.819 -5.732 157 3HG2 VAL 22 3HG2 VAL 22 2.367 4.042 -7.010 158 H TRP 23 H TRP 23 5.056 5.944 -4.687 159 HA TRP 23 HA TRP 23 7.690 5.524 -5.861 160 1HB TRP 23 1HB TRP 23 8.856 6.615 -4.089 161 2HB TRP 23 2HB TRP 23 7.771 7.762 -4.850 162 HD1 TRP 23 HD TRP 23 8.171 5.810 -1.537 163 HE1 TRP 23 1HE TRP 23 6.728 6.899 0.386 164 HE3 TRP 23 3HE TRP 23 5.762 9.153 -4.518 165 HZ2 TRP 23 2HZ TRP 23 4.785 8.990 0.443 166 HZ3 TRP 23 3HZ TRP 23 4.108 10.682 -3.449 167 HH2 TRP 23 HH TRP 23 3.606 10.636 -1.057 168 H LYS 24 H LYS 24 8.838 3.800 -4.782 169 HA LYS 24 HA LYS 24 7.104 2.266 -2.975 170 1HB LYS 24 1HB LYS 24 8.868 1.481 -5.258 171 2HB LYS 24 2HB LYS 24 8.751 0.379 -3.900 172 1HG LYS 24 1HG LYS 24 7.028 -0.131 -5.614 173 2HG LYS 24 2HG LYS 24 6.287 0.332 -4.095 174 1HD LYS 24 1HD LYS 24 5.587 2.428 -4.910 175 2HD LYS 24 2HD LYS 24 6.840 2.493 -6.134 176 1HE LYS 24 1HE LYS 24 5.296 0.189 -6.772 177 2HE LYS 24 2HE LYS 24 4.126 1.417 -6.333 178 1HZ LYS 24 1HZ LYS 24 5.598 2.898 -7.888 179 2HZ LYS 24 2HZ LYS 24 6.084 1.479 -8.525 180 HA PRO 25 HA PRO 25 10.434 3.354 -0.282 181 1HB PRO 25 1HB PRO 25 9.024 3.131 2.048 182 2HB PRO 25 2HB PRO 25 9.119 4.617 1.124 183 1HG PRO 25 1HG PRO 25 6.868 2.713 1.346 184 2HG PRO 25 2HG PRO 25 6.848 4.375 0.794 185 1HD PRO 25 1HD PRO 25 6.729 2.023 -0.843 186 2HD PRO 25 2HD PRO 25 6.826 3.682 -1.398 187 H GLU 26 H GLU 26 8.286 0.621 -0.014 188 HA GLU 26 HA GLU 26 10.631 -0.947 0.600 189 1HB GLU 26 1HB GLU 26 8.203 -0.681 2.379 190 2HB GLU 26 2HB GLU 26 9.053 -2.212 2.320 191 1HG GLU 26 1HG GLU 26 10.247 0.499 3.056 192 2HG GLU 26 2HG GLU 26 9.965 -0.845 4.144 193 HE2 GLU 26 HE GLU 26 11.413 -2.717 3.806 194 HA PRO 27 HA PRO 27 8.636 -3.746 -2.046 195 1HB PRO 27 1HB PRO 27 9.693 -6.151 -1.290 196 2HB PRO 27 2HB PRO 27 10.545 -5.006 -2.307 197 1HG PRO 27 1HG PRO 27 10.980 -5.628 0.549 198 2HG PRO 27 2HG PRO 27 12.060 -4.830 -0.577 199 1HD PRO 27 1HD PRO 27 10.486 -3.582 1.470 200 2HD PRO 27 2HD PRO 27 11.475 -2.774 0.270 201 H CYS 28 H CYS 28 7.975 -3.718 1.206 202 HA CYS 28 HA CYS 28 5.778 -5.605 0.750 203 1HB CYS 28 1HB CYS 28 7.073 -4.879 3.386 204 2HB CYS 28 2HB CYS 28 5.758 -6.014 3.152 205 H ARG 29 H ARG 29 6.714 -2.352 1.022 206 HA ARG 29 HA ARG 29 3.996 -1.660 1.764 207 1HB ARG 29 1HB ARG 29 5.815 -1.253 3.616 208 2HB ARG 29 2HB ARG 29 6.371 0.057 2.595 209 1HG ARG 29 1HG ARG 29 4.841 1.242 3.866 210 2HG ARG 29 2HG ARG 29 3.762 0.707 2.593 211 1HD ARG 29 1HD ARG 29 2.512 -0.437 4.103 212 2HD ARG 29 2HD ARG 29 3.900 -1.413 4.540 213 HE ARG 29 HE ARG 29 4.169 1.137 5.808 214 1HH1 ARG 29 2HH2 ARG 29 2.141 -1.764 5.992 215 2HH1 ARG 29 1HH2 ARG 29 1.777 -1.553 7.672 216 1HH2 ARG 29 1HH ARG 29 2.697 0.322 8.846 217 H ILE 30 H ILE 30 3.052 -0.314 0.241 218 HA ILE 30 HA ILE 30 4.894 1.078 -1.578 219 HB ILE 30 HB ILE 30 3.716 -0.835 -2.594 220 1HG1 ILE 30 1HG1 ILE 30 4.445 1.120 -3.921 221 2HG1 ILE 30 2HG1 ILE 30 3.046 0.313 -4.601 222 1HG2 ILE 30 1HG2 ILE 30 1.571 -1.252 -2.222 223 2HG2 ILE 30 2HG2 ILE 30 1.491 0.176 -1.164 224 3HG2 ILE 30 3HG2 ILE 30 1.113 0.329 -2.897 225 1HD1 ILE 30 1HD1 ILE 30 1.867 2.181 -2.910 226 2HD1 ILE 30 2HD1 ILE 30 3.294 3.052 -3.520 227 3HD1 ILE 30 3HD1 ILE 30 2.102 2.385 -4.662 228 H CYS 31 H CYS 31 4.660 3.265 -1.780 229 HA CYS 31 HA CYS 31 2.309 4.402 -0.448 230 1HB CYS 31 1HB CYS 31 5.136 5.474 -0.522 231 2HB CYS 31 2HB CYS 31 3.752 6.369 0.072 232 H VAL 32 H VAL 32 1.251 6.107 -1.581 233 HA VAL 32 HA VAL 32 2.458 7.122 -3.995 234 HB VAL 32 HB VAL 32 1.547 5.126 -4.889 235 1HG1 VAL 32 1HG1 VAL 32 0.083 4.445 -3.083 236 2HG1 VAL 32 2HG1 VAL 32 -1.016 5.809 -3.409 237 3HG1 VAL 32 3HG1 VAL 32 -0.846 4.498 -4.602 238 1HG2 VAL 32 1HG2 VAL 32 -0.770 6.692 -5.718 239 2HG2 VAL 32 2HG2 VAL 32 0.723 7.662 -5.705 240 3HG2 VAL 32 3HG2 VAL 32 0.646 6.161 -6.657 241 H CYS 33 H CYS 33 2.056 9.270 -3.996 242 HA CYS 33 HA CYS 33 0.259 10.362 -2.123 243 1HB CYS 33 1HB CYS 33 2.353 11.448 -2.890 244 2HB CYS 33 2HB CYS 33 1.626 11.706 -4.464 245 H ASP 34 H ASP 34 -1.913 10.848 -2.369 246 HA ASP 34 HA ASP 34 -2.952 10.558 -5.078 247 1HB ASP 34 1HB ASP 34 -3.818 8.818 -3.601 248 2HB ASP 34 2HB ASP 34 -4.210 9.991 -2.359 249 HD2 ASP 34 HD ASP 34 -6.452 8.293 -4.228 250 H THR 35 H THR 35 -2.917 12.792 -5.690 251 HA THR 35 HA THR 35 -3.553 14.920 -5.768 252 HB THR 35 HB THR 35 -5.812 13.807 -4.028 253 HG1 THR 35 1HG THR 35 -5.338 14.463 -6.851 254 1HG2 THR 35 1HG2 THR 35 -5.460 16.476 -5.468 255 2HG2 THR 35 2HG2 THR 35 -7.069 15.782 -5.160 256 3HG2 THR 35 3HG2 THR 35 -6.005 16.201 -3.796 257 H GLY 36 H GLY 36 -1.685 13.902 -3.634 258 1HA GLY 36 1HA GLY 36 -0.422 15.528 -2.398 259 2HA GLY 36 2HA GLY 36 -1.923 16.264 -1.874 260 H THR 37 H THR 37 -3.064 13.335 -1.655 261 HA THR 37 HA THR 37 -2.280 13.029 1.115 262 HB THR 37 HB THR 37 -4.362 11.760 -0.730 263 HG1 THR 37 1HG THR 37 -4.480 14.018 0.238 264 1HG2 THR 37 1HG2 THR 37 -4.758 10.137 0.827 265 2HG2 THR 37 2HG2 THR 37 -3.284 10.639 1.688 266 3HG2 THR 37 3HG2 THR 37 -4.852 11.371 2.106 267 H VAL 38 H VAL 38 -0.450 12.006 1.626 268 HA VAL 38 HA VAL 38 0.630 10.054 -0.187 269 HB VAL 38 HB VAL 38 1.518 11.111 2.503 270 1HG1 VAL 38 1HG1 VAL 38 3.760 10.094 1.757 271 2HG1 VAL 38 2HG1 VAL 38 2.514 8.983 2.374 272 3HG1 VAL 38 3HG1 VAL 38 2.795 9.120 0.622 273 1HG2 VAL 38 1HG2 VAL 38 3.350 11.845 0.527 274 2HG2 VAL 38 2HG2 VAL 38 1.759 12.084 -0.234 275 3HG2 VAL 38 3HG2 VAL 38 2.141 12.895 1.305 276 H LEU 39 H LEU 39 -0.659 8.222 -0.266 277 HA LEU 39 HA LEU 39 -1.390 7.030 2.298 278 1HB LEU 39 1HB LEU 39 -3.243 6.323 1.320 279 2HB LEU 39 2HB LEU 39 -2.856 7.466 0.048 280 HG LEU 39 HG LEU 39 -1.506 5.420 -0.953 281 1HD1 LEU 39 1HD1 LEU 39 -3.304 4.175 1.086 282 2HD1 LEU 39 2HD1 LEU 39 -3.072 3.350 -0.474 283 3HD1 LEU 39 3HD1 LEU 39 -1.669 3.711 0.560 284 1HD2 LEU 39 1HD2 LEU 39 -3.451 6.653 -1.944 285 2HD2 LEU 39 2HD2 LEU 39 -3.363 4.927 -2.367 286 3HD2 LEU 39 3HD2 LEU 39 -4.526 5.484 -1.140 287 H CYS 40 H CYS 40 -0.948 4.756 2.707 288 HA CYS 40 HA CYS 40 1.162 3.666 1.012 289 1HB CYS 40 1HB CYS 40 1.298 3.927 4.022 290 2HB CYS 40 2HB CYS 40 2.365 2.911 3.071 291 H ASP 41 H ASP 41 0.732 1.522 0.530 292 HA ASP 41 HA ASP 41 -1.141 0.176 2.309 293 1HB ASP 41 1HB ASP 41 -1.207 0.578 -0.654 294 2HB ASP 41 2HB ASP 41 -1.590 -1.046 -0.116 295 HD2 ASP 41 HD ASP 41 -4.793 0.353 -0.138 296 H ASP 42 H ASP 42 -1.000 -2.347 1.894 297 HA ASP 42 HA ASP 42 1.806 -2.973 1.774 298 1HB ASP 42 1HB ASP 42 1.049 -5.220 2.600 299 2HB ASP 42 2HB ASP 42 0.542 -3.905 3.639 300 HD2 ASP 42 HD ASP 42 -2.370 -4.185 3.752 301 H ILE 43 H ILE 43 2.674 -4.527 0.238 302 HA ILE 43 HA ILE 43 1.435 -4.551 -2.273 303 HB ILE 43 HB ILE 43 3.938 -4.948 -1.327 304 1HG1 ILE 43 1HG1 ILE 43 2.948 -5.876 -4.037 305 2HG1 ILE 43 2HG1 ILE 43 3.177 -4.196 -3.592 306 1HG2 ILE 43 1HG2 ILE 43 2.951 -7.678 -2.200 307 2HG2 ILE 43 2HG2 ILE 43 4.645 -7.223 -1.895 308 3HG2 ILE 43 3HG2 ILE 43 3.469 -7.217 -0.559 309 1HD1 ILE 43 1HD1 ILE 43 5.145 -6.046 -4.540 310 2HD1 ILE 43 2HD1 ILE 43 5.385 -4.351 -4.055 311 3HD1 ILE 43 3HD1 ILE 43 5.562 -5.653 -2.855 312 H ILE 44 H ILE 44 -0.395 -5.610 -2.806 313 HA ILE 44 HA ILE 44 -0.903 -8.150 -1.437 314 HB ILE 44 HB ILE 44 -3.244 -7.765 -2.309 315 1HG1 ILE 44 1HG1 ILE 44 -2.384 -4.892 -2.654 316 2HG1 ILE 44 2HG1 ILE 44 -2.403 -6.011 -4.002 317 1HG2 ILE 44 1HG2 ILE 44 -3.532 -5.782 -0.563 318 2HG2 ILE 44 2HG2 ILE 44 -3.142 -7.444 -0.058 319 3HG2 ILE 44 3HG2 ILE 44 -1.852 -6.223 -0.172 320 1HD1 ILE 44 1HD1 ILE 44 -4.878 -6.507 -2.892 321 2HD1 ILE 44 2HD1 ILE 44 -4.673 -4.775 -2.541 322 3HD1 ILE 44 3HD1 ILE 44 -4.584 -5.359 -4.220 323 H CYS 45 H CYS 45 -0.084 -9.845 -2.559 324 HA CYS 45 HA CYS 45 -0.433 -9.746 -5.468 325 1HB CYS 45 1HB CYS 45 1.501 -11.122 -5.716 326 2HB CYS 45 2HB CYS 45 1.919 -9.721 -4.750 327 H GLU 46 H GLU 46 -2.119 -11.055 -6.080 328 HA GLU 46 HA GLU 46 -3.244 -12.894 -4.314 329 1HB GLU 46 1HB GLU 46 -4.872 -13.205 -5.959 330 2HB GLU 46 2HB GLU 46 -4.254 -11.623 -6.385 331 1HG GLU 46 1HG GLU 46 -2.555 -12.980 -7.902 332 2HG GLU 46 2HG GLU 46 -3.711 -14.286 -7.729 333 HE2 GLU 46 HE GLU 46 -5.347 -13.425 -10.226 334 H ASP 47 H ASP 47 -2.903 -15.080 -3.993 335 HA ASP 47 HA ASP 47 -1.671 -16.645 -5.990 336 1HB ASP 47 1HB ASP 47 -0.114 -16.304 -3.392 337 2HB ASP 47 2HB ASP 47 0.372 -17.232 -4.796 338 HD2 ASP 47 HD ASP 47 2.128 -15.176 -6.148 339 H VAL 48 H VAL 48 -4.153 -16.725 -4.570 340 HA VAL 48 HA VAL 48 -3.749 -18.817 -2.561 341 HB VAL 48 HB VAL 48 -4.982 -16.793 -1.902 342 1HG1 VAL 48 1HG1 VAL 48 -6.053 -15.986 -3.814 343 2HG1 VAL 48 2HG1 VAL 48 -6.738 -17.576 -4.226 344 3HG1 VAL 48 3HG1 VAL 48 -7.394 -16.653 -2.852 345 1HG2 VAL 48 1HG2 VAL 48 -5.803 -18.325 -0.481 346 2HG2 VAL 48 2HG2 VAL 48 -7.262 -18.300 -1.501 347 3HG2 VAL 48 3HG2 VAL 48 -6.011 -19.538 -1.766 348 H LYS 49 H LYS 49 -4.846 -20.829 -2.732 349 HA LYS 49 HA LYS 49 -6.192 -21.288 -5.287 350 1HB LYS 49 1HB LYS 49 -3.864 -22.871 -4.177 351 2HB LYS 49 2HB LYS 49 -4.954 -23.507 -5.391 352 1HG LYS 49 1HG LYS 49 -4.334 -20.998 -6.431 353 2HG LYS 49 2HG LYS 49 -2.830 -21.451 -5.655 354 1HD LYS 49 1HD LYS 49 -2.513 -23.328 -7.034 355 2HD LYS 49 2HD LYS 49 -4.225 -23.521 -7.352 356 1HE LYS 49 1HE LYS 49 -3.637 -20.974 -8.405 357 2HE LYS 49 2HE LYS 49 -2.223 -21.925 -8.813 358 1HZ LYS 49 1HZ LYS 49 -3.587 -22.513 -10.540 359 2HZ LYS 49 2HZ LYS 49 -4.114 -23.648 -9.497 360 H ASP 50 H ASP 50 -5.207 -22.951 -2.204 361 HA ASP 50 HA ASP 50 -8.032 -23.536 -1.848 362 1HB ASP 50 1HB ASP 50 -7.396 -25.805 -0.986 363 2HB ASP 50 2HB ASP 50 -7.034 -25.597 -2.688 364 HD2 ASP 50 HD ASP 50 -3.610 -25.924 -2.231 365 H CYS 51 H CYS 51 -7.123 -21.394 -0.545 366 HA CYS 51 HA CYS 51 -6.499 -22.386 2.132 367 1HB CYS 51 1HB CYS 51 -4.666 -21.027 0.605 368 2HB CYS 51 2HB CYS 51 -5.414 -19.726 1.509 369 H LEU 52 H LEU 52 -6.847 -20.193 3.658 370 HA LEU 52 HA LEU 52 -9.051 -18.609 2.694 371 1HB LEU 52 1HB LEU 52 -10.043 -20.790 3.464 372 2HB LEU 52 2HB LEU 52 -9.473 -20.410 5.078 373 HG LEU 52 HG LEU 52 -10.905 -18.131 4.228 374 1HD1 LEU 52 1HD1 LEU 52 -13.169 -19.600 3.978 375 2HD1 LEU 52 2HD1 LEU 52 -12.248 -18.930 2.609 376 3HD1 LEU 52 3HD1 LEU 52 -12.012 -20.627 3.095 377 1HD2 LEU 52 1HD2 LEU 52 -11.045 -18.535 6.465 378 2HD2 LEU 52 2HD2 LEU 52 -12.605 -19.223 5.954 379 3HD2 LEU 52 3HD2 LEU 52 -11.216 -20.295 6.257 380 H SER 53 H SER 53 -7.046 -19.681 5.509 381 HA SER 53 HA SER 53 -7.249 -17.033 6.602 382 1HB SER 53 1HB SER 53 -5.981 -17.964 8.501 383 2HB SER 53 2HB SER 53 -7.344 -18.992 8.107 384 HG SER 53 HG SER 53 -6.022 -20.594 7.505 385 HA PRO 54 HA PRO 54 -3.535 -15.928 4.529 386 1HB PRO 54 1HB PRO 54 -3.472 -13.301 5.283 387 2HB PRO 54 2HB PRO 54 -4.383 -13.880 3.903 388 1HG PRO 54 1HG PRO 54 -5.374 -13.053 6.562 389 2HG PRO 54 2HG PRO 54 -6.265 -13.222 5.063 390 1HD PRO 54 1HD PRO 54 -6.272 -15.045 7.276 391 2HD PRO 54 2HD PRO 54 -7.068 -15.269 5.732 392 H GLU 55 H GLU 55 -1.349 -15.848 4.913 393 HA GLU 55 HA GLU 55 -0.550 -15.085 7.536 394 1HB GLU 55 1HB GLU 55 -1.331 -17.532 7.727 395 2HB GLU 55 2HB GLU 55 0.025 -17.956 6.701 396 1HG GLU 55 1HG GLU 55 1.631 -17.116 8.314 397 2HG GLU 55 2HG GLU 55 0.378 -16.331 9.255 398 HE2 GLU 55 HE GLU 55 2.299 -18.636 9.592 399 H ILE 56 H ILE 56 1.347 -13.992 7.269 400 HA ILE 56 HA ILE 56 2.673 -14.099 4.759 401 HB ILE 56 HB ILE 56 2.441 -12.313 6.877 402 1HG1 ILE 56 1HG1 ILE 56 4.474 -11.812 4.751 403 2HG1 ILE 56 2HG1 ILE 56 2.840 -12.176 4.230 404 1HG2 ILE 56 1HG2 ILE 56 4.785 -11.744 7.425 405 2HG2 ILE 56 2HG2 ILE 56 4.285 -13.327 8.066 406 3HG2 ILE 56 3HG2 ILE 56 5.315 -13.238 6.617 407 1HD1 ILE 56 1HD1 ILE 56 2.507 -10.359 6.372 408 2HD1 ILE 56 2HD1 ILE 56 3.884 -9.730 5.435 409 3HD1 ILE 56 3HD1 ILE 56 2.317 -10.010 4.637 410 HA PRO 57 HA PRO 57 5.193 -17.478 5.942 411 1HB PRO 57 1HB PRO 57 6.238 -17.982 3.468 412 2HB PRO 57 2HB PRO 57 4.715 -18.651 4.019 413 1HG PRO 57 1HG PRO 57 5.187 -16.448 2.106 414 2HG PRO 57 2HG PRO 57 3.737 -17.402 2.346 415 1HD PRO 57 1HD PRO 57 4.198 -14.720 3.255 416 2HD PRO 57 2HD PRO 57 2.796 -15.715 3.594 417 H PHE 58 H PHE 58 6.899 -17.150 7.209 418 HA PHE 58 HA PHE 58 8.739 -16.105 7.916 419 1HB PHE 58 1HB PHE 58 9.762 -17.890 6.645 420 2HB PHE 58 2HB PHE 58 9.272 -17.192 5.113 421 HD1 PHE 58 1HD PHE 58 11.475 -16.437 8.030 422 HD2 PHE 58 2HD PHE 58 10.847 -16.066 3.850 423 HE1 PHE 58 1HE PHE 58 13.740 -15.387 7.783 424 HE2 PHE 58 2HE PHE 58 13.112 -15.015 3.603 425 HZ PHE 58 HZ PHE 58 14.533 -14.688 5.573 426 H GLY 59 H GLY 59 7.866 -13.915 8.046 427 1HA GLY 59 1HA GLY 59 7.573 -11.758 7.329 428 2HA GLY 59 2HA GLY 59 9.318 -11.877 7.251 429 H GLU 60 H GLU 60 6.291 -11.888 5.391 430 HA GLU 60 HA GLU 60 7.919 -11.718 2.975 431 1HB GLU 60 1HB GLU 60 5.316 -13.100 3.547 432 2HB GLU 60 2HB GLU 60 5.492 -12.365 1.966 433 1HG GLU 60 1HG GLU 60 7.771 -14.052 3.001 434 2HG GLU 60 2HG GLU 60 6.324 -14.875 2.453 435 HE2 GLU 60 HE GLU 60 8.573 -14.375 -0.398 436 H CYS 61 H CYS 61 6.023 -10.713 1.185 437 HA CYS 61 HA CYS 61 5.526 -8.092 2.379 438 1HB CYS 61 1HB CYS 61 6.000 -8.950 -0.476 439 2HB CYS 61 2HB CYS 61 5.390 -7.363 -0.052 440 H CYS 62 H CYS 62 4.111 -11.014 1.079 441 HA CYS 62 HA CYS 62 1.534 -9.658 0.798 442 1HB CYS 62 1HB CYS 62 2.494 -12.307 -0.302 443 2HB CYS 62 2HB CYS 62 0.841 -11.734 -0.410 444 HA PRO 63 HA PRO 63 0.976 -11.782 4.670 445 1HB PRO 63 1HB PRO 63 -1.043 -10.198 5.610 446 2HB PRO 63 2HB PRO 63 0.654 -9.849 5.880 447 1HG PRO 63 1HG PRO 63 -1.232 -8.547 4.012 448 2HG PRO 63 2HG PRO 63 0.309 -7.960 4.603 449 1HD PRO 63 1HD PRO 63 -0.226 -9.076 2.015 450 2HD PRO 63 2HD PRO 63 1.337 -8.597 2.648 451 H ILE 64 H ILE 64 0.253 -13.230 2.616 452 HA ILE 64 HA ILE 64 -2.441 -14.013 3.427 453 HB ILE 64 HB ILE 64 -3.295 -14.089 1.275 454 1HG1 ILE 64 1HG1 ILE 64 -0.433 -13.980 0.360 455 2HG1 ILE 64 2HG1 ILE 64 -1.677 -15.153 -0.023 456 1HG2 ILE 64 1HG2 ILE 64 -2.645 -11.725 2.330 457 2HG2 ILE 64 2HG2 ILE 64 -1.706 -11.613 0.822 458 3HG2 ILE 64 3HG2 ILE 64 -3.464 -11.885 0.758 459 1HD1 ILE 64 1HD1 ILE 64 -2.922 -13.094 -1.124 460 2HD1 ILE 64 2HD1 ILE 64 -1.299 -12.362 -1.123 461 3HD1 ILE 64 3HD1 ILE 64 -1.587 -13.885 -1.997 462 H CYS 65 H CYS 65 -2.919 -16.271 2.257 463 HA CYS 65 HA CYS 65 -0.563 -17.866 2.865 464 1HB CYS 65 1HB CYS 65 -2.336 -18.646 4.128 465 2HB CYS 65 2HB CYS 65 -3.511 -18.388 2.854 466 HA PRO 66 HA PRO 66 -0.233 -18.315 -1.509 467 1HB PRO 66 1HB PRO 66 2.178 -19.600 -1.542 468 2HB PRO 66 2HB PRO 66 2.023 -17.855 -1.495 469 1HG PRO 66 1HG PRO 66 2.771 -19.710 0.683 470 2HG PRO 66 2HG PRO 66 3.018 -17.978 0.583 471 1HD PRO 66 1HD PRO 66 1.018 -19.341 2.123 472 2HD PRO 66 2HD PRO 66 1.192 -17.608 1.931 473 H ALA 67 H ALA 67 -2.050 -19.603 -1.855 474 HA ALA 67 HA ALA 67 -3.029 -21.486 -2.484 475 1HB ALA 67 1HB ALA 67 -0.392 -21.758 -3.345 476 2HB ALA 67 2HB ALA 67 -0.704 -23.277 -2.469 477 3HB ALA 67 3HB ALA 67 -1.761 -22.793 -3.818 478 H ASP 68 H ASP 68 -0.304 -22.812 -0.480 479 HA ASP 68 HA ASP 68 -1.821 -23.062 1.814 480 1HB ASP 68 1HB ASP 68 -2.877 -24.822 0.140 481 2HB ASP 68 2HB ASP 68 -1.440 -25.764 0.486 482 HD2 ASP 68 HD ASP 68 -1.092 -25.743 2.966 483 H LEU 69 H LEU 69 0.631 -22.115 1.713 484 HA LEU 69 HA LEU 69 2.785 -22.330 2.184 485 1HB LEU 69 1HB LEU 69 1.686 -24.619 3.818 486 2HB LEU 69 2HB LEU 69 3.319 -24.002 3.968 487 HG LEU 69 HG LEU 69 1.525 -21.786 4.189 488 1HD1 LEU 69 1HD1 LEU 69 -0.307 -23.063 4.832 489 2HD1 LEU 69 2HD1 LEU 69 0.692 -24.239 5.719 490 3HD1 LEU 69 3HD1 LEU 69 0.436 -22.609 6.385 491 1HD2 LEU 69 1HD2 LEU 69 3.412 -21.382 5.343 492 2HD2 LEU 69 2HD2 LEU 69 2.519 -22.133 6.687 493 3HD2 LEU 69 3HD2 LEU 69 3.672 -23.098 5.735 494 H ALA 70 H ALA 70 2.554 -23.067 -0.319 495 HA ALA 70 HA ALA 70 3.355 -24.318 -1.961 496 1HB ALA 70 1HB ALA 70 5.494 -23.765 -0.989 497 2HB ALA 70 2HB ALA 70 5.327 -25.042 0.239 498 3HB ALA 70 3HB ALA 70 5.550 -25.476 -1.472 499 H ALA 71 H ALA 71 1.292 -25.533 -1.925 500 HA ALA 71 HA ALA 71 0.708 -27.737 -0.484 501 1HB ALA 71 1HB ALA 71 -0.563 -28.474 -2.524 502 2HB ALA 71 2HB ALA 71 -0.816 -26.763 -2.101 503 3HB ALA 71 3HB ALA 71 0.266 -27.198 -3.446 504 H ALA 72 H ALA 72 1.319 -29.889 -0.376 505 HA ALA 72 HA ALA 72 2.704 -31.238 -2.373 506 1HB ALA 72 1HB ALA 72 4.970 -31.324 -1.332 507 2HB ALA 72 2HB ALA 72 4.547 -29.698 -1.920 508 3HB ALA 72 3HB ALA 72 4.463 -30.065 -0.181 509 H ALA 73 H ALA 73 2.529 -33.409 -1.926 510 HA ALA 73 HA ALA 73 1.254 -34.103 0.545 511 1HB ALA 73 1HB ALA 73 1.664 -36.466 -0.670 512 2HB ALA 73 2HB ALA 73 0.370 -35.351 -1.171 513 3HB ALA 73 3HB ALA 73 1.904 -35.399 -2.074 Start of MODEL 8 1 1H TYR 1 H TYR 1 -7.677 10.528 7.383 2 HA TYR 1 HA TYR 1 -9.513 10.554 9.551 3 1HB TYR 1 1HB TYR 1 -6.717 9.369 9.724 4 2HB TYR 1 2HB TYR 1 -7.238 10.352 11.078 5 HD1 TYR 1 1HD TYR 1 -7.960 9.104 12.883 6 HD2 TYR 1 2HD TYR 1 -8.848 7.708 8.937 7 HE1 TYR 1 1HE TYR 1 -9.186 7.102 13.860 8 HE2 TYR 1 2HE TYR 1 -10.072 5.712 9.927 9 HH TYR 1 HH TYR 1 -11.153 5.074 11.922 10 H VAL 2 H VAL 2 -6.127 11.464 8.587 11 HA VAL 2 HA VAL 2 -6.538 14.086 9.741 12 HB VAL 2 HB VAL 2 -4.186 12.796 8.343 13 1HG1 VAL 2 1HG1 VAL 2 -4.538 15.452 8.453 14 2HG1 VAL 2 2HG1 VAL 2 -3.851 15.201 10.076 15 3HG1 VAL 2 3HG1 VAL 2 -2.941 14.687 8.636 16 1HG2 VAL 2 1HG2 VAL 2 -4.930 13.145 11.253 17 2HG2 VAL 2 2HG2 VAL 2 -4.500 11.654 10.382 18 3HG2 VAL 2 3HG2 VAL 2 -3.251 12.873 10.731 19 H GLU 3 H GLU 3 -7.654 15.580 8.597 20 HA GLU 3 HA GLU 3 -7.609 15.343 5.718 21 1HB GLU 3 1HB GLU 3 -9.496 16.925 5.765 22 2HB GLU 3 2HB GLU 3 -9.798 15.581 6.848 23 1HG GLU 3 1HG GLU 3 -9.408 16.882 8.794 24 2HG GLU 3 2HG GLU 3 -8.478 18.088 7.925 25 HE2 GLU 3 HE GLU 3 -11.719 18.114 9.186 26 H PHE 4 H PHE 4 -7.529 17.531 4.462 27 HA PHE 4 HA PHE 4 -6.148 19.673 5.701 28 1HB PHE 4 1HB PHE 4 -4.617 17.436 4.851 29 2HB PHE 4 2HB PHE 4 -4.493 18.541 3.496 30 HD1 PHE 4 1HD PHE 4 -3.652 20.903 3.950 31 HD2 PHE 4 2HD PHE 4 -3.323 17.761 6.784 32 HE1 PHE 4 1HE PHE 4 -1.855 22.177 5.154 33 HE2 PHE 4 2HE PHE 4 -1.525 19.035 7.987 34 HZ PHE 4 HZ PHE 4 -0.813 21.228 7.158 35 H GLN 5 H GLN 5 -5.646 21.432 4.103 36 HA GLN 5 HA GLN 5 -7.280 21.072 1.712 37 1HB GLN 5 1HB GLN 5 -7.230 23.253 3.761 38 2HB GLN 5 2HB GLN 5 -7.393 23.767 2.094 39 1HG GLN 5 1HG GLN 5 -9.133 21.534 3.201 40 2HG GLN 5 2HG GLN 5 -9.566 23.213 3.459 41 1HE2 GLN 5 1HE2 GLN 5 -10.091 20.636 1.558 42 2HE2 GLN 5 2HE2 GLN 5 -10.552 21.381 0.064 43 H GLU 6 H GLU 6 -6.604 22.383 -0.191 44 HA GLU 6 HA GLU 6 -5.123 23.077 -1.615 45 1HB GLU 6 1HB GLU 6 -4.585 24.590 0.759 46 2HB GLU 6 2HB GLU 6 -3.034 24.207 0.038 47 1HG GLU 6 1HG GLU 6 -3.907 25.055 -2.183 48 2HG GLU 6 2HG GLU 6 -5.394 25.528 -1.384 49 HE2 GLU 6 HE GLU 6 -4.009 28.484 -0.297 50 H ALA 7 H ALA 7 -3.947 21.582 -2.724 51 HA ALA 7 HA ALA 7 -1.702 20.338 -1.300 52 1HB ALA 7 1HB ALA 7 -3.026 18.477 -1.308 53 2HB ALA 7 2HB ALA 7 -4.057 19.088 -2.624 54 3HB ALA 7 3HB ALA 7 -2.477 18.359 -2.996 55 H GLY 8 H GLY 8 -0.063 19.409 -2.888 56 1HA GLY 8 1HA GLY 8 -0.031 20.002 -5.594 57 2HA GLY 8 2HA GLY 8 0.626 21.408 -4.781 58 H SER 9 H SER 9 2.205 20.667 -2.794 59 HA SER 9 HA SER 9 4.125 18.947 -4.122 60 1HB SER 9 1HB SER 9 5.746 19.947 -2.458 61 2HB SER 9 2HB SER 9 5.020 21.112 -3.549 62 HG SER 9 HG SER 9 4.736 22.098 -1.611 63 H CYS 10 H CYS 10 4.828 17.002 -3.201 64 HA CYS 10 HA CYS 10 3.474 16.279 -0.709 65 1HB CYS 10 1HB CYS 10 4.681 14.257 -2.559 66 2HB CYS 10 2HB CYS 10 3.373 14.075 -1.406 67 H VAL 11 H VAL 11 4.767 15.963 1.083 68 HA VAL 11 HA VAL 11 7.657 15.970 0.611 69 HB VAL 11 HB VAL 11 5.938 16.682 2.990 70 1HG1 VAL 11 1HG1 VAL 11 7.857 15.595 3.915 71 2HG1 VAL 11 2HG1 VAL 11 8.954 16.434 2.792 72 3HG1 VAL 11 3HG1 VAL 11 8.121 17.347 4.073 73 1HG2 VAL 11 1HG2 VAL 11 6.056 18.772 2.223 74 2HG2 VAL 11 2HG2 VAL 11 7.834 18.692 2.193 75 3HG2 VAL 11 3HG2 VAL 11 6.895 18.173 0.772 76 H GLN 12 H GLN 12 8.561 13.980 0.529 77 HA GLN 12 HA GLN 12 7.514 12.038 2.437 78 1HB GLN 12 1HB GLN 12 6.780 11.249 0.304 79 2HB GLN 12 2HB GLN 12 8.296 11.661 -0.472 80 1HG GLN 12 1HG GLN 12 8.148 9.220 -0.101 81 2HG GLN 12 2HG GLN 12 9.474 9.901 0.820 82 1HE2 GLN 12 1HE2 GLN 12 9.412 8.127 2.213 83 2HE2 GLN 12 2HE2 GLN 12 8.226 7.962 3.464 84 H ASP 13 H ASP 13 9.084 12.206 4.038 85 HA ASP 13 HA ASP 13 10.978 11.737 5.009 86 1HB ASP 13 1HB ASP 13 11.167 10.067 2.889 87 2HB ASP 13 2HB ASP 13 12.478 11.149 2.461 88 HD2 ASP 13 HD ASP 13 11.759 9.380 5.649 89 H GLY 14 H GLY 14 10.312 14.147 2.899 90 1HA GLY 14 1HA GLY 14 11.294 16.289 3.229 91 2HA GLY 14 2HA GLY 14 12.868 15.535 3.397 92 H GLN 15 H GLN 15 10.767 14.185 0.934 93 HA GLN 15 HA GLN 15 12.353 15.611 -1.057 94 1HB GLN 15 1HB GLN 15 11.307 12.760 -0.997 95 2HB GLN 15 2HB GLN 15 11.789 13.519 -2.500 96 1HG GLN 15 1HG GLN 15 13.852 14.028 -0.538 97 2HG GLN 15 2HG GLN 15 13.471 12.318 -0.496 98 1HE2 GLN 15 1HE2 GLN 15 15.177 11.471 -1.498 99 2HE2 GLN 15 2HE2 GLN 15 15.658 11.790 -3.131 100 H ARG 16 H ARG 16 11.275 16.710 -2.690 101 HA ARG 16 HA ARG 16 8.461 16.948 -2.325 102 1HB ARG 16 1HB ARG 16 10.602 18.372 -3.876 103 2HB ARG 16 2HB ARG 16 8.984 18.472 -4.541 104 1HG ARG 16 1HG ARG 16 8.178 19.738 -2.778 105 2HG ARG 16 2HG ARG 16 9.187 18.934 -1.593 106 1HD ARG 16 1HD ARG 16 11.148 20.216 -2.266 107 2HD ARG 16 2HD ARG 16 10.326 20.851 -3.677 108 HE ARG 16 HE ARG 16 9.296 22.459 -2.325 109 1HH1 ARG 16 2HH2 ARG 16 10.533 19.862 -0.256 110 2HH1 ARG 16 1HH2 ARG 16 10.175 20.698 1.218 111 1HH2 ARG 16 1HH ARG 16 9.171 22.872 1.121 112 H TYR 17 H TYR 17 6.951 15.723 -3.415 113 HA TYR 17 HA TYR 17 7.693 14.726 -6.072 114 1HB TYR 17 1HB TYR 17 6.659 13.337 -3.549 115 2HB TYR 17 2HB TYR 17 6.230 12.669 -5.111 116 HD1 TYR 17 1HD TYR 17 8.796 12.941 -2.586 117 HD2 TYR 17 2HD TYR 17 8.088 11.920 -6.679 118 HE1 TYR 17 1HE TYR 17 11.007 11.687 -2.663 119 HE2 TYR 17 2HE TYR 17 10.300 10.670 -6.743 120 HH TYR 17 HH TYR 17 11.950 9.873 -5.549 121 H ASN 18 H ASN 18 5.806 14.148 -7.421 122 HA ASN 18 HA ASN 18 3.734 16.042 -6.972 123 1HB ASN 18 1HB ASN 18 4.391 14.035 -9.166 124 2HB ASN 18 2HB ASN 18 2.845 14.858 -9.170 125 1HD2 ASN 18 1HD2 ASN 18 4.650 15.144 -11.213 126 2HD2 ASN 18 2HD2 ASN 18 5.282 16.757 -11.254 127 H ASP 19 H ASP 19 1.390 14.891 -7.858 128 HA ASP 19 HA ASP 19 0.766 13.152 -5.698 129 1HB ASP 19 1HB ASP 19 -1.533 13.179 -7.055 130 2HB ASP 19 2HB ASP 19 -1.027 14.567 -6.113 131 HD2 ASP 19 HD ASP 19 -0.499 16.545 -8.950 132 H LYS 20 H LYS 20 0.078 13.003 -9.284 133 HA LYS 20 HA LYS 20 -0.498 10.335 -9.423 134 1HB LYS 20 1HB LYS 20 -0.080 12.496 -11.218 135 2HB LYS 20 2HB LYS 20 0.885 11.158 -11.807 136 1HG LYS 20 1HG LYS 20 -0.959 9.821 -12.234 137 2HG LYS 20 2HG LYS 20 -1.871 10.451 -10.877 138 1HD LYS 20 1HD LYS 20 -3.062 11.566 -12.483 139 2HD LYS 20 2HD LYS 20 -1.731 12.704 -12.435 140 1HE LYS 20 1HE LYS 20 -0.623 11.591 -14.321 141 2HE LYS 20 2HE LYS 20 -1.792 10.286 -14.299 142 1HZ LYS 20 1HZ LYS 20 -2.105 12.980 -15.340 143 2HZ LYS 20 2HZ LYS 20 -2.799 11.597 -15.846 144 H ASP 21 H ASP 21 2.579 11.903 -8.857 145 HA ASP 21 HA ASP 21 4.235 9.922 -9.854 146 1HB ASP 21 1HB ASP 21 4.443 12.167 -7.883 147 2HB ASP 21 2HB ASP 21 5.661 10.917 -7.729 148 HD2 ASP 21 HD ASP 21 4.192 12.490 -10.460 149 H VAL 22 H VAL 22 4.774 7.882 -9.010 150 HA VAL 22 HA VAL 22 3.868 7.334 -6.267 151 HB VAL 22 HB VAL 22 3.212 5.180 -6.916 152 1HG1 VAL 22 1HG1 VAL 22 2.032 7.426 -8.029 153 2HG1 VAL 22 2HG1 VAL 22 2.194 6.321 -9.415 154 3HG1 VAL 22 3HG1 VAL 22 1.321 5.795 -7.954 155 1HG2 VAL 22 1HG2 VAL 22 3.613 4.199 -9.127 156 2HG2 VAL 22 2HG2 VAL 22 4.490 5.664 -9.629 157 3HG2 VAL 22 3HG2 VAL 22 5.147 4.633 -8.335 158 H TRP 23 H TRP 23 5.343 6.412 -4.871 159 HA TRP 23 HA TRP 23 7.930 5.673 -6.054 160 1HB TRP 23 1HB TRP 23 9.094 6.730 -4.256 161 2HB TRP 23 2HB TRP 23 8.067 7.908 -5.049 162 HD1 TRP 23 HD TRP 23 8.361 6.001 -1.708 163 HE1 TRP 23 1HE TRP 23 6.896 7.137 0.171 164 HE3 TRP 23 3HE TRP 23 6.042 9.319 -4.786 165 HZ2 TRP 23 2HZ TRP 23 4.975 9.247 0.159 166 HZ3 TRP 23 3HZ TRP 23 4.386 10.882 -3.773 167 HH2 TRP 23 HH TRP 23 3.839 10.882 -1.390 168 H LYS 24 H LYS 24 9.007 3.920 -4.944 169 HA LYS 24 HA LYS 24 7.178 2.426 -3.199 170 1HB LYS 24 1HB LYS 24 8.065 1.605 -5.588 171 2HB LYS 24 2HB LYS 24 9.430 1.079 -4.624 172 1HG LYS 24 1HG LYS 24 8.176 -0.778 -4.192 173 2HG LYS 24 2HG LYS 24 7.318 0.237 -3.048 174 1HD LYS 24 1HD LYS 24 5.422 -0.032 -4.256 175 2HD LYS 24 2HD LYS 24 6.173 0.805 -5.599 176 1HE LYS 24 1HE LYS 24 7.337 -1.617 -5.956 177 2HE LYS 24 2HE LYS 24 5.892 -2.153 -5.123 178 1HZ LYS 24 1HZ LYS 24 5.018 -2.040 -7.205 179 2HZ LYS 24 2HZ LYS 24 4.851 -0.447 -6.913 180 HA PRO 25 HA PRO 25 10.380 3.485 -0.345 181 1HB PRO 25 1HB PRO 25 8.850 3.288 1.911 182 2HB PRO 25 2HB PRO 25 9.011 4.769 0.989 183 1HG PRO 25 1HG PRO 25 6.728 2.895 1.102 184 2HG PRO 25 2HG PRO 25 6.758 4.556 0.544 185 1HD PRO 25 1HD PRO 25 6.691 2.198 -1.089 186 2HD PRO 25 2HD PRO 25 6.838 3.854 -1.644 187 H GLU 26 H GLU 26 8.162 0.794 -0.111 188 HA GLU 26 HA GLU 26 10.458 -0.755 0.780 189 1HB GLU 26 1HB GLU 26 7.631 -1.164 1.842 190 2HB GLU 26 2HB GLU 26 9.082 -1.994 2.367 191 1HG GLU 26 1HG GLU 26 9.873 -0.162 3.573 192 2HG GLU 26 2HG GLU 26 9.121 1.009 2.507 193 HE2 GLU 26 HE GLU 26 7.660 2.010 3.531 194 HA PRO 27 HA PRO 27 9.167 -3.527 -2.299 195 1HB PRO 27 1HB PRO 27 10.116 -5.924 -1.393 196 2HB PRO 27 2HB PRO 27 11.128 -4.727 -2.175 197 1HG PRO 27 1HG PRO 27 10.961 -5.426 0.693 198 2HG PRO 27 2HG PRO 27 12.230 -4.565 -0.155 199 1HD PRO 27 1HD PRO 27 10.215 -3.422 1.536 200 2HD PRO 27 2HD PRO 27 11.411 -2.552 0.596 201 H CYS 28 H CYS 28 7.845 -3.651 0.754 202 HA CYS 28 HA CYS 28 5.779 -5.453 -0.282 203 1HB CYS 28 1HB CYS 28 7.032 -6.564 1.478 204 2HB CYS 28 2HB CYS 28 6.786 -5.207 2.559 205 H ARG 29 H ARG 29 6.613 -2.308 0.304 206 HA ARG 29 HA ARG 29 3.865 -1.663 0.984 207 1HB ARG 29 1HB ARG 29 5.748 -1.323 2.861 208 2HB ARG 29 2HB ARG 29 6.115 0.125 1.944 209 1HG ARG 29 1HG ARG 29 4.519 0.938 3.457 210 2HG ARG 29 2HG ARG 29 3.515 0.575 2.067 211 1HD ARG 29 1HD ARG 29 2.424 -0.345 4.044 212 2HD ARG 29 2HD ARG 29 2.998 -1.687 3.073 213 HE ARG 29 HE ARG 29 5.094 -1.065 4.862 214 1HH1 ARG 29 2HH2 ARG 29 1.743 -2.194 5.080 215 2HH1 ARG 29 1HH2 ARG 29 1.998 -3.054 6.561 216 1HH2 ARG 29 1HH ARG 29 4.175 -3.042 7.565 217 H ILE 30 H ILE 30 2.978 0.014 -0.281 218 HA ILE 30 HA ILE 30 4.861 1.358 -2.090 219 HB ILE 30 HB ILE 30 3.663 -0.371 -3.284 220 1HG1 ILE 30 1HG1 ILE 30 4.214 1.811 -4.373 221 2HG1 ILE 30 2HG1 ILE 30 2.886 0.941 -5.114 222 1HG2 ILE 30 1HG2 ILE 30 1.600 -0.949 -2.717 223 2HG2 ILE 30 2HG2 ILE 30 1.454 0.474 -1.657 224 3HG2 ILE 30 3HG2 ILE 30 1.008 0.595 -3.377 225 1HD1 ILE 30 1HD1 ILE 30 1.594 2.497 -3.184 226 2HD1 ILE 30 2HD1 ILE 30 2.886 3.567 -3.781 227 3HD1 ILE 30 3HD1 ILE 30 1.706 2.875 -4.920 228 H CYS 31 H CYS 31 4.796 3.550 -2.037 229 HA CYS 31 HA CYS 31 2.546 4.710 -0.565 230 1HB CYS 31 1HB CYS 31 5.454 5.399 -0.704 231 2HB CYS 31 2HB CYS 31 4.295 6.684 -0.429 232 H VAL 32 H VAL 32 1.440 6.494 -1.526 233 HA VAL 32 HA VAL 32 2.422 7.469 -4.075 234 HB VAL 32 HB VAL 32 1.138 5.513 -4.698 235 1HG1 VAL 32 1HG1 VAL 32 -0.627 6.416 -2.581 236 2HG1 VAL 32 2HG1 VAL 32 -1.530 6.163 -4.094 237 3HG1 VAL 32 3HG1 VAL 32 -0.556 4.840 -3.407 238 1HG2 VAL 32 1HG2 VAL 32 0.838 6.975 -6.414 239 2HG2 VAL 32 2HG2 VAL 32 -0.853 6.905 -5.862 240 3HG2 VAL 32 3HG2 VAL 32 0.192 8.256 -5.359 241 H CYS 33 H CYS 33 1.788 9.597 -4.469 242 HA CYS 33 HA CYS 33 0.468 10.848 -2.210 243 1HB CYS 33 1HB CYS 33 2.598 11.772 -2.948 244 2HB CYS 33 2HB CYS 33 1.962 12.027 -4.561 245 H ASP 34 H ASP 34 -1.764 10.662 -2.422 246 HA ASP 34 HA ASP 34 -2.830 11.266 -5.065 247 1HB ASP 34 1HB ASP 34 -3.325 9.014 -3.824 248 2HB ASP 34 2HB ASP 34 -4.351 9.969 -2.772 249 HD2 ASP 34 HD ASP 34 -4.820 10.745 -6.363 250 H THR 35 H THR 35 -3.504 13.421 -5.124 251 HA THR 35 HA THR 35 -4.621 15.274 -4.582 252 HB THR 35 HB THR 35 -5.687 13.868 -2.092 253 HG1 THR 35 1HG THR 35 -7.251 12.989 -3.672 254 1HG2 THR 35 1HG2 THR 35 -7.710 15.145 -2.586 255 2HG2 THR 35 2HG2 THR 35 -6.347 16.291 -2.620 256 3HG2 THR 35 3HG2 THR 35 -7.042 15.690 -4.144 257 H GLY 36 H GLY 36 -1.876 14.509 -3.617 258 1HA GLY 36 1HA GLY 36 -0.296 15.813 -2.607 259 2HA GLY 36 2HA GLY 36 -1.547 16.799 -1.878 260 H THR 37 H THR 37 -2.335 13.516 -1.406 261 HA THR 37 HA THR 37 -1.163 13.614 1.292 262 HB THR 37 HB THR 37 -3.729 12.429 0.134 263 HG1 THR 37 1HG THR 37 -2.855 14.316 2.202 264 1HG2 THR 37 1HG2 THR 37 -4.034 11.959 2.748 265 2HG2 THR 37 2HG2 THR 37 -3.251 10.740 1.713 266 3HG2 THR 37 3HG2 THR 37 -2.259 11.826 2.715 267 H VAL 38 H VAL 38 0.358 12.187 1.860 268 HA VAL 38 HA VAL 38 1.147 10.242 -0.105 269 HB VAL 38 HB VAL 38 2.203 11.147 2.569 270 1HG1 VAL 38 1HG1 VAL 38 4.218 9.676 1.966 271 2HG1 VAL 38 2HG1 VAL 38 2.770 8.859 2.600 272 3HG1 VAL 38 3HG1 VAL 38 3.116 8.829 0.855 273 1HG2 VAL 38 1HG2 VAL 38 3.232 12.667 1.301 274 2HG2 VAL 38 2HG2 VAL 38 4.140 11.345 0.530 275 3HG2 VAL 38 3HG2 VAL 38 2.615 11.915 -0.189 276 H LEU 39 H LEU 39 -0.501 8.686 -0.240 277 HA LEU 39 HA LEU 39 -1.172 7.336 2.266 278 1HB LEU 39 1HB LEU 39 -3.138 7.973 1.252 279 2HB LEU 39 2HB LEU 39 -2.533 7.689 -0.368 280 HG LEU 39 HG LEU 39 -2.782 5.316 -0.147 281 1HD1 LEU 39 1HD1 LEU 39 -2.337 5.719 2.560 282 2HD1 LEU 39 2HD1 LEU 39 -4.031 5.181 2.483 283 3HD1 LEU 39 3HD1 LEU 39 -2.747 4.178 1.767 284 1HD2 LEU 39 1HD2 LEU 39 -5.324 6.201 1.141 285 2HD2 LEU 39 2HD2 LEU 39 -4.844 6.967 -0.393 286 3HD2 LEU 39 3HD2 LEU 39 -5.053 5.201 -0.306 287 H CYS 40 H CYS 40 -0.437 5.309 2.710 288 HA CYS 40 HA CYS 40 1.045 4.014 0.540 289 1HB CYS 40 1HB CYS 40 1.919 4.759 3.074 290 2HB CYS 40 2HB CYS 40 1.615 3.040 3.229 291 H ASP 41 H ASP 41 0.267 2.030 -0.142 292 HA ASP 41 HA ASP 41 -1.867 0.907 1.487 293 1HB ASP 41 1HB ASP 41 -1.354 1.123 -1.453 294 2HB ASP 41 2HB ASP 41 -2.053 -0.396 -0.927 295 HD2 ASP 41 HD ASP 41 -4.464 -0.192 -0.886 296 H ASP 42 H ASP 42 -1.897 -1.502 1.689 297 HA ASP 42 HA ASP 42 0.727 -2.520 1.952 298 1HB ASP 42 1HB ASP 42 -2.063 -3.407 2.570 299 2HB ASP 42 2HB ASP 42 -0.909 -4.699 2.313 300 HD2 ASP 42 HD ASP 42 -0.212 -4.610 5.547 301 H ILE 43 H ILE 43 1.728 -4.152 0.639 302 HA ILE 43 HA ILE 43 0.697 -4.376 -2.014 303 HB ILE 43 HB ILE 43 3.112 -5.524 -0.617 304 1HG1 ILE 43 1HG1 ILE 43 2.665 -3.172 -2.461 305 2HG1 ILE 43 2HG1 ILE 43 3.320 -3.169 -0.836 306 1HG2 ILE 43 1HG2 ILE 43 2.663 -5.574 -3.598 307 2HG2 ILE 43 2HG2 ILE 43 3.883 -6.435 -2.630 308 3HG2 ILE 43 3HG2 ILE 43 2.174 -6.925 -2.548 309 1HD1 ILE 43 1HD1 ILE 43 4.657 -3.811 -3.415 310 2HD1 ILE 43 2HD1 ILE 43 5.341 -3.143 -1.914 311 3HD1 ILE 43 3HD1 ILE 43 5.070 -4.896 -2.065 312 H ILE 44 H ILE 44 -1.189 -5.542 -2.172 313 HA ILE 44 HA ILE 44 -1.382 -8.038 -0.715 314 HB ILE 44 HB ILE 44 -3.675 -8.051 -1.778 315 1HG1 ILE 44 1HG1 ILE 44 -3.125 -5.155 -2.430 316 2HG1 ILE 44 2HG1 ILE 44 -2.909 -6.419 -3.623 317 1HG2 ILE 44 1HG2 ILE 44 -3.757 -7.457 0.427 318 2HG2 ILE 44 2HG2 ILE 44 -2.654 -6.077 0.218 319 3HG2 ILE 44 3HG2 ILE 44 -4.348 -5.951 -0.316 320 1HD1 ILE 44 1HD1 ILE 44 -5.280 -5.139 -3.216 321 2HD1 ILE 44 2HD1 ILE 44 -5.169 -6.805 -3.835 322 3HD1 ILE 44 3HD1 ILE 44 -5.484 -6.516 -2.107 323 H CYS 45 H CYS 45 -0.368 -9.783 -1.549 324 HA CYS 45 HA CYS 45 0.011 -9.904 -4.411 325 1HB CYS 45 1HB CYS 45 0.912 -12.186 -2.799 326 2HB CYS 45 2HB CYS 45 1.760 -11.247 -4.013 327 H GLU 46 H GLU 46 -0.419 -12.188 -5.436 328 HA GLU 46 HA GLU 46 -3.142 -12.798 -4.847 329 1HB GLU 46 1HB GLU 46 -1.207 -13.336 -7.044 330 2HB GLU 46 2HB GLU 46 -2.394 -14.599 -6.790 331 1HG GLU 46 1HG GLU 46 -4.204 -12.795 -6.844 332 2HG GLU 46 2HG GLU 46 -2.965 -11.645 -7.304 333 HE2 GLU 46 HE GLU 46 -2.228 -12.438 -10.127 334 H ASP 47 H ASP 47 -3.823 -15.228 -4.802 335 HA ASP 47 HA ASP 47 -2.101 -16.478 -2.840 336 1HB ASP 47 1HB ASP 47 -4.931 -16.187 -3.159 337 2HB ASP 47 2HB ASP 47 -4.594 -17.895 -3.350 338 HD2 ASP 47 HD ASP 47 -4.584 -15.735 -0.208 339 H VAL 48 H VAL 48 -2.073 -19.025 -3.006 340 HA VAL 48 HA VAL 48 -2.567 -20.175 -5.554 341 HB VAL 48 HB VAL 48 -0.426 -18.748 -5.791 342 1HG1 VAL 48 1HG1 VAL 48 0.688 -19.414 -3.737 343 2HG1 VAL 48 2HG1 VAL 48 0.665 -21.121 -4.242 344 3HG1 VAL 48 3HG1 VAL 48 1.651 -19.941 -5.137 345 1HG2 VAL 48 1HG2 VAL 48 0.277 -21.487 -6.633 346 2HG2 VAL 48 2HG2 VAL 48 -1.367 -20.972 -7.082 347 3HG2 VAL 48 3HG2 VAL 48 0.039 -20.011 -7.599 348 H LYS 49 H LYS 49 -1.003 -22.432 -5.444 349 HA LYS 49 HA LYS 49 -1.166 -23.411 -2.708 350 1HB LYS 49 1HB LYS 49 -3.326 -24.019 -3.397 351 2HB LYS 49 2HB LYS 49 -2.807 -24.435 -5.018 352 1HG LYS 49 1HG LYS 49 -2.346 -26.571 -4.403 353 2HG LYS 49 2HG LYS 49 -1.322 -26.033 -3.087 354 1HD LYS 49 1HD LYS 49 -3.109 -27.299 -2.080 355 2HD LYS 49 2HD LYS 49 -3.430 -25.615 -1.712 356 1HE LYS 49 1HE LYS 49 -4.668 -26.193 -4.252 357 2HE LYS 49 2HE LYS 49 -5.101 -27.486 -3.152 358 1HZ LYS 49 1HZ LYS 49 -5.277 -24.877 -1.941 359 2HZ LYS 49 2HZ LYS 49 -6.289 -25.048 -3.205 360 H ASP 50 H ASP 50 1.002 -23.785 -2.467 361 HA ASP 50 HA ASP 50 3.037 -24.445 -2.945 362 1HB ASP 50 1HB ASP 50 1.278 -26.826 -3.575 363 2HB ASP 50 2HB ASP 50 3.005 -26.965 -3.838 364 HD2 ASP 50 HD ASP 50 4.079 -25.862 -1.921 365 H CYS 51 H CYS 51 2.438 -22.768 -4.980 366 HA CYS 51 HA CYS 51 2.165 -23.750 -7.523 367 1HB CYS 51 1HB CYS 51 2.264 -21.306 -6.510 368 2HB CYS 51 2HB CYS 51 3.929 -21.384 -7.049 369 H LEU 52 H LEU 52 3.791 -24.119 -9.238 370 HA LEU 52 HA LEU 52 5.714 -25.899 -8.670 371 1HB LEU 52 1HB LEU 52 5.186 -24.017 -10.877 372 2HB LEU 52 2HB LEU 52 6.825 -24.633 -10.804 373 HG LEU 52 HG LEU 52 4.456 -26.497 -10.710 374 1HD1 LEU 52 1HD1 LEU 52 3.899 -26.064 -12.809 375 2HD1 LEU 52 2HD1 LEU 52 5.146 -24.796 -12.899 376 3HD1 LEU 52 3HD1 LEU 52 5.551 -26.475 -13.330 377 1HD2 LEU 52 1HD2 LEU 52 6.951 -27.105 -10.163 378 2HD2 LEU 52 2HD2 LEU 52 5.941 -28.194 -11.146 379 3HD2 LEU 52 3HD2 LEU 52 7.118 -27.116 -11.936 380 H SER 53 H SER 53 6.868 -22.644 -9.701 381 HA SER 53 HA SER 53 8.798 -22.856 -7.524 382 1HB SER 53 1HB SER 53 9.069 -22.188 -10.395 383 2HB SER 53 2HB SER 53 9.876 -21.042 -9.343 384 HG SER 53 HG SER 53 10.562 -23.662 -9.959 385 HA PRO 54 HA PRO 54 6.802 -19.165 -6.221 386 1HB PRO 54 1HB PRO 54 8.139 -18.847 -3.859 387 2HB PRO 54 2HB PRO 54 6.726 -19.870 -4.030 388 1HG PRO 54 1HG PRO 54 9.566 -20.656 -3.789 389 2HG PRO 54 2HG PRO 54 8.132 -21.631 -3.536 390 1HD PRO 54 1HD PRO 54 9.859 -21.680 -5.826 391 2HD PRO 54 2HD PRO 54 8.361 -22.568 -5.622 392 H GLU 55 H GLU 55 7.049 -17.211 -7.081 393 HA GLU 55 HA GLU 55 9.636 -16.019 -6.667 394 1HB GLU 55 1HB GLU 55 9.020 -17.263 -9.134 395 2HB GLU 55 2HB GLU 55 8.804 -15.549 -9.430 396 1HG GLU 55 1HG GLU 55 11.045 -15.048 -9.054 397 2HG GLU 55 2HG GLU 55 11.252 -16.332 -7.879 398 HE2 GLU 55 HE GLU 55 12.613 -18.297 -9.305 399 H ILE 56 H ILE 56 9.530 -13.748 -6.510 400 HA ILE 56 HA ILE 56 6.928 -12.693 -6.097 401 HB ILE 56 HB ILE 56 9.538 -12.108 -5.310 402 1HG1 ILE 56 1HG1 ILE 56 7.389 -10.159 -4.666 403 2HG1 ILE 56 2HG1 ILE 56 7.036 -11.839 -4.315 404 1HG2 ILE 56 1HG2 ILE 56 9.678 -9.652 -5.775 405 2HG2 ILE 56 2HG2 ILE 56 9.953 -10.694 -7.192 406 3HG2 ILE 56 3HG2 ILE 56 8.391 -9.864 -6.987 407 1HD1 ILE 56 1HD1 ILE 56 9.728 -11.381 -3.453 408 2HD1 ILE 56 2HD1 ILE 56 8.745 -10.019 -2.860 409 3HD1 ILE 56 3HD1 ILE 56 8.295 -11.690 -2.442 410 HA PRO 57 HA PRO 57 6.420 -11.611 -10.311 411 1HB PRO 57 1HB PRO 57 3.759 -11.006 -10.168 412 2HB PRO 57 2HB PRO 57 4.359 -12.629 -10.445 413 1HG PRO 57 1HG PRO 57 3.208 -11.474 -7.979 414 2HG PRO 57 2HG PRO 57 3.414 -13.160 -8.409 415 1HD PRO 57 1HD PRO 57 5.028 -11.644 -6.586 416 2HD PRO 57 2HD PRO 57 5.302 -13.296 -7.105 417 H PHE 58 H PHE 58 7.351 -9.829 -11.075 418 HA PHE 58 HA PHE 58 7.964 -7.686 -11.069 419 1HB PHE 58 1HB PHE 58 5.896 -7.642 -12.410 420 2HB PHE 58 2HB PHE 58 4.896 -7.677 -10.972 421 HD1 PHE 58 1HD PHE 58 3.704 -5.715 -10.811 422 HD2 PHE 58 2HD PHE 58 7.775 -5.521 -11.993 423 HE1 PHE 58 1HE PHE 58 3.577 -3.209 -10.838 424 HE2 PHE 58 2HE PHE 58 7.648 -3.015 -12.020 425 HZ PHE 58 HZ PHE 58 5.551 -1.888 -11.443 426 H GLY 59 H GLY 59 9.021 -7.607 -8.971 427 1HA GLY 59 1HA GLY 59 9.181 -7.086 -6.749 428 2HA GLY 59 2HA GLY 59 8.639 -5.545 -7.380 429 H GLU 60 H GLU 60 7.665 -8.539 -5.711 430 HA GLU 60 HA GLU 60 5.165 -7.190 -5.039 431 1HB GLU 60 1HB GLU 60 5.763 -10.039 -5.764 432 2HB GLU 60 2HB GLU 60 4.561 -9.781 -4.514 433 1HG GLU 60 1HG GLU 60 4.381 -8.137 -7.044 434 2HG GLU 60 2HG GLU 60 3.878 -9.815 -7.102 435 HE2 GLU 60 HE GLU 60 2.077 -7.296 -4.563 436 H CYS 61 H CYS 61 4.319 -8.788 -2.908 437 HA CYS 61 HA CYS 61 6.452 -8.251 -0.982 438 1HB CYS 61 1HB CYS 61 4.497 -6.949 -0.544 439 2HB CYS 61 2HB CYS 61 3.449 -8.348 -0.684 440 H CYS 62 H CYS 62 4.492 -10.679 -2.575 441 HA CYS 62 HA CYS 62 5.418 -12.663 -0.627 442 1HB CYS 62 1HB CYS 62 3.128 -13.085 -2.535 443 2HB CYS 62 2HB CYS 62 3.548 -14.011 -1.108 444 HA PRO 63 HA PRO 63 7.814 -13.662 -4.230 445 1HB PRO 63 1HB PRO 63 9.756 -15.086 -2.936 446 2HB PRO 63 2HB PRO 63 9.832 -13.351 -3.164 447 1HG PRO 63 1HG PRO 63 9.201 -14.870 -0.709 448 2HG PRO 63 2HG PRO 63 9.695 -13.195 -0.867 449 1HD PRO 63 1HD PRO 63 7.042 -14.162 -0.361 450 2HD PRO 63 2HD PRO 63 7.517 -12.497 -0.635 451 H ILE 64 H ILE 64 5.495 -14.879 -4.217 452 HA ILE 64 HA ILE 64 6.312 -17.689 -4.465 453 HB ILE 64 HB ILE 64 4.469 -18.456 -3.388 454 1HG1 ILE 64 1HG1 ILE 64 3.112 -15.920 -4.275 455 2HG1 ILE 64 2HG1 ILE 64 2.697 -17.582 -4.640 456 1HG2 ILE 64 1HG2 ILE 64 4.631 -17.613 -1.306 457 2HG2 ILE 64 2HG2 ILE 64 5.919 -16.618 -2.026 458 3HG2 ILE 64 3HG2 ILE 64 4.281 -15.949 -1.832 459 1HD1 ILE 64 1HD1 ILE 64 1.104 -17.156 -3.011 460 2HD1 ILE 64 2HD1 ILE 64 2.426 -17.725 -1.963 461 3HD1 ILE 64 3HD1 ILE 64 2.135 -15.980 -2.162 462 H CYS 65 H CYS 65 4.776 -18.913 -6.000 463 HA CYS 65 HA CYS 65 4.408 -17.183 -8.309 464 1HB CYS 65 1HB CYS 65 5.605 -18.895 -9.140 465 2HB CYS 65 2HB CYS 65 5.096 -20.015 -7.891 466 HA PRO 66 HA PRO 66 0.113 -17.473 -7.363 467 1HB PRO 66 1HB PRO 66 -0.775 -15.683 -9.226 468 2HB PRO 66 2HB PRO 66 -0.207 -15.210 -7.638 469 1HG PRO 66 1HG PRO 66 1.159 -14.948 -10.245 470 2HG PRO 66 2HG PRO 66 1.502 -14.122 -8.739 471 1HD PRO 66 1HD PRO 66 2.973 -16.309 -9.868 472 2HD PRO 66 2HD PRO 66 3.244 -15.558 -8.308 473 H ALA 67 H ALA 67 -2.014 -17.404 -9.008 474 HA ALA 67 HA ALA 67 -1.379 -19.250 -11.163 475 1HB ALA 67 1HB ALA 67 -3.539 -19.936 -9.149 476 2HB ALA 67 2HB ALA 67 -2.811 -20.975 -10.398 477 3HB ALA 67 3HB ALA 67 -1.866 -20.514 -8.962 478 H ASP 68 H ASP 68 -1.888 -17.228 -12.346 479 HA ASP 68 HA ASP 68 -4.511 -17.264 -13.222 480 1HB ASP 68 1HB ASP 68 -3.797 -15.181 -11.156 481 2HB ASP 68 2HB ASP 68 -4.834 -14.697 -12.483 482 HD2 ASP 68 HD ASP 68 -7.038 -15.791 -12.457 483 H LEU 69 H LEU 69 -1.792 -17.325 -14.246 484 HA LEU 69 HA LEU 69 -1.766 -14.809 -15.759 485 1HB LEU 69 1HB LEU 69 0.624 -14.829 -15.770 486 2HB LEU 69 2HB LEU 69 0.039 -14.840 -14.118 487 HG LEU 69 HG LEU 69 0.740 -17.457 -15.396 488 1HD1 LEU 69 1HD1 LEU 69 2.708 -15.330 -14.578 489 2HD1 LEU 69 2HD1 LEU 69 3.111 -17.060 -14.459 490 3HD1 LEU 69 3HD1 LEU 69 2.686 -16.352 -16.037 491 1HD2 LEU 69 1HD2 LEU 69 1.653 -16.964 -12.682 492 2HD2 LEU 69 2HD2 LEU 69 -0.090 -16.648 -12.863 493 3HD2 LEU 69 3HD2 LEU 69 0.580 -18.234 -13.318 494 H ALA 70 H ALA 70 -1.586 -14.994 -17.981 495 HA ALA 70 HA ALA 70 -2.499 -17.172 -19.263 496 1HB ALA 70 1HB ALA 70 -0.753 -14.857 -20.005 497 2HB ALA 70 2HB ALA 70 -0.897 -16.184 -21.182 498 3HB ALA 70 3HB ALA 70 -2.354 -15.325 -20.627 499 H ALA 71 H ALA 71 1.037 -16.350 -18.974 500 HA ALA 71 HA ALA 71 2.833 -17.637 -19.258 501 1HB ALA 71 1HB ALA 71 1.059 -19.105 -17.312 502 2HB ALA 71 2HB ALA 71 2.616 -19.819 -17.793 503 3HB ALA 71 3HB ALA 71 2.574 -18.219 -17.016 504 H ALA 72 H ALA 72 2.792 -18.035 -21.511 505 HA ALA 72 HA ALA 72 2.568 -19.202 -23.384 506 1HB ALA 72 1HB ALA 72 3.089 -21.301 -21.280 507 2HB ALA 72 2HB ALA 72 2.824 -21.784 -22.973 508 3HB ALA 72 3HB ALA 72 4.167 -20.692 -22.558 509 H ALA 73 H ALA 73 0.362 -18.394 -23.689 510 HA ALA 73 HA ALA 73 -1.862 -19.810 -22.712 511 1HB ALA 73 1HB ALA 73 -2.211 -17.566 -23.349 512 2HB ALA 73 2HB ALA 73 -1.380 -17.783 -24.908 513 3HB ALA 73 3HB ALA 73 -2.987 -18.500 -24.650 Start of MODEL 9 1 1H TYR 1 H TYR 1 -10.080 11.547 13.990 2 HA TYR 1 HA TYR 1 -11.542 12.533 11.728 3 1HB TYR 1 1HB TYR 1 -10.834 14.206 14.216 4 2HB TYR 1 2HB TYR 1 -11.263 14.941 12.684 5 HD1 TYR 1 1HD TYR 1 -12.593 12.556 15.247 6 HD2 TYR 1 2HD TYR 1 -13.501 15.438 12.218 7 HE1 TYR 1 1HE TYR 1 -15.053 12.457 15.880 8 HE2 TYR 1 2HE TYR 1 -15.958 15.329 12.861 9 HH TYR 1 HH TYR 1 -17.465 13.633 13.927 10 H VAL 2 H VAL 2 -9.856 12.043 10.347 11 HA VAL 2 HA VAL 2 -7.480 13.669 10.682 12 HB VAL 2 HB VAL 2 -5.990 11.755 10.313 13 1HG1 VAL 2 1HG1 VAL 2 -6.111 10.817 12.587 14 2HG1 VAL 2 2HG1 VAL 2 -6.354 12.580 12.588 15 3HG1 VAL 2 3HG1 VAL 2 -7.748 11.488 12.775 16 1HG2 VAL 2 1HG2 VAL 2 -7.963 10.347 9.328 17 2HG2 VAL 2 2HG2 VAL 2 -6.662 9.534 10.232 18 3HG2 VAL 2 3HG2 VAL 2 -8.223 9.866 11.022 19 H GLU 3 H GLU 3 -6.012 13.206 8.593 20 HA GLU 3 HA GLU 3 -5.821 13.297 6.431 21 1HB GLU 3 1HB GLU 3 -7.988 11.335 6.771 22 2HB GLU 3 2HB GLU 3 -8.097 12.170 5.235 23 1HG GLU 3 1HG GLU 3 -5.631 11.650 4.855 24 2HG GLU 3 2HG GLU 3 -5.659 10.682 6.316 25 HE2 GLU 3 HE GLU 3 -6.174 8.534 5.868 26 H PHE 4 H PHE 4 -6.033 15.627 6.552 27 HA PHE 4 HA PHE 4 -8.121 16.611 4.914 28 1HB PHE 4 1HB PHE 4 -9.196 16.355 7.241 29 2HB PHE 4 2HB PHE 4 -7.979 17.445 7.874 30 HD1 PHE 4 1HD PHE 4 -8.077 19.824 7.411 31 HD2 PHE 4 2HD PHE 4 -10.994 17.186 5.815 32 HE1 PHE 4 1HE PHE 4 -9.541 21.783 6.849 33 HE2 PHE 4 2HE PHE 4 -12.458 19.146 5.252 34 HZ PHE 4 HZ PHE 4 -11.715 21.421 5.776 35 H GLN 5 H GLN 5 -6.380 17.432 3.671 36 HA GLN 5 HA GLN 5 -5.459 19.939 4.547 37 1HB GLN 5 1HB GLN 5 -3.037 19.477 4.562 38 2HB GLN 5 2HB GLN 5 -3.849 18.549 5.808 39 1HG GLN 5 1HG GLN 5 -3.945 16.884 3.523 40 2HG GLN 5 2HG GLN 5 -2.346 17.600 3.470 41 1HE2 GLN 5 1HE2 GLN 5 -2.541 14.960 3.831 42 2HE2 GLN 5 2HE2 GLN 5 -2.127 14.486 5.445 43 H GLU 6 H GLU 6 -3.763 20.815 2.807 44 HA GLU 6 HA GLU 6 -4.147 19.487 0.276 45 1HB GLU 6 1HB GLU 6 -4.986 21.518 -0.837 46 2HB GLU 6 2HB GLU 6 -6.080 21.022 0.438 47 1HG GLU 6 1HG GLU 6 -5.887 23.080 1.364 48 2HG GLU 6 2HG GLU 6 -4.198 22.750 1.694 49 HE2 GLU 6 HE GLU 6 -5.864 25.145 -0.469 50 H ALA 7 H ALA 7 -2.247 19.519 -0.865 51 HA ALA 7 HA ALA 7 -0.514 21.809 -0.689 52 1HB ALA 7 1HB ALA 7 0.091 20.511 1.344 53 2HB ALA 7 2HB ALA 7 0.419 19.091 0.322 54 3HB ALA 7 3HB ALA 7 1.417 20.555 0.157 55 H GLY 8 H GLY 8 0.150 22.150 -2.746 56 1HA GLY 8 1HA GLY 8 -0.429 20.568 -4.894 57 2HA GLY 8 2HA GLY 8 0.878 21.735 -4.837 58 H SER 9 H SER 9 2.911 20.885 -3.479 59 HA SER 9 HA SER 9 3.579 18.397 -4.747 60 1HB SER 9 1HB SER 9 5.150 20.526 -3.260 61 2HB SER 9 2HB SER 9 5.882 18.978 -3.635 62 HG SER 9 HG SER 9 5.756 21.072 -5.241 63 H CYS 10 H CYS 10 4.635 16.607 -3.506 64 HA CYS 10 HA CYS 10 3.478 16.458 -0.824 65 1HB CYS 10 1HB CYS 10 4.495 14.039 -2.243 66 2HB CYS 10 2HB CYS 10 3.194 14.197 -1.078 67 H VAL 11 H VAL 11 4.878 16.342 0.923 68 HA VAL 11 HA VAL 11 7.725 16.304 0.279 69 HB VAL 11 HB VAL 11 6.195 17.093 2.767 70 1HG1 VAL 11 1HG1 VAL 11 9.009 17.939 2.495 71 2HG1 VAL 11 2HG1 VAL 11 8.122 17.331 3.913 72 3HG1 VAL 11 3HG1 VAL 11 8.781 16.188 2.718 73 1HG2 VAL 11 1HG2 VAL 11 7.340 18.618 0.443 74 2HG2 VAL 11 2HG2 VAL 11 5.780 18.816 1.277 75 3HG2 VAL 11 3HG2 VAL 11 7.281 19.376 2.053 76 H GLN 12 H GLN 12 8.685 14.341 0.298 77 HA GLN 12 HA GLN 12 7.803 12.523 2.403 78 1HB GLN 12 1HB GLN 12 7.318 12.034 -0.209 79 2HB GLN 12 2HB GLN 12 8.952 11.405 -0.139 80 1HG GLN 12 1HG GLN 12 7.180 10.568 2.117 81 2HG GLN 12 2HG GLN 12 6.710 9.961 0.542 82 1HE2 GLN 12 1HE2 GLN 12 7.564 8.333 2.612 83 2HE2 GLN 12 2HE2 GLN 12 9.068 7.580 2.201 84 H ASP 13 H ASP 13 9.436 12.771 3.911 85 HA ASP 13 HA ASP 13 11.395 12.528 4.817 86 1HB ASP 13 1HB ASP 13 11.477 10.636 2.825 87 2HB ASP 13 2HB ASP 13 12.845 11.626 2.360 88 HD2 ASP 13 HD ASP 13 12.835 8.963 3.352 89 H GLY 14 H GLY 14 10.566 14.722 2.620 90 1HA GLY 14 1HA GLY 14 11.552 16.851 2.535 91 2HA GLY 14 2HA GLY 14 13.138 16.137 2.741 92 H GLN 15 H GLN 15 10.771 14.666 0.532 93 HA GLN 15 HA GLN 15 12.359 15.725 -1.675 94 1HB GLN 15 1HB GLN 15 11.391 12.935 -1.089 95 2HB GLN 15 2HB GLN 15 11.481 13.436 -2.766 96 1HG GLN 15 1HG GLN 15 13.827 13.768 -2.686 97 2HG GLN 15 2HG GLN 15 13.845 13.948 -0.942 98 1HE2 GLN 15 1HE2 GLN 15 14.238 11.866 -3.564 99 2HE2 GLN 15 2HE2 GLN 15 14.377 10.354 -2.730 100 H ARG 16 H ARG 16 11.206 16.968 -3.088 101 HA ARG 16 HA ARG 16 8.378 17.035 -2.765 102 1HB ARG 16 1HB ARG 16 8.485 18.934 -4.359 103 2HB ARG 16 2HB ARG 16 9.697 19.123 -3.107 104 1HG ARG 16 1HG ARG 16 11.079 17.653 -5.026 105 2HG ARG 16 2HG ARG 16 10.048 18.664 -6.019 106 1HD ARG 16 1HD ARG 16 11.243 20.547 -5.527 107 2HD ARG 16 2HD ARG 16 11.239 20.201 -3.809 108 HE ARG 16 HE ARG 16 13.035 18.349 -4.856 109 1HH1 ARG 16 2HH2 ARG 16 12.774 21.881 -4.955 110 2HH1 ARG 16 1HH2 ARG 16 14.483 22.128 -5.084 111 1HH2 ARG 16 1HH ARG 16 15.944 20.228 -5.125 112 H TYR 17 H TYR 17 7.045 15.628 -3.857 113 HA TYR 17 HA TYR 17 7.950 14.729 -6.510 114 1HB TYR 17 1HB TYR 17 6.365 13.470 -4.196 115 2HB TYR 17 2HB TYR 17 6.339 12.757 -5.796 116 HD1 TYR 17 1HD TYR 17 8.581 12.023 -6.827 117 HD2 TYR 17 2HD TYR 17 8.111 12.984 -2.685 118 HE1 TYR 17 1HE TYR 17 10.707 10.740 -6.281 119 HE2 TYR 17 2HE TYR 17 10.240 11.698 -2.153 120 HH TYR 17 HH TYR 17 12.468 11.111 -3.889 121 H ASN 18 H ASN 18 6.154 14.171 -8.039 122 HA ASN 18 HA ASN 18 4.490 16.285 -8.390 123 1HB ASN 18 1HB ASN 18 4.249 13.381 -9.318 124 2HB ASN 18 2HB ASN 18 3.165 14.633 -9.892 125 1HD2 ASN 18 1HD2 ASN 18 3.913 14.302 -11.998 126 2HD2 ASN 18 2HD2 ASN 18 5.426 14.932 -12.559 127 H ASP 19 H ASP 19 1.852 15.516 -8.773 128 HA ASP 19 HA ASP 19 0.939 15.329 -6.103 129 1HB ASP 19 1HB ASP 19 -0.282 15.676 -8.833 130 2HB ASP 19 2HB ASP 19 -1.340 15.098 -7.560 131 HD2 ASP 19 HD ASP 19 -2.452 17.552 -7.000 132 H LYS 20 H LYS 20 0.188 13.441 -9.141 133 HA LYS 20 HA LYS 20 -0.748 11.220 -7.582 134 1HB LYS 20 1HB LYS 20 -1.489 12.188 -9.968 135 2HB LYS 20 2HB LYS 20 -0.310 11.020 -10.528 136 1HG LYS 20 1HG LYS 20 -1.473 9.182 -9.525 137 2HG LYS 20 2HG LYS 20 -2.416 10.231 -8.484 138 1HD LYS 20 1HD LYS 20 -4.059 10.256 -10.043 139 2HD LYS 20 2HD LYS 20 -2.981 11.098 -11.136 140 1HE LYS 20 1HE LYS 20 -3.535 9.180 -12.385 141 2HE LYS 20 2HE LYS 20 -2.005 8.714 -11.669 142 1HZ LYS 20 1HZ LYS 20 -4.693 7.780 -10.976 143 2HZ LYS 20 2HZ LYS 20 -3.310 6.928 -11.085 144 H ASP 21 H ASP 21 2.290 12.411 -8.246 145 HA ASP 21 HA ASP 21 3.853 10.605 -9.284 146 1HB ASP 21 1HB ASP 21 4.187 12.673 -7.461 147 2HB ASP 21 2HB ASP 21 4.759 11.301 -6.535 148 HD2 ASP 21 HD ASP 21 6.506 10.208 -7.338 149 H VAL 22 H VAL 22 4.808 8.541 -8.706 150 HA VAL 22 HA VAL 22 3.616 7.270 -6.340 151 HB VAL 22 HB VAL 22 4.121 6.078 -9.073 152 1HG1 VAL 22 1HG1 VAL 22 4.229 4.771 -6.625 153 2HG1 VAL 22 2HG1 VAL 22 2.563 4.482 -7.178 154 3HG1 VAL 22 3HG1 VAL 22 3.936 4.017 -8.211 155 1HG2 VAL 22 1HG2 VAL 22 2.055 6.743 -9.576 156 2HG2 VAL 22 2HG2 VAL 22 1.431 5.748 -8.239 157 3HG2 VAL 22 3HG2 VAL 22 1.856 7.453 -7.956 158 H TRP 23 H TRP 23 5.011 6.068 -5.045 159 HA TRP 23 HA TRP 23 7.685 5.542 -6.021 160 1HB TRP 23 1HB TRP 23 8.848 6.755 -4.364 161 2HB TRP 23 2HB TRP 23 7.767 7.876 -5.168 162 HD1 TRP 23 HD TRP 23 8.232 6.130 -1.760 163 HE1 TRP 23 1HE TRP 23 6.815 7.318 0.123 164 HE3 TRP 23 3HE TRP 23 5.721 9.254 -4.889 165 HZ2 TRP 23 2HZ TRP 23 4.847 9.385 0.093 166 HZ3 TRP 23 3HZ TRP 23 4.069 10.826 -3.882 167 HH2 TRP 23 HH TRP 23 3.616 10.923 -1.482 168 H LYS 24 H LYS 24 8.663 3.820 -4.821 169 HA LYS 24 HA LYS 24 6.807 2.554 -2.929 170 1HB LYS 24 1HB LYS 24 7.077 1.259 -4.960 171 2HB LYS 24 2HB LYS 24 8.823 1.331 -4.835 172 1HG LYS 24 1HG LYS 24 7.346 0.254 -2.448 173 2HG LYS 24 2HG LYS 24 7.362 -0.754 -3.881 174 1HD LYS 24 1HD LYS 24 10.025 0.367 -3.352 175 2HD LYS 24 2HD LYS 24 9.423 -0.509 -1.958 176 1HE LYS 24 1HE LYS 24 8.849 -2.445 -3.547 177 2HE LYS 24 2HE LYS 24 9.706 -1.576 -4.804 178 1HZ LYS 24 1HZ LYS 24 11.066 -3.232 -3.487 179 2HZ LYS 24 2HZ LYS 24 11.726 -1.747 -3.583 180 HA PRO 25 HA PRO 25 10.138 3.651 -0.243 181 1HB PRO 25 1HB PRO 25 8.669 3.685 2.061 182 2HB PRO 25 2HB PRO 25 8.869 5.088 1.031 183 1HG PRO 25 1HG PRO 25 6.508 3.336 1.338 184 2HG PRO 25 2HG PRO 25 6.597 4.950 0.663 185 1HD PRO 25 1HD PRO 25 6.375 2.491 -0.795 186 2HD PRO 25 2HD PRO 25 6.580 4.094 -1.470 187 H GLU 26 H GLU 26 7.785 1.115 0.322 188 HA GLU 26 HA GLU 26 10.032 -0.451 1.325 189 1HB GLU 26 1HB GLU 26 7.173 -0.306 2.336 190 2HB GLU 26 2HB GLU 26 8.174 -1.707 2.659 191 1HG GLU 26 1HG GLU 26 9.859 -0.318 3.789 192 2HG GLU 26 2HG GLU 26 9.016 1.150 3.333 193 HE2 GLU 26 HE GLU 26 7.024 -1.186 5.929 194 HA PRO 27 HA PRO 27 8.883 -3.300 -1.740 195 1HB PRO 27 1HB PRO 27 9.991 -5.610 -0.786 196 2HB PRO 27 2HB PRO 27 10.916 -4.374 -1.617 197 1HG PRO 27 1HG PRO 27 10.836 -5.002 1.271 198 2HG PRO 27 2HG PRO 27 12.036 -4.088 0.379 199 1HD PRO 27 1HD PRO 27 9.979 -3.026 2.072 200 2HD PRO 27 2HD PRO 27 11.105 -2.109 1.090 201 H CYS 28 H CYS 28 7.616 -3.421 1.335 202 HA CYS 28 HA CYS 28 5.706 -5.450 0.426 203 1HB CYS 28 1HB CYS 28 7.297 -5.628 2.632 204 2HB CYS 28 2HB CYS 28 5.866 -4.885 3.319 205 H ARG 29 H ARG 29 6.312 -2.161 0.974 206 HA ARG 29 HA ARG 29 3.460 -1.703 1.239 207 1HB ARG 29 1HB ARG 29 5.142 -1.217 3.344 208 2HB ARG 29 2HB ARG 29 5.292 0.314 2.504 209 1HG ARG 29 1HG ARG 29 3.397 0.890 3.647 210 2HG ARG 29 2HG ARG 29 2.563 -0.030 2.411 211 1HD ARG 29 1HD ARG 29 1.872 -1.549 3.951 212 2HD ARG 29 2HD ARG 29 3.528 -1.889 4.409 213 HE ARG 29 HE ARG 29 1.671 -0.059 5.774 214 1HH1 ARG 29 2HH2 ARG 29 5.054 -1.031 5.376 215 2HH1 ARG 29 1HH2 ARG 29 5.554 -0.364 6.894 216 1HH2 ARG 29 1HH ARG 29 3.936 0.721 8.289 217 H ILE 30 H ILE 30 2.689 -0.252 -0.299 218 HA ILE 30 HA ILE 30 4.738 1.237 -1.787 219 HB ILE 30 HB ILE 30 3.647 -0.564 -3.048 220 1HG1 ILE 30 1HG1 ILE 30 2.979 2.245 -3.975 221 2HG1 ILE 30 2HG1 ILE 30 4.507 1.416 -4.200 222 1HG2 ILE 30 1HG2 ILE 30 1.459 -0.408 -1.797 223 2HG2 ILE 30 2HG2 ILE 30 1.075 1.007 -2.808 224 3HG2 ILE 30 3HG2 ILE 30 1.333 -0.582 -3.565 225 1HD1 ILE 30 1HD1 ILE 30 1.846 0.360 -5.256 226 2HD1 ILE 30 2HD1 ILE 30 2.991 1.323 -6.218 227 3HD1 ILE 30 3HD1 ILE 30 3.467 -0.281 -5.614 228 H CYS 31 H CYS 31 4.553 3.441 -1.941 229 HA CYS 31 HA CYS 31 2.177 4.567 -0.648 230 1HB CYS 31 1HB CYS 31 5.064 5.358 -0.579 231 2HB CYS 31 2HB CYS 31 3.835 6.596 -0.408 232 H VAL 32 H VAL 32 1.132 6.330 -1.732 233 HA VAL 32 HA VAL 32 2.290 7.286 -4.201 234 HB VAL 32 HB VAL 32 1.249 5.364 -5.072 235 1HG1 VAL 32 1HG1 VAL 32 -0.435 5.530 -2.831 236 2HG1 VAL 32 2HG1 VAL 32 -1.510 5.709 -4.239 237 3HG1 VAL 32 3HG1 VAL 32 -0.450 4.285 -4.103 238 1HG2 VAL 32 1HG2 VAL 32 0.137 7.986 -5.602 239 2HG2 VAL 32 2HG2 VAL 32 0.498 6.657 -6.730 240 3HG2 VAL 32 3HG2 VAL 32 -1.075 6.716 -5.899 241 H CYS 33 H CYS 33 1.991 9.451 -4.214 242 HA CYS 33 HA CYS 33 0.265 10.614 -2.284 243 1HB CYS 33 1HB CYS 33 2.454 11.566 -2.974 244 2HB CYS 33 2HB CYS 33 1.776 11.932 -4.549 245 H ASP 34 H ASP 34 -1.878 11.169 -2.563 246 HA ASP 34 HA ASP 34 -2.843 11.104 -5.313 247 1HB ASP 34 1HB ASP 34 -3.886 9.321 -4.083 248 2HB ASP 34 2HB ASP 34 -4.130 10.329 -2.671 249 HD2 ASP 34 HD ASP 34 -6.283 8.920 -3.955 250 H THR 35 H THR 35 -2.805 13.342 -5.833 251 HA THR 35 HA THR 35 -3.357 15.495 -5.791 252 HB THR 35 HB THR 35 -5.621 14.418 -4.029 253 HG1 THR 35 1HG THR 35 -5.377 15.184 -6.851 254 1HG2 THR 35 1HG2 THR 35 -6.176 16.645 -3.821 255 2HG2 THR 35 2HG2 THR 35 -4.992 17.141 -5.053 256 3HG2 THR 35 3HG2 THR 35 -6.593 16.539 -5.547 257 H GLY 36 H GLY 36 -1.521 14.269 -3.708 258 1HA GLY 36 1HA GLY 36 -0.156 15.769 -2.422 259 2HA GLY 36 2HA GLY 36 -1.608 16.577 -1.865 260 H THR 37 H THR 37 -2.875 13.664 -1.782 261 HA THR 37 HA THR 37 -2.146 13.240 0.990 262 HB THR 37 HB THR 37 -4.176 11.833 -0.824 263 HG1 THR 37 1HG THR 37 -4.507 14.162 -0.614 264 1HG2 THR 37 1HG2 THR 37 -4.764 12.262 2.045 265 2HG2 THR 37 2HG2 THR 37 -4.948 10.784 1.068 266 3HG2 THR 37 3HG2 THR 37 -3.370 11.187 1.787 267 H VAL 38 H VAL 38 -0.380 12.113 1.502 268 HA VAL 38 HA VAL 38 0.593 10.135 -0.371 269 HB VAL 38 HB VAL 38 1.632 11.219 2.253 270 1HG1 VAL 38 1HG1 VAL 38 2.876 9.219 0.338 271 2HG1 VAL 38 2HG1 VAL 38 3.764 10.062 1.629 272 3HG1 VAL 38 3HG1 VAL 38 2.433 8.955 2.042 273 1HG2 VAL 38 1HG2 VAL 38 1.974 12.950 0.784 274 2HG2 VAL 38 2HG2 VAL 38 3.457 12.008 0.495 275 3HG2 VAL 38 3HG2 VAL 38 2.085 11.877 -0.632 276 H LEU 39 H LEU 39 -0.865 8.408 -0.348 277 HA LEU 39 HA LEU 39 -1.320 7.194 2.283 278 1HB LEU 39 1HB LEU 39 -3.402 6.805 1.670 279 2HB LEU 39 2HB LEU 39 -3.117 7.912 0.342 280 HG LEU 39 HG LEU 39 -2.267 5.749 -0.903 281 1HD1 LEU 39 1HD1 LEU 39 -2.838 3.715 -0.116 282 2HD1 LEU 39 2HD1 LEU 39 -2.779 4.543 1.458 283 3HD1 LEU 39 3HD1 LEU 39 -4.341 4.300 0.637 284 1HD2 LEU 39 1HD2 LEU 39 -4.349 5.579 -1.967 285 2HD2 LEU 39 2HD2 LEU 39 -5.244 6.024 -0.494 286 3HD2 LEU 39 3HD2 LEU 39 -4.288 7.251 -1.360 287 H CYS 40 H CYS 40 -1.065 4.869 2.501 288 HA CYS 40 HA CYS 40 0.702 3.768 0.439 289 1HB CYS 40 1HB CYS 40 1.381 4.364 3.103 290 2HB CYS 40 2HB CYS 40 1.183 2.624 3.051 291 H ASP 41 H ASP 41 -0.025 1.813 -0.373 292 HA ASP 41 HA ASP 41 -2.275 0.642 1.045 293 1HB ASP 41 1HB ASP 41 -1.322 0.444 -1.845 294 2HB ASP 41 2HB ASP 41 -2.592 -0.579 -1.206 295 HD2 ASP 41 HD ASP 41 -5.013 1.502 -1.746 296 H ASP 42 H ASP 42 -2.266 -1.699 1.423 297 HA ASP 42 HA ASP 42 0.268 -2.727 1.962 298 1HB ASP 42 1HB ASP 42 -0.879 -4.561 2.883 299 2HB ASP 42 2HB ASP 42 -2.073 -3.283 2.999 300 HD2 ASP 42 HD ASP 42 -2.979 -3.257 0.496 301 H ILE 43 H ILE 43 1.202 -4.771 0.992 302 HA ILE 43 HA ILE 43 0.453 -5.005 -1.839 303 HB ILE 43 HB ILE 43 3.114 -5.361 -0.460 304 1HG1 ILE 43 1HG1 ILE 43 2.237 -3.380 -2.583 305 2HG1 ILE 43 2HG1 ILE 43 2.352 -3.022 -0.871 306 1HG2 ILE 43 1HG2 ILE 43 2.621 -7.056 -2.282 307 2HG2 ILE 43 2HG2 ILE 43 2.577 -5.685 -3.417 308 3HG2 ILE 43 3HG2 ILE 43 4.068 -6.044 -2.512 309 1HD1 ILE 43 1HD1 ILE 43 4.549 -3.529 -2.860 310 2HD1 ILE 43 2HD1 ILE 43 4.462 -2.329 -1.549 311 3HD1 ILE 43 3HD1 ILE 43 4.825 -4.030 -1.174 312 H ILE 44 H ILE 44 -1.028 -6.663 -1.863 313 HA ILE 44 HA ILE 44 -0.126 -9.156 -0.593 314 HB ILE 44 HB ILE 44 -2.642 -9.667 -0.594 315 1HG1 ILE 44 1HG1 ILE 44 -2.892 -6.654 -0.581 316 2HG1 ILE 44 2HG1 ILE 44 -3.134 -7.605 -2.034 317 1HG2 ILE 44 1HG2 ILE 44 -2.913 -8.630 1.607 318 2HG2 ILE 44 2HG2 ILE 44 -1.296 -9.353 1.420 319 3HG2 ILE 44 3HG2 ILE 44 -1.502 -7.589 1.296 320 1HD1 ILE 44 1HD1 ILE 44 -4.806 -7.474 0.456 321 2HD1 ILE 44 2HD1 ILE 44 -5.311 -7.597 -1.246 322 3HD1 ILE 44 3HD1 ILE 44 -4.720 -9.039 -0.387 323 H CYS 45 H CYS 45 0.661 -10.500 -2.120 324 HA CYS 45 HA CYS 45 -0.365 -10.243 -4.814 325 1HB CYS 45 1HB CYS 45 1.572 -11.139 -5.541 326 2HB CYS 45 2HB CYS 45 2.139 -10.512 -4.006 327 H GLU 46 H GLU 46 -0.638 -12.537 -5.972 328 HA GLU 46 HA GLU 46 -2.441 -14.013 -4.249 329 1HB GLU 46 1HB GLU 46 -2.197 -13.577 -7.213 330 2HB GLU 46 2HB GLU 46 -2.899 -15.093 -6.682 331 1HG GLU 46 1HG GLU 46 -4.054 -12.981 -5.086 332 2HG GLU 46 2HG GLU 46 -4.131 -12.486 -6.765 333 HE2 GLU 46 HE GLU 46 -5.090 -15.153 -4.662 334 H ASP 47 H ASP 47 -2.514 -16.497 -4.692 335 HA ASP 47 HA ASP 47 -0.163 -17.680 -5.666 336 1HB ASP 47 1HB ASP 47 0.585 -18.691 -3.495 337 2HB ASP 47 2HB ASP 47 0.810 -16.955 -3.550 338 HD2 ASP 47 HD ASP 47 -1.329 -15.824 -2.395 339 H VAL 48 H VAL 48 -0.244 -20.200 -4.673 340 HA VAL 48 HA VAL 48 -3.008 -20.996 -5.121 341 HB VAL 48 HB VAL 48 -0.365 -22.455 -5.149 342 1HG1 VAL 48 1HG1 VAL 48 -2.397 -24.090 -6.256 343 2HG1 VAL 48 2HG1 VAL 48 -1.433 -24.377 -4.786 344 3HG1 VAL 48 3HG1 VAL 48 -2.994 -23.530 -4.675 345 1HG2 VAL 48 1HG2 VAL 48 -0.348 -22.126 -7.365 346 2HG2 VAL 48 2HG2 VAL 48 -2.062 -22.583 -7.527 347 3HG2 VAL 48 3HG2 VAL 48 -1.622 -20.914 -7.089 348 H LYS 49 H LYS 49 -0.896 -23.156 -3.354 349 HA LYS 49 HA LYS 49 -1.804 -22.303 -0.773 350 1HB LYS 49 1HB LYS 49 -3.406 -24.165 -2.257 351 2HB LYS 49 2HB LYS 49 -2.676 -25.011 -0.908 352 1HG LYS 49 1HG LYS 49 -3.921 -22.285 -0.457 353 2HG LYS 49 2HG LYS 49 -4.955 -23.695 -0.573 354 1HD LYS 49 1HD LYS 49 -4.020 -24.710 1.359 355 2HD LYS 49 2HD LYS 49 -2.549 -23.762 1.269 356 1HE LYS 49 1HE LYS 49 -4.395 -21.749 1.560 357 2HE LYS 49 2HE LYS 49 -5.208 -23.035 2.430 358 1HZ LYS 49 1HZ LYS 49 -3.824 -22.591 4.126 359 2HZ LYS 49 2HZ LYS 49 -2.558 -23.120 3.248 360 H ASP 50 H ASP 50 -1.088 -25.652 -1.855 361 HA ASP 50 HA ASP 50 1.345 -25.446 -0.292 362 1HB ASP 50 1HB ASP 50 -0.588 -27.613 -0.980 363 2HB ASP 50 2HB ASP 50 1.091 -28.114 -0.970 364 HD2 ASP 50 HD ASP 50 2.057 -26.795 1.188 365 H CYS 51 H CYS 51 2.701 -24.451 -1.946 366 HA CYS 51 HA CYS 51 2.946 -25.949 -4.434 367 1HB CYS 51 1HB CYS 51 4.427 -23.916 -5.029 368 2HB CYS 51 2HB CYS 51 2.682 -23.752 -5.023 369 H LEU 52 H LEU 52 5.531 -25.615 -5.185 370 HA LEU 52 HA LEU 52 6.949 -27.479 -3.824 371 1HB LEU 52 1HB LEU 52 7.454 -25.466 -5.847 372 2HB LEU 52 2HB LEU 52 8.862 -25.709 -4.832 373 HG LEU 52 HG LEU 52 7.383 -27.935 -6.262 374 1HD1 LEU 52 1HD1 LEU 52 8.291 -26.961 -8.088 375 2HD1 LEU 52 2HD1 LEU 52 9.535 -26.096 -7.153 376 3HD1 LEU 52 3HD1 LEU 52 9.747 -27.822 -7.535 377 1HD2 LEU 52 1HD2 LEU 52 10.188 -28.187 -5.265 378 2HD2 LEU 52 2HD2 LEU 52 8.854 -28.291 -4.091 379 3HD2 LEU 52 3HD2 LEU 52 8.922 -29.422 -5.464 380 H SER 53 H SER 53 8.353 -24.188 -3.721 381 HA SER 53 HA SER 53 8.291 -24.371 -0.820 382 1HB SER 53 1HB SER 53 10.690 -23.397 -0.899 383 2HB SER 53 2HB SER 53 10.498 -25.106 -1.238 384 HG SER 53 HG SER 53 11.795 -24.379 -2.888 385 HA PRO 54 HA PRO 54 7.121 -20.199 -1.324 386 1HB PRO 54 1HB PRO 54 7.234 -19.370 1.278 387 2HB PRO 54 2HB PRO 54 5.870 -20.244 0.609 388 1HG PRO 54 1HG PRO 54 7.998 -21.226 2.412 389 2HG PRO 54 2HG PRO 54 6.429 -21.932 2.078 390 1HD PRO 54 1HD PRO 54 8.959 -22.808 1.049 391 2HD PRO 54 2HD PRO 54 7.380 -23.440 0.626 392 H GLU 55 H GLU 55 8.186 -18.603 -2.292 393 HA GLU 55 HA GLU 55 10.447 -17.584 -0.847 394 1HB GLU 55 1HB GLU 55 10.823 -19.449 -2.980 395 2HB GLU 55 2HB GLU 55 11.282 -17.879 -3.609 396 1HG GLU 55 1HG GLU 55 12.687 -17.555 -1.482 397 2HG GLU 55 2HG GLU 55 12.364 -19.233 -1.099 398 HE2 GLU 55 HE GLU 55 15.331 -19.704 -2.764 399 H ILE 56 H ILE 56 10.774 -15.372 -1.246 400 HA ILE 56 HA ILE 56 8.649 -14.052 -2.593 401 HB ILE 56 HB ILE 56 10.501 -13.456 -0.603 402 1HG1 ILE 56 1HG1 ILE 56 8.835 -11.268 -1.751 403 2HG1 ILE 56 2HG1 ILE 56 7.999 -12.725 -1.250 404 1HG2 ILE 56 1HG2 ILE 56 11.472 -11.303 -1.366 405 2HG2 ILE 56 2HG2 ILE 56 12.150 -12.723 -2.198 406 3HG2 ILE 56 3HG2 ILE 56 10.956 -11.694 -3.024 407 1HD1 ILE 56 1HD1 ILE 56 9.041 -10.609 0.402 408 2HD1 ILE 56 2HD1 ILE 56 8.138 -12.058 0.905 409 3HD1 ILE 56 3HD1 ILE 56 9.914 -12.108 0.800 410 HA PRO 57 HA PRO 57 10.672 -14.211 -6.472 411 1HB PRO 57 1HB PRO 57 8.557 -13.354 -7.974 412 2HB PRO 57 2HB PRO 57 8.805 -15.033 -7.539 413 1HG PRO 57 1HG PRO 57 6.860 -13.100 -6.436 414 2HG PRO 57 2HG PRO 57 6.848 -14.849 -6.333 415 1HD PRO 57 1HD PRO 57 7.593 -13.013 -4.260 416 2HD PRO 57 2HD PRO 57 7.691 -14.761 -4.196 417 H PHE 58 H PHE 58 12.280 -12.816 -6.809 418 HA PHE 58 HA PHE 58 13.283 -10.834 -6.894 419 1HB PHE 58 1HB PHE 58 11.866 -11.245 -9.097 420 2HB PHE 58 2HB PHE 58 10.780 -10.021 -8.468 421 HD1 PHE 58 1HD PHE 58 14.196 -10.632 -9.704 422 HD2 PHE 58 2HD PHE 58 11.351 -7.704 -8.550 423 HE1 PHE 58 1HE PHE 58 15.638 -8.837 -10.704 424 HE2 PHE 58 2HE PHE 58 12.793 -5.908 -9.549 425 HZ PHE 58 HZ PHE 58 14.920 -6.497 -10.613 426 H GLY 59 H GLY 59 13.045 -10.216 -4.643 427 1HA GLY 59 1HA GLY 59 12.100 -9.080 -2.891 428 2HA GLY 59 2HA GLY 59 12.388 -7.755 -4.001 429 H GLU 60 H GLU 60 9.959 -9.983 -2.658 430 HA GLU 60 HA GLU 60 7.924 -8.253 -3.834 431 1HB GLU 60 1HB GLU 60 8.060 -11.245 -3.568 432 2HB GLU 60 2HB GLU 60 6.490 -10.491 -3.372 433 1HG GLU 60 1HG GLU 60 8.203 -9.671 -5.725 434 2HG GLU 60 2HG GLU 60 7.374 -11.215 -5.788 435 HE2 GLU 60 HE GLU 60 5.725 -7.802 -6.431 436 H CYS 61 H CYS 61 5.694 -9.087 -2.372 437 HA CYS 61 HA CYS 61 6.511 -8.291 0.320 438 1HB CYS 61 1HB CYS 61 4.996 -6.758 -0.893 439 2HB CYS 61 2HB CYS 61 3.806 -8.039 -1.011 440 H CYS 62 H CYS 62 5.334 -10.864 -1.683 441 HA CYS 62 HA CYS 62 4.312 -12.264 0.677 442 1HB CYS 62 1HB CYS 62 3.098 -13.715 -0.864 443 2HB CYS 62 2HB CYS 62 2.623 -12.036 -1.021 444 HA PRO 63 HA PRO 63 8.187 -14.330 -0.118 445 1HB PRO 63 1HB PRO 63 8.616 -15.188 2.441 446 2HB PRO 63 2HB PRO 63 9.179 -13.640 1.842 447 1HG PRO 63 1HG PRO 63 6.904 -14.216 3.639 448 2HG PRO 63 2HG PRO 63 7.734 -12.696 3.372 449 1HD PRO 63 1HD PRO 63 5.174 -13.459 2.327 450 2HD PRO 63 2HD PRO 63 6.057 -11.989 1.967 451 H ILE 64 H ILE 64 6.126 -15.496 -1.239 452 HA ILE 64 HA ILE 64 6.501 -18.237 -0.321 453 HB ILE 64 HB ILE 64 4.261 -18.745 -0.126 454 1HG1 ILE 64 1HG1 ILE 64 3.774 -16.282 -1.777 455 2HG1 ILE 64 2HG1 ILE 64 3.242 -17.930 -2.051 456 1HG2 ILE 64 1HG2 ILE 64 5.049 -17.423 1.771 457 2HG2 ILE 64 2HG2 ILE 64 4.513 -15.929 0.967 458 3HG2 ILE 64 3HG2 ILE 64 3.317 -17.147 1.470 459 1HD1 ILE 64 1HD1 ILE 64 2.208 -15.999 0.070 460 2HD1 ILE 64 2HD1 ILE 64 1.314 -16.659 -1.320 461 3HD1 ILE 64 3HD1 ILE 64 1.781 -17.726 0.027 462 H CYS 65 H CYS 65 5.205 -19.699 -2.092 463 HA CYS 65 HA CYS 65 6.300 -18.744 -4.616 464 1HB CYS 65 1HB CYS 65 5.783 -21.217 -5.251 465 2HB CYS 65 2HB CYS 65 7.199 -20.813 -4.301 466 HA PRO 66 HA PRO 66 2.084 -18.019 -5.680 467 1HB PRO 66 1HB PRO 66 2.541 -16.751 -8.057 468 2HB PRO 66 2HB PRO 66 2.544 -15.922 -6.513 469 1HG PRO 66 1HG PRO 66 4.841 -16.686 -8.210 470 2HG PRO 66 2HG PRO 66 4.778 -15.512 -6.911 471 1HD PRO 66 1HD PRO 66 5.900 -18.150 -6.789 472 2HD PRO 66 2HD PRO 66 5.733 -17.019 -5.460 473 H ALA 67 H ALA 67 0.893 -18.095 -8.095 474 HA ALA 67 HA ALA 67 1.247 -20.926 -8.689 475 1HB ALA 67 1HB ALA 67 -0.979 -19.362 -8.254 476 2HB ALA 67 2HB ALA 67 -0.906 -19.410 -10.031 477 3HB ALA 67 3HB ALA 67 -0.983 -20.926 -9.103 478 H ASP 68 H ASP 68 3.436 -19.473 -9.540 479 HA ASP 68 HA ASP 68 2.886 -19.145 -12.384 480 1HB ASP 68 1HB ASP 68 4.788 -17.801 -10.467 481 2HB ASP 68 2HB ASP 68 5.306 -17.979 -12.132 482 HD2 ASP 68 HD ASP 68 3.469 -14.841 -11.359 483 H LEU 69 H LEU 69 5.177 -20.344 -9.848 484 HA LEU 69 HA LEU 69 7.179 -21.403 -11.279 485 1HB LEU 69 1HB LEU 69 5.854 -22.003 -8.742 486 2HB LEU 69 2HB LEU 69 6.662 -23.394 -9.439 487 HG LEU 69 HG LEU 69 8.161 -20.805 -9.270 488 1HD1 LEU 69 1HD1 LEU 69 7.443 -22.570 -6.936 489 2HD1 LEU 69 2HD1 LEU 69 8.951 -21.623 -6.962 490 3HD1 LEU 69 3HD1 LEU 69 7.378 -20.796 -7.072 491 1HD2 LEU 69 1HD2 LEU 69 9.148 -23.612 -8.769 492 2HD2 LEU 69 2HD2 LEU 69 9.000 -22.930 -10.406 493 3HD2 LEU 69 3HD2 LEU 69 10.078 -22.162 -9.215 494 H ALA 70 H ALA 70 7.644 -23.654 -12.041 495 HA ALA 70 HA ALA 70 5.750 -24.410 -13.961 496 1HB ALA 70 1HB ALA 70 7.419 -26.568 -13.744 497 2HB ALA 70 2HB ALA 70 7.817 -25.081 -14.639 498 3HB ALA 70 3HB ALA 70 8.405 -25.301 -12.973 499 H ALA 71 H ALA 71 6.493 -25.547 -10.639 500 HA ALA 71 HA ALA 71 5.028 -27.903 -10.702 501 1HB ALA 71 1HB ALA 71 6.006 -27.937 -8.680 502 2HB ALA 71 2HB ALA 71 6.357 -26.195 -8.781 503 3HB ALA 71 3HB ALA 71 4.802 -26.752 -8.117 504 H ALA 72 H ALA 72 3.950 -24.863 -9.033 505 HA ALA 72 HA ALA 72 1.951 -23.947 -8.803 506 1HB ALA 72 1HB ALA 72 0.993 -25.328 -11.315 507 2HB ALA 72 2HB ALA 72 0.622 -23.691 -10.718 508 3HB ALA 72 3HB ALA 72 2.227 -24.047 -11.401 509 H ALA 73 H ALA 73 2.350 -26.109 -7.209 510 HA ALA 73 HA ALA 73 1.355 -27.706 -6.042 511 1HB ALA 73 1HB ALA 73 -1.220 -26.456 -7.080 512 2HB ALA 73 2HB ALA 73 -1.017 -27.410 -5.591 513 3HB ALA 73 3HB ALA 73 -0.256 -25.808 -5.732 Start of MODEL 10 1 1H TYR 1 H TYR 1 -3.207 16.848 12.105 2 HA TYR 1 HA TYR 1 -4.921 15.215 10.729 3 1HB TYR 1 1HB TYR 1 -6.504 14.542 12.543 4 2HB TYR 1 2HB TYR 1 -4.911 13.915 12.919 5 HD1 TYR 1 1HD TYR 1 -3.411 15.469 14.455 6 HD2 TYR 1 2HD TYR 1 -7.674 15.722 14.179 7 HE1 TYR 1 1HE TYR 1 -3.496 16.627 16.716 8 HE2 TYR 1 2HE TYR 1 -7.744 16.879 16.442 9 HH TYR 1 HH TYR 1 -6.005 18.349 17.765 10 H VAL 2 H VAL 2 -4.337 17.737 10.221 11 HA VAL 2 HA VAL 2 -6.765 19.154 11.024 12 HB VAL 2 HB VAL 2 -5.463 21.221 11.283 13 1HG1 VAL 2 1HG1 VAL 2 -4.333 19.127 13.153 14 2HG1 VAL 2 2HG1 VAL 2 -4.755 20.821 13.502 15 3HG1 VAL 2 3HG1 VAL 2 -6.041 19.628 13.203 16 1HG2 VAL 2 1HG2 VAL 2 -3.026 19.418 11.092 17 2HG2 VAL 2 2HG2 VAL 2 -3.529 20.628 9.888 18 3HG2 VAL 2 3HG2 VAL 2 -3.021 21.147 11.513 19 H GLU 3 H GLU 3 -6.901 21.259 9.530 20 HA GLU 3 HA GLU 3 -7.002 20.240 6.924 21 1HB GLU 3 1HB GLU 3 -7.401 23.030 8.073 22 2HB GLU 3 2HB GLU 3 -7.622 22.677 6.370 23 1HG GLU 3 1HG GLU 3 -9.784 22.240 7.015 24 2HG GLU 3 2HG GLU 3 -9.130 20.665 7.417 25 HE2 GLU 3 HE GLU 3 -10.929 23.081 8.908 26 H PHE 4 H PHE 4 -6.064 21.659 5.002 27 HA PHE 4 HA PHE 4 -3.405 22.640 5.665 28 1HB PHE 4 1HB PHE 4 -4.133 20.095 4.402 29 2HB PHE 4 2HB PHE 4 -3.315 21.092 3.216 30 HD1 PHE 4 1HD PHE 4 -2.917 18.972 6.073 31 HD2 PHE 4 2HD PHE 4 -1.016 22.008 3.797 32 HE1 PHE 4 1HE PHE 4 -0.700 18.317 7.050 33 HE2 PHE 4 2HE PHE 4 1.202 21.351 4.774 34 HZ PHE 4 HZ PHE 4 1.333 19.514 6.389 35 H GLN 5 H GLN 5 -3.341 24.668 4.828 36 HA GLN 5 HA GLN 5 -5.153 25.464 2.847 37 1HB GLN 5 1HB GLN 5 -3.502 26.726 4.713 38 2HB GLN 5 2HB GLN 5 -2.778 27.185 3.183 39 1HG GLN 5 1HG GLN 5 -4.731 28.281 2.426 40 2HG GLN 5 2HG GLN 5 -5.784 27.366 3.488 41 1HE2 GLN 5 1HE2 GLN 5 -6.196 28.043 5.513 42 2HE2 GLN 5 2HE2 GLN 5 -5.610 29.515 6.212 43 H GLU 6 H GLU 6 -1.699 24.480 2.852 44 HA GLU 6 HA GLU 6 -1.507 25.074 0.046 45 1HB GLU 6 1HB GLU 6 0.425 24.145 2.182 46 2HB GLU 6 2HB GLU 6 0.860 23.976 0.492 47 1HG GLU 6 1HG GLU 6 0.007 26.547 0.416 48 2HG GLU 6 2HG GLU 6 0.452 26.481 2.110 49 HE2 GLU 6 HE GLU 6 2.110 26.289 -1.122 50 H ALA 7 H ALA 7 -1.489 23.553 -1.626 51 HA ALA 7 HA ALA 7 -1.459 20.739 -0.905 52 1HB ALA 7 1HB ALA 7 -3.550 20.276 -2.062 53 2HB ALA 7 2HB ALA 7 -3.848 21.483 -0.788 54 3HB ALA 7 3HB ALA 7 -3.736 21.995 -2.490 55 H GLY 8 H GLY 8 -1.045 19.355 -2.793 56 1HA GLY 8 1HA GLY 8 -0.815 19.874 -5.376 57 2HA GLY 8 2HA GLY 8 0.555 20.782 -4.773 58 H SER 9 H SER 9 2.233 19.621 -3.476 59 HA SER 9 HA SER 9 2.377 16.864 -4.397 60 1HB SER 9 1HB SER 9 4.846 17.107 -4.024 61 2HB SER 9 2HB SER 9 4.214 18.232 -5.210 62 HG SER 9 HG SER 9 4.324 19.079 -2.482 63 H CYS 10 H CYS 10 3.927 15.508 -2.775 64 HA CYS 10 HA CYS 10 2.885 16.038 -0.088 65 1HB CYS 10 1HB CYS 10 3.525 13.371 -1.364 66 2HB CYS 10 2HB CYS 10 3.018 13.607 0.296 67 H VAL 11 H VAL 11 4.389 15.635 1.690 68 HA VAL 11 HA VAL 11 7.171 15.832 0.806 69 HB VAL 11 HB VAL 11 5.908 17.533 2.324 70 1HG1 VAL 11 1HG1 VAL 11 6.825 15.611 4.475 71 2HG1 VAL 11 2HG1 VAL 11 5.870 17.102 4.654 72 3HG1 VAL 11 3HG1 VAL 11 5.146 15.668 3.887 73 1HG2 VAL 11 1HG2 VAL 11 7.949 18.326 3.014 74 2HG2 VAL 11 2HG2 VAL 11 8.536 16.719 3.504 75 3HG2 VAL 11 3HG2 VAL 11 8.481 17.161 1.780 76 H GLN 12 H GLN 12 8.242 13.928 0.732 77 HA GLN 12 HA GLN 12 7.562 12.009 2.824 78 1HB GLN 12 1HB GLN 12 7.385 11.656 0.060 79 2HB GLN 12 2HB GLN 12 8.925 10.914 0.444 80 1HG GLN 12 1HG GLN 12 6.185 10.220 1.571 81 2HG GLN 12 2HG GLN 12 7.280 9.177 0.684 82 1HE2 GLN 12 1HE2 GLN 12 6.127 8.570 3.164 83 2HE2 GLN 12 2HE2 GLN 12 7.370 8.423 4.363 84 H ASP 13 H ASP 13 9.123 12.360 4.385 85 HA ASP 13 HA ASP 13 11.073 12.260 5.337 86 1HB ASP 13 1HB ASP 13 11.406 10.505 3.232 87 2HB ASP 13 2HB ASP 13 12.693 11.648 2.903 88 HD2 ASP 13 HD ASP 13 11.685 9.177 5.020 89 H GLY 14 H GLY 14 10.081 14.453 3.192 90 1HA GLY 14 1HA GLY 14 10.836 16.679 3.250 91 2HA GLY 14 2HA GLY 14 12.484 16.125 3.472 92 H GLN 15 H GLN 15 10.356 14.514 1.126 93 HA GLN 15 HA GLN 15 11.864 15.856 -0.982 94 1HB GLN 15 1HB GLN 15 11.221 12.944 -0.555 95 2HB GLN 15 2HB GLN 15 11.303 13.536 -2.202 96 1HG GLN 15 1HG GLN 15 13.571 13.580 -2.141 97 2HG GLN 15 2HG GLN 15 13.561 14.594 -0.712 98 1HE2 GLN 15 1HE2 GLN 15 13.986 11.458 -1.999 99 2HE2 GLN 15 2HE2 GLN 15 14.350 10.601 -0.538 100 H ARG 16 H ARG 16 10.640 16.907 -2.502 101 HA ARG 16 HA ARG 16 7.814 16.742 -2.196 102 1HB ARG 16 1HB ARG 16 9.175 18.884 -2.652 103 2HB ARG 16 2HB ARG 16 9.388 18.311 -4.294 104 1HG ARG 16 1HG ARG 16 6.633 18.024 -3.896 105 2HG ARG 16 2HG ARG 16 6.998 19.492 -3.013 106 1HD ARG 16 1HD ARG 16 8.431 19.553 -5.536 107 2HD ARG 16 2HD ARG 16 6.755 19.159 -5.857 108 HE ARG 16 HE ARG 16 7.121 21.387 -3.972 109 1HH1 ARG 16 2HH2 ARG 16 6.733 20.474 -7.373 110 2HH1 ARG 16 1HH2 ARG 16 6.176 22.041 -7.859 111 1HH2 ARG 16 1HH ARG 16 5.980 23.778 -6.219 112 H TYR 17 H TYR 17 6.644 15.156 -3.232 113 HA TYR 17 HA TYR 17 7.591 14.335 -5.896 114 1HB TYR 17 1HB TYR 17 6.320 12.895 -3.499 115 2HB TYR 17 2HB TYR 17 6.279 12.168 -5.093 116 HD1 TYR 17 1HD TYR 17 8.599 11.887 -6.297 117 HD2 TYR 17 2HD TYR 17 8.138 12.487 -2.087 118 HE1 TYR 17 1HE TYR 17 10.906 10.896 -5.897 119 HE2 TYR 17 2HE TYR 17 10.446 11.494 -1.700 120 HH TYR 17 HH TYR 17 12.694 11.228 -3.961 121 H ASN 18 H ASN 18 6.158 14.549 -7.557 122 HA ASN 18 HA ASN 18 3.893 16.001 -7.291 123 1HB ASN 18 1HB ASN 18 5.030 14.155 -9.353 124 2HB ASN 18 2HB ASN 18 3.306 14.431 -9.500 125 1HD2 ASN 18 1HD2 ASN 18 3.844 15.456 -11.502 126 2HD2 ASN 18 2HD2 ASN 18 4.352 17.111 -11.549 127 H ASP 19 H ASP 19 1.552 15.151 -7.885 128 HA ASP 19 HA ASP 19 0.867 13.243 -5.945 129 1HB ASP 19 1HB ASP 19 -1.431 13.456 -7.285 130 2HB ASP 19 2HB ASP 19 -0.857 14.765 -6.270 131 HD2 ASP 19 HD ASP 19 -1.390 14.472 -9.987 132 H LYS 20 H LYS 20 0.165 13.337 -9.530 133 HA LYS 20 HA LYS 20 -0.555 10.731 -9.844 134 1HB LYS 20 1HB LYS 20 -0.887 12.338 -11.587 135 2HB LYS 20 2HB LYS 20 0.832 12.642 -11.738 136 1HG LYS 20 1HG LYS 20 1.093 10.145 -12.342 137 2HG LYS 20 2HG LYS 20 -0.654 10.079 -12.457 138 1HD LYS 20 1HD LYS 20 0.955 12.158 -13.992 139 2HD LYS 20 2HD LYS 20 0.688 10.552 -14.640 140 1HE LYS 20 1HE LYS 20 -1.752 11.944 -13.606 141 2HE LYS 20 2HE LYS 20 -1.026 12.656 -15.033 142 1HZ LYS 20 1HZ LYS 20 -1.870 10.984 -16.247 143 2HZ LYS 20 2HZ LYS 20 -1.122 9.850 -15.350 144 H ASP 21 H ASP 21 2.616 12.059 -9.154 145 HA ASP 21 HA ASP 21 4.136 9.996 -10.214 146 1HB ASP 21 1HB ASP 21 4.490 12.177 -8.199 147 2HB ASP 21 2HB ASP 21 5.602 10.833 -8.035 148 HD2 ASP 21 HD ASP 21 7.058 12.898 -8.750 149 H VAL 22 H VAL 22 5.118 8.134 -9.080 150 HA VAL 22 HA VAL 22 3.940 7.502 -6.483 151 HB VAL 22 HB VAL 22 3.915 5.707 -8.918 152 1HG1 VAL 22 1HG1 VAL 22 2.811 5.047 -6.178 153 2HG1 VAL 22 2HG1 VAL 22 3.050 3.963 -7.569 154 3HG1 VAL 22 3HG1 VAL 22 4.458 4.599 -6.684 155 1HG2 VAL 22 1HG2 VAL 22 1.408 5.729 -8.428 156 2HG2 VAL 22 2HG2 VAL 22 1.732 7.125 -7.372 157 3HG2 VAL 22 3HG2 VAL 22 2.102 7.220 -9.111 158 H TRP 23 H TRP 23 5.407 6.618 -5.076 159 HA TRP 23 HA TRP 23 7.978 5.808 -6.256 160 1HB TRP 23 1HB TRP 23 9.106 6.737 -4.338 161 2HB TRP 23 2HB TRP 23 8.187 7.973 -5.172 162 HD1 TRP 23 HD TRP 23 8.215 6.031 -1.845 163 HE1 TRP 23 1HE TRP 23 6.679 7.195 -0.043 164 HE3 TRP 23 3HE TRP 23 6.174 9.438 -5.020 165 HZ2 TRP 23 2HZ TRP 23 4.824 9.362 -0.144 166 HZ3 TRP 23 3HZ TRP 23 4.509 11.042 -4.088 167 HH2 TRP 23 HH TRP 23 3.827 11.041 -1.741 168 H LYS 24 H LYS 24 9.014 3.997 -5.195 169 HA LYS 24 HA LYS 24 7.126 2.450 -3.563 170 1HB LYS 24 1HB LYS 24 7.900 1.663 -5.927 171 2HB LYS 24 2HB LYS 24 9.403 1.252 -5.127 172 1HG LYS 24 1HG LYS 24 8.269 -0.744 -4.801 173 2HG LYS 24 2HG LYS 24 7.760 0.095 -3.350 174 1HD LYS 24 1HD LYS 24 5.609 -0.174 -4.015 175 2HD LYS 24 2HD LYS 24 5.923 0.938 -5.333 176 1HE LYS 24 1HE LYS 24 5.466 -0.802 -6.730 177 2HE LYS 24 2HE LYS 24 7.038 -1.436 -6.287 178 1HZ LYS 24 1HZ LYS 24 5.342 -2.187 -4.237 179 2HZ LYS 24 2HZ LYS 24 4.478 -2.456 -5.591 180 HA PRO 25 HA PRO 25 10.280 3.342 -0.597 181 1HB PRO 25 1HB PRO 25 8.695 3.087 1.615 182 2HB PRO 25 2HB PRO 25 8.905 4.600 0.755 183 1HG PRO 25 1HG PRO 25 6.586 2.767 0.743 184 2HG PRO 25 2HG PRO 25 6.659 4.448 0.252 185 1HD PRO 25 1HD PRO 25 6.587 2.158 -1.473 186 2HD PRO 25 2HD PRO 25 6.777 3.831 -1.959 187 H GLU 26 H GLU 26 8.011 0.686 -0.529 188 HA GLU 26 HA GLU 26 10.258 -0.946 0.331 189 1HB GLU 26 1HB GLU 26 7.516 -0.756 1.578 190 2HB GLU 26 2HB GLU 26 8.329 -2.310 1.575 191 1HG GLU 26 1HG GLU 26 9.403 0.296 2.748 192 2HG GLU 26 2HG GLU 26 8.869 -1.108 3.649 193 HE2 GLU 26 HE GLU 26 11.859 -2.807 3.178 194 HA PRO 27 HA PRO 27 8.906 -3.560 -2.857 195 1HB PRO 27 1HB PRO 27 9.832 -6.004 -2.059 196 2HB PRO 27 2HB PRO 27 10.853 -4.789 -2.800 197 1HG PRO 27 1HG PRO 27 10.705 -5.602 0.037 198 2HG PRO 27 2HG PRO 27 11.976 -4.722 -0.788 199 1HD PRO 27 1HD PRO 27 9.991 -3.625 0.969 200 2HD PRO 27 2HD PRO 27 11.189 -2.732 0.053 201 H CYS 28 H CYS 28 7.590 -3.759 0.184 202 HA CYS 28 HA CYS 28 5.498 -5.503 -0.898 203 1HB CYS 28 1HB CYS 28 6.725 -6.721 0.791 204 2HB CYS 28 2HB CYS 28 6.564 -5.398 1.929 205 H ARG 29 H ARG 29 6.381 -2.397 -0.198 206 HA ARG 29 HA ARG 29 3.649 -1.740 0.526 207 1HB ARG 29 1HB ARG 29 5.754 -1.452 2.308 208 2HB ARG 29 2HB ARG 29 5.741 0.128 1.550 209 1HG ARG 29 1HG ARG 29 4.205 0.471 3.277 210 2HG ARG 29 2HG ARG 29 3.125 0.019 1.973 211 1HD ARG 29 1HD ARG 29 2.418 -1.809 3.124 212 2HD ARG 29 2HD ARG 29 4.060 -2.400 3.275 213 HE ARG 29 HE ARG 29 2.580 -0.794 5.265 214 1HH1 ARG 29 2HH2 ARG 29 5.711 -2.125 4.276 215 2HH1 ARG 29 1HH2 ARG 29 6.410 -1.982 5.855 216 1HH2 ARG 29 1HH ARG 29 5.093 -1.086 7.645 217 H ILE 30 H ILE 30 2.792 0.033 -0.632 218 HA ILE 30 HA ILE 30 4.692 1.408 -2.402 219 HB ILE 30 HB ILE 30 3.225 1.276 -4.199 220 1HG1 ILE 30 1HG1 ILE 30 0.931 -0.136 -3.301 221 2HG1 ILE 30 2HG1 ILE 30 1.178 1.187 -2.178 222 1HG2 ILE 30 1HG2 ILE 30 4.059 -1.093 -2.880 223 2HG2 ILE 30 2HG2 ILE 30 2.449 -1.404 -3.574 224 3HG2 ILE 30 3HG2 ILE 30 3.771 -0.830 -4.617 225 1HD1 ILE 30 1HD1 ILE 30 1.435 2.737 -4.195 226 2HD1 ILE 30 2HD1 ILE 30 0.913 1.371 -5.209 227 3HD1 ILE 30 3HD1 ILE 30 -0.188 2.039 -3.980 228 H CYS 31 H CYS 31 4.342 3.643 -2.735 229 HA CYS 31 HA CYS 31 2.216 4.785 -1.085 230 1HB CYS 31 1HB CYS 31 5.100 5.112 -0.767 231 2HB CYS 31 2HB CYS 31 4.275 6.643 -0.975 232 H VAL 32 H VAL 32 1.229 6.641 -2.031 233 HA VAL 32 HA VAL 32 2.409 7.690 -4.466 234 HB VAL 32 HB VAL 32 1.158 5.997 -5.458 235 1HG1 VAL 32 1HG1 VAL 32 -1.039 6.603 -3.455 236 2HG1 VAL 32 2HG1 VAL 32 -1.220 5.498 -4.839 237 3HG1 VAL 32 3HG1 VAL 32 -0.040 5.134 -3.557 238 1HG2 VAL 32 1HG2 VAL 32 -0.273 7.161 -6.832 239 2HG2 VAL 32 2HG2 VAL 32 -1.015 8.060 -5.486 240 3HG2 VAL 32 3HG2 VAL 32 0.602 8.514 -6.076 241 H CYS 33 H CYS 33 2.053 9.875 -4.658 242 HA CYS 33 HA CYS 33 0.700 11.106 -2.452 243 1HB CYS 33 1HB CYS 33 2.819 12.001 -3.214 244 2HB CYS 33 2HB CYS 33 2.177 12.264 -4.823 245 H ASP 34 H ASP 34 -1.486 11.495 -2.500 246 HA ASP 34 HA ASP 34 -2.665 11.829 -5.146 247 1HB ASP 34 1HB ASP 34 -3.512 9.824 -4.026 248 2HB ASP 34 2HB ASP 34 -3.823 10.718 -2.551 249 HD2 ASP 34 HD ASP 34 -6.027 10.450 -2.485 250 H THR 35 H THR 35 -3.126 14.015 -5.454 251 HA THR 35 HA THR 35 -3.401 16.189 -4.892 252 HB THR 35 HB THR 35 -5.729 16.541 -4.233 253 HG1 THR 35 1HG THR 35 -5.628 13.736 -3.405 254 1HG2 THR 35 1HG2 THR 35 -5.382 13.819 -5.595 255 2HG2 THR 35 2HG2 THR 35 -6.944 14.659 -5.441 256 3HG2 THR 35 3HG2 THR 35 -5.634 15.385 -6.403 257 H GLY 36 H GLY 36 -1.423 16.246 -3.553 258 1HA GLY 36 1HA GLY 36 -0.316 16.742 -1.656 259 2HA GLY 36 2HA GLY 36 -1.750 17.660 -1.237 260 H THR 37 H THR 37 -2.105 14.185 -1.744 261 HA THR 37 HA THR 37 -1.902 13.685 1.131 262 HB THR 37 HB THR 37 -4.327 12.732 -0.429 263 HG1 THR 37 1HG THR 37 -5.117 14.813 -0.282 264 1HG2 THR 37 1HG2 THR 37 -3.906 11.933 1.941 265 2HG2 THR 37 2HG2 THR 37 -3.926 13.632 2.472 266 3HG2 THR 37 3HG2 THR 37 -5.396 12.895 1.789 267 H VAL 38 H VAL 38 -0.230 12.281 1.121 268 HA VAL 38 HA VAL 38 -0.226 10.215 -0.935 269 HB VAL 38 HB VAL 38 1.836 11.325 -0.720 270 1HG1 VAL 38 1HG1 VAL 38 1.443 11.028 2.262 271 2HG1 VAL 38 2HG1 VAL 38 3.037 11.372 1.551 272 3HG1 VAL 38 3HG1 VAL 38 1.691 12.510 1.309 273 1HG2 VAL 38 1HG2 VAL 38 3.067 9.324 0.797 274 2HG2 VAL 38 2HG2 VAL 38 1.599 8.557 0.144 275 3HG2 VAL 38 3HG2 VAL 38 2.775 9.310 -0.960 276 H LEU 39 H LEU 39 -0.561 8.046 -0.509 277 HA LEU 39 HA LEU 39 -0.926 7.312 2.298 278 1HB LEU 39 1HB LEU 39 -3.023 6.417 2.008 279 2HB LEU 39 2HB LEU 39 -3.106 7.927 1.123 280 HG LEU 39 HG LEU 39 -2.729 5.177 -0.094 281 1HD1 LEU 39 1HD1 LEU 39 -4.968 5.254 -0.795 282 2HD1 LEU 39 2HD1 LEU 39 -5.001 5.780 0.905 283 3HD1 LEU 39 3HD1 LEU 39 -5.127 6.982 -0.402 284 1HD2 LEU 39 1HD2 LEU 39 -1.572 6.701 -1.491 285 2HD2 LEU 39 2HD2 LEU 39 -3.152 6.410 -2.258 286 3HD2 LEU 39 3HD2 LEU 39 -2.863 7.919 -1.359 287 H CYS 40 H CYS 40 -0.354 5.161 2.789 288 HA CYS 40 HA CYS 40 1.053 3.844 0.585 289 1HB CYS 40 1HB CYS 40 1.815 4.459 3.276 290 2HB CYS 40 2HB CYS 40 1.771 2.716 3.095 291 H ASP 41 H ASP 41 0.263 1.865 -0.096 292 HA ASP 41 HA ASP 41 -1.821 0.714 1.587 293 1HB ASP 41 1HB ASP 41 -1.379 0.814 -1.409 294 2HB ASP 41 2HB ASP 41 -2.326 -0.496 -0.731 295 HD2 ASP 41 HD ASP 41 -5.056 0.937 -0.340 296 H ASP 42 H ASP 42 -1.791 -1.657 1.839 297 HA ASP 42 HA ASP 42 0.822 -2.693 1.887 298 1HB ASP 42 1HB ASP 42 -1.867 -3.450 2.799 299 2HB ASP 42 2HB ASP 42 -1.004 -4.841 2.173 300 HD2 ASP 42 HD ASP 42 -0.414 -2.898 5.443 301 H ILE 43 H ILE 43 1.392 -4.865 0.803 302 HA ILE 43 HA ILE 43 0.183 -4.950 -1.869 303 HB ILE 43 HB ILE 43 2.948 -5.558 -0.853 304 1HG1 ILE 43 1HG1 ILE 43 1.940 -3.747 -3.067 305 2HG1 ILE 43 2HG1 ILE 43 2.380 -3.221 -1.455 306 1HG2 ILE 43 1HG2 ILE 43 1.947 -6.199 -3.634 307 2HG2 ILE 43 2HG2 ILE 43 3.550 -6.536 -2.939 308 3HG2 ILE 43 3HG2 ILE 43 2.117 -7.407 -2.339 309 1HD1 ILE 43 1HD1 ILE 43 4.530 -4.851 -2.513 310 2HD1 ILE 43 2HD1 ILE 43 4.106 -3.592 -3.697 311 3HD1 ILE 43 3HD1 ILE 43 4.564 -3.135 -2.039 312 H ILE 44 H ILE 44 -1.436 -6.440 -1.853 313 HA ILE 44 HA ILE 44 -1.131 -8.809 -0.223 314 HB ILE 44 HB ILE 44 -3.438 -9.280 -1.185 315 1HG1 ILE 44 1HG1 ILE 44 -3.380 -6.369 -1.990 316 2HG1 ILE 44 2HG1 ILE 44 -3.037 -7.651 -3.134 317 1HG2 ILE 44 1HG2 ILE 44 -2.563 -7.321 0.801 318 2HG2 ILE 44 2HG2 ILE 44 -4.203 -7.009 0.184 319 3HG2 ILE 44 3HG2 ILE 44 -3.808 -8.589 0.903 320 1HD1 ILE 44 1HD1 ILE 44 -5.611 -7.135 -1.608 321 2HD1 ILE 44 2HD1 ILE 44 -5.373 -7.278 -3.366 322 3HD1 ILE 44 3HD1 ILE 44 -5.273 -8.725 -2.333 323 H CYS 45 H CYS 45 0.168 -10.395 -0.984 324 HA CYS 45 HA CYS 45 0.092 -10.868 -3.870 325 1HB CYS 45 1HB CYS 45 2.217 -12.265 -3.218 326 2HB CYS 45 2HB CYS 45 2.301 -10.536 -3.497 327 H GLU 46 H GLU 46 0.535 -13.372 -4.335 328 HA GLU 46 HA GLU 46 -1.490 -14.750 -2.823 329 1HB GLU 46 1HB GLU 46 -0.145 -15.132 -5.488 330 2HB GLU 46 2HB GLU 46 -0.824 -16.550 -4.711 331 1HG GLU 46 1HG GLU 46 -2.997 -15.842 -4.998 332 2HG GLU 46 2HG GLU 46 -2.607 -14.164 -4.676 333 HE2 GLU 46 HE GLU 46 -3.188 -15.234 -8.317 334 H ASP 47 H ASP 47 -1.045 -17.193 -2.357 335 HA ASP 47 HA ASP 47 1.641 -17.330 -1.235 336 1HB ASP 47 1HB ASP 47 -0.728 -17.513 0.105 337 2HB ASP 47 2HB ASP 47 -0.527 -19.199 -0.326 338 HD2 ASP 47 HD ASP 47 0.668 -18.883 2.864 339 H VAL 48 H VAL 48 2.875 -19.262 -1.654 340 HA VAL 48 HA VAL 48 2.089 -20.717 -3.971 341 HB VAL 48 HB VAL 48 4.388 -20.070 -3.549 342 1HG1 VAL 48 1HG1 VAL 48 5.519 -20.413 -1.633 343 2HG1 VAL 48 2HG1 VAL 48 3.919 -20.734 -0.922 344 3HG1 VAL 48 3HG1 VAL 48 4.935 -22.087 -1.474 345 1HG2 VAL 48 1HG2 VAL 48 5.422 -22.052 -4.269 346 2HG2 VAL 48 2HG2 VAL 48 4.316 -23.082 -3.328 347 3HG2 VAL 48 3HG2 VAL 48 3.727 -22.237 -4.780 348 H LYS 49 H LYS 49 2.285 -23.230 -3.932 349 HA LYS 49 HA LYS 49 1.252 -24.334 -1.446 350 1HB LYS 49 1HB LYS 49 -0.448 -23.653 -3.615 351 2HB LYS 49 2HB LYS 49 -0.296 -25.399 -3.628 352 1HG LYS 49 1HG LYS 49 -0.671 -24.159 -0.929 353 2HG LYS 49 2HG LYS 49 -2.042 -24.031 -2.014 354 1HD LYS 49 1HD LYS 49 -1.166 -26.699 -2.324 355 2HD LYS 49 2HD LYS 49 -0.998 -26.393 -0.608 356 1HE LYS 49 1HE LYS 49 -3.246 -27.206 -0.940 357 2HE LYS 49 2HE LYS 49 -3.385 -25.491 -0.607 358 1HZ LYS 49 1HZ LYS 49 -4.606 -25.551 -2.513 359 2HZ LYS 49 2HZ LYS 49 -3.168 -25.462 -3.273 360 H ASP 50 H ASP 50 1.618 -25.342 -4.921 361 HA ASP 50 HA ASP 50 3.700 -27.142 -4.021 362 1HB ASP 50 1HB ASP 50 1.057 -27.874 -5.243 363 2HB ASP 50 2HB ASP 50 2.454 -28.736 -5.857 364 HD2 ASP 50 HD ASP 50 2.024 -28.749 -1.965 365 H CYS 51 H CYS 51 4.680 -25.092 -5.226 366 HA CYS 51 HA CYS 51 4.496 -25.474 -8.118 367 1HB CYS 51 1HB CYS 51 4.022 -23.207 -6.934 368 2HB CYS 51 2HB CYS 51 5.765 -23.096 -6.789 369 H LEU 52 H LEU 52 6.818 -24.718 -9.138 370 HA LEU 52 HA LEU 52 8.658 -26.669 -8.177 371 1HB LEU 52 1HB LEU 52 8.385 -24.861 -10.497 372 2HB LEU 52 2HB LEU 52 10.030 -25.251 -10.037 373 HG LEU 52 HG LEU 52 8.692 -27.716 -10.018 374 1HD1 LEU 52 1HD1 LEU 52 6.792 -26.793 -11.181 375 2HD1 LEU 52 2HD1 LEU 52 7.849 -26.064 -12.413 376 3HD1 LEU 52 3HD1 LEU 52 7.713 -27.835 -12.293 377 1HD2 LEU 52 1HD2 LEU 52 10.774 -27.978 -10.810 378 2HD2 LEU 52 2HD2 LEU 52 10.020 -27.713 -12.399 379 3HD2 LEU 52 3HD2 LEU 52 10.810 -26.361 -11.553 380 H SER 53 H SER 53 9.665 -23.352 -9.083 381 HA SER 53 HA SER 53 10.921 -23.211 -6.454 382 1HB SER 53 1HB SER 53 11.900 -22.622 -9.201 383 2HB SER 53 2HB SER 53 12.323 -21.411 -8.007 384 HG SER 53 HG SER 53 13.720 -22.760 -7.091 385 HA PRO 54 HA PRO 54 8.775 -19.473 -5.859 386 1HB PRO 54 1HB PRO 54 10.417 -18.108 -4.154 387 2HB PRO 54 2HB PRO 54 9.345 -19.391 -3.630 388 1HG PRO 54 1HG PRO 54 12.278 -19.458 -3.987 389 2HG PRO 54 2HG PRO 54 11.257 -20.557 -3.081 390 1HD PRO 54 1HD PRO 54 12.428 -21.030 -5.657 391 2HD PRO 54 2HD PRO 54 11.315 -22.080 -4.802 392 H GLU 55 H GLU 55 8.294 -17.629 -6.919 393 HA GLU 55 HA GLU 55 10.510 -16.033 -7.753 394 1HB GLU 55 1HB GLU 55 10.051 -16.142 -10.153 395 2HB GLU 55 2HB GLU 55 10.400 -17.752 -9.556 396 1HG GLU 55 1HG GLU 55 7.815 -18.007 -9.271 397 2HG GLU 55 2HG GLU 55 7.687 -16.573 -10.270 398 HE2 GLU 55 HE GLU 55 8.675 -16.890 -12.548 399 H ILE 56 H ILE 56 9.892 -13.918 -7.555 400 HA ILE 56 HA ILE 56 7.179 -13.339 -6.940 401 HB ILE 56 HB ILE 56 9.585 -12.248 -6.318 402 1HG1 ILE 56 1HG1 ILE 56 6.981 -10.710 -6.193 403 2HG1 ILE 56 2HG1 ILE 56 7.314 -12.101 -5.180 404 1HG2 ILE 56 1HG2 ILE 56 9.727 -10.018 -7.257 405 2HG2 ILE 56 2HG2 ILE 56 9.807 -11.233 -8.554 406 3HG2 ILE 56 3HG2 ILE 56 8.302 -10.325 -8.277 407 1HD1 ILE 56 1HD1 ILE 56 8.912 -10.990 -3.921 408 2HD1 ILE 56 2HD1 ILE 56 9.426 -9.967 -5.284 409 3HD1 ILE 56 3HD1 ILE 56 7.923 -9.593 -4.407 410 HA PRO 57 HA PRO 57 5.996 -12.736 -11.092 411 1HB PRO 57 1HB PRO 57 3.342 -12.274 -10.633 412 2HB PRO 57 2HB PRO 57 4.022 -13.882 -10.787 413 1HG PRO 57 1HG PRO 57 3.139 -12.471 -8.344 414 2HG PRO 57 2HG PRO 57 3.414 -14.185 -8.584 415 1HD PRO 57 1HD PRO 57 5.145 -12.343 -7.228 416 2HD PRO 57 2HD PRO 57 5.471 -14.031 -7.568 417 H PHE 58 H PHE 58 6.828 -11.004 -12.079 418 HA PHE 58 HA PHE 58 7.216 -8.858 -12.474 419 1HB PHE 58 1HB PHE 58 4.877 -9.262 -13.382 420 2HB PHE 58 2HB PHE 58 4.205 -8.789 -11.835 421 HD1 PHE 58 1HD PHE 58 6.671 -7.354 -14.258 422 HD2 PHE 58 2HD PHE 58 3.270 -6.695 -11.807 423 HE1 PHE 58 1HE PHE 58 6.581 -4.966 -15.025 424 HE2 PHE 58 2HE PHE 58 3.180 -4.307 -12.575 425 HZ PHE 58 HZ PHE 58 4.836 -3.470 -14.174 426 H GLY 59 H GLY 59 8.039 -9.358 -9.913 427 1HA GLY 59 1HA GLY 59 8.514 -8.372 -7.951 428 2HA GLY 59 2HA GLY 59 8.088 -6.854 -8.718 429 H GLU 60 H GLU 60 7.379 -8.829 -6.122 430 HA GLU 60 HA GLU 60 4.860 -7.471 -5.772 431 1HB GLU 60 1HB GLU 60 5.064 -10.474 -5.308 432 2HB GLU 60 2HB GLU 60 3.628 -9.478 -5.178 433 1HG GLU 60 1HG GLU 60 5.191 -9.749 -7.781 434 2HG GLU 60 2HG GLU 60 3.891 -10.842 -7.352 435 HE2 GLU 60 HE GLU 60 4.451 -7.981 -8.907 436 H CYS 61 H CYS 61 4.311 -9.321 -3.399 437 HA CYS 61 HA CYS 61 6.398 -8.205 -1.673 438 1HB CYS 61 1HB CYS 61 4.405 -7.154 -1.068 439 2HB CYS 61 2HB CYS 61 3.451 -8.611 -1.262 440 H CYS 62 H CYS 62 4.932 -11.028 -3.037 441 HA CYS 62 HA CYS 62 6.157 -12.676 -0.945 442 1HB CYS 62 1HB CYS 62 3.826 -13.351 -2.752 443 2HB CYS 62 2HB CYS 62 4.586 -14.456 -1.624 444 HA PRO 63 HA PRO 63 8.667 -13.411 -4.564 445 1HB PRO 63 1HB PRO 63 10.957 -14.071 -3.227 446 2HB PRO 63 2HB PRO 63 10.558 -12.428 -3.690 447 1HG PRO 63 1HG PRO 63 10.434 -13.683 -1.017 448 2HG PRO 63 2HG PRO 63 10.454 -11.980 -1.431 449 1HD PRO 63 1HD PRO 63 8.175 -13.521 -0.619 450 2HD PRO 63 2HD PRO 63 8.177 -11.850 -1.144 451 H ILE 64 H ILE 64 6.763 -15.176 -4.238 452 HA ILE 64 HA ILE 64 8.299 -17.661 -4.353 453 HB ILE 64 HB ILE 64 6.789 -18.839 -2.986 454 1HG1 ILE 64 1HG1 ILE 64 5.045 -16.410 -3.250 455 2HG1 ILE 64 2HG1 ILE 64 4.651 -18.098 -3.504 456 1HG2 ILE 64 1HG2 ILE 64 8.536 -17.439 -1.857 457 2HG2 ILE 64 2HG2 ILE 64 7.276 -16.223 -1.544 458 3HG2 ILE 64 3HG2 ILE 64 7.135 -17.851 -0.840 459 1HD1 ILE 64 1HD1 ILE 64 3.632 -17.344 -1.409 460 2HD1 ILE 64 2HD1 ILE 64 4.926 -18.508 -1.034 461 3HD1 ILE 64 3HD1 ILE 64 5.207 -16.764 -0.815 462 H CYS 65 H CYS 65 6.564 -19.466 -5.177 463 HA CYS 65 HA CYS 65 5.518 -18.262 -7.610 464 1HB CYS 65 1HB CYS 65 7.070 -20.090 -7.915 465 2HB CYS 65 2HB CYS 65 6.119 -21.134 -6.878 466 HA PRO 66 HA PRO 66 1.576 -18.757 -5.702 467 1HB PRO 66 1HB PRO 66 0.105 -17.454 -7.602 468 2HB PRO 66 2HB PRO 66 0.912 -16.630 -6.281 469 1HG PRO 66 1HG PRO 66 1.682 -16.758 -9.132 470 2HG PRO 66 2HG PRO 66 2.207 -15.624 -7.903 471 1HD PRO 66 1HD PRO 66 3.698 -17.845 -8.939 472 2HD PRO 66 2HD PRO 66 4.174 -16.783 -7.630 473 H ALA 67 H ALA 67 0.720 -20.726 -5.546 474 HA ALA 67 HA ALA 67 0.789 -22.558 -7.572 475 1HB ALA 67 1HB ALA 67 -0.924 -22.159 -5.122 476 2HB ALA 67 2HB ALA 67 -1.276 -23.502 -6.238 477 3HB ALA 67 3HB ALA 67 0.315 -23.395 -5.446 478 H ASP 68 H ASP 68 0.203 -21.850 -9.631 479 HA ASP 68 HA ASP 68 -2.399 -22.089 -10.355 480 1HB ASP 68 1HB ASP 68 -2.141 -19.654 -9.063 481 2HB ASP 68 2HB ASP 68 -1.854 -19.182 -10.725 482 HD2 ASP 68 HD ASP 68 -3.957 -18.439 -9.165 483 H LEU 69 H LEU 69 0.623 -20.151 -10.820 484 HA LEU 69 HA LEU 69 1.701 -19.523 -12.681 485 1HB LEU 69 1HB LEU 69 2.141 -21.711 -14.122 486 2HB LEU 69 2HB LEU 69 2.917 -21.397 -12.582 487 HG LEU 69 HG LEU 69 0.974 -22.748 -11.538 488 1HD1 LEU 69 1HD1 LEU 69 0.713 -24.341 -13.979 489 2HD1 LEU 69 2HD1 LEU 69 -0.521 -23.808 -12.813 490 3HD1 LEU 69 3HD1 LEU 69 0.001 -22.716 -14.118 491 1HD2 LEU 69 1HD2 LEU 69 2.297 -24.882 -12.772 492 2HD2 LEU 69 2HD2 LEU 69 3.473 -23.546 -12.766 493 3HD2 LEU 69 3HD2 LEU 69 2.725 -24.081 -11.242 494 H ALA 70 H ALA 70 -0.764 -18.541 -13.017 495 HA ALA 70 HA ALA 70 -2.448 -19.397 -14.916 496 1HB ALA 70 1HB ALA 70 -2.812 -16.956 -15.423 497 2HB ALA 70 2HB ALA 70 -2.786 -17.337 -13.684 498 3HB ALA 70 3HB ALA 70 -1.366 -16.590 -14.454 499 H ALA 71 H ALA 71 0.495 -17.369 -15.612 500 HA ALA 71 HA ALA 71 0.333 -17.401 -18.334 501 1HB ALA 71 1HB ALA 71 3.024 -17.484 -17.928 502 2HB ALA 71 2HB ALA 71 2.027 -16.038 -17.640 503 3HB ALA 71 3HB ALA 71 2.467 -17.101 -16.282 504 H ALA 72 H ALA 72 2.354 -19.683 -16.341 505 HA ALA 72 HA ALA 72 1.464 -21.986 -17.589 506 1HB ALA 72 1HB ALA 72 3.754 -22.296 -18.918 507 2HB ALA 72 2HB ALA 72 2.345 -21.517 -19.676 508 3HB ALA 72 3HB ALA 72 3.665 -20.521 -19.015 509 H ALA 73 H ALA 73 4.633 -20.451 -16.664 510 HA ALA 73 HA ALA 73 4.736 -21.702 -14.175 511 1HB ALA 73 1HB ALA 73 4.949 -23.771 -15.526 512 2HB ALA 73 2HB ALA 73 6.374 -23.083 -16.339 513 3HB ALA 73 3HB ALA 73 6.428 -23.433 -14.596 Start of MODEL 11 1 1H TYR 1 H TYR 1 -7.235 16.179 11.116 2 HA TYR 1 HA TYR 1 -6.103 17.667 13.083 3 1HB TYR 1 1HB TYR 1 -3.589 17.151 12.297 4 2HB TYR 1 2HB TYR 1 -4.328 16.114 13.501 5 HD1 TYR 1 1HD TYR 1 -2.546 16.147 10.480 6 HD2 TYR 1 2HD TYR 1 -5.689 14.041 12.477 7 HE1 TYR 1 1HE TYR 1 -2.142 14.124 8.996 8 HE2 TYR 1 2HE TYR 1 -5.274 12.024 10.986 9 HH TYR 1 HH TYR 1 -3.370 12.211 8.190 10 H VAL 2 H VAL 2 -5.924 16.517 9.705 11 HA VAL 2 HA VAL 2 -5.462 19.310 8.907 12 HB VAL 2 HB VAL 2 -4.570 18.211 6.782 13 1HG1 VAL 2 1HG1 VAL 2 -3.301 19.251 8.859 14 2HG1 VAL 2 2HG1 VAL 2 -2.767 17.568 9.089 15 3HG1 VAL 2 3HG1 VAL 2 -2.414 18.412 7.562 16 1HG2 VAL 2 1HG2 VAL 2 -4.332 15.822 8.641 17 2HG2 VAL 2 2HG2 VAL 2 -5.419 15.939 7.237 18 3HG2 VAL 2 3HG2 VAL 2 -3.656 15.956 7.000 19 H GLU 3 H GLU 3 -6.934 20.233 7.510 20 HA GLU 3 HA GLU 3 -8.924 18.423 6.405 21 1HB GLU 3 1HB GLU 3 -9.371 20.324 8.507 22 2HB GLU 3 2HB GLU 3 -10.169 20.946 7.075 23 1HG GLU 3 1HG GLU 3 -11.399 18.834 6.777 24 2HG GLU 3 2HG GLU 3 -10.507 18.083 8.086 25 HE2 GLU 3 HE GLU 3 -13.576 19.379 7.810 26 H PHE 4 H PHE 4 -8.524 18.575 4.229 27 HA PHE 4 HA PHE 4 -8.076 19.440 2.245 28 1HB PHE 4 1HB PHE 4 -10.356 20.595 3.300 29 2HB PHE 4 2HB PHE 4 -9.405 22.041 3.029 30 HD1 PHE 4 1HD PHE 4 -8.831 22.749 0.766 31 HD2 PHE 4 2HD PHE 4 -11.181 19.280 1.435 32 HE1 PHE 4 1HE PHE 4 -9.523 22.753 -1.646 33 HE2 PHE 4 2HE PHE 4 -11.874 19.284 -0.978 34 HZ PHE 4 HZ PHE 4 -11.036 21.020 -2.490 35 H GLN 5 H GLN 5 -5.811 19.727 2.313 36 HA GLN 5 HA GLN 5 -4.992 22.428 3.049 37 1HB GLN 5 1HB GLN 5 -3.439 19.806 3.068 38 2HB GLN 5 2HB GLN 5 -2.675 21.369 3.282 39 1HG GLN 5 1HG GLN 5 -4.929 21.307 5.056 40 2HG GLN 5 2HG GLN 5 -4.109 19.769 5.235 41 1HE2 GLN 5 1HE2 GLN 5 -1.818 19.763 5.655 42 2HE2 GLN 5 2HE2 GLN 5 -1.084 21.050 6.551 43 H GLU 6 H GLU 6 -4.638 23.725 1.305 44 HA GLU 6 HA GLU 6 -4.246 22.508 -1.244 45 1HB GLU 6 1HB GLU 6 -5.154 25.055 -0.220 46 2HB GLU 6 2HB GLU 6 -3.864 25.349 -1.368 47 1HG GLU 6 1HG GLU 6 -5.042 23.875 -3.036 48 2HG GLU 6 2HG GLU 6 -6.348 23.648 -1.890 49 HE2 GLU 6 HE GLU 6 -5.062 25.638 -4.176 50 H ALA 7 H ALA 7 -2.215 21.572 -1.460 51 HA ALA 7 HA ALA 7 0.014 23.436 -1.432 52 1HB ALA 7 1HB ALA 7 -0.221 20.955 0.293 53 2HB ALA 7 2HB ALA 7 1.360 21.607 -0.198 54 3HB ALA 7 3HB ALA 7 0.249 22.604 0.772 55 H GLY 8 H GLY 8 -0.739 19.885 -1.726 56 1HA GLY 8 1HA GLY 8 -0.780 18.727 -3.753 57 2HA GLY 8 2HA GLY 8 0.153 19.997 -4.517 58 H SER 9 H SER 9 2.485 20.251 -3.883 59 HA SER 9 HA SER 9 3.894 18.017 -4.192 60 1HB SER 9 1HB SER 9 4.439 20.720 -3.517 61 2HB SER 9 2HB SER 9 5.322 19.766 -2.343 62 HG SER 9 HG SER 9 5.441 19.308 -5.201 63 H CYS 10 H CYS 10 4.682 16.303 -2.933 64 HA CYS 10 HA CYS 10 3.758 16.317 -0.155 65 1HB CYS 10 1HB CYS 10 3.915 14.198 -2.240 66 2HB CYS 10 2HB CYS 10 4.245 13.723 -0.586 67 H VAL 11 H VAL 11 5.285 15.833 1.489 68 HA VAL 11 HA VAL 11 8.059 15.941 0.587 69 HB VAL 11 HB VAL 11 6.703 16.447 3.237 70 1HG1 VAL 11 1HG1 VAL 11 8.633 16.054 4.280 71 2HG1 VAL 11 2HG1 VAL 11 9.422 15.654 2.736 72 3HG1 VAL 11 3HG1 VAL 11 9.395 17.338 3.312 73 1HG2 VAL 11 1HG2 VAL 11 7.781 18.155 1.033 74 2HG2 VAL 11 2HG2 VAL 11 6.352 18.385 2.068 75 3HG2 VAL 11 3HG2 VAL 11 7.977 18.729 2.706 76 H GLN 12 H GLN 12 9.033 14.009 0.268 77 HA GLN 12 HA GLN 12 8.387 11.933 2.213 78 1HB GLN 12 1HB GLN 12 7.719 11.806 -0.456 79 2HB GLN 12 2HB GLN 12 9.293 11.038 -0.480 80 1HG GLN 12 1HG GLN 12 7.046 10.248 1.433 81 2HG GLN 12 2HG GLN 12 7.357 9.442 -0.091 82 1HE2 GLN 12 1HE2 GLN 12 7.403 8.174 2.385 83 2HE2 GLN 12 2HE2 GLN 12 9.005 7.614 2.733 84 H ASP 13 H ASP 13 10.165 11.932 3.549 85 HA ASP 13 HA ASP 13 12.214 11.657 4.206 86 1HB ASP 13 1HB ASP 13 12.264 10.439 1.502 87 2HB ASP 13 2HB ASP 13 13.841 10.988 2.034 88 HD2 ASP 13 HD ASP 13 13.754 8.372 1.797 89 H GLY 14 H GLY 14 11.153 14.104 2.458 90 1HA GLY 14 1HA GLY 14 12.111 16.230 2.475 91 2HA GLY 14 2HA GLY 14 13.716 15.526 2.460 92 H GLN 15 H GLN 15 11.074 14.397 0.324 93 HA GLN 15 HA GLN 15 12.401 15.764 -1.877 94 1HB GLN 15 1HB GLN 15 12.028 12.845 -1.465 95 2HB GLN 15 2HB GLN 15 11.541 13.414 -3.051 96 1HG GLN 15 1HG GLN 15 13.697 13.735 -3.703 97 2HG GLN 15 2HG GLN 15 14.078 14.643 -2.254 98 1HE2 GLN 15 1HE2 GLN 15 16.129 13.523 -2.470 99 2HE2 GLN 15 2HE2 GLN 15 16.336 11.950 -1.775 100 H ARG 16 H ARG 16 10.991 16.861 -3.198 101 HA ARG 16 HA ARG 16 8.232 16.675 -2.524 102 1HB ARG 16 1HB ARG 16 8.045 18.526 -4.307 103 2HB ARG 16 2HB ARG 16 9.057 18.899 -2.926 104 1HG ARG 16 1HG ARG 16 10.562 17.550 -5.079 105 2HG ARG 16 2HG ARG 16 9.822 19.042 -5.624 106 1HD ARG 16 1HD ARG 16 10.875 19.711 -3.097 107 2HD ARG 16 2HD ARG 16 12.090 18.650 -3.782 108 HE ARG 16 HE ARG 16 11.380 20.430 -5.850 109 1HH1 ARG 16 2HH2 ARG 16 12.801 20.673 -2.612 110 2HH1 ARG 16 1HH2 ARG 16 13.705 22.104 -2.981 111 1HH2 ARG 16 1HH ARG 16 13.555 23.054 -5.177 112 H TYR 17 H TYR 17 6.846 15.239 -3.509 113 HA TYR 17 HA TYR 17 7.511 14.427 -6.259 114 1HB TYR 17 1HB TYR 17 6.325 13.034 -3.792 115 2HB TYR 17 2HB TYR 17 6.102 12.347 -5.389 116 HD1 TYR 17 1HD TYR 17 8.120 11.602 -6.712 117 HD2 TYR 17 2HD TYR 17 8.383 12.776 -2.606 118 HE1 TYR 17 1HE TYR 17 10.369 10.433 -6.515 119 HE2 TYR 17 2HE TYR 17 10.631 11.603 -2.422 120 HH TYR 17 HH TYR 17 11.977 10.134 -3.402 121 H ASN 18 H ASN 18 5.812 14.284 -7.772 122 HA ASN 18 HA ASN 18 3.822 16.112 -7.534 123 1HB ASN 18 1HB ASN 18 4.730 14.384 -9.511 124 2HB ASN 18 2HB ASN 18 3.143 13.717 -9.188 125 1HD2 ASN 18 1HD2 ASN 18 3.376 14.607 -11.590 126 2HD2 ASN 18 2HD2 ASN 18 2.629 16.146 -11.859 127 H ASP 19 H ASP 19 1.344 14.927 -8.203 128 HA ASP 19 HA ASP 19 0.623 13.838 -5.657 129 1HB ASP 19 1HB ASP 19 -0.991 14.580 -8.141 130 2HB ASP 19 2HB ASP 19 -1.723 13.954 -6.676 131 HD2 ASP 19 HD ASP 19 -1.099 16.799 -8.175 132 H LYS 20 H LYS 20 -0.242 13.019 -9.111 133 HA LYS 20 HA LYS 20 -0.985 10.393 -8.544 134 1HB LYS 20 1HB LYS 20 -1.649 11.749 -10.539 135 2HB LYS 20 2HB LYS 20 -0.034 11.539 -11.184 136 1HG LYS 20 1HG LYS 20 -0.301 9.168 -11.412 137 2HG LYS 20 2HG LYS 20 -1.693 9.133 -10.348 138 1HD LYS 20 1HD LYS 20 -2.753 9.008 -12.423 139 2HD LYS 20 2HD LYS 20 -2.779 10.741 -12.164 140 1HE LYS 20 1HE LYS 20 -1.934 10.584 -14.358 141 2HE LYS 20 2HE LYS 20 -0.468 10.751 -13.414 142 1HZ LYS 20 1HZ LYS 20 -1.596 8.172 -14.368 143 2HZ LYS 20 2HZ LYS 20 -0.271 8.906 -14.968 144 H ASP 21 H ASP 21 2.114 11.900 -8.626 145 HA ASP 21 HA ASP 21 3.668 9.896 -9.661 146 1HB ASP 21 1HB ASP 21 4.044 12.144 -7.714 147 2HB ASP 21 2HB ASP 21 5.279 10.902 -7.690 148 HD2 ASP 21 HD ASP 21 6.751 13.107 -9.410 149 H VAL 22 H VAL 22 4.260 7.857 -8.855 150 HA VAL 22 HA VAL 22 3.479 7.289 -6.081 151 HB VAL 22 HB VAL 22 2.217 6.095 -7.821 152 1HG1 VAL 22 1HG1 VAL 22 3.605 5.841 -9.669 153 2HG1 VAL 22 2HG1 VAL 22 4.975 5.259 -8.694 154 3HG1 VAL 22 3HG1 VAL 22 3.578 4.197 -8.988 155 1HG2 VAL 22 1HG2 VAL 22 3.120 5.108 -5.502 156 2HG2 VAL 22 2HG2 VAL 22 2.130 4.149 -6.629 157 3HG2 VAL 22 3HG2 VAL 22 3.899 3.949 -6.606 158 H TRP 23 H TRP 23 4.904 5.792 -4.875 159 HA TRP 23 HA TRP 23 7.570 5.463 -5.956 160 1HB TRP 23 1HB TRP 23 8.701 6.607 -4.192 161 2HB TRP 23 2HB TRP 23 7.623 7.725 -5.003 162 HD1 TRP 23 HD TRP 23 7.867 5.771 -1.658 163 HE1 TRP 23 1HE TRP 23 6.426 6.938 0.220 164 HE3 TRP 23 3HE TRP 23 5.753 9.248 -4.707 165 HZ2 TRP 23 2HZ TRP 23 4.605 9.135 0.219 166 HZ3 TRP 23 3HZ TRP 23 4.155 10.868 -3.689 167 HH2 TRP 23 HH TRP 23 3.571 10.849 -1.315 168 H LYS 24 H LYS 24 8.719 3.780 -4.807 169 HA LYS 24 HA LYS 24 6.950 2.250 -3.034 170 1HB LYS 24 1HB LYS 24 7.468 1.155 -5.175 171 2HB LYS 24 2HB LYS 24 9.183 1.291 -4.849 172 1HG LYS 24 1HG LYS 24 7.567 0.019 -2.678 173 2HG LYS 24 2HG LYS 24 7.665 -0.893 -4.171 174 1HD LYS 24 1HD LYS 24 10.210 0.280 -3.045 175 2HD LYS 24 2HD LYS 24 9.535 -1.137 -2.265 176 1HE LYS 24 1HE LYS 24 11.110 -1.896 -3.960 177 2HE LYS 24 2HE LYS 24 9.496 -2.311 -4.501 178 1HZ LYS 24 1HZ LYS 24 10.992 0.098 -5.388 179 2HZ LYS 24 2HZ LYS 24 10.797 -1.254 -6.274 180 HA PRO 25 HA PRO 25 10.060 3.515 -0.166 181 1HB PRO 25 1HB PRO 25 8.525 3.250 2.080 182 2HB PRO 25 2HB PRO 25 8.604 4.728 1.141 183 1HG PRO 25 1HG PRO 25 6.438 2.720 1.258 184 2HG PRO 25 2HG PRO 25 6.372 4.374 0.681 185 1HD PRO 25 1HD PRO 25 6.463 1.999 -0.925 186 2HD PRO 25 2HD PRO 25 6.514 3.654 -1.498 187 H GLU 26 H GLU 26 7.977 0.715 0.166 188 HA GLU 26 HA GLU 26 10.370 -0.755 0.854 189 1HB GLU 26 1HB GLU 26 7.815 -0.722 2.510 190 2HB GLU 26 2HB GLU 26 9.001 -2.007 2.634 191 1HG GLU 26 1HG GLU 26 10.680 -0.556 3.493 192 2HG GLU 26 2HG GLU 26 9.886 0.883 2.886 193 HE2 GLU 26 HE GLU 26 10.012 -1.316 5.428 194 HA PRO 27 HA PRO 27 8.530 -3.617 -1.842 195 1HB PRO 27 1HB PRO 27 9.896 -5.901 -1.218 196 2HB PRO 27 2HB PRO 27 10.549 -4.646 -2.251 197 1HG PRO 27 1HG PRO 27 11.228 -5.274 0.556 198 2HG PRO 27 2HG PRO 27 12.139 -4.334 -0.610 199 1HD PRO 27 1HD PRO 27 10.565 -3.316 1.561 200 2HD PRO 27 2HD PRO 27 11.380 -2.377 0.327 201 H CYS 28 H CYS 28 6.728 -3.018 0.004 202 HA CYS 28 HA CYS 28 5.292 -5.434 0.132 203 1HB CYS 28 1HB CYS 28 7.052 -4.992 2.320 204 2HB CYS 28 2HB CYS 28 5.423 -4.703 2.898 205 H ARG 29 H ARG 29 5.936 -2.083 1.240 206 HA ARG 29 HA ARG 29 3.065 -1.634 1.065 207 1HB ARG 29 1HB ARG 29 4.404 -1.428 3.401 208 2HB ARG 29 2HB ARG 29 4.797 0.159 2.771 209 1HG ARG 29 1HG ARG 29 2.801 0.702 3.803 210 2HG ARG 29 2HG ARG 29 2.152 0.215 2.250 211 1HD ARG 29 1HD ARG 29 1.408 -1.882 3.060 212 2HD ARG 29 2HD ARG 29 2.549 -1.892 4.390 213 HE ARG 29 HE ARG 29 0.529 0.263 4.478 214 1HH1 ARG 29 2HH2 ARG 29 1.441 -2.983 5.567 215 2HH1 ARG 29 1HH2 ARG 29 0.361 -2.968 6.920 216 1HH2 ARG 29 1HH ARG 29 -1.003 -1.036 7.312 217 H ILE 30 H ILE 30 2.428 0.075 -0.280 218 HA ILE 30 HA ILE 30 4.629 1.618 -1.462 219 HB ILE 30 HB ILE 30 3.400 1.733 -3.469 220 1HG1 ILE 30 1HG1 ILE 30 1.090 0.191 -3.179 221 2HG1 ILE 30 2HG1 ILE 30 1.105 1.205 -1.749 222 1HG2 ILE 30 1HG2 ILE 30 3.318 -0.546 -4.156 223 2HG2 ILE 30 2HG2 ILE 30 4.610 -0.405 -2.940 224 3HG2 ILE 30 3HG2 ILE 30 3.038 -1.107 -2.490 225 1HD1 ILE 30 1HD1 ILE 30 1.785 3.090 -3.570 226 2HD1 ILE 30 2HD1 ILE 30 0.883 1.986 -4.636 227 3HD1 ILE 30 3HD1 ILE 30 0.090 2.687 -3.204 228 H CYS 31 H CYS 31 4.048 3.886 -2.117 229 HA CYS 31 HA CYS 31 1.844 4.992 -0.598 230 1HB CYS 31 1HB CYS 31 4.582 5.165 0.282 231 2HB CYS 31 2HB CYS 31 3.994 6.763 -0.136 232 H VAL 32 H VAL 32 0.950 6.768 -1.700 233 HA VAL 32 HA VAL 32 2.545 8.001 -3.797 234 HB VAL 32 HB VAL 32 1.488 6.161 -4.933 235 1HG1 VAL 32 1HG1 VAL 32 -0.637 5.434 -4.641 236 2HG1 VAL 32 2HG1 VAL 32 -0.497 6.296 -3.090 237 3HG1 VAL 32 3HG1 VAL 32 -1.294 7.080 -4.474 238 1HG2 VAL 32 1HG2 VAL 32 -0.184 7.604 -6.405 239 2HG2 VAL 32 2HG2 VAL 32 0.514 8.943 -5.461 240 3HG2 VAL 32 3HG2 VAL 32 1.573 7.895 -6.436 241 H CYS 33 H CYS 33 2.124 10.179 -3.983 242 HA CYS 33 HA CYS 33 0.569 11.350 -1.954 243 1HB CYS 33 1HB CYS 33 2.616 12.333 -2.998 244 2HB CYS 33 2HB CYS 33 1.682 12.652 -4.447 245 H ASP 34 H ASP 34 -1.450 10.012 -2.541 246 HA ASP 34 HA ASP 34 -2.766 10.719 -4.946 247 1HB ASP 34 1HB ASP 34 -3.014 8.519 -3.686 248 2HB ASP 34 2HB ASP 34 -3.894 9.383 -2.442 249 HD2 ASP 34 HD ASP 34 -6.071 7.701 -4.786 250 H THR 35 H THR 35 -4.098 12.523 -5.222 251 HA THR 35 HA THR 35 -5.272 14.356 -4.765 252 HB THR 35 HB THR 35 -6.011 12.726 -2.279 253 HG1 THR 35 1HG THR 35 -7.266 13.259 -4.879 254 1HG2 THR 35 1HG2 THR 35 -8.155 14.355 -3.266 255 2HG2 THR 35 2HG2 THR 35 -7.348 14.480 -1.684 256 3HG2 THR 35 3HG2 THR 35 -6.750 15.428 -3.067 257 H GLY 36 H GLY 36 -2.422 14.101 -3.902 258 1HA GLY 36 1HA GLY 36 -1.003 15.681 -3.072 259 2HA GLY 36 2HA GLY 36 -2.355 16.555 -2.381 260 H THR 37 H THR 37 -2.998 13.475 -1.401 261 HA THR 37 HA THR 37 -1.558 13.888 1.125 262 HB THR 37 HB THR 37 -4.091 12.327 0.389 263 HG1 THR 37 1HG THR 37 -4.952 14.290 0.948 264 1HG2 THR 37 1HG2 THR 37 -2.516 12.648 2.969 265 2HG2 THR 37 2HG2 THR 37 -4.290 12.528 3.025 266 3HG2 THR 37 3HG2 THR 37 -3.331 11.198 2.336 267 H VAL 38 H VAL 38 -0.335 12.270 2.098 268 HA VAL 38 HA VAL 38 0.711 10.362 0.194 269 HB VAL 38 HB VAL 38 1.483 11.127 3.015 270 1HG1 VAL 38 1HG1 VAL 38 2.606 9.066 1.124 271 2HG1 VAL 38 2HG1 VAL 38 3.660 9.889 2.299 272 3HG1 VAL 38 3HG1 VAL 38 2.267 8.937 2.866 273 1HG2 VAL 38 1HG2 VAL 38 3.353 12.279 1.993 274 2HG2 VAL 38 2HG2 VAL 38 2.865 11.715 0.376 275 3HG2 VAL 38 3HG2 VAL 38 1.836 12.863 1.266 276 H LEU 39 H LEU 39 -0.925 8.813 -0.108 277 HA LEU 39 HA LEU 39 -1.790 7.431 2.328 278 1HB LEU 39 1HB LEU 39 -3.401 8.504 0.592 279 2HB LEU 39 2HB LEU 39 -3.028 7.098 -0.385 280 HG LEU 39 HG LEU 39 -3.689 5.774 1.803 281 1HD1 LEU 39 1HD1 LEU 39 -5.745 7.788 2.307 282 2HD1 LEU 39 2HD1 LEU 39 -4.750 6.848 3.445 283 3HD1 LEU 39 3HD1 LEU 39 -4.108 8.346 2.728 284 1HD2 LEU 39 1HD2 LEU 39 -6.219 6.263 0.909 285 2HD2 LEU 39 2HD2 LEU 39 -5.241 6.814 -0.472 286 3HD2 LEU 39 3HD2 LEU 39 -5.058 5.153 0.140 287 H CYS 40 H CYS 40 -1.197 5.336 2.711 288 HA CYS 40 HA CYS 40 0.582 4.179 0.710 289 1HB CYS 40 1HB CYS 40 0.507 4.212 3.631 290 2HB CYS 40 2HB CYS 40 0.729 2.600 2.982 291 H ASP 41 H ASP 41 -0.049 2.336 -0.405 292 HA ASP 41 HA ASP 41 -2.622 1.242 0.390 293 1HB ASP 41 1HB ASP 41 -1.442 1.970 -2.138 294 2HB ASP 41 2HB ASP 41 -1.680 0.233 -2.156 295 HD2 ASP 41 HD ASP 41 -3.582 -0.403 -2.680 296 H ASP 42 H ASP 42 -2.849 -1.197 0.181 297 HA ASP 42 HA ASP 42 -0.563 -2.452 1.272 298 1HB ASP 42 1HB ASP 42 -3.395 -3.212 0.613 299 2HB ASP 42 2HB ASP 42 -2.246 -4.527 0.748 300 HD2 ASP 42 HD ASP 42 -2.716 -5.370 2.670 301 H ILE 43 H ILE 43 0.320 -4.568 0.294 302 HA ILE 43 HA ILE 43 0.291 -4.384 -2.638 303 HB ILE 43 HB ILE 43 2.483 -5.190 -0.730 304 1HG1 ILE 43 1HG1 ILE 43 2.090 -2.864 -2.620 305 2HG1 ILE 43 2HG1 ILE 43 2.345 -2.823 -0.887 306 1HG2 ILE 43 1HG2 ILE 43 2.447 -5.364 -3.755 307 2HG2 ILE 43 2HG2 ILE 43 3.867 -5.617 -2.711 308 3HG2 ILE 43 3HG2 ILE 43 2.481 -6.730 -2.616 309 1HD1 ILE 43 1HD1 ILE 43 4.486 -2.303 -1.700 310 2HD1 ILE 43 2HD1 ILE 43 4.615 -4.060 -1.446 311 3HD1 ILE 43 3HD1 ILE 43 4.339 -3.416 -3.082 312 H ILE 44 H ILE 44 -0.778 -6.001 -3.628 313 HA ILE 44 HA ILE 44 -1.412 -8.360 -2.081 314 HB ILE 44 HB ILE 44 -2.736 -8.908 -4.170 315 1HG1 ILE 44 1HG1 ILE 44 -2.247 -6.019 -4.912 316 2HG1 ILE 44 2HG1 ILE 44 -1.305 -7.326 -5.600 317 1HG2 ILE 44 1HG2 ILE 44 -4.133 -8.182 -2.544 318 2HG2 ILE 44 2HG2 ILE 44 -3.199 -6.697 -2.240 319 3HG2 ILE 44 3HG2 ILE 44 -4.293 -6.787 -3.640 320 1HD1 ILE 44 1HD1 ILE 44 -3.683 -6.432 -6.639 321 2HD1 ILE 44 2HD1 ILE 44 -3.038 -8.069 -6.904 322 3HD1 ILE 44 3HD1 ILE 44 -4.246 -7.785 -5.630 323 H CYS 45 H CYS 45 0.165 -9.873 -1.908 324 HA CYS 45 HA CYS 45 1.762 -10.365 -4.308 325 1HB CYS 45 1HB CYS 45 3.179 -11.661 -2.513 326 2HB CYS 45 2HB CYS 45 3.354 -9.935 -2.759 327 H GLU 46 H GLU 46 2.303 -12.746 -4.680 328 HA GLU 46 HA GLU 46 0.005 -14.217 -4.863 329 1HB GLU 46 1HB GLU 46 2.947 -14.899 -5.025 330 2HB GLU 46 2HB GLU 46 1.761 -16.186 -5.114 331 1HG GLU 46 1HG GLU 46 1.563 -13.710 -6.876 332 2HG GLU 46 2HG GLU 46 2.521 -15.098 -7.350 333 HE2 GLU 46 HE GLU 46 -1.460 -15.267 -7.454 334 H ASP 47 H ASP 47 -0.340 -16.496 -3.871 335 HA ASP 47 HA ASP 47 0.569 -16.523 -1.114 336 1HB ASP 47 1HB ASP 47 -2.298 -17.095 -1.996 337 2HB ASP 47 2HB ASP 47 -1.699 -17.144 -0.350 338 HD2 ASP 47 HD ASP 47 -1.693 -15.299 0.733 339 H VAL 48 H VAL 48 1.021 -18.666 -0.384 340 HA VAL 48 HA VAL 48 -0.068 -20.920 -1.781 341 HB VAL 48 HB VAL 48 2.835 -20.145 -2.064 342 1HG1 VAL 48 1HG1 VAL 48 2.545 -22.573 -3.363 343 2HG1 VAL 48 2HG1 VAL 48 3.349 -22.312 -1.798 344 3HG1 VAL 48 3HG1 VAL 48 1.643 -22.813 -1.848 345 1HG2 VAL 48 1HG2 VAL 48 2.292 -20.717 -4.497 346 2HG2 VAL 48 2HG2 VAL 48 0.582 -20.704 -4.004 347 3HG2 VAL 48 3HG2 VAL 48 1.566 -19.231 -3.838 348 H LYS 49 H LYS 49 0.100 -22.830 -0.534 349 HA LYS 49 HA LYS 49 0.141 -22.566 2.162 350 1HB LYS 49 1HB LYS 49 0.439 -24.830 0.257 351 2HB LYS 49 2HB LYS 49 0.913 -25.143 1.915 352 1HG LYS 49 1HG LYS 49 -1.281 -25.415 2.423 353 2HG LYS 49 2HG LYS 49 -1.509 -23.701 2.143 354 1HD LYS 49 1HD LYS 49 -1.424 -25.388 -0.322 355 2HD LYS 49 2HD LYS 49 -2.796 -25.676 0.729 356 1HE LYS 49 1HE LYS 49 -2.936 -23.000 0.751 357 2HE LYS 49 2HE LYS 49 -2.031 -23.149 -0.743 358 1HZ LYS 49 1HZ LYS 49 -4.010 -23.565 -1.701 359 2HZ LYS 49 2HZ LYS 49 -4.040 -25.015 -0.961 360 H ASP 50 H ASP 50 2.909 -23.068 -0.056 361 HA ASP 50 HA ASP 50 4.700 -21.829 1.545 362 1HB ASP 50 1HB ASP 50 4.113 -24.471 2.541 363 2HB ASP 50 2HB ASP 50 5.735 -24.511 1.879 364 HD2 ASP 50 HD ASP 50 7.339 -23.413 3.977 365 H CYS 51 H CYS 51 3.956 -24.557 -0.655 366 HA CYS 51 HA CYS 51 4.855 -25.276 -2.523 367 1HB CYS 51 1HB CYS 51 4.510 -23.008 -3.301 368 2HB CYS 51 2HB CYS 51 6.049 -22.499 -2.634 369 H LEU 52 H LEU 52 7.017 -25.935 -3.579 370 HA LEU 52 HA LEU 52 8.657 -27.188 -1.881 371 1HB LEU 52 1HB LEU 52 9.006 -26.081 -4.623 372 2HB LEU 52 2HB LEU 52 10.428 -26.689 -3.799 373 HG LEU 52 HG LEU 52 7.925 -28.356 -4.062 374 1HD1 LEU 52 1HD1 LEU 52 8.712 -29.313 -6.095 375 2HD1 LEU 52 2HD1 LEU 52 8.703 -27.547 -6.311 376 3HD1 LEU 52 3HD1 LEU 52 10.237 -28.400 -6.014 377 1HD2 LEU 52 1HD2 LEU 52 9.668 -30.205 -3.931 378 2HD2 LEU 52 2HD2 LEU 52 10.824 -28.942 -3.446 379 3HD2 LEU 52 3HD2 LEU 52 9.384 -29.261 -2.449 380 H SER 53 H SER 53 10.174 -24.396 -3.552 381 HA SER 53 HA SER 53 11.187 -23.617 -0.930 382 1HB SER 53 1HB SER 53 12.475 -23.907 -3.603 383 2HB SER 53 2HB SER 53 12.943 -22.472 -2.712 384 HG SER 53 HG SER 53 13.987 -24.840 -2.390 385 HA PRO 54 HA PRO 54 9.011 -19.914 -1.835 386 1HB PRO 54 1HB PRO 54 9.510 -18.610 0.514 387 2HB PRO 54 2HB PRO 54 8.203 -19.760 0.316 388 1HG PRO 54 1HG PRO 54 10.785 -20.109 1.713 389 2HG PRO 54 2HG PRO 54 9.321 -21.060 1.860 390 1HD PRO 54 1HD PRO 54 11.699 -21.779 0.426 391 2HD PRO 54 2HD PRO 54 10.194 -22.676 0.476 392 H GLU 55 H GLU 55 9.396 -18.033 -2.892 393 HA GLU 55 HA GLU 55 11.835 -16.700 -2.307 394 1HB GLU 55 1HB GLU 55 12.825 -16.886 -4.558 395 2HB GLU 55 2HB GLU 55 12.681 -18.467 -3.815 396 1HG GLU 55 1HG GLU 55 10.359 -18.589 -5.053 397 2HG GLU 55 2HG GLU 55 10.977 -17.267 -6.023 398 HE2 GLU 55 HE GLU 55 10.982 -18.651 -7.736 399 H ILE 56 H ILE 56 11.598 -14.512 -2.724 400 HA ILE 56 HA ILE 56 9.046 -13.687 -3.740 401 HB ILE 56 HB ILE 56 10.730 -12.743 -1.840 402 1HG1 ILE 56 1HG1 ILE 56 8.716 -11.040 -3.330 403 2HG1 ILE 56 2HG1 ILE 56 8.276 -12.316 -2.212 404 1HG2 ILE 56 1HG2 ILE 56 11.151 -11.017 -4.292 405 2HG2 ILE 56 2HG2 ILE 56 11.533 -10.524 -2.624 406 3HG2 ILE 56 3HG2 ILE 56 12.387 -11.900 -3.364 407 1HD1 ILE 56 1HD1 ILE 56 9.397 -9.618 -1.659 408 2HD1 ILE 56 2HD1 ILE 56 8.352 -10.645 -0.648 409 3HD1 ILE 56 3HD1 ILE 56 10.108 -10.933 -0.692 410 HA PRO 57 HA PRO 57 10.560 -13.301 -7.808 411 1HB PRO 57 1HB PRO 57 8.208 -12.567 -8.989 412 2HB PRO 57 2HB PRO 57 8.654 -14.237 -8.698 413 1HG PRO 57 1HG PRO 57 6.699 -12.562 -7.246 414 2HG PRO 57 2HG PRO 57 6.853 -14.307 -7.258 415 1HD PRO 57 1HD PRO 57 7.687 -12.526 -5.171 416 2HD PRO 57 2HD PRO 57 7.945 -14.257 -5.236 417 H PHE 58 H PHE 58 11.880 -11.760 -8.519 418 HA PHE 58 HA PHE 58 12.722 -9.682 -8.522 419 1HB PHE 58 1HB PHE 58 10.948 -10.143 -10.486 420 2HB PHE 58 2HB PHE 58 9.977 -8.949 -9.649 421 HD1 PHE 58 1HD PHE 58 10.609 -6.612 -9.644 422 HD2 PHE 58 2HD PHE 58 13.033 -9.500 -11.591 423 HE1 PHE 58 1HE PHE 58 11.844 -4.776 -10.828 424 HE2 PHE 58 2HE PHE 58 14.268 -7.664 -12.775 425 HZ PHE 58 HZ PHE 58 13.659 -5.323 -12.380 426 H GLY 59 H GLY 59 11.582 -10.150 -5.953 427 1HA GLY 59 1HA GLY 59 10.933 -9.040 -4.111 428 2HA GLY 59 2HA GLY 59 11.408 -7.567 -4.933 429 H GLU 60 H GLU 60 8.836 -9.103 -3.449 430 HA GLU 60 HA GLU 60 6.984 -7.388 -4.890 431 1HB GLU 60 1HB GLU 60 6.382 -10.255 -4.038 432 2HB GLU 60 2HB GLU 60 5.235 -9.150 -4.769 433 1HG GLU 60 1HG GLU 60 7.689 -9.309 -6.367 434 2HG GLU 60 2HG GLU 60 7.007 -10.903 -6.118 435 HE2 GLU 60 HE GLU 60 6.498 -10.219 -8.749 436 H CYS 61 H CYS 61 6.701 -9.786 -2.175 437 HA CYS 61 HA CYS 61 6.830 -7.931 -0.129 438 1HB CYS 61 1HB CYS 61 4.817 -6.944 -1.076 439 2HB CYS 61 2HB CYS 61 3.998 -8.492 -1.032 440 H CYS 62 H CYS 62 5.326 -10.881 -1.528 441 HA CYS 62 HA CYS 62 5.665 -12.191 1.064 442 1HB CYS 62 1HB CYS 62 3.990 -13.031 -1.311 443 2HB CYS 62 2HB CYS 62 4.139 -13.915 0.194 444 HA PRO 63 HA PRO 63 9.079 -13.926 -1.196 445 1HB PRO 63 1HB PRO 63 10.539 -14.700 0.981 446 2HB PRO 63 2HB PRO 63 10.670 -13.111 0.256 447 1HG PRO 63 1HG PRO 63 9.324 -13.896 2.768 448 2HG PRO 63 2HG PRO 63 9.832 -12.303 2.247 449 1HD PRO 63 1HD PRO 63 7.158 -13.341 2.236 450 2HD PRO 63 2HD PRO 63 7.683 -11.791 1.609 451 H ILE 64 H ILE 64 6.975 -15.337 -1.604 452 HA ILE 64 HA ILE 64 7.788 -17.983 -0.631 453 HB ILE 64 HB ILE 64 5.664 -18.591 -0.084 454 1HG1 ILE 64 1HG1 ILE 64 4.733 -16.499 -2.046 455 2HG1 ILE 64 2HG1 ILE 64 4.478 -18.232 -2.082 456 1HG2 ILE 64 1HG2 ILE 64 4.948 -17.111 1.515 457 2HG2 ILE 64 2HG2 ILE 64 6.588 -16.494 1.206 458 3HG2 ILE 64 3HG2 ILE 64 5.181 -15.689 0.471 459 1HD1 ILE 64 1HD1 ILE 64 3.166 -17.928 0.137 460 2HD1 ILE 64 2HD1 ILE 64 3.186 -16.189 -0.240 461 3HD1 ILE 64 3HD1 ILE 64 2.395 -17.332 -1.353 462 H CYS 65 H CYS 65 6.744 -19.754 -2.118 463 HA CYS 65 HA CYS 65 7.331 -18.886 -4.832 464 1HB CYS 65 1HB CYS 65 8.640 -20.706 -4.527 465 2HB CYS 65 2HB CYS 65 7.578 -21.425 -3.332 466 HA PRO 66 HA PRO 66 2.969 -19.079 -5.424 467 1HB PRO 66 1HB PRO 66 2.915 -18.051 -7.955 468 2HB PRO 66 2HB PRO 66 2.922 -17.052 -6.514 469 1HG PRO 66 1HG PRO 66 5.128 -17.592 -8.408 470 2HG PRO 66 2HG PRO 66 4.980 -16.299 -7.235 471 1HD PRO 66 1HD PRO 66 6.597 -18.656 -6.995 472 2HD PRO 66 2HD PRO 66 6.358 -17.420 -5.776 473 H ALA 67 H ALA 67 1.392 -19.874 -7.237 474 HA ALA 67 HA ALA 67 1.742 -22.561 -7.448 475 1HB ALA 67 1HB ALA 67 -0.196 -22.485 -8.667 476 2HB ALA 67 2HB ALA 67 -0.200 -20.797 -8.104 477 3HB ALA 67 3HB ALA 67 0.398 -21.189 -9.733 478 H ASP 68 H ASP 68 2.323 -20.195 -10.154 479 HA ASP 68 HA ASP 68 4.693 -21.632 -10.832 480 1HB ASP 68 1HB ASP 68 2.151 -22.042 -12.259 481 2HB ASP 68 2HB ASP 68 3.397 -21.441 -13.335 482 HD2 ASP 68 HD ASP 68 4.060 -24.284 -14.163 483 H LEU 69 H LEU 69 5.561 -19.454 -10.346 484 HA LEU 69 HA LEU 69 5.926 -17.270 -10.675 485 1HB LEU 69 1HB LEU 69 6.469 -16.933 -13.253 486 2HB LEU 69 2HB LEU 69 7.530 -17.782 -12.147 487 HG LEU 69 HG LEU 69 5.474 -19.257 -13.790 488 1HD1 LEU 69 1HD1 LEU 69 8.175 -18.245 -14.642 489 2HD1 LEU 69 2HD1 LEU 69 7.498 -19.743 -15.323 490 3HD1 LEU 69 3HD1 LEU 69 6.623 -18.205 -15.513 491 1HD2 LEU 69 1HD2 LEU 69 8.062 -20.502 -13.155 492 2HD2 LEU 69 2HD2 LEU 69 7.067 -20.099 -11.735 493 3HD2 LEU 69 3HD2 LEU 69 6.407 -21.142 -13.017 494 H ALA 70 H ALA 70 3.856 -16.450 -9.998 495 HA ALA 70 HA ALA 70 2.260 -15.509 -12.280 496 1HB ALA 70 1HB ALA 70 0.988 -17.230 -11.178 497 2HB ALA 70 2HB ALA 70 1.363 -16.562 -9.572 498 3HB ALA 70 3HB ALA 70 0.299 -15.666 -10.682 499 H ALA 71 H ALA 71 2.621 -13.358 -12.491 500 HA ALA 71 HA ALA 71 3.114 -11.843 -10.028 501 1HB ALA 71 1HB ALA 71 4.910 -11.246 -11.287 502 2HB ALA 71 2HB ALA 71 4.141 -11.763 -12.807 503 3HB ALA 71 3HB ALA 71 3.752 -10.173 -12.110 504 H ALA 72 H ALA 72 1.528 -11.471 -13.285 505 HA ALA 72 HA ALA 72 -0.539 -9.895 -11.907 506 1HB ALA 72 1HB ALA 72 1.118 -9.361 -14.233 507 2HB ALA 72 2HB ALA 72 -0.605 -9.353 -14.678 508 3HB ALA 72 3HB ALA 72 -0.015 -8.284 -13.384 509 H ALA 73 H ALA 73 -2.753 -10.142 -12.765 510 HA ALA 73 HA ALA 73 -4.475 -11.486 -13.170 511 1HB ALA 73 1HB ALA 73 -3.844 -10.842 -15.454 512 2HB ALA 73 2HB ALA 73 -2.720 -12.220 -15.549 513 3HB ALA 73 3HB ALA 73 -4.473 -12.507 -15.432 Start of MODEL 12 1 1H TYR 1 H TYR 1 -6.956 8.410 11.709 2 HA TYR 1 HA TYR 1 -9.261 10.026 10.894 3 1HB TYR 1 1HB TYR 1 -8.559 11.376 12.857 4 2HB TYR 1 2HB TYR 1 -8.576 9.693 13.346 5 HD1 TYR 1 1HD TYR 1 -6.455 8.461 13.694 6 HD2 TYR 1 2HD TYR 1 -6.486 12.626 12.715 7 HE1 TYR 1 1HE TYR 1 -4.034 8.662 14.444 8 HE2 TYR 1 2HE TYR 1 -4.064 12.814 13.469 9 HH TYR 1 HH TYR 1 -2.628 11.179 15.330 10 H VAL 2 H VAL 2 -9.022 11.508 9.301 11 HA VAL 2 HA VAL 2 -6.369 12.692 8.961 12 HB VAL 2 HB VAL 2 -6.688 12.512 6.496 13 1HG1 VAL 2 1HG1 VAL 2 -6.140 10.250 8.340 14 2HG1 VAL 2 2HG1 VAL 2 -6.399 9.823 6.632 15 3HG1 VAL 2 3HG1 VAL 2 -5.119 10.979 7.077 16 1HG2 VAL 2 1HG2 VAL 2 -8.255 10.429 5.948 17 2HG2 VAL 2 2HG2 VAL 2 -9.122 11.020 7.386 18 3HG2 VAL 2 3HG2 VAL 2 -8.883 12.095 5.988 19 H GLU 3 H GLU 3 -6.586 14.676 7.398 20 HA GLU 3 HA GLU 3 -9.214 15.855 7.632 21 1HB GLU 3 1HB GLU 3 -7.723 16.482 9.657 22 2HB GLU 3 2HB GLU 3 -6.759 17.410 8.527 23 1HG GLU 3 1HG GLU 3 -9.041 18.494 7.801 24 2HG GLU 3 2HG GLU 3 -9.670 17.827 9.294 25 HE2 GLU 3 HE GLU 3 -9.175 19.899 11.070 26 H PHE 4 H PHE 4 -9.673 17.386 5.979 27 HA PHE 4 HA PHE 4 -8.274 17.064 3.609 28 1HB PHE 4 1HB PHE 4 -10.019 19.406 4.579 29 2HB PHE 4 2HB PHE 4 -9.758 18.970 2.901 30 HD1 PHE 4 1HD PHE 4 -11.754 18.420 5.820 31 HD2 PHE 4 2HD PHE 4 -10.631 16.719 2.098 32 HE1 PHE 4 1HE PHE 4 -13.767 16.922 5.897 33 HE2 PHE 4 2HE PHE 4 -12.644 15.221 2.174 34 HZ PHE 4 HZ PHE 4 -14.189 15.341 4.073 35 H GLN 5 H GLN 5 -6.376 17.893 2.882 36 HA GLN 5 HA GLN 5 -5.544 20.420 4.080 37 1HB GLN 5 1HB GLN 5 -4.192 17.841 4.088 38 2HB GLN 5 2HB GLN 5 -3.212 19.022 3.242 39 1HG GLN 5 1HG GLN 5 -2.982 20.401 5.130 40 2HG GLN 5 2HG GLN 5 -4.479 19.848 5.853 41 1HE2 GLN 5 1HE2 GLN 5 -4.557 17.974 7.035 42 2HE2 GLN 5 2HE2 GLN 5 -3.153 17.123 7.586 43 H GLU 6 H GLU 6 -3.956 21.665 2.657 44 HA GLU 6 HA GLU 6 -4.427 21.018 -0.145 45 1HB GLU 6 1HB GLU 6 -5.317 23.359 1.329 46 2HB GLU 6 2HB GLU 6 -4.189 23.852 0.082 47 1HG GLU 6 1HG GLU 6 -5.621 22.184 -1.440 48 2HG GLU 6 2HG GLU 6 -6.848 22.445 -0.215 49 HE2 GLU 6 HE GLU 6 -8.081 24.770 -1.689 50 H ALA 7 H ALA 7 -2.268 19.998 0.006 51 HA ALA 7 HA ALA 7 -0.166 22.039 -0.154 52 1HB ALA 7 1HB ALA 7 0.760 19.451 0.847 53 2HB ALA 7 2HB ALA 7 1.020 21.085 1.508 54 3HB ALA 7 3HB ALA 7 -0.457 20.182 1.921 55 H GLY 8 H GLY 8 -0.296 22.025 -2.447 56 1HA GLY 8 1HA GLY 8 -0.563 19.916 -4.142 57 2HA GLY 8 2HA GLY 8 0.414 21.333 -4.473 58 H SER 9 H SER 9 2.703 21.328 -3.418 59 HA SER 9 HA SER 9 4.064 19.157 -4.391 60 1HB SER 9 1HB SER 9 5.989 20.097 -2.955 61 2HB SER 9 2HB SER 9 5.276 21.178 -4.135 62 HG SER 9 HG SER 9 5.528 21.596 -1.506 63 H CYS 10 H CYS 10 4.682 17.169 -3.537 64 HA CYS 10 HA CYS 10 3.758 16.654 -0.813 65 1HB CYS 10 1HB CYS 10 4.533 14.470 -2.702 66 2HB CYS 10 2HB CYS 10 3.381 14.453 -1.380 67 H VAL 11 H VAL 11 5.337 16.525 0.744 68 HA VAL 11 HA VAL 11 8.089 16.181 -0.180 69 HB VAL 11 HB VAL 11 8.747 17.223 1.841 70 1HG1 VAL 11 1HG1 VAL 11 8.253 19.178 0.889 71 2HG1 VAL 11 2HG1 VAL 11 6.850 18.462 0.062 72 3HG1 VAL 11 3HG1 VAL 11 6.667 19.140 1.697 73 1HG2 VAL 11 1HG2 VAL 11 5.903 16.740 2.745 74 2HG2 VAL 11 2HG2 VAL 11 7.424 16.230 3.516 75 3HG2 VAL 11 3HG2 VAL 11 6.951 17.945 3.531 76 H GLN 12 H GLN 12 8.803 14.114 -0.192 77 HA GLN 12 HA GLN 12 7.763 12.393 1.919 78 1HB GLN 12 1HB GLN 12 7.440 11.879 -0.647 79 2HB GLN 12 2HB GLN 12 9.115 11.368 -0.590 80 1HG GLN 12 1HG GLN 12 6.881 10.291 1.196 81 2HG GLN 12 2HG GLN 12 7.550 9.463 -0.197 82 1HE2 GLN 12 1HE2 GLN 12 7.534 9.369 2.975 83 2HE2 GLN 12 2HE2 GLN 12 9.136 8.835 3.359 84 H ASP 13 H ASP 13 9.232 12.651 3.602 85 HA ASP 13 HA ASP 13 11.063 12.360 4.728 86 1HB ASP 13 1HB ASP 13 11.494 10.633 2.388 87 2HB ASP 13 2HB ASP 13 13.014 11.257 2.997 88 HD2 ASP 13 HD ASP 13 12.151 8.086 4.311 89 H GLY 14 H GLY 14 10.617 14.488 2.371 90 1HA GLY 14 1HA GLY 14 11.787 16.553 2.389 91 2HA GLY 14 2HA GLY 14 13.294 15.693 2.635 92 H GLN 15 H GLN 15 10.891 14.399 0.370 93 HA GLN 15 HA GLN 15 12.603 15.336 -1.799 94 1HB GLN 15 1HB GLN 15 11.265 12.640 -1.378 95 2HB GLN 15 2HB GLN 15 11.790 13.160 -2.967 96 1HG GLN 15 1HG GLN 15 13.792 13.450 -0.751 97 2HG GLN 15 2HG GLN 15 13.402 11.811 -1.232 98 1HE2 GLN 15 1HE2 GLN 15 15.833 13.473 -1.544 99 2HE2 GLN 15 2HE2 GLN 15 16.237 13.449 -3.228 100 H ARG 16 H ARG 16 11.593 16.282 -3.579 101 HA ARG 16 HA ARG 16 8.847 16.914 -3.176 102 1HB ARG 16 1HB ARG 16 11.109 17.970 -4.707 103 2HB ARG 16 2HB ARG 16 9.694 17.855 -5.735 104 1HG ARG 16 1HG ARG 16 8.422 19.329 -4.389 105 2HG ARG 16 2HG ARG 16 9.404 19.043 -2.966 106 1HD ARG 16 1HD ARG 16 10.956 20.637 -3.553 107 2HD ARG 16 2HD ARG 16 10.926 20.190 -5.247 108 HE ARG 16 HE ARG 16 8.438 21.387 -4.792 109 1HH1 ARG 16 2HH2 ARG 16 11.818 22.389 -4.448 110 2HH1 ARG 16 1HH2 ARG 16 11.481 24.063 -4.733 111 1HH2 ARG 16 1HH ARG 16 9.224 24.751 -5.156 112 H TYR 17 H TYR 17 7.168 15.705 -3.997 113 HA TYR 17 HA TYR 17 7.644 14.269 -6.510 114 1HB TYR 17 1HB TYR 17 6.545 13.358 -3.792 115 2HB TYR 17 2HB TYR 17 6.111 12.489 -5.251 116 HD1 TYR 17 1HD TYR 17 8.276 12.457 -2.550 117 HD2 TYR 17 2HD TYR 17 8.309 11.940 -6.797 118 HE1 TYR 17 1HE TYR 17 10.407 11.083 -2.374 119 HE2 TYR 17 2HE TYR 17 10.441 10.567 -6.605 120 HH TYR 17 HH TYR 17 12.283 10.488 -3.761 121 H ASN 18 H ASN 18 5.695 13.825 -7.747 122 HA ASN 18 HA ASN 18 3.852 15.941 -7.499 123 1HB ASN 18 1HB ASN 18 4.706 14.294 -9.562 124 2HB ASN 18 2HB ASN 18 3.127 13.611 -9.230 125 1HD2 ASN 18 1HD2 ASN 18 4.851 16.025 -10.789 126 2HD2 ASN 18 2HD2 ASN 18 3.557 17.074 -11.261 127 H ASP 19 H ASP 19 1.387 14.631 -8.273 128 HA ASP 19 HA ASP 19 0.657 13.571 -5.712 129 1HB ASP 19 1HB ASP 19 -1.141 13.897 -8.148 130 2HB ASP 19 2HB ASP 19 -1.626 13.849 -6.466 131 HD2 ASP 19 HD ASP 19 -0.809 16.193 -8.912 132 H LYS 20 H LYS 20 -0.027 12.684 -9.193 133 HA LYS 20 HA LYS 20 -0.712 10.031 -8.582 134 1HB LYS 20 1HB LYS 20 -0.692 9.710 -11.004 135 2HB LYS 20 2HB LYS 20 -1.528 11.186 -10.566 136 1HG LYS 20 1HG LYS 20 0.550 12.501 -11.066 137 2HG LYS 20 2HG LYS 20 1.367 11.021 -11.530 138 1HD LYS 20 1HD LYS 20 -0.019 10.708 -13.450 139 2HD LYS 20 2HD LYS 20 -1.253 11.800 -12.853 140 1HE LYS 20 1HE LYS 20 1.351 13.150 -13.103 141 2HE LYS 20 2HE LYS 20 0.843 12.448 -14.626 142 1HZ LYS 20 1HZ LYS 20 -1.209 13.899 -13.146 143 2HZ LYS 20 2HZ LYS 20 -0.028 14.811 -13.798 144 H ASP 21 H ASP 21 2.297 11.655 -8.567 145 HA ASP 21 HA ASP 21 3.948 9.713 -9.624 146 1HB ASP 21 1HB ASP 21 4.214 12.024 -7.743 147 2HB ASP 21 2HB ASP 21 5.492 10.830 -7.641 148 HD2 ASP 21 HD ASP 21 6.962 12.538 -8.632 149 H VAL 22 H VAL 22 4.092 7.588 -8.884 150 HA VAL 22 HA VAL 22 3.561 7.104 -6.052 151 HB VAL 22 HB VAL 22 2.230 5.910 -7.736 152 1HG1 VAL 22 1HG1 VAL 22 4.893 4.720 -8.583 153 2HG1 VAL 22 2HG1 VAL 22 3.296 4.136 -9.108 154 3HG1 VAL 22 3HG1 VAL 22 3.837 5.772 -9.554 155 1HG2 VAL 22 1HG2 VAL 22 3.807 3.665 -6.655 156 2HG2 VAL 22 2HG2 VAL 22 3.358 4.898 -5.452 157 3HG2 VAL 22 3HG2 VAL 22 2.096 4.092 -6.414 158 H TRP 23 H TRP 23 5.018 5.773 -4.789 159 HA TRP 23 HA TRP 23 7.645 5.330 -5.962 160 1HB TRP 23 1HB TRP 23 8.825 6.488 -4.242 161 2HB TRP 23 2HB TRP 23 7.734 7.604 -5.037 162 HD1 TRP 23 HD TRP 23 8.095 5.720 -1.670 163 HE1 TRP 23 1HE TRP 23 6.694 6.904 0.228 164 HE3 TRP 23 3HE TRP 23 5.822 9.093 -4.723 165 HZ2 TRP 23 2HZ TRP 23 4.835 9.069 0.240 166 HZ3 TRP 23 3HZ TRP 23 4.229 10.706 -3.688 167 HH2 TRP 23 HH TRP 23 3.722 10.730 -1.296 168 H LYS 24 H LYS 24 8.855 3.711 -4.734 169 HA LYS 24 HA LYS 24 7.084 2.165 -2.976 170 1HB LYS 24 1HB LYS 24 7.681 1.053 -5.089 171 2HB LYS 24 2HB LYS 24 9.384 1.232 -4.720 172 1HG LYS 24 1HG LYS 24 7.746 -0.041 -2.568 173 2HG LYS 24 2HG LYS 24 7.887 -0.973 -4.044 174 1HD LYS 24 1HD LYS 24 10.332 0.246 -2.701 175 2HD LYS 24 2HD LYS 24 9.709 -1.318 -2.214 176 1HE LYS 24 1HE LYS 24 10.057 -0.953 -5.161 177 2HE LYS 24 2HE LYS 24 11.542 -0.956 -4.230 178 1HZ LYS 24 1HZ LYS 24 10.065 -3.050 -3.215 179 2HZ LYS 24 2HZ LYS 24 9.829 -3.155 -4.823 180 HA PRO 25 HA PRO 25 10.095 3.551 -0.059 181 1HB PRO 25 1HB PRO 25 8.517 3.280 2.156 182 2HB PRO 25 2HB PRO 25 8.578 4.745 1.198 183 1HG PRO 25 1HG PRO 25 6.464 2.682 1.296 184 2HG PRO 25 2HG PRO 25 6.367 4.324 0.692 185 1HD PRO 25 1HD PRO 25 6.557 1.929 -0.875 186 2HD PRO 25 2HD PRO 25 6.577 3.577 -1.471 187 H GLU 26 H GLU 26 8.076 0.705 0.278 188 HA GLU 26 HA GLU 26 10.489 -0.708 0.998 189 1HB GLU 26 1HB GLU 26 7.953 -0.684 2.687 190 2HB GLU 26 2HB GLU 26 9.180 -1.926 2.835 191 1HG GLU 26 1HG GLU 26 10.792 0.254 3.004 192 2HG GLU 26 2HG GLU 26 9.312 0.977 3.601 193 HE2 GLU 26 HE GLU 26 11.511 -1.546 5.612 194 HA PRO 27 HA PRO 27 8.651 -3.670 -1.588 195 1HB PRO 27 1HB PRO 27 10.040 -5.923 -0.908 196 2HB PRO 27 2HB PRO 27 10.675 -4.694 -1.984 197 1HG PRO 27 1HG PRO 27 11.381 -5.233 0.836 198 2HG PRO 27 2HG PRO 27 12.275 -4.322 -0.364 199 1HD PRO 27 1HD PRO 27 10.710 -3.251 1.788 200 2HD PRO 27 2HD PRO 27 11.508 -2.343 0.520 201 H CYS 28 H CYS 28 6.858 -3.028 0.252 202 HA CYS 28 HA CYS 28 5.444 -5.452 0.464 203 1HB CYS 28 1HB CYS 28 7.240 -5.033 2.576 204 2HB CYS 28 2HB CYS 28 5.678 -4.558 3.212 205 H ARG 29 H ARG 29 6.066 -2.064 1.464 206 HA ARG 29 HA ARG 29 3.190 -1.645 1.292 207 1HB ARG 29 1HB ARG 29 4.316 -1.403 3.638 208 2HB ARG 29 2HB ARG 29 5.062 0.050 3.003 209 1HG ARG 29 1HG ARG 29 3.134 1.245 3.206 210 2HG ARG 29 2HG ARG 29 2.195 0.009 2.394 211 1HD ARG 29 1HD ARG 29 1.278 -0.567 4.388 212 2HD ARG 29 2HD ARG 29 2.857 -1.091 4.941 213 HE ARG 29 HE ARG 29 3.150 0.972 6.081 214 1HH1 ARG 29 2HH2 ARG 29 0.182 1.027 4.147 215 2HH1 ARG 29 1HH2 ARG 29 -0.432 2.460 4.903 216 1HH2 ARG 29 1HH ARG 29 0.854 3.521 6.624 217 H ILE 30 H ILE 30 2.534 0.019 -0.100 218 HA ILE 30 HA ILE 30 4.716 1.507 -1.376 219 HB ILE 30 HB ILE 30 3.297 1.687 -3.305 220 1HG1 ILE 30 1HG1 ILE 30 1.131 0.148 -3.169 221 2HG1 ILE 30 2HG1 ILE 30 1.208 0.577 -1.472 222 1HG2 ILE 30 1HG2 ILE 30 4.537 -0.204 -3.592 223 2HG2 ILE 30 2HG2 ILE 30 3.877 -1.000 -2.142 224 3HG2 ILE 30 3HG2 ILE 30 2.906 -0.917 -3.632 225 1HD1 ILE 30 1HD1 ILE 30 -0.104 2.122 -3.189 226 2HD1 ILE 30 2HD1 ILE 30 0.851 2.855 -1.877 227 3HD1 ILE 30 3HD1 ILE 30 1.520 2.771 -3.524 228 H CYS 31 H CYS 31 4.355 3.784 -1.877 229 HA CYS 31 HA CYS 31 2.187 4.989 -0.356 230 1HB CYS 31 1HB CYS 31 5.110 5.691 -0.045 231 2HB CYS 31 2HB CYS 31 3.801 6.733 0.475 232 H VAL 32 H VAL 32 1.253 6.679 -1.518 233 HA VAL 32 HA VAL 32 2.824 7.949 -3.603 234 HB VAL 32 HB VAL 32 1.879 6.060 -4.751 235 1HG1 VAL 32 1HG1 VAL 32 -0.594 6.823 -3.261 236 2HG1 VAL 32 2HG1 VAL 32 -0.789 6.152 -4.898 237 3HG1 VAL 32 3HG1 VAL 32 0.062 5.215 -3.647 238 1HG2 VAL 32 1HG2 VAL 32 -0.022 8.152 -5.671 239 2HG2 VAL 32 2HG2 VAL 32 1.693 8.620 -5.591 240 3HG2 VAL 32 3HG2 VAL 32 1.197 7.225 -6.578 241 H CYS 33 H CYS 33 2.130 10.072 -4.045 242 HA CYS 33 HA CYS 33 0.501 11.185 -1.984 243 1HB CYS 33 1HB CYS 33 2.544 12.282 -2.866 244 2HB CYS 33 2HB CYS 33 1.738 12.514 -4.404 245 H ASP 34 H ASP 34 -1.390 9.709 -2.735 246 HA ASP 34 HA ASP 34 -2.597 10.354 -5.199 247 1HB ASP 34 1HB ASP 34 -2.805 8.276 -3.429 248 2HB ASP 34 2HB ASP 34 -4.233 9.184 -2.974 249 HD2 ASP 34 HD ASP 34 -3.207 6.857 -5.199 250 H THR 35 H THR 35 -4.134 11.983 -5.599 251 HA THR 35 HA THR 35 -5.419 13.766 -5.257 252 HB THR 35 HB THR 35 -6.058 12.259 -2.666 253 HG1 THR 35 1HG THR 35 -6.928 10.992 -4.265 254 1HG2 THR 35 1HG2 THR 35 -7.560 13.918 -2.213 255 2HG2 THR 35 2HG2 THR 35 -6.966 14.842 -3.613 256 3HG2 THR 35 3HG2 THR 35 -8.291 13.672 -3.817 257 H GLY 36 H GLY 36 -2.555 13.723 -4.338 258 1HA GLY 36 1HA GLY 36 -1.255 15.463 -3.628 259 2HA GLY 36 2HA GLY 36 -2.666 16.274 -2.974 260 H THR 37 H THR 37 -3.207 13.314 -1.763 261 HA THR 37 HA THR 37 -1.732 13.922 0.696 262 HB THR 37 HB THR 37 -4.197 12.212 0.076 263 HG1 THR 37 1HG THR 37 -5.189 14.102 0.768 264 1HG2 THR 37 1HG2 THR 37 -3.719 13.051 2.861 265 2HG2 THR 37 2HG2 THR 37 -4.171 11.447 2.236 266 3HG2 THR 37 3HG2 THR 37 -2.459 11.936 2.280 267 H VAL 38 H VAL 38 -0.283 12.544 1.640 268 HA VAL 38 HA VAL 38 0.777 10.529 -0.115 269 HB VAL 38 HB VAL 38 1.573 11.512 2.631 270 1HG1 VAL 38 1HG1 VAL 38 2.655 9.340 0.890 271 2HG1 VAL 38 2HG1 VAL 38 3.825 10.387 1.730 272 3HG1 VAL 38 3HG1 VAL 38 2.613 9.476 2.665 273 1HG2 VAL 38 1HG2 VAL 38 2.065 13.306 1.285 274 2HG2 VAL 38 2HG2 VAL 38 3.558 12.357 1.080 275 3HG2 VAL 38 3HG2 VAL 38 2.290 12.300 -0.167 276 H LEU 39 H LEU 39 -0.774 8.874 -0.263 277 HA LEU 39 HA LEU 39 -1.473 7.605 2.287 278 1HB LEU 39 1HB LEU 39 -3.153 8.487 0.411 279 2HB LEU 39 2HB LEU 39 -2.837 6.900 -0.259 280 HG LEU 39 HG LEU 39 -3.545 5.875 1.897 281 1HD1 LEU 39 1HD1 LEU 39 -3.719 8.727 2.687 282 2HD1 LEU 39 2HD1 LEU 39 -5.043 7.671 3.236 283 3HD1 LEU 39 3HD1 LEU 39 -3.359 7.278 3.656 284 1HD2 LEU 39 1HD2 LEU 39 -5.538 5.658 0.950 285 2HD2 LEU 39 2HD2 LEU 39 -5.976 7.327 1.384 286 3HD2 LEU 39 3HD2 LEU 39 -5.129 6.999 -0.146 287 H CYS 40 H CYS 40 -1.251 5.300 2.506 288 HA CYS 40 HA CYS 40 0.597 4.173 0.528 289 1HB CYS 40 1HB CYS 40 0.621 3.639 3.505 290 2HB CYS 40 2HB CYS 40 1.704 2.952 2.312 291 H ASP 41 H ASP 41 -0.024 2.162 -0.284 292 HA ASP 41 HA ASP 41 -2.464 1.089 0.884 293 1HB ASP 41 1HB ASP 41 -2.537 1.781 -1.527 294 2HB ASP 41 2HB ASP 41 -1.235 0.663 -1.882 295 HD2 ASP 41 HD ASP 41 -3.253 -1.802 -2.614 296 H ASP 42 H ASP 42 -2.611 -1.422 0.707 297 HA ASP 42 HA ASP 42 -0.131 -2.479 1.666 298 1HB ASP 42 1HB ASP 42 -1.667 -4.619 1.815 299 2HB ASP 42 2HB ASP 42 -1.920 -3.295 2.934 300 HD2 ASP 42 HD ASP 42 -3.811 -2.260 2.828 301 H ILE 43 H ILE 43 1.261 -3.740 0.396 302 HA ILE 43 HA ILE 43 0.677 -4.057 -2.361 303 HB ILE 43 HB ILE 43 2.927 -5.111 -0.646 304 1HG1 ILE 43 1HG1 ILE 43 2.716 -2.636 -2.385 305 2HG1 ILE 43 2HG1 ILE 43 2.794 -2.673 -0.635 306 1HG2 ILE 43 1HG2 ILE 43 4.141 -5.392 -2.777 307 2HG2 ILE 43 2HG2 ILE 43 2.722 -6.457 -2.648 308 3HG2 ILE 43 3HG2 ILE 43 2.649 -4.996 -3.661 309 1HD1 ILE 43 1HD1 ILE 43 4.963 -3.160 -2.649 310 2HD1 ILE 43 2HD1 ILE 43 5.040 -2.342 -1.070 311 3HD1 ILE 43 3HD1 ILE 43 5.022 -4.120 -1.151 312 H ILE 44 H ILE 44 -1.034 -5.389 -2.845 313 HA ILE 44 HA ILE 44 -1.221 -7.929 -1.458 314 HB ILE 44 HB ILE 44 -3.312 -8.121 -2.865 315 1HG1 ILE 44 1HG1 ILE 44 -2.929 -5.170 -3.388 316 2HG1 ILE 44 2HG1 ILE 44 -2.439 -6.385 -4.552 317 1HG2 ILE 44 1HG2 ILE 44 -4.390 -6.124 -1.498 318 2HG2 ILE 44 2HG2 ILE 44 -3.796 -7.599 -0.697 319 3HG2 ILE 44 3HG2 ILE 44 -2.797 -6.126 -0.704 320 1HD1 ILE 44 1HD1 ILE 44 -4.573 -6.565 -5.276 321 2HD1 ILE 44 2HD1 ILE 44 -5.087 -7.072 -3.649 322 3HD1 ILE 44 3HD1 ILE 44 -5.075 -5.345 -4.080 323 H CYS 45 H CYS 45 0.091 -9.536 -2.146 324 HA CYS 45 HA CYS 45 0.664 -9.630 -5.008 325 1HB CYS 45 1HB CYS 45 2.422 -11.344 -4.165 326 2HB CYS 45 2HB CYS 45 2.713 -9.623 -4.007 327 H GLU 46 H GLU 46 0.903 -12.043 -5.817 328 HA GLU 46 HA GLU 46 -1.568 -13.227 -5.584 329 1HB GLU 46 1HB GLU 46 1.078 -13.959 -6.767 330 2HB GLU 46 2HB GLU 46 -0.028 -15.291 -6.493 331 1HG GLU 46 1HG GLU 46 -0.891 -12.740 -7.920 332 2HG GLU 46 2HG GLU 46 -0.186 -14.095 -8.781 333 HE2 GLU 46 HE GLU 46 -3.205 -14.053 -6.456 334 H ASP 47 H ASP 47 -2.111 -15.440 -4.736 335 HA ASP 47 HA ASP 47 -0.516 -16.015 -2.364 336 1HB ASP 47 1HB ASP 47 -2.633 -16.700 -1.241 337 2HB ASP 47 2HB ASP 47 -2.653 -15.008 -1.695 338 HD2 ASP 47 HD ASP 47 -4.815 -15.412 -4.313 339 H VAL 48 H VAL 48 -1.413 -18.419 -1.546 340 HA VAL 48 HA VAL 48 -2.144 -20.143 -3.708 341 HB VAL 48 HB VAL 48 0.437 -19.590 -3.783 342 1HG1 VAL 48 1HG1 VAL 48 0.444 -20.486 -1.260 343 2HG1 VAL 48 2HG1 VAL 48 0.692 -22.038 -2.096 344 3HG1 VAL 48 3HG1 VAL 48 1.833 -20.695 -2.353 345 1HG2 VAL 48 1HG2 VAL 48 0.542 -21.303 -5.241 346 2HG2 VAL 48 2HG2 VAL 48 0.059 -22.504 -4.019 347 3HG2 VAL 48 3HG2 VAL 48 -1.179 -21.531 -4.850 348 H LYS 49 H LYS 49 -1.255 -22.580 -2.518 349 HA LYS 49 HA LYS 49 -2.509 -22.410 0.131 350 1HB LYS 49 1HB LYS 49 -3.492 -24.699 -0.446 351 2HB LYS 49 2HB LYS 49 -4.237 -23.290 -1.172 352 1HG LYS 49 1HG LYS 49 -3.450 -23.788 -3.307 353 2HG LYS 49 2HG LYS 49 -1.993 -24.559 -2.713 354 1HD LYS 49 1HD LYS 49 -3.157 -26.588 -2.151 355 2HD LYS 49 2HD LYS 49 -4.728 -25.817 -2.269 356 1HE LYS 49 1HE LYS 49 -3.244 -25.542 -4.785 357 2HE LYS 49 2HE LYS 49 -3.366 -27.226 -4.318 358 1HZ LYS 49 1HZ LYS 49 -5.302 -26.356 -5.632 359 2HZ LYS 49 2HZ LYS 49 -5.739 -27.042 -4.222 360 H ASP 50 H ASP 50 -0.025 -22.137 0.491 361 HA ASP 50 HA ASP 50 1.554 -23.122 1.695 362 1HB ASP 50 1HB ASP 50 -0.122 -25.189 1.787 363 2HB ASP 50 2HB ASP 50 0.949 -25.874 0.581 364 HD2 ASP 50 HD ASP 50 1.472 -27.462 2.085 365 H CYS 51 H CYS 51 0.790 -24.583 -1.536 366 HA CYS 51 HA CYS 51 1.977 -24.883 -3.356 367 1HB CYS 51 1HB CYS 51 2.877 -22.400 -2.334 368 2HB CYS 51 2HB CYS 51 4.297 -23.246 -2.915 369 H LEU 52 H LEU 52 4.861 -24.915 -3.766 370 HA LEU 52 HA LEU 52 5.481 -27.271 -2.156 371 1HB LEU 52 1HB LEU 52 6.351 -26.267 -4.846 372 2HB LEU 52 2HB LEU 52 7.330 -27.429 -3.975 373 HG LEU 52 HG LEU 52 4.800 -28.552 -3.850 374 1HD1 LEU 52 1HD1 LEU 52 4.807 -28.224 -6.706 375 2HD1 LEU 52 2HD1 LEU 52 3.507 -27.906 -5.532 376 3HD1 LEU 52 3HD1 LEU 52 4.688 -26.633 -5.917 377 1HD2 LEU 52 1HD2 LEU 52 7.097 -29.034 -5.761 378 2HD2 LEU 52 2HD2 LEU 52 6.777 -29.838 -4.206 379 3HD2 LEU 52 3HD2 LEU 52 5.698 -30.120 -5.592 380 H SER 53 H SER 53 7.140 -24.322 -3.492 381 HA SER 53 HA SER 53 8.557 -24.211 -0.956 382 1HB SER 53 1HB SER 53 9.711 -24.300 -3.737 383 2HB SER 53 2HB SER 53 10.513 -23.290 -2.550 384 HG SER 53 HG SER 53 9.824 -25.942 -1.762 385 HA PRO 54 HA PRO 54 7.068 -20.106 -1.433 386 1HB PRO 54 1HB PRO 54 7.789 -19.171 1.032 387 2HB PRO 54 2HB PRO 54 6.295 -20.036 0.735 388 1HG PRO 54 1HG PRO 54 8.763 -20.997 2.048 389 2HG PRO 54 2HG PRO 54 7.149 -21.675 2.116 390 1HD PRO 54 1HD PRO 54 9.361 -22.659 0.577 391 2HD PRO 54 2HD PRO 54 7.717 -23.266 0.556 392 H GLU 55 H GLU 55 7.870 -18.478 -2.595 393 HA GLU 55 HA GLU 55 10.433 -17.502 -1.787 394 1HB GLU 55 1HB GLU 55 10.678 -19.510 -3.511 395 2HB GLU 55 2HB GLU 55 10.221 -18.300 -4.694 396 1HG GLU 55 1HG GLU 55 12.344 -17.509 -4.696 397 2HG GLU 55 2HG GLU 55 12.176 -17.066 -3.009 398 HE2 GLU 55 HE GLU 55 14.753 -18.605 -2.514 399 H ILE 56 H ILE 56 10.432 -15.295 -2.015 400 HA ILE 56 HA ILE 56 8.147 -14.063 -3.171 401 HB ILE 56 HB ILE 56 9.938 -13.428 -1.217 402 1HG1 ILE 56 1HG1 ILE 56 8.157 -11.450 -2.666 403 2HG1 ILE 56 2HG1 ILE 56 7.566 -12.672 -1.558 404 1HG2 ILE 56 1HG2 ILE 56 11.699 -12.764 -2.699 405 2HG2 ILE 56 2HG2 ILE 56 10.595 -11.727 -3.634 406 3HG2 ILE 56 3HG2 ILE 56 11.011 -11.299 -1.957 407 1HD1 ILE 56 1HD1 ILE 56 9.054 -11.734 0.239 408 2HD1 ILE 56 2HD1 ILE 56 9.552 -10.452 -0.891 409 3HD1 ILE 56 3HD1 ILE 56 7.858 -10.556 -0.354 410 HA PRO 57 HA PRO 57 9.858 -13.890 -7.181 411 1HB PRO 57 1HB PRO 57 7.661 -12.871 -8.446 412 2HB PRO 57 2HB PRO 57 7.888 -14.584 -8.152 413 1HG PRO 57 1HG PRO 57 6.096 -12.687 -6.763 414 2HG PRO 57 2HG PRO 57 6.038 -14.438 -6.784 415 1HD PRO 57 1HD PRO 57 6.999 -12.779 -4.651 416 2HD PRO 57 2HD PRO 57 7.047 -14.529 -4.720 417 H PHE 58 H PHE 58 11.375 -12.519 -7.844 418 HA PHE 58 HA PHE 58 12.466 -10.562 -7.813 419 1HB PHE 58 1HB PHE 58 10.998 -10.694 -9.912 420 2HB PHE 58 2HB PHE 58 9.760 -9.789 -9.063 421 HD1 PHE 58 1HD PHE 58 13.394 -9.486 -9.889 422 HD2 PHE 58 2HD PHE 58 9.659 -7.521 -9.445 423 HE1 PHE 58 1HE PHE 58 14.431 -7.336 -10.665 424 HE2 PHE 58 2HE PHE 58 10.697 -5.371 -10.221 425 HZ PHE 58 HZ PHE 58 13.071 -5.305 -10.823 426 H GLY 59 H GLY 59 11.204 -10.914 -5.275 427 1HA GLY 59 1HA GLY 59 10.651 -9.753 -3.433 428 2HA GLY 59 2HA GLY 59 11.342 -8.346 -4.218 429 H GLU 60 H GLU 60 8.541 -9.556 -2.840 430 HA GLU 60 HA GLU 60 6.979 -7.587 -4.299 431 1HB GLU 60 1HB GLU 60 5.973 -10.356 -3.508 432 2HB GLU 60 2HB GLU 60 5.010 -9.101 -4.261 433 1HG GLU 60 1HG GLU 60 7.469 -9.567 -5.786 434 2HG GLU 60 2HG GLU 60 6.583 -11.064 -5.573 435 HE2 GLU 60 HE GLU 60 5.084 -8.118 -7.811 436 H CYS 61 H CYS 61 6.287 -9.959 -1.637 437 HA CYS 61 HA CYS 61 6.602 -8.159 0.442 438 1HB CYS 61 1HB CYS 61 4.727 -6.957 -0.627 439 2HB CYS 61 2HB CYS 61 3.723 -8.383 -0.460 440 H CYS 62 H CYS 62 4.763 -10.872 -1.036 441 HA CYS 62 HA CYS 62 4.891 -12.252 1.540 442 1HB CYS 62 1HB CYS 62 3.167 -13.770 0.548 443 2HB CYS 62 2HB CYS 62 2.645 -12.126 0.858 444 HA PRO 63 HA PRO 63 8.029 -14.437 -0.714 445 1HB PRO 63 1HB PRO 63 9.277 -15.532 1.457 446 2HB PRO 63 2HB PRO 63 9.681 -13.952 0.816 447 1HG PRO 63 1HG PRO 63 8.147 -14.628 3.252 448 2HG PRO 63 2HG PRO 63 8.916 -13.113 2.825 449 1HD PRO 63 1HD PRO 63 6.114 -13.713 2.695 450 2HD PRO 63 2HD PRO 63 6.897 -12.239 2.159 451 H ILE 64 H ILE 64 5.858 -15.513 -1.370 452 HA ILE 64 HA ILE 64 6.162 -18.280 -0.450 453 HB ILE 64 HB ILE 64 3.944 -18.571 -0.036 454 1HG1 ILE 64 1HG1 ILE 64 3.437 -16.265 -1.918 455 2HG1 ILE 64 2HG1 ILE 64 2.968 -17.943 -2.096 456 1HG2 ILE 64 1HG2 ILE 64 3.271 -16.958 1.518 457 2HG2 ILE 64 2HG2 ILE 64 5.044 -16.813 1.478 458 3HG2 ILE 64 3HG2 ILE 64 4.034 -15.628 0.615 459 1HD1 ILE 64 1HD1 ILE 64 1.624 -17.541 0.148 460 2HD1 ILE 64 2HD1 ILE 64 1.781 -15.824 -0.294 461 3HD1 ILE 64 3HD1 ILE 64 0.958 -16.955 -1.395 462 H CYS 65 H CYS 65 4.669 -19.696 -2.098 463 HA CYS 65 HA CYS 65 5.735 -18.956 -4.702 464 1HB CYS 65 1HB CYS 65 6.411 -21.087 -4.465 465 2HB CYS 65 2HB CYS 65 5.154 -21.485 -3.312 466 HA PRO 66 HA PRO 66 1.583 -17.834 -5.657 467 1HB PRO 66 1HB PRO 66 2.073 -16.754 -8.119 468 2HB PRO 66 2HB PRO 66 2.233 -15.849 -6.627 469 1HG PRO 66 1HG PRO 66 4.356 -16.956 -8.362 470 2HG PRO 66 2HG PRO 66 4.479 -15.714 -7.131 471 1HD PRO 66 1HD PRO 66 5.310 -18.450 -6.898 472 2HD PRO 66 2HD PRO 66 5.326 -17.238 -5.633 473 H ALA 67 H ALA 67 0.313 -17.895 -8.046 474 HA ALA 67 HA ALA 67 -0.220 -20.632 -8.267 475 1HB ALA 67 1HB ALA 67 -1.019 -18.092 -9.589 476 2HB ALA 67 2HB ALA 67 -1.218 -19.564 -10.571 477 3HB ALA 67 3HB ALA 67 -2.021 -19.435 -8.986 478 H ASP 68 H ASP 68 1.147 -18.454 -10.839 479 HA ASP 68 HA ASP 68 3.163 -20.422 -11.355 480 1HB ASP 68 1HB ASP 68 0.796 -19.945 -13.131 481 2HB ASP 68 2HB ASP 68 2.347 -20.036 -13.941 482 HD2 ASP 68 HD ASP 68 2.594 -23.087 -14.175 483 H LEU 69 H LEU 69 4.666 -18.696 -10.875 484 HA LEU 69 HA LEU 69 5.706 -16.736 -11.091 485 1HB LEU 69 1HB LEU 69 5.370 -17.308 -14.036 486 2HB LEU 69 2HB LEU 69 6.634 -16.361 -13.277 487 HG LEU 69 HG LEU 69 6.316 -19.234 -12.482 488 1HD1 LEU 69 1HD1 LEU 69 7.755 -19.956 -14.328 489 2HD1 LEU 69 2HD1 LEU 69 6.209 -19.302 -14.920 490 3HD1 LEU 69 3HD1 LEU 69 7.688 -18.319 -15.026 491 1HD2 LEU 69 1HD2 LEU 69 8.954 -17.963 -12.967 492 2HD2 LEU 69 2HD2 LEU 69 7.993 -17.325 -11.613 493 3HD2 LEU 69 3HD2 LEU 69 8.418 -19.052 -11.666 494 H ALA 70 H ALA 70 3.472 -15.889 -10.205 495 HA ALA 70 HA ALA 70 1.767 -14.446 -10.317 496 1HB ALA 70 1HB ALA 70 3.381 -12.546 -11.943 497 2HB ALA 70 2HB ALA 70 2.626 -12.332 -10.345 498 3HB ALA 70 3HB ALA 70 4.177 -13.193 -10.488 499 H ALA 71 H ALA 71 0.448 -15.846 -11.720 500 HA ALA 71 HA ALA 71 0.457 -15.987 -14.406 501 1HB ALA 71 1HB ALA 71 -1.131 -17.276 -13.244 502 2HB ALA 71 2HB ALA 71 -1.778 -15.867 -12.371 503 3HB ALA 71 3HB ALA 71 -2.131 -16.079 -14.102 504 H ALA 72 H ALA 72 -1.376 -13.475 -12.512 505 HA ALA 72 HA ALA 72 -2.017 -11.425 -13.039 506 1HB ALA 72 1HB ALA 72 0.378 -10.991 -13.249 507 2HB ALA 72 2HB ALA 72 0.364 -11.577 -14.930 508 3HB ALA 72 3HB ALA 72 -0.503 -10.083 -14.502 509 H ALA 73 H ALA 73 -3.351 -10.233 -14.543 510 HA ALA 73 HA ALA 73 -3.820 -11.555 -17.101 511 1HB ALA 73 1HB ALA 73 -5.625 -11.543 -14.757 512 2HB ALA 73 2HB ALA 73 -6.383 -10.992 -16.269 513 3HB ALA 73 3HB ALA 73 -5.619 -12.597 -16.191 Start of MODEL 13 1 1H TYR 1 H TYR 1 -15.199 21.760 4.308 2 HA TYR 1 HA TYR 1 -16.926 20.603 2.358 3 1HB TYR 1 1HB TYR 1 -18.032 22.004 4.614 4 2HB TYR 1 2HB TYR 1 -18.065 23.171 3.306 5 HD1 TYR 1 1HD TYR 1 -19.196 22.449 1.091 6 HD2 TYR 1 2HD TYR 1 -19.703 20.357 4.789 7 HE1 TYR 1 1HE TYR 1 -21.327 21.382 0.203 8 HE2 TYR 1 2HE TYR 1 -21.832 19.297 3.888 9 HH TYR 1 HH TYR 1 -23.101 20.217 0.716 10 H VAL 2 H VAL 2 -16.907 21.789 0.386 11 HA VAL 2 HA VAL 2 -15.971 23.085 -1.141 12 HB VAL 2 HB VAL 2 -16.159 25.060 1.136 13 1HG1 VAL 2 1HG1 VAL 2 -16.164 26.255 -1.511 14 2HG1 VAL 2 2HG1 VAL 2 -15.179 26.656 -0.084 15 3HG1 VAL 2 3HG1 VAL 2 -14.646 25.379 -1.204 16 1HG2 VAL 2 1HG2 VAL 2 -18.181 25.819 0.034 17 2HG2 VAL 2 2HG2 VAL 2 -17.915 24.684 -1.312 18 3HG2 VAL 2 3HG2 VAL 2 -18.285 24.064 0.315 19 H GLU 3 H GLU 3 -14.032 22.033 -1.560 20 HA GLU 3 HA GLU 3 -11.725 23.436 -0.766 21 1HB GLU 3 1HB GLU 3 -12.279 21.887 1.247 22 2HB GLU 3 2HB GLU 3 -11.811 20.557 0.206 23 1HG GLU 3 1HG GLU 3 -9.664 20.948 0.833 24 2HG GLU 3 2HG GLU 3 -9.724 22.408 -0.136 25 HE2 GLU 3 HE GLU 3 -8.555 21.959 2.807 26 H PHE 4 H PHE 4 -11.216 23.602 -2.959 27 HA PHE 4 HA PHE 4 -10.557 21.054 -4.242 28 1HB PHE 4 1HB PHE 4 -12.410 23.286 -5.014 29 2HB PHE 4 2HB PHE 4 -11.309 22.818 -6.295 30 HD1 PHE 4 1HD PHE 4 -13.730 21.336 -3.879 31 HD2 PHE 4 2HD PHE 4 -11.859 21.036 -7.675 32 HE1 PHE 4 1HE PHE 4 -15.229 19.411 -4.465 33 HE2 PHE 4 2HE PHE 4 -13.360 19.111 -8.262 34 HZ PHE 4 HZ PHE 4 -15.026 18.321 -6.649 35 H GLN 5 H GLN 5 -8.616 21.038 -5.373 36 HA GLN 5 HA GLN 5 -7.421 23.292 -6.412 37 1HB GLN 5 1HB GLN 5 -5.581 23.707 -4.834 38 2HB GLN 5 2HB GLN 5 -7.123 23.988 -4.051 39 1HG GLN 5 1HG GLN 5 -7.029 21.859 -2.889 40 2HG GLN 5 2HG GLN 5 -5.677 21.311 -3.861 41 1HE2 GLN 5 1HE2 GLN 5 -5.048 20.976 -1.486 42 2HE2 GLN 5 2HE2 GLN 5 -4.088 22.220 -0.754 43 H GLU 6 H GLU 6 -5.309 22.782 -7.403 44 HA GLU 6 HA GLU 6 -4.845 19.900 -7.392 45 1HB GLU 6 1HB GLU 6 -5.441 21.696 -9.574 46 2HB GLU 6 2HB GLU 6 -3.813 21.087 -9.797 47 1HG GLU 6 1HG GLU 6 -4.838 18.732 -9.262 48 2HG GLU 6 2HG GLU 6 -6.390 19.495 -9.548 49 HE2 GLU 6 HE GLU 6 -6.028 17.866 -11.943 50 H ALA 7 H ALA 7 -3.392 20.500 -5.501 51 HA ALA 7 HA ALA 7 -0.729 20.572 -6.351 52 1HB ALA 7 1HB ALA 7 -1.612 23.133 -4.976 53 2HB ALA 7 2HB ALA 7 -0.013 22.752 -5.661 54 3HB ALA 7 3HB ALA 7 -1.408 22.997 -6.739 55 H GLY 8 H GLY 8 -0.251 18.915 -4.960 56 1HA GLY 8 1HA GLY 8 -1.155 19.156 -2.171 57 2HA GLY 8 2HA GLY 8 -0.617 17.697 -2.981 58 H SER 9 H SER 9 1.758 17.694 -3.760 59 HA SER 9 HA SER 9 3.878 17.813 -3.312 60 1HB SER 9 1HB SER 9 3.352 20.509 -1.989 61 2HB SER 9 2HB SER 9 4.888 19.935 -2.606 62 HG SER 9 HG SER 9 3.370 19.697 -4.706 63 H CYS 10 H CYS 10 4.334 16.195 -1.834 64 HA CYS 10 HA CYS 10 3.805 16.821 0.976 65 1HB CYS 10 1HB CYS 10 4.194 14.245 1.165 66 2HB CYS 10 2HB CYS 10 2.643 14.892 0.671 67 H VAL 11 H VAL 11 5.529 16.008 2.526 68 HA VAL 11 HA VAL 11 8.160 16.351 1.282 69 HB VAL 11 HB VAL 11 7.184 16.741 4.117 70 1HG1 VAL 11 1HG1 VAL 11 9.814 17.836 3.495 71 2HG1 VAL 11 2HG1 VAL 11 9.296 16.812 4.855 72 3HG1 VAL 11 3HG1 VAL 11 9.769 16.066 3.309 73 1HG2 VAL 11 1HG2 VAL 11 6.525 18.443 2.345 74 2HG2 VAL 11 2HG2 VAL 11 7.416 19.076 3.750 75 3HG2 VAL 11 3HG2 VAL 11 8.257 18.826 2.201 76 H GLN 12 H GLN 12 9.178 14.469 0.832 77 HA GLN 12 HA GLN 12 8.876 12.361 2.825 78 1HB GLN 12 1HB GLN 12 7.946 12.233 0.209 79 2HB GLN 12 2HB GLN 12 9.512 11.460 0.077 80 1HG GLN 12 1HG GLN 12 7.279 10.699 2.016 81 2HG GLN 12 2HG GLN 12 7.795 9.778 0.616 82 1HE2 GLN 12 1HE2 GLN 12 8.387 7.967 1.690 83 2HE2 GLN 12 2HE2 GLN 12 9.741 7.852 2.764 84 H ASP 13 H ASP 13 10.805 12.589 3.944 85 HA ASP 13 HA ASP 13 12.928 12.268 4.324 86 1HB ASP 13 1HB ASP 13 12.630 10.994 1.803 87 2HB ASP 13 2HB ASP 13 14.034 12.026 1.619 88 HD2 ASP 13 HD ASP 13 15.725 10.916 1.936 89 H GLY 14 H GLY 14 11.495 14.711 2.684 90 1HA GLY 14 1HA GLY 14 12.297 16.925 2.880 91 2HA GLY 14 2HA GLY 14 13.937 16.355 2.646 92 H GLN 15 H GLN 15 11.443 14.902 0.635 93 HA GLN 15 HA GLN 15 12.327 16.624 -1.548 94 1HB GLN 15 1HB GLN 15 12.477 13.735 -1.261 95 2HB GLN 15 2HB GLN 15 11.453 14.133 -2.626 96 1HG GLN 15 1HG GLN 15 14.069 15.614 -2.316 97 2HG GLN 15 2HG GLN 15 14.113 13.960 -2.892 98 1HE2 GLN 15 1HE2 GLN 15 13.028 13.386 -4.807 99 2HE2 GLN 15 2HE2 GLN 15 12.649 14.548 -6.034 100 H ARG 16 H ARG 16 10.718 17.628 -2.718 101 HA ARG 16 HA ARG 16 8.060 17.201 -1.793 102 1HB ARG 16 1HB ARG 16 8.983 19.490 -2.287 103 2HB ARG 16 2HB ARG 16 9.130 19.059 -3.979 104 1HG ARG 16 1HG ARG 16 6.431 18.616 -2.754 105 2HG ARG 16 2HG ARG 16 6.927 20.289 -2.917 106 1HD ARG 16 1HD ARG 16 7.186 18.363 -5.258 107 2HD ARG 16 2HD ARG 16 5.662 19.160 -4.920 108 HE ARG 16 HE ARG 16 7.580 21.210 -4.890 109 1HH1 ARG 16 2HH2 ARG 16 6.441 18.822 -7.247 110 2HH1 ARG 16 1HH2 ARG 16 6.802 19.819 -8.616 111 1HH2 ARG 16 1HH ARG 16 7.751 21.992 -8.270 112 H TYR 17 H TYR 17 6.781 15.600 -2.665 113 HA TYR 17 HA TYR 17 7.262 14.895 -5.480 114 1HB TYR 17 1HB TYR 17 6.239 13.476 -2.956 115 2HB TYR 17 2HB TYR 17 5.939 12.783 -4.538 116 HD1 TYR 17 1HD TYR 17 8.458 13.441 -1.965 117 HD2 TYR 17 2HD TYR 17 7.800 11.901 -5.902 118 HE1 TYR 17 1HE TYR 17 10.736 12.314 -1.913 119 HE2 TYR 17 2HE TYR 17 10.081 10.780 -5.836 120 HH TYR 17 HH TYR 17 11.883 10.531 -2.930 121 H ASN 18 H ASN 18 5.498 14.701 -6.912 122 HA ASN 18 HA ASN 18 3.427 16.457 -6.470 123 1HB ASN 18 1HB ASN 18 3.579 14.079 -8.398 124 2HB ASN 18 2HB ASN 18 2.405 15.376 -8.520 125 1HD2 ASN 18 1HD2 ASN 18 3.074 16.099 -10.485 126 2HD2 ASN 18 2HD2 ASN 18 4.577 16.913 -10.770 127 H ASP 19 H ASP 19 1.006 15.244 -7.176 128 HA ASP 19 HA ASP 19 0.345 13.939 -4.757 129 1HB ASP 19 1HB ASP 19 -1.175 14.671 -7.286 130 2HB ASP 19 2HB ASP 19 -1.941 13.715 -6.034 131 HD2 ASP 19 HD ASP 19 -3.353 15.522 -5.987 132 H LYS 20 H LYS 20 -0.279 13.055 -8.246 133 HA LYS 20 HA LYS 20 -0.714 10.349 -7.709 134 1HB LYS 20 1HB LYS 20 -0.802 12.108 -9.938 135 2HB LYS 20 2HB LYS 20 0.221 10.762 -10.397 136 1HG LYS 20 1HG LYS 20 -1.591 9.191 -9.508 137 2HG LYS 20 2HG LYS 20 -2.619 10.594 -9.291 138 1HD LYS 20 1HD LYS 20 -3.233 10.465 -11.467 139 2HD LYS 20 2HD LYS 20 -1.579 10.795 -11.943 140 1HE LYS 20 1HE LYS 20 -1.476 8.696 -12.803 141 2HE LYS 20 2HE LYS 20 -1.548 8.075 -11.166 142 1HZ LYS 20 1HZ LYS 20 -3.880 7.829 -11.319 143 2HZ LYS 20 2HZ LYS 20 -4.021 8.788 -12.628 144 H ASP 21 H ASP 21 2.169 12.228 -7.677 145 HA ASP 21 HA ASP 21 4.042 10.607 -8.727 146 1HB ASP 21 1HB ASP 21 3.915 12.667 -6.625 147 2HB ASP 21 2HB ASP 21 5.184 11.502 -6.305 148 HD2 ASP 21 HD ASP 21 7.344 12.980 -7.967 149 H VAL 22 H VAL 22 4.034 8.353 -8.403 150 HA VAL 22 HA VAL 22 3.604 7.388 -5.678 151 HB VAL 22 HB VAL 22 2.206 6.527 -7.525 152 1HG1 VAL 22 1HG1 VAL 22 3.200 4.980 -9.177 153 2HG1 VAL 22 2HG1 VAL 22 3.819 6.639 -9.353 154 3HG1 VAL 22 3HG1 VAL 22 4.822 5.392 -8.573 155 1HG2 VAL 22 1HG2 VAL 22 2.844 4.019 -7.080 156 2HG2 VAL 22 2HG2 VAL 22 3.999 4.723 -5.923 157 3HG2 VAL 22 3HG2 VAL 22 2.257 5.044 -5.748 158 H TRP 23 H TRP 23 5.125 6.020 -4.633 159 HA TRP 23 HA TRP 23 7.660 5.606 -5.999 160 1HB TRP 23 1HB TRP 23 8.978 6.599 -4.262 161 2HB TRP 23 2HB TRP 23 7.898 7.799 -4.942 162 HD1 TRP 23 HD TRP 23 8.354 5.731 -1.700 163 HE1 TRP 23 1HE TRP 23 7.080 6.848 0.322 164 HE3 TRP 23 3HE TRP 23 6.031 9.314 -4.462 165 HZ2 TRP 23 2HZ TRP 23 5.285 9.057 0.536 166 HZ3 TRP 23 3HZ TRP 23 4.535 10.911 -3.268 167 HH2 TRP 23 HH TRP 23 4.146 10.823 -0.857 168 H LYS 24 H LYS 24 8.918 3.895 -4.933 169 HA LYS 24 HA LYS 24 7.204 2.256 -3.203 170 1HB LYS 24 1HB LYS 24 8.177 1.583 -5.636 171 2HB LYS 24 2HB LYS 24 9.507 1.036 -4.635 172 1HG LYS 24 1HG LYS 24 8.284 -0.842 -4.250 173 2HG LYS 24 2HG LYS 24 7.270 0.142 -3.214 174 1HD LYS 24 1HD LYS 24 5.541 -0.297 -4.613 175 2HD LYS 24 2HD LYS 24 6.331 0.707 -5.813 176 1HE LYS 24 1HE LYS 24 7.750 -1.607 -6.161 177 2HE LYS 24 2HE LYS 24 6.231 -2.282 -5.604 178 1HZ LYS 24 1HZ LYS 24 5.558 -0.335 -7.460 179 2HZ LYS 24 2HZ LYS 24 6.807 -1.133 -8.133 180 HA PRO 25 HA PRO 25 10.361 3.400 -0.337 181 1HB PRO 25 1HB PRO 25 8.881 2.991 1.923 182 2HB PRO 25 2HB PRO 25 8.919 4.519 1.066 183 1HG PRO 25 1HG PRO 25 6.783 2.477 1.118 184 2HG PRO 25 2HG PRO 25 6.683 4.158 0.636 185 1HD PRO 25 1HD PRO 25 6.768 1.877 -1.101 186 2HD PRO 25 2HD PRO 25 6.785 3.562 -1.582 187 H GLU 26 H GLU 26 8.309 0.566 -0.069 188 HA GLU 26 HA GLU 26 10.746 -0.883 0.569 189 1HB GLU 26 1HB GLU 26 8.071 -1.168 2.005 190 2HB GLU 26 2HB GLU 26 9.398 -2.300 2.181 191 1HG GLU 26 1HG GLU 26 10.653 -0.851 3.467 192 2HG GLU 26 2HG GLU 26 10.146 0.564 2.566 193 HE2 GLU 26 HE GLU 26 7.956 1.222 2.973 194 HA PRO 27 HA PRO 27 9.214 -3.552 -2.494 195 1HB PRO 27 1HB PRO 27 10.715 -5.787 -2.031 196 2HB PRO 27 2HB PRO 27 11.314 -4.396 -2.911 197 1HG PRO 27 1HG PRO 27 11.935 -5.247 -0.150 198 2HG PRO 27 2HG PRO 27 12.817 -4.140 -1.182 199 1HD PRO 27 1HD PRO 27 11.097 -3.446 1.007 200 2HD PRO 27 2HD PRO 27 11.888 -2.338 -0.097 201 H CYS 28 H CYS 28 7.325 -3.256 -0.640 202 HA CYS 28 HA CYS 28 6.038 -5.750 -0.828 203 1HB CYS 28 1HB CYS 28 7.772 -5.695 1.302 204 2HB CYS 28 2HB CYS 28 6.277 -5.161 2.042 205 H ARG 29 H ARG 29 6.451 -2.519 0.678 206 HA ARG 29 HA ARG 29 3.562 -2.221 0.468 207 1HB ARG 29 1HB ARG 29 4.667 -2.258 2.859 208 2HB ARG 29 2HB ARG 29 5.261 -0.659 2.455 209 1HG ARG 29 1HG ARG 29 3.180 0.309 2.615 210 2HG ARG 29 2HG ARG 29 2.371 -1.055 1.868 211 1HD ARG 29 1HD ARG 29 1.735 -1.835 3.903 212 2HD ARG 29 2HD ARG 29 3.407 -1.939 4.416 213 HE ARG 29 HE ARG 29 3.152 0.072 5.591 214 1HH1 ARG 29 2HH2 ARG 29 0.483 -0.249 3.281 215 2HH1 ARG 29 1HH2 ARG 29 -0.375 1.127 3.892 216 1HH2 ARG 29 1HH ARG 29 0.547 2.367 5.724 217 H ILE 30 H ILE 30 2.868 -0.441 -0.738 218 HA ILE 30 HA ILE 30 4.997 1.301 -1.741 219 HB ILE 30 HB ILE 30 3.661 -0.088 -3.330 220 1HG1 ILE 30 1HG1 ILE 30 3.521 2.925 -3.643 221 2HG1 ILE 30 2HG1 ILE 30 4.888 1.905 -4.047 222 1HG2 ILE 30 1HG2 ILE 30 1.394 0.439 -3.835 223 2HG2 ILE 30 2HG2 ILE 30 1.496 0.165 -2.080 224 3HG2 ILE 30 3HG2 ILE 30 1.398 1.824 -2.717 225 1HD1 ILE 30 1HD1 ILE 30 2.111 1.689 -5.301 226 2HD1 ILE 30 2HD1 ILE 30 3.532 2.446 -6.059 227 3HD1 ILE 30 3HD1 ILE 30 3.525 0.697 -5.731 228 H CYS 31 H CYS 31 4.414 3.635 -2.068 229 HA CYS 31 HA CYS 31 2.296 4.554 -0.321 230 1HB CYS 31 1HB CYS 31 5.176 5.393 0.068 231 2HB CYS 31 2HB CYS 31 3.791 6.150 0.830 232 H VAL 32 H VAL 32 1.306 6.345 -1.257 233 HA VAL 32 HA VAL 32 2.837 7.764 -3.315 234 HB VAL 32 HB VAL 32 1.318 6.057 -4.303 235 1HG1 VAL 32 1HG1 VAL 32 -0.840 5.842 -3.743 236 2HG1 VAL 32 2HG1 VAL 32 -0.483 6.912 -2.365 237 3HG1 VAL 32 3HG1 VAL 32 -1.132 7.594 -3.876 238 1HG2 VAL 32 1HG2 VAL 32 0.210 8.747 -5.044 239 2HG2 VAL 32 2HG2 VAL 32 1.945 8.426 -5.271 240 3HG2 VAL 32 3HG2 VAL 32 0.737 7.403 -6.086 241 H CYS 33 H CYS 33 1.501 9.875 -3.925 242 HA CYS 33 HA CYS 33 0.716 11.027 -1.353 243 1HB CYS 33 1HB CYS 33 2.738 11.882 -2.790 244 2HB CYS 33 2HB CYS 33 1.492 12.671 -3.738 245 H ASP 34 H ASP 34 -1.407 9.787 -1.968 246 HA ASP 34 HA ASP 34 -2.873 10.656 -4.163 247 1HB ASP 34 1HB ASP 34 -3.213 8.910 -1.866 248 2HB ASP 34 2HB ASP 34 -4.655 9.889 -2.044 249 HD2 ASP 34 HD ASP 34 -4.091 7.102 -2.493 250 H THR 35 H THR 35 -4.157 12.514 -4.415 251 HA THR 35 HA THR 35 -4.945 14.555 -3.974 252 HB THR 35 HB THR 35 -5.866 13.130 -1.421 253 HG1 THR 35 1HG THR 35 -7.263 12.174 -2.869 254 1HG2 THR 35 1HG2 THR 35 -7.770 14.918 -2.721 255 2HG2 THR 35 2HG2 THR 35 -7.196 14.948 -1.037 256 3HG2 THR 35 3HG2 THR 35 -6.292 15.817 -2.302 257 H GLY 36 H GLY 36 -2.147 13.982 -3.165 258 1HA GLY 36 1HA GLY 36 -0.563 15.440 -2.382 259 2HA GLY 36 2HA GLY 36 -1.798 16.374 -1.561 260 H THR 37 H THR 37 -2.791 13.480 -0.576 261 HA THR 37 HA THR 37 -1.234 13.623 1.873 262 HB THR 37 HB THR 37 -3.630 11.870 1.127 263 HG1 THR 37 1HG THR 37 -3.423 14.467 2.474 264 1HG2 THR 37 1HG2 THR 37 -3.434 12.994 3.840 265 2HG2 THR 37 2HG2 THR 37 -3.692 11.304 3.345 266 3HG2 THR 37 3HG2 THR 37 -2.040 11.955 3.464 267 H VAL 38 H VAL 38 0.288 12.213 2.549 268 HA VAL 38 HA VAL 38 1.184 10.293 0.597 269 HB VAL 38 HB VAL 38 2.227 11.078 3.325 270 1HG1 VAL 38 1HG1 VAL 38 3.399 9.314 1.154 271 2HG1 VAL 38 2HG1 VAL 38 4.362 10.020 2.475 272 3HG1 VAL 38 3HG1 VAL 38 3.041 8.885 2.844 273 1HG2 VAL 38 1HG2 VAL 38 2.772 12.069 0.534 274 2HG2 VAL 38 2HG2 VAL 38 2.489 12.992 2.028 275 3HG2 VAL 38 3HG2 VAL 38 4.038 12.149 1.782 276 H LEU 39 H LEU 39 -0.401 8.665 0.496 277 HA LEU 39 HA LEU 39 -0.960 7.306 3.028 278 1HB LEU 39 1HB LEU 39 -2.492 7.916 0.633 279 2HB LEU 39 2HB LEU 39 -2.556 6.210 1.028 280 HG LEU 39 HG LEU 39 -4.427 7.285 2.048 281 1HD1 LEU 39 1HD1 LEU 39 -2.356 6.021 3.636 282 2HD1 LEU 39 2HD1 LEU 39 -3.349 7.126 4.618 283 3HD1 LEU 39 3HD1 LEU 39 -4.124 5.819 3.689 284 1HD2 LEU 39 1HD2 LEU 39 -2.519 9.168 3.458 285 2HD2 LEU 39 2HD2 LEU 39 -3.490 9.585 2.026 286 3HD2 LEU 39 3HD2 LEU 39 -4.296 9.158 3.555 287 H CYS 40 H CYS 40 -0.782 4.967 3.140 288 HA CYS 40 HA CYS 40 1.127 3.953 1.160 289 1HB CYS 40 1HB CYS 40 0.993 3.523 4.140 290 2HB CYS 40 2HB CYS 40 1.839 2.409 3.084 291 H ASP 41 H ASP 41 0.432 2.137 0.052 292 HA ASP 41 HA ASP 41 -2.004 0.915 1.074 293 1HB ASP 41 1HB ASP 41 -0.829 1.197 -1.717 294 2HB ASP 41 2HB ASP 41 -2.077 0.013 -1.385 295 HD2 ASP 41 HD ASP 41 -2.290 3.621 -2.214 296 H ASP 42 H ASP 42 -2.087 -1.436 1.179 297 HA ASP 42 HA ASP 42 0.512 -2.615 1.390 298 1HB ASP 42 1HB ASP 42 -1.688 -2.923 2.889 299 2HB ASP 42 2HB ASP 42 -2.072 -4.154 1.702 300 HD2 ASP 42 HD ASP 42 -1.251 -6.262 2.654 301 H ILE 43 H ILE 43 1.407 -3.937 -0.219 302 HA ILE 43 HA ILE 43 -0.040 -4.282 -2.649 303 HB ILE 43 HB ILE 43 2.644 -4.247 -1.802 304 1HG1 ILE 43 1HG1 ILE 43 1.487 -4.700 -4.568 305 2HG1 ILE 43 2HG1 ILE 43 1.622 -3.140 -3.778 306 1HG2 ILE 43 1HG2 ILE 43 2.689 -6.619 -1.512 307 2HG2 ILE 43 2HG2 ILE 43 1.873 -6.885 -3.072 308 3HG2 ILE 43 3HG2 ILE 43 3.531 -6.238 -3.033 309 1HD1 ILE 43 1HD1 ILE 43 4.197 -4.231 -3.509 310 2HD1 ILE 43 2HD1 ILE 43 3.687 -4.717 -5.144 311 3HD1 ILE 43 3HD1 ILE 43 3.696 -2.996 -4.689 312 H ILE 44 H ILE 44 -1.580 -5.792 -2.953 313 HA ILE 44 HA ILE 44 -1.218 -8.337 -1.529 314 HB ILE 44 HB ILE 44 -3.769 -8.458 -1.846 315 1HG1 ILE 44 1HG1 ILE 44 -3.523 -5.445 -1.918 316 2HG1 ILE 44 2HG1 ILE 44 -3.750 -6.402 -3.368 317 1HG2 ILE 44 1HG2 ILE 44 -3.182 -8.396 0.349 318 2HG2 ILE 44 2HG2 ILE 44 -2.185 -6.934 0.165 319 3HG2 ILE 44 3HG2 ILE 44 -3.959 -6.799 0.230 320 1HD1 ILE 44 1HD1 ILE 44 -5.848 -7.338 -2.490 321 2HD1 ILE 44 2HD1 ILE 44 -5.594 -6.509 -0.936 322 3HD1 ILE 44 3HD1 ILE 44 -5.911 -5.561 -2.408 323 H CYS 45 H CYS 45 -0.361 -9.772 -2.947 324 HA CYS 45 HA CYS 45 -1.169 -9.560 -5.727 325 1HB CYS 45 1HB CYS 45 0.683 -10.905 -6.263 326 2HB CYS 45 2HB CYS 45 1.241 -9.742 -5.076 327 H GLU 46 H GLU 46 -1.532 -11.840 -6.824 328 HA GLU 46 HA GLU 46 -3.777 -12.944 -5.676 329 1HB GLU 46 1HB GLU 46 -1.898 -14.054 -7.804 330 2HB GLU 46 2HB GLU 46 -3.460 -14.755 -7.428 331 1HG GLU 46 1HG GLU 46 -3.410 -11.800 -7.974 332 2HG GLU 46 2HG GLU 46 -3.116 -12.854 -9.343 333 HE2 GLU 46 HE GLU 46 -5.266 -13.676 -10.241 334 H ASP 47 H ASP 47 -4.029 -15.406 -5.185 335 HA ASP 47 HA ASP 47 -1.719 -16.680 -4.162 336 1HB ASP 47 1HB ASP 47 -2.584 -16.843 -1.803 337 2HB ASP 47 2HB ASP 47 -2.092 -15.223 -2.252 338 HD2 ASP 47 HD ASP 47 -3.505 -14.138 -0.862 339 H VAL 48 H VAL 48 -2.251 -18.950 -3.581 340 HA VAL 48 HA VAL 48 -4.992 -19.782 -3.650 341 HB VAL 48 HB VAL 48 -3.124 -20.304 -5.955 342 1HG1 VAL 48 1HG1 VAL 48 -5.055 -22.137 -4.750 343 2HG1 VAL 48 2HG1 VAL 48 -5.420 -21.787 -6.457 344 3HG1 VAL 48 3HG1 VAL 48 -3.824 -22.430 -6.001 345 1HG2 VAL 48 1HG2 VAL 48 -5.858 -19.086 -5.614 346 2HG2 VAL 48 2HG2 VAL 48 -4.433 -18.448 -6.468 347 3HG2 VAL 48 3HG2 VAL 48 -5.368 -19.787 -7.174 348 H LYS 49 H LYS 49 -5.250 -21.808 -2.667 349 HA LYS 49 HA LYS 49 -2.790 -22.831 -1.474 350 1HB LYS 49 1HB LYS 49 -5.711 -23.176 -0.741 351 2HB LYS 49 2HB LYS 49 -4.397 -24.012 0.062 352 1HG LYS 49 1HG LYS 49 -4.212 -22.199 1.418 353 2HG LYS 49 2HG LYS 49 -3.532 -21.344 0.048 354 1HD LYS 49 1HD LYS 49 -5.659 -20.407 -0.570 355 2HD LYS 49 2HD LYS 49 -6.542 -21.533 0.443 356 1HE LYS 49 1HE LYS 49 -6.150 -20.326 2.377 357 2HE LYS 49 2HE LYS 49 -4.538 -19.846 1.883 358 1HZ LYS 49 1HZ LYS 49 -6.441 -18.093 1.896 359 2HZ LYS 49 2HZ LYS 49 -5.375 -18.066 0.666 360 H ASP 50 H ASP 50 -3.083 -23.329 -4.236 361 HA ASP 50 HA ASP 50 -3.341 -26.205 -4.097 362 1HB ASP 50 1HB ASP 50 -4.853 -24.345 -5.951 363 2HB ASP 50 2HB ASP 50 -4.395 -25.934 -6.532 364 HD2 ASP 50 HD ASP 50 -6.449 -24.262 -4.408 365 H CYS 51 H CYS 51 -0.998 -24.540 -4.091 366 HA CYS 51 HA CYS 51 -0.035 -24.871 -6.839 367 1HB CYS 51 1HB CYS 51 0.150 -22.647 -4.992 368 2HB CYS 51 2HB CYS 51 1.746 -23.196 -5.466 369 H LEU 52 H LEU 52 2.448 -25.343 -6.853 370 HA LEU 52 HA LEU 52 2.875 -27.567 -5.095 371 1HB LEU 52 1HB LEU 52 4.460 -26.346 -7.350 372 2HB LEU 52 2HB LEU 52 5.033 -27.709 -6.410 373 HG LEU 52 HG LEU 52 2.611 -28.666 -7.121 374 1HD1 LEU 52 1HD1 LEU 52 2.239 -28.107 -9.521 375 2HD1 LEU 52 2HD1 LEU 52 1.910 -26.763 -8.404 376 3HD1 LEU 52 3HD1 LEU 52 3.416 -26.783 -9.351 377 1HD2 LEU 52 1HD2 LEU 52 5.342 -28.868 -8.263 378 2HD2 LEU 52 2HD2 LEU 52 4.276 -30.123 -7.588 379 3HD2 LEU 52 3HD2 LEU 52 4.013 -29.528 -9.244 380 H SER 53 H SER 53 5.384 -25.152 -5.971 381 HA SER 53 HA SER 53 5.826 -24.850 -3.103 382 1HB SER 53 1HB SER 53 8.228 -24.230 -3.896 383 2HB SER 53 2HB SER 53 7.760 -25.920 -3.916 384 HG SER 53 HG SER 53 8.823 -25.233 -5.903 385 HA PRO 54 HA PRO 54 5.112 -20.605 -3.788 386 1HB PRO 54 1HB PRO 54 6.079 -19.572 -1.450 387 2HB PRO 54 2HB PRO 54 4.484 -20.284 -1.596 388 1HG PRO 54 1HG PRO 54 6.911 -21.414 -0.341 389 2HG PRO 54 2HG PRO 54 5.240 -21.900 -0.133 390 1HD PRO 54 1HD PRO 54 7.234 -23.240 -1.700 391 2HD PRO 54 2HD PRO 54 5.536 -23.658 -1.582 392 H GLU 55 H GLU 55 5.983 -18.895 -4.845 393 HA GLU 55 HA GLU 55 8.751 -18.393 -4.380 394 1HB GLU 55 1HB GLU 55 8.205 -20.260 -6.350 395 2HB GLU 55 2HB GLU 55 8.256 -18.777 -7.282 396 1HG GLU 55 1HG GLU 55 10.446 -18.872 -5.327 397 2HG GLU 55 2HG GLU 55 10.472 -20.277 -6.374 398 HE2 GLU 55 HE GLU 55 10.664 -19.885 -8.579 399 H ILE 56 H ILE 56 9.029 -16.199 -4.460 400 HA ILE 56 HA ILE 56 6.846 -14.592 -5.354 401 HB ILE 56 HB ILE 56 8.689 -14.334 -3.421 402 1HG1 ILE 56 1HG1 ILE 56 7.446 -11.932 -4.780 403 2HG1 ILE 56 2HG1 ILE 56 6.513 -13.086 -3.847 404 1HG2 ILE 56 1HG2 ILE 56 9.722 -12.630 -5.705 405 2HG2 ILE 56 2HG2 ILE 56 10.236 -12.511 -4.005 406 3HG2 ILE 56 3HG2 ILE 56 10.561 -13.995 -4.931 407 1HD1 ILE 56 1HD1 ILE 56 7.763 -10.869 -2.787 408 2HD1 ILE 56 2HD1 ILE 56 7.312 -12.312 -1.848 409 3HD1 ILE 56 3HD1 ILE 56 8.971 -12.139 -2.471 410 HA PRO 57 HA PRO 57 8.335 -14.236 -9.426 411 1HB PRO 57 1HB PRO 57 6.352 -12.627 -10.400 412 2HB PRO 57 2HB PRO 57 6.208 -14.370 -10.298 413 1HG PRO 57 1HG PRO 57 4.967 -12.304 -8.586 414 2HG PRO 57 2HG PRO 57 4.517 -13.986 -8.776 415 1HD PRO 57 1HD PRO 57 5.946 -12.831 -6.574 416 2HD PRO 57 2HD PRO 57 5.597 -14.531 -6.820 417 H PHE 58 H PHE 58 10.106 -13.171 -10.013 418 HA PHE 58 HA PHE 58 11.603 -11.508 -9.846 419 1HB PHE 58 1HB PHE 58 10.100 -11.134 -11.892 420 2HB PHE 58 2HB PHE 58 9.110 -10.059 -10.925 421 HD1 PHE 58 1HD PHE 58 12.809 -10.401 -11.360 422 HD2 PHE 58 2HD PHE 58 9.400 -7.885 -11.618 423 HE1 PHE 58 1HE PHE 58 14.282 -8.471 -11.999 424 HE2 PHE 58 2HE PHE 58 10.874 -5.956 -12.256 425 HZ PHE 58 HZ PHE 58 13.296 -6.271 -12.439 426 H GLY 59 H GLY 59 10.398 -11.804 -7.295 427 1HA GLY 59 1HA GLY 59 10.150 -10.720 -5.344 428 2HA GLY 59 2HA GLY 59 11.080 -9.413 -6.051 429 H GLU 60 H GLU 60 8.166 -10.129 -4.597 430 HA GLU 60 HA GLU 60 6.967 -7.792 -5.838 431 1HB GLU 60 1HB GLU 60 5.467 -10.366 -5.180 432 2HB GLU 60 2HB GLU 60 4.735 -8.889 -5.776 433 1HG GLU 60 1HG GLU 60 6.976 -9.698 -7.485 434 2HG GLU 60 2HG GLU 60 5.814 -11.001 -7.327 435 HE2 GLU 60 HE GLU 60 4.963 -7.664 -9.295 436 H CYS 61 H CYS 61 5.943 -10.179 -3.297 437 HA CYS 61 HA CYS 61 6.695 -8.625 -1.132 438 1HB CYS 61 1HB CYS 61 5.042 -7.015 -1.993 439 2HB CYS 61 2HB CYS 61 3.792 -8.238 -1.890 440 H CYS 62 H CYS 62 4.312 -10.839 -2.666 441 HA CYS 62 HA CYS 62 4.295 -12.399 -0.190 442 1HB CYS 62 1HB CYS 62 2.358 -13.441 -1.914 443 2HB CYS 62 2HB CYS 62 2.108 -12.504 -0.454 444 HA PRO 63 HA PRO 63 6.876 -14.918 -2.798 445 1HB PRO 63 1HB PRO 63 8.132 -16.273 -0.785 446 2HB PRO 63 2HB PRO 63 8.719 -14.752 -1.428 447 1HG PRO 63 1HG PRO 63 7.333 -15.271 1.132 448 2HG PRO 63 2HG PRO 63 8.288 -13.879 0.663 449 1HD PRO 63 1HD PRO 63 5.427 -14.030 0.797 450 2HD PRO 63 2HD PRO 63 6.379 -12.677 0.218 451 H ILE 64 H ILE 64 4.608 -15.673 -3.381 452 HA ILE 64 HA ILE 64 4.503 -18.457 -2.472 453 HB ILE 64 HB ILE 64 2.230 -18.407 -2.058 454 1HG1 ILE 64 1HG1 ILE 64 2.183 -15.861 -3.670 455 2HG1 ILE 64 2HG1 ILE 64 1.304 -17.353 -3.939 456 1HG2 ILE 64 1HG2 ILE 64 2.088 -17.086 -0.211 457 2HG2 ILE 64 2HG2 ILE 64 3.835 -16.941 -0.524 458 3HG2 ILE 64 3HG2 ILE 64 2.728 -15.649 -1.045 459 1HD1 ILE 64 1HD1 ILE 64 -0.298 -15.815 -3.036 460 2HD1 ILE 64 2HD1 ILE 64 0.112 -16.913 -1.696 461 3HD1 ILE 64 3HD1 ILE 64 0.825 -15.283 -1.761 462 H CYS 65 H CYS 65 2.766 -19.628 -4.045 463 HA CYS 65 HA CYS 65 3.765 -18.989 -6.702 464 1HB CYS 65 1HB CYS 65 4.217 -21.212 -6.261 465 2HB CYS 65 2HB CYS 65 2.716 -21.467 -5.392 466 HA PRO 66 HA PRO 66 -0.237 -17.402 -7.539 467 1HB PRO 66 1HB PRO 66 0.143 -16.757 -10.167 468 2HB PRO 66 2HB PRO 66 0.620 -15.710 -8.845 469 1HG PRO 66 1HG PRO 66 2.318 -17.397 -10.580 470 2HG PRO 66 2HG PRO 66 2.786 -16.049 -9.561 471 1HD PRO 66 1HD PRO 66 3.170 -18.836 -9.004 472 2HD PRO 66 2HD PRO 66 3.532 -17.494 -7.937 473 H ALA 67 H ALA 67 -2.035 -17.610 -9.301 474 HA ALA 67 HA ALA 67 -1.963 -20.377 -10.257 475 1HB ALA 67 1HB ALA 67 -3.266 -19.806 -7.975 476 2HB ALA 67 2HB ALA 67 -4.529 -19.322 -9.134 477 3HB ALA 67 3HB ALA 67 -3.888 -20.983 -9.156 478 H ASP 68 H ASP 68 -1.272 -18.636 -12.063 479 HA ASP 68 HA ASP 68 -3.762 -18.061 -13.459 480 1HB ASP 68 1HB ASP 68 -2.455 -16.098 -14.509 481 2HB ASP 68 2HB ASP 68 -2.987 -15.894 -12.851 482 HD2 ASP 68 HD ASP 68 0.050 -16.705 -14.612 483 H LEU 69 H LEU 69 -2.136 -20.462 -13.623 484 HA LEU 69 HA LEU 69 -0.983 -20.117 -16.302 485 1HB LEU 69 1HB LEU 69 0.659 -21.827 -15.750 486 2HB LEU 69 2HB LEU 69 0.815 -20.401 -14.743 487 HG LEU 69 HG LEU 69 -0.719 -21.869 -13.103 488 1HD1 LEU 69 1HD1 LEU 69 0.976 -24.100 -14.071 489 2HD1 LEU 69 2HD1 LEU 69 -0.645 -24.114 -13.336 490 3HD1 LEU 69 3HD1 LEU 69 -0.452 -23.701 -15.057 491 1HD2 LEU 69 1HD2 LEU 69 1.096 -21.350 -11.928 492 2HD2 LEU 69 2HD2 LEU 69 1.823 -22.858 -12.535 493 3HD2 LEU 69 3HD2 LEU 69 2.119 -21.321 -13.385 494 H ALA 70 H ALA 70 -2.508 -22.385 -13.925 495 HA ALA 70 HA ALA 70 -3.882 -24.095 -14.206 496 1HB ALA 70 1HB ALA 70 -4.559 -22.520 -16.718 497 2HB ALA 70 2HB ALA 70 -5.479 -23.943 -16.171 498 3HB ALA 70 3HB ALA 70 -5.404 -22.487 -15.151 499 H ALA 71 H ALA 71 -4.242 -26.156 -15.416 500 HA ALA 71 HA ALA 71 -2.830 -26.747 -17.753 501 1HB ALA 71 1HB ALA 71 -0.975 -28.068 -16.843 502 2HB ALA 71 2HB ALA 71 -0.850 -26.380 -16.293 503 3HB ALA 71 3HB ALA 71 -1.454 -27.635 -15.185 504 H ALA 72 H ALA 72 -5.244 -27.371 -17.665 505 HA ALA 72 HA ALA 72 -6.339 -29.262 -16.091 506 1HB ALA 72 1HB ALA 72 -7.593 -29.938 -18.233 507 2HB ALA 72 2HB ALA 72 -7.654 -28.219 -17.774 508 3HB ALA 72 3HB ALA 72 -6.562 -28.755 -19.073 509 H ALA 73 H ALA 73 -4.606 -30.013 -19.205 510 HA ALA 73 HA ALA 73 -4.511 -32.773 -18.647 511 1HB ALA 73 1HB ALA 73 -2.541 -32.366 -20.489 512 2HB ALA 73 2HB ALA 73 -4.273 -32.445 -20.890 513 3HB ALA 73 3HB ALA 73 -3.480 -30.866 -20.682 Start of MODEL 14 1 1H TYR 1 H TYR 1 -8.351 14.972 8.061 2 HA TYR 1 HA TYR 1 -10.991 15.255 8.731 3 1HB TYR 1 1HB TYR 1 -9.940 12.666 9.377 4 2HB TYR 1 2HB TYR 1 -9.907 13.536 10.897 5 HD1 TYR 1 1HD TYR 1 -12.160 12.505 8.113 6 HD2 TYR 1 2HD TYR 1 -11.883 13.850 12.165 7 HE1 TYR 1 1HE TYR 1 -14.634 12.026 8.448 8 HE2 TYR 1 2HE TYR 1 -14.357 13.367 12.487 9 HH TYR 1 HH TYR 1 -16.448 13.232 10.427 10 H VAL 2 H VAL 2 -7.802 14.579 10.337 11 HA VAL 2 HA VAL 2 -8.210 16.587 12.295 12 HB VAL 2 HB VAL 2 -6.811 14.588 12.593 13 1HG1 VAL 2 1HG1 VAL 2 -4.549 14.507 11.591 14 2HG1 VAL 2 2HG1 VAL 2 -5.838 14.411 10.367 15 3HG1 VAL 2 3HG1 VAL 2 -4.950 15.935 10.607 16 1HG2 VAL 2 1HG2 VAL 2 -6.369 17.120 13.557 17 2HG2 VAL 2 2HG2 VAL 2 -5.553 15.648 14.132 18 3HG2 VAL 2 3HG2 VAL 2 -4.766 16.685 12.918 19 H GLU 3 H GLU 3 -6.785 16.453 9.028 20 HA GLU 3 HA GLU 3 -7.114 19.071 8.505 21 1HB GLU 3 1HB GLU 3 -4.795 18.668 10.246 22 2HB GLU 3 2HB GLU 3 -4.312 19.389 8.723 23 1HG GLU 3 1HG GLU 3 -5.302 21.380 9.226 24 2HG GLU 3 2HG GLU 3 -6.785 20.607 9.752 25 HE2 GLU 3 HE GLU 3 -3.756 20.847 12.366 26 H PHE 4 H PHE 4 -6.477 19.550 6.340 27 HA PHE 4 HA PHE 4 -4.909 17.435 5.048 28 1HB PHE 4 1HB PHE 4 -6.575 18.004 3.077 29 2HB PHE 4 2HB PHE 4 -7.184 17.012 4.387 30 HD1 PHE 4 1HD PHE 4 -7.816 19.836 2.415 31 HD2 PHE 4 2HD PHE 4 -8.302 18.369 6.367 32 HE1 PHE 4 1HE PHE 4 -9.672 21.482 2.798 33 HE2 PHE 4 2HE PHE 4 -10.159 20.014 6.749 34 HZ PHE 4 HZ PHE 4 -10.822 21.551 4.961 35 H GLN 5 H GLN 5 -6.309 20.771 4.688 36 HA GLN 5 HA GLN 5 -5.535 22.581 3.775 37 1HB GLN 5 1HB GLN 5 -2.910 21.305 4.611 38 2HB GLN 5 2HB GLN 5 -2.934 22.868 3.818 39 1HG GLN 5 1HG GLN 5 -4.453 23.757 5.582 40 2HG GLN 5 2HG GLN 5 -4.482 22.189 6.364 41 1HE2 GLN 5 1HE2 GLN 5 -2.730 21.444 7.498 42 2HE2 GLN 5 2HE2 GLN 5 -1.382 22.433 7.953 43 H GLU 6 H GLU 6 -4.397 23.549 1.823 44 HA GLU 6 HA GLU 6 -4.265 21.491 -0.229 45 1HB GLU 6 1HB GLU 6 -5.202 24.336 -0.167 46 2HB GLU 6 2HB GLU 6 -4.433 23.805 -1.650 47 1HG GLU 6 1HG GLU 6 -6.057 21.673 -1.282 48 2HG GLU 6 2HG GLU 6 -6.998 22.855 -0.393 49 HE2 GLU 6 HE GLU 6 -8.332 23.899 -3.389 50 H ALA 7 H ALA 7 -2.561 21.586 -1.860 51 HA ALA 7 HA ALA 7 -0.499 23.485 -1.754 52 1HB ALA 7 1HB ALA 7 1.117 21.407 -0.962 53 2HB ALA 7 2HB ALA 7 0.566 22.725 0.100 54 3HB ALA 7 3HB ALA 7 -0.305 21.173 0.084 55 H GLY 8 H GLY 8 -0.898 19.892 -2.191 56 1HA GLY 8 1HA GLY 8 -1.277 19.066 -4.429 57 2HA GLY 8 2HA GLY 8 -0.186 20.296 -5.034 58 H SER 9 H SER 9 2.121 20.246 -3.874 59 HA SER 9 HA SER 9 3.177 17.733 -4.500 60 1HB SER 9 1HB SER 9 5.297 18.713 -4.077 61 2HB SER 9 2HB SER 9 4.309 20.044 -4.646 62 HG SER 9 HG SER 9 4.878 21.023 -2.834 63 H CYS 10 H CYS 10 4.285 16.204 -3.064 64 HA CYS 10 HA CYS 10 3.198 16.327 -0.348 65 1HB CYS 10 1HB CYS 10 3.735 14.047 -2.218 66 2HB CYS 10 2HB CYS 10 3.806 13.776 -0.489 67 H VAL 11 H VAL 11 4.684 15.453 1.376 68 HA VAL 11 HA VAL 11 7.477 15.996 0.648 69 HB VAL 11 HB VAL 11 7.814 16.815 2.819 70 1HG1 VAL 11 1HG1 VAL 11 6.022 18.555 3.094 71 2HG1 VAL 11 2HG1 VAL 11 6.697 18.444 1.451 72 3HG1 VAL 11 3HG1 VAL 11 5.104 17.735 1.809 73 1HG2 VAL 11 1HG2 VAL 11 6.805 15.271 4.262 74 2HG2 VAL 11 2HG2 VAL 11 5.861 16.759 4.516 75 3HG2 VAL 11 3HG2 VAL 11 5.207 15.452 3.498 76 H GLN 12 H GLN 12 8.611 14.150 0.350 77 HA GLN 12 HA GLN 12 7.888 11.919 2.086 78 1HB GLN 12 1HB GLN 12 7.775 11.873 -0.603 79 2HB GLN 12 2HB GLN 12 9.477 11.493 -0.433 80 1HG GLN 12 1HG GLN 12 7.181 9.978 0.898 81 2HG GLN 12 2HG GLN 12 8.088 9.429 -0.498 82 1HE2 GLN 12 1HE2 GLN 12 7.797 9.282 2.792 83 2HE2 GLN 12 2HE2 GLN 12 9.361 8.685 3.235 84 H ASP 13 H ASP 13 9.272 12.165 3.840 85 HA ASP 13 HA ASP 13 11.124 12.010 4.963 86 1HB ASP 13 1HB ASP 13 11.724 10.518 2.726 87 2HB ASP 13 2HB ASP 13 12.983 11.734 2.638 88 HD2 ASP 13 HD ASP 13 13.191 8.891 5.412 89 H GLY 14 H GLY 14 10.256 14.412 2.993 90 1HA GLY 14 1HA GLY 14 10.950 16.635 3.464 91 2HA GLY 14 2HA GLY 14 12.602 16.079 3.635 92 H GLN 15 H GLN 15 10.613 14.731 1.038 93 HA GLN 15 HA GLN 15 12.051 16.458 -0.823 94 1HB GLN 15 1HB GLN 15 11.960 13.527 -0.623 95 2HB GLN 15 2HB GLN 15 11.468 14.081 -2.212 96 1HG GLN 15 1HG GLN 15 14.003 15.067 -0.827 97 2HG GLN 15 2HG GLN 15 13.983 13.681 -1.900 98 1HE2 GLN 15 1HE2 GLN 15 14.685 16.828 -1.749 99 2HE2 GLN 15 2HE2 GLN 15 14.416 17.341 -3.382 100 H ARG 16 H ARG 16 10.866 17.300 -2.579 101 HA ARG 16 HA ARG 16 8.047 17.183 -2.197 102 1HB ARG 16 1HB ARG 16 7.965 18.951 -3.904 103 2HB ARG 16 2HB ARG 16 9.259 19.311 -2.777 104 1HG ARG 16 1HG ARG 16 10.845 18.100 -4.429 105 2HG ARG 16 2HG ARG 16 9.518 18.127 -5.574 106 1HD ARG 16 1HD ARG 16 9.395 20.683 -5.158 107 2HD ARG 16 2HD ARG 16 10.926 20.523 -4.319 108 HE ARG 16 HE ARG 16 11.293 19.219 -6.782 109 1HH1 ARG 16 2HH2 ARG 16 10.466 22.498 -5.725 110 2HH1 ARG 16 1HH2 ARG 16 11.172 23.257 -7.112 111 1HH2 ARG 16 1HH ARG 16 12.200 21.899 -8.797 112 H TYR 17 H TYR 17 6.665 15.805 -3.280 113 HA TYR 17 HA TYR 17 7.573 14.744 -5.861 114 1HB TYR 17 1HB TYR 17 6.547 13.410 -3.303 115 2HB TYR 17 2HB TYR 17 6.256 12.624 -4.843 116 HD1 TYR 17 1HD TYR 17 8.639 13.209 -2.207 117 HD2 TYR 17 2HD TYR 17 8.269 12.005 -6.296 118 HE1 TYR 17 1HE TYR 17 10.949 12.153 -2.113 119 HE2 TYR 17 2HE TYR 17 10.581 10.954 -6.188 120 HH TYR 17 HH TYR 17 12.749 11.617 -3.751 121 H ASN 18 H ASN 18 6.056 14.912 -7.446 122 HA ASN 18 HA ASN 18 3.782 16.331 -7.098 123 1HB ASN 18 1HB ASN 18 4.729 14.335 -9.161 124 2HB ASN 18 2HB ASN 18 3.057 14.854 -9.254 125 1HD2 ASN 18 1HD2 ASN 18 6.408 15.936 -9.183 126 2HD2 ASN 18 2HD2 ASN 18 6.190 17.440 -10.013 127 H ASP 19 H ASP 19 1.526 15.042 -8.059 128 HA ASP 19 HA ASP 19 0.889 13.340 -5.850 129 1HB ASP 19 1HB ASP 19 -1.409 13.357 -7.195 130 2HB ASP 19 2HB ASP 19 -0.906 14.757 -6.269 131 HD2 ASP 19 HD ASP 19 -1.642 16.372 -7.421 132 H LYS 20 H LYS 20 0.272 13.216 -9.449 133 HA LYS 20 HA LYS 20 -0.314 10.547 -9.615 134 1HB LYS 20 1HB LYS 20 0.518 12.688 -11.465 135 2HB LYS 20 2HB LYS 20 0.895 11.071 -12.024 136 1HG LYS 20 1HG LYS 20 -1.643 10.638 -11.117 137 2HG LYS 20 2HG LYS 20 -1.778 12.336 -11.527 138 1HD LYS 20 1HD LYS 20 -0.522 11.501 -13.775 139 2HD LYS 20 2HD LYS 20 -1.268 9.980 -13.329 140 1HE LYS 20 1HE LYS 20 -2.808 12.607 -13.560 141 2HE LYS 20 2HE LYS 20 -2.677 11.446 -14.866 142 1HZ LYS 20 1HZ LYS 20 -3.479 9.955 -12.701 143 2HZ LYS 20 2HZ LYS 20 -4.347 11.324 -12.552 144 H ASP 21 H ASP 21 2.748 12.105 -8.964 145 HA ASP 21 HA ASP 21 4.481 10.245 -9.971 146 1HB ASP 21 1HB ASP 21 4.499 12.290 -7.803 147 2HB ASP 21 2HB ASP 21 5.686 11.018 -7.597 148 HD2 ASP 21 HD ASP 21 7.478 11.676 -8.271 149 H VAL 22 H VAL 22 5.572 8.394 -8.910 150 HA VAL 22 HA VAL 22 4.247 7.415 -6.493 151 HB VAL 22 HB VAL 22 3.299 6.474 -8.694 152 1HG1 VAL 22 1HG1 VAL 22 4.602 4.471 -9.518 153 2HG1 VAL 22 2HG1 VAL 22 5.299 6.056 -9.934 154 3HG1 VAL 22 3HG1 VAL 22 5.998 5.096 -8.608 155 1HG2 VAL 22 1HG2 VAL 22 2.467 4.947 -7.298 156 2HG2 VAL 22 2HG2 VAL 22 4.008 4.056 -7.308 157 3HG2 VAL 22 3HG2 VAL 22 3.740 5.355 -6.122 158 H TRP 23 H TRP 23 5.617 6.285 -5.086 159 HA TRP 23 HA TRP 23 8.353 5.855 -6.028 160 1HB TRP 23 1HB TRP 23 9.310 6.909 -4.110 161 2HB TRP 23 2HB TRP 23 8.295 8.061 -4.954 162 HD1 TRP 23 HD TRP 23 8.371 6.028 -1.668 163 HE1 TRP 23 1HE TRP 23 6.715 7.045 0.117 164 HE3 TRP 23 3HE TRP 23 6.239 9.417 -4.803 165 HZ2 TRP 23 2HZ TRP 23 4.743 9.106 0.020 166 HZ3 TRP 23 3HZ TRP 23 4.456 10.893 -3.878 167 HH2 TRP 23 HH TRP 23 3.702 10.778 -1.555 168 H LYS 24 H LYS 24 9.429 4.132 -4.858 169 HA LYS 24 HA LYS 24 7.526 2.478 -3.356 170 1HB LYS 24 1HB LYS 24 8.633 1.748 -5.632 171 2HB LYS 24 2HB LYS 24 10.025 1.399 -4.626 172 1HG LYS 24 1HG LYS 24 8.991 -0.624 -4.318 173 2HG LYS 24 2HG LYS 24 8.068 0.240 -3.106 174 1HD LYS 24 1HD LYS 24 6.159 -0.109 -4.273 175 2HD LYS 24 2HD LYS 24 6.821 0.752 -5.649 176 1HE LYS 24 1HE LYS 24 7.957 -1.353 -6.410 177 2HE LYS 24 2HE LYS 24 7.276 -2.210 -5.043 178 1HZ LYS 24 1HZ LYS 24 5.032 -1.426 -5.957 179 2HZ LYS 24 2HZ LYS 24 5.813 -1.046 -7.334 180 HA PRO 25 HA PRO 25 10.293 3.638 -0.117 181 1HB PRO 25 1HB PRO 25 8.543 3.219 1.940 182 2HB PRO 25 2HB PRO 25 8.680 4.747 1.096 183 1HG PRO 25 1HG PRO 25 6.565 2.694 0.879 184 2HG PRO 25 2HG PRO 25 6.516 4.375 0.388 185 1HD PRO 25 1HD PRO 25 6.832 2.097 -1.326 186 2HD PRO 25 2HD PRO 25 6.899 3.782 -1.800 187 H GLU 26 H GLU 26 8.208 0.808 -0.033 188 HA GLU 26 HA GLU 26 10.569 -0.646 0.839 189 1HB GLU 26 1HB GLU 26 7.797 -0.752 2.083 190 2HB GLU 26 2HB GLU 26 8.942 -2.064 2.275 191 1HG GLU 26 1HG GLU 26 10.626 -0.364 3.162 192 2HG GLU 26 2HG GLU 26 9.355 0.840 3.120 193 HE2 GLU 26 HE GLU 26 9.668 -1.435 6.216 194 HA PRO 27 HA PRO 27 9.299 -3.377 -2.287 195 1HB PRO 27 1HB PRO 27 10.658 -5.646 -1.600 196 2HB PRO 27 2HB PRO 27 11.403 -4.300 -2.440 197 1HG PRO 27 1HG PRO 27 11.674 -5.094 0.394 198 2HG PRO 27 2HG PRO 27 12.707 -4.044 -0.555 199 1HD PRO 27 1HD PRO 27 10.774 -3.235 1.404 200 2HD PRO 27 2HD PRO 27 11.724 -2.184 0.372 201 H CYS 28 H CYS 28 7.219 -2.970 -0.685 202 HA CYS 28 HA CYS 28 5.883 -5.431 -0.948 203 1HB CYS 28 1HB CYS 28 6.995 -6.158 1.012 204 2HB CYS 28 2HB CYS 28 6.738 -4.629 1.830 205 H ARG 29 H ARG 29 6.212 -2.166 0.510 206 HA ARG 29 HA ARG 29 3.375 -1.801 -0.040 207 1HB ARG 29 1HB ARG 29 4.603 -1.599 2.452 208 2HB ARG 29 2HB ARG 29 4.623 0.069 1.915 209 1HG ARG 29 1HG ARG 29 2.382 0.296 2.234 210 2HG ARG 29 2HG ARG 29 2.033 -1.161 1.325 211 1HD ARG 29 1HD ARG 29 1.452 -2.132 3.299 212 2HD ARG 29 2HD ARG 29 3.156 -2.145 3.707 213 HE ARG 29 HE ARG 29 1.122 -0.285 4.728 214 1HH1 ARG 29 2HH2 ARG 29 4.593 -0.855 4.292 215 2HH1 ARG 29 1HH2 ARG 29 5.056 0.238 5.552 216 1HH2 ARG 29 1HH ARG 29 3.360 1.411 6.773 217 H ILE 30 H ILE 30 2.847 -0.044 -1.366 218 HA ILE 30 HA ILE 30 5.112 1.640 -2.170 219 HB ILE 30 HB ILE 30 4.214 0.190 -3.919 220 1HG1 ILE 30 1HG1 ILE 30 5.111 2.573 -4.297 221 2HG1 ILE 30 2HG1 ILE 30 4.251 1.789 -5.606 222 1HG2 ILE 30 1HG2 ILE 30 1.777 1.367 -4.617 223 2HG2 ILE 30 2HG2 ILE 30 2.041 -0.264 -3.957 224 3HG2 ILE 30 3HG2 ILE 30 1.672 1.090 -2.862 225 1HD1 ILE 30 1HD1 ILE 30 3.647 4.291 -4.436 226 2HD1 ILE 30 2HD1 ILE 30 2.654 3.397 -5.612 227 3HD1 ILE 30 3HD1 ILE 30 2.369 3.191 -3.867 228 H CYS 31 H CYS 31 4.885 3.897 -2.198 229 HA CYS 31 HA CYS 31 2.450 4.832 -0.860 230 1HB CYS 31 1HB CYS 31 5.322 5.651 -0.555 231 2HB CYS 31 2HB CYS 31 4.040 6.794 -0.211 232 H VAL 32 H VAL 32 1.286 6.438 -1.934 233 HA VAL 32 HA VAL 32 2.615 7.735 -4.198 234 HB VAL 32 HB VAL 32 1.396 5.953 -5.183 235 1HG1 VAL 32 1HG1 VAL 32 -0.914 5.432 -4.745 236 2HG1 VAL 32 2HG1 VAL 32 -0.049 5.483 -3.190 237 3HG1 VAL 32 3HG1 VAL 32 -1.083 6.847 -3.678 238 1HG2 VAL 32 1HG2 VAL 32 1.125 8.421 -6.025 239 2HG2 VAL 32 2HG2 VAL 32 0.132 7.124 -6.731 240 3HG2 VAL 32 3HG2 VAL 32 -0.564 8.210 -5.505 241 H CYS 33 H CYS 33 1.777 9.853 -4.701 242 HA CYS 33 HA CYS 33 0.451 11.017 -2.383 243 1HB CYS 33 1HB CYS 33 2.571 12.013 -2.977 244 2HB CYS 33 2HB CYS 33 2.044 12.267 -4.629 245 H ASP 34 H ASP 34 -1.770 10.939 -2.635 246 HA ASP 34 HA ASP 34 -2.766 11.566 -5.300 247 1HB ASP 34 1HB ASP 34 -3.324 9.300 -4.165 248 2HB ASP 34 2HB ASP 34 -4.306 10.219 -3.042 249 HD2 ASP 34 HD ASP 34 -6.036 11.613 -4.338 250 H THR 35 H THR 35 -3.284 13.774 -5.289 251 HA THR 35 HA THR 35 -4.273 15.684 -4.720 252 HB THR 35 HB THR 35 -5.853 14.230 -2.564 253 HG1 THR 35 1HG THR 35 -7.101 13.403 -4.392 254 1HG2 THR 35 1HG2 THR 35 -6.479 16.577 -2.923 255 2HG2 THR 35 2HG2 THR 35 -6.479 16.345 -4.688 256 3HG2 THR 35 3HG2 THR 35 -7.720 15.555 -3.687 257 H GLY 36 H GLY 36 -1.778 14.685 -3.433 258 1HA GLY 36 1HA GLY 36 -0.338 15.839 -2.069 259 2HA GLY 36 2HA GLY 36 -1.678 16.724 -1.366 260 H THR 37 H THR 37 -2.765 13.582 -1.380 261 HA THR 37 HA THR 37 -1.989 13.239 1.411 262 HB THR 37 HB THR 37 -4.079 11.905 -0.390 263 HG1 THR 37 1HG THR 37 -4.525 14.120 0.197 264 1HG2 THR 37 1HG2 THR 37 -4.333 10.378 1.292 265 2HG2 THR 37 2HG2 THR 37 -3.049 11.162 2.244 266 3HG2 THR 37 3HG2 THR 37 -4.731 11.729 2.382 267 H VAL 38 H VAL 38 -0.218 12.120 1.904 268 HA VAL 38 HA VAL 38 0.852 10.282 -0.044 269 HB VAL 38 HB VAL 38 1.786 11.164 2.694 270 1HG1 VAL 38 1HG1 VAL 38 4.029 10.251 1.577 271 2HG1 VAL 38 2HG1 VAL 38 2.942 9.196 2.511 272 3HG1 VAL 38 3HG1 VAL 38 2.876 9.190 0.732 273 1HG2 VAL 38 1HG2 VAL 38 1.875 13.035 1.239 274 2HG2 VAL 38 2HG2 VAL 38 3.529 12.380 1.288 275 3HG2 VAL 38 3HG2 VAL 38 2.483 12.054 -0.115 276 H LEU 39 H LEU 39 -0.607 8.544 -0.172 277 HA LEU 39 HA LEU 39 -1.000 7.093 2.349 278 1HB LEU 39 1HB LEU 39 -3.104 6.748 1.782 279 2HB LEU 39 2HB LEU 39 -2.877 8.007 0.586 280 HG LEU 39 HG LEU 39 -3.967 6.103 -0.418 281 1HD1 LEU 39 1HD1 LEU 39 -2.880 6.340 -2.354 282 2HD1 LEU 39 2HD1 LEU 39 -1.757 7.382 -1.448 283 3HD1 LEU 39 3HD1 LEU 39 -1.370 5.663 -1.697 284 1HD2 LEU 39 1HD2 LEU 39 -2.510 4.551 1.300 285 2HD2 LEU 39 2HD2 LEU 39 -3.450 3.948 -0.087 286 3HD2 LEU 39 3HD2 LEU 39 -1.701 4.234 -0.254 287 H CYS 40 H CYS 40 -0.732 4.763 2.329 288 HA CYS 40 HA CYS 40 0.991 3.898 0.120 289 1HB CYS 40 1HB CYS 40 1.676 4.148 2.824 290 2HB CYS 40 2HB CYS 40 1.415 2.431 2.586 291 H ASP 41 H ASP 41 0.459 1.882 -0.796 292 HA ASP 41 HA ASP 41 -1.961 0.698 0.304 293 1HB ASP 41 1HB ASP 41 -0.968 1.249 -2.407 294 2HB ASP 41 2HB ASP 41 -1.421 -0.436 -2.235 295 HD2 ASP 41 HD ASP 41 -3.632 -0.846 -1.837 296 H ASP 42 H ASP 42 -1.906 -1.515 0.925 297 HA ASP 42 HA ASP 42 0.709 -2.666 1.048 298 1HB ASP 42 1HB ASP 42 -0.409 -4.419 2.410 299 2HB ASP 42 2HB ASP 42 -0.779 -2.811 3.001 300 HD2 ASP 42 HD ASP 42 -2.189 -5.314 3.208 301 H ILE 43 H ILE 43 1.404 -4.433 -0.233 302 HA ILE 43 HA ILE 43 -0.245 -5.106 -2.478 303 HB ILE 43 HB ILE 43 2.382 -4.791 -2.187 304 1HG1 ILE 43 1HG1 ILE 43 1.232 -6.807 -4.132 305 2HG1 ILE 43 2HG1 ILE 43 0.978 -5.079 -4.275 306 1HG2 ILE 43 1HG2 ILE 43 2.735 -6.659 -0.695 307 2HG2 ILE 43 2HG2 ILE 43 1.958 -7.773 -1.845 308 3HG2 ILE 43 3HG2 ILE 43 3.504 -6.996 -2.265 309 1HD1 ILE 43 1HD1 ILE 43 3.817 -5.809 -3.837 310 2HD1 ILE 43 2HD1 ILE 43 3.128 -6.460 -5.343 311 3HD1 ILE 43 3HD1 ILE 43 3.098 -4.707 -5.036 312 H ILE 44 H ILE 44 -1.800 -6.630 -2.448 313 HA ILE 44 HA ILE 44 -1.591 -8.695 -0.387 314 HB ILE 44 HB ILE 44 -4.022 -9.051 -0.986 315 1HG1 ILE 44 1HG1 ILE 44 -3.858 -6.311 -2.246 316 2HG1 ILE 44 2HG1 ILE 44 -3.736 -7.771 -3.206 317 1HG2 ILE 44 1HG2 ILE 44 -3.831 -8.043 1.042 318 2HG2 ILE 44 2HG2 ILE 44 -2.835 -6.707 0.418 319 3HG2 ILE 44 3HG2 ILE 44 -4.594 -6.706 0.148 320 1HD1 ILE 44 1HD1 ILE 44 -5.986 -7.791 -1.264 321 2HD1 ILE 44 2HD1 ILE 44 -6.109 -6.549 -2.534 322 3HD1 ILE 44 3HD1 ILE 44 -5.959 -8.265 -2.979 323 H CYS 45 H CYS 45 -0.487 -10.452 -1.098 324 HA CYS 45 HA CYS 45 -0.875 -11.215 -3.885 325 1HB CYS 45 1HB CYS 45 1.183 -12.183 -3.869 326 2HB CYS 45 2HB CYS 45 1.437 -10.881 -2.724 327 H GLU 46 H GLU 46 -0.838 -13.783 -4.133 328 HA GLU 46 HA GLU 46 -3.002 -14.695 -2.497 329 1HB GLU 46 1HB GLU 46 -1.617 -15.694 -4.992 330 2HB GLU 46 2HB GLU 46 -2.645 -16.786 -4.087 331 1HG GLU 46 1HG GLU 46 -3.748 -14.051 -4.686 332 2HG GLU 46 2HG GLU 46 -3.606 -15.165 -6.032 333 HE2 GLU 46 HE GLU 46 -5.398 -14.382 -3.352 334 H ASP 47 H ASP 47 -2.912 -17.086 -1.692 335 HA ASP 47 HA ASP 47 -0.364 -17.358 -0.330 336 1HB ASP 47 1HB ASP 47 -2.973 -17.418 0.618 337 2HB ASP 47 2HB ASP 47 -2.632 -19.128 0.438 338 HD2 ASP 47 HD ASP 47 -0.579 -19.768 1.490 339 H VAL 48 H VAL 48 0.993 -19.009 -1.050 340 HA VAL 48 HA VAL 48 0.497 -20.601 -3.188 341 HB VAL 48 HB VAL 48 2.681 -20.189 -2.181 342 1HG1 VAL 48 1HG1 VAL 48 3.359 -20.887 -0.113 343 2HG1 VAL 48 2HG1 VAL 48 1.618 -20.718 0.216 344 3HG1 VAL 48 3HG1 VAL 48 2.308 -22.323 -0.127 345 1HG2 VAL 48 1HG2 VAL 48 3.651 -22.200 -2.822 346 2HG2 VAL 48 2HG2 VAL 48 2.338 -23.179 -2.125 347 3HG2 VAL 48 3HG2 VAL 48 2.068 -22.272 -3.633 348 H LYS 49 H LYS 49 0.349 -23.088 -3.219 349 HA LYS 49 HA LYS 49 -1.536 -23.966 -1.147 350 1HB LYS 49 1HB LYS 49 -2.820 -23.403 -3.126 351 2HB LYS 49 2HB LYS 49 -1.764 -24.359 -4.144 352 1HG LYS 49 1HG LYS 49 -3.215 -26.076 -3.785 353 2HG LYS 49 2HG LYS 49 -2.492 -26.204 -2.195 354 1HD LYS 49 1HD LYS 49 -4.711 -25.952 -1.564 355 2HD LYS 49 2HD LYS 49 -4.242 -24.264 -1.595 356 1HE LYS 49 1HE LYS 49 -5.202 -25.436 -4.190 357 2HE LYS 49 2HE LYS 49 -6.407 -25.215 -2.938 358 1HZ LYS 49 1HZ LYS 49 -6.444 -23.098 -3.704 359 2HZ LYS 49 2HZ LYS 49 -5.065 -22.864 -2.871 360 H ASP 50 H ASP 50 0.265 -25.310 -4.008 361 HA ASP 50 HA ASP 50 1.766 -26.949 -2.201 362 1HB ASP 50 1HB ASP 50 -0.138 -28.108 -4.286 363 2HB ASP 50 2HB ASP 50 1.159 -29.038 -3.564 364 HD2 ASP 50 HD ASP 50 1.025 -28.999 -1.135 365 H CYS 51 H CYS 51 2.883 -24.963 -3.630 366 HA CYS 51 HA CYS 51 3.492 -25.746 -6.309 367 1HB CYS 51 1HB CYS 51 3.315 -23.356 -5.205 368 2HB CYS 51 2HB CYS 51 5.009 -23.625 -4.843 369 H LEU 52 H LEU 52 6.194 -25.306 -6.638 370 HA LEU 52 HA LEU 52 7.313 -27.541 -5.145 371 1HB LEU 52 1HB LEU 52 7.624 -26.401 -7.813 372 2HB LEU 52 2HB LEU 52 9.162 -26.723 -7.037 373 HG LEU 52 HG LEU 52 8.102 -29.075 -6.528 374 1HD1 LEU 52 1HD1 LEU 52 6.732 -29.192 -9.020 375 2HD1 LEU 52 2HD1 LEU 52 6.105 -29.507 -7.385 376 3HD1 LEU 52 3HD1 LEU 52 6.029 -27.865 -8.066 377 1HD2 LEU 52 1HD2 LEU 52 9.887 -29.425 -7.824 378 2HD2 LEU 52 2HD2 LEU 52 8.727 -29.511 -9.170 379 3HD2 LEU 52 3HD2 LEU 52 9.569 -27.983 -8.817 380 H SER 53 H SER 53 8.561 -24.340 -6.338 381 HA SER 53 HA SER 53 9.781 -24.069 -3.705 382 1HB SER 53 1HB SER 53 11.797 -23.216 -4.663 383 2HB SER 53 2HB SER 53 11.412 -24.659 -5.580 384 HG SER 53 HG SER 53 11.774 -23.240 -7.201 385 HA PRO 54 HA PRO 54 7.893 -20.147 -3.764 386 1HB PRO 54 1HB PRO 54 9.367 -18.808 -1.892 387 2HB PRO 54 2HB PRO 54 8.086 -19.931 -1.480 388 1HG PRO 54 1HG PRO 54 11.013 -20.315 -1.311 389 2HG PRO 54 2HG PRO 54 9.739 -21.227 -0.526 390 1HD PRO 54 1HD PRO 54 11.264 -22.032 -2.818 391 2HD PRO 54 2HD PRO 54 9.915 -22.891 -2.104 392 H GLU 55 H GLU 55 7.819 -18.271 -4.906 393 HA GLU 55 HA GLU 55 10.323 -17.046 -5.500 394 1HB GLU 55 1HB GLU 55 9.032 -18.863 -7.427 395 2HB GLU 55 2HB GLU 55 9.274 -17.260 -8.091 396 1HG GLU 55 1HG GLU 55 11.671 -17.327 -7.531 397 2HG GLU 55 2HG GLU 55 11.471 -18.853 -6.690 398 HE2 GLU 55 HE GLU 55 13.120 -19.315 -8.347 399 H ILE 56 H ILE 56 9.968 -14.867 -5.437 400 HA ILE 56 HA ILE 56 7.255 -13.938 -5.397 401 HB ILE 56 HB ILE 56 9.469 -13.213 -4.077 402 1HG1 ILE 56 1HG1 ILE 56 7.459 -11.065 -4.663 403 2HG1 ILE 56 2HG1 ILE 56 6.915 -12.559 -3.926 404 1HG2 ILE 56 1HG2 ILE 56 10.559 -12.339 -6.117 405 2HG2 ILE 56 2HG2 ILE 56 9.246 -11.151 -6.286 406 3HG2 ILE 56 3HG2 ILE 56 10.322 -11.093 -4.869 407 1HD1 ILE 56 1HD1 ILE 56 9.039 -12.137 -2.331 408 2HD1 ILE 56 2HD1 ILE 56 8.751 -10.450 -2.822 409 3HD1 ILE 56 3HD1 ILE 56 7.464 -11.372 -2.010 410 HA PRO 57 HA PRO 57 7.221 -13.061 -9.657 411 1HB PRO 57 1HB PRO 57 4.693 -12.034 -9.802 412 2HB PRO 57 2HB PRO 57 5.034 -13.752 -9.859 413 1HG PRO 57 1HG PRO 57 3.927 -12.157 -7.631 414 2HG PRO 57 2HG PRO 57 3.881 -13.892 -7.867 415 1HD PRO 57 1HD PRO 57 5.597 -12.449 -6.080 416 2HD PRO 57 2HD PRO 57 5.629 -14.172 -6.401 417 H PHE 58 H PHE 58 8.443 -11.541 -10.561 418 HA PHE 58 HA PHE 58 9.440 -9.531 -10.634 419 1HB PHE 58 1HB PHE 58 7.161 -9.662 -12.027 420 2HB PHE 58 2HB PHE 58 6.548 -8.545 -10.824 421 HD1 PHE 58 1HD PHE 58 9.754 -8.811 -12.737 422 HD2 PHE 58 2HD PHE 58 6.444 -6.398 -11.629 423 HE1 PHE 58 1HE PHE 58 10.723 -6.889 -14.027 424 HE2 PHE 58 2HE PHE 58 7.414 -4.476 -12.919 425 HZ PHE 58 HZ PHE 58 9.543 -4.744 -14.102 426 H GLY 59 H GLY 59 9.209 -10.147 -7.918 427 1HA GLY 59 1HA GLY 59 9.238 -9.201 -5.880 428 2HA GLY 59 2HA GLY 59 9.483 -7.669 -6.695 429 H GLU 60 H GLU 60 7.538 -9.155 -4.485 430 HA GLU 60 HA GLU 60 5.367 -7.345 -5.136 431 1HB GLU 60 1HB GLU 60 4.982 -10.259 -4.319 432 2HB GLU 60 2HB GLU 60 3.693 -9.086 -4.491 433 1HG GLU 60 1HG GLU 60 5.412 -9.157 -6.879 434 2HG GLU 60 2HG GLU 60 4.738 -10.736 -6.523 435 HE2 GLU 60 HE GLU 60 3.379 -7.385 -7.325 436 H CYS 61 H CYS 61 5.964 -9.909 -2.628 437 HA CYS 61 HA CYS 61 6.848 -8.207 -0.650 438 1HB CYS 61 1HB CYS 61 4.753 -7.057 -0.704 439 2HB CYS 61 2HB CYS 61 3.849 -8.557 -0.656 440 H CYS 62 H CYS 62 4.837 -11.016 -1.627 441 HA CYS 62 HA CYS 62 5.926 -12.503 0.640 442 1HB CYS 62 1HB CYS 62 3.920 -13.911 -0.909 443 2HB CYS 62 2HB CYS 62 3.993 -13.580 0.811 444 HA PRO 63 HA PRO 63 8.430 -14.143 -2.645 445 1HB PRO 63 1HB PRO 63 10.430 -15.121 -1.061 446 2HB PRO 63 2HB PRO 63 10.413 -13.481 -1.679 447 1HG PRO 63 1HG PRO 63 9.836 -14.436 1.058 448 2HG PRO 63 2HG PRO 63 10.237 -12.816 0.523 449 1HD PRO 63 1HD PRO 63 7.637 -13.792 1.236 450 2HD PRO 63 2HD PRO 63 8.021 -12.209 0.590 451 H ILE 64 H ILE 64 6.347 -15.497 -2.733 452 HA ILE 64 HA ILE 64 7.281 -18.220 -2.279 453 HB ILE 64 HB ILE 64 5.457 -18.919 -1.066 454 1HG1 ILE 64 1HG1 ILE 64 4.059 -16.479 -2.135 455 2HG1 ILE 64 2HG1 ILE 64 3.594 -18.165 -2.253 456 1HG2 ILE 64 1HG2 ILE 64 6.983 -17.489 0.256 457 2HG2 ILE 64 2HG2 ILE 64 5.909 -16.102 -0.045 458 3HG2 ILE 64 3HG2 ILE 64 5.318 -17.498 0.886 459 1HD1 ILE 64 1HD1 ILE 64 3.613 -16.504 0.311 460 2HD1 ILE 64 2HD1 ILE 64 2.170 -16.993 -0.612 461 3HD1 ILE 64 3HD1 ILE 64 3.162 -18.224 0.206 462 H CYS 65 H CYS 65 5.637 -19.796 -3.414 463 HA CYS 65 HA CYS 65 5.154 -18.600 -6.022 464 1HB CYS 65 1HB CYS 65 6.532 -20.511 -6.157 465 2HB CYS 65 2HB CYS 65 5.511 -21.438 -5.077 466 HA PRO 66 HA PRO 66 0.907 -18.697 -4.850 467 1HB PRO 66 1HB PRO 66 -0.083 -17.358 -7.017 468 2HB PRO 66 2HB PRO 66 0.546 -16.549 -5.595 469 1HG PRO 66 1HG PRO 66 1.796 -16.857 -8.256 470 2HG PRO 66 2HG PRO 66 2.191 -15.720 -6.983 471 1HD PRO 66 1HD PRO 66 3.642 -18.096 -7.673 472 2HD PRO 66 2HD PRO 66 3.970 -17.022 -6.327 473 H ALA 67 H ALA 67 -1.287 -19.299 -5.897 474 HA ALA 67 HA ALA 67 -0.674 -21.660 -7.538 475 1HB ALA 67 1HB ALA 67 -2.303 -21.209 -5.140 476 2HB ALA 67 2HB ALA 67 -3.219 -21.993 -6.450 477 3HB ALA 67 3HB ALA 67 -1.716 -22.733 -5.848 478 H ASP 68 H ASP 68 -0.648 -19.926 -9.322 479 HA ASP 68 HA ASP 68 -3.331 -19.841 -10.375 480 1HB ASP 68 1HB ASP 68 -2.551 -17.607 -9.142 481 2HB ASP 68 2HB ASP 68 -1.617 -17.355 -10.602 482 HD2 ASP 68 HD ASP 68 -3.005 -17.594 -12.585 483 H LEU 69 H LEU 69 0.156 -18.876 -10.795 484 HA LEU 69 HA LEU 69 0.041 -20.056 -13.478 485 1HB LEU 69 1HB LEU 69 1.346 -18.311 -14.382 486 2HB LEU 69 2HB LEU 69 -0.024 -17.583 -13.567 487 HG LEU 69 HG LEU 69 2.616 -17.825 -12.144 488 1HD1 LEU 69 1HD1 LEU 69 3.646 -16.202 -13.291 489 2HD1 LEU 69 2HD1 LEU 69 2.501 -16.605 -14.592 490 3HD1 LEU 69 3HD1 LEU 69 2.155 -15.252 -13.487 491 1HD2 LEU 69 1HD2 LEU 69 1.481 -16.792 -10.544 492 2HD2 LEU 69 2HD2 LEU 69 1.288 -15.386 -11.618 493 3HD2 LEU 69 3HD2 LEU 69 0.048 -16.664 -11.591 494 H ALA 70 H ALA 70 2.424 -20.474 -14.270 495 HA ALA 70 HA ALA 70 4.275 -21.007 -12.139 496 1HB ALA 70 1HB ALA 70 3.685 -23.464 -13.687 497 2HB ALA 70 2HB ALA 70 4.042 -23.260 -11.955 498 3HB ALA 70 3HB ALA 70 2.397 -22.960 -12.566 499 H ALA 71 H ALA 71 6.341 -20.830 -12.923 500 HA ALA 71 HA ALA 71 6.615 -20.191 -15.702 501 1HB ALA 71 1HB ALA 71 8.618 -19.268 -15.058 502 2HB ALA 71 2HB ALA 71 7.825 -19.308 -13.465 503 3HB ALA 71 3HB ALA 71 8.982 -20.583 -13.915 504 H ALA 72 H ALA 72 8.189 -22.636 -13.508 505 HA ALA 72 HA ALA 72 9.006 -24.651 -13.911 506 1HB ALA 72 1HB ALA 72 7.653 -26.139 -15.108 507 2HB ALA 72 2HB ALA 72 6.512 -24.833 -14.704 508 3HB ALA 72 3HB ALA 72 7.223 -24.923 -16.333 509 H ALA 73 H ALA 73 11.094 -23.738 -14.437 510 HA ALA 73 HA ALA 73 11.690 -23.085 -17.151 511 1HB ALA 73 1HB ALA 73 12.963 -22.986 -14.507 512 2HB ALA 73 2HB ALA 73 14.092 -23.470 -15.795 513 3HB ALA 73 3HB ALA 73 13.197 -21.936 -15.926 Start of MODEL 15 1 1H TYR 1 H TYR 1 -7.921 18.264 11.138 2 HA TYR 1 HA TYR 1 -8.672 15.782 12.530 3 1HB TYR 1 1HB TYR 1 -10.352 17.616 11.313 4 2HB TYR 1 2HB TYR 1 -9.902 16.674 9.906 5 HD1 TYR 1 1HD TYR 1 -12.375 17.024 12.261 6 HD2 TYR 1 2HD TYR 1 -9.957 13.961 10.507 7 HE1 TYR 1 1HE TYR 1 -14.133 15.286 12.855 8 HE2 TYR 1 2HE TYR 1 -11.724 12.234 11.106 9 HH TYR 1 HH TYR 1 -14.849 13.164 12.224 10 H VAL 2 H VAL 2 -8.123 13.825 11.515 11 HA VAL 2 HA VAL 2 -5.827 13.658 10.123 12 HB VAL 2 HB VAL 2 -7.322 11.868 11.194 13 1HG1 VAL 2 1HG1 VAL 2 -9.058 12.499 9.168 14 2HG1 VAL 2 2HG1 VAL 2 -8.256 11.049 8.518 15 3HG1 VAL 2 3HG1 VAL 2 -9.079 10.980 10.096 16 1HG2 VAL 2 1HG2 VAL 2 -5.126 11.400 10.224 17 2HG2 VAL 2 2HG2 VAL 2 -6.268 10.081 9.867 18 3HG2 VAL 2 3HG2 VAL 2 -5.853 11.266 8.605 19 H GLU 3 H GLU 3 -5.285 13.204 7.855 20 HA GLU 3 HA GLU 3 -5.277 13.730 5.749 21 1HB GLU 3 1HB GLU 3 -8.130 12.984 6.222 22 2HB GLU 3 2HB GLU 3 -7.813 13.842 4.727 23 1HG GLU 3 1HG GLU 3 -6.266 12.175 3.960 24 2HG GLU 3 2HG GLU 3 -6.102 11.469 5.556 25 HE2 GLU 3 HE GLU 3 -6.807 9.473 4.720 26 H PHE 4 H PHE 4 -4.603 15.743 5.159 27 HA PHE 4 HA PHE 4 -6.136 18.024 6.059 28 1HB PHE 4 1HB PHE 4 -3.395 17.288 5.344 29 2HB PHE 4 2HB PHE 4 -3.874 18.646 4.346 30 HD1 PHE 4 1HD PHE 4 -2.851 17.587 7.625 31 HD2 PHE 4 2HD PHE 4 -4.663 20.762 5.469 32 HE1 PHE 4 1HE PHE 4 -2.365 19.154 9.524 33 HE2 PHE 4 2HE PHE 4 -4.177 22.329 7.370 34 HZ PHE 4 HZ PHE 4 -3.034 21.506 9.374 35 H GLN 5 H GLN 5 -5.974 19.961 4.269 36 HA GLN 5 HA GLN 5 -6.987 18.794 1.795 37 1HB GLN 5 1HB GLN 5 -8.668 20.591 1.674 38 2HB GLN 5 2HB GLN 5 -8.864 19.668 3.151 39 1HG GLN 5 1HG GLN 5 -7.273 21.503 4.207 40 2HG GLN 5 2HG GLN 5 -7.719 22.454 2.805 41 1HE2 GLN 5 1HE2 GLN 5 -8.779 23.957 4.080 42 2HE2 GLN 5 2HE2 GLN 5 -10.332 23.671 4.791 43 H GLU 6 H GLU 6 -6.515 19.980 -0.160 44 HA GLU 6 HA GLU 6 -5.336 21.234 -1.483 45 1HB GLU 6 1HB GLU 6 -5.766 23.017 0.837 46 2HB GLU 6 2HB GLU 6 -4.353 23.449 -0.107 47 1HG GLU 6 1HG GLU 6 -5.652 24.317 -1.748 48 2HG GLU 6 2HG GLU 6 -6.502 22.796 -1.934 49 HE2 GLU 6 HE GLU 6 -8.109 25.583 -1.626 50 H ALA 7 H ALA 7 -3.376 20.532 -2.201 51 HA ALA 7 HA ALA 7 -0.986 21.106 -0.884 52 1HB ALA 7 1HB ALA 7 -1.802 19.396 0.728 53 2HB ALA 7 2HB ALA 7 -1.903 18.215 -0.600 54 3HB ALA 7 3HB ALA 7 -0.323 18.875 -0.114 55 H GLY 8 H GLY 8 0.434 21.273 -2.545 56 1HA GLY 8 1HA GLY 8 -0.249 20.056 -5.089 57 2HA GLY 8 2HA GLY 8 1.027 21.210 -4.757 58 H SER 9 H SER 9 2.757 20.228 -3.036 59 HA SER 9 HA SER 9 3.359 17.558 -4.046 60 1HB SER 9 1HB SER 9 5.395 19.647 -3.170 61 2HB SER 9 2HB SER 9 5.730 18.116 -3.954 62 HG SER 9 HG SER 9 4.096 20.150 -5.196 63 H CYS 10 H CYS 10 4.515 16.113 -2.516 64 HA CYS 10 HA CYS 10 3.911 16.867 0.248 65 1HB CYS 10 1HB CYS 10 4.087 14.287 0.550 66 2HB CYS 10 2HB CYS 10 2.617 15.019 -0.059 67 H VAL 11 H VAL 11 5.514 15.997 1.890 68 HA VAL 11 HA VAL 11 8.206 16.083 0.733 69 HB VAL 11 HB VAL 11 7.125 16.735 3.478 70 1HG1 VAL 11 1HG1 VAL 11 9.529 17.504 3.900 71 2HG1 VAL 11 2HG1 VAL 11 9.227 15.750 3.922 72 3HG1 VAL 11 3HG1 VAL 11 9.977 16.505 2.496 73 1HG2 VAL 11 1HG2 VAL 11 8.416 18.448 1.329 74 2HG2 VAL 11 2HG2 VAL 11 6.705 18.467 1.820 75 3HG2 VAL 11 3HG2 VAL 11 7.964 19.007 2.957 76 H GLN 12 H GLN 12 9.088 14.108 0.415 77 HA GLN 12 HA GLN 12 8.530 12.128 2.484 78 1HB GLN 12 1HB GLN 12 7.736 11.944 -0.168 79 2HB GLN 12 2HB GLN 12 9.256 11.071 -0.191 80 1HG GLN 12 1HG GLN 12 7.519 10.421 2.137 81 2HG GLN 12 2HG GLN 12 6.822 9.996 0.586 82 1HE2 GLN 12 1HE2 GLN 12 7.883 8.361 2.804 83 2HE2 GLN 12 2HE2 GLN 12 9.074 7.304 2.122 84 H ASP 13 H ASP 13 10.407 12.307 3.708 85 HA ASP 13 HA ASP 13 12.474 11.860 4.236 86 1HB ASP 13 1HB ASP 13 12.209 10.344 1.917 87 2HB ASP 13 2HB ASP 13 13.577 11.365 1.520 88 HD2 ASP 13 HD ASP 13 15.748 9.478 3.005 89 H GLY 14 H GLY 14 11.326 14.286 2.362 90 1HA GLY 14 1HA GLY 14 12.294 16.445 2.486 91 2HA GLY 14 2HA GLY 14 13.892 15.736 2.358 92 H GLN 15 H GLN 15 11.389 14.347 0.319 93 HA GLN 15 HA GLN 15 12.503 15.855 -1.917 94 1HB GLN 15 1HB GLN 15 12.475 13.023 -1.450 95 2HB GLN 15 2HB GLN 15 11.389 13.336 -2.789 96 1HG GLN 15 1HG GLN 15 14.071 14.727 -2.773 97 2HG GLN 15 2HG GLN 15 14.026 13.022 -3.175 98 1HE2 GLN 15 1HE2 GLN 15 12.903 12.299 -4.986 99 2HE2 GLN 15 2HE2 GLN 15 12.463 13.343 -6.296 100 H ARG 16 H ARG 16 11.045 16.957 -3.187 101 HA ARG 16 HA ARG 16 8.321 16.816 -2.373 102 1HB ARG 16 1HB ARG 16 8.062 18.664 -4.133 103 2HB ARG 16 2HB ARG 16 9.183 19.023 -2.836 104 1HG ARG 16 1HG ARG 16 10.930 19.192 -4.279 105 2HG ARG 16 2HG ARG 16 10.574 17.632 -4.994 106 1HD ARG 16 1HD ARG 16 8.931 18.621 -6.516 107 2HD ARG 16 2HD ARG 16 9.021 20.167 -5.696 108 HE ARG 16 HE ARG 16 11.644 19.715 -6.453 109 1HH1 ARG 16 2HH2 ARG 16 8.573 19.734 -8.218 110 2HH1 ARG 16 1HH2 ARG 16 9.291 20.238 -9.711 111 1HH2 ARG 16 1HH ARG 16 11.657 20.611 -9.808 112 H TYR 17 H TYR 17 6.907 15.339 -3.252 113 HA TYR 17 HA TYR 17 7.445 14.462 -6.009 114 1HB TYR 17 1HB TYR 17 6.233 13.233 -3.472 115 2HB TYR 17 2HB TYR 17 5.902 12.512 -5.034 116 HD1 TYR 17 1HD TYR 17 7.829 11.609 -6.412 117 HD2 TYR 17 2HD TYR 17 8.293 12.837 -2.340 118 HE1 TYR 17 1HE TYR 17 9.995 10.289 -6.253 119 HE2 TYR 17 2HE TYR 17 10.457 11.512 -2.195 120 HH TYR 17 HH TYR 17 11.460 9.579 -3.312 121 H ASN 18 H ASN 18 5.746 14.417 -7.512 122 HA ASN 18 HA ASN 18 3.806 16.334 -7.192 123 1HB ASN 18 1HB ASN 18 4.734 14.668 -9.260 124 2HB ASN 18 2HB ASN 18 3.070 14.155 -9.066 125 1HD2 ASN 18 1HD2 ASN 18 4.266 15.527 -11.283 126 2HD2 ASN 18 2HD2 ASN 18 3.444 17.037 -11.497 127 H ASP 19 H ASP 19 1.422 14.925 -8.237 128 HA ASP 19 HA ASP 19 0.497 13.882 -5.732 129 1HB ASP 19 1HB ASP 19 -1.011 15.400 -6.812 130 2HB ASP 19 2HB ASP 19 -0.801 14.632 -8.373 131 HD2 ASP 19 HD ASP 19 -3.800 14.517 -7.154 132 H LYS 20 H LYS 20 0.061 12.912 -9.227 133 HA LYS 20 HA LYS 20 -0.542 10.247 -8.628 134 1HB LYS 20 1HB LYS 20 -0.232 11.932 -10.974 135 2HB LYS 20 2HB LYS 20 0.458 10.346 -11.252 136 1HG LYS 20 1HG LYS 20 -1.589 9.234 -10.913 137 2HG LYS 20 2HG LYS 20 -2.238 10.509 -9.901 138 1HD LYS 20 1HD LYS 20 -3.239 11.468 -11.693 139 2HD LYS 20 2HD LYS 20 -1.692 11.645 -12.498 140 1HE LYS 20 1HE LYS 20 -2.449 10.136 -14.023 141 2HE LYS 20 2HE LYS 20 -2.219 8.913 -12.790 142 1HZ LYS 20 1HZ LYS 20 -4.653 10.106 -12.217 143 2HZ LYS 20 2HZ LYS 20 -4.665 9.903 -13.833 144 H ASP 21 H ASP 21 2.417 11.994 -8.487 145 HA ASP 21 HA ASP 21 4.239 10.184 -9.374 146 1HB ASP 21 1HB ASP 21 4.189 12.339 -7.290 147 2HB ASP 21 2HB ASP 21 5.524 11.209 -7.183 148 HD2 ASP 21 HD ASP 21 5.114 11.692 -10.620 149 H VAL 22 H VAL 22 4.481 8.030 -8.758 150 HA VAL 22 HA VAL 22 3.732 7.335 -6.009 151 HB VAL 22 HB VAL 22 3.308 5.138 -6.807 152 1HG1 VAL 22 1HG1 VAL 22 1.792 7.269 -7.497 153 2HG1 VAL 22 2HG1 VAL 22 2.114 6.587 -9.109 154 3HG1 VAL 22 3HG1 VAL 22 1.345 5.584 -7.856 155 1HG2 VAL 22 1HG2 VAL 22 5.219 4.944 -8.354 156 2HG2 VAL 22 2HG2 VAL 22 3.696 4.418 -9.112 157 3HG2 VAL 22 3HG2 VAL 22 4.387 6.011 -9.510 158 H TRP 23 H TRP 23 5.135 5.919 -4.785 159 HA TRP 23 HA TRP 23 7.796 5.514 -5.886 160 1HB TRP 23 1HB TRP 23 8.931 6.568 -4.065 161 2HB TRP 23 2HB TRP 23 7.894 7.737 -4.858 162 HD1 TRP 23 HD TRP 23 8.073 5.709 -1.560 163 HE1 TRP 23 1HE TRP 23 6.616 6.842 0.325 164 HE3 TRP 23 3HE TRP 23 6.002 9.252 -4.561 165 HZ2 TRP 23 2HZ TRP 23 4.801 9.044 0.350 166 HZ3 TRP 23 3HZ TRP 23 4.397 10.855 -3.527 167 HH2 TRP 23 HH TRP 23 3.788 10.791 -1.161 168 H LYS 24 H LYS 24 8.877 3.743 -4.834 169 HA LYS 24 HA LYS 24 7.080 2.210 -3.091 170 1HB LYS 24 1HB LYS 24 7.465 1.116 -5.215 171 2HB LYS 24 2HB LYS 24 9.200 1.298 -5.056 172 1HG LYS 24 1HG LYS 24 7.770 -0.091 -2.804 173 2HG LYS 24 2HG LYS 24 7.892 -0.962 -4.319 174 1HD LYS 24 1HD LYS 24 10.459 0.271 -3.700 175 2HD LYS 24 2HD LYS 24 9.909 -0.657 -2.319 176 1HE LYS 24 1HE LYS 24 10.030 -2.684 -3.445 177 2HE LYS 24 2HE LYS 24 9.588 -1.982 -4.988 178 1HZ LYS 24 1HZ LYS 24 11.987 -0.833 -4.511 179 2HZ LYS 24 2HZ LYS 24 12.219 -2.300 -3.844 180 HA PRO 25 HA PRO 25 10.277 3.255 -0.230 181 1HB PRO 25 1HB PRO 25 8.768 2.962 2.030 182 2HB PRO 25 2HB PRO 25 8.886 4.470 1.145 183 1HG PRO 25 1HG PRO 25 6.650 2.537 1.223 184 2HG PRO 25 2HG PRO 25 6.635 4.213 0.709 185 1HD PRO 25 1HD PRO 25 6.617 1.898 -0.985 186 2HD PRO 25 2HD PRO 25 6.718 3.570 -1.498 187 H GLU 26 H GLU 26 8.089 0.529 0.069 188 HA GLU 26 HA GLU 26 10.436 -1.066 0.616 189 1HB GLU 26 1HB GLU 26 7.956 -1.000 2.384 190 2HB GLU 26 2HB GLU 26 9.136 -2.295 2.438 191 1HG GLU 26 1HG GLU 26 10.915 -0.746 3.085 192 2HG GLU 26 2HG GLU 26 9.877 0.641 2.815 193 HE2 GLU 26 HE GLU 26 10.518 0.624 5.607 194 HA PRO 27 HA PRO 27 8.342 -3.776 -2.048 195 1HB PRO 27 1HB PRO 27 9.593 -6.146 -1.513 196 2HB PRO 27 2HB PRO 27 10.283 -4.911 -2.547 197 1HG PRO 27 1HG PRO 27 11.021 -5.632 0.223 198 2HG PRO 27 2HG PRO 27 11.944 -4.724 -0.958 199 1HD PRO 27 1HD PRO 27 10.507 -3.660 1.285 200 2HD PRO 27 2HD PRO 27 11.333 -2.745 0.039 201 H CYS 28 H CYS 28 6.648 -3.110 -0.120 202 HA CYS 28 HA CYS 28 5.073 -5.437 0.010 203 1HB CYS 28 1HB CYS 28 6.670 -6.020 1.794 204 2HB CYS 28 2HB CYS 28 6.274 -4.535 2.637 205 H ARG 29 H ARG 29 5.961 -2.160 1.165 206 HA ARG 29 HA ARG 29 3.116 -1.540 1.131 207 1HB ARG 29 1HB ARG 29 4.461 -1.465 3.415 208 2HB ARG 29 2HB ARG 29 5.121 0.033 2.788 209 1HG ARG 29 1HG ARG 29 3.263 1.065 3.588 210 2HG ARG 29 2HG ARG 29 2.374 0.297 2.288 211 1HD ARG 29 1HD ARG 29 1.468 -1.338 3.674 212 2HD ARG 29 2HD ARG 29 2.876 -1.395 4.716 213 HE ARG 29 HE ARG 29 0.562 0.379 5.002 214 1HH1 ARG 29 2HH2 ARG 29 3.980 -0.061 5.829 215 2HH1 ARG 29 1HH2 ARG 29 3.905 0.972 7.217 216 1HH2 ARG 29 1HH ARG 29 1.828 2.022 7.788 217 H ILE 30 H ILE 30 2.537 0.078 -0.311 218 HA ILE 30 HA ILE 30 4.752 1.611 -1.477 219 HB ILE 30 HB ILE 30 3.283 1.850 -3.443 220 1HG1 ILE 30 1HG1 ILE 30 1.481 -0.312 -3.027 221 2HG1 ILE 30 2HG1 ILE 30 1.311 0.765 -1.656 222 1HG2 ILE 30 1HG2 ILE 30 3.284 -0.935 -3.642 223 2HG2 ILE 30 2HG2 ILE 30 4.582 0.182 -4.126 224 3HG2 ILE 30 3HG2 ILE 30 4.602 -0.557 -2.507 225 1HD1 ILE 30 1HD1 ILE 30 1.485 2.040 -4.372 226 2HD1 ILE 30 2HD1 ILE 30 -0.016 1.178 -3.960 227 3HD1 ILE 30 3HD1 ILE 30 0.540 2.531 -2.947 228 H CYS 31 H CYS 31 4.489 3.880 -1.802 229 HA CYS 31 HA CYS 31 2.223 5.000 -0.324 230 1HB CYS 31 1HB CYS 31 5.096 5.354 0.134 231 2HB CYS 31 2HB CYS 31 4.233 6.869 -0.043 232 H VAL 32 H VAL 32 1.144 6.640 -1.440 233 HA VAL 32 HA VAL 32 2.506 7.779 -3.765 234 HB VAL 32 HB VAL 32 1.201 5.953 -4.623 235 1HG1 VAL 32 1HG1 VAL 32 -0.404 6.081 -2.536 236 2HG1 VAL 32 2HG1 VAL 32 -1.374 7.119 -3.608 237 3HG1 VAL 32 3HG1 VAL 32 -0.992 5.450 -4.094 238 1HG2 VAL 32 1HG2 VAL 32 1.233 8.242 -5.774 239 2HG2 VAL 32 2HG2 VAL 32 -0.032 7.096 -6.278 240 3HG2 VAL 32 3HG2 VAL 32 -0.434 8.437 -5.178 241 H CYS 33 H CYS 33 1.751 9.906 -4.339 242 HA CYS 33 HA CYS 33 0.546 11.226 -2.056 243 1HB CYS 33 1HB CYS 33 2.702 11.916 -3.462 244 2HB CYS 33 2HB CYS 33 1.502 12.729 -4.446 245 H ASP 34 H ASP 34 -1.517 9.928 -2.798 246 HA ASP 34 HA ASP 34 -2.748 10.732 -5.178 247 1HB ASP 34 1HB ASP 34 -3.241 8.911 -3.011 248 2HB ASP 34 2HB ASP 34 -4.675 9.906 -3.171 249 HD2 ASP 34 HD ASP 34 -3.916 6.860 -5.276 250 H THR 35 H THR 35 -4.017 12.576 -5.558 251 HA THR 35 HA THR 35 -4.969 14.557 -5.203 252 HB THR 35 HB THR 35 -5.948 13.069 -2.710 253 HG1 THR 35 1HG THR 35 -6.343 12.241 -4.971 254 1HG2 THR 35 1HG2 THR 35 -6.797 15.671 -4.045 255 2HG2 THR 35 2HG2 THR 35 -7.992 14.650 -3.210 256 3HG2 THR 35 3HG2 THR 35 -6.616 15.327 -2.308 257 H GLY 36 H GLY 36 -2.188 14.059 -4.200 258 1HA GLY 36 1HA GLY 36 -0.691 15.609 -3.405 259 2HA GLY 36 2HA GLY 36 -1.995 16.528 -2.680 260 H THR 37 H THR 37 -3.012 13.719 -1.598 261 HA THR 37 HA THR 37 -1.507 13.940 0.880 262 HB THR 37 HB THR 37 -4.068 12.523 -0.005 263 HG1 THR 37 1HG THR 37 -4.681 14.555 0.623 264 1HG2 THR 37 1HG2 THR 37 -4.180 12.484 2.708 265 2HG2 THR 37 2HG2 THR 37 -3.553 11.103 1.778 266 3HG2 THR 37 3HG2 THR 37 -2.424 12.270 2.508 267 H VAL 38 H VAL 38 -0.070 12.496 1.679 268 HA VAL 38 HA VAL 38 0.857 10.500 -0.173 269 HB VAL 38 HB VAL 38 1.765 11.339 2.587 270 1HG1 VAL 38 1HG1 VAL 38 3.930 10.161 1.757 271 2HG1 VAL 38 2HG1 VAL 38 2.600 9.170 2.402 272 3HG1 VAL 38 3HG1 VAL 38 2.839 9.302 0.643 273 1HG2 VAL 38 1HG2 VAL 38 2.302 12.322 -0.153 274 2HG2 VAL 38 2HG2 VAL 38 2.429 13.155 1.415 275 3HG2 VAL 38 3HG2 VAL 38 3.741 12.084 0.867 276 H LEU 39 H LEU 39 -0.773 8.923 -0.338 277 HA LEU 39 HA LEU 39 -1.563 7.653 2.175 278 1HB LEU 39 1HB LEU 39 -2.854 8.202 -0.368 279 2HB LEU 39 2HB LEU 39 -2.986 6.510 0.069 280 HG LEU 39 HG LEU 39 -3.886 8.878 1.731 281 1HD1 LEU 39 1HD1 LEU 39 -6.093 8.284 1.228 282 2HD1 LEU 39 2HD1 LEU 39 -5.233 8.152 -0.325 283 3HD1 LEU 39 3HD1 LEU 39 -5.621 6.684 0.604 284 1HD2 LEU 39 1HD2 LEU 39 -4.806 6.292 2.663 285 2HD2 LEU 39 2HD2 LEU 39 -3.028 6.392 2.677 286 3HD2 LEU 39 3HD2 LEU 39 -3.996 7.606 3.550 287 H CYS 40 H CYS 40 -1.192 5.448 2.575 288 HA CYS 40 HA CYS 40 0.696 4.234 0.691 289 1HB CYS 40 1HB CYS 40 0.975 4.776 3.463 290 2HB CYS 40 2HB CYS 40 0.833 3.037 3.295 291 H ASP 41 H ASP 41 0.026 2.299 -0.212 292 HA ASP 41 HA ASP 41 -2.420 1.190 0.904 293 1HB ASP 41 1HB ASP 41 -1.791 1.917 -1.700 294 2HB ASP 41 2HB ASP 41 -1.436 0.200 -1.727 295 HD2 ASP 41 HD ASP 41 -3.650 1.873 -2.855 296 H ASP 42 H ASP 42 -2.563 -1.292 0.791 297 HA ASP 42 HA ASP 42 -0.039 -2.365 1.638 298 1HB ASP 42 1HB ASP 42 -2.698 -2.772 2.385 299 2HB ASP 42 2HB ASP 42 -2.361 -4.200 1.429 300 HD2 ASP 42 HD ASP 42 -2.740 -5.081 3.667 301 H ILE 43 H ILE 43 1.267 -3.532 0.216 302 HA ILE 43 HA ILE 43 0.362 -4.026 -2.432 303 HB ILE 43 HB ILE 43 2.882 -4.941 -1.040 304 1HG1 ILE 43 1HG1 ILE 43 2.396 -2.400 -2.623 305 2HG1 ILE 43 2HG1 ILE 43 2.515 -2.486 -0.877 306 1HG2 ILE 43 1HG2 ILE 43 2.233 -4.608 -3.982 307 2HG2 ILE 43 2HG2 ILE 43 3.819 -5.043 -3.301 308 3HG2 ILE 43 3HG2 ILE 43 2.437 -6.148 -3.112 309 1HD1 ILE 43 1HD1 ILE 43 4.800 -3.860 -1.687 310 2HD1 ILE 43 2HD1 ILE 43 4.655 -2.574 -2.909 311 3HD1 ILE 43 3HD1 ILE 43 4.747 -2.153 -1.182 312 H ILE 44 H ILE 44 -1.289 -5.497 -2.629 313 HA ILE 44 HA ILE 44 -1.144 -7.947 -1.095 314 HB ILE 44 HB ILE 44 -3.335 -8.380 -2.274 315 1HG1 ILE 44 1HG1 ILE 44 -3.191 -5.460 -3.049 316 2HG1 ILE 44 2HG1 ILE 44 -2.769 -6.746 -4.163 317 1HG2 ILE 44 1HG2 ILE 44 -3.766 -7.730 -0.156 318 2HG2 ILE 44 2HG2 ILE 44 -2.726 -6.290 -0.262 319 3HG2 ILE 44 3HG2 ILE 44 -4.362 -6.259 -0.963 320 1HD1 ILE 44 1HD1 ILE 44 -5.066 -6.362 -4.603 321 2HD1 ILE 44 2HD1 ILE 44 -5.084 -7.789 -3.538 322 3HD1 ILE 44 3HD1 ILE 44 -5.458 -6.179 -2.876 323 H CYS 45 H CYS 45 0.269 -9.463 -1.803 324 HA CYS 45 HA CYS 45 0.724 -9.663 -4.657 325 1HB CYS 45 1HB CYS 45 2.674 -10.783 -4.184 326 2HB CYS 45 2HB CYS 45 2.551 -9.660 -2.844 327 H GLU 46 H GLU 46 0.926 -12.115 -5.438 328 HA GLU 46 HA GLU 46 -1.611 -13.192 -5.266 329 1HB GLU 46 1HB GLU 46 1.023 -14.019 -6.417 330 2HB GLU 46 2HB GLU 46 -0.143 -15.305 -6.174 331 1HG GLU 46 1HG GLU 46 -1.820 -14.128 -7.522 332 2HG GLU 46 2HG GLU 46 -0.805 -12.704 -7.628 333 HE2 GLU 46 HE GLU 46 0.863 -13.608 -10.245 334 H ASP 47 H ASP 47 -2.059 -15.578 -4.587 335 HA ASP 47 HA ASP 47 -0.443 -16.529 -2.455 336 1HB ASP 47 1HB ASP 47 -2.325 -16.506 -0.777 337 2HB ASP 47 2HB ASP 47 -1.711 -14.911 -1.164 338 HD2 ASP 47 HD ASP 47 -4.486 -16.718 -0.972 339 H VAL 48 H VAL 48 -1.722 -18.574 -1.439 340 HA VAL 48 HA VAL 48 -3.442 -19.736 -3.511 341 HB VAL 48 HB VAL 48 -1.051 -21.003 -2.162 342 1HG1 VAL 48 1HG1 VAL 48 -1.918 -23.027 -2.514 343 2HG1 VAL 48 2HG1 VAL 48 -3.454 -22.254 -2.974 344 3HG1 VAL 48 3HG1 VAL 48 -2.241 -22.637 -4.220 345 1HG2 VAL 48 1HG2 VAL 48 -0.909 -19.426 -4.283 346 2HG2 VAL 48 2HG2 VAL 48 0.047 -20.924 -4.183 347 3HG2 VAL 48 3HG2 VAL 48 -1.460 -20.891 -5.129 348 H LYS 49 H LYS 49 -2.336 -21.758 -0.907 349 HA LYS 49 HA LYS 49 -4.328 -20.938 0.966 350 1HB LYS 49 1HB LYS 49 -5.844 -22.011 -0.555 351 2HB LYS 49 2HB LYS 49 -4.802 -23.411 -0.717 352 1HG LYS 49 1HG LYS 49 -6.247 -24.253 0.882 353 2HG LYS 49 2HG LYS 49 -5.090 -23.497 1.960 354 1HD LYS 49 1HD LYS 49 -6.671 -21.347 1.559 355 2HD LYS 49 2HD LYS 49 -7.860 -22.584 1.203 356 1HE LYS 49 1HE LYS 49 -6.887 -23.663 3.478 357 2HE LYS 49 2HE LYS 49 -6.450 -21.997 3.802 358 1HZ LYS 49 1HZ LYS 49 -8.890 -23.018 4.280 359 2HZ LYS 49 2HZ LYS 49 -8.620 -21.428 4.055 360 H ASP 50 H ASP 50 -2.887 -24.141 0.048 361 HA ASP 50 HA ASP 50 -1.286 -23.905 2.467 362 1HB ASP 50 1HB ASP 50 -2.642 -26.462 1.497 363 2HB ASP 50 2HB ASP 50 -1.704 -26.280 2.966 364 HD2 ASP 50 HD ASP 50 -3.607 -24.884 4.871 365 H CYS 51 H CYS 51 0.273 -23.214 0.624 366 HA CYS 51 HA CYS 51 0.978 -25.070 -1.359 367 1HB CYS 51 1HB CYS 51 1.715 -22.415 -0.574 368 2HB CYS 51 2HB CYS 51 3.177 -23.354 -0.805 369 H LEU 52 H LEU 52 3.850 -25.156 -1.135 370 HA LEU 52 HA LEU 52 4.065 -27.103 1.028 371 1HB LEU 52 1HB LEU 52 4.559 -27.630 -1.415 372 2HB LEU 52 2HB LEU 52 5.995 -26.641 -1.238 373 HG LEU 52 HG LEU 52 6.548 -28.198 0.775 374 1HD1 LEU 52 1HD1 LEU 52 4.149 -29.461 -0.312 375 2HD1 LEU 52 2HD1 LEU 52 5.534 -30.574 -0.209 376 3HD1 LEU 52 3HD1 LEU 52 4.977 -29.710 1.244 377 1HD2 LEU 52 1HD2 LEU 52 7.803 -29.658 -0.653 378 2HD2 LEU 52 2HD2 LEU 52 6.721 -29.330 -2.029 379 3HD2 LEU 52 3HD2 LEU 52 7.772 -28.040 -1.394 380 H SER 53 H SER 53 6.230 -24.630 -0.532 381 HA SER 53 HA SER 53 7.028 -23.924 2.182 382 1HB SER 53 1HB SER 53 8.746 -24.321 -0.294 383 2HB SER 53 2HB SER 53 9.308 -23.358 1.058 384 HG SER 53 HG SER 53 9.646 -25.133 2.230 385 HA PRO 54 HA PRO 54 5.836 -19.971 0.727 386 1HB PRO 54 1HB PRO 54 6.406 -18.531 2.979 387 2HB PRO 54 2HB PRO 54 4.910 -19.417 2.761 388 1HG PRO 54 1HG PRO 54 7.245 -20.106 4.439 389 2HG PRO 54 2HG PRO 54 5.609 -20.727 4.526 390 1HD PRO 54 1HD PRO 54 7.893 -22.059 3.415 391 2HD PRO 54 2HD PRO 54 6.236 -22.630 3.399 392 H GLU 55 H GLU 55 6.701 -18.408 -0.522 393 HA GLU 55 HA GLU 55 9.288 -17.470 0.198 394 1HB GLU 55 1HB GLU 55 9.430 -19.739 -1.249 395 2HB GLU 55 2HB GLU 55 9.204 -18.621 -2.579 396 1HG GLU 55 1HG GLU 55 11.135 -17.245 -1.706 397 2HG GLU 55 2HG GLU 55 11.385 -18.439 -0.447 398 HE2 GLU 55 HE GLU 55 13.654 -18.598 -2.693 399 H ILE 56 H ILE 56 9.278 -15.310 -0.256 400 HA ILE 56 HA ILE 56 7.140 -14.225 -1.782 401 HB ILE 56 HB ILE 56 8.709 -13.354 0.254 402 1HG1 ILE 56 1HG1 ILE 56 7.244 -11.479 -1.613 403 2HG1 ILE 56 2HG1 ILE 56 6.411 -12.613 -0.569 404 1HG2 ILE 56 1HG2 ILE 56 10.654 -12.934 -1.095 405 2HG2 ILE 56 2HG2 ILE 56 9.701 -11.981 -2.258 406 3HG2 ILE 56 3HG2 ILE 56 9.949 -11.375 -0.603 407 1HD1 ILE 56 1HD1 ILE 56 7.085 -10.086 0.201 408 2HD1 ILE 56 2HD1 ILE 56 6.910 -11.438 1.345 409 3HD1 ILE 56 3HD1 ILE 56 8.525 -10.972 0.761 410 HA PRO 57 HA PRO 57 9.217 -14.527 -5.600 411 1HB PRO 57 1HB PRO 57 7.207 -13.551 -7.173 412 2HB PRO 57 2HB PRO 57 7.309 -15.230 -6.679 413 1HG PRO 57 1HG PRO 57 5.507 -13.111 -5.678 414 2HG PRO 57 2HG PRO 57 5.352 -14.849 -5.521 415 1HD PRO 57 1HD PRO 57 6.206 -13.012 -3.490 416 2HD PRO 57 2HD PRO 57 6.161 -14.759 -3.371 417 H PHE 58 H PHE 58 10.853 -13.311 -6.287 418 HA PHE 58 HA PHE 58 12.048 -11.407 -6.314 419 1HB PHE 58 1HB PHE 58 9.738 -10.251 -7.908 420 2HB PHE 58 2HB PHE 58 11.435 -10.295 -8.338 421 HD1 PHE 58 1HD PHE 58 12.211 -13.029 -8.302 422 HD2 PHE 58 2HD PHE 58 8.479 -11.380 -9.464 423 HE1 PHE 58 1HE PHE 58 11.789 -15.021 -9.770 424 HE2 PHE 58 2HE PHE 58 8.055 -13.371 -10.933 425 HZ PHE 58 HZ PHE 58 9.715 -15.168 -11.068 426 H GLY 59 H GLY 59 10.497 -11.386 -3.923 427 1HA GLY 59 1HA GLY 59 9.805 -9.980 -2.314 428 2HA GLY 59 2HA GLY 59 10.632 -8.705 -3.186 429 H GLU 60 H GLU 60 7.663 -9.617 -1.968 430 HA GLU 60 HA GLU 60 6.342 -7.835 -3.844 431 1HB GLU 60 1HB GLU 60 5.147 -10.437 -2.793 432 2HB GLU 60 2HB GLU 60 4.313 -9.271 -3.799 433 1HG GLU 60 1HG GLU 60 6.884 -10.007 -4.995 434 2HG GLU 60 2HG GLU 60 5.927 -11.438 -4.670 435 HE2 GLU 60 HE GLU 60 6.104 -8.584 -6.448 436 H CYS 61 H CYS 61 5.287 -9.785 -0.966 437 HA CYS 61 HA CYS 61 5.464 -7.709 0.860 438 1HB CYS 61 1HB CYS 61 3.687 -6.745 -0.671 439 2HB CYS 61 2HB CYS 61 2.631 -8.036 -0.134 440 H CYS 62 H CYS 62 3.692 -10.575 -0.399 441 HA CYS 62 HA CYS 62 3.552 -11.577 2.348 442 1HB CYS 62 1HB CYS 62 1.979 -13.262 0.856 443 2HB CYS 62 2HB CYS 62 1.420 -11.945 1.870 444 HA PRO 63 HA PRO 63 6.738 -14.161 0.650 445 1HB PRO 63 1HB PRO 63 7.780 -14.991 3.036 446 2HB PRO 63 2HB PRO 63 8.298 -13.529 2.220 447 1HG PRO 63 1HG PRO 63 6.571 -13.809 4.603 448 2HG PRO 63 2HG PRO 63 7.435 -12.395 4.034 449 1HD PRO 63 1HD PRO 63 4.625 -12.908 3.777 450 2HD PRO 63 2HD PRO 63 5.508 -11.550 3.108 451 H ILE 64 H ILE 64 4.726 -15.315 -0.132 452 HA ILE 64 HA ILE 64 4.739 -17.887 1.272 453 HB ILE 64 HB ILE 64 2.415 -18.092 1.196 454 1HG1 ILE 64 1HG1 ILE 64 2.468 -15.737 -0.687 455 2HG1 ILE 64 2HG1 ILE 64 1.820 -17.342 -0.955 456 1HG2 ILE 64 1HG2 ILE 64 1.766 -16.559 2.770 457 2HG2 ILE 64 2HG2 ILE 64 3.533 -16.358 2.838 458 3HG2 ILE 64 3HG2 ILE 64 2.539 -15.194 1.929 459 1HD1 ILE 64 1HD1 ILE 64 0.682 -15.129 0.785 460 2HD1 ILE 64 2HD1 ILE 64 -0.098 -15.992 -0.561 461 3HD1 ILE 64 3HD1 ILE 64 0.174 -16.822 0.991 462 H CYS 65 H CYS 65 3.426 -19.522 -0.328 463 HA CYS 65 HA CYS 65 4.893 -19.263 -2.827 464 1HB CYS 65 1HB CYS 65 5.409 -21.327 -2.032 465 2HB CYS 65 2HB CYS 65 3.881 -21.528 -1.197 466 HA PRO 66 HA PRO 66 0.987 -18.196 -4.564 467 1HB PRO 66 1HB PRO 66 1.882 -17.557 -7.067 468 2HB PRO 66 2HB PRO 66 1.873 -16.421 -5.732 469 1HG PRO 66 1HG PRO 66 4.163 -17.861 -6.925 470 2HG PRO 66 2HG PRO 66 4.173 -16.435 -5.906 471 1HD PRO 66 1HD PRO 66 4.816 -19.116 -5.113 472 2HD PRO 66 2HD PRO 66 4.713 -17.710 -4.071 473 H ALA 67 H ALA 67 -0.021 -18.637 -6.992 474 HA ALA 67 HA ALA 67 -0.354 -21.469 -6.887 475 1HB ALA 67 1HB ALA 67 -1.830 -19.265 -7.749 476 2HB ALA 67 2HB ALA 67 -1.385 -20.090 -9.262 477 3HB ALA 67 3HB ALA 67 -2.260 -20.975 -7.990 478 H ASP 68 H ASP 68 -0.622 -21.901 -9.780 479 HA ASP 68 HA ASP 68 2.224 -21.933 -10.413 480 1HB ASP 68 1HB ASP 68 1.733 -23.970 -11.756 481 2HB ASP 68 2HB ASP 68 1.318 -24.190 -10.068 482 HD2 ASP 68 HD ASP 68 0.288 -25.286 -12.678 483 H LEU 69 H LEU 69 2.195 -19.935 -11.637 484 HA LEU 69 HA LEU 69 0.167 -19.494 -13.603 485 1HB LEU 69 1HB LEU 69 2.500 -18.053 -12.494 486 2HB LEU 69 2HB LEU 69 2.087 -17.672 -14.154 487 HG LEU 69 HG LEU 69 0.040 -17.589 -11.932 488 1HD1 LEU 69 1HD1 LEU 69 0.789 -14.953 -12.609 489 2HD1 LEU 69 2HD1 LEU 69 1.010 -15.798 -11.058 490 3HD1 LEU 69 3HD1 LEU 69 2.296 -15.843 -12.288 491 1HD2 LEU 69 1HD2 LEU 69 -0.684 -17.695 -14.350 492 2HD2 LEU 69 2HD2 LEU 69 -1.278 -16.298 -13.420 493 3HD2 LEU 69 3HD2 LEU 69 0.073 -16.097 -14.562 494 H ALA 70 H ALA 70 0.086 -20.794 -15.368 495 HA ALA 70 HA ALA 70 0.721 -21.919 -17.164 496 1HB ALA 70 1HB ALA 70 2.474 -20.903 -18.560 497 2HB ALA 70 2HB ALA 70 1.424 -19.647 -17.863 498 3HB ALA 70 3HB ALA 70 3.037 -19.940 -17.172 499 H ALA 71 H ALA 71 1.176 -23.996 -16.515 500 HA ALA 71 HA ALA 71 3.987 -24.620 -16.187 501 1HB ALA 71 1HB ALA 71 2.766 -26.139 -14.173 502 2HB ALA 71 2HB ALA 71 3.845 -24.742 -13.942 503 3HB ALA 71 3HB ALA 71 2.080 -24.509 -13.974 504 H ALA 72 H ALA 72 4.483 -26.657 -17.010 505 HA ALA 72 HA ALA 72 4.203 -28.540 -18.135 506 1HB ALA 72 1HB ALA 72 2.607 -28.833 -15.986 507 2HB ALA 72 2HB ALA 72 1.367 -28.916 -17.260 508 3HB ALA 72 3HB ALA 72 2.725 -30.068 -17.263 509 H ALA 73 H ALA 73 2.787 -29.621 -19.929 510 HA ALA 73 HA ALA 73 2.055 -29.328 -22.012 511 1HB ALA 73 1HB ALA 73 -0.131 -29.482 -21.415 512 2HB ALA 73 2HB ALA 73 0.030 -28.254 -20.137 513 3HB ALA 73 3HB ALA 73 -0.186 -27.753 -21.831 Start of MODEL 16 1 1H TYR 1 H TYR 1 -6.851 15.679 11.213 2 HA TYR 1 HA TYR 1 -6.821 18.066 11.863 3 1HB TYR 1 1HB TYR 1 -4.031 17.116 12.767 4 2HB TYR 1 2HB TYR 1 -4.606 18.767 12.872 5 HD1 TYR 1 1HD TYR 1 -6.717 19.182 14.354 6 HD2 TYR 1 2HD TYR 1 -4.298 15.661 14.586 7 HE1 TYR 1 1HE TYR 1 -7.608 18.716 16.690 8 HE2 TYR 1 2HE TYR 1 -5.197 15.207 16.920 9 HH TYR 1 HH TYR 1 -6.522 17.351 18.788 10 H VAL 2 H VAL 2 -6.941 18.528 9.690 11 HA VAL 2 HA VAL 2 -4.500 18.030 8.134 12 HB VAL 2 HB VAL 2 -7.402 18.262 7.325 13 1HG1 VAL 2 1HG1 VAL 2 -5.119 17.695 5.428 14 2HG1 VAL 2 2HG1 VAL 2 -6.799 18.152 5.056 15 3HG1 VAL 2 3HG1 VAL 2 -5.682 19.353 5.746 16 1HG2 VAL 2 1HG2 VAL 2 -5.415 15.987 7.427 17 2HG2 VAL 2 2HG2 VAL 2 -7.037 16.091 8.154 18 3HG2 VAL 2 3HG2 VAL 2 -6.861 15.928 6.390 19 H GLU 3 H GLU 3 -3.281 19.872 8.412 20 HA GLU 3 HA GLU 3 -4.314 22.375 8.829 21 1HB GLU 3 1HB GLU 3 -1.665 21.531 7.576 22 2HB GLU 3 2HB GLU 3 -2.020 23.171 8.081 23 1HG GLU 3 1HG GLU 3 -1.080 22.460 10.059 24 2HG GLU 3 2HG GLU 3 -2.705 21.887 10.374 25 HE2 GLU 3 HE GLU 3 -3.002 19.753 10.428 26 H PHE 4 H PHE 4 -4.444 24.283 7.411 27 HA PHE 4 HA PHE 4 -5.919 23.912 5.166 28 1HB PHE 4 1HB PHE 4 -5.543 26.278 4.883 29 2HB PHE 4 2HB PHE 4 -5.255 26.026 6.593 30 HD1 PHE 4 1HD PHE 4 -4.153 28.006 4.223 31 HD2 PHE 4 2HD PHE 4 -2.555 24.916 6.656 32 HE1 PHE 4 1HE PHE 4 -1.861 29.002 3.985 33 HE2 PHE 4 2HE PHE 4 -0.264 25.914 6.418 34 HZ PHE 4 HZ PHE 4 0.055 27.945 5.085 35 H GLN 5 H GLN 5 -5.454 24.302 2.847 36 HA GLN 5 HA GLN 5 -3.465 22.645 1.940 37 1HB GLN 5 1HB GLN 5 -5.276 24.696 0.704 38 2HB GLN 5 2HB GLN 5 -3.927 24.140 -0.267 39 1HG GLN 5 1HG GLN 5 -5.837 22.217 1.131 40 2HG GLN 5 2HG GLN 5 -6.125 22.812 -0.492 41 1HE2 GLN 5 1HE2 GLN 5 -5.555 20.115 0.571 42 2HE2 GLN 5 2HE2 GLN 5 -4.195 19.507 -0.312 43 H GLU 6 H GLU 6 -1.285 22.881 1.638 44 HA GLU 6 HA GLU 6 -0.293 25.624 1.740 45 1HB GLU 6 1HB GLU 6 0.295 24.080 3.689 46 2HB GLU 6 2HB GLU 6 1.222 23.110 2.562 47 1HG GLU 6 1HG GLU 6 2.002 25.840 2.138 48 2HG GLU 6 2HG GLU 6 1.981 25.586 3.872 49 HE2 GLU 6 HE GLU 6 3.357 22.860 1.626 50 H ALA 7 H ALA 7 0.619 22.299 0.561 51 HA ALA 7 HA ALA 7 1.378 23.549 -1.975 52 1HB ALA 7 1HB ALA 7 3.060 21.699 -0.245 53 2HB ALA 7 2HB ALA 7 3.384 21.983 -1.972 54 3HB ALA 7 3HB ALA 7 3.469 23.335 -0.817 55 H GLY 8 H GLY 8 1.099 22.174 -3.809 56 1HA GLY 8 1HA GLY 8 -0.996 20.277 -3.543 57 2HA GLY 8 2HA GLY 8 -0.079 20.657 -4.987 58 H SER 9 H SER 9 2.444 19.907 -4.691 59 HA SER 9 HA SER 9 2.414 17.205 -4.871 60 1HB SER 9 1HB SER 9 4.950 17.416 -4.417 61 2HB SER 9 2HB SER 9 4.297 18.336 -5.757 62 HG SER 9 HG SER 9 5.383 19.919 -4.744 63 H CYS 10 H CYS 10 3.926 15.711 -3.372 64 HA CYS 10 HA CYS 10 2.966 16.151 -0.643 65 1HB CYS 10 1HB CYS 10 3.431 13.669 -2.262 66 2HB CYS 10 2HB CYS 10 3.528 13.598 -0.514 67 H VAL 11 H VAL 11 4.494 15.808 1.108 68 HA VAL 11 HA VAL 11 7.254 16.165 0.232 69 HB VAL 11 HB VAL 11 5.814 16.655 2.841 70 1HG1 VAL 11 1HG1 VAL 11 8.758 16.793 2.171 71 2HG1 VAL 11 2HG1 VAL 11 8.043 17.758 3.485 72 3HG1 VAL 11 3HG1 VAL 11 7.959 15.980 3.539 73 1HG2 VAL 11 1HG2 VAL 11 5.263 18.417 1.415 74 2HG2 VAL 11 2HG2 VAL 11 6.687 19.040 2.284 75 3HG2 VAL 11 3HG2 VAL 11 6.859 18.413 0.626 76 H GLN 12 H GLN 12 8.436 14.337 0.029 77 HA GLN 12 HA GLN 12 7.923 12.273 2.027 78 1HB GLN 12 1HB GLN 12 7.496 11.992 -0.670 79 2HB GLN 12 2HB GLN 12 9.156 11.445 -0.559 80 1HG GLN 12 1HG GLN 12 6.795 10.367 1.051 81 2HG GLN 12 2HG GLN 12 7.612 9.542 -0.262 82 1HE2 GLN 12 1HE2 GLN 12 7.354 9.780 2.993 83 2HE2 GLN 12 2HE2 GLN 12 8.880 9.145 3.508 84 H ASP 13 H ASP 13 9.562 12.614 3.509 85 HA ASP 13 HA ASP 13 11.563 12.610 4.345 86 1HB ASP 13 1HB ASP 13 11.967 11.233 1.762 87 2HB ASP 13 2HB ASP 13 13.422 12.042 2.311 88 HD2 ASP 13 HD ASP 13 13.415 8.666 3.579 89 H GLY 14 H GLY 14 10.385 14.807 2.347 90 1HA GLY 14 1HA GLY 14 11.107 17.040 2.354 91 2HA GLY 14 2HA GLY 14 12.776 16.513 2.440 92 H GLN 15 H GLN 15 10.433 14.953 0.248 93 HA GLN 15 HA GLN 15 11.655 16.410 -1.956 94 1HB GLN 15 1HB GLN 15 11.678 13.484 -1.426 95 2HB GLN 15 2HB GLN 15 11.216 13.920 -3.059 96 1HG GLN 15 1HG GLN 15 13.334 14.572 -3.602 97 2HG GLN 15 2HG GLN 15 13.516 15.504 -2.128 98 1HE2 GLN 15 1HE2 GLN 15 14.166 12.577 -3.770 99 2HE2 GLN 15 2HE2 GLN 15 15.070 11.759 -2.540 100 H ARG 16 H ARG 16 10.217 17.072 -3.553 101 HA ARG 16 HA ARG 16 7.470 16.677 -2.920 102 1HB ARG 16 1HB ARG 16 7.077 18.290 -4.788 103 2HB ARG 16 2HB ARG 16 8.270 18.897 -3.658 104 1HG ARG 16 1HG ARG 16 9.670 19.175 -5.423 105 2HG ARG 16 2HG ARG 16 9.805 17.429 -5.504 106 1HD ARG 16 1HD ARG 16 8.005 17.272 -7.128 107 2HD ARG 16 2HD ARG 16 7.540 18.942 -6.877 108 HE ARG 16 HE ARG 16 9.746 17.980 -8.538 109 1HH1 ARG 16 2HH2 ARG 16 8.524 20.761 -6.713 110 2HH1 ARG 16 1HH2 ARG 16 9.435 21.917 -7.626 111 1HH2 ARG 16 1HH ARG 16 10.852 21.157 -9.403 112 H TYR 17 H TYR 17 6.126 15.154 -3.857 113 HA TYR 17 HA TYR 17 7.009 13.990 -6.408 114 1HB TYR 17 1HB TYR 17 6.023 12.783 -3.765 115 2HB TYR 17 2HB TYR 17 5.848 11.879 -5.256 116 HD1 TYR 17 1HD TYR 17 7.865 11.100 -6.496 117 HD2 TYR 17 2HD TYR 17 8.168 13.020 -2.683 118 HE1 TYR 17 1HE TYR 17 10.240 10.229 -6.237 119 HE2 TYR 17 2HE TYR 17 10.541 12.142 -2.438 120 HH TYR 17 HH TYR 17 12.393 11.449 -4.197 121 H ASN 18 H ASN 18 5.470 14.057 -7.974 122 HA ASN 18 HA ASN 18 3.168 15.393 -7.727 123 1HB ASN 18 1HB ASN 18 4.419 13.750 -9.697 124 2HB ASN 18 2HB ASN 18 2.788 13.126 -9.556 125 1HD2 ASN 18 1HD2 ASN 18 4.798 15.813 -10.425 126 2HD2 ASN 18 2HD2 ASN 18 3.599 16.797 -11.196 127 H ASP 19 H ASP 19 0.834 14.274 -8.169 128 HA ASP 19 HA ASP 19 0.308 12.757 -5.863 129 1HB ASP 19 1HB ASP 19 -2.019 12.555 -7.157 130 2HB ASP 19 2HB ASP 19 -1.522 14.069 -6.429 131 HD2 ASP 19 HD ASP 19 -3.132 13.850 -9.331 132 H LYS 20 H LYS 20 -0.460 12.094 -9.373 133 HA LYS 20 HA LYS 20 -0.938 9.399 -9.080 134 1HB LYS 20 1HB LYS 20 -0.959 11.263 -11.139 135 2HB LYS 20 2HB LYS 20 0.268 10.121 -11.649 136 1HG LYS 20 1HG LYS 20 -1.404 8.245 -11.102 137 2HG LYS 20 2HG LYS 20 -2.617 9.491 -10.883 138 1HD LYS 20 1HD LYS 20 -2.871 8.790 -13.151 139 2HD LYS 20 2HD LYS 20 -2.020 10.319 -13.252 140 1HE LYS 20 1HE LYS 20 0.167 9.039 -13.370 141 2HE LYS 20 2HE LYS 20 -0.748 7.544 -13.398 142 1HZ LYS 20 1HZ LYS 20 -0.136 9.101 -15.583 143 2HZ LYS 20 2HZ LYS 20 -1.181 7.851 -15.571 144 H ASP 21 H ASP 21 2.057 11.168 -8.900 145 HA ASP 21 HA ASP 21 3.779 9.197 -9.795 146 1HB ASP 21 1HB ASP 21 3.959 11.608 -8.010 147 2HB ASP 21 2HB ASP 21 5.277 10.459 -7.898 148 HD2 ASP 21 HD ASP 21 6.410 12.731 -10.371 149 H VAL 22 H VAL 22 4.119 7.165 -8.883 150 HA VAL 22 HA VAL 22 3.469 6.856 -6.040 151 HB VAL 22 HB VAL 22 2.186 5.536 -7.696 152 1HG1 VAL 22 1HG1 VAL 22 3.283 3.664 -8.867 153 2HG1 VAL 22 2HG1 VAL 22 3.913 5.241 -9.401 154 3HG1 VAL 22 3HG1 VAL 22 4.866 4.234 -8.284 155 1HG2 VAL 22 1HG2 VAL 22 2.302 3.449 -6.506 156 2HG2 VAL 22 2HG2 VAL 22 3.966 3.788 -5.969 157 3HG2 VAL 22 3HG2 VAL 22 2.612 4.763 -5.348 158 H TRP 23 H TRP 23 4.922 5.581 -4.694 159 HA TRP 23 HA TRP 23 7.572 5.129 -5.804 160 1HB TRP 23 1HB TRP 23 8.707 6.387 -4.117 161 2HB TRP 23 2HB TRP 23 7.626 7.444 -5.002 162 HD1 TRP 23 HD TRP 23 7.901 5.746 -1.525 163 HE1 TRP 23 1HE TRP 23 6.449 7.028 0.267 164 HE3 TRP 23 3HE TRP 23 5.717 8.949 -4.816 165 HZ2 TRP 23 2HZ TRP 23 4.591 9.189 0.111 166 HZ3 TRP 23 3HZ TRP 23 4.096 10.613 -3.914 167 HH2 TRP 23 HH TRP 23 3.523 10.765 -1.543 168 H LYS 24 H LYS 24 8.740 3.527 -4.568 169 HA LYS 24 HA LYS 24 7.002 2.102 -2.681 170 1HB LYS 24 1HB LYS 24 7.474 0.851 -4.723 171 2HB LYS 24 2HB LYS 24 9.198 1.062 -4.494 172 1HG LYS 24 1HG LYS 24 7.693 -0.115 -2.181 173 2HG LYS 24 2HG LYS 24 7.830 -1.124 -3.606 174 1HD LYS 24 1HD LYS 24 10.388 0.180 -2.952 175 2HD LYS 24 2HD LYS 24 9.788 -0.774 -1.611 176 1HE LYS 24 1HE LYS 24 11.116 -2.269 -2.958 177 2HE LYS 24 2HE LYS 24 9.444 -2.709 -3.245 178 1HZ LYS 24 1HZ LYS 24 11.280 -1.969 -5.164 179 2HZ LYS 24 2HZ LYS 24 9.683 -2.177 -5.404 180 HA PRO 25 HA PRO 25 10.137 3.562 0.065 181 1HB PRO 25 1HB PRO 25 8.630 3.434 2.341 182 2HB PRO 25 2HB PRO 25 8.690 4.850 1.309 183 1HG PRO 25 1HG PRO 25 6.537 2.841 1.579 184 2HG PRO 25 2HG PRO 25 6.454 4.454 0.900 185 1HD PRO 25 1HD PRO 25 6.541 1.983 -0.553 186 2HD PRO 25 2HD PRO 25 6.576 3.598 -1.231 187 H GLU 26 H GLU 26 8.072 0.782 0.608 188 HA GLU 26 HA GLU 26 10.486 -0.584 1.472 189 1HB GLU 26 1HB GLU 26 7.805 -0.521 2.895 190 2HB GLU 26 2HB GLU 26 8.914 -1.860 3.118 191 1HG GLU 26 1HG GLU 26 10.697 0.064 3.578 192 2HG GLU 26 2HG GLU 26 9.279 1.047 3.883 193 HE2 GLU 26 HE GLU 26 11.401 -0.509 5.507 194 HA PRO 27 HA PRO 27 9.035 -3.578 -1.318 195 1HB PRO 27 1HB PRO 27 10.521 -5.746 -0.570 196 2HB PRO 27 2HB PRO 27 11.146 -4.460 -1.583 197 1HG PRO 27 1HG PRO 27 11.690 -4.999 1.272 198 2HG PRO 27 2HG PRO 27 12.601 -4.010 0.149 199 1HD PRO 27 1HD PRO 27 10.822 -3.082 2.199 200 2HD PRO 27 2HD PRO 27 11.644 -2.102 1.001 201 H CYS 28 H CYS 28 7.094 -3.083 0.433 202 HA CYS 28 HA CYS 28 5.815 -5.587 0.492 203 1HB CYS 28 1HB CYS 28 7.464 -5.158 2.708 204 2HB CYS 28 2HB CYS 28 5.854 -4.759 3.275 205 H ARG 29 H ARG 29 6.184 -2.200 1.609 206 HA ARG 29 HA ARG 29 3.302 -1.940 1.294 207 1HB ARG 29 1HB ARG 29 4.120 -1.713 3.699 208 2HB ARG 29 2HB ARG 29 5.063 -0.323 3.202 209 1HG ARG 29 1HG ARG 29 3.244 1.003 3.450 210 2HG ARG 29 2HG ARG 29 2.415 0.100 2.197 211 1HD ARG 29 1HD ARG 29 0.971 -0.178 4.040 212 2HD ARG 29 2HD ARG 29 1.913 -1.656 4.090 213 HE ARG 29 HE ARG 29 3.368 0.146 5.654 214 1HH1 ARG 29 2HH2 ARG 29 0.067 -1.139 5.722 215 2HH1 ARG 29 1HH2 ARG 29 -0.086 -0.995 7.440 216 1HH2 ARG 29 1HH ARG 29 1.748 -0.125 8.714 217 H ILE 30 H ILE 30 2.624 -0.275 -0.087 218 HA ILE 30 HA ILE 30 4.780 1.388 -1.184 219 HB ILE 30 HB ILE 30 3.394 1.554 -3.190 220 1HG1 ILE 30 1HG1 ILE 30 1.586 -0.601 -2.867 221 2HG1 ILE 30 2HG1 ILE 30 1.370 0.431 -1.467 222 1HG2 ILE 30 1HG2 ILE 30 5.011 -0.076 -3.427 223 2HG2 ILE 30 2HG2 ILE 30 4.299 -1.122 -2.175 224 3HG2 ILE 30 3HG2 ILE 30 3.521 -0.986 -3.769 225 1HD1 ILE 30 1HD1 ILE 30 -0.099 1.294 -3.163 226 2HD1 ILE 30 2HD1 ILE 30 1.276 2.424 -3.090 227 3HD1 ILE 30 3HD1 ILE 30 1.178 1.223 -4.401 228 H CYS 31 H CYS 31 4.176 3.635 -1.787 229 HA CYS 31 HA CYS 31 1.859 4.627 -0.344 230 1HB CYS 31 1HB CYS 31 4.527 4.888 0.631 231 2HB CYS 31 2HB CYS 31 3.992 6.470 0.102 232 H VAL 32 H VAL 32 0.894 6.359 -1.459 233 HA VAL 32 HA VAL 32 2.447 7.538 -3.640 234 HB VAL 32 HB VAL 32 1.045 5.630 -4.455 235 1HG1 VAL 32 1HG1 VAL 32 -1.437 6.176 -4.699 236 2HG1 VAL 32 2HG1 VAL 32 -0.881 5.695 -3.077 237 3HG1 VAL 32 3HG1 VAL 32 -1.184 7.412 -3.444 238 1HG2 VAL 32 1HG2 VAL 32 -0.189 7.979 -5.759 239 2HG2 VAL 32 2HG2 VAL 32 1.585 8.039 -5.614 240 3HG2 VAL 32 3HG2 VAL 32 0.804 6.671 -6.444 241 H CYS 33 H CYS 33 1.381 9.594 -4.452 242 HA CYS 33 HA CYS 33 0.242 10.950 -2.137 243 1HB CYS 33 1HB CYS 33 2.266 11.946 -2.964 244 2HB CYS 33 2HB CYS 33 1.644 11.992 -4.602 245 H ASP 34 H ASP 34 -1.966 11.175 -2.154 246 HA ASP 34 HA ASP 34 -3.219 11.278 -4.784 247 1HB ASP 34 1HB ASP 34 -3.737 9.330 -3.133 248 2HB ASP 34 2HB ASP 34 -4.586 10.523 -2.170 249 HD2 ASP 34 HD ASP 34 -6.518 11.106 -2.806 250 H THR 35 H THR 35 -3.798 13.418 -5.212 251 HA THR 35 HA THR 35 -4.498 15.509 -4.922 252 HB THR 35 HB THR 35 -6.128 14.372 -2.596 253 HG1 THR 35 1HG THR 35 -6.373 13.004 -4.446 254 1HG2 THR 35 1HG2 THR 35 -7.668 16.082 -3.050 255 2HG2 THR 35 2HG2 THR 35 -6.154 16.931 -3.444 256 3HG2 THR 35 3HG2 THR 35 -7.148 16.233 -4.745 257 H GLY 36 H GLY 36 -2.044 14.589 -3.524 258 1HA GLY 36 1HA GLY 36 -0.514 15.888 -2.397 259 2HA GLY 36 2HA GLY 36 -1.799 16.912 -1.787 260 H THR 37 H THR 37 -2.706 13.631 -1.454 261 HA THR 37 HA THR 37 -1.839 13.677 1.360 262 HB THR 37 HB THR 37 -4.205 12.239 0.049 263 HG1 THR 37 1HG THR 37 -3.864 14.714 1.594 264 1HG2 THR 37 1HG2 THR 37 -4.356 11.256 2.114 265 2HG2 THR 37 2HG2 THR 37 -3.045 12.272 2.759 266 3HG2 THR 37 3HG2 THR 37 -4.717 12.879 2.749 267 H VAL 38 H VAL 38 -0.505 12.147 2.128 268 HA VAL 38 HA VAL 38 0.465 10.210 0.215 269 HB VAL 38 HB VAL 38 1.285 10.909 3.041 270 1HG1 VAL 38 1HG1 VAL 38 2.519 9.019 1.017 271 2HG1 VAL 38 2HG1 VAL 38 3.391 9.653 2.433 272 3HG1 VAL 38 3HG1 VAL 38 1.942 8.643 2.657 273 1HG2 VAL 38 1HG2 VAL 38 2.711 12.449 2.203 274 2HG2 VAL 38 2HG2 VAL 38 3.086 11.474 0.763 275 3HG2 VAL 38 3HG2 VAL 38 1.597 12.448 0.815 276 H LEU 39 H LEU 39 -0.899 8.494 -0.092 277 HA LEU 39 HA LEU 39 -1.953 7.241 2.346 278 1HB LEU 39 1HB LEU 39 -3.174 7.999 -0.141 279 2HB LEU 39 2HB LEU 39 -3.272 6.259 0.047 280 HG LEU 39 HG LEU 39 -4.213 6.721 2.392 281 1HD1 LEU 39 1HD1 LEU 39 -5.370 8.913 2.627 282 2HD1 LEU 39 2HD1 LEU 39 -3.594 9.027 2.657 283 3HD1 LEU 39 3HD1 LEU 39 -4.490 9.487 1.190 284 1HD2 LEU 39 1HD2 LEU 39 -6.076 7.739 0.277 285 2HD2 LEU 39 2HD2 LEU 39 -5.427 6.085 0.156 286 3HD2 LEU 39 3HD2 LEU 39 -6.362 6.572 1.590 287 H CYS 40 H CYS 40 -1.314 5.191 2.853 288 HA CYS 40 HA CYS 40 0.564 3.981 0.983 289 1HB CYS 40 1HB CYS 40 0.340 4.123 3.892 290 2HB CYS 40 2HB CYS 40 0.613 2.490 3.319 291 H ASP 41 H ASP 41 -0.011 2.123 -0.126 292 HA ASP 41 HA ASP 41 -2.549 0.939 0.673 293 1HB ASP 41 1HB ASP 41 -1.726 1.934 -1.799 294 2HB ASP 41 2HB ASP 41 -1.429 0.216 -1.979 295 HD2 ASP 41 HD ASP 41 -4.591 2.233 -2.045 296 H ASP 42 H ASP 42 -2.676 -1.482 0.494 297 HA ASP 42 HA ASP 42 -0.339 -2.679 1.472 298 1HB ASP 42 1HB ASP 42 -2.609 -3.435 2.104 299 2HB ASP 42 2HB ASP 42 -2.956 -3.869 0.442 300 HD2 ASP 42 HD ASP 42 -0.488 -4.836 2.876 301 H ILE 43 H ILE 43 0.666 -4.700 0.410 302 HA ILE 43 HA ILE 43 0.794 -4.285 -2.489 303 HB ILE 43 HB ILE 43 2.760 -5.368 -0.483 304 1HG1 ILE 43 1HG1 ILE 43 2.698 -2.976 -2.330 305 2HG1 ILE 43 2HG1 ILE 43 2.797 -2.991 -0.579 306 1HG2 ILE 43 1HG2 ILE 43 2.814 -6.859 -2.404 307 2HG2 ILE 43 2HG2 ILE 43 2.959 -5.468 -3.505 308 3HG2 ILE 43 3HG2 ILE 43 4.272 -5.837 -2.363 309 1HD1 ILE 43 1HD1 ILE 43 5.006 -4.465 -1.107 310 2HD1 ILE 43 2HD1 ILE 43 4.938 -3.516 -2.612 311 3HD1 ILE 43 3HD1 ILE 43 5.041 -2.687 -1.040 312 H ILE 44 H ILE 44 -0.445 -5.654 -3.646 313 HA ILE 44 HA ILE 44 -1.217 -8.170 -2.451 314 HB ILE 44 HB ILE 44 -2.566 -8.338 -4.584 315 1HG1 ILE 44 1HG1 ILE 44 -1.910 -5.410 -4.930 316 2HG1 ILE 44 2HG1 ILE 44 -1.030 -6.661 -5.786 317 1HG2 ILE 44 1HG2 ILE 44 -4.118 -6.419 -3.809 318 2HG2 ILE 44 2HG2 ILE 44 -3.766 -7.752 -2.684 319 3HG2 ILE 44 3HG2 ILE 44 -2.926 -6.192 -2.507 320 1HD1 ILE 44 1HD1 ILE 44 -2.693 -6.401 -7.345 321 2HD1 ILE 44 2HD1 ILE 44 -3.603 -7.483 -6.264 322 3HD1 ILE 44 3HD1 ILE 44 -3.832 -5.721 -6.160 323 H CYS 45 H CYS 45 0.186 -9.841 -2.543 324 HA CYS 45 HA CYS 45 1.918 -9.989 -4.884 325 1HB CYS 45 1HB CYS 45 2.565 -11.992 -2.976 326 2HB CYS 45 2HB CYS 45 3.507 -10.605 -3.485 327 H GLU 46 H GLU 46 2.298 -12.344 -5.690 328 HA GLU 46 HA GLU 46 -0.180 -13.390 -6.412 329 1HB GLU 46 1HB GLU 46 2.697 -14.175 -6.790 330 2HB GLU 46 2HB GLU 46 1.482 -15.395 -7.113 331 1HG GLU 46 1HG GLU 46 1.388 -14.439 -9.190 332 2HG GLU 46 2HG GLU 46 0.361 -13.250 -8.413 333 HE2 GLU 46 HE GLU 46 1.838 -11.189 -7.590 334 H ASP 47 H ASP 47 -0.778 -15.802 -6.101 335 HA ASP 47 HA ASP 47 -0.485 -16.340 -3.269 336 1HB ASP 47 1HB ASP 47 -2.552 -16.829 -5.348 337 2HB ASP 47 2HB ASP 47 -2.301 -18.196 -4.280 338 HD2 ASP 47 HD ASP 47 -4.896 -16.604 -3.839 339 H VAL 48 H VAL 48 -0.297 -18.779 -2.682 340 HA VAL 48 HA VAL 48 1.290 -20.172 -4.727 341 HB VAL 48 HB VAL 48 2.694 -19.312 -2.943 342 1HG1 VAL 48 1HG1 VAL 48 0.935 -20.919 -1.058 343 2HG1 VAL 48 2HG1 VAL 48 2.434 -20.067 -0.617 344 3HG1 VAL 48 3HG1 VAL 48 1.014 -19.144 -1.163 345 1HG2 VAL 48 1HG2 VAL 48 2.994 -21.650 -4.002 346 2HG2 VAL 48 2HG2 VAL 48 3.905 -21.273 -2.521 347 3HG2 VAL 48 3HG2 VAL 48 2.437 -22.276 -2.432 348 H LYS 49 H LYS 49 1.104 -22.521 -4.727 349 HA LYS 49 HA LYS 49 -1.244 -23.492 -3.269 350 1HB LYS 49 1HB LYS 49 -0.688 -23.812 -6.230 351 2HB LYS 49 2HB LYS 49 -1.852 -24.782 -5.351 352 1HG LYS 49 1HG LYS 49 -2.164 -21.890 -4.821 353 2HG LYS 49 2HG LYS 49 -2.341 -22.282 -6.521 354 1HD LYS 49 1HD LYS 49 -3.875 -24.265 -5.572 355 2HD LYS 49 2HD LYS 49 -4.003 -23.214 -4.176 356 1HE LYS 49 1HE LYS 49 -5.332 -21.704 -5.276 357 2HE LYS 49 2HE LYS 49 -4.368 -21.771 -6.738 358 1HZ LYS 49 1HZ LYS 49 -6.720 -22.751 -6.823 359 2HZ LYS 49 2HZ LYS 49 -5.537 -23.659 -7.479 360 H ASP 50 H ASP 50 0.683 -24.113 -1.850 361 HA ASP 50 HA ASP 50 2.065 -25.598 -1.082 362 1HB ASP 50 1HB ASP 50 0.231 -27.259 -2.802 363 2HB ASP 50 2HB ASP 50 1.662 -28.046 -2.165 364 HD2 ASP 50 HD ASP 50 0.018 -29.323 -0.991 365 H CYS 51 H CYS 51 3.457 -24.124 -2.801 366 HA CYS 51 HA CYS 51 4.387 -25.462 -5.099 367 1HB CYS 51 1HB CYS 51 4.768 -22.908 -3.803 368 2HB CYS 51 2HB CYS 51 6.312 -23.563 -4.312 369 H LEU 52 H LEU 52 7.116 -25.465 -5.118 370 HA LEU 52 HA LEU 52 7.712 -27.628 -3.328 371 1HB LEU 52 1HB LEU 52 8.998 -26.338 -5.690 372 2HB LEU 52 2HB LEU 52 10.008 -27.265 -4.599 373 HG LEU 52 HG LEU 52 7.572 -28.707 -5.334 374 1HD1 LEU 52 1HD1 LEU 52 9.416 -28.572 -7.649 375 2HD1 LEU 52 2HD1 LEU 52 7.650 -28.784 -7.588 376 3HD1 LEU 52 3HD1 LEU 52 8.358 -27.162 -7.398 377 1HD2 LEU 52 1HD2 LEU 52 10.173 -29.274 -4.502 378 2HD2 LEU 52 2HD2 LEU 52 8.911 -30.442 -4.967 379 3HD2 LEU 52 3HD2 LEU 52 10.091 -29.877 -6.175 380 H SER 53 H SER 53 9.182 -24.373 -4.020 381 HA SER 53 HA SER 53 9.769 -24.226 -1.187 382 1HB SER 53 1HB SER 53 11.769 -24.152 -3.443 383 2HB SER 53 2HB SER 53 12.049 -23.115 -2.058 384 HG SER 53 HG SER 53 12.873 -24.850 -1.123 385 HA PRO 54 HA PRO 54 8.313 -20.190 -1.986 386 1HB PRO 54 1HB PRO 54 8.780 -19.056 0.455 387 2HB PRO 54 2HB PRO 54 7.372 -20.040 0.109 388 1HG PRO 54 1HG PRO 54 9.789 -20.743 1.659 389 2HG PRO 54 2HG PRO 54 8.221 -21.526 1.656 390 1HD PRO 54 1HD PRO 54 10.602 -22.450 0.351 391 2HD PRO 54 2HD PRO 54 9.008 -23.169 0.251 392 H GLU 55 H GLU 55 8.979 -18.309 -2.902 393 HA GLU 55 HA GLU 55 11.504 -17.299 -2.088 394 1HB GLU 55 1HB GLU 55 12.054 -19.190 -3.734 395 2HB GLU 55 2HB GLU 55 11.273 -18.233 -4.977 396 1HG GLU 55 1HG GLU 55 12.848 -16.322 -4.426 397 2HG GLU 55 2HG GLU 55 13.673 -17.376 -3.295 398 HE2 GLU 55 HE GLU 55 13.820 -16.263 -6.226 399 H ILE 56 H ILE 56 11.262 -15.107 -2.118 400 HA ILE 56 HA ILE 56 9.011 -13.980 -3.453 401 HB ILE 56 HB ILE 56 10.366 -13.371 -1.218 402 1HG1 ILE 56 1HG1 ILE 56 8.882 -11.305 -2.862 403 2HG1 ILE 56 2HG1 ILE 56 8.094 -12.617 -2.010 404 1HG2 ILE 56 1HG2 ILE 56 11.524 -11.196 -1.593 405 2HG2 ILE 56 2HG2 ILE 56 12.374 -12.601 -2.280 406 3HG2 ILE 56 3HG2 ILE 56 11.454 -11.509 -3.344 407 1HD1 ILE 56 1HD1 ILE 56 9.448 -11.758 0.083 408 2HD1 ILE 56 2HD1 ILE 56 9.616 -10.263 -0.867 409 3HD1 ILE 56 3HD1 ILE 56 7.998 -10.868 -0.438 410 HA PRO 57 HA PRO 57 11.126 -13.246 -7.183 411 1HB PRO 57 1HB PRO 57 9.072 -12.065 -8.543 412 2HB PRO 57 2HB PRO 57 9.274 -13.801 -8.432 413 1HG PRO 57 1HG PRO 57 7.336 -12.067 -7.026 414 2HG PRO 57 2HG PRO 57 7.287 -13.803 -7.261 415 1HD PRO 57 1HD PRO 57 8.009 -12.417 -4.856 416 2HD PRO 57 2HD PRO 57 8.072 -14.147 -5.127 417 H PHE 58 H PHE 58 12.700 -11.819 -7.512 418 HA PHE 58 HA PHE 58 13.772 -9.889 -7.115 419 1HB PHE 58 1HB PHE 58 12.516 -9.798 -9.373 420 2HB PHE 58 2HB PHE 58 11.244 -8.903 -8.566 421 HD1 PHE 58 1HD PHE 58 14.963 -8.730 -8.938 422 HD2 PHE 58 2HD PHE 58 11.285 -6.617 -8.802 423 HE1 PHE 58 1HE PHE 58 16.179 -6.584 -9.401 424 HE2 PHE 58 2HE PHE 58 12.502 -4.471 -9.264 425 HZ PHE 58 HZ PHE 58 14.934 -4.480 -9.558 426 H GLY 59 H GLY 59 12.205 -10.513 -4.807 427 1HA GLY 59 1HA GLY 59 11.423 -9.560 -2.928 428 2HA GLY 59 2HA GLY 59 12.202 -8.082 -3.458 429 H GLU 60 H GLU 60 9.255 -9.408 -2.583 430 HA GLU 60 HA GLU 60 7.878 -7.278 -4.005 431 1HB GLU 60 1HB GLU 60 6.783 -10.100 -3.620 432 2HB GLU 60 2HB GLU 60 5.925 -8.764 -4.363 433 1HG GLU 60 1HG GLU 60 8.546 -9.099 -5.614 434 2HG GLU 60 2HG GLU 60 7.666 -10.615 -5.641 435 HE2 GLU 60 HE GLU 60 8.220 -8.768 -7.782 436 H CYS 61 H CYS 61 6.871 -9.898 -1.699 437 HA CYS 61 HA CYS 61 6.930 -8.315 0.573 438 1HB CYS 61 1HB CYS 61 5.161 -7.045 -0.671 439 2HB CYS 61 2HB CYS 61 4.149 -8.475 -0.605 440 H CYS 62 H CYS 62 5.299 -10.860 -1.376 441 HA CYS 62 HA CYS 62 5.117 -12.485 1.049 442 1HB CYS 62 1HB CYS 62 3.712 -12.950 -1.586 443 2HB CYS 62 2HB CYS 62 3.455 -13.809 -0.079 444 HA PRO 63 HA PRO 63 8.553 -14.406 -1.026 445 1HB PRO 63 1HB PRO 63 9.641 -15.583 1.188 446 2HB PRO 63 2HB PRO 63 10.048 -13.961 0.669 447 1HG PRO 63 1HG PRO 63 8.330 -14.810 2.919 448 2HG PRO 63 2HG PRO 63 9.083 -13.252 2.641 449 1HD PRO 63 1HD PRO 63 6.324 -13.921 2.231 450 2HD PRO 63 2HD PRO 63 7.103 -12.399 1.844 451 H ILE 64 H ILE 64 6.686 -15.555 -2.079 452 HA ILE 64 HA ILE 64 6.845 -18.326 -1.131 453 HB ILE 64 HB ILE 64 4.562 -18.671 -1.336 454 1HG1 ILE 64 1HG1 ILE 64 4.488 -16.100 -2.915 455 2HG1 ILE 64 2HG1 ILE 64 4.036 -17.712 -3.430 456 1HG2 ILE 64 1HG2 ILE 64 4.112 -15.971 -0.284 457 2HG2 ILE 64 2HG2 ILE 64 3.900 -17.561 0.487 458 3HG2 ILE 64 3HG2 ILE 64 5.509 -16.802 0.442 459 1HD1 ILE 64 1HD1 ILE 64 2.500 -15.737 -1.794 460 2HD1 ILE 64 2HD1 ILE 64 1.917 -16.940 -2.970 461 3HD1 ILE 64 3HD1 ILE 64 2.338 -17.445 -1.315 462 H CYS 65 H CYS 65 5.779 -19.767 -3.049 463 HA CYS 65 HA CYS 65 7.318 -18.962 -5.385 464 1HB CYS 65 1HB CYS 65 8.016 -21.071 -4.882 465 2HB CYS 65 2HB CYS 65 6.472 -21.557 -4.209 466 HA PRO 66 HA PRO 66 3.393 -18.014 -7.149 467 1HB PRO 66 1HB PRO 66 4.313 -16.895 -9.465 468 2HB PRO 66 2HB PRO 66 4.133 -15.996 -7.972 469 1HG PRO 66 1HG PRO 66 6.606 -16.994 -9.248 470 2HG PRO 66 2HG PRO 66 6.426 -15.758 -8.019 471 1HD PRO 66 1HD PRO 66 7.315 -18.456 -7.623 472 2HD PRO 66 2HD PRO 66 7.025 -17.255 -6.380 473 H ALA 67 H ALA 67 2.106 -19.643 -7.727 474 HA ALA 67 HA ALA 67 3.017 -21.841 -9.102 475 1HB ALA 67 1HB ALA 67 0.987 -22.234 -8.115 476 2HB ALA 67 2HB ALA 67 0.379 -20.597 -8.464 477 3HB ALA 67 3HB ALA 67 0.391 -21.834 -9.744 478 H ASP 68 H ASP 68 0.394 -20.184 -10.790 479 HA ASP 68 HA ASP 68 2.200 -19.492 -12.938 480 1HB ASP 68 1HB ASP 68 0.127 -21.639 -12.975 481 2HB ASP 68 2HB ASP 68 0.068 -20.547 -14.345 482 HD2 ASP 68 HD ASP 68 2.325 -23.408 -14.973 483 H LEU 69 H LEU 69 1.592 -17.277 -12.241 484 HA LEU 69 HA LEU 69 -0.787 -16.364 -13.521 485 1HB LEU 69 1HB LEU 69 -1.732 -15.303 -11.479 486 2HB LEU 69 2HB LEU 69 -1.911 -17.043 -11.576 487 HG LEU 69 HG LEU 69 0.432 -15.962 -10.065 488 1HD1 LEU 69 1HD1 LEU 69 -1.950 -14.817 -9.514 489 2HD1 LEU 69 2HD1 LEU 69 -2.052 -16.263 -8.481 490 3HD1 LEU 69 3HD1 LEU 69 -0.691 -15.129 -8.296 491 1HD2 LEU 69 1HD2 LEU 69 0.556 -18.030 -9.228 492 2HD2 LEU 69 2HD2 LEU 69 -1.193 -18.111 -8.913 493 3HD2 LEU 69 3HD2 LEU 69 -0.563 -18.482 -10.535 494 H ALA 70 H ALA 70 0.694 -15.154 -14.766 495 HA ALA 70 HA ALA 70 1.999 -13.440 -15.268 496 1HB ALA 70 1HB ALA 70 0.389 -12.490 -12.940 497 2HB ALA 70 2HB ALA 70 1.790 -11.494 -13.403 498 3HB ALA 70 3HB ALA 70 0.508 -11.836 -14.591 499 H ALA 71 H ALA 71 4.004 -14.517 -15.148 500 HA ALA 71 HA ALA 71 5.322 -14.801 -12.625 501 1HB ALA 71 1HB ALA 71 5.483 -16.332 -14.677 502 2HB ALA 71 2HB ALA 71 6.521 -15.079 -15.400 503 3HB ALA 71 3HB ALA 71 7.020 -15.890 -13.895 504 H ALA 72 H ALA 72 6.163 -12.993 -15.673 505 HA ALA 72 HA ALA 72 6.987 -10.749 -14.023 506 1HB ALA 72 1HB ALA 72 8.913 -12.507 -14.506 507 2HB ALA 72 2HB ALA 72 8.925 -11.727 -16.106 508 3HB ALA 72 3HB ALA 72 9.223 -10.760 -14.642 509 H ALA 73 H ALA 73 5.768 -9.140 -14.886 510 HA ALA 73 HA ALA 73 4.958 -9.275 -17.634 511 1HB ALA 73 1HB ALA 73 4.513 -7.334 -15.342 512 2HB ALA 73 2HB ALA 73 3.888 -7.039 -16.983 513 3HB ALA 73 3HB ALA 73 3.349 -8.469 -16.068 Start of MODEL 17 1 1H TYR 1 H TYR 1 -16.190 15.800 5.178 2 HA TYR 1 HA TYR 1 -15.420 17.082 3.302 3 1HB TYR 1 1HB TYR 1 -13.339 16.636 5.534 4 2HB TYR 1 2HB TYR 1 -13.343 18.040 4.486 5 HD1 TYR 1 1HD TYR 1 -15.080 16.350 7.265 6 HD2 TYR 1 2HD TYR 1 -14.948 19.840 4.794 7 HE1 TYR 1 1HE TYR 1 -16.638 17.554 8.872 8 HE2 TYR 1 2HE TYR 1 -16.506 21.034 6.411 9 HH TYR 1 HH TYR 1 -17.006 20.784 8.942 10 H VAL 2 H VAL 2 -13.691 17.560 1.756 11 HA VAL 2 HA VAL 2 -11.718 15.443 1.437 12 HB VAL 2 HB VAL 2 -12.325 15.387 -1.028 13 1HG1 VAL 2 1HG1 VAL 2 -13.037 13.778 1.040 14 2HG1 VAL 2 2HG1 VAL 2 -14.641 14.202 0.395 15 3HG1 VAL 2 3HG1 VAL 2 -13.429 13.443 -0.665 16 1HG2 VAL 2 1HG2 VAL 2 -14.638 16.950 0.062 17 2HG2 VAL 2 2HG2 VAL 2 -13.780 17.108 -1.489 18 3HG2 VAL 2 3HG2 VAL 2 -14.936 15.777 -1.243 19 H GLU 3 H GLU 3 -13.120 18.562 0.251 20 HA GLU 3 HA GLU 3 -10.802 19.367 -1.048 21 1HB GLU 3 1HB GLU 3 -13.102 20.330 -1.382 22 2HB GLU 3 2HB GLU 3 -12.983 21.108 0.184 23 1HG GLU 3 1HG GLU 3 -11.274 22.590 -0.528 24 2HG GLU 3 2HG GLU 3 -10.796 21.561 -1.863 25 HE2 GLU 3 HE GLU 3 -11.118 23.695 -2.914 26 H PHE 4 H PHE 4 -8.952 19.038 0.276 27 HA PHE 4 HA PHE 4 -8.440 21.177 2.090 28 1HB PHE 4 1HB PHE 4 -9.460 18.584 2.994 29 2HB PHE 4 2HB PHE 4 -7.801 18.743 3.534 30 HD1 PHE 4 1HD PHE 4 -11.002 19.163 4.592 31 HD2 PHE 4 2HD PHE 4 -7.368 21.345 4.412 32 HE1 PHE 4 1HE PHE 4 -11.763 20.588 6.513 33 HE2 PHE 4 2HE PHE 4 -8.127 22.771 6.333 34 HZ PHE 4 HZ PHE 4 -10.316 22.375 7.360 35 H GLN 5 H GLN 5 -6.174 21.371 2.591 36 HA GLN 5 HA GLN 5 -4.026 20.939 2.436 37 1HB GLN 5 1HB GLN 5 -5.027 18.341 2.172 38 2HB GLN 5 2HB GLN 5 -4.032 18.525 0.742 39 1HG GLN 5 1HG GLN 5 -2.278 18.001 2.100 40 2HG GLN 5 2HG GLN 5 -2.403 19.650 2.681 41 1HE2 GLN 5 1HE2 GLN 5 -4.025 20.027 4.435 42 2HE2 GLN 5 2HE2 GLN 5 -4.139 18.857 5.708 43 H GLU 6 H GLU 6 -5.836 19.926 -0.544 44 HA GLU 6 HA GLU 6 -5.709 20.572 -2.612 45 1HB GLU 6 1HB GLU 6 -4.854 22.987 -1.138 46 2HB GLU 6 2HB GLU 6 -4.268 22.952 -2.790 47 1HG GLU 6 1HG GLU 6 -6.504 22.740 -3.687 48 2HG GLU 6 2HG GLU 6 -7.181 22.366 -2.115 49 HE2 GLU 6 HE GLU 6 -8.197 24.980 -3.353 50 H ALA 7 H ALA 7 -4.286 20.556 -4.515 51 HA ALA 7 HA ALA 7 -2.108 18.927 -4.274 52 1HB ALA 7 1HB ALA 7 -1.517 19.913 -6.577 53 2HB ALA 7 2HB ALA 7 -3.140 19.205 -6.396 54 3HB ALA 7 3HB ALA 7 -2.931 20.973 -6.358 55 H GLY 8 H GLY 8 0.228 19.614 -5.069 56 1HA GLY 8 1HA GLY 8 1.397 22.015 -4.776 57 2HA GLY 8 2HA GLY 8 1.178 21.523 -3.107 58 H SER 9 H SER 9 2.081 19.375 -2.416 59 HA SER 9 HA SER 9 3.663 17.820 -3.990 60 1HB SER 9 1HB SER 9 5.041 20.290 -3.025 61 2HB SER 9 2HB SER 9 5.929 18.796 -2.806 62 HG SER 9 HG SER 9 6.403 19.743 -4.870 63 H CYS 10 H CYS 10 4.729 16.134 -2.711 64 HA CYS 10 HA CYS 10 3.914 16.258 0.098 65 1HB CYS 10 1HB CYS 10 3.984 14.048 -1.907 66 2HB CYS 10 2HB CYS 10 4.305 13.649 -0.231 67 H VAL 11 H VAL 11 5.490 15.748 1.701 68 HA VAL 11 HA VAL 11 8.229 15.805 0.694 69 HB VAL 11 HB VAL 11 7.006 16.339 3.406 70 1HG1 VAL 11 1HG1 VAL 11 9.135 16.771 4.296 71 2HG1 VAL 11 2HG1 VAL 11 9.353 15.264 3.374 72 3HG1 VAL 11 3HG1 VAL 11 9.903 16.813 2.691 73 1HG2 VAL 11 1HG2 VAL 11 8.144 18.644 2.823 74 2HG2 VAL 11 2HG2 VAL 11 7.983 18.060 1.149 75 3HG2 VAL 11 3HG2 VAL 11 6.538 18.233 2.173 76 H GLN 12 H GLN 12 9.172 13.858 0.374 77 HA GLN 12 HA GLN 12 8.640 11.845 2.410 78 1HB GLN 12 1HB GLN 12 7.643 11.645 -0.143 79 2HB GLN 12 2HB GLN 12 9.188 10.843 -0.344 80 1HG GLN 12 1HG GLN 12 7.001 10.136 1.663 81 2HG GLN 12 2HG GLN 12 7.533 9.170 0.299 82 1HE2 GLN 12 1HE2 GLN 12 7.523 9.020 3.397 83 2HE2 GLN 12 2HE2 GLN 12 9.088 8.395 3.797 84 H ASP 13 H ASP 13 10.584 12.009 3.524 85 HA ASP 13 HA ASP 13 12.678 11.567 3.933 86 1HB ASP 13 1HB ASP 13 12.277 9.962 1.747 87 2HB ASP 13 2HB ASP 13 13.515 11.025 1.106 88 HD2 ASP 13 HD ASP 13 15.549 10.930 2.137 89 H GLY 14 H GLY 14 11.437 14.001 2.167 90 1HA GLY 14 1HA GLY 14 12.411 16.145 2.174 91 2HA GLY 14 2HA GLY 14 14.001 15.432 1.990 92 H GLN 15 H GLN 15 11.373 14.058 0.087 93 HA GLN 15 HA GLN 15 12.439 15.486 -2.225 94 1HB GLN 15 1HB GLN 15 11.861 12.588 -1.765 95 2HB GLN 15 2HB GLN 15 11.403 13.216 -3.335 96 1HG GLN 15 1HG GLN 15 13.565 13.214 -4.016 97 2HG GLN 15 2HG GLN 15 14.022 14.256 -2.684 98 1HE2 GLN 15 1HE2 GLN 15 15.094 13.470 -0.985 99 2HE2 GLN 15 2HE2 GLN 15 15.546 11.815 -0.750 100 H ARG 16 H ARG 16 10.977 16.805 -3.215 101 HA ARG 16 HA ARG 16 8.257 16.605 -2.399 102 1HB ARG 16 1HB ARG 16 9.653 18.487 -4.368 103 2HB ARG 16 2HB ARG 16 7.986 18.662 -3.857 104 1HG ARG 16 1HG ARG 16 9.218 18.482 -1.409 105 2HG ARG 16 2HG ARG 16 10.506 19.216 -2.343 106 1HD ARG 16 1HD ARG 16 7.897 20.466 -2.915 107 2HD ARG 16 2HD ARG 16 8.298 20.552 -1.211 108 HE ARG 16 HE ARG 16 10.620 21.262 -2.739 109 1HH1 ARG 16 2HH2 ARG 16 7.429 22.547 -1.890 110 2HH1 ARG 16 1HH2 ARG 16 7.916 24.201 -2.051 111 1HH2 ARG 16 1HH ARG 16 10.173 24.705 -2.677 112 H TYR 17 H TYR 17 6.995 15.038 -3.379 113 HA TYR 17 HA TYR 17 7.441 14.556 -6.241 114 1HB TYR 17 1HB TYR 17 6.093 13.045 -3.918 115 2HB TYR 17 2HB TYR 17 6.044 12.460 -5.569 116 HD1 TYR 17 1HD TYR 17 7.969 12.626 -2.521 117 HD2 TYR 17 2HD TYR 17 8.233 11.853 -6.721 118 HE1 TYR 17 1HE TYR 17 10.181 11.424 -2.168 119 HE2 TYR 17 2HE TYR 17 10.445 10.654 -6.353 120 HH TYR 17 HH TYR 17 12.089 10.319 -4.912 121 H ASN 18 H ASN 18 5.448 14.063 -7.552 122 HA ASN 18 HA ASN 18 3.635 16.171 -7.220 123 1HB ASN 18 1HB ASN 18 4.412 14.518 -9.314 124 2HB ASN 18 2HB ASN 18 2.815 13.886 -8.966 125 1HD2 ASN 18 1HD2 ASN 18 4.602 16.260 -10.518 126 2HD2 ASN 18 2HD2 ASN 18 3.338 17.358 -10.963 127 H ASP 19 H ASP 19 1.153 14.818 -8.035 128 HA ASP 19 HA ASP 19 0.392 13.843 -5.450 129 1HB ASP 19 1HB ASP 19 -1.242 15.289 -6.305 130 2HB ASP 19 2HB ASP 19 -1.008 14.750 -7.956 131 HD2 ASP 19 HD ASP 19 -4.052 13.183 -7.514 132 H LYS 20 H LYS 20 -0.327 12.820 -8.884 133 HA LYS 20 HA LYS 20 -0.960 10.187 -8.188 134 1HB LYS 20 1HB LYS 20 -1.096 11.807 -10.459 135 2HB LYS 20 2HB LYS 20 0.003 10.524 -10.923 136 1HG LYS 20 1HG LYS 20 -1.642 8.811 -10.210 137 2HG LYS 20 2HG LYS 20 -2.730 10.060 -9.638 138 1HD LYS 20 1HD LYS 20 -2.430 10.963 -12.166 139 2HD LYS 20 2HD LYS 20 -2.052 9.279 -12.468 140 1HE LYS 20 1HE LYS 20 -4.352 9.252 -10.782 141 2HE LYS 20 2HE LYS 20 -4.651 10.512 -11.963 142 1HZ LYS 20 1HZ LYS 20 -3.864 7.724 -12.628 143 2HZ LYS 20 2HZ LYS 20 -5.360 8.344 -12.798 144 H ASP 21 H ASP 21 2.049 11.844 -8.276 145 HA ASP 21 HA ASP 21 3.734 9.919 -9.240 146 1HB ASP 21 1HB ASP 21 3.960 12.158 -7.237 147 2HB ASP 21 2HB ASP 21 5.284 11.015 -7.313 148 HD2 ASP 21 HD ASP 21 4.688 11.653 -10.832 149 H VAL 22 H VAL 22 4.405 7.918 -8.404 150 HA VAL 22 HA VAL 22 3.652 7.360 -5.618 151 HB VAL 22 HB VAL 22 3.805 5.543 -8.031 152 1HG1 VAL 22 1HG1 VAL 22 3.013 4.800 -5.197 153 2HG1 VAL 22 2HG1 VAL 22 3.154 3.718 -6.603 154 3HG1 VAL 22 3HG1 VAL 22 4.610 4.472 -5.909 155 1HG2 VAL 22 1HG2 VAL 22 1.616 5.885 -8.298 156 2HG2 VAL 22 2HG2 VAL 22 1.297 5.548 -6.580 157 3HG2 VAL 22 3HG2 VAL 22 1.729 7.194 -7.099 158 H TRP 23 H TRP 23 5.137 6.006 -4.379 159 HA TRP 23 HA TRP 23 7.805 5.766 -5.535 160 1HB TRP 23 1HB TRP 23 8.853 6.775 -3.597 161 2HB TRP 23 2HB TRP 23 7.838 7.924 -4.446 162 HD1 TRP 23 HD TRP 23 7.849 5.864 -1.160 163 HE1 TRP 23 1HE TRP 23 6.261 6.956 0.642 164 HE3 TRP 23 3HE TRP 23 5.922 9.414 -4.248 165 HZ2 TRP 23 2HZ TRP 23 4.418 9.135 0.575 166 HZ3 TRP 23 3HZ TRP 23 4.233 10.985 -3.300 167 HH2 TRP 23 HH TRP 23 3.478 10.885 -0.978 168 H LYS 24 H LYS 24 9.092 4.128 -4.391 169 HA LYS 24 HA LYS 24 7.361 2.314 -2.867 170 1HB LYS 24 1HB LYS 24 8.554 1.758 -5.200 171 2HB LYS 24 2HB LYS 24 9.892 1.368 -4.137 172 1HG LYS 24 1HG LYS 24 8.906 -0.630 -3.717 173 2HG LYS 24 2HG LYS 24 7.626 0.224 -2.878 174 1HD LYS 24 1HD LYS 24 6.203 -0.557 -4.467 175 2HD LYS 24 2HD LYS 24 6.952 0.571 -5.580 176 1HE LYS 24 1HE LYS 24 8.516 -1.926 -5.204 177 2HE LYS 24 2HE LYS 24 6.920 -2.200 -5.874 178 1HZ LYS 24 1HZ LYS 24 7.485 -1.135 -7.792 179 2HZ LYS 24 2HZ LYS 24 8.381 0.014 -7.062 180 HA PRO 25 HA PRO 25 10.128 3.632 0.313 181 1HB PRO 25 1HB PRO 25 8.468 3.070 2.410 182 2HB PRO 25 2HB PRO 25 8.477 4.614 1.583 183 1HG PRO 25 1HG PRO 25 6.503 2.422 1.395 184 2HG PRO 25 2HG PRO 25 6.326 4.102 0.929 185 1HD PRO 25 1HD PRO 25 6.749 1.869 -0.822 186 2HD PRO 25 2HD PRO 25 6.689 3.561 -1.277 187 H GLU 26 H GLU 26 8.204 0.687 0.543 188 HA GLU 26 HA GLU 26 10.688 -0.690 1.057 189 1HB GLU 26 1HB GLU 26 8.302 -0.680 2.935 190 2HB GLU 26 2HB GLU 26 9.428 -2.022 2.910 191 1HG GLU 26 1HG GLU 26 11.318 -0.462 3.376 192 2HG GLU 26 2HG GLU 26 10.211 0.896 3.367 193 HE2 GLU 26 HE GLU 26 9.512 -1.731 6.322 194 HA PRO 27 HA PRO 27 8.757 -3.651 -1.458 195 1HB PRO 27 1HB PRO 27 10.120 -5.932 -0.817 196 2HB PRO 27 2HB PRO 27 10.756 -4.708 -1.897 197 1HG PRO 27 1HG PRO 27 11.505 -5.277 0.905 198 2HG PRO 27 2HG PRO 27 12.392 -4.373 -0.307 199 1HD PRO 27 1HD PRO 27 10.886 -3.289 1.881 200 2HD PRO 27 2HD PRO 27 11.676 -2.387 0.603 201 H CYS 28 H CYS 28 6.986 -2.999 0.373 202 HA CYS 28 HA CYS 28 5.563 -5.413 0.627 203 1HB CYS 28 1HB CYS 28 7.365 -4.939 2.736 204 2HB CYS 28 2HB CYS 28 5.786 -4.501 3.359 205 H ARG 29 H ARG 29 6.202 -2.015 1.589 206 HA ARG 29 HA ARG 29 3.328 -1.584 1.411 207 1HB ARG 29 1HB ARG 29 4.653 -1.292 3.736 208 2HB ARG 29 2HB ARG 29 5.078 0.263 3.048 209 1HG ARG 29 1HG ARG 29 3.064 1.041 3.741 210 2HG ARG 29 2HG ARG 29 2.312 0.019 2.532 211 1HD ARG 29 1HD ARG 29 1.552 -1.470 4.096 212 2HD ARG 29 2HD ARG 29 3.081 -1.497 4.949 213 HE ARG 29 HE ARG 29 1.657 1.016 5.346 214 1HH1 ARG 29 2HH2 ARG 29 1.883 -2.338 6.468 215 2HH1 ARG 29 1HH2 ARG 29 1.222 -1.991 8.030 216 1HH2 ARG 29 1HH ARG 29 0.584 0.258 8.561 217 H ILE 30 H ILE 30 2.673 0.107 0.042 218 HA ILE 30 HA ILE 30 4.864 1.631 -1.187 219 HB ILE 30 HB ILE 30 3.298 1.791 -3.150 220 1HG1 ILE 30 1HG1 ILE 30 1.883 -0.672 -2.492 221 2HG1 ILE 30 2HG1 ILE 30 1.466 0.627 -1.391 222 1HG2 ILE 30 1HG2 ILE 30 5.301 0.233 -2.879 223 2HG2 ILE 30 2HG2 ILE 30 4.115 -1.052 -2.551 224 3HG2 ILE 30 3HG2 ILE 30 4.094 -0.198 -4.113 225 1HD1 ILE 30 1HD1 ILE 30 1.445 0.884 -4.434 226 2HD1 ILE 30 2HD1 ILE 30 0.008 0.578 -3.430 227 3HD1 ILE 30 3HD1 ILE 30 0.898 2.111 -3.267 228 H CYS 31 H CYS 31 4.510 3.879 -1.608 229 HA CYS 31 HA CYS 31 2.187 4.959 -0.188 230 1HB CYS 31 1HB CYS 31 5.053 5.478 0.249 231 2HB CYS 31 2HB CYS 31 4.076 6.924 0.081 232 H VAL 32 H VAL 32 1.312 6.912 -1.153 233 HA VAL 32 HA VAL 32 2.579 7.960 -3.512 234 HB VAL 32 HB VAL 32 1.572 6.153 -4.601 235 1HG1 VAL 32 1HG1 VAL 32 -0.740 5.414 -4.257 236 2HG1 VAL 32 2HG1 VAL 32 0.180 5.355 -2.735 237 3HG1 VAL 32 3HG1 VAL 32 -0.972 6.679 -3.026 238 1HG2 VAL 32 1HG2 VAL 32 1.084 8.464 -5.534 239 2HG2 VAL 32 2HG2 VAL 32 0.003 7.158 -6.079 240 3HG2 VAL 32 3HG2 VAL 32 -0.546 8.307 -4.834 241 H CYS 33 H CYS 33 2.162 10.122 -3.625 242 HA CYS 33 HA CYS 33 0.602 11.279 -1.587 243 1HB CYS 33 1HB CYS 33 2.641 12.283 -2.622 244 2HB CYS 33 2HB CYS 33 1.713 12.590 -4.076 245 H ASP 34 H ASP 34 -1.366 9.841 -2.261 246 HA ASP 34 HA ASP 34 -2.691 10.588 -4.640 247 1HB ASP 34 1HB ASP 34 -2.880 8.364 -3.366 248 2HB ASP 34 2HB ASP 34 -3.860 9.206 -2.183 249 HD2 ASP 34 HD ASP 34 -5.924 9.600 -2.706 250 H THR 35 H THR 35 -4.084 12.353 -4.891 251 HA THR 35 HA THR 35 -5.319 14.137 -4.410 252 HB THR 35 HB THR 35 -5.971 12.572 -1.856 253 HG1 THR 35 1HG THR 35 -7.578 11.670 -3.290 254 1HG2 THR 35 1HG2 THR 35 -8.114 14.067 -3.215 255 2HG2 THR 35 2HG2 THR 35 -7.656 14.082 -1.495 256 3HG2 THR 35 3HG2 THR 35 -6.821 15.151 -2.647 257 H GLY 36 H GLY 36 -2.447 13.960 -3.584 258 1HA GLY 36 1HA GLY 36 -1.055 15.564 -2.763 259 2HA GLY 36 2HA GLY 36 -2.423 16.420 -2.079 260 H THR 37 H THR 37 -2.993 13.330 -1.070 261 HA THR 37 HA THR 37 -1.545 13.795 1.444 262 HB THR 37 HB THR 37 -4.085 12.230 0.748 263 HG1 THR 37 1HG THR 37 -4.372 14.526 0.850 264 1HG2 THR 37 1HG2 THR 37 -3.324 11.093 2.682 265 2HG2 THR 37 2HG2 THR 37 -2.463 12.523 3.297 266 3HG2 THR 37 3HG2 THR 37 -4.238 12.443 3.395 267 H VAL 38 H VAL 38 -0.226 12.256 2.369 268 HA VAL 38 HA VAL 38 0.792 10.318 0.499 269 HB VAL 38 HB VAL 38 1.552 11.224 3.272 270 1HG1 VAL 38 1HG1 VAL 38 2.124 8.917 3.294 271 2HG1 VAL 38 2HG1 VAL 38 2.721 8.971 1.619 272 3HG1 VAL 38 3HG1 VAL 38 3.625 9.793 2.912 273 1HG2 VAL 38 1HG2 VAL 38 2.618 12.800 2.097 274 2HG2 VAL 38 2HG2 VAL 38 3.699 11.514 1.510 275 3HG2 VAL 38 3HG2 VAL 38 2.272 11.983 0.554 276 H LEU 39 H LEU 39 -0.836 8.759 0.198 277 HA LEU 39 HA LEU 39 -1.681 7.367 2.634 278 1HB LEU 39 1HB LEU 39 -3.333 8.432 0.969 279 2HB LEU 39 2HB LEU 39 -2.928 7.094 -0.087 280 HG LEU 39 HG LEU 39 -3.547 5.612 1.990 281 1HD1 LEU 39 1HD1 LEU 39 -5.622 7.504 2.735 282 2HD1 LEU 39 2HD1 LEU 39 -4.517 6.552 3.756 283 3HD1 LEU 39 3HD1 LEU 39 -3.995 8.124 3.104 284 1HD2 LEU 39 1HD2 LEU 39 -5.038 6.684 -0.241 285 2HD2 LEU 39 2HD2 LEU 39 -5.078 5.058 0.481 286 3HD2 LEU 39 3HD2 LEU 39 -6.114 6.348 1.135 287 H CYS 40 H CYS 40 -0.844 5.398 3.078 288 HA CYS 40 HA CYS 40 0.760 4.182 0.971 289 1HB CYS 40 1HB CYS 40 1.106 4.534 3.787 290 2HB CYS 40 2HB CYS 40 1.040 2.814 3.454 291 H ASP 41 H ASP 41 0.064 2.291 -0.005 292 HA ASP 41 HA ASP 41 -2.344 1.126 1.133 293 1HB ASP 41 1HB ASP 41 -1.422 1.724 -1.577 294 2HB ASP 41 2HB ASP 41 -1.811 0.020 -1.441 295 HD2 ASP 41 HD ASP 41 -3.131 2.241 -2.790 296 H ASP 42 H ASP 42 -2.493 -1.361 0.842 297 HA ASP 42 HA ASP 42 -0.032 -2.481 1.731 298 1HB ASP 42 1HB ASP 42 -1.381 -4.564 1.977 299 2HB ASP 42 2HB ASP 42 -2.145 -3.192 2.754 300 HD2 ASP 42 HD ASP 42 -4.327 -3.059 -0.224 301 H ILE 43 H ILE 43 1.314 -3.900 0.513 302 HA ILE 43 HA ILE 43 0.959 -3.848 -2.315 303 HB ILE 43 HB ILE 43 2.989 -5.074 -0.461 304 1HG1 ILE 43 1HG1 ILE 43 3.062 -2.735 -2.387 305 2HG1 ILE 43 2HG1 ILE 43 3.074 -2.654 -0.636 306 1HG2 ILE 43 1HG2 ILE 43 2.770 -6.553 -2.393 307 2HG2 ILE 43 2HG2 ILE 43 2.978 -5.167 -3.490 308 3HG2 ILE 43 3HG2 ILE 43 4.315 -5.670 -2.430 309 1HD1 ILE 43 1HD1 ILE 43 5.193 -4.373 -1.118 310 2HD1 ILE 43 2HD1 ILE 43 5.284 -3.266 -2.510 311 3HD1 ILE 43 3HD1 ILE 43 5.345 -2.619 -0.853 312 H ILE 44 H ILE 44 -0.808 -4.982 -3.050 313 HA ILE 44 HA ILE 44 -1.248 -7.645 -1.977 314 HB ILE 44 HB ILE 44 -3.279 -7.513 -3.475 315 1HG1 ILE 44 1HG1 ILE 44 -2.658 -4.558 -3.619 316 2HG1 ILE 44 2HG1 ILE 44 -2.226 -5.664 -4.908 317 1HG2 ILE 44 1HG2 ILE 44 -2.712 -5.923 -1.033 318 2HG2 ILE 44 2HG2 ILE 44 -4.222 -5.552 -1.898 319 3HG2 ILE 44 3HG2 ILE 44 -3.910 -7.207 -1.324 320 1HD1 ILE 44 1HD1 ILE 44 -4.593 -4.410 -4.882 321 2HD1 ILE 44 2HD1 ILE 44 -4.438 -6.070 -5.505 322 3HD1 ILE 44 3HD1 ILE 44 -5.045 -5.791 -3.855 323 H CYS 45 H CYS 45 -0.065 -9.274 -2.819 324 HA CYS 45 HA CYS 45 0.617 -9.062 -5.656 325 1HB CYS 45 1HB CYS 45 2.205 -11.046 -4.823 326 2HB CYS 45 2HB CYS 45 2.664 -9.355 -4.792 327 H GLU 46 H GLU 46 -0.659 -10.310 -6.976 328 HA GLU 46 HA GLU 46 -2.517 -12.084 -5.960 329 1HB GLU 46 1HB GLU 46 -1.831 -10.965 -8.486 330 2HB GLU 46 2HB GLU 46 -1.832 -12.702 -8.722 331 1HG GLU 46 1HG GLU 46 -4.104 -12.918 -8.236 332 2HG GLU 46 2HG GLU 46 -4.116 -11.548 -7.143 333 HE2 GLU 46 HE GLU 46 -4.801 -9.303 -8.630 334 H ASP 47 H ASP 47 -2.681 -14.485 -6.534 335 HA ASP 47 HA ASP 47 -0.019 -15.667 -6.389 336 1HB ASP 47 1HB ASP 47 -1.517 -15.751 -4.266 337 2HB ASP 47 2HB ASP 47 -2.545 -16.850 -5.163 338 HD2 ASP 47 HD ASP 47 -1.202 -19.463 -4.808 339 H VAL 48 H VAL 48 -0.425 -18.277 -6.881 340 HA VAL 48 HA VAL 48 -2.537 -18.881 -8.653 341 HB VAL 48 HB VAL 48 -0.786 -17.307 -9.895 342 1HG1 VAL 48 1HG1 VAL 48 1.182 -18.650 -9.508 343 2HG1 VAL 48 2HG1 VAL 48 0.387 -20.091 -10.184 344 3HG1 VAL 48 3HG1 VAL 48 0.781 -18.714 -11.241 345 1HG2 VAL 48 1HG2 VAL 48 -1.649 -18.100 -11.950 346 2HG2 VAL 48 2HG2 VAL 48 -1.853 -19.753 -11.322 347 3HG2 VAL 48 3HG2 VAL 48 -2.912 -18.444 -10.743 348 H LYS 49 H LYS 49 -1.927 -21.094 -9.831 349 HA LYS 49 HA LYS 49 -0.207 -22.608 -7.998 350 1HB LYS 49 1HB LYS 49 -3.011 -23.261 -8.919 351 2HB LYS 49 2HB LYS 49 -1.912 -24.493 -8.331 352 1HG LYS 49 1HG LYS 49 -2.135 -23.823 -6.156 353 2HG LYS 49 2HG LYS 49 -1.980 -22.127 -6.566 354 1HD LYS 49 1HD LYS 49 -4.319 -21.945 -7.144 355 2HD LYS 49 2HD LYS 49 -4.528 -23.684 -7.163 356 1HE LYS 49 1HE LYS 49 -3.615 -23.335 -4.592 357 2HE LYS 49 2HE LYS 49 -4.441 -21.809 -4.837 358 1HZ LYS 49 1HZ LYS 49 -6.045 -23.359 -4.035 359 2HZ LYS 49 2HZ LYS 49 -6.396 -23.179 -5.615 360 H ASP 50 H ASP 50 -1.795 -22.353 -11.226 361 HA ASP 50 HA ASP 50 -0.782 -24.417 -12.522 362 1HB ASP 50 1HB ASP 50 -1.745 -21.822 -13.206 363 2HB ASP 50 2HB ASP 50 -0.257 -22.019 -14.110 364 HD2 ASP 50 HD ASP 50 -1.550 -24.833 -15.847 365 H CYS 51 H CYS 51 0.978 -21.629 -11.206 366 HA CYS 51 HA CYS 51 3.274 -21.705 -12.726 367 1HB CYS 51 1HB CYS 51 4.173 -20.274 -11.203 368 2HB CYS 51 2HB CYS 51 2.466 -20.072 -10.859 369 H LEU 52 H LEU 52 5.388 -22.193 -10.814 370 HA LEU 52 HA LEU 52 5.136 -25.107 -10.545 371 1HB LEU 52 1HB LEU 52 7.194 -23.367 -11.672 372 2HB LEU 52 2HB LEU 52 7.831 -24.499 -10.496 373 HG LEU 52 HG LEU 52 6.157 -26.064 -12.092 374 1HD1 LEU 52 1HD1 LEU 52 7.791 -24.254 -13.891 375 2HD1 LEU 52 2HD1 LEU 52 6.769 -25.628 -14.379 376 3HD1 LEU 52 3HD1 LEU 52 6.024 -24.166 -13.689 377 1HD2 LEU 52 1HD2 LEU 52 8.137 -27.209 -12.695 378 2HD2 LEU 52 2HD2 LEU 52 9.138 -25.753 -12.482 379 3HD2 LEU 52 3HD2 LEU 52 8.420 -26.555 -11.065 380 H SER 53 H SER 53 6.879 -22.244 -9.131 381 HA SER 53 HA SER 53 6.148 -23.285 -6.533 382 1HB SER 53 1HB SER 53 8.544 -22.746 -5.747 383 2HB SER 53 2HB SER 53 8.326 -24.214 -6.677 384 HG SER 53 HG SER 53 10.132 -22.539 -7.242 385 HA PRO 54 HA PRO 54 5.595 -19.032 -5.796 386 1HB PRO 54 1HB PRO 54 5.629 -18.933 -3.065 387 2HB PRO 54 2HB PRO 54 4.228 -19.438 -3.988 388 1HG PRO 54 1HG PRO 54 6.127 -21.096 -2.444 389 2HG PRO 54 2HG PRO 54 4.519 -21.505 -3.006 390 1HD PRO 54 1HD PRO 54 7.006 -22.365 -4.148 391 2HD PRO 54 2HD PRO 54 5.401 -22.678 -4.777 392 H GLU 55 H GLU 55 6.694 -17.145 -5.866 393 HA GLU 55 HA GLU 55 9.079 -17.005 -4.311 394 1HB GLU 55 1HB GLU 55 9.194 -17.771 -7.126 395 2HB GLU 55 2HB GLU 55 10.026 -16.249 -6.875 396 1HG GLU 55 1HG GLU 55 10.619 -18.231 -4.761 397 2HG GLU 55 2HG GLU 55 11.074 -18.792 -6.357 398 HE2 GLU 55 HE GLU 55 13.402 -18.087 -4.881 399 H ILE 56 H ILE 56 9.644 -14.846 -3.863 400 HA ILE 56 HA ILE 56 7.648 -12.925 -4.480 401 HB ILE 56 HB ILE 56 9.588 -13.303 -2.529 402 1HG1 ILE 56 1HG1 ILE 56 8.130 -10.696 -2.748 403 2HG1 ILE 56 2HG1 ILE 56 7.191 -12.172 -2.652 404 1HG2 ILE 56 1HG2 ILE 56 11.304 -12.213 -3.798 405 2HG2 ILE 56 2HG2 ILE 56 10.231 -10.843 -4.172 406 3HG2 ILE 56 3HG2 ILE 56 10.782 -11.111 -2.501 407 1HD1 ILE 56 1HD1 ILE 56 7.520 -11.394 -0.388 408 2HD1 ILE 56 2HD1 ILE 56 8.568 -12.817 -0.600 409 3HD1 ILE 56 3HD1 ILE 56 9.267 -11.181 -0.652 410 HA PRO 57 HA PRO 57 9.537 -11.773 -8.256 411 1HB PRO 57 1HB PRO 57 7.495 -10.208 -9.176 412 2HB PRO 57 2HB PRO 57 7.560 -11.940 -9.425 413 1HG PRO 57 1HG PRO 57 5.878 -10.401 -7.544 414 2HG PRO 57 2HG PRO 57 5.669 -12.047 -8.109 415 1HD PRO 57 1HD PRO 57 6.675 -11.225 -5.551 416 2HD PRO 57 2HD PRO 57 6.574 -12.865 -6.159 417 H PHE 58 H PHE 58 11.210 -10.431 -8.398 418 HA PHE 58 HA PHE 58 12.457 -8.696 -7.714 419 1HB PHE 58 1HB PHE 58 10.988 -8.113 -9.815 420 2HB PHE 58 2HB PHE 58 9.985 -7.178 -8.724 421 HD1 PHE 58 1HD PHE 58 13.548 -7.519 -9.774 422 HD2 PHE 58 2HD PHE 58 10.476 -4.941 -8.388 423 HE1 PHE 58 1HE PHE 58 15.074 -5.546 -10.063 424 HE2 PHE 58 2HE PHE 58 12.002 -2.968 -8.676 425 HZ PHE 58 HZ PHE 58 14.282 -3.294 -9.510 426 H GLY 59 H GLY 59 11.034 -9.629 -5.449 427 1HA GLY 59 1HA GLY 59 10.446 -9.000 -3.375 428 2HA GLY 59 2HA GLY 59 11.258 -7.480 -3.697 429 H GLU 60 H GLU 60 8.341 -8.789 -2.773 430 HA GLU 60 HA GLU 60 6.968 -6.403 -3.698 431 1HB GLU 60 1HB GLU 60 5.786 -9.215 -3.758 432 2HB GLU 60 2HB GLU 60 4.905 -7.744 -4.119 433 1HG GLU 60 1HG GLU 60 7.401 -7.913 -5.670 434 2HG GLU 60 2HG GLU 60 6.380 -9.311 -5.945 435 HE2 GLU 60 HE GLU 60 6.600 -5.950 -6.261 436 H CYS 61 H CYS 61 6.134 -9.380 -1.777 437 HA CYS 61 HA CYS 61 6.390 -8.196 0.705 438 1HB CYS 61 1HB CYS 61 4.416 -6.851 -0.371 439 2HB CYS 61 2HB CYS 61 3.473 -8.276 0.017 440 H CYS 62 H CYS 62 4.582 -10.383 -1.500 441 HA CYS 62 HA CYS 62 4.791 -12.445 0.572 442 1HB CYS 62 1HB CYS 62 2.769 -13.451 -0.221 443 2HB CYS 62 2HB CYS 62 2.461 -11.777 0.196 444 HA PRO 63 HA PRO 63 7.283 -14.153 -2.631 445 1HB PRO 63 1HB PRO 63 8.256 -16.283 -1.222 446 2HB PRO 63 2HB PRO 63 8.977 -14.687 -1.165 447 1HG PRO 63 1HG PRO 63 7.307 -16.039 0.864 448 2HG PRO 63 2HG PRO 63 8.370 -14.660 1.060 449 1HD PRO 63 1HD PRO 63 5.506 -14.611 0.896 450 2HD PRO 63 2HD PRO 63 6.576 -13.225 0.976 451 H ILE 64 H ILE 64 5.149 -14.445 -3.736 452 HA ILE 64 HA ILE 64 4.736 -17.343 -3.900 453 HB ILE 64 HB ILE 64 2.489 -17.219 -3.672 454 1HG1 ILE 64 1HG1 ILE 64 2.669 -14.379 -4.688 455 2HG1 ILE 64 2HG1 ILE 64 1.935 -15.767 -5.465 456 1HG2 ILE 64 1HG2 ILE 64 1.895 -15.745 -1.802 457 2HG2 ILE 64 2HG2 ILE 64 3.471 -16.535 -1.550 458 3HG2 ILE 64 3HG2 ILE 64 3.401 -14.827 -2.048 459 1HD1 ILE 64 1HD1 ILE 64 0.369 -15.861 -3.367 460 2HD1 ILE 64 2HD1 ILE 64 0.932 -14.200 -3.070 461 3HD1 ILE 64 3HD1 ILE 64 0.080 -14.594 -4.582 462 H CYS 65 H CYS 65 3.455 -17.855 -6.024 463 HA CYS 65 HA CYS 65 4.819 -16.346 -8.103 464 1HB CYS 65 1HB CYS 65 4.140 -18.267 -9.557 465 2HB CYS 65 2HB CYS 65 5.262 -18.649 -8.266 466 HA PRO 66 HA PRO 66 0.876 -14.525 -8.845 467 1HB PRO 66 1HB PRO 66 1.685 -12.688 -10.699 468 2HB PRO 66 2HB PRO 66 1.762 -12.404 -8.971 469 1HG PRO 66 1HG PRO 66 3.960 -13.026 -10.848 470 2HG PRO 66 2HG PRO 66 4.052 -12.332 -9.241 471 1HD PRO 66 1HD PRO 66 4.653 -15.037 -9.978 472 2HD PRO 66 2HD PRO 66 4.631 -14.373 -8.357 473 H ALA 67 H ALA 67 -0.369 -13.744 -10.990 474 HA ALA 67 HA ALA 67 0.044 -15.971 -12.866 475 1HB ALA 67 1HB ALA 67 -2.325 -16.260 -13.024 476 2HB ALA 67 2HB ALA 67 -1.951 -16.188 -11.285 477 3HB ALA 67 3HB ALA 67 -2.641 -14.768 -12.107 478 H ASP 68 H ASP 68 1.417 -13.609 -13.251 479 HA ASP 68 HA ASP 68 -0.269 -12.111 -15.082 480 1HB ASP 68 1HB ASP 68 1.167 -11.015 -13.198 481 2HB ASP 68 2HB ASP 68 2.556 -11.401 -14.195 482 HD2 ASP 68 HD ASP 68 2.056 -8.179 -15.338 483 H LEU 69 H LEU 69 2.790 -13.973 -14.694 484 HA LEU 69 HA LEU 69 3.034 -14.013 -17.623 485 1HB LEU 69 1HB LEU 69 5.380 -14.013 -17.451 486 2HB LEU 69 2HB LEU 69 4.788 -12.684 -16.475 487 HG LEU 69 HG LEU 69 4.977 -14.495 -14.527 488 1HD1 LEU 69 1HD1 LEU 69 5.782 -16.149 -16.407 489 2HD1 LEU 69 2HD1 LEU 69 7.352 -15.358 -16.130 490 3HD1 LEU 69 3HD1 LEU 69 6.517 -16.174 -14.787 491 1HD2 LEU 69 1HD2 LEU 69 7.498 -13.681 -14.391 492 2HD2 LEU 69 2HD2 LEU 69 6.959 -12.593 -15.693 493 3HD2 LEU 69 3HD2 LEU 69 6.133 -12.572 -14.116 494 H ALA 70 H ALA 70 2.895 -15.991 -18.560 495 HA ALA 70 HA ALA 70 3.939 -18.323 -17.603 496 1HB ALA 70 1HB ALA 70 1.274 -17.646 -16.411 497 2HB ALA 70 2HB ALA 70 1.553 -19.330 -16.916 498 3HB ALA 70 3HB ALA 70 2.631 -18.568 -15.722 499 H ALA 71 H ALA 71 2.888 -20.295 -18.760 500 HA ALA 71 HA ALA 71 2.330 -21.209 -20.698 501 1HB ALA 71 1HB ALA 71 0.223 -20.275 -21.778 502 2HB ALA 71 2HB ALA 71 0.075 -20.705 -20.057 503 3HB ALA 71 3HB ALA 71 0.251 -18.999 -20.536 504 H ALA 72 H ALA 72 4.111 -20.988 -22.023 505 HA ALA 72 HA ALA 72 4.609 -18.435 -23.281 506 1HB ALA 72 1HB ALA 72 6.621 -19.400 -22.712 507 2HB ALA 72 2HB ALA 72 6.017 -21.058 -22.945 508 3HB ALA 72 3HB ALA 72 6.449 -20.063 -24.355 509 H ALA 73 H ALA 73 3.264 -17.891 -24.941 510 HA ALA 73 HA ALA 73 1.879 -19.779 -26.479 511 1HB ALA 73 1HB ALA 73 1.328 -17.808 -27.880 512 2HB ALA 73 2HB ALA 73 1.139 -17.459 -26.144 513 3HB ALA 73 3HB ALA 73 2.567 -16.862 -27.022 Start of MODEL 18 1 1H TYR 1 H TYR 1 -17.920 23.972 4.965 2 HA TYR 1 HA TYR 1 -16.223 25.465 5.116 3 1HB TYR 1 1HB TYR 1 -17.440 24.760 7.809 4 2HB TYR 1 2HB TYR 1 -16.081 25.865 7.841 5 HD1 TYR 1 1HD TYR 1 -19.474 25.385 6.366 6 HD2 TYR 1 2HD TYR 1 -16.375 28.160 7.364 7 HE1 TYR 1 1HE TYR 1 -21.028 27.324 5.830 8 HE2 TYR 1 2HE TYR 1 -17.940 30.090 6.825 9 HH TYR 1 HH TYR 1 -19.887 30.508 5.494 10 H VAL 2 H VAL 2 -14.215 24.734 4.461 11 HA VAL 2 HA VAL 2 -12.299 24.280 6.486 12 HB VAL 2 HB VAL 2 -13.393 22.069 6.465 13 1HG1 VAL 2 1HG1 VAL 2 -13.920 22.257 3.933 14 2HG1 VAL 2 2HG1 VAL 2 -12.279 21.608 3.700 15 3HG1 VAL 2 3HG1 VAL 2 -13.491 20.663 4.600 16 1HG2 VAL 2 1HG2 VAL 2 -10.643 21.766 5.258 17 2HG2 VAL 2 2HG2 VAL 2 -10.877 22.499 6.863 18 3HG2 VAL 2 3HG2 VAL 2 -11.409 20.826 6.562 19 H GLU 3 H GLU 3 -10.289 24.866 5.713 20 HA GLU 3 HA GLU 3 -9.524 24.511 3.073 21 1HB GLU 3 1HB GLU 3 -11.313 26.391 2.876 22 2HB GLU 3 2HB GLU 3 -10.136 27.431 3.653 23 1HG GLU 3 1HG GLU 3 -8.560 26.268 1.719 24 2HG GLU 3 2HG GLU 3 -10.112 26.261 0.904 25 HE2 GLU 3 HE GLU 3 -8.272 29.740 1.592 26 H PHE 4 H PHE 4 -7.502 23.906 3.817 27 HA PHE 4 HA PHE 4 -5.908 26.042 4.968 28 1HB PHE 4 1HB PHE 4 -6.266 23.200 6.098 29 2HB PHE 4 2HB PHE 4 -5.073 24.340 6.689 30 HD1 PHE 4 1HD PHE 4 -5.741 26.259 8.034 31 HD2 PHE 4 2HD PHE 4 -8.621 23.477 6.627 32 HE1 PHE 4 1HE PHE 4 -7.421 27.173 9.660 33 HE2 PHE 4 2HE PHE 4 -10.299 24.391 8.253 34 HZ PHE 4 HZ PHE 4 -9.679 26.228 9.751 35 H GLN 5 H GLN 5 -3.882 26.091 4.074 36 HA GLN 5 HA GLN 5 -2.192 25.561 2.819 37 1HB GLN 5 1HB GLN 5 -2.712 23.118 4.375 38 2HB GLN 5 2HB GLN 5 -1.892 22.769 2.866 39 1HG GLN 5 1HG GLN 5 -0.021 23.273 4.115 40 2HG GLN 5 2HG GLN 5 -0.413 24.910 3.623 41 1HE2 GLN 5 1HE2 GLN 5 -1.725 26.218 5.037 42 2HE2 GLN 5 2HE2 GLN 5 -1.645 26.009 6.755 43 H GLU 6 H GLU 6 -1.467 24.442 0.740 44 HA GLU 6 HA GLU 6 -3.826 23.577 -0.743 45 1HB GLU 6 1HB GLU 6 -2.378 25.926 -1.173 46 2HB GLU 6 2HB GLU 6 -1.697 24.832 -2.360 47 1HG GLU 6 1HG GLU 6 -4.531 24.421 -2.417 48 2HG GLU 6 2HG GLU 6 -4.283 26.156 -2.383 49 HE2 GLU 6 HE GLU 6 -3.404 26.995 -4.608 50 H ALA 7 H ALA 7 -3.626 21.657 -1.869 51 HA ALA 7 HA ALA 7 -1.606 19.901 -1.316 52 1HB ALA 7 1HB ALA 7 -2.911 19.681 -3.988 53 2HB ALA 7 2HB ALA 7 -2.792 18.490 -2.671 54 3HB ALA 7 3HB ALA 7 -4.000 19.794 -2.584 55 H GLY 8 H GLY 8 0.536 20.433 -1.563 56 1HA GLY 8 1HA GLY 8 1.374 21.178 -4.299 57 2HA GLY 8 2HA GLY 8 2.017 21.979 -2.878 58 H SER 9 H SER 9 1.635 18.726 -4.414 59 HA SER 9 HA SER 9 2.916 16.976 -4.456 60 1HB SER 9 1HB SER 9 4.785 19.191 -4.330 61 2HB SER 9 2HB SER 9 5.460 17.827 -3.459 62 HG SER 9 HG SER 9 5.511 18.162 -6.067 63 H CYS 10 H CYS 10 4.464 15.508 -2.991 64 HA CYS 10 HA CYS 10 3.509 15.864 -0.247 65 1HB CYS 10 1HB CYS 10 4.036 13.418 -1.910 66 2HB CYS 10 2HB CYS 10 4.105 13.329 -0.161 67 H VAL 11 H VAL 11 5.052 15.716 1.461 68 HA VAL 11 HA VAL 11 7.820 15.943 0.546 69 HB VAL 11 HB VAL 11 6.395 16.767 3.078 70 1HG1 VAL 11 1HG1 VAL 11 9.344 16.776 2.398 71 2HG1 VAL 11 2HG1 VAL 11 8.643 17.869 3.616 72 3HG1 VAL 11 3HG1 VAL 11 8.536 16.105 3.835 73 1HG2 VAL 11 1HG2 VAL 11 7.696 18.961 1.966 74 2HG2 VAL 11 2HG2 VAL 11 7.049 18.087 0.556 75 3HG2 VAL 11 3HG2 VAL 11 5.956 18.597 1.865 76 H GLN 12 H GLN 12 8.959 14.077 0.560 77 HA GLN 12 HA GLN 12 8.540 12.356 2.870 78 1HB GLN 12 1HB GLN 12 7.698 11.682 0.316 79 2HB GLN 12 2HB GLN 12 9.290 10.950 0.367 80 1HG GLN 12 1HG GLN 12 7.550 10.559 2.786 81 2HG GLN 12 2HG GLN 12 7.067 9.715 1.328 82 1HE2 GLN 12 1HE2 GLN 12 7.516 7.737 2.302 83 2HE2 GLN 12 2HE2 GLN 12 9.127 7.129 2.495 84 H ASP 13 H ASP 13 10.420 12.755 4.002 85 HA ASP 13 HA ASP 13 12.531 12.594 4.506 86 1HB ASP 13 1HB ASP 13 12.358 10.692 2.551 87 2HB ASP 13 2HB ASP 13 13.488 11.786 1.778 88 HD2 ASP 13 HD ASP 13 15.917 11.717 3.625 89 H GLY 14 H GLY 14 11.130 14.676 2.447 90 1HA GLY 14 1HA GLY 14 11.882 16.878 2.173 91 2HA GLY 14 2HA GLY 14 13.545 16.324 2.168 92 H GLN 15 H GLN 15 11.100 14.520 0.338 93 HA GLN 15 HA GLN 15 12.215 15.698 -2.089 94 1HB GLN 15 1HB GLN 15 11.748 12.833 -1.309 95 2HB GLN 15 2HB GLN 15 11.478 13.263 -2.987 96 1HG GLN 15 1HG GLN 15 13.986 14.385 -1.848 97 2HG GLN 15 2HG GLN 15 13.945 12.632 -1.880 98 1HE2 GLN 15 1HE2 GLN 15 14.630 11.700 -3.642 99 2HE2 GLN 15 2HE2 GLN 15 14.663 12.364 -5.241 100 H ARG 16 H ARG 16 10.718 16.765 -3.305 101 HA ARG 16 HA ARG 16 7.977 16.442 -2.608 102 1HB ARG 16 1HB ARG 16 9.503 18.242 -4.531 103 2HB ARG 16 2HB ARG 16 7.751 18.204 -4.554 104 1HG ARG 16 1HG ARG 16 7.620 18.922 -2.230 105 2HG ARG 16 2HG ARG 16 9.343 18.702 -2.001 106 1HD ARG 16 1HD ARG 16 9.899 20.644 -3.199 107 2HD ARG 16 2HD ARG 16 8.455 20.580 -4.189 108 HE ARG 16 HE ARG 16 7.298 21.793 -2.552 109 1HH1 ARG 16 2HH2 ARG 16 10.285 20.518 -1.138 110 2HH1 ARG 16 1HH2 ARG 16 10.112 21.406 0.339 111 1HH2 ARG 16 1HH ARG 16 8.212 22.837 0.631 112 H TYR 17 H TYR 17 6.579 15.028 -3.615 113 HA TYR 17 HA TYR 17 7.326 14.128 -6.317 114 1HB TYR 17 1HB TYR 17 6.040 12.769 -3.873 115 2HB TYR 17 2HB TYR 17 6.013 12.023 -5.458 116 HD1 TYR 17 1HD TYR 17 8.154 11.292 -6.534 117 HD2 TYR 17 2HD TYR 17 8.016 12.727 -2.505 118 HE1 TYR 17 1HE TYR 17 10.432 10.257 -6.079 119 HE2 TYR 17 2HE TYR 17 10.294 11.687 -2.065 120 HH TYR 17 HH TYR 17 12.173 10.292 -4.672 121 H ASN 18 H ASN 18 5.683 13.984 -7.870 122 HA ASN 18 HA ASN 18 3.653 15.756 -7.720 123 1HB ASN 18 1HB ASN 18 4.623 14.105 -9.663 124 2HB ASN 18 2HB ASN 18 3.151 13.232 -9.291 125 1HD2 ASN 18 1HD2 ASN 18 3.567 14.342 -11.750 126 2HD2 ASN 18 2HD2 ASN 18 2.485 15.667 -12.026 127 H ASP 19 H ASP 19 1.172 14.699 -8.273 128 HA ASP 19 HA ASP 19 0.398 13.695 -5.750 129 1HB ASP 19 1HB ASP 19 -1.164 14.062 -8.350 130 2HB ASP 19 2HB ASP 19 -1.900 13.670 -6.807 131 HD2 ASP 19 HD ASP 19 -2.904 16.403 -7.229 132 H LYS 20 H LYS 20 -0.281 12.517 -9.140 133 HA LYS 20 HA LYS 20 -0.918 9.915 -8.316 134 1HB LYS 20 1HB LYS 20 -0.876 11.447 -10.737 135 2HB LYS 20 2HB LYS 20 -0.062 9.924 -11.038 136 1HG LYS 20 1HG LYS 20 -2.042 8.746 -9.924 137 2HG LYS 20 2HG LYS 20 -2.860 10.295 -9.872 138 1HD LYS 20 1HD LYS 20 -1.863 9.966 -12.547 139 2HD LYS 20 2HD LYS 20 -2.619 8.451 -12.096 140 1HE LYS 20 1HE LYS 20 -4.539 10.098 -11.162 141 2HE LYS 20 2HE LYS 20 -3.855 11.191 -12.349 142 1HZ LYS 20 1HZ LYS 20 -4.130 8.678 -13.565 143 2HZ LYS 20 2HZ LYS 20 -5.545 9.001 -12.825 144 H ASP 21 H ASP 21 2.078 11.573 -8.473 145 HA ASP 21 HA ASP 21 3.804 9.709 -9.407 146 1HB ASP 21 1HB ASP 21 3.890 12.045 -7.655 147 2HB ASP 21 2HB ASP 21 5.018 10.833 -7.081 148 HD2 ASP 21 HD ASP 21 5.773 9.892 -9.679 149 H VAL 22 H VAL 22 3.680 7.518 -8.811 150 HA VAL 22 HA VAL 22 3.245 6.914 -5.984 151 HB VAL 22 HB VAL 22 3.136 5.172 -8.455 152 1HG1 VAL 22 1HG1 VAL 22 2.648 4.604 -5.528 153 2HG1 VAL 22 2HG1 VAL 22 1.892 3.628 -6.809 154 3HG1 VAL 22 3HG1 VAL 22 3.665 3.716 -6.689 155 1HG2 VAL 22 1HG2 VAL 22 1.131 6.104 -8.786 156 2HG2 VAL 22 2HG2 VAL 22 0.601 5.309 -7.285 157 3HG2 VAL 22 3HG2 VAL 22 1.207 6.983 -7.241 158 H TRP 23 H TRP 23 4.763 5.815 -4.740 159 HA TRP 23 HA TRP 23 7.193 4.926 -6.077 160 1HB TRP 23 1HB TRP 23 8.665 6.178 -4.725 161 2HB TRP 23 2HB TRP 23 7.536 7.308 -5.447 162 HD1 TRP 23 HD TRP 23 8.423 5.785 -2.014 163 HE1 TRP 23 1HE TRP 23 7.388 7.204 -0.045 164 HE3 TRP 23 3HE TRP 23 5.648 8.846 -4.977 165 HZ2 TRP 23 2HZ TRP 23 5.566 9.399 0.050 166 HZ3 TRP 23 3HZ TRP 23 4.268 10.600 -3.867 167 HH2 TRP 23 HH TRP 23 4.200 10.903 -1.442 168 H LYS 24 H LYS 24 8.280 3.270 -4.849 169 HA LYS 24 HA LYS 24 6.622 2.238 -2.659 170 1HB LYS 24 1HB LYS 24 6.638 0.758 -4.567 171 2HB LYS 24 2HB LYS 24 8.386 0.809 -4.665 172 1HG LYS 24 1HG LYS 24 7.187 -0.041 -2.039 173 2HG LYS 24 2HG LYS 24 7.062 -1.169 -3.373 174 1HD LYS 24 1HD LYS 24 9.752 -0.080 -3.321 175 2HD LYS 24 2HD LYS 24 9.344 -0.648 -1.714 176 1HE LYS 24 1HE LYS 24 10.010 -2.686 -2.544 177 2HE LYS 24 2HE LYS 24 8.378 -2.743 -3.178 178 1HZ LYS 24 1HZ LYS 24 10.372 -1.380 -4.827 179 2HZ LYS 24 2HZ LYS 24 10.484 -3.003 -4.745 180 HA PRO 25 HA PRO 25 10.232 3.452 -0.425 181 1HB PRO 25 1HB PRO 25 9.014 3.696 2.008 182 2HB PRO 25 2HB PRO 25 9.125 5.011 0.856 183 1HG PRO 25 1HG PRO 25 6.784 3.341 1.544 184 2HG PRO 25 2HG PRO 25 6.824 4.897 0.737 185 1HD PRO 25 1HD PRO 25 6.415 2.337 -0.491 186 2HD PRO 25 2HD PRO 25 6.571 3.880 -1.309 187 H GLU 26 H GLU 26 7.934 0.980 0.474 188 HA GLU 26 HA GLU 26 10.246 -0.558 1.352 189 1HB GLU 26 1HB GLU 26 7.538 -0.328 2.724 190 2HB GLU 26 2HB GLU 26 8.668 -1.620 3.076 191 1HG GLU 26 1HG GLU 26 10.356 -0.055 3.856 192 2HG GLU 26 2HG GLU 26 9.458 1.320 3.244 193 HE2 GLU 26 HE GLU 26 9.119 1.070 6.733 194 HA PRO 27 HA PRO 27 8.583 -3.545 -1.326 195 1HB PRO 27 1HB PRO 27 9.894 -5.788 -0.474 196 2HB PRO 27 2HB PRO 27 10.621 -4.597 -1.535 197 1HG PRO 27 1HG PRO 27 11.106 -5.056 1.345 198 2HG PRO 27 2HG PRO 27 12.098 -4.188 0.189 199 1HD PRO 27 1HD PRO 27 10.385 -3.040 2.183 200 2HD PRO 27 2HD PRO 27 11.286 -2.177 0.953 201 H CYS 28 H CYS 28 6.678 -2.830 0.389 202 HA CYS 28 HA CYS 28 5.204 -5.218 0.537 203 1HB CYS 28 1HB CYS 28 6.876 -4.835 2.747 204 2HB CYS 28 2HB CYS 28 5.298 -4.297 3.289 205 H ARG 29 H ARG 29 5.839 -1.834 1.537 206 HA ARG 29 HA ARG 29 2.986 -1.357 1.199 207 1HB ARG 29 1HB ARG 29 4.723 -0.744 3.457 208 2HB ARG 29 2HB ARG 29 4.124 0.755 2.775 209 1HG ARG 29 1HG ARG 29 2.396 0.229 4.261 210 2HG ARG 29 2HG ARG 29 1.780 -0.475 2.780 211 1HD ARG 29 1HD ARG 29 3.523 -2.196 4.548 212 2HD ARG 29 2HD ARG 29 1.877 -1.887 5.066 213 HE ARG 29 HE ARG 29 2.050 -2.710 2.262 214 1HH1 ARG 29 2HH2 ARG 29 1.854 -3.883 5.600 215 2HH1 ARG 29 1HH2 ARG 29 1.194 -5.421 5.151 216 1HH2 ARG 29 1HH ARG 29 0.806 -5.902 2.835 217 H ILE 30 H ILE 30 2.448 0.268 -0.277 218 HA ILE 30 HA ILE 30 4.710 1.821 -1.328 219 HB ILE 30 HB ILE 30 3.365 1.883 -3.448 220 1HG1 ILE 30 1HG1 ILE 30 1.935 -0.596 -2.828 221 2HG1 ILE 30 2HG1 ILE 30 1.361 0.765 -1.884 222 1HG2 ILE 30 1HG2 ILE 30 3.987 -0.979 -2.985 223 2HG2 ILE 30 2HG2 ILE 30 4.550 0.137 -4.252 224 3HG2 ILE 30 3HG2 ILE 30 5.287 0.184 -2.633 225 1HD1 ILE 30 1HD1 ILE 30 1.433 0.449 -4.896 226 2HD1 ILE 30 2HD1 ILE 30 0.072 0.921 -3.853 227 3HD1 ILE 30 3HD1 ILE 30 1.391 2.072 -4.168 228 H CYS 31 H CYS 31 4.549 4.024 -1.295 229 HA CYS 31 HA CYS 31 2.032 5.057 -0.230 230 1HB CYS 31 1HB CYS 31 4.858 5.692 0.221 231 2HB CYS 31 2HB CYS 31 3.869 7.109 -0.069 232 H VAL 32 H VAL 32 0.901 6.665 -1.395 233 HA VAL 32 HA VAL 32 2.169 7.662 -3.829 234 HB VAL 32 HB VAL 32 1.011 5.836 -4.703 235 1HG1 VAL 32 1HG1 VAL 32 -1.372 5.320 -4.135 236 2HG1 VAL 32 2HG1 VAL 32 -0.244 5.120 -2.773 237 3HG1 VAL 32 3HG1 VAL 32 -1.289 6.558 -2.859 238 1HG2 VAL 32 1HG2 VAL 32 -0.485 6.810 -6.194 239 2HG2 VAL 32 2HG2 VAL 32 -1.156 7.911 -4.967 240 3HG2 VAL 32 3HG2 VAL 32 0.466 8.209 -5.640 241 H CYS 33 H CYS 33 1.839 9.827 -4.084 242 HA CYS 33 HA CYS 33 0.437 11.194 -2.044 243 1HB CYS 33 1HB CYS 33 2.512 11.966 -3.289 244 2HB CYS 33 2HB CYS 33 1.461 12.360 -4.635 245 H ASP 34 H ASP 34 -1.568 9.689 -2.725 246 HA ASP 34 HA ASP 34 -2.934 10.456 -5.054 247 1HB ASP 34 1HB ASP 34 -3.276 8.268 -3.942 248 2HB ASP 34 2HB ASP 34 -3.881 9.067 -2.503 249 HD2 ASP 34 HD ASP 34 -6.091 10.736 -4.086 250 H THR 35 H THR 35 -4.244 12.276 -5.329 251 HA THR 35 HA THR 35 -5.396 14.123 -4.876 252 HB THR 35 HB THR 35 -6.098 12.492 -2.381 253 HG1 THR 35 1HG THR 35 -7.816 11.890 -3.795 254 1HG2 THR 35 1HG2 THR 35 -6.923 14.621 -1.765 255 2HG2 THR 35 2HG2 THR 35 -7.116 15.139 -3.456 256 3HG2 THR 35 3HG2 THR 35 -8.275 13.995 -2.738 257 H GLY 36 H GLY 36 -2.534 13.880 -4.105 258 1HA GLY 36 1HA GLY 36 -1.105 15.499 -3.352 259 2HA GLY 36 2HA GLY 36 -2.429 16.327 -2.558 260 H THR 37 H THR 37 -2.979 13.238 -1.595 261 HA THR 37 HA THR 37 -1.319 13.586 0.808 262 HB THR 37 HB THR 37 -4.035 12.302 0.256 263 HG1 THR 37 1HG THR 37 -2.858 14.384 1.956 264 1HG2 THR 37 1HG2 THR 37 -2.230 12.153 2.718 265 2HG2 THR 37 2HG2 THR 37 -3.998 11.974 2.821 266 3HG2 THR 37 3HG2 THR 37 -3.039 10.806 1.883 267 H VAL 38 H VAL 38 0.232 12.160 1.330 268 HA VAL 38 HA VAL 38 0.592 9.941 -0.515 269 HB VAL 38 HB VAL 38 2.508 11.269 -0.242 270 1HG1 VAL 38 1HG1 VAL 38 2.160 12.618 1.623 271 2HG1 VAL 38 2HG1 VAL 38 1.820 11.234 2.691 272 3HG1 VAL 38 3HG1 VAL 38 3.487 11.559 2.158 273 1HG2 VAL 38 1HG2 VAL 38 4.015 9.683 1.258 274 2HG2 VAL 38 2HG2 VAL 38 2.564 8.653 1.216 275 3HG2 VAL 38 3HG2 VAL 38 3.358 9.135 -0.303 276 H LEU 39 H LEU 39 -0.714 8.231 0.024 277 HA LEU 39 HA LEU 39 -0.659 7.427 2.849 278 1HB LEU 39 1HB LEU 39 -2.830 6.827 2.752 279 2HB LEU 39 2HB LEU 39 -2.846 8.153 1.605 280 HG LEU 39 HG LEU 39 -2.599 5.244 0.801 281 1HD1 LEU 39 1HD1 LEU 39 -5.114 6.901 0.610 282 2HD1 LEU 39 2HD1 LEU 39 -4.912 5.145 0.395 283 3HD1 LEU 39 3HD1 LEU 39 -4.753 5.867 2.014 284 1HD2 LEU 39 1HD2 LEU 39 -3.291 6.113 -1.428 285 2HD2 LEU 39 2HD2 LEU 39 -3.136 7.766 -0.787 286 3HD2 LEU 39 3HD2 LEU 39 -1.706 6.710 -0.879 287 H CYS 40 H CYS 40 -0.153 5.277 3.367 288 HA CYS 40 HA CYS 40 1.143 3.866 1.173 289 1HB CYS 40 1HB CYS 40 1.537 3.989 4.119 290 2HB CYS 40 2HB CYS 40 1.872 2.457 3.337 291 H ASP 41 H ASP 41 0.245 1.977 0.372 292 HA ASP 41 HA ASP 41 -2.022 0.942 1.886 293 1HB ASP 41 1HB ASP 41 -1.419 1.048 -1.093 294 2HB ASP 41 2HB ASP 41 -2.608 -0.070 -0.458 295 HD2 ASP 41 HD ASP 41 -4.803 1.530 -1.201 296 H ASP 42 H ASP 42 -2.352 -1.528 1.511 297 HA ASP 42 HA ASP 42 0.103 -2.808 2.010 298 1HB ASP 42 1HB ASP 42 -2.527 -4.175 1.313 299 2HB ASP 42 2HB ASP 42 -1.232 -4.805 2.311 300 HD2 ASP 42 HD ASP 42 -2.223 -2.843 5.089 301 H ILE 43 H ILE 43 1.352 -4.092 0.569 302 HA ILE 43 HA ILE 43 0.658 -3.855 -2.225 303 HB ILE 43 HB ILE 43 3.087 -4.868 -0.754 304 1HG1 ILE 43 1HG1 ILE 43 2.691 -2.416 -2.494 305 2HG1 ILE 43 2HG1 ILE 43 2.650 -2.411 -0.742 306 1HG2 ILE 43 1HG2 ILE 43 2.805 -6.173 -2.800 307 2HG2 ILE 43 2HG2 ILE 43 2.652 -4.674 -3.747 308 3HG2 ILE 43 3HG2 ILE 43 4.188 -5.058 -2.932 309 1HD1 ILE 43 1HD1 ILE 43 4.891 -1.958 -0.967 310 2HD1 ILE 43 2HD1 ILE 43 5.015 -3.727 -1.135 311 3HD1 ILE 43 3HD1 ILE 43 4.979 -2.696 -2.585 312 H ILE 44 H ILE 44 -0.954 -5.235 -2.848 313 HA ILE 44 HA ILE 44 -0.973 -7.921 -1.778 314 HB ILE 44 HB ILE 44 -3.030 -8.074 -3.259 315 1HG1 ILE 44 1HG1 ILE 44 -2.828 -5.062 -3.370 316 2HG1 ILE 44 2HG1 ILE 44 -2.250 -6.076 -4.678 317 1HG2 ILE 44 1HG2 ILE 44 -2.690 -6.323 -0.855 318 2HG2 ILE 44 2HG2 ILE 44 -4.275 -6.396 -1.662 319 3HG2 ILE 44 3HG2 ILE 44 -3.528 -7.884 -1.028 320 1HD1 ILE 44 1HD1 ILE 44 -4.966 -5.294 -4.075 321 2HD1 ILE 44 2HD1 ILE 44 -4.365 -6.229 -5.465 322 3HD1 ILE 44 3HD1 ILE 44 -4.842 -7.066 -3.969 323 H CYS 45 H CYS 45 0.463 -9.348 -2.606 324 HA CYS 45 HA CYS 45 1.110 -9.087 -5.435 325 1HB CYS 45 1HB CYS 45 3.129 -10.054 -5.022 326 2HB CYS 45 2HB CYS 45 2.848 -9.235 -3.497 327 H GLU 46 H GLU 46 0.853 -10.924 -6.859 328 HA GLU 46 HA GLU 46 -1.203 -12.715 -5.924 329 1HB GLU 46 1HB GLU 46 -1.089 -11.375 -8.217 330 2HB GLU 46 2HB GLU 46 -0.103 -12.728 -8.739 331 1HG GLU 46 1HG GLU 46 -2.518 -13.621 -7.302 332 2HG GLU 46 2HG GLU 46 -2.915 -12.634 -8.695 333 HE2 GLU 46 HE GLU 46 -2.257 -16.254 -9.522 334 H ASP 47 H ASP 47 -0.998 -14.993 -5.841 335 HA ASP 47 HA ASP 47 1.062 -16.417 -6.932 336 1HB ASP 47 1HB ASP 47 2.392 -16.946 -4.834 337 2HB ASP 47 2HB ASP 47 2.643 -15.332 -5.470 338 HD2 ASP 47 HD ASP 47 2.031 -13.999 -2.431 339 H VAL 48 H VAL 48 1.371 -18.581 -5.251 340 HA VAL 48 HA VAL 48 -1.262 -19.110 -4.089 341 HB VAL 48 HB VAL 48 0.201 -20.792 -6.130 342 1HG1 VAL 48 1HG1 VAL 48 -1.410 -22.536 -5.791 343 2HG1 VAL 48 2HG1 VAL 48 -0.708 -22.138 -4.205 344 3HG1 VAL 48 3HG1 VAL 48 -2.330 -21.543 -4.635 345 1HG2 VAL 48 1HG2 VAL 48 -1.401 -20.221 -7.633 346 2HG2 VAL 48 2HG2 VAL 48 -2.683 -20.130 -6.401 347 3HG2 VAL 48 3HG2 VAL 48 -1.541 -18.779 -6.599 348 H LYS 49 H LYS 49 -1.228 -20.579 -2.323 349 HA LYS 49 HA LYS 49 1.427 -20.848 -1.169 350 1HB LYS 49 1HB LYS 49 -1.339 -21.219 0.021 351 2HB LYS 49 2HB LYS 49 0.165 -21.389 0.903 352 1HG LYS 49 1HG LYS 49 0.500 -19.124 1.029 353 2HG LYS 49 2HG LYS 49 0.002 -18.858 -0.630 354 1HD LYS 49 1HD LYS 49 -1.903 -17.960 0.229 355 2HD LYS 49 2HD LYS 49 -2.393 -19.604 0.588 356 1HE LYS 49 1HE LYS 49 -0.769 -19.088 2.753 357 2HE LYS 49 2HE LYS 49 -1.386 -17.479 2.432 358 1HZ LYS 49 1HZ LYS 49 -3.249 -18.141 3.472 359 2HZ LYS 49 2HZ LYS 49 -3.576 -19.156 2.242 360 H ASP 50 H ASP 50 1.177 -22.455 -3.399 361 HA ASP 50 HA ASP 50 1.283 -25.028 -2.120 362 1HB ASP 50 1HB ASP 50 -0.589 -24.298 -4.398 363 2HB ASP 50 2HB ASP 50 0.014 -25.937 -4.250 364 HD2 ASP 50 HD ASP 50 -0.999 -26.803 -1.536 365 H CYS 51 H CYS 51 3.504 -23.648 -2.848 366 HA CYS 51 HA CYS 51 4.193 -24.716 -5.490 367 1HB CYS 51 1HB CYS 51 4.076 -22.191 -5.279 368 2HB CYS 51 2HB CYS 51 5.449 -22.293 -4.196 369 H LEU 52 H LEU 52 6.723 -25.068 -5.602 370 HA LEU 52 HA LEU 52 7.397 -26.921 -3.632 371 1HB LEU 52 1HB LEU 52 8.727 -25.636 -5.955 372 2HB LEU 52 2HB LEU 52 9.770 -26.386 -4.762 373 HG LEU 52 HG LEU 52 7.487 -28.051 -5.638 374 1HD1 LEU 52 1HD1 LEU 52 8.125 -26.855 -7.737 375 2HD1 LEU 52 2HD1 LEU 52 9.760 -27.540 -7.573 376 3HD1 LEU 52 3HD1 LEU 52 8.360 -28.618 -7.794 377 1HD2 LEU 52 1HD2 LEU 52 10.439 -28.699 -5.528 378 2HD2 LEU 52 2HD2 LEU 52 9.370 -28.745 -4.105 379 3HD2 LEU 52 3HD2 LEU 52 9.058 -29.821 -5.488 380 H SER 53 H SER 53 9.569 -24.140 -4.322 381 HA SER 53 HA SER 53 9.712 -23.783 -1.432 382 1HB SER 53 1HB SER 53 12.000 -22.842 -1.868 383 2HB SER 53 2HB SER 53 11.841 -24.522 -2.339 384 HG SER 53 HG SER 53 11.280 -22.549 -4.319 385 HA PRO 54 HA PRO 54 8.169 -19.769 -2.176 386 1HB PRO 54 1HB PRO 54 8.591 -18.659 0.285 387 2HB PRO 54 2HB PRO 54 7.212 -19.675 -0.085 388 1HG PRO 54 1HG PRO 54 9.636 -20.337 1.471 389 2HG PRO 54 2HG PRO 54 8.090 -21.161 1.445 390 1HD PRO 54 1HD PRO 54 10.504 -22.001 0.143 391 2HD PRO 54 2HD PRO 54 8.929 -22.761 0.024 392 H GLU 55 H GLU 55 8.777 -17.827 -3.018 393 HA GLU 55 HA GLU 55 11.292 -16.798 -2.193 394 1HB GLU 55 1HB GLU 55 11.929 -18.579 -3.875 395 2HB GLU 55 2HB GLU 55 11.012 -17.709 -5.090 396 1HG GLU 55 1HG GLU 55 12.569 -15.669 -4.097 397 2HG GLU 55 2HG GLU 55 13.645 -17.030 -3.851 398 HE2 GLU 55 HE GLU 55 13.108 -14.842 -6.388 399 H ILE 56 H ILE 56 11.115 -14.592 -2.234 400 HA ILE 56 HA ILE 56 8.789 -13.457 -3.463 401 HB ILE 56 HB ILE 56 10.168 -12.907 -1.225 402 1HG1 ILE 56 1HG1 ILE 56 8.692 -10.725 -2.701 403 2HG1 ILE 56 2HG1 ILE 56 7.865 -12.144 -2.089 404 1HG2 ILE 56 1HG2 ILE 56 11.121 -10.842 -3.228 405 2HG2 ILE 56 2HG2 ILE 56 11.367 -10.800 -1.465 406 3HG2 ILE 56 3HG2 ILE 56 12.131 -12.077 -2.441 407 1HD1 ILE 56 1HD1 ILE 56 9.716 -10.674 -0.216 408 2HD1 ILE 56 2HD1 ILE 56 8.131 -9.953 -0.585 409 3HD1 ILE 56 3HD1 ILE 56 8.223 -11.574 0.145 410 HA PRO 57 HA PRO 57 10.865 -12.589 -7.189 411 1HB PRO 57 1HB PRO 57 8.766 -11.442 -8.512 412 2HB PRO 57 2HB PRO 57 9.025 -13.175 -8.443 413 1HG PRO 57 1HG PRO 57 7.039 -11.540 -6.988 414 2HG PRO 57 2HG PRO 57 7.046 -13.270 -7.265 415 1HD PRO 57 1HD PRO 57 7.734 -11.919 -4.829 416 2HD PRO 57 2HD PRO 57 7.852 -13.639 -5.143 417 H PHE 58 H PHE 58 12.422 -11.120 -7.378 418 HA PHE 58 HA PHE 58 13.414 -9.161 -6.923 419 1HB PHE 58 1HB PHE 58 12.007 -9.162 -9.208 420 2HB PHE 58 2HB PHE 58 10.987 -8.003 -8.379 421 HD1 PHE 58 1HD PHE 58 14.298 -8.584 -9.830 422 HD2 PHE 58 2HD PHE 58 11.781 -5.765 -7.899 423 HE1 PHE 58 1HE PHE 58 15.864 -6.735 -10.487 424 HE2 PHE 58 2HE PHE 58 13.346 -3.917 -8.556 425 HZ PHE 58 HZ PHE 58 15.369 -4.423 -9.842 426 H GLY 59 H GLY 59 11.883 -9.817 -4.655 427 1HA GLY 59 1HA GLY 59 11.003 -8.902 -2.802 428 2HA GLY 59 2HA GLY 59 11.681 -7.378 -3.339 429 H GLU 60 H GLU 60 8.841 -8.819 -2.412 430 HA GLU 60 HA GLU 60 7.332 -6.839 -3.907 431 1HB GLU 60 1HB GLU 60 6.464 -9.737 -3.511 432 2HB GLU 60 2HB GLU 60 5.472 -8.478 -4.220 433 1HG GLU 60 1HG GLU 60 8.113 -8.614 -5.508 434 2HG GLU 60 2HG GLU 60 7.286 -10.157 -5.583 435 HE2 GLU 60 HE GLU 60 6.263 -6.962 -7.587 436 H CYS 61 H CYS 61 6.455 -9.489 -1.585 437 HA CYS 61 HA CYS 61 6.404 -7.892 0.676 438 1HB CYS 61 1HB CYS 61 4.584 -6.726 -0.616 439 2HB CYS 61 2HB CYS 61 3.642 -8.200 -0.513 440 H CYS 62 H CYS 62 4.961 -10.532 -1.286 441 HA CYS 62 HA CYS 62 4.752 -12.138 1.147 442 1HB CYS 62 1HB CYS 62 3.659 -13.398 -1.210 443 2HB CYS 62 2HB CYS 62 2.901 -13.039 0.328 444 HA PRO 63 HA PRO 63 8.433 -13.881 -0.631 445 1HB PRO 63 1HB PRO 63 9.387 -15.016 1.664 446 2HB PRO 63 2HB PRO 63 9.748 -13.369 1.189 447 1HG PRO 63 1HG PRO 63 7.891 -14.329 3.278 448 2HG PRO 63 2HG PRO 63 8.581 -12.731 3.072 449 1HD PRO 63 1HD PRO 63 5.908 -13.542 2.422 450 2HD PRO 63 2HD PRO 63 6.634 -11.978 2.109 451 H ILE 64 H ILE 64 6.509 -15.080 -1.713 452 HA ILE 64 HA ILE 64 6.974 -17.872 -0.983 453 HB ILE 64 HB ILE 64 4.765 -18.433 -0.823 454 1HG1 ILE 64 1HG1 ILE 64 4.182 -15.953 -2.437 455 2HG1 ILE 64 2HG1 ILE 64 3.860 -17.626 -2.843 456 1HG2 ILE 64 1HG2 ILE 64 4.349 -15.658 0.212 457 2HG2 ILE 64 2HG2 ILE 64 3.952 -17.229 0.946 458 3HG2 ILE 64 3HG2 ILE 64 5.638 -16.658 0.923 459 1HD1 ILE 64 1HD1 ILE 64 2.257 -15.746 -1.223 460 2HD1 ILE 64 2HD1 ILE 64 1.753 -17.224 -2.077 461 3HD1 ILE 64 3HD1 ILE 64 2.467 -17.336 -0.451 462 H CYS 65 H CYS 65 6.095 -19.342 -2.836 463 HA CYS 65 HA CYS 65 7.019 -18.097 -5.297 464 1HB CYS 65 1HB CYS 65 8.240 -20.026 -4.940 465 2HB CYS 65 2HB CYS 65 6.876 -20.911 -4.287 466 HA PRO 66 HA PRO 66 2.780 -18.024 -6.466 467 1HB PRO 66 1HB PRO 66 3.091 -16.776 -8.879 468 2HB PRO 66 2HB PRO 66 2.968 -15.910 -7.360 469 1HG PRO 66 1HG PRO 66 5.363 -16.412 -9.018 470 2HG PRO 66 2HG PRO 66 5.133 -15.220 -7.755 471 1HD PRO 66 1HD PRO 66 6.592 -17.681 -7.547 472 2HD PRO 66 2HD PRO 66 6.264 -16.544 -6.254 473 H ALA 67 H ALA 67 1.422 -18.537 -8.558 474 HA ALA 67 HA ALA 67 1.551 -21.193 -8.960 475 1HB ALA 67 1HB ALA 67 0.844 -19.782 -11.427 476 2HB ALA 67 2HB ALA 67 -0.179 -20.741 -10.332 477 3HB ALA 67 3HB ALA 67 0.125 -19.021 -9.988 478 H ASP 68 H ASP 68 3.189 -18.669 -10.992 479 HA ASP 68 HA ASP 68 5.511 -20.014 -11.282 480 1HB ASP 68 1HB ASP 68 5.252 -20.849 -13.705 481 2HB ASP 68 2HB ASP 68 4.528 -21.841 -12.456 482 HD2 ASP 68 HD ASP 68 2.209 -22.475 -13.739 483 H LEU 69 H LEU 69 5.858 -17.621 -11.088 484 HA LEU 69 HA LEU 69 6.378 -15.634 -11.898 485 1HB LEU 69 1HB LEU 69 6.366 -17.181 -14.482 486 2HB LEU 69 2HB LEU 69 6.763 -15.475 -14.417 487 HG LEU 69 HG LEU 69 8.249 -17.269 -12.559 488 1HD1 LEU 69 1HD1 LEU 69 9.485 -18.407 -14.078 489 2HD1 LEU 69 2HD1 LEU 69 7.998 -18.253 -15.042 490 3HD1 LEU 69 3HD1 LEU 69 9.352 -17.132 -15.314 491 1HD2 LEU 69 1HD2 LEU 69 8.633 -14.841 -12.602 492 2HD2 LEU 69 2HD2 LEU 69 10.087 -15.759 -13.064 493 3HD2 LEU 69 3HD2 LEU 69 9.109 -14.952 -14.314 494 H ALA 70 H ALA 70 4.323 -16.618 -14.701 495 HA ALA 70 HA ALA 70 2.039 -15.254 -13.676 496 1HB ALA 70 1HB ALA 70 2.085 -13.289 -14.893 497 2HB ALA 70 2HB ALA 70 3.825 -13.488 -14.573 498 3HB ALA 70 3HB ALA 70 3.151 -13.963 -16.150 499 H ALA 71 H ALA 71 0.527 -16.716 -14.293 500 HA ALA 71 HA ALA 71 -0.662 -18.091 -15.554 501 1HB ALA 71 1HB ALA 71 -0.587 -17.660 -18.085 502 2HB ALA 71 2HB ALA 71 -1.054 -16.285 -17.055 503 3HB ALA 71 3HB ALA 71 0.593 -16.377 -17.722 504 H ALA 72 H ALA 72 -0.395 -19.783 -17.543 505 HA ALA 72 HA ALA 72 2.074 -21.190 -16.896 506 1HB ALA 72 1HB ALA 72 -0.671 -21.909 -17.348 507 2HB ALA 72 2HB ALA 72 0.329 -22.697 -18.591 508 3HB ALA 72 3HB ALA 72 0.687 -22.955 -16.866 509 H ALA 73 H ALA 73 3.790 -21.056 -18.246 510 HA ALA 73 HA ALA 73 3.235 -20.248 -21.013 511 1HB ALA 73 1HB ALA 73 6.018 -20.088 -20.283 512 2HB ALA 73 2HB ALA 73 4.900 -18.772 -20.717 513 3HB ALA 73 3HB ALA 73 5.042 -19.297 -19.022 Start of MODEL 19 1 1H TYR 1 H TYR 1 0.229 16.210 13.109 2 HA TYR 1 HA TYR 1 1.301 15.600 15.424 3 1HB TYR 1 1HB TYR 1 3.307 15.378 13.290 4 2HB TYR 1 2HB TYR 1 3.788 16.671 14.370 5 HD1 TYR 1 1HD TYR 1 4.812 16.197 16.448 6 HD2 TYR 1 2HD TYR 1 2.839 13.064 14.304 7 HE1 TYR 1 1HE TYR 1 5.760 14.483 18.067 8 HE2 TYR 1 2HE TYR 1 3.794 11.359 15.930 9 HH TYR 1 HH TYR 1 6.222 11.643 17.615 10 H VAL 2 H VAL 2 2.092 17.928 12.755 11 HA VAL 2 HA VAL 2 0.728 20.035 13.961 12 HB VAL 2 HB VAL 2 2.377 20.035 15.673 13 1HG1 VAL 2 1HG1 VAL 2 4.065 18.797 14.050 14 2HG1 VAL 2 2HG1 VAL 2 4.669 20.451 13.789 15 3HG1 VAL 2 3HG1 VAL 2 4.647 19.760 15.429 16 1HG2 VAL 2 1HG2 VAL 2 3.397 22.261 15.403 17 2HG2 VAL 2 2HG2 VAL 2 3.023 22.220 13.664 18 3HG2 VAL 2 3HG2 VAL 2 1.703 22.244 14.857 19 H GLU 3 H GLU 3 3.471 18.931 11.917 20 HA GLU 3 HA GLU 3 3.724 21.087 10.303 21 1HB GLU 3 1HB GLU 3 4.356 19.329 8.509 22 2HB GLU 3 2HB GLU 3 5.271 19.323 10.004 23 1HG GLU 3 1HG GLU 3 2.999 17.649 10.464 24 2HG GLU 3 2HG GLU 3 3.604 17.219 8.876 25 HE2 GLU 3 HE GLU 3 5.427 15.479 11.637 26 H PHE 4 H PHE 4 2.401 22.163 8.897 27 HA PHE 4 HA PHE 4 -0.208 21.083 8.405 28 1HB PHE 4 1HB PHE 4 1.375 23.619 8.091 29 2HB PHE 4 2HB PHE 4 0.145 23.396 6.862 30 HD1 PHE 4 1HD PHE 4 0.754 23.932 10.432 31 HD2 PHE 4 2HD PHE 4 -2.210 23.469 7.431 32 HE1 PHE 4 1HE PHE 4 -0.987 24.799 12.018 33 HE2 PHE 4 2HE PHE 4 -3.951 24.338 9.017 34 HZ PHE 4 HZ PHE 4 -3.318 24.993 11.292 35 H GLN 5 H GLN 5 -1.053 20.312 6.467 36 HA GLN 5 HA GLN 5 0.806 19.278 4.652 37 1HB GLN 5 1HB GLN 5 -2.186 19.362 4.895 38 2HB GLN 5 2HB GLN 5 -1.529 18.979 3.317 39 1HG GLN 5 1HG GLN 5 -1.353 16.839 4.075 40 2HG GLN 5 2HG GLN 5 0.040 17.397 4.981 41 1HE2 GLN 5 1HE2 GLN 5 -0.121 16.230 6.783 42 2HE2 GLN 5 2HE2 GLN 5 -1.440 16.272 7.906 43 H GLU 6 H GLU 6 1.270 19.866 2.468 44 HA GLU 6 HA GLU 6 0.477 22.608 1.870 45 1HB GLU 6 1HB GLU 6 3.043 21.155 1.690 46 2HB GLU 6 2HB GLU 6 2.650 22.023 0.219 47 1HG GLU 6 1HG GLU 6 2.288 23.444 2.861 48 2HG GLU 6 2HG GLU 6 3.916 23.231 2.250 49 HE2 GLU 6 HE GLU 6 1.258 24.969 -0.143 50 H ALA 7 H ALA 7 -1.266 22.534 0.494 51 HA ALA 7 HA ALA 7 -1.708 20.366 -1.263 52 1HB ALA 7 1HB ALA 7 -3.048 22.761 -0.341 53 2HB ALA 7 2HB ALA 7 -3.183 22.634 -2.112 54 3HB ALA 7 3HB ALA 7 -3.744 21.298 -1.079 55 H GLY 8 H GLY 8 -0.594 19.929 -3.093 56 1HA GLY 8 1HA GLY 8 -0.313 21.062 -5.357 57 2HA GLY 8 2HA GLY 8 0.702 22.189 -4.479 58 H SER 9 H SER 9 2.214 20.721 -2.755 59 HA SER 9 HA SER 9 3.423 18.697 -4.469 60 1HB SER 9 1HB SER 9 4.562 21.175 -3.518 61 2HB SER 9 2HB SER 9 5.421 19.852 -2.755 62 HG SER 9 HG SER 9 4.923 19.995 -5.603 63 H CYS 10 H CYS 10 4.501 16.922 -3.310 64 HA CYS 10 HA CYS 10 3.479 16.681 -0.577 65 1HB CYS 10 1HB CYS 10 4.381 14.245 -1.976 66 2HB CYS 10 2HB CYS 10 3.010 14.502 -0.917 67 H VAL 11 H VAL 11 4.974 16.271 1.082 68 HA VAL 11 HA VAL 11 7.778 16.340 0.245 69 HB VAL 11 HB VAL 11 6.363 17.017 2.827 70 1HG1 VAL 11 1HG1 VAL 11 9.026 16.075 2.512 71 2HG1 VAL 11 2HG1 VAL 11 9.120 17.824 2.827 72 3HG1 VAL 11 3HG1 VAL 11 8.262 16.760 3.967 73 1HG2 VAL 11 1HG2 VAL 11 7.875 18.691 0.795 74 2HG2 VAL 11 2HG2 VAL 11 6.131 18.736 1.145 75 3HG2 VAL 11 3HG2 VAL 11 7.298 19.286 2.371 76 H GLN 12 H GLN 12 8.725 14.378 0.063 77 HA GLN 12 HA GLN 12 7.966 12.416 2.084 78 1HB GLN 12 1HB GLN 12 7.397 12.149 -0.577 79 2HB GLN 12 2HB GLN 12 8.988 11.416 -0.540 80 1HG GLN 12 1HG GLN 12 6.828 10.641 1.462 81 2HG GLN 12 2HG GLN 12 6.946 9.868 -0.106 82 1HE2 GLN 12 1HE2 GLN 12 7.437 9.079 2.800 83 2HE2 GLN 12 2HE2 GLN 12 8.967 8.265 2.793 84 H ASP 13 H ASP 13 9.691 12.646 3.508 85 HA ASP 13 HA ASP 13 11.693 12.302 4.282 86 1HB ASP 13 1HB ASP 13 11.697 10.698 1.950 87 2HB ASP 13 2HB ASP 13 13.179 11.628 1.835 88 HD2 ASP 13 HD ASP 13 14.666 10.577 4.532 89 H GLY 14 H GLY 14 10.740 14.625 2.236 90 1HA GLY 14 1HA GLY 14 11.720 16.777 2.314 91 2HA GLY 14 2HA GLY 14 13.315 16.052 2.334 92 H GLN 15 H GLN 15 10.912 14.619 0.194 93 HA GLN 15 HA GLN 15 12.227 15.978 -2.029 94 1HB GLN 15 1HB GLN 15 11.557 13.084 -1.581 95 2HB GLN 15 2HB GLN 15 11.409 13.696 -3.217 96 1HG GLN 15 1HG GLN 15 13.648 13.299 -3.385 97 2HG GLN 15 2HG GLN 15 13.847 14.771 -2.455 98 1HE2 GLN 15 1HE2 GLN 15 15.805 13.898 -1.670 99 2HE2 GLN 15 2HE2 GLN 15 15.839 12.750 -0.374 100 H ARG 16 H ARG 16 10.904 17.009 -3.502 101 HA ARG 16 HA ARG 16 8.133 17.051 -2.847 102 1HB ARG 16 1HB ARG 16 9.857 18.516 -4.891 103 2HB ARG 16 2HB ARG 16 8.114 18.709 -4.868 104 1HG ARG 16 1HG ARG 16 8.476 20.356 -3.336 105 2HG ARG 16 2HG ARG 16 8.748 19.062 -2.187 106 1HD ARG 16 1HD ARG 16 11.188 19.092 -2.708 107 2HD ARG 16 2HD ARG 16 10.931 20.356 -3.895 108 HE ARG 16 HE ARG 16 10.991 20.680 -0.992 109 1HH1 ARG 16 2HH2 ARG 16 9.751 22.076 -4.003 110 2HH1 ARG 16 1HH2 ARG 16 9.589 23.669 -3.343 111 1HH2 ARG 16 1HH ARG 16 10.198 24.060 -1.058 112 H TYR 17 H TYR 17 6.813 15.424 -3.620 113 HA TYR 17 HA TYR 17 7.390 14.420 -6.325 114 1HB TYR 17 1HB TYR 17 6.195 13.298 -3.732 115 2HB TYR 17 2HB TYR 17 5.879 12.492 -5.255 116 HD1 TYR 17 1HD TYR 17 8.206 12.912 -2.547 117 HD2 TYR 17 2HD TYR 17 7.877 11.646 -6.621 118 HE1 TYR 17 1HE TYR 17 10.396 11.638 -2.335 119 HE2 TYR 17 2HE TYR 17 10.069 10.376 -6.396 120 HH TYR 17 HH TYR 17 11.300 9.310 -4.082 121 H ASN 18 H ASN 18 5.442 13.702 -7.583 122 HA ASN 18 HA ASN 18 3.514 15.776 -7.463 123 1HB ASN 18 1HB ASN 18 4.405 13.744 -9.363 124 2HB ASN 18 2HB ASN 18 2.657 13.703 -9.257 125 1HD2 ASN 18 1HD2 ASN 18 5.469 15.585 -10.063 126 2HD2 ASN 18 2HD2 ASN 18 4.679 16.868 -10.920 127 H ASP 19 H ASP 19 1.110 14.481 -8.235 128 HA ASP 19 HA ASP 19 0.369 13.322 -5.728 129 1HB ASP 19 1HB ASP 19 -1.400 13.648 -8.182 130 2HB ASP 19 2HB ASP 19 -1.904 13.574 -6.505 131 HD2 ASP 19 HD ASP 19 -1.566 17.028 -8.068 132 H LYS 20 H LYS 20 -0.210 12.496 -9.242 133 HA LYS 20 HA LYS 20 -0.883 9.828 -8.725 134 1HB LYS 20 1HB LYS 20 -1.217 11.446 -10.816 135 2HB LYS 20 2HB LYS 20 0.245 10.655 -11.369 136 1HG LYS 20 1HG LYS 20 -0.923 8.413 -10.811 137 2HG LYS 20 2HG LYS 20 -2.400 9.337 -10.621 138 1HD LYS 20 1HD LYS 20 -2.021 10.263 -12.976 139 2HD LYS 20 2HD LYS 20 -0.690 9.136 -13.143 140 1HE LYS 20 1HE LYS 20 -2.140 7.488 -13.710 141 2HE LYS 20 2HE LYS 20 -2.934 7.635 -12.155 142 1HZ LYS 20 1HZ LYS 20 -3.758 9.785 -13.772 143 2HZ LYS 20 2HZ LYS 20 -3.936 8.423 -14.645 144 H ASP 21 H ASP 21 2.123 11.482 -8.569 145 HA ASP 21 HA ASP 21 3.853 9.608 -9.561 146 1HB ASP 21 1HB ASP 21 3.940 11.894 -7.700 147 2HB ASP 21 2HB ASP 21 5.117 10.668 -7.275 148 HD2 ASP 21 HD ASP 21 6.857 12.856 -9.422 149 H VAL 22 H VAL 22 4.387 7.534 -8.838 150 HA VAL 22 HA VAL 22 3.520 6.833 -6.122 151 HB VAL 22 HB VAL 22 2.439 5.730 -8.129 152 1HG1 VAL 22 1HG1 VAL 22 4.305 5.434 -9.598 153 2HG1 VAL 22 2HG1 VAL 22 5.213 4.526 -8.366 154 3HG1 VAL 22 3HG1 VAL 22 3.758 3.813 -9.104 155 1HG2 VAL 22 1HG2 VAL 22 3.862 3.790 -6.288 156 2HG2 VAL 22 2HG2 VAL 22 2.520 4.829 -5.755 157 3HG2 VAL 22 3HG2 VAL 22 2.256 3.624 -7.038 158 H TRP 23 H TRP 23 4.947 5.559 -4.804 159 HA TRP 23 HA TRP 23 7.628 5.127 -5.812 160 1HB TRP 23 1HB TRP 23 8.749 6.414 -4.163 161 2HB TRP 23 2HB TRP 23 7.643 7.469 -5.021 162 HD1 TRP 23 HD TRP 23 8.028 5.774 -1.560 163 HE1 TRP 23 1HE TRP 23 6.580 7.012 0.266 164 HE3 TRP 23 3HE TRP 23 5.673 8.909 -4.797 165 HZ2 TRP 23 2HZ TRP 23 4.657 9.117 0.154 166 HZ3 TRP 23 3HZ TRP 23 4.026 10.526 -3.857 167 HH2 TRP 23 HH TRP 23 3.504 10.660 -1.472 168 H LYS 24 H LYS 24 8.719 3.498 -4.564 169 HA LYS 24 HA LYS 24 6.932 2.153 -2.664 170 1HB LYS 24 1HB LYS 24 7.367 0.868 -4.698 171 2HB LYS 24 2HB LYS 24 9.095 1.013 -4.457 172 1HG LYS 24 1HG LYS 24 7.541 -0.073 -2.136 173 2HG LYS 24 2HG LYS 24 7.618 -1.103 -3.552 174 1HD LYS 24 1HD LYS 24 10.253 0.024 -3.030 175 2HD LYS 24 2HD LYS 24 9.636 -0.715 -1.565 176 1HE LYS 24 1HE LYS 24 10.367 -2.688 -2.447 177 2HE LYS 24 2HE LYS 24 8.948 -2.613 -3.473 178 1HZ LYS 24 1HZ LYS 24 10.203 -1.987 -5.265 179 2HZ LYS 24 2HZ LYS 24 11.271 -1.112 -4.401 180 HA PRO 25 HA PRO 25 10.121 3.543 0.059 181 1HB PRO 25 1HB PRO 25 8.609 3.514 2.335 182 2HB PRO 25 2HB PRO 25 8.724 4.908 1.280 183 1HG PRO 25 1HG PRO 25 6.494 2.992 1.581 184 2HG PRO 25 2HG PRO 25 6.476 4.595 0.875 185 1HD PRO 25 1HD PRO 25 6.465 2.097 -0.536 186 2HD PRO 25 2HD PRO 25 6.563 3.698 -1.241 187 H GLU 26 H GLU 26 7.952 0.851 0.629 188 HA GLU 26 HA GLU 26 10.308 -0.598 1.512 189 1HB GLU 26 1HB GLU 26 7.615 -0.530 2.935 190 2HB GLU 26 2HB GLU 26 8.836 -1.744 3.254 191 1HG GLU 26 1HG GLU 26 10.471 0.093 3.822 192 2HG GLU 26 2HG GLU 26 9.197 1.272 3.577 193 HE2 GLU 26 HE GLU 26 9.474 -0.128 7.109 194 HA PRO 27 HA PRO 27 8.698 -3.597 -1.182 195 1HB PRO 27 1HB PRO 27 10.037 -5.830 -0.351 196 2HB PRO 27 2HB PRO 27 10.752 -4.617 -1.394 197 1HG PRO 27 1HG PRO 27 11.232 -5.103 1.481 198 2HG PRO 27 2HG PRO 27 12.215 -4.208 0.340 199 1HD PRO 27 1HD PRO 27 10.478 -3.109 2.341 200 2HD PRO 27 2HD PRO 27 11.371 -2.218 1.124 201 H CYS 28 H CYS 28 6.763 -2.934 0.503 202 HA CYS 28 HA CYS 28 5.340 -5.355 0.638 203 1HB CYS 28 1HB CYS 28 6.923 -4.755 2.946 204 2HB CYS 28 2HB CYS 28 5.232 -4.558 3.366 205 H ARG 29 H ARG 29 5.886 -1.956 1.638 206 HA ARG 29 HA ARG 29 3.028 -1.544 1.264 207 1HB ARG 29 1HB ARG 29 4.462 -1.106 3.626 208 2HB ARG 29 2HB ARG 29 4.434 0.492 2.906 209 1HG ARG 29 1HG ARG 29 2.411 0.564 4.043 210 2HG ARG 29 2HG ARG 29 1.848 -0.079 2.512 211 1HD ARG 29 1HD ARG 29 1.071 -1.916 3.595 212 2HD ARG 29 2HD ARG 29 2.717 -2.340 4.024 213 HE ARG 29 HE ARG 29 2.257 -1.661 6.205 214 1HH1 ARG 29 2HH2 ARG 29 0.011 0.014 4.037 215 2HH1 ARG 29 1HH2 ARG 29 -0.859 0.777 5.326 216 1HH2 ARG 29 1HH ARG 29 -0.195 0.370 7.593 217 H ILE 30 H ILE 30 2.467 0.072 -0.216 218 HA ILE 30 HA ILE 30 4.715 1.632 -1.287 219 HB ILE 30 HB ILE 30 3.741 -0.091 -2.792 220 1HG1 ILE 30 1HG1 ILE 30 4.810 2.197 -3.450 221 2HG1 ILE 30 2HG1 ILE 30 4.029 1.207 -4.668 222 1HG2 ILE 30 1HG2 ILE 30 1.509 0.610 -3.860 223 2HG2 ILE 30 2HG2 ILE 30 1.468 -0.204 -2.277 224 3HG2 ILE 30 3HG2 ILE 30 1.256 1.561 -2.377 225 1HD1 ILE 30 1HD1 ILE 30 2.291 2.685 -4.959 226 2HD1 ILE 30 2HD1 ILE 30 2.227 3.106 -3.231 227 3HD1 ILE 30 3HD1 ILE 30 3.457 3.848 -4.283 228 H CYS 31 H CYS 31 4.509 3.857 -1.448 229 HA CYS 31 HA CYS 31 2.032 4.912 -0.291 230 1HB CYS 31 1HB CYS 31 4.882 5.559 0.151 231 2HB CYS 31 2HB CYS 31 3.818 6.941 -0.007 232 H VAL 32 H VAL 32 0.939 6.520 -1.474 233 HA VAL 32 HA VAL 32 2.281 7.621 -3.808 234 HB VAL 32 HB VAL 32 1.134 5.511 -4.483 235 1HG1 VAL 32 1HG1 VAL 32 -0.835 6.133 -2.788 236 2HG1 VAL 32 2HG1 VAL 32 -1.524 6.857 -4.261 237 3HG1 VAL 32 3HG1 VAL 32 -1.107 5.127 -4.231 238 1HG2 VAL 32 1HG2 VAL 32 1.414 7.771 -5.860 239 2HG2 VAL 32 2HG2 VAL 32 0.545 6.367 -6.526 240 3HG2 VAL 32 3HG2 VAL 32 -0.365 7.727 -5.822 241 H CYS 33 H CYS 33 1.904 9.779 -3.920 242 HA CYS 33 HA CYS 33 0.237 10.969 -1.982 243 1HB CYS 33 1HB CYS 33 2.352 11.930 -2.949 244 2HB CYS 33 2HB CYS 33 1.461 12.274 -4.417 245 H ASP 34 H ASP 34 -1.731 9.603 -2.688 246 HA ASP 34 HA ASP 34 -2.899 10.228 -5.174 247 1HB ASP 34 1HB ASP 34 -3.283 8.334 -3.115 248 2HB ASP 34 2HB ASP 34 -4.758 9.278 -3.099 249 HD2 ASP 34 HD ASP 34 -6.160 7.835 -5.626 250 H THR 35 H THR 35 -4.188 12.027 -5.636 251 HA THR 35 HA THR 35 -5.313 13.925 -5.355 252 HB THR 35 HB THR 35 -6.361 12.650 -2.781 253 HG1 THR 35 1HG THR 35 -7.834 11.622 -4.387 254 1HG2 THR 35 1HG2 THR 35 -7.062 15.043 -4.057 255 2HG2 THR 35 2HG2 THR 35 -8.206 13.871 -4.752 256 3HG2 THR 35 3HG2 THR 35 -8.130 14.102 -2.989 257 H GLY 36 H GLY 36 -2.568 13.604 -4.175 258 1HA GLY 36 1HA GLY 36 -1.227 15.262 -3.315 259 2HA GLY 36 2HA GLY 36 -2.628 16.092 -2.668 260 H THR 37 H THR 37 -3.536 13.251 -1.611 261 HA THR 37 HA THR 37 -2.186 13.567 0.939 262 HB THR 37 HB THR 37 -4.560 11.914 -0.064 263 HG1 THR 37 1HG THR 37 -5.179 14.059 0.243 264 1HG2 THR 37 1HG2 THR 37 -4.782 12.124 2.690 265 2HG2 THR 37 2HG2 THR 37 -4.204 10.667 1.847 266 3HG2 THR 37 3HG2 THR 37 -3.035 11.840 2.499 267 H VAL 38 H VAL 38 -0.534 12.381 1.666 268 HA VAL 38 HA VAL 38 0.480 10.319 -0.062 269 HB VAL 38 HB VAL 38 1.413 11.570 2.522 270 1HG1 VAL 38 1HG1 VAL 38 2.318 9.424 2.711 271 2HG1 VAL 38 2HG1 VAL 38 2.551 9.258 0.954 272 3HG1 VAL 38 3HG1 VAL 38 3.609 10.337 1.894 273 1HG2 VAL 38 1HG2 VAL 38 3.339 12.075 0.681 274 2HG2 VAL 38 2HG2 VAL 38 1.901 12.035 -0.367 275 3HG2 VAL 38 3HG2 VAL 38 1.969 13.162 1.010 276 H LEU 39 H LEU 39 -0.970 8.580 -0.023 277 HA LEU 39 HA LEU 39 -1.420 7.415 2.634 278 1HB LEU 39 1HB LEU 39 -3.509 6.961 2.056 279 2HB LEU 39 2HB LEU 39 -3.272 8.156 0.796 280 HG LEU 39 HG LEU 39 -2.596 6.285 -0.752 281 1HD1 LEU 39 1HD1 LEU 39 -2.100 4.321 0.169 282 2HD1 LEU 39 2HD1 LEU 39 -2.878 4.756 1.709 283 3HD1 LEU 39 3HD1 LEU 39 -3.850 4.080 0.380 284 1HD2 LEU 39 1HD2 LEU 39 -5.396 6.067 0.386 285 2HD2 LEU 39 2HD2 LEU 39 -4.846 7.329 -0.741 286 3HD2 LEU 39 3HD2 LEU 39 -4.861 5.625 -1.253 287 H CYS 40 H CYS 40 -1.106 5.127 2.911 288 HA CYS 40 HA CYS 40 0.694 4.036 0.872 289 1HB CYS 40 1HB CYS 40 1.007 4.344 3.713 290 2HB CYS 40 2HB CYS 40 1.020 2.638 3.312 291 H ASP 41 H ASP 41 0.019 2.133 -0.101 292 HA ASP 41 HA ASP 41 -2.403 0.973 1.003 293 1HB ASP 41 1HB ASP 41 -2.740 1.591 -1.278 294 2HB ASP 41 2HB ASP 41 -1.148 1.039 -1.757 295 HD2 ASP 41 HD ASP 41 -3.799 -1.810 -0.904 296 H ASP 42 H ASP 42 -2.533 -1.544 0.628 297 HA ASP 42 HA ASP 42 -0.082 -2.636 1.629 298 1HB ASP 42 1HB ASP 42 -1.553 -4.779 1.683 299 2HB ASP 42 2HB ASP 42 -1.978 -3.470 2.767 300 HD2 ASP 42 HD ASP 42 -4.223 -4.184 2.765 301 H ILE 43 H ILE 43 1.364 -3.816 0.341 302 HA ILE 43 HA ILE 43 0.881 -3.975 -2.450 303 HB ILE 43 HB ILE 43 3.075 -5.042 -0.673 304 1HG1 ILE 43 1HG1 ILE 43 2.911 -2.616 -2.485 305 2HG1 ILE 43 2HG1 ILE 43 2.928 -2.606 -0.733 306 1HG2 ILE 43 1HG2 ILE 43 3.052 -4.912 -3.700 307 2HG2 ILE 43 2HG2 ILE 43 4.358 -5.515 -2.652 308 3HG2 ILE 43 3HG2 ILE 43 2.813 -6.394 -2.744 309 1HD1 ILE 43 1HD1 ILE 43 5.168 -3.235 -2.652 310 2HD1 ILE 43 2HD1 ILE 43 5.186 -2.222 -1.188 311 3HD1 ILE 43 3HD1 ILE 43 5.182 -3.995 -1.043 312 H ILE 44 H ILE 44 -0.819 -5.276 -3.052 313 HA ILE 44 HA ILE 44 -1.067 -7.880 -1.818 314 HB ILE 44 HB ILE 44 -3.064 -8.014 -3.353 315 1HG1 ILE 44 1HG1 ILE 44 -2.644 -5.052 -3.768 316 2HG1 ILE 44 2HG1 ILE 44 -2.083 -6.236 -4.931 317 1HG2 ILE 44 1HG2 ILE 44 -4.280 -6.144 -2.004 318 2HG2 ILE 44 2HG2 ILE 44 -3.591 -7.548 -1.154 319 3HG2 ILE 44 3HG2 ILE 44 -2.722 -5.996 -1.157 320 1HD1 ILE 44 1HD1 ILE 44 -4.630 -7.151 -4.556 321 2HD1 ILE 44 2HD1 ILE 44 -4.871 -5.415 -4.251 322 3HD1 ILE 44 3HD1 ILE 44 -4.191 -5.959 -5.803 323 H CYS 45 H CYS 45 0.263 -9.477 -2.488 324 HA CYS 45 HA CYS 45 0.973 -9.476 -5.327 325 1HB CYS 45 1HB CYS 45 2.648 -11.290 -4.103 326 2HB CYS 45 2HB CYS 45 3.049 -9.654 -4.585 327 H GLU 46 H GLU 46 0.998 -11.648 -6.393 328 HA GLU 46 HA GLU 46 -1.270 -13.143 -5.532 329 1HB GLU 46 1HB GLU 46 0.470 -13.011 -7.961 330 2HB GLU 46 2HB GLU 46 -0.299 -14.557 -7.657 331 1HG GLU 46 1HG GLU 46 -2.019 -12.099 -7.405 332 2HG GLU 46 2HG GLU 46 -1.529 -12.567 -9.021 333 HE2 GLU 46 HE GLU 46 -4.062 -12.694 -8.328 334 H ASP 47 H ASP 47 -1.118 -15.659 -5.562 335 HA ASP 47 HA ASP 47 1.451 -16.507 -4.515 336 1HB ASP 47 1HB ASP 47 0.255 -17.811 -2.729 337 2HB ASP 47 2HB ASP 47 0.110 -16.076 -2.529 338 HD2 ASP 47 HD ASP 47 -1.577 -18.902 -2.791 339 H VAL 48 H VAL 48 2.007 -18.572 -5.324 340 HA VAL 48 HA VAL 48 -0.134 -20.264 -6.335 341 HB VAL 48 HB VAL 48 2.222 -19.334 -7.989 342 1HG1 VAL 48 1HG1 VAL 48 0.414 -21.656 -8.210 343 2HG1 VAL 48 2HG1 VAL 48 0.557 -20.685 -9.695 344 3HG1 VAL 48 3HG1 VAL 48 2.014 -21.370 -8.935 345 1HG2 VAL 48 1HG2 VAL 48 0.770 -17.587 -8.260 346 2HG2 VAL 48 2HG2 VAL 48 0.113 -18.689 -9.493 347 3HG2 VAL 48 3HG2 VAL 48 -0.667 -18.573 -7.898 348 H LYS 49 H LYS 49 0.157 -22.116 -5.208 349 HA LYS 49 HA LYS 49 2.773 -22.771 -4.219 350 1HB LYS 49 1HB LYS 49 1.702 -24.224 -2.809 351 2HB LYS 49 2HB LYS 49 0.416 -23.069 -3.098 352 1HG LYS 49 1HG LYS 49 -0.102 -24.721 -5.170 353 2HG LYS 49 2HG LYS 49 0.720 -25.879 -4.144 354 1HD LYS 49 1HD LYS 49 -1.343 -26.168 -3.194 355 2HD LYS 49 2HD LYS 49 -0.948 -24.713 -2.301 356 1HE LYS 49 1HE LYS 49 -1.938 -23.781 -4.792 357 2HE LYS 49 2HE LYS 49 -2.990 -25.116 -4.365 358 1HZ LYS 49 1HZ LYS 49 -2.361 -23.225 -2.228 359 2HZ LYS 49 2HZ LYS 49 -3.358 -22.686 -3.397 360 H ASP 50 H ASP 50 0.960 -23.293 -7.107 361 HA ASP 50 HA ASP 50 1.604 -25.832 -7.796 362 1HB ASP 50 1HB ASP 50 1.170 -23.264 -9.300 363 2HB ASP 50 2HB ASP 50 1.849 -24.600 -10.209 364 HD2 ASP 50 HD ASP 50 -0.964 -23.781 -10.814 365 H CYS 51 H CYS 51 3.591 -22.865 -7.707 366 HA CYS 51 HA CYS 51 5.686 -23.752 -9.325 367 1HB CYS 51 1HB CYS 51 5.047 -21.403 -8.169 368 2HB CYS 51 2HB CYS 51 6.299 -21.932 -7.063 369 H LEU 52 H LEU 52 7.876 -23.214 -7.310 370 HA LEU 52 HA LEU 52 7.596 -25.391 -5.428 371 1HB LEU 52 1HB LEU 52 8.820 -25.788 -7.961 372 2HB LEU 52 2HB LEU 52 10.094 -25.778 -6.758 373 HG LEU 52 HG LEU 52 8.186 -27.402 -5.588 374 1HD1 LEU 52 1HD1 LEU 52 7.737 -29.090 -7.451 375 2HD1 LEU 52 2HD1 LEU 52 6.752 -27.608 -7.434 376 3HD1 LEU 52 3HD1 LEU 52 8.103 -27.766 -8.582 377 1HD2 LEU 52 1HD2 LEU 52 9.876 -29.161 -6.906 378 2HD2 LEU 52 2HD2 LEU 52 10.826 -27.658 -6.797 379 3HD2 LEU 52 3HD2 LEU 52 10.159 -28.399 -5.322 380 H SER 53 H SER 53 10.193 -23.368 -6.980 381 HA SER 53 HA SER 53 11.150 -22.780 -4.331 382 1HB SER 53 1HB SER 53 12.205 -22.470 -7.134 383 2HB SER 53 2HB SER 53 12.856 -21.412 -5.898 384 HG SER 53 HG SER 53 14.083 -23.402 -6.122 385 HA PRO 54 HA PRO 54 8.954 -18.976 -4.456 386 1HB PRO 54 1HB PRO 54 9.569 -18.122 -1.934 387 2HB PRO 54 2HB PRO 54 8.240 -19.210 -2.279 388 1HG PRO 54 1HG PRO 54 10.873 -19.823 -1.083 389 2HG PRO 54 2HG PRO 54 9.403 -20.776 -1.047 390 1HD PRO 54 1HD PRO 54 11.707 -21.238 -2.690 391 2HD PRO 54 2HD PRO 54 10.194 -22.119 -2.737 392 H GLU 55 H GLU 55 9.284 -16.835 -4.973 393 HA GLU 55 HA GLU 55 11.841 -15.757 -4.372 394 1HB GLU 55 1HB GLU 55 11.833 -17.261 -6.657 395 2HB GLU 55 2HB GLU 55 11.341 -15.713 -7.317 396 1HG GLU 55 1HG GLU 55 13.325 -14.611 -6.374 397 2HG GLU 55 2HG GLU 55 13.777 -16.067 -5.510 398 HE2 GLU 55 HE GLU 55 15.845 -16.568 -7.076 399 H ILE 56 H ILE 56 11.557 -13.587 -4.021 400 HA ILE 56 HA ILE 56 9.005 -12.461 -4.762 401 HB ILE 56 HB ILE 56 10.528 -12.263 -2.551 402 1HG1 ILE 56 1HG1 ILE 56 8.732 -10.004 -3.454 403 2HG1 ILE 56 2HG1 ILE 56 8.109 -11.587 -3.029 404 1HG2 ILE 56 1HG2 ILE 56 11.129 -9.744 -4.126 405 2HG2 ILE 56 2HG2 ILE 56 11.526 -10.045 -2.417 406 3HG2 ILE 56 3HG2 ILE 56 12.303 -11.012 -3.694 407 1HD1 ILE 56 1HD1 ILE 56 9.941 -10.032 -1.158 408 2HD1 ILE 56 2HD1 ILE 56 8.171 -9.834 -1.143 409 3HD1 ILE 56 3HD1 ILE 56 8.892 -11.418 -0.767 410 HA PRO 57 HA PRO 57 10.706 -10.657 -8.339 411 1HB PRO 57 1HB PRO 57 8.438 -9.428 -9.239 412 2HB PRO 57 2HB PRO 57 8.809 -11.110 -9.564 413 1HG PRO 57 1HG PRO 57 6.852 -9.978 -7.659 414 2HG PRO 57 2HG PRO 57 6.943 -11.606 -8.302 415 1HD PRO 57 1HD PRO 57 7.746 -10.746 -5.685 416 2HD PRO 57 2HD PRO 57 7.943 -12.348 -6.369 417 H PHE 58 H PHE 58 12.150 -9.067 -8.302 418 HA PHE 58 HA PHE 58 13.051 -7.178 -7.491 419 1HB PHE 58 1HB PHE 58 11.625 -6.769 -9.665 420 2HB PHE 58 2HB PHE 58 10.426 -6.044 -8.611 421 HD1 PHE 58 1HD PHE 58 14.100 -5.791 -9.258 422 HD2 PHE 58 2HD PHE 58 10.480 -3.755 -8.386 423 HE1 PHE 58 1HE PHE 58 15.302 -3.592 -9.404 424 HE2 PHE 58 2HE PHE 58 11.683 -1.557 -8.531 425 HZ PHE 58 HZ PHE 58 14.078 -1.502 -9.039 426 H GLY 59 H GLY 59 11.735 -8.396 -5.329 427 1HA GLY 59 1HA GLY 59 10.919 -7.953 -3.284 428 2HA GLY 59 2HA GLY 59 11.471 -6.308 -3.521 429 H GLU 60 H GLU 60 8.788 -8.100 -2.762 430 HA GLU 60 HA GLU 60 7.068 -5.974 -3.741 431 1HB GLU 60 1HB GLU 60 6.393 -8.947 -3.867 432 2HB GLU 60 2HB GLU 60 5.288 -7.645 -4.261 433 1HG GLU 60 1HG GLU 60 7.831 -7.345 -5.700 434 2HG GLU 60 2HG GLU 60 7.108 -8.909 -6.018 435 HE2 GLU 60 HE GLU 60 6.466 -5.445 -6.610 436 H CYS 61 H CYS 61 6.557 -9.074 -1.916 437 HA CYS 61 HA CYS 61 6.554 -7.933 0.603 438 1HB CYS 61 1HB CYS 61 4.504 -6.782 -0.482 439 2HB CYS 61 2HB CYS 61 3.714 -8.335 -0.303 440 H CYS 62 H CYS 62 5.187 -10.278 -1.743 441 HA CYS 62 HA CYS 62 5.304 -12.321 0.349 442 1HB CYS 62 1HB CYS 62 3.971 -12.832 -2.269 443 2HB CYS 62 2HB CYS 62 3.619 -13.485 -0.681 444 HA PRO 63 HA PRO 63 8.867 -13.348 -2.119 445 1HB PRO 63 1HB PRO 63 10.221 -14.701 -0.169 446 2HB PRO 63 2HB PRO 63 10.374 -12.974 -0.419 447 1HG PRO 63 1HG PRO 63 8.911 -14.416 1.706 448 2HG PRO 63 2HG PRO 63 9.430 -12.742 1.672 449 1HD PRO 63 1HD PRO 63 6.770 -13.724 1.238 450 2HD PRO 63 2HD PRO 63 7.312 -12.064 1.090 451 H ILE 64 H ILE 64 6.954 -14.569 -3.160 452 HA ILE 64 HA ILE 64 7.719 -17.380 -2.907 453 HB ILE 64 HB ILE 64 5.496 -18.136 -2.818 454 1HG1 ILE 64 1HG1 ILE 64 4.747 -15.297 -3.477 455 2HG1 ILE 64 2HG1 ILE 64 4.288 -16.779 -4.291 456 1HG2 ILE 64 1HG2 ILE 64 4.818 -17.457 -0.676 457 2HG2 ILE 64 2HG2 ILE 64 6.579 -17.201 -0.700 458 3HG2 ILE 64 3HG2 ILE 64 5.476 -15.817 -0.887 459 1HD1 ILE 64 1HD1 ILE 64 2.870 -17.448 -2.398 460 2HD1 ILE 64 2HD1 ILE 64 3.417 -16.037 -1.460 461 3HD1 ILE 64 3HD1 ILE 64 2.425 -15.805 -2.921 462 H CYS 65 H CYS 65 6.458 -18.597 -4.864 463 HA CYS 65 HA CYS 65 7.249 -17.043 -7.193 464 1HB CYS 65 1HB CYS 65 8.325 -19.165 -7.036 465 2HB CYS 65 2HB CYS 65 6.809 -19.996 -6.749 466 HA PRO 66 HA PRO 66 2.920 -16.541 -7.848 467 1HB PRO 66 1HB PRO 66 3.087 -14.799 -9.947 468 2HB PRO 66 2HB PRO 66 3.139 -14.289 -8.272 469 1HG PRO 66 1HG PRO 66 5.354 -14.485 -10.219 470 2HG PRO 66 2HG PRO 66 5.295 -13.596 -8.710 471 1HD PRO 66 1HD PRO 66 6.638 -16.086 -9.183 472 2HD PRO 66 2HD PRO 66 6.480 -15.256 -7.648 473 H ALA 67 H ALA 67 1.382 -16.499 -9.899 474 HA ALA 67 HA ALA 67 1.502 -19.057 -10.913 475 1HB ALA 67 1HB ALA 67 -0.028 -16.587 -11.334 476 2HB ALA 67 2HB ALA 67 0.111 -17.569 -12.812 477 3HB ALA 67 3HB ALA 67 -0.576 -18.281 -11.332 478 H ASP 68 H ASP 68 2.379 -15.950 -12.595 479 HA ASP 68 HA ASP 68 4.717 -16.896 -13.633 480 1HB ASP 68 1HB ASP 68 2.335 -17.791 -15.113 481 2HB ASP 68 2HB ASP 68 3.393 -16.835 -16.130 482 HD2 ASP 68 HD ASP 68 3.832 -18.737 -17.298 483 H LEU 69 H LEU 69 5.104 -14.629 -13.026 484 HA LEU 69 HA LEU 69 5.160 -12.431 -13.283 485 1HB LEU 69 1HB LEU 69 4.866 -13.217 -16.185 486 2HB LEU 69 2HB LEU 69 5.330 -11.621 -15.629 487 HG LEU 69 HG LEU 69 6.958 -13.905 -14.628 488 1HD1 LEU 69 1HD1 LEU 69 6.383 -13.757 -17.372 489 2HD1 LEU 69 2HD1 LEU 69 8.006 -13.050 -17.180 490 3HD1 LEU 69 3HD1 LEU 69 7.672 -14.692 -16.576 491 1HD2 LEU 69 1HD2 LEU 69 8.258 -12.220 -14.013 492 2HD2 LEU 69 2HD2 LEU 69 8.487 -11.768 -15.718 493 3HD2 LEU 69 3HD2 LEU 69 7.147 -11.062 -14.783 494 H ALA 70 H ALA 70 3.921 -10.455 -14.580 495 HA ALA 70 HA ALA 70 1.352 -10.472 -13.479 496 1HB ALA 70 1HB ALA 70 1.272 -8.267 -14.206 497 2HB ALA 70 2HB ALA 70 3.029 -8.548 -14.185 498 3HB ALA 70 3HB ALA 70 2.135 -8.622 -15.721 499 H ALA 71 H ALA 71 -0.724 -10.149 -14.710 500 HA ALA 71 HA ALA 71 -1.386 -12.278 -16.221 501 1HB ALA 71 1HB ALA 71 -2.596 -9.568 -16.791 502 2HB ALA 71 2HB ALA 71 -3.398 -11.151 -16.646 503 3HB ALA 71 3HB ALA 71 -2.788 -10.326 -15.192 504 H ALA 72 H ALA 72 -0.472 -13.069 -18.049 505 HA ALA 72 HA ALA 72 0.977 -11.371 -19.811 506 1HB ALA 72 1HB ALA 72 1.397 -13.431 -21.029 507 2HB ALA 72 2HB ALA 72 1.528 -13.762 -19.284 508 3HB ALA 72 3HB ALA 72 0.068 -14.253 -20.176 509 H ALA 73 H ALA 73 0.464 -11.746 -22.334 510 HA ALA 73 HA ALA 73 -1.975 -10.406 -22.774 511 1HB ALA 73 1HB ALA 73 0.044 -10.119 -24.164 512 2HB ALA 73 2HB ALA 73 -0.080 -11.811 -24.701 513 3HB ALA 73 3HB ALA 73 -1.342 -10.640 -25.150 Start of MODEL 20 1 1H TYR 1 H TYR 1 -4.634 16.981 14.266 2 HA TYR 1 HA TYR 1 -6.506 14.978 14.803 3 1HB TYR 1 1HB TYR 1 -6.580 16.776 16.810 4 2HB TYR 1 2HB TYR 1 -7.398 17.785 15.634 5 HD1 TYR 1 1HD TYR 1 -9.465 16.637 14.413 6 HD2 TYR 1 2HD TYR 1 -7.854 15.382 18.173 7 HE1 TYR 1 1HE TYR 1 -11.670 15.510 14.989 8 HE2 TYR 1 2HE TYR 1 -10.064 14.259 18.736 9 HH TYR 1 HH TYR 1 -12.880 14.717 16.733 10 H VAL 2 H VAL 2 -6.267 18.483 13.873 11 HA VAL 2 HA VAL 2 -7.568 17.726 11.349 12 HB VAL 2 HB VAL 2 -9.023 19.019 12.893 13 1HG1 VAL 2 1HG1 VAL 2 -6.755 20.464 13.482 14 2HG1 VAL 2 2HG1 VAL 2 -7.643 21.572 12.407 15 3HG1 VAL 2 3HG1 VAL 2 -8.421 20.948 13.881 16 1HG2 VAL 2 1HG2 VAL 2 -8.746 21.030 10.824 17 2HG2 VAL 2 2HG2 VAL 2 -8.554 19.396 10.148 18 3HG2 VAL 2 3HG2 VAL 2 -10.023 19.814 11.062 19 H GLU 3 H GLU 3 -6.654 18.547 9.449 20 HA GLU 3 HA GLU 3 -4.776 20.603 9.475 21 1HB GLU 3 1HB GLU 3 -3.691 18.105 10.277 22 2HB GLU 3 2HB GLU 3 -3.178 18.317 8.615 23 1HG GLU 3 1HG GLU 3 -2.299 20.590 9.169 24 2HG GLU 3 2HG GLU 3 -2.827 20.394 10.829 25 HE2 GLU 3 HE GLU 3 0.237 20.225 10.949 26 H PHE 4 H PHE 4 -5.043 21.501 7.479 27 HA PHE 4 HA PHE 4 -5.192 19.730 5.187 28 1HB PHE 4 1HB PHE 4 -7.538 20.336 6.263 29 2HB PHE 4 2HB PHE 4 -7.230 21.965 5.695 30 HD1 PHE 4 1HD PHE 4 -7.862 22.572 3.542 31 HD2 PHE 4 2HD PHE 4 -7.429 18.454 4.469 32 HE1 PHE 4 1HE PHE 4 -8.802 21.968 1.295 33 HE2 PHE 4 2HE PHE 4 -8.370 17.850 2.222 34 HZ PHE 4 HZ PHE 4 -9.045 19.613 0.662 35 H GLN 5 H GLN 5 -3.494 20.514 4.012 36 HA GLN 5 HA GLN 5 -3.683 23.155 3.042 37 1HB GLN 5 1HB GLN 5 -1.554 24.022 3.913 38 2HB GLN 5 2HB GLN 5 -2.638 23.644 5.236 39 1HG GLN 5 1HG GLN 5 -1.485 21.435 5.537 40 2HG GLN 5 2HG GLN 5 -0.392 21.834 4.227 41 1HE2 GLN 5 1HE2 GLN 5 1.168 21.419 5.981 42 2HE2 GLN 5 2HE2 GLN 5 1.660 22.733 6.998 43 H GLU 6 H GLU 6 -2.019 23.574 1.332 44 HA GLU 6 HA GLU 6 -0.895 22.965 -0.422 45 1HB GLU 6 1HB GLU 6 0.235 20.994 1.583 46 2HB GLU 6 2HB GLU 6 0.768 20.956 -0.086 47 1HG GLU 6 1HG GLU 6 0.717 23.659 1.206 48 2HG GLU 6 2HG GLU 6 1.913 22.539 1.830 49 HE2 GLU 6 HE GLU 6 1.067 24.187 -1.243 50 H ALA 7 H ALA 7 -0.825 21.426 -2.257 51 HA ALA 7 HA ALA 7 -2.214 18.944 -2.017 52 1HB ALA 7 1HB ALA 7 -3.969 19.754 -3.766 53 2HB ALA 7 2HB ALA 7 -4.226 20.159 -2.052 54 3HB ALA 7 3HB ALA 7 -3.579 21.385 -3.169 55 H GLY 8 H GLY 8 -0.307 18.088 -2.933 56 1HA GLY 8 1HA GLY 8 -0.012 17.444 -5.419 57 2HA GLY 8 2HA GLY 8 0.463 19.123 -5.576 58 H SER 9 H SER 9 2.075 19.817 -3.603 59 HA SER 9 HA SER 9 4.338 18.169 -4.038 60 1HB SER 9 1HB SER 9 4.039 20.553 -2.159 61 2HB SER 9 2HB SER 9 5.547 19.880 -2.747 62 HG SER 9 HG SER 9 5.359 21.204 -4.408 63 H CYS 10 H CYS 10 4.839 16.373 -2.841 64 HA CYS 10 HA CYS 10 3.820 16.313 -0.094 65 1HB CYS 10 1HB CYS 10 3.814 14.309 -2.253 66 2HB CYS 10 2HB CYS 10 4.359 13.700 -0.703 67 H VAL 11 H VAL 11 5.339 15.886 1.546 68 HA VAL 11 HA VAL 11 8.118 15.825 0.642 69 HB VAL 11 HB VAL 11 6.816 16.548 3.272 70 1HG1 VAL 11 1HG1 VAL 11 9.445 15.583 2.838 71 2HG1 VAL 11 2HG1 VAL 11 9.580 17.339 3.098 72 3HG1 VAL 11 3HG1 VAL 11 8.774 16.319 4.313 73 1HG2 VAL 11 1HG2 VAL 11 6.504 18.478 2.143 74 2HG2 VAL 11 2HG2 VAL 11 8.238 18.731 2.456 75 3HG2 VAL 11 3HG2 VAL 11 7.703 18.065 0.894 76 H GLN 12 H GLN 12 8.999 13.833 0.460 77 HA GLN 12 HA GLN 12 8.312 11.949 2.574 78 1HB GLN 12 1HB GLN 12 7.482 11.661 -0.052 79 2HB GLN 12 2HB GLN 12 8.977 10.744 -0.057 80 1HG GLN 12 1HG GLN 12 6.897 10.352 2.130 81 2HG GLN 12 2HG GLN 12 6.778 9.501 0.603 82 1HE2 GLN 12 1HE2 GLN 12 7.122 8.335 3.158 83 2HE2 GLN 12 2HE2 GLN 12 8.629 7.483 3.193 84 H ASP 13 H ASP 13 10.199 12.098 3.779 85 HA ASP 13 HA ASP 13 12.252 11.600 4.316 86 1HB ASP 13 1HB ASP 13 11.938 10.106 1.915 87 2HB ASP 13 2HB ASP 13 13.463 10.948 1.731 88 HD2 ASP 13 HD ASP 13 15.315 9.487 3.168 89 H GLY 14 H GLY 14 11.180 13.991 2.361 90 1HA GLY 14 1HA GLY 14 12.215 16.115 2.373 91 2HA GLY 14 2HA GLY 14 13.791 15.351 2.296 92 H GLN 15 H GLN 15 11.246 13.965 0.300 93 HA GLN 15 HA GLN 15 12.461 15.296 -1.996 94 1HB GLN 15 1HB GLN 15 11.692 12.426 -1.517 95 2HB GLN 15 2HB GLN 15 11.506 13.055 -3.142 96 1HG GLN 15 1HG GLN 15 13.715 12.522 -3.385 97 2HG GLN 15 2HG GLN 15 14.014 14.014 -2.516 98 1HE2 GLN 15 1HE2 GLN 15 13.445 10.546 -2.115 99 2HE2 GLN 15 2HE2 GLN 15 14.370 10.325 -0.668 100 H ARG 16 H ARG 16 11.090 16.551 -3.190 101 HA ARG 16 HA ARG 16 8.337 16.512 -2.469 102 1HB ARG 16 1HB ARG 16 9.490 18.665 -2.858 103 2HB ARG 16 2HB ARG 16 9.911 18.185 -4.490 104 1HG ARG 16 1HG ARG 16 7.242 17.845 -4.690 105 2HG ARG 16 2HG ARG 16 7.233 19.011 -3.383 106 1HD ARG 16 1HD ARG 16 7.938 20.738 -4.737 107 2HD ARG 16 2HD ARG 16 9.066 19.725 -5.616 108 HE ARG 16 HE ARG 16 6.312 19.027 -6.236 109 1HH1 ARG 16 2HH2 ARG 16 8.873 21.358 -6.985 110 2HH1 ARG 16 1HH2 ARG 16 8.236 21.743 -8.550 111 1HH2 ARG 16 1HH ARG 16 6.235 20.660 -9.300 112 H TYR 17 H TYR 17 6.730 15.410 -3.564 113 HA TYR 17 HA TYR 17 7.322 14.595 -6.327 114 1HB TYR 17 1HB TYR 17 6.037 13.119 -3.948 115 2HB TYR 17 2HB TYR 17 5.958 12.500 -5.586 116 HD1 TYR 17 1HD TYR 17 7.872 12.607 -2.567 117 HD2 TYR 17 2HD TYR 17 8.201 12.027 -6.794 118 HE1 TYR 17 1HE TYR 17 10.104 11.433 -2.240 119 HE2 TYR 17 2HE TYR 17 10.431 10.856 -6.452 120 HH TYR 17 HH TYR 17 11.405 9.485 -4.118 121 H ASN 18 H ASN 18 5.514 14.489 -7.754 122 HA ASN 18 HA ASN 18 3.632 16.432 -7.356 123 1HB ASN 18 1HB ASN 18 4.358 14.627 -9.413 124 2HB ASN 18 2HB ASN 18 2.674 14.252 -9.102 125 1HD2 ASN 18 1HD2 ASN 18 4.958 16.575 -10.252 126 2HD2 ASN 18 2HD2 ASN 18 3.850 17.743 -10.891 127 H ASP 19 H ASP 19 1.136 15.106 -8.157 128 HA ASP 19 HA ASP 19 0.372 14.144 -5.571 129 1HB ASP 19 1HB ASP 19 -1.933 14.004 -6.866 130 2HB ASP 19 2HB ASP 19 -1.278 15.566 -6.414 131 HD2 ASP 19 HD ASP 19 -2.395 13.819 -9.062 132 H LYS 20 H LYS 20 -0.170 13.096 -9.030 133 HA LYS 20 HA LYS 20 -0.854 10.457 -8.292 134 1HB LYS 20 1HB LYS 20 -0.613 12.053 -10.741 135 2HB LYS 20 2HB LYS 20 -0.141 10.381 -10.969 136 1HG LYS 20 1HG LYS 20 -2.267 9.552 -10.258 137 2HG LYS 20 2HG LYS 20 -2.696 11.058 -9.473 138 1HD LYS 20 1HD LYS 20 -3.785 11.661 -11.369 139 2HD LYS 20 2HD LYS 20 -2.227 11.794 -12.159 140 1HE LYS 20 1HE LYS 20 -2.824 9.004 -12.101 141 2HE LYS 20 2HE LYS 20 -4.317 9.799 -12.559 142 1HZ LYS 20 1HZ LYS 20 -1.691 10.152 -13.902 143 2HZ LYS 20 2HZ LYS 20 -2.993 9.395 -14.522 144 H ASP 21 H ASP 21 2.105 12.123 -8.269 145 HA ASP 21 HA ASP 21 3.841 10.279 -9.316 146 1HB ASP 21 1HB ASP 21 3.959 12.510 -7.339 147 2HB ASP 21 2HB ASP 21 5.248 11.333 -7.178 148 HD2 ASP 21 HD ASP 21 6.832 13.486 -9.318 149 H VAL 22 H VAL 22 4.016 8.120 -8.693 150 HA VAL 22 HA VAL 22 3.414 7.465 -5.907 151 HB VAL 22 HB VAL 22 3.656 5.716 -8.363 152 1HG1 VAL 22 1HG1 VAL 22 3.049 3.884 -7.082 153 2HG1 VAL 22 2HG1 VAL 22 4.103 4.773 -5.956 154 3HG1 VAL 22 3HG1 VAL 22 2.333 4.883 -5.795 155 1HG2 VAL 22 1HG2 VAL 22 1.020 5.674 -7.395 156 2HG2 VAL 22 2HG2 VAL 22 1.499 7.389 -7.384 157 3HG2 VAL 22 3HG2 VAL 22 1.611 6.443 -8.888 158 H TRP 23 H TRP 23 4.905 6.367 -4.585 159 HA TRP 23 HA TRP 23 7.569 5.985 -5.748 160 1HB TRP 23 1HB TRP 23 8.626 7.011 -3.855 161 2HB TRP 23 2HB TRP 23 7.553 8.159 -4.631 162 HD1 TRP 23 HD TRP 23 7.813 6.075 -1.384 163 HE1 TRP 23 1HE TRP 23 6.244 7.053 0.500 164 HE3 TRP 23 3HE TRP 23 5.509 9.503 -4.350 165 HZ2 TRP 23 2HZ TRP 23 4.260 9.104 0.536 166 HZ3 TRP 23 3HZ TRP 23 3.768 10.953 -3.312 167 HH2 TRP 23 HH TRP 23 3.133 10.796 -0.957 168 H LYS 24 H LYS 24 8.778 4.276 -4.687 169 HA LYS 24 HA LYS 24 7.036 2.537 -3.087 170 1HB LYS 24 1HB LYS 24 8.083 1.935 -5.483 171 2HB LYS 24 2HB LYS 24 9.444 1.465 -4.486 172 1HG LYS 24 1HG LYS 24 8.367 -0.482 -4.049 173 2HG LYS 24 2HG LYS 24 7.199 0.432 -3.115 174 1HD LYS 24 1HD LYS 24 5.619 -0.193 -4.618 175 2HD LYS 24 2HD LYS 24 6.401 0.850 -5.789 176 1HE LYS 24 1HE LYS 24 8.040 -1.302 -6.017 177 2HE LYS 24 2HE LYS 24 6.598 -2.134 -5.471 178 1HZ LYS 24 1HZ LYS 24 5.398 -0.899 -7.306 179 2HZ LYS 24 2HZ LYS 24 6.847 -0.424 -7.879 180 HA PRO 25 HA PRO 25 10.032 3.708 -0.059 181 1HB PRO 25 1HB PRO 25 8.456 3.235 2.123 182 2HB PRO 25 2HB PRO 25 8.505 4.777 1.292 183 1HG PRO 25 1HG PRO 25 6.407 2.695 1.213 184 2HG PRO 25 2HG PRO 25 6.297 4.382 0.752 185 1HD PRO 25 1HD PRO 25 6.508 2.132 -1.013 186 2HD PRO 25 2HD PRO 25 6.514 3.824 -1.467 187 H GLU 26 H GLU 26 7.981 0.858 0.212 188 HA GLU 26 HA GLU 26 10.423 -0.612 0.728 189 1HB GLU 26 1HB GLU 26 7.949 -0.607 2.490 190 2HB GLU 26 2HB GLU 26 9.047 -1.972 2.472 191 1HG GLU 26 1HG GLU 26 10.951 -0.316 2.957 192 2HG GLU 26 2HG GLU 26 9.724 0.912 3.205 193 HE2 GLU 26 HE GLU 26 10.029 1.078 5.382 194 HA PRO 27 HA PRO 27 8.538 -3.405 -2.006 195 1HB PRO 27 1HB PRO 27 9.888 -5.718 -1.458 196 2HB PRO 27 2HB PRO 27 10.544 -4.439 -2.462 197 1HG PRO 27 1HG PRO 27 11.241 -5.154 0.321 198 2HG PRO 27 2HG PRO 27 12.150 -4.189 -0.824 199 1HD PRO 27 1HD PRO 27 10.603 -3.220 1.388 200 2HD PRO 27 2HD PRO 27 11.416 -2.253 0.174 201 H CYS 28 H CYS 28 6.759 -2.843 -0.124 202 HA CYS 28 HA CYS 28 5.299 -5.248 -0.056 203 1HB CYS 28 1HB CYS 28 6.862 -5.775 1.767 204 2HB CYS 28 2HB CYS 28 6.389 -4.310 2.606 205 H ARG 29 H ARG 29 5.989 -1.939 1.145 206 HA ARG 29 HA ARG 29 3.117 -1.465 1.042 207 1HB ARG 29 1HB ARG 29 4.251 -1.342 3.370 208 2HB ARG 29 2HB ARG 29 5.090 0.082 2.788 209 1HG ARG 29 1HG ARG 29 3.238 1.127 3.703 210 2HG ARG 29 2HG ARG 29 2.606 0.843 2.093 211 1HD ARG 29 1HD ARG 29 1.218 -0.915 2.789 212 2HD ARG 29 2HD ARG 29 2.258 -1.357 4.128 213 HE ARG 29 HE ARG 29 0.998 1.301 4.367 214 1HH1 ARG 29 2HH2 ARG 29 0.771 -2.145 5.160 215 2HH1 ARG 29 1HH2 ARG 29 -0.318 -1.898 6.483 216 1HH2 ARG 29 1HH ARG 29 -1.017 0.330 7.025 217 H ILE 30 H ILE 30 2.456 0.243 -0.286 218 HA ILE 30 HA ILE 30 4.629 1.829 -1.468 219 HB ILE 30 HB ILE 30 3.359 1.954 -3.472 220 1HG1 ILE 30 1HG1 ILE 30 1.171 0.141 -2.705 221 2HG1 ILE 30 2HG1 ILE 30 1.120 1.692 -1.892 222 1HG2 ILE 30 1HG2 ILE 30 3.643 -0.205 -4.250 223 2HG2 ILE 30 2HG2 ILE 30 4.685 -0.183 -2.806 224 3HG2 ILE 30 3HG2 ILE 30 3.078 -0.944 -2.732 225 1HD1 ILE 30 1HD1 ILE 30 1.670 2.582 -4.387 226 2HD1 ILE 30 2HD1 ILE 30 0.846 1.062 -4.811 227 3HD1 ILE 30 3HD1 ILE 30 0.006 2.285 -3.829 228 H CYS 31 H CYS 31 4.152 4.097 -1.943 229 HA CYS 31 HA CYS 31 1.860 5.136 -0.479 230 1HB CYS 31 1HB CYS 31 4.628 5.398 0.343 231 2HB CYS 31 2HB CYS 31 3.923 6.967 0.015 232 H VAL 32 H VAL 32 1.100 7.161 -1.372 233 HA VAL 32 HA VAL 32 2.598 8.344 -3.530 234 HB VAL 32 HB VAL 32 1.594 6.642 -4.802 235 1HG1 VAL 32 1HG1 VAL 32 -1.232 7.045 -4.236 236 2HG1 VAL 32 2HG1 VAL 32 -0.273 5.546 -4.243 237 3HG1 VAL 32 3HG1 VAL 32 -0.336 6.556 -2.778 238 1HG2 VAL 32 1HG2 VAL 32 1.404 8.801 -5.867 239 2HG2 VAL 32 2HG2 VAL 32 -0.067 7.861 -6.215 240 3HG2 VAL 32 3HG2 VAL 32 -0.105 9.151 -4.988 241 H CYS 33 H CYS 33 1.874 10.487 -4.004 242 HA CYS 33 HA CYS 33 0.434 11.635 -1.812 243 1HB CYS 33 1HB CYS 33 2.490 12.613 -2.951 244 2HB CYS 33 2HB CYS 33 1.437 13.049 -4.283 245 H ASP 34 H ASP 34 -1.501 10.140 -2.556 246 HA ASP 34 HA ASP 34 -2.838 10.869 -4.907 247 1HB ASP 34 1HB ASP 34 -3.014 8.794 -3.132 248 2HB ASP 34 2HB ASP 34 -4.388 9.743 -2.600 249 HD2 ASP 34 HD ASP 34 -6.399 8.437 -4.801 250 H THR 35 H THR 35 -4.105 12.708 -5.221 251 HA THR 35 HA THR 35 -5.275 14.553 -4.803 252 HB THR 35 HB THR 35 -6.202 13.198 -2.229 253 HG1 THR 35 1HG THR 35 -7.100 12.859 -4.999 254 1HG2 THR 35 1HG2 THR 35 -7.419 15.079 -4.299 255 2HG2 THR 35 2HG2 THR 35 -8.444 14.074 -3.247 256 3HG2 THR 35 3HG2 THR 35 -7.354 15.286 -2.532 257 H GLY 36 H GLY 36 -2.478 14.224 -3.754 258 1HA GLY 36 1HA GLY 36 -1.113 15.833 -2.859 259 2HA GLY 36 2HA GLY 36 -2.497 16.650 -2.160 260 H THR 37 H THR 37 -3.303 13.686 -1.225 261 HA THR 37 HA THR 37 -1.871 13.944 1.309 262 HB THR 37 HB THR 37 -4.424 12.567 0.361 263 HG1 THR 37 1HG THR 37 -4.411 14.857 0.964 264 1HG2 THR 37 1HG2 THR 37 -4.507 11.254 2.237 265 2HG2 THR 37 2HG2 THR 37 -2.757 11.542 2.398 266 3HG2 THR 37 3HG2 THR 37 -3.914 12.582 3.265 267 H VAL 38 H VAL 38 -0.615 12.339 2.234 268 HA VAL 38 HA VAL 38 0.484 10.493 0.301 269 HB VAL 38 HB VAL 38 1.209 11.204 3.149 270 1HG1 VAL 38 1HG1 VAL 38 3.441 10.028 2.196 271 2HG1 VAL 38 2HG1 VAL 38 2.183 9.150 3.098 272 3HG1 VAL 38 3HG1 VAL 38 2.213 9.083 1.320 273 1HG2 VAL 38 1HG2 VAL 38 3.210 12.241 2.010 274 2HG2 VAL 38 2HG2 VAL 38 2.371 11.987 0.460 275 3HG2 VAL 38 3HG2 VAL 38 1.656 13.049 1.696 276 H LEU 39 H LEU 39 -1.123 8.926 -0.058 277 HA LEU 39 HA LEU 39 -2.001 7.476 2.332 278 1HB LEU 39 1HB LEU 39 -3.460 8.532 0.278 279 2HB LEU 39 2HB LEU 39 -3.254 6.877 -0.261 280 HG LEU 39 HG LEU 39 -4.040 6.322 2.215 281 1HD1 LEU 39 1HD1 LEU 39 -5.793 8.694 1.888 282 2HD1 LEU 39 2HD1 LEU 39 -5.204 7.885 3.360 283 3HD1 LEU 39 3HD1 LEU 39 -4.137 8.996 2.468 284 1HD2 LEU 39 1HD2 LEU 39 -6.496 6.828 1.033 285 2HD2 LEU 39 2HD2 LEU 39 -5.388 6.651 -0.348 286 3HD2 LEU 39 3HD2 LEU 39 -5.518 5.352 0.861 287 H CYS 40 H CYS 40 -1.311 5.420 2.714 288 HA CYS 40 HA CYS 40 0.495 4.322 0.709 289 1HB CYS 40 1HB CYS 40 0.463 4.402 3.601 290 2HB CYS 40 2HB CYS 40 0.580 2.748 3.034 291 H ASP 41 H ASP 41 -0.115 2.518 -0.466 292 HA ASP 41 HA ASP 41 -2.657 1.341 0.299 293 1HB ASP 41 1HB ASP 41 -1.093 1.504 -2.301 294 2HB ASP 41 2HB ASP 41 -2.364 0.311 -2.111 295 HD2 ASP 41 HD ASP 41 -4.463 1.084 -2.017 296 H ASP 42 H ASP 42 -2.835 -1.051 0.302 297 HA ASP 42 HA ASP 42 -0.499 -2.270 1.289 298 1HB ASP 42 1HB ASP 42 -2.050 -4.381 1.088 299 2HB ASP 42 2HB ASP 42 -2.469 -3.125 2.238 300 HD2 ASP 42 HD ASP 42 -4.753 -3.819 2.017 301 H ILE 43 H ILE 43 0.370 -4.399 0.328 302 HA ILE 43 HA ILE 43 0.213 -4.301 -2.604 303 HB ILE 43 HB ILE 43 2.528 -5.043 -0.813 304 1HG1 ILE 43 1HG1 ILE 43 2.038 -2.682 -2.647 305 2HG1 ILE 43 2HG1 ILE 43 2.205 -2.651 -0.903 306 1HG2 ILE 43 1HG2 ILE 43 3.813 -5.363 -2.866 307 2HG2 ILE 43 2HG2 ILE 43 2.444 -6.499 -2.778 308 3HG2 ILE 43 3HG2 ILE 43 2.351 -5.072 -3.839 309 1HD1 ILE 43 1HD1 ILE 43 4.537 -3.929 -1.588 310 2HD1 ILE 43 2HD1 ILE 43 4.303 -2.878 -3.004 311 3HD1 ILE 43 3HD1 ILE 43 4.396 -2.167 -1.375 312 H ILE 44 H ILE 44 -0.884 -5.974 -3.463 313 HA ILE 44 HA ILE 44 -1.330 -8.307 -1.816 314 HB ILE 44 HB ILE 44 -2.766 -8.953 -3.809 315 1HG1 ILE 44 1HG1 ILE 44 -2.465 -6.057 -4.612 316 2HG1 ILE 44 2HG1 ILE 44 -1.499 -7.323 -5.345 317 1HG2 ILE 44 1HG2 ILE 44 -3.235 -6.596 -2.007 318 2HG2 ILE 44 2HG2 ILE 44 -4.462 -7.072 -3.205 319 3HG2 ILE 44 3HG2 ILE 44 -3.943 -8.229 -1.955 320 1HD1 ILE 44 1HD1 ILE 44 -3.593 -6.818 -6.636 321 2HD1 ILE 44 2HD1 ILE 44 -3.512 -8.512 -6.093 322 3HD1 ILE 44 3HD1 ILE 44 -4.550 -7.350 -5.232 323 H CYS 45 H CYS 45 0.300 -9.767 -1.714 324 HA CYS 45 HA CYS 45 1.979 -10.107 -4.042 325 1HB CYS 45 1HB CYS 45 3.187 -9.970 -2.032 326 2HB CYS 45 2HB CYS 45 2.111 -11.070 -1.194 327 H GLU 46 H GLU 46 2.447 -12.441 -4.761 328 HA GLU 46 HA GLU 46 0.067 -13.652 -5.473 329 1HB GLU 46 1HB GLU 46 2.983 -14.345 -5.658 330 2HB GLU 46 2HB GLU 46 1.840 -15.645 -5.924 331 1HG GLU 46 1HG GLU 46 2.173 -14.720 -8.090 332 2HG GLU 46 2HG GLU 46 0.633 -14.058 -7.578 333 HE2 GLU 46 HE GLU 46 2.379 -12.918 -9.405 334 H ASP 47 H ASP 47 -0.416 -16.091 -5.032 335 HA ASP 47 HA ASP 47 -0.163 -16.451 -2.155 336 1HB ASP 47 1HB ASP 47 -2.207 -17.777 -2.279 337 2HB ASP 47 2HB ASP 47 -2.481 -16.248 -3.091 338 HD2 ASP 47 HD ASP 47 -4.117 -18.577 -3.922 339 H VAL 48 H VAL 48 -0.925 -19.231 -2.096 340 HA VAL 48 HA VAL 48 -0.151 -21.287 -2.352 341 HB VAL 48 HB VAL 48 1.179 -20.316 -4.886 342 1HG1 VAL 48 1HG1 VAL 48 1.630 -22.465 -5.384 343 2HG1 VAL 48 2HG1 VAL 48 1.424 -22.748 -3.638 344 3HG1 VAL 48 3HG1 VAL 48 0.068 -23.042 -4.753 345 1HG2 VAL 48 1HG2 VAL 48 -1.235 -21.662 -5.486 346 2HG2 VAL 48 2HG2 VAL 48 -1.623 -20.467 -4.225 347 3HG2 VAL 48 3HG2 VAL 48 -0.846 -19.943 -5.740 348 H LYS 49 H LYS 49 1.221 -21.693 -0.685 349 HA LYS 49 HA LYS 49 3.959 -20.666 -0.981 350 1HB LYS 49 1HB LYS 49 2.331 -21.184 1.522 351 2HB LYS 49 2HB LYS 49 4.046 -20.830 1.524 352 1HG LYS 49 1HG LYS 49 3.725 -18.625 0.674 353 2HG LYS 49 2HG LYS 49 2.118 -18.986 0.076 354 1HD LYS 49 1HD LYS 49 1.714 -19.498 2.725 355 2HD LYS 49 2HD LYS 49 3.004 -18.319 2.864 356 1HE LYS 49 1HE LYS 49 1.731 -16.660 1.596 357 2HE LYS 49 2HE LYS 49 0.507 -17.842 1.175 358 1HZ LYS 49 1HZ LYS 49 -0.537 -17.267 3.062 359 2HZ LYS 49 2HZ LYS 49 0.692 -17.863 3.950 360 H ASP 50 H ASP 50 3.261 -22.939 -2.419 361 HA ASP 50 HA ASP 50 4.874 -24.860 -1.009 362 1HB ASP 50 1HB ASP 50 3.338 -26.712 -1.375 363 2HB ASP 50 2HB ASP 50 2.485 -25.458 -0.498 364 HD2 ASP 50 HD ASP 50 -0.050 -25.787 -2.311 365 H CYS 51 H CYS 51 5.514 -23.140 -3.192 366 HA CYS 51 HA CYS 51 5.175 -24.774 -5.574 367 1HB CYS 51 1HB CYS 51 4.640 -22.405 -5.762 368 2HB CYS 51 2HB CYS 51 6.248 -21.968 -5.216 369 H LEU 52 H LEU 52 7.157 -25.237 -6.906 370 HA LEU 52 HA LEU 52 9.080 -26.579 -5.615 371 1HB LEU 52 1HB LEU 52 8.865 -25.261 -8.251 372 2HB LEU 52 2HB LEU 52 10.489 -25.675 -7.742 373 HG LEU 52 HG LEU 52 8.222 -27.677 -7.769 374 1HD1 LEU 52 1HD1 LEU 52 8.701 -26.630 -10.035 375 2HD1 LEU 52 2HD1 LEU 52 10.307 -27.394 -9.937 376 3HD1 LEU 52 3HD1 LEU 52 8.838 -28.401 -9.926 377 1HD2 LEU 52 1HD2 LEU 52 11.209 -28.155 -7.836 378 2HD2 LEU 52 2HD2 LEU 52 10.242 -28.126 -6.341 379 3HD2 LEU 52 3HD2 LEU 52 9.910 -29.347 -7.593 380 H SER 53 H SER 53 9.909 -23.352 -7.045 381 HA SER 53 HA SER 53 11.459 -22.904 -4.614 382 1HB SER 53 1HB SER 53 12.130 -22.434 -7.522 383 2HB SER 53 2HB SER 53 12.838 -21.381 -6.312 384 HG SER 53 HG SER 53 14.254 -22.924 -5.915 385 HA PRO 54 HA PRO 54 8.832 -19.385 -4.467 386 1HB PRO 54 1HB PRO 54 9.638 -18.436 -2.034 387 2HB PRO 54 2HB PRO 54 8.415 -19.677 -2.221 388 1HG PRO 54 1HG PRO 54 11.225 -19.960 -1.349 389 2HG PRO 54 2HG PRO 54 9.893 -21.079 -1.140 390 1HD PRO 54 1HD PRO 54 12.025 -21.285 -3.048 391 2HD PRO 54 2HD PRO 54 10.631 -22.339 -2.916 392 H GLU 55 H GLU 55 8.888 -17.385 -5.322 393 HA GLU 55 HA GLU 55 11.328 -15.931 -4.918 394 1HB GLU 55 1HB GLU 55 11.037 -17.485 -7.257 395 2HB GLU 55 2HB GLU 55 10.653 -15.855 -7.771 396 1HG GLU 55 1HG GLU 55 12.866 -15.371 -6.207 397 2HG GLU 55 2HG GLU 55 13.244 -16.978 -6.794 398 HE2 GLU 55 HE GLU 55 12.641 -13.745 -7.802 399 H ILE 56 H ILE 56 10.905 -13.740 -4.765 400 HA ILE 56 HA ILE 56 8.184 -12.934 -4.867 401 HB ILE 56 HB ILE 56 10.442 -12.134 -3.537 402 1HG1 ILE 56 1HG1 ILE 56 8.047 -10.325 -3.766 403 2HG1 ILE 56 2HG1 ILE 56 7.877 -11.931 -3.084 404 1HG2 ILE 56 1HG2 ILE 56 11.310 -10.876 -5.409 405 2HG2 ILE 56 2HG2 ILE 56 9.768 -10.002 -5.582 406 3HG2 ILE 56 3HG2 ILE 56 10.773 -9.756 -4.134 407 1HD1 ILE 56 1HD1 ILE 56 9.771 -11.392 -1.484 408 2HD1 ILE 56 2HD1 ILE 56 9.746 -9.725 -2.108 409 3HD1 ILE 56 3HD1 ILE 56 8.323 -10.380 -1.263 410 HA PRO 57 HA PRO 57 8.295 -11.895 -9.103 411 1HB PRO 57 1HB PRO 57 5.649 -11.262 -9.368 412 2HB PRO 57 2HB PRO 57 6.261 -12.899 -9.497 413 1HG PRO 57 1HG PRO 57 4.781 -11.644 -7.267 414 2HG PRO 57 2HG PRO 57 5.024 -13.347 -7.602 415 1HD PRO 57 1HD PRO 57 6.379 -11.779 -5.621 416 2HD PRO 57 2HD PRO 57 6.703 -13.451 -6.035 417 H PHE 58 H PHE 58 9.214 -10.143 -9.945 418 HA PHE 58 HA PHE 58 9.903 -8.005 -9.847 419 1HB PHE 58 1HB PHE 58 6.958 -7.288 -10.011 420 2HB PHE 58 2HB PHE 58 8.265 -6.750 -11.049 421 HD1 PHE 58 1HD PHE 58 5.494 -8.911 -10.782 422 HD2 PHE 58 2HD PHE 58 9.323 -8.589 -12.583 423 HE1 PHE 58 1HE PHE 58 4.828 -10.613 -12.503 424 HE2 PHE 58 2HE PHE 58 8.657 -10.290 -14.305 425 HZ PHE 58 HZ PHE 58 6.417 -11.281 -14.244 426 H GLY 59 H GLY 59 9.644 -8.887 -7.167 427 1HA GLY 59 1HA GLY 59 9.497 -8.090 -5.072 428 2HA GLY 59 2HA GLY 59 9.575 -6.484 -5.768 429 H GLU 60 H GLU 60 7.738 -8.423 -3.795 430 HA GLU 60 HA GLU 60 5.386 -6.828 -4.397 431 1HB GLU 60 1HB GLU 60 5.339 -9.818 -3.788 432 2HB GLU 60 2HB GLU 60 3.923 -8.800 -3.969 433 1HG GLU 60 1HG GLU 60 5.744 -8.493 -6.254 434 2HG GLU 60 2HG GLU 60 5.295 -10.172 -6.026 435 HE2 GLU 60 HE GLU 60 3.034 -10.606 -6.028 436 H CYS 61 H CYS 61 6.209 -9.480 -2.049 437 HA CYS 61 HA CYS 61 6.778 -7.812 0.081 438 1HB CYS 61 1HB CYS 61 4.469 -7.046 -0.094 439 2HB CYS 61 2HB CYS 61 3.886 -8.694 0.024 440 H CYS 62 H CYS 62 5.237 -10.811 -1.165 441 HA CYS 62 HA CYS 62 6.643 -12.279 0.948 442 1HB CYS 62 1HB CYS 62 4.980 -13.921 0.945 443 2HB CYS 62 2HB CYS 62 4.126 -12.391 0.957 444 HA PRO 63 HA PRO 63 8.871 -13.594 -2.634 445 1HB PRO 63 1HB PRO 63 10.953 -14.778 -1.316 446 2HB PRO 63 2HB PRO 63 10.912 -13.071 -1.706 447 1HG PRO 63 1HG PRO 63 10.486 -14.385 0.907 448 2HG PRO 63 2HG PRO 63 10.870 -12.708 0.571 449 1HD PRO 63 1HD PRO 63 8.307 -13.770 1.298 450 2HD PRO 63 2HD PRO 63 8.666 -12.115 0.850 451 H ILE 64 H ILE 64 6.975 -14.937 -3.115 452 HA ILE 64 HA ILE 64 7.773 -17.717 -2.661 453 HB ILE 64 HB ILE 64 5.741 -18.384 -1.881 454 1HG1 ILE 64 1HG1 ILE 64 4.573 -15.946 -3.229 455 2HG1 ILE 64 2HG1 ILE 64 4.293 -17.636 -3.602 456 1HG2 ILE 64 1HG2 ILE 64 6.949 -16.496 -0.457 457 2HG2 ILE 64 2HG2 ILE 64 5.414 -15.643 -0.751 458 3HG2 ILE 64 3HG2 ILE 64 5.411 -17.230 0.055 459 1HD1 ILE 64 1HD1 ILE 64 3.614 -17.343 -0.853 460 2HD1 ILE 64 2HD1 ILE 64 2.908 -15.941 -1.693 461 3HD1 ILE 64 3HD1 ILE 64 2.502 -17.592 -2.221 462 H CYS 65 H CYS 65 6.733 -19.219 -4.280 463 HA CYS 65 HA CYS 65 6.672 -17.830 -6.836 464 1HB CYS 65 1HB CYS 65 8.201 -19.482 -7.105 465 2HB CYS 65 2HB CYS 65 7.450 -20.541 -5.929 466 HA PRO 66 HA PRO 66 2.363 -18.543 -6.979 467 1HB PRO 66 1HB PRO 66 1.889 -17.895 -9.591 468 2HB PRO 66 2HB PRO 66 2.032 -16.699 -8.318 469 1HG PRO 66 1HG PRO 66 3.983 -17.406 -10.424 470 2HG PRO 66 2HG PRO 66 3.914 -15.965 -9.430 471 1HD PRO 66 1HD PRO 66 5.701 -18.186 -9.111 472 2HD PRO 66 2HD PRO 66 5.553 -16.799 -8.050 473 H ALA 67 H ALA 67 0.618 -19.624 -8.522 474 HA ALA 67 HA ALA 67 1.630 -21.821 -9.994 475 1HB ALA 67 1HB ALA 67 0.706 -22.254 -7.142 476 2HB ALA 67 2HB ALA 67 0.566 -23.535 -8.370 477 3HB ALA 67 3HB ALA 67 2.165 -22.876 -7.948 478 H ASP 68 H ASP 68 0.213 -21.217 -11.625 479 HA ASP 68 HA ASP 68 -2.579 -21.611 -10.940 480 1HB ASP 68 1HB ASP 68 -2.388 -19.207 -11.016 481 2HB ASP 68 2HB ASP 68 -1.352 -19.259 -12.430 482 HD2 ASP 68 HD ASP 68 -4.063 -19.556 -14.634 483 H LEU 69 H LEU 69 -0.064 -21.068 -13.506 484 HA LEU 69 HA LEU 69 -1.606 -22.328 -15.537 485 1HB LEU 69 1HB LEU 69 1.272 -21.450 -15.341 486 2HB LEU 69 2HB LEU 69 0.606 -22.218 -16.768 487 HG LEU 69 HG LEU 69 -1.055 -19.986 -15.927 488 1HD1 LEU 69 1HD1 LEU 69 0.433 -18.159 -16.230 489 2HD1 LEU 69 2HD1 LEU 69 1.172 -19.232 -15.017 490 3HD1 LEU 69 3HD1 LEU 69 1.773 -19.235 -16.692 491 1HD2 LEU 69 1HD2 LEU 69 -0.734 -19.301 -18.264 492 2HD2 LEU 69 2HD2 LEU 69 0.509 -20.560 -18.458 493 3HD2 LEU 69 3HD2 LEU 69 -1.178 -21.019 -18.125 494 H ALA 70 H ALA 70 -2.073 -24.457 -15.555 495 HA ALA 70 HA ALA 70 0.098 -26.323 -15.182 496 1HB ALA 70 1HB ALA 70 -0.884 -25.839 -12.878 497 2HB ALA 70 2HB ALA 70 -2.397 -26.571 -13.465 498 3HB ALA 70 3HB ALA 70 -0.909 -27.545 -13.385 499 H ALA 71 H ALA 71 -0.553 -28.534 -15.895 500 HA ALA 71 HA ALA 71 -2.339 -28.309 -18.130 501 1HB ALA 71 1HB ALA 71 -0.069 -29.836 -17.414 502 2HB ALA 71 2HB ALA 71 -1.410 -30.998 -17.550 503 3HB ALA 71 3HB ALA 71 -1.009 -29.938 -18.922 504 H ALA 72 H ALA 72 -3.948 -30.224 -18.490 505 HA ALA 72 HA ALA 72 -5.247 -30.895 -15.949 506 1HB ALA 72 1HB ALA 72 -6.892 -29.442 -16.458 507 2HB ALA 72 2HB ALA 72 -6.212 -29.138 -18.074 508 3HB ALA 72 3HB ALA 72 -7.307 -30.516 -17.815 509 H ALA 73 H ALA 73 -6.870 -32.732 -16.271 510 HA ALA 73 HA ALA 73 -6.512 -34.322 -18.630 511 1HB ALA 73 1HB ALA 73 -4.762 -34.695 -16.362 512 2HB ALA 73 2HB ALA 73 -5.820 -36.116 -16.535 513 3HB ALA 73 3HB ALA 73 -4.807 -35.588 -17.901
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