NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15139 | 1xn5 | 6369 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H MET 1 -3.943 17.423 -16.602 2 HA MET 1 HA MET 1 -3.777 18.454 -19.032 3 1HB MET 1 1HB MET 1 -1.913 16.496 -19.311 4 2HB MET 1 2HB MET 1 -1.692 17.815 -18.179 5 1HG MET 1 1HG MET 1 -1.928 16.451 -16.348 6 2HG MET 1 2HG MET 1 -3.278 15.580 -17.048 7 1HE MET 1 1HE MET 1 -1.290 12.757 -16.157 8 2HE MET 1 2HE MET 1 -0.041 13.934 -15.685 9 3HE MET 1 3HE MET 1 -1.758 14.284 -15.372 10 H THR 2 H THR 2 -3.621 14.838 -18.791 11 HA THR 2 HA THR 2 -5.740 14.538 -20.718 12 HB THR 2 HB THR 2 -3.877 15.117 -22.222 13 HG1 THR 2 1HG THR 2 -4.571 13.355 -23.367 14 1HG2 THR 2 1HG2 THR 2 -1.843 13.676 -22.293 15 2HG2 THR 2 2HG2 THR 2 -1.953 14.515 -20.727 16 3HG2 THR 2 3HG2 THR 2 -2.412 12.800 -20.852 17 H ARG 3 H ARG 3 -5.345 13.794 -17.957 18 HA ARG 3 HA ARG 3 -6.200 11.211 -18.110 19 1HB ARG 3 1HB ARG 3 -3.255 11.461 -18.047 20 2HB ARG 3 2HB ARG 3 -3.860 10.504 -16.709 21 1HG ARG 3 1HG ARG 3 -5.364 9.499 -18.804 22 2HG ARG 3 2HG ARG 3 -3.868 9.899 -19.625 23 1HD ARG 3 1HD ARG 3 -3.226 8.620 -17.097 24 2HD ARG 3 2HD ARG 3 -4.402 7.633 -17.942 25 HE ARG 3 HE ARG 3 -2.498 8.378 -19.883 26 1HH1 ARG 3 2HH2 ARG 3 -2.524 6.576 -16.860 27 2HH1 ARG 3 1HH2 ARG 3 -1.198 5.556 -17.309 28 1HH2 ARG 3 2HH1 ARG 3 -0.750 7.032 -20.476 29 2HH2 ARG 3 1HH1 ARG 3 -0.182 5.817 -19.379 30 H LEU 4 H LEU 4 -5.954 10.116 -15.720 31 HA LEU 4 HA LEU 4 -6.708 12.240 -13.904 32 1HB LEU 4 1HB LEU 4 -6.990 9.259 -13.965 33 2HB LEU 4 2HB LEU 4 -7.152 10.116 -12.445 34 HG LEU 4 HG LEU 4 -8.815 10.628 -14.927 35 1HD1 LEU 4 1HD1 LEU 4 -10.656 9.597 -13.644 36 2HD1 LEU 4 2HD1 LEU 4 -9.335 8.457 -13.994 37 3HD1 LEU 4 3HD1 LEU 4 -9.497 9.159 -12.366 38 1HD2 LEU 4 1HD2 LEU 4 -10.019 11.654 -12.561 39 2HD2 LEU 4 2HD2 LEU 4 -8.345 12.254 -12.631 40 3HD2 LEU 4 3HD2 LEU 4 -9.449 12.537 -13.998 41 HA PRO 5 HA PRO 5 -2.987 12.203 -11.721 42 1HB PRO 5 1HB PRO 5 -3.779 13.030 -9.240 43 2HB PRO 5 2HB PRO 5 -3.542 14.127 -10.585 44 1HG PRO 5 1HG PRO 5 -6.074 13.154 -9.411 45 2HG PRO 5 2HG PRO 5 -5.806 14.543 -10.445 46 1HD PRO 5 1HD PRO 5 -6.927 12.019 -11.218 47 2HD PRO 5 2HD PRO 5 -6.552 13.366 -12.274 48 H ASP 6 H ASP 6 -1.557 11.055 -10.395 49 HA ASP 6 HA ASP 6 -2.573 8.474 -9.866 50 1HB ASP 6 1HB ASP 6 -0.212 8.179 -8.845 51 2HB ASP 6 2HB ASP 6 -0.303 8.547 -10.556 52 H ILE 7 H ILE 7 -2.037 7.438 -7.578 53 HA ILE 7 HA ILE 7 -2.871 9.371 -5.533 54 HB ILE 7 HB ILE 7 -3.440 6.459 -5.963 55 1HG1 ILE 7 1HG1 ILE 7 -5.298 8.719 -5.193 56 2HG1 ILE 7 2HG1 ILE 7 -4.909 8.339 -6.859 57 1HG2 ILE 7 1HG2 ILE 7 -3.075 7.837 -3.382 58 2HG2 ILE 7 2HG2 ILE 7 -4.609 6.950 -3.555 59 3HG2 ILE 7 3HG2 ILE 7 -3.060 6.102 -3.780 60 1HD1 ILE 7 1HD1 ILE 7 -6.675 6.898 -6.723 61 2HD1 ILE 7 2HD1 ILE 7 -5.533 5.831 -5.870 62 3HD1 ILE 7 3HD1 ILE 7 -6.637 6.877 -4.944 63 H LYS 8 H LYS 8 -0.637 10.097 -5.275 64 HA LYS 8 HA LYS 8 1.044 8.064 -3.987 65 1HB LYS 8 1HB LYS 8 2.221 8.851 -5.849 66 2HB LYS 8 2HB LYS 8 1.676 10.502 -5.634 67 1HG LYS 8 1HG LYS 8 3.058 10.770 -3.627 68 2HG LYS 8 2HG LYS 8 3.477 9.068 -3.630 69 1HD LYS 8 1HD LYS 8 5.194 9.434 -5.066 70 2HD LYS 8 2HD LYS 8 4.121 10.187 -6.229 71 1HE LYS 8 1HE LYS 8 5.656 11.917 -5.703 72 2HE LYS 8 2HE LYS 8 4.255 12.312 -4.727 73 1HZ LYS 8 1HZ LYS 8 6.845 11.554 -3.891 74 2HZ LYS 8 2HZ LYS 8 5.647 12.258 -3.033 75 3HZ LYS 8 3HZ LYS 8 5.703 10.632 -3.175 76 H LYS 9 H LYS 9 1.299 8.186 -1.823 77 HA LYS 9 HA LYS 9 0.898 10.815 -0.591 78 1HB LYS 9 1HB LYS 9 -0.248 8.193 0.416 79 2HB LYS 9 2HB LYS 9 -0.323 9.730 1.254 80 1HG LYS 9 1HG LYS 9 -1.297 9.755 -1.577 81 2HG LYS 9 2HG LYS 9 -2.271 8.830 -0.451 82 1HD LYS 9 1HD LYS 9 -2.481 10.795 1.041 83 2HD LYS 9 2HD LYS 9 -1.414 11.726 0.009 84 1HE LYS 9 1HE LYS 9 -3.203 11.053 -1.881 85 2HE LYS 9 2HE LYS 9 -4.261 10.855 -0.498 86 1HZ LYS 9 1HZ LYS 9 -4.483 13.054 -1.057 87 2HZ LYS 9 2HZ LYS 9 -3.391 13.141 0.155 88 3HZ LYS 9 3HZ LYS 9 -2.901 13.274 -1.397 89 H GLU 10 H GLU 10 1.829 10.818 1.725 90 HA GLU 10 HA GLU 10 3.958 8.902 2.027 91 1HB GLU 10 1HB GLU 10 4.874 10.833 0.658 92 2HB GLU 10 2HB GLU 10 4.541 11.894 2.012 93 1HG GLU 10 1HG GLU 10 6.078 9.419 2.683 94 2HG GLU 10 2HG GLU 10 6.917 10.562 1.654 95 H VAL 11 H VAL 11 4.625 8.645 4.223 96 HA VAL 11 HA VAL 11 3.438 10.451 6.168 97 HB VAL 11 HB VAL 11 2.808 8.207 7.410 98 1HG1 VAL 11 1HG1 VAL 11 0.662 8.869 7.131 99 2HG1 VAL 11 2HG1 VAL 11 1.408 10.247 6.286 100 3HG1 VAL 11 3HG1 VAL 11 0.778 8.866 5.355 101 1HG2 VAL 11 1HG2 VAL 11 3.628 7.114 5.029 102 2HG2 VAL 11 2HG2 VAL 11 2.523 6.337 6.188 103 3HG2 VAL 11 3HG2 VAL 11 1.867 7.229 4.794 104 H ARG 12 H ARG 12 4.389 10.095 8.371 105 HA ARG 12 HA ARG 12 6.976 8.786 8.123 106 1HB ARG 12 1HB ARG 12 7.245 11.265 8.060 107 2HB ARG 12 2HB ARG 12 6.346 11.416 9.557 108 1HG ARG 12 1HG ARG 12 8.321 9.559 10.230 109 2HG ARG 12 2HG ARG 12 9.169 10.626 9.129 110 1HD ARG 12 1HD ARG 12 9.186 12.348 10.634 111 2HD ARG 12 2HD ARG 12 7.495 12.129 11.037 112 HE ARG 12 HE ARG 12 9.067 9.975 12.149 113 1HH1 ARG 12 2HH2 ARG 12 8.297 13.375 12.628 114 2HH1 ARG 12 1HH2 ARG 12 8.605 13.336 14.332 115 1HH2 ARG 12 2HH1 ARG 12 9.473 9.923 14.397 116 2HH2 ARG 12 1HH1 ARG 12 9.279 11.359 15.345 117 H PHE 13 H PHE 13 7.355 7.268 9.726 118 HA PHE 13 HA PHE 13 5.707 7.489 12.145 119 1HB PHE 13 1HB PHE 13 6.666 5.018 10.578 120 2HB PHE 13 2HB PHE 13 5.720 4.948 12.052 121 HD1 PHE 13 1HD PHE 13 3.804 7.219 11.408 122 HD2 PHE 13 2HD PHE 13 5.184 3.938 9.097 123 HE1 PHE 13 1HE PHE 13 1.692 7.284 10.054 124 HE2 PHE 13 2HE PHE 13 3.072 4.003 7.743 125 HZ PHE 13 HZ PHE 13 1.351 5.675 8.238 126 H ASN 14 H ASN 14 6.679 6.718 14.124 127 HA ASN 14 HA ASN 14 9.538 6.987 14.022 128 1HB ASN 14 1HB ASN 14 7.443 7.557 15.934 129 2HB ASN 14 2HB ASN 14 8.545 6.422 16.689 130 1HD2 ASN 14 1HD2 ASN 14 8.075 9.194 17.323 131 2HD2 ASN 14 2HD2 ASN 14 9.577 10.043 17.168 132 H ALA 15 H ALA 15 10.588 5.037 13.524 133 HA ALA 15 HA ALA 15 10.682 2.941 15.285 134 1HB ALA 15 1HB ALA 15 8.788 1.779 14.938 135 2HB ALA 15 2HB ALA 15 8.305 2.865 13.613 136 3HB ALA 15 3HB ALA 15 9.352 1.464 13.279 137 HA PRO 16 HA PRO 16 13.847 1.942 12.513 138 1HB PRO 16 1HB PRO 16 14.270 -0.727 12.920 139 2HB PRO 16 2HB PRO 16 14.861 0.514 14.007 140 1HG PRO 16 1HG PRO 16 12.582 -1.333 14.369 141 2HG PRO 16 2HG PRO 16 13.443 -0.402 15.578 142 1HD PRO 16 1HD PRO 16 10.864 0.190 14.472 143 2HD PRO 16 2HD PRO 16 11.775 1.180 15.594 144 H ILE 17 H ILE 17 14.015 1.918 10.364 145 HA ILE 17 HA ILE 17 11.928 1.170 8.790 146 HB ILE 17 HB ILE 17 13.912 2.538 8.175 147 1HG1 ILE 17 1HG1 ILE 17 13.341 0.331 6.182 148 2HG1 ILE 17 2HG1 ILE 17 12.201 1.609 6.554 149 1HG2 ILE 17 1HG2 ILE 17 15.394 0.362 8.945 150 2HG2 ILE 17 2HG2 ILE 17 15.442 0.245 7.170 151 3HG2 ILE 17 3HG2 ILE 17 15.989 1.733 7.978 152 1HD1 ILE 17 1HD1 ILE 17 15.045 2.030 5.522 153 2HD1 ILE 17 2HD1 ILE 17 13.555 2.183 4.560 154 3HD1 ILE 17 3HD1 ILE 17 13.878 3.323 5.888 155 H GLU 18 H GLU 18 14.345 -0.863 10.366 156 HA GLU 18 HA GLU 18 14.174 -3.073 8.742 157 1HB GLU 18 1HB GLU 18 15.477 -2.399 11.098 158 2HB GLU 18 2HB GLU 18 14.381 -3.654 11.642 159 1HG GLU 18 1HG GLU 18 15.761 -4.269 9.076 160 2HG GLU 18 2HG GLU 18 16.838 -4.109 10.448 161 H LYS 19 H LYS 19 12.198 -2.136 11.633 162 HA LYS 19 HA LYS 19 10.601 -4.445 11.586 163 1HB LYS 19 1HB LYS 19 11.010 -2.619 13.427 164 2HB LYS 19 2HB LYS 19 9.652 -1.809 12.674 165 1HG LYS 19 1HG LYS 19 8.459 -4.156 12.839 166 2HG LYS 19 2HG LYS 19 9.713 -4.538 14.002 167 1HD LYS 19 1HD LYS 19 9.078 -2.427 15.280 168 2HD LYS 19 2HD LYS 19 7.736 -2.216 14.172 169 1HE LYS 19 1HE LYS 19 6.488 -3.837 15.192 170 2HE LYS 19 2HE LYS 19 7.837 -4.953 15.271 171 1HZ LYS 19 1HZ LYS 19 8.277 -4.328 17.336 172 2HZ LYS 19 2HZ LYS 19 8.121 -2.732 17.028 173 3HZ LYS 19 3HZ LYS 19 6.799 -3.633 17.357 174 H VAL 20 H VAL 20 10.030 -1.080 10.344 175 HA VAL 20 HA VAL 20 7.543 -1.549 9.260 176 HB VAL 20 HB VAL 20 9.773 0.276 8.342 177 1HG1 VAL 20 1HG1 VAL 20 6.802 0.399 7.719 178 2HG1 VAL 20 2HG1 VAL 20 8.020 1.615 7.264 179 3HG1 VAL 20 3HG1 VAL 20 8.097 -0.024 6.572 180 1HG2 VAL 20 1HG2 VAL 20 9.165 1.751 9.949 181 2HG2 VAL 20 2HG2 VAL 20 7.439 1.336 9.830 182 3HG2 VAL 20 3HG2 VAL 20 8.541 0.296 10.763 183 H TRP 21 H TRP 21 10.819 -1.938 7.756 184 HA TRP 21 HA TRP 21 9.976 -2.693 5.244 185 1HB TRP 21 1HB TRP 21 12.285 -2.137 5.877 186 2HB TRP 21 2HB TRP 21 12.407 -3.637 6.775 187 HD1 TRP 21 HD TRP 21 13.799 -5.337 5.378 188 HE1 TRP 21 1HE TRP 21 14.078 -6.085 2.863 189 HE3 TRP 21 3HE TRP 21 10.486 -1.987 3.466 190 HZ2 TRP 21 2HZ TRP 21 12.907 -5.212 0.411 191 HZ3 TRP 21 3HZ TRP 21 10.112 -2.002 1.001 192 HH2 TRP 21 HH TRP 21 11.259 -3.541 -0.511 193 H GLU 22 H GLU 22 10.845 -4.801 8.086 194 HA GLU 22 HA GLU 22 10.116 -7.162 6.903 195 1HB GLU 22 1HB GLU 22 10.944 -6.249 9.489 196 2HB GLU 22 2HB GLU 22 9.529 -7.252 9.737 197 1HG GLU 22 1HG GLU 22 10.755 -8.890 8.023 198 2HG GLU 22 2HG GLU 22 12.187 -8.000 8.502 199 H ALA 23 H ALA 23 8.146 -4.553 8.182 200 HA ALA 23 HA ALA 23 5.804 -6.209 8.485 201 1HB ALA 23 1HB ALA 23 4.746 -3.952 8.952 202 2HB ALA 23 2HB ALA 23 6.094 -4.386 10.031 203 3HB ALA 23 3HB ALA 23 6.352 -3.226 8.705 204 H VAL 24 H VAL 24 7.500 -4.531 5.962 205 HA VAL 24 HA VAL 24 5.089 -4.703 4.288 206 HB VAL 24 HB VAL 24 5.740 -2.792 3.129 207 1HG1 VAL 24 1HG1 VAL 24 5.436 -2.685 5.929 208 2HG1 VAL 24 2HG1 VAL 24 6.742 -1.540 5.537 209 3HG1 VAL 24 3HG1 VAL 24 5.152 -1.379 4.753 210 1HG2 VAL 24 1HG2 VAL 24 8.442 -3.525 4.025 211 2HG2 VAL 24 2HG2 VAL 24 7.909 -2.677 2.553 212 3HG2 VAL 24 3HG2 VAL 24 8.121 -1.775 4.073 213 H SER 25 H SER 25 7.480 -6.582 5.091 214 HA SER 25 HA SER 25 8.326 -7.067 2.343 215 1HB SER 25 1HB SER 25 10.398 -7.875 3.130 216 2HB SER 25 2HB SER 25 10.083 -6.499 4.169 217 HG SER 25 HG SER 25 8.952 -8.372 5.532 218 H THR 26 H THR 26 6.937 -8.380 5.353 219 HA THR 26 HA THR 26 6.714 -11.030 4.129 220 HB THR 26 HB THR 26 6.028 -11.646 6.489 221 HG1 THR 26 1HG THR 26 6.441 -9.734 7.990 222 1HG2 THR 26 1HG2 THR 26 8.349 -10.141 7.314 223 2HG2 THR 26 2HG2 THR 26 8.255 -11.878 6.935 224 3HG2 THR 26 3HG2 THR 26 8.633 -10.706 5.650 225 H SER 27 H SER 27 4.509 -12.161 4.803 226 HA SER 27 HA SER 27 2.548 -10.545 3.487 227 1HB SER 27 1HB SER 27 1.654 -13.163 4.509 228 2HB SER 27 2HB SER 27 1.614 -12.531 2.875 229 HG SER 27 HG SER 27 3.868 -13.076 2.641 230 H GLU 28 H GLU 28 2.957 -12.283 6.647 231 HA GLU 28 HA GLU 28 0.524 -11.577 7.708 232 1HB GLU 28 1HB GLU 28 2.910 -12.879 8.574 233 2HB GLU 28 2HB GLU 28 2.573 -11.641 9.768 234 1HG GLU 28 1HG GLU 28 0.294 -13.377 8.797 235 2HG GLU 28 2HG GLU 28 1.439 -14.054 9.938 236 H GLY 29 H GLY 29 3.676 -9.836 7.666 237 1HA GLY 29 1HA GLY 29 2.934 -7.754 9.422 238 2HA GLY 29 2HA GLY 29 4.241 -7.739 8.255 239 H LEU 30 H LEU 30 2.540 -8.296 5.890 240 HA LEU 30 HA LEU 30 1.741 -5.600 5.401 241 1HB LEU 30 1HB LEU 30 2.235 -8.047 3.882 242 2HB LEU 30 2HB LEU 30 0.868 -7.133 3.276 243 HG LEU 30 HG LEU 30 3.129 -5.384 3.808 244 1HD1 LEU 30 1HD1 LEU 30 4.703 -6.990 3.339 245 2HD1 LEU 30 2HD1 LEU 30 3.630 -7.884 2.235 246 3HD1 LEU 30 3HD1 LEU 30 4.373 -6.354 1.709 247 1HD2 LEU 30 1HD2 LEU 30 1.265 -6.000 1.542 248 2HD2 LEU 30 2HD2 LEU 30 1.521 -4.480 2.433 249 3HD2 LEU 30 3HD2 LEU 30 2.727 -5.029 1.245 250 H ALA 31 H ALA 31 -0.003 -8.792 5.399 251 HA ALA 31 HA ALA 31 -2.536 -7.785 5.067 252 1HB ALA 31 1HB ALA 31 -1.774 -10.160 6.807 253 2HB ALA 31 2HB ALA 31 -3.279 -9.921 5.887 254 3HB ALA 31 3HB ALA 31 -1.745 -10.196 5.027 255 H PHE 32 H PHE 32 -0.360 -7.514 7.793 256 HA PHE 32 HA PHE 32 -2.174 -7.302 9.873 257 1HB PHE 32 1HB PHE 32 0.574 -7.091 9.411 258 2HB PHE 32 2HB PHE 32 0.173 -5.421 9.759 259 HD1 PHE 32 1HD PHE 32 -1.840 -5.607 11.843 260 HD2 PHE 32 2HD PHE 32 1.650 -7.951 11.264 261 HE1 PHE 32 1HE PHE 32 -1.764 -6.101 14.303 262 HE2 PHE 32 2HE PHE 32 1.726 -8.445 13.724 263 HZ PHE 32 HZ PHE 32 0.018 -7.515 15.214 264 H TRP 33 H TRP 33 -1.565 -5.171 7.162 265 HA TRP 33 HA TRP 33 -3.429 -3.255 8.345 266 1HB TRP 33 1HB TRP 33 -2.071 -1.387 7.460 267 2HB TRP 33 2HB TRP 33 -1.339 -2.237 8.806 268 HD1 TRP 33 HD TRP 33 0.804 -3.908 8.135 269 HE1 TRP 33 1HE TRP 33 2.625 -3.788 6.230 270 HE3 TRP 33 3HE TRP 33 -1.769 -0.691 5.154 271 HZ2 TRP 33 2HZ TRP 33 2.782 -2.393 3.745 272 HZ3 TRP 33 3HZ TRP 33 -0.711 0.000 3.006 273 HH2 TRP 33 HH TRP 33 1.485 -0.797 2.286 274 H PHE 34 H PHE 34 -1.518 -4.331 5.451 275 HA PHE 34 HA PHE 34 -3.280 -3.179 3.590 276 1HB PHE 34 1HB PHE 34 -1.002 -3.775 2.965 277 2HB PHE 34 2HB PHE 34 -1.158 -5.384 3.641 278 HD1 PHE 34 1HD PHE 34 -3.453 -3.616 1.302 279 HD2 PHE 34 2HD PHE 34 -0.702 -6.800 1.851 280 HE1 PHE 34 1HE PHE 34 -4.038 -4.513 -0.967 281 HE2 PHE 34 2HE PHE 34 -1.287 -7.697 -0.419 282 HZ PHE 34 HZ PHE 34 -2.949 -6.543 -1.801 283 H MET 35 H MET 35 -2.631 -6.688 3.441 284 HA MET 35 HA MET 35 -5.187 -7.465 4.274 285 1HB MET 35 1HB MET 35 -4.803 -6.671 1.438 286 2HB MET 35 2HB MET 35 -5.404 -8.310 1.587 287 1HG MET 35 1HG MET 35 -7.133 -7.269 3.294 288 2HG MET 35 2HG MET 35 -6.691 -5.739 2.563 289 1HE MET 35 1HE MET 35 -7.264 -5.127 -0.102 290 2HE MET 35 2HE MET 35 -5.945 -6.317 -0.205 291 3HE MET 35 3HE MET 35 -7.384 -6.492 -1.237 292 H GLU 36 H GLU 36 -5.582 -9.875 3.727 293 HA GLU 36 HA GLU 36 -3.309 -11.281 4.389 294 1HB GLU 36 1HB GLU 36 -6.012 -12.107 3.280 295 2HB GLU 36 2HB GLU 36 -4.777 -13.303 3.622 296 1HG GLU 36 1HG GLU 36 -4.883 -11.565 5.901 297 2HG GLU 36 2HG GLU 36 -6.543 -11.937 5.479 298 H ASN 37 H ASN 37 -1.742 -12.403 3.216 299 HA ASN 37 HA ASN 37 -2.134 -12.954 0.476 300 1HB ASN 37 1HB ASN 37 -0.303 -11.533 -0.408 301 2HB ASN 37 2HB ASN 37 -1.537 -10.526 0.323 302 1HD2 ASN 37 1HD2 ASN 37 -1.147 -10.538 2.912 303 2HD2 ASN 37 2HD2 ASN 37 0.421 -9.967 3.374 304 H ASP 38 H ASP 38 0.350 -13.580 -0.406 305 HA ASP 38 HA ASP 38 1.622 -14.937 1.839 306 1HB ASP 38 1HB ASP 38 0.907 -15.934 -0.934 307 2HB ASP 38 2HB ASP 38 2.278 -16.634 -0.097 308 H LEU 39 H LEU 39 2.255 -12.300 0.708 309 HA LEU 39 HA LEU 39 4.305 -12.526 -1.225 310 1HB LEU 39 1HB LEU 39 2.939 -10.524 -0.895 311 2HB LEU 39 2HB LEU 39 3.620 -10.304 0.705 312 HG LEU 39 HG LEU 39 5.759 -10.476 -1.221 313 1HD1 LEU 39 1HD1 LEU 39 3.709 -8.329 -1.829 314 2HD1 LEU 39 2HD1 LEU 39 5.306 -8.531 -2.588 315 3HD1 LEU 39 3HD1 LEU 39 4.039 -9.756 -2.841 316 1HD2 LEU 39 1HD2 LEU 39 6.071 -9.462 0.917 317 2HD2 LEU 39 2HD2 LEU 39 6.250 -8.190 -0.315 318 3HD2 LEU 39 3HD2 LEU 39 4.747 -8.307 0.633 319 H LYS 40 H LYS 40 6.607 -12.227 -0.937 320 HA LYS 40 HA LYS 40 7.576 -12.573 1.782 321 1HB LYS 40 1HB LYS 40 7.892 -14.599 -0.425 322 2HB LYS 40 2HB LYS 40 9.125 -14.429 0.808 323 1HG LYS 40 1HG LYS 40 6.738 -14.445 2.288 324 2HG LYS 40 2HG LYS 40 6.424 -15.603 1.010 325 1HD LYS 40 1HD LYS 40 7.432 -16.891 2.746 326 2HD LYS 40 2HD LYS 40 8.714 -16.655 1.575 327 1HE LYS 40 1HE LYS 40 9.980 -15.463 3.050 328 2HE LYS 40 2HE LYS 40 8.631 -14.440 3.502 329 1HZ LYS 40 1HZ LYS 40 8.191 -16.980 4.535 330 2HZ LYS 40 2HZ LYS 40 9.713 -16.542 4.930 331 3HZ LYS 40 3HZ LYS 40 8.455 -15.590 5.351 332 H ALA 41 H ALA 41 7.480 -10.390 -0.245 333 HA ALA 41 HA ALA 41 8.821 -8.979 -1.337 334 1HB ALA 41 1HB ALA 41 9.759 -7.927 0.411 335 2HB ALA 41 2HB ALA 41 9.740 -9.433 1.359 336 3HB ALA 41 3HB ALA 41 11.135 -9.053 0.321 337 H GLU 42 H GLU 42 8.922 -10.861 -3.020 338 HA GLU 42 HA GLU 42 11.736 -11.223 -3.561 339 1HB GLU 42 1HB GLU 42 10.182 -13.333 -2.539 340 2HB GLU 42 2HB GLU 42 10.217 -13.639 -4.264 341 1HG GLU 42 1HG GLU 42 12.651 -13.627 -4.305 342 2HG GLU 42 2HG GLU 42 12.738 -13.012 -2.666 343 H THR 43 H THR 43 12.102 -10.466 -5.598 344 HA THR 43 HA THR 43 9.967 -9.790 -7.312 345 HB THR 43 HB THR 43 12.492 -8.922 -7.007 346 HG1 THR 43 1HG THR 43 12.016 -7.910 -9.028 347 1HG2 THR 43 1HG2 THR 43 13.149 -11.321 -8.129 348 2HG2 THR 43 2HG2 THR 43 12.833 -10.387 -9.611 349 3HG2 THR 43 3HG2 THR 43 14.070 -9.834 -8.457 350 H GLY 44 H GLY 44 9.181 -10.691 -9.209 351 1HA GLY 44 1HA GLY 44 8.772 -12.297 -10.742 352 2HA GLY 44 2HA GLY 44 10.293 -13.063 -10.331 353 H HIS 45 H HIS 45 8.096 -12.375 -7.673 354 HA HIS 45 HA HIS 45 7.744 -15.222 -7.319 355 1HB HIS 45 1HB HIS 45 8.513 -13.849 -5.443 356 2HB HIS 45 2HB HIS 45 7.067 -12.864 -5.540 357 HD1 HIS 45 1HD HIS 45 7.071 -16.669 -5.754 358 HD2 HIS 45 2HD HIS 45 5.942 -13.607 -3.119 359 HE1 HIS 45 1HE HIS 45 5.768 -17.792 -3.869 360 H HIS 46 H HIS 46 5.462 -15.903 -6.435 361 HA HIS 46 HA HIS 46 3.397 -14.458 -7.907 362 1HB HIS 46 1HB HIS 46 2.468 -16.809 -8.463 363 2HB HIS 46 2HB HIS 46 3.751 -16.135 -9.448 364 HD1 HIS 46 1HD HIS 46 3.080 -18.815 -6.872 365 HD2 HIS 46 2HD HIS 46 6.220 -17.487 -9.317 366 HE1 HIS 46 1HE HIS 46 4.881 -20.620 -6.767 367 H PHE 47 H PHE 47 1.951 -13.785 -6.410 368 HA PHE 47 HA PHE 47 1.126 -15.728 -4.400 369 1HB PHE 47 1HB PHE 47 1.479 -14.093 -2.628 370 2HB PHE 47 2HB PHE 47 2.953 -14.066 -3.576 371 HD1 PHE 47 1HD PHE 47 0.349 -12.106 -2.207 372 HD2 PHE 47 2HD PHE 47 3.082 -12.263 -5.450 373 HE1 PHE 47 1HE PHE 47 0.085 -9.634 -2.550 374 HE2 PHE 47 2HE PHE 47 2.817 -9.791 -5.792 375 HZ PHE 47 HZ PHE 47 1.322 -8.506 -4.338 376 H HIS 48 H HIS 48 -1.042 -15.457 -3.669 377 HA HIS 48 HA HIS 48 -2.574 -13.689 -5.408 378 1HB HIS 48 1HB HIS 48 -3.144 -16.259 -3.975 379 2HB HIS 48 2HB HIS 48 -4.478 -15.174 -4.316 380 HD1 HIS 48 1HD HIS 48 -1.524 -16.562 -6.356 381 HD2 HIS 48 2HD HIS 48 -5.635 -15.799 -6.695 382 HE1 HIS 48 1HE HIS 48 -2.204 -17.331 -8.692 383 H LEU 49 H LEU 49 -4.705 -12.852 -4.257 384 HA LEU 49 HA LEU 49 -3.991 -11.970 -1.553 385 1HB LEU 49 1HB LEU 49 -3.448 -10.222 -3.205 386 2HB LEU 49 2HB LEU 49 -5.112 -10.231 -3.755 387 HG LEU 49 HG LEU 49 -5.568 -9.751 -1.156 388 1HD1 LEU 49 1HD1 LEU 49 -2.820 -8.569 -1.647 389 2HD1 LEU 49 2HD1 LEU 49 -3.879 -8.197 -0.266 390 3HD1 LEU 49 3HD1 LEU 49 -3.238 -9.844 -0.477 391 1HD2 LEU 49 1HD2 LEU 49 -5.033 -7.949 -3.479 392 2HD2 LEU 49 2HD2 LEU 49 -6.540 -8.255 -2.583 393 3HD2 LEU 49 3HD2 LEU 49 -5.278 -7.221 -1.873 394 H GLN 50 H GLN 50 -5.605 -12.203 -0.068 395 HA GLN 50 HA GLN 50 -8.112 -13.187 -1.147 396 1HB GLN 50 1HB GLN 50 -6.829 -13.389 1.606 397 2HB GLN 50 2HB GLN 50 -8.481 -13.888 1.303 398 1HG GLN 50 1HG GLN 50 -6.631 -14.985 -0.709 399 2HG GLN 50 2HG GLN 50 -6.164 -15.445 0.916 400 1HE2 GLN 50 1HE2 GLN 50 -8.714 -15.490 -1.484 401 2HE2 GLN 50 2HE2 GLN 50 -9.645 -16.794 -0.828 402 H SER 51 H SER 51 -8.884 -11.036 -1.782 403 HA SER 51 HA SER 51 -9.301 -9.208 0.411 404 1HB SER 51 1HB SER 51 -9.336 -7.565 -1.170 405 2HB SER 51 2HB SER 51 -8.620 -8.783 -2.207 406 HG SER 51 HG SER 51 -10.472 -9.006 -3.318 407 HA PRO 52 HA PRO 52 -13.559 -10.058 0.727 408 1HB PRO 52 1HB PRO 52 -14.732 -7.621 1.117 409 2HB PRO 52 2HB PRO 52 -13.885 -8.490 2.382 410 1HG PRO 52 1HG PRO 52 -12.997 -6.128 0.843 411 2HG PRO 52 2HG PRO 52 -12.380 -6.743 2.363 412 1HD PRO 52 1HD PRO 52 -11.168 -7.025 -0.221 413 2HD PRO 52 2HD PRO 52 -10.613 -7.738 1.280 414 H PHE 53 H PHE 53 -12.853 -7.570 -1.616 415 HA PHE 53 HA PHE 53 -15.331 -7.721 -2.915 416 1HB PHE 53 1HB PHE 53 -13.056 -6.169 -2.996 417 2HB PHE 53 2HB PHE 53 -12.739 -7.182 -4.390 418 HD1 PHE 53 1HD PHE 53 -14.534 -4.349 -3.147 419 HD2 PHE 53 2HD PHE 53 -14.479 -7.247 -6.247 420 HE1 PHE 53 1HE PHE 53 -16.001 -2.874 -4.553 421 HE2 PHE 53 2HE PHE 53 -15.945 -5.772 -7.652 422 HZ PHE 53 HZ PHE 53 -16.689 -3.603 -6.788 423 H GLY 54 H GLY 54 -12.521 -9.828 -2.891 424 1HA GLY 54 1HA GLY 54 -13.443 -12.046 -3.916 425 2HA GLY 54 2HA GLY 54 -13.322 -11.119 -5.399 426 HA PRO 55 HA PRO 55 -9.187 -12.853 -4.106 427 1HB PRO 55 1HB PRO 55 -9.115 -15.275 -5.370 428 2HB PRO 55 2HB PRO 55 -9.505 -15.091 -3.671 429 1HG PRO 55 1HG PRO 55 -11.316 -15.662 -5.938 430 2HG PRO 55 2HG PRO 55 -11.597 -15.892 -4.223 431 1HD PRO 55 1HD PRO 55 -12.632 -13.779 -5.863 432 2HD PRO 55 2HD PRO 55 -12.817 -13.946 -4.129 433 H SER 56 H SER 56 -7.428 -12.156 -5.177 434 HA SER 56 HA SER 56 -7.659 -12.327 -8.061 435 1HB SER 56 1HB SER 56 -7.721 -9.863 -6.463 436 2HB SER 56 2HB SER 56 -6.393 -9.852 -7.606 437 HG SER 56 HG SER 56 -8.831 -10.780 -8.669 438 HA PRO 57 HA PRO 57 -3.480 -13.456 -7.580 439 1HB PRO 57 1HB PRO 57 -2.585 -13.217 -10.151 440 2HB PRO 57 2HB PRO 57 -3.484 -14.606 -9.575 441 1HG PRO 57 1HG PRO 57 -4.407 -12.383 -11.290 442 2HG PRO 57 2HG PRO 57 -5.131 -13.961 -11.055 443 1HD PRO 57 1HD PRO 57 -6.016 -11.480 -9.920 444 2HD PRO 57 2HD PRO 57 -6.668 -13.074 -9.594 445 H CYS 58 H CYS 58 -1.259 -12.780 -7.487 446 HA CYS 58 HA CYS 58 -0.939 -9.971 -8.144 447 1HB CYS 58 1HB CYS 58 -0.260 -11.006 -5.375 448 2HB CYS 58 2HB CYS 58 -0.092 -9.364 -5.964 449 HG CYS 58 HG CYS 58 -2.129 -9.057 -4.607 450 H GLN 59 H GLN 59 1.357 -9.409 -8.391 451 HA GLN 59 HA GLN 59 3.225 -11.565 -8.059 452 1HB GLN 59 1HB GLN 59 2.516 -12.120 -10.275 453 2HB GLN 59 2HB GLN 59 2.452 -10.440 -10.771 454 1HG GLN 59 1HG GLN 59 4.665 -10.406 -11.314 455 2HG GLN 59 2HG GLN 59 5.131 -11.156 -9.800 456 1HE2 GLN 59 1HE2 GLN 59 5.187 -11.500 -13.032 457 2HE2 GLN 59 2HE2 GLN 59 5.274 -13.221 -13.205 458 H VAL 60 H VAL 60 5.235 -10.774 -7.474 459 HA VAL 60 HA VAL 60 5.451 -7.948 -7.124 460 HB VAL 60 HB VAL 60 7.486 -10.142 -6.687 461 1HG1 VAL 60 1HG1 VAL 60 8.866 -8.570 -5.908 462 2HG1 VAL 60 2HG1 VAL 60 7.738 -7.344 -6.535 463 3HG1 VAL 60 3HG1 VAL 60 7.599 -7.904 -4.851 464 1HG2 VAL 60 1HG2 VAL 60 5.024 -9.461 -5.244 465 2HG2 VAL 60 2HG2 VAL 60 6.052 -10.911 -5.141 466 3HG2 VAL 60 3HG2 VAL 60 6.472 -9.453 -4.209 467 H THR 61 H THR 61 6.858 -6.497 -8.174 468 HA THR 61 HA THR 61 7.981 -7.548 -10.688 469 HB THR 61 HB THR 61 7.333 -5.474 -11.704 470 HG1 THR 61 1HG THR 61 7.888 -3.875 -10.238 471 1HG2 THR 61 1HG2 THR 61 5.084 -5.356 -9.753 472 2HG2 THR 61 2HG2 THR 61 5.035 -5.561 -11.521 473 3HG2 THR 61 3HG2 THR 61 5.342 -6.965 -10.470 474 H ASP 62 H ASP 62 8.525 -5.651 -7.735 475 HA ASP 62 HA ASP 62 11.326 -5.925 -8.217 476 1HB ASP 62 1HB ASP 62 10.004 -3.477 -8.875 477 2HB ASP 62 2HB ASP 62 10.847 -3.175 -7.368 478 H VAL 63 H VAL 63 12.398 -6.096 -6.187 479 HA VAL 63 HA VAL 63 11.375 -4.887 -3.842 480 HB VAL 63 HB VAL 63 9.692 -6.567 -3.934 481 1HG1 VAL 63 1HG1 VAL 63 10.864 -8.080 -5.530 482 2HG1 VAL 63 2HG1 VAL 63 11.877 -8.660 -4.187 483 3HG1 VAL 63 3HG1 VAL 63 10.119 -8.939 -4.160 484 1HG2 VAL 63 1HG2 VAL 63 9.867 -7.313 -1.784 485 2HG2 VAL 63 2HG2 VAL 63 11.531 -7.904 -2.003 486 3HG2 VAL 63 3HG2 VAL 63 11.227 -6.165 -1.775 487 H GLU 64 H GLU 64 13.339 -4.198 -3.142 488 HA GLU 64 HA GLU 64 15.244 -6.224 -2.484 489 1HB GLU 64 1HB GLU 64 15.835 -5.678 -4.846 490 2HB GLU 64 2HB GLU 64 16.002 -3.988 -4.416 491 1HG GLU 64 1HG GLU 64 18.135 -4.346 -3.743 492 2HG GLU 64 2HG GLU 64 17.581 -5.497 -2.543 493 H ARG 65 H ARG 65 15.392 -5.710 -0.330 494 HA ARG 65 HA ARG 65 15.737 -4.590 1.485 495 1HB ARG 65 1HB ARG 65 17.581 -3.436 -0.444 496 2HB ARG 65 2HB ARG 65 17.063 -2.175 0.657 497 1HG ARG 65 1HG ARG 65 18.659 -2.988 2.068 498 2HG ARG 65 2HG ARG 65 17.513 -4.268 2.415 499 1HD ARG 65 1HD ARG 65 19.171 -5.678 1.706 500 2HD ARG 65 2HD ARG 65 18.664 -5.225 0.091 501 HE ARG 65 HE ARG 65 20.469 -3.221 0.938 502 1HH1 ARG 65 2HH2 ARG 65 20.541 -6.683 0.310 503 2HH1 ARG 65 1HH2 ARG 65 22.215 -6.696 -0.135 504 1HH2 ARG 65 2HH1 ARG 65 22.677 -3.238 0.351 505 2HH2 ARG 65 1HH1 ARG 65 23.438 -4.724 -0.112 506 HA PRO 66 HA PRO 66 12.869 -1.323 1.885 507 1HB PRO 66 1HB PRO 66 13.786 0.207 3.955 508 2HB PRO 66 2HB PRO 66 12.962 -1.322 4.185 509 1HG PRO 66 1HG PRO 66 15.843 -0.711 4.446 510 2HG PRO 66 2HG PRO 66 14.951 -2.085 5.069 511 1HD PRO 66 1HD PRO 66 16.674 -2.054 2.776 512 2HD PRO 66 2HD PRO 66 15.693 -3.395 3.332 513 H ILE 67 H ILE 67 13.596 -0.688 -0.359 514 HA ILE 67 HA ILE 67 14.111 2.158 -0.184 515 HB ILE 67 HB ILE 67 15.857 1.940 -1.998 516 1HG1 ILE 67 1HG1 ILE 67 17.044 -0.484 -1.369 517 2HG1 ILE 67 2HG1 ILE 67 15.344 -0.898 -1.465 518 1HG2 ILE 67 1HG2 ILE 67 17.629 1.857 -0.445 519 2HG2 ILE 67 2HG2 ILE 67 16.230 2.488 0.456 520 3HG2 ILE 67 3HG2 ILE 67 16.725 0.791 0.657 521 1HD1 ILE 67 1HD1 ILE 67 16.615 -1.033 -3.671 522 2HD1 ILE 67 2HD1 ILE 67 15.155 -0.015 -3.712 523 3HD1 ILE 67 3HD1 ILE 67 16.763 0.740 -3.609 524 H LYS 68 H LYS 68 13.537 -0.756 -2.247 525 HA LYS 68 HA LYS 68 11.493 0.808 -3.627 526 1HB LYS 68 1HB LYS 68 13.393 0.997 -5.085 527 2HB LYS 68 2HB LYS 68 13.746 -0.714 -4.959 528 1HG LYS 68 1HG LYS 68 12.293 -1.203 -6.631 529 2HG LYS 68 2HG LYS 68 10.985 -0.383 -5.802 530 1HD LYS 68 1HD LYS 68 12.429 1.781 -6.697 531 2HD LYS 68 2HD LYS 68 12.790 0.622 -7.961 532 1HE LYS 68 1HE LYS 68 10.067 0.244 -7.675 533 2HE LYS 68 2HE LYS 68 10.205 1.948 -7.289 534 1HZ LYS 68 1HZ LYS 68 10.299 2.257 -9.457 535 2HZ LYS 68 2HZ LYS 68 11.795 1.603 -9.460 536 3HZ LYS 68 3HZ LYS 68 10.496 0.669 -9.786 537 H LEU 69 H LEU 69 9.622 -0.335 -4.033 538 HA LEU 69 HA LEU 69 9.650 -3.193 -4.031 539 1HB LEU 69 1HB LEU 69 9.798 -2.717 -1.623 540 2HB LEU 69 2HB LEU 69 8.336 -1.756 -1.721 541 HG LEU 69 HG LEU 69 7.290 -3.982 -2.682 542 1HD1 LEU 69 1HD1 LEU 69 9.271 -5.285 -0.854 543 2HD1 LEU 69 2HD1 LEU 69 8.286 -5.982 -2.162 544 3HD1 LEU 69 3HD1 LEU 69 9.714 -4.993 -2.553 545 1HD2 LEU 69 1HD2 LEU 69 7.740 -4.202 0.240 546 2HD2 LEU 69 2HD2 LEU 69 7.089 -2.653 -0.347 547 3HD2 LEU 69 3HD2 LEU 69 6.228 -4.171 -0.699 548 H SER 70 H SER 70 7.949 -3.955 -5.240 549 HA SER 70 HA SER 70 5.639 -2.280 -5.522 550 1HB SER 70 1HB SER 70 7.496 -1.668 -7.301 551 2HB SER 70 2HB SER 70 7.003 -3.159 -8.079 552 HG SER 70 HG SER 70 5.060 -1.172 -7.310 553 H PHE 71 H PHE 71 3.798 -3.472 -6.432 554 HA PHE 71 HA PHE 71 4.217 -6.218 -7.165 555 1HB PHE 71 1HB PHE 71 3.015 -7.128 -5.260 556 2HB PHE 71 2HB PHE 71 4.157 -5.996 -4.563 557 HD1 PHE 71 1HD PHE 71 3.396 -3.892 -3.600 558 HD2 PHE 71 2HD PHE 71 0.633 -6.648 -5.268 559 HE1 PHE 71 1HE PHE 71 1.508 -2.687 -2.466 560 HE2 PHE 71 2HE PHE 71 -1.254 -5.442 -4.134 561 HZ PHE 71 HZ PHE 71 -0.794 -3.476 -2.747 562 H THR 72 H THR 72 2.477 -7.051 -8.368 563 HA THR 72 HA THR 72 0.530 -5.051 -9.167 564 HB THR 72 HB THR 72 0.057 -6.792 -10.938 565 HG1 THR 72 1HG THR 72 0.812 -8.814 -10.437 566 1HG2 THR 72 1HG2 THR 72 2.732 -7.085 -11.511 567 2HG2 THR 72 2HG2 THR 72 1.812 -5.607 -11.881 568 3HG2 THR 72 3HG2 THR 72 2.792 -5.697 -10.398 569 H TRP 73 H TRP 73 -1.772 -5.481 -9.277 570 HA TRP 73 HA TRP 73 -2.750 -7.642 -7.630 571 1HB TRP 73 1HB TRP 73 -2.269 -6.048 -5.909 572 2HB TRP 73 2HB TRP 73 -3.043 -4.754 -6.803 573 HD1 TRP 73 HD TRP 73 -4.908 -8.094 -6.648 574 HE1 TRP 73 1HE TRP 73 -7.074 -7.930 -5.149 575 HE3 TRP 73 3HE TRP 73 -3.902 -3.473 -4.779 576 HZ2 TRP 73 2HZ TRP 73 -8.100 -5.931 -3.389 577 HZ3 TRP 73 3HZ TRP 73 -5.537 -2.487 -3.177 578 HH2 TRP 73 HH TRP 73 -7.577 -3.639 -2.478 579 H ASP 74 H ASP 74 -4.637 -8.367 -8.556 580 HA ASP 74 HA ASP 74 -6.541 -8.332 -9.638 581 1HB ASP 74 1HB ASP 74 -6.343 -5.634 -8.975 582 2HB ASP 74 2HB ASP 74 -6.446 -5.567 -10.723 583 H THR 75 H THR 75 -7.337 -7.854 -12.088 584 HA THR 75 HA THR 75 -4.954 -8.146 -13.785 585 HB THR 75 HB THR 75 -6.544 -9.370 -15.285 586 HG1 THR 75 1HG THR 75 -8.739 -9.546 -14.462 587 1HG2 THR 75 1HG2 THR 75 -6.144 -10.162 -12.421 588 2HG2 THR 75 2HG2 THR 75 -7.470 -10.992 -13.271 589 3HG2 THR 75 3HG2 THR 75 -5.809 -11.085 -13.905 590 H ASP 76 H ASP 76 -7.972 -6.315 -13.280 591 HA ASP 76 HA ASP 76 -8.355 -5.080 -15.569 592 1HB ASP 76 1HB ASP 76 -9.407 -4.624 -13.258 593 2HB ASP 76 2HB ASP 76 -8.079 -3.519 -12.964 594 H GLY 77 H GLY 77 -6.118 -3.743 -13.006 595 1HA GLY 77 1HA GLY 77 -3.806 -3.389 -14.220 596 2HA GLY 77 2HA GLY 77 -4.741 -2.148 -15.030 597 H TRP 78 H TRP 78 -4.190 -3.404 -11.658 598 HA TRP 78 HA TRP 78 -3.980 -0.595 -10.815 599 1HB TRP 78 1HB TRP 78 -5.585 -2.834 -9.665 600 2HB TRP 78 2HB TRP 78 -4.849 -1.686 -8.564 601 HD1 TRP 78 HD TRP 78 -5.384 0.825 -10.801 602 HE1 TRP 78 1HE TRP 78 -7.773 1.943 -10.893 603 HE3 TRP 78 3HE TRP 78 -7.843 -3.009 -8.540 604 HZ2 TRP 78 2HZ TRP 78 -10.364 1.117 -10.030 605 HZ3 TRP 78 3HZ TRP 78 -10.301 -2.773 -8.203 606 HH2 TRP 78 HH TRP 78 -11.559 -0.799 -8.906 607 H SER 79 H SER 79 -1.832 -0.279 -10.391 608 HA SER 79 HA SER 79 -0.501 -2.434 -8.948 609 1HB SER 79 1HB SER 79 1.492 -0.951 -10.322 610 2HB SER 79 2HB SER 79 0.996 -2.604 -10.627 611 HG SER 79 HG SER 79 0.785 -0.656 -12.335 612 H VAL 80 H VAL 80 0.862 -1.777 -7.211 613 HA VAL 80 HA VAL 80 0.951 1.118 -6.733 614 HB VAL 80 HB VAL 80 -0.810 0.241 -5.370 615 1HG1 VAL 80 1HG1 VAL 80 0.197 -1.522 -3.535 616 2HG1 VAL 80 2HG1 VAL 80 -0.730 -1.980 -4.983 617 3HG1 VAL 80 3HG1 VAL 80 1.049 -2.025 -5.015 618 1HG2 VAL 80 1HG2 VAL 80 1.589 1.402 -4.299 619 2HG2 VAL 80 2HG2 VAL 80 -0.098 1.627 -3.777 620 3HG2 VAL 80 3HG2 VAL 80 0.879 0.310 -3.086 621 H THR 81 H THR 81 2.886 1.897 -5.845 622 HA THR 81 HA THR 81 4.980 -0.142 -5.474 623 HB THR 81 HB THR 81 5.345 2.632 -6.708 624 HG1 THR 81 1HG THR 81 4.634 1.636 -8.559 625 1HG2 THR 81 1HG2 THR 81 7.274 1.211 -7.812 626 2HG2 THR 81 2HG2 THR 81 7.500 1.782 -6.141 627 3HG2 THR 81 3HG2 THR 81 7.011 0.098 -6.447 628 H PHE 82 H PHE 82 6.270 0.023 -3.698 629 HA PHE 82 HA PHE 82 5.568 2.228 -1.899 630 1HB PHE 82 1HB PHE 82 6.712 -0.603 -1.524 631 2HB PHE 82 2HB PHE 82 6.554 0.531 -0.197 632 HD1 PHE 82 1HD PHE 82 3.922 1.732 -0.707 633 HD2 PHE 82 2HD PHE 82 5.194 -2.299 -1.085 634 HE1 PHE 82 1HE PHE 82 1.568 0.953 -0.320 635 HE2 PHE 82 2HE PHE 82 2.839 -3.078 -0.699 636 HZ PHE 82 HZ PHE 82 1.054 -1.442 -0.321 637 H HIS 83 H HIS 83 7.225 3.381 -0.789 638 HA HIS 83 HA HIS 83 9.945 2.770 -1.639 639 1HB HIS 83 1HB HIS 83 8.588 5.466 -1.891 640 2HB HIS 83 2HB HIS 83 10.323 5.237 -1.979 641 HD1 HIS 83 1HD HIS 83 11.305 4.454 -4.197 642 HD2 HIS 83 2HD HIS 83 7.118 4.237 -4.084 643 HE1 HIS 83 1HE HIS 83 10.552 3.932 -6.578 644 H LEU 84 H LEU 84 11.157 2.503 0.160 645 HA LEU 84 HA LEU 84 10.338 4.032 2.532 646 1HB LEU 84 1HB LEU 84 11.357 1.231 2.193 647 2HB LEU 84 2HB LEU 84 11.624 2.091 3.696 648 HG LEU 84 HG LEU 84 8.949 2.500 3.362 649 1HD1 LEU 84 1HD1 LEU 84 9.439 -0.309 2.342 650 2HD1 LEU 84 2HD1 LEU 84 7.872 0.493 2.608 651 3HD1 LEU 84 3HD1 LEU 84 8.959 1.069 1.322 652 1HD2 LEU 84 1HD2 LEU 84 9.633 -0.064 4.672 653 2HD2 LEU 84 2HD2 LEU 84 10.550 1.361 5.219 654 3HD2 LEU 84 3HD2 LEU 84 8.771 1.362 5.299 655 H LYS 85 H LYS 85 12.088 4.788 3.943 656 HA LYS 85 HA LYS 85 14.774 4.601 3.129 657 1HB LYS 85 1HB LYS 85 15.101 6.969 2.437 658 2HB LYS 85 2HB LYS 85 14.196 6.011 1.283 659 1HG LYS 85 1HG LYS 85 12.080 6.923 2.624 660 2HG LYS 85 2HG LYS 85 13.192 8.170 3.153 661 1HD LYS 85 1HD LYS 85 12.864 7.463 0.208 662 2HD LYS 85 2HD LYS 85 11.822 8.632 0.995 663 1HE LYS 85 1HE LYS 85 13.508 10.213 1.204 664 2HE LYS 85 2HE LYS 85 14.762 9.011 1.436 665 1HZ LYS 85 1HZ LYS 85 14.122 8.489 -1.038 666 2HZ LYS 85 2HZ LYS 85 13.683 10.062 -1.026 667 3HZ LYS 85 3HZ LYS 85 15.217 9.639 -0.657 668 H GLU 86 H GLU 86 15.689 4.508 5.103 669 HA GLU 86 HA GLU 86 14.391 5.497 7.355 670 1HB GLU 86 1HB GLU 86 16.185 3.620 7.121 671 2HB GLU 86 2HB GLU 86 17.367 4.911 7.209 672 1HG GLU 86 1HG GLU 86 15.203 4.907 9.298 673 2HG GLU 86 2HG GLU 86 16.415 3.646 9.412 674 H GLU 87 H GLU 87 14.743 7.357 8.647 675 HA GLU 87 HA GLU 87 16.639 9.267 7.553 676 1HB GLU 87 1HB GLU 87 13.715 9.513 7.608 677 2HB GLU 87 2HB GLU 87 14.482 10.827 8.478 678 1HG GLU 87 1HG GLU 87 15.633 10.059 5.798 679 2HG GLU 87 2HG GLU 87 14.107 10.921 5.814 680 H GLU 88 H GLU 88 16.259 11.379 9.328 681 HA GLU 88 HA GLU 88 17.450 10.296 11.635 682 1HB GLU 88 1HB GLU 88 16.681 13.042 10.670 683 2HB GLU 88 2HB GLU 88 17.025 12.844 12.376 684 1HG GLU 88 1HG GLU 88 19.046 11.447 10.809 685 2HG GLU 88 2HG GLU 88 18.904 13.099 10.241 686 H ASN 89 H ASN 89 14.331 12.082 11.062 687 HA ASN 89 HA ASN 89 13.379 11.949 13.593 688 1HB ASN 89 1HB ASN 89 11.883 11.734 10.931 689 2HB ASN 89 2HB ASN 89 11.067 11.983 12.462 690 1HD2 ASN 89 1HD2 ASN 89 10.330 13.915 11.292 691 2HD2 ASN 89 2HD2 ASN 89 11.274 15.365 11.371 692 H GLY 90 H GLY 90 13.158 9.552 10.886 693 1HA GLY 90 1HA GLY 90 13.182 7.286 12.488 694 2HA GLY 90 2HA GLY 90 11.497 7.694 12.236 695 H THR 91 H THR 91 10.655 6.426 10.639 696 HA THR 91 HA THR 91 12.361 5.932 8.290 697 HB THR 91 HB THR 91 9.995 4.340 9.414 698 HG1 THR 91 1HG THR 91 12.922 4.166 9.464 699 1HG2 THR 91 1HG2 THR 91 10.754 2.570 7.905 700 2HG2 THR 91 2HG2 THR 91 10.508 4.034 6.923 701 3HG2 THR 91 3HG2 THR 91 12.153 3.544 7.394 702 H ILE 92 H ILE 92 11.634 6.359 6.230 703 HA ILE 92 HA ILE 92 9.185 7.970 6.169 704 HB ILE 92 HB ILE 92 11.615 7.955 4.378 705 1HG1 ILE 92 1HG1 ILE 92 12.208 9.074 6.351 706 2HG1 ILE 92 2HG1 ILE 92 11.760 10.349 5.235 707 1HG2 ILE 92 1HG2 ILE 92 8.959 9.356 4.120 708 2HG2 ILE 92 2HG2 ILE 92 10.445 10.023 3.403 709 3HG2 ILE 92 3HG2 ILE 92 9.861 8.417 2.905 710 1HD1 ILE 92 1HD1 ILE 92 9.357 10.111 6.286 711 2HD1 ILE 92 2HD1 ILE 92 10.213 9.287 7.611 712 3HD1 ILE 92 3HD1 ILE 92 10.620 10.970 7.200 713 H PHE 93 H PHE 93 7.424 7.228 5.093 714 HA PHE 93 HA PHE 93 7.877 4.960 3.284 715 1HB PHE 93 1HB PHE 93 6.790 4.505 5.594 716 2HB PHE 93 2HB PHE 93 5.480 5.566 5.114 717 HD1 PHE 93 1HD PHE 93 4.037 4.914 3.158 718 HD2 PHE 93 2HD PHE 93 6.852 2.248 4.884 719 HE1 PHE 93 1HE PHE 93 2.860 2.975 2.083 720 HE2 PHE 93 2HE PHE 93 5.675 0.309 3.808 721 HZ PHE 93 HZ PHE 93 3.693 0.696 2.421 722 H THR 94 H THR 94 7.265 5.377 1.219 723 HA THR 94 HA THR 94 5.135 7.380 0.840 724 HB THR 94 HB THR 94 7.747 6.922 -0.690 725 HG1 THR 94 1HG THR 94 8.233 8.745 0.486 726 1HG2 THR 94 1HG2 THR 94 6.293 7.556 -2.456 727 2HG2 THR 94 2HG2 THR 94 5.232 8.485 -1.370 728 3HG2 THR 94 3HG2 THR 94 6.823 9.135 -1.830 729 H ILE 95 H ILE 95 3.383 6.735 -0.256 730 HA ILE 95 HA ILE 95 3.605 4.136 -1.599 731 HB ILE 95 HB ILE 95 2.113 3.944 0.192 732 1HG1 ILE 95 1HG1 ILE 95 1.358 3.252 -2.221 733 2HG1 ILE 95 2HG1 ILE 95 0.252 3.124 -0.867 734 1HG2 ILE 95 1HG2 ILE 95 0.971 6.605 -0.680 735 2HG2 ILE 95 2HG2 ILE 95 0.168 5.524 0.483 736 3HG2 ILE 95 3HG2 ILE 95 1.773 6.198 0.856 737 1HD1 ILE 95 1HD1 ILE 95 -0.469 4.342 -3.140 738 2HD1 ILE 95 2HD1 ILE 95 -1.047 4.926 -1.561 739 3HD1 ILE 95 3HD1 ILE 95 0.319 5.737 -2.363 740 H VAL 96 H VAL 96 2.585 3.860 -3.673 741 HA VAL 96 HA VAL 96 1.682 6.297 -4.973 742 HB VAL 96 HB VAL 96 3.977 4.615 -6.002 743 1HG1 VAL 96 1HG1 VAL 96 2.618 7.060 -7.186 744 2HG1 VAL 96 2HG1 VAL 96 4.095 6.292 -7.816 745 3HG1 VAL 96 3HG1 VAL 96 2.556 5.399 -7.822 746 1HG2 VAL 96 1HG2 VAL 96 3.868 7.373 -4.761 747 2HG2 VAL 96 2HG2 VAL 96 4.864 5.977 -4.284 748 3HG2 VAL 96 3HG2 VAL 96 5.214 6.845 -5.798 749 H HIS 97 H HIS 97 -0.343 5.651 -5.533 750 HA HIS 97 HA HIS 97 -0.555 2.980 -6.720 751 1HB HIS 97 1HB HIS 97 -1.769 3.370 -4.557 752 2HB HIS 97 2HB HIS 97 -2.738 4.585 -5.366 753 HD1 HIS 97 1HD HIS 97 -4.998 3.462 -5.435 754 HD2 HIS 97 2HD HIS 97 -1.923 0.990 -6.862 755 HE1 HIS 97 1HE HIS 97 -6.134 1.384 -6.386 756 H SER 98 H SER 98 -0.742 3.015 -8.898 757 HA SER 98 HA SER 98 -2.272 5.228 -10.013 758 1HB SER 98 1HB SER 98 0.286 4.046 -11.186 759 2HB SER 98 2HB SER 98 -0.701 5.275 -11.951 760 HG SER 98 HG SER 98 -0.041 5.995 -9.355 761 H GLY 99 H GLY 99 -3.163 4.685 -12.253 762 1HA GLY 99 1HA GLY 99 -3.294 2.661 -13.785 763 2HA GLY 99 2HA GLY 99 -3.839 1.814 -12.351 764 H TRP 100 H TRP 100 -4.527 5.101 -13.760 765 HA TRP 100 HA TRP 100 -7.374 4.369 -13.685 766 1HB TRP 100 1HB TRP 100 -6.358 7.158 -13.196 767 2HB TRP 100 2HB TRP 100 -7.964 6.512 -12.922 768 HD1 TRP 100 HD TRP 100 -4.535 6.747 -11.246 769 HE1 TRP 100 1HE TRP 100 -4.613 5.915 -8.743 770 HE3 TRP 100 3HE TRP 100 -9.243 4.841 -11.475 771 HZ2 TRP 100 2HZ TRP 100 -6.591 4.583 -7.175 772 HZ3 TRP 100 3HZ TRP 100 -10.173 3.792 -9.414 773 HH2 TRP 100 HH TRP 100 -8.928 3.646 -7.316 774 H LYS 101 H LYS 101 -8.629 5.972 -15.230 775 HA LYS 101 HA LYS 101 -6.959 6.359 -17.618 776 1HB LYS 101 1HB LYS 101 -9.830 5.404 -17.422 777 2HB LYS 101 2HB LYS 101 -9.045 5.864 -18.919 778 1HG LYS 101 1HG LYS 101 -7.219 4.144 -18.372 779 2HG LYS 101 2HG LYS 101 -8.224 3.601 -17.044 780 1HD LYS 101 1HD LYS 101 -9.403 2.299 -18.473 781 2HD LYS 101 2HD LYS 101 -9.935 3.730 -19.333 782 1HE LYS 101 1HE LYS 101 -8.825 2.735 -21.091 783 2HE LYS 101 2HE LYS 101 -7.436 3.537 -20.383 784 1HZ LYS 101 1HZ LYS 101 -6.896 1.550 -19.221 785 2HZ LYS 101 2HZ LYS 101 -8.262 0.799 -19.709 786 3HZ LYS 101 3HZ LYS 101 -7.100 1.167 -20.796 787 H GLN 102 H GLN 102 -8.706 7.808 -19.190 788 HA GLN 102 HA GLN 102 -8.340 10.334 -18.285 789 1HB GLN 102 1HB GLN 102 -8.813 9.915 -20.613 790 2HB GLN 102 2HB GLN 102 -10.369 9.196 -20.245 791 1HG GLN 102 1HG GLN 102 -11.053 11.476 -19.253 792 2HG GLN 102 2HG GLN 102 -9.579 12.127 -19.943 793 1HE2 GLN 102 1HE2 GLN 102 -12.553 10.371 -20.695 794 2HE2 GLN 102 2HE2 GLN 102 -12.741 10.921 -22.327 795 H GLY 103 H GLY 103 -9.691 11.958 -17.308 796 1HA GLY 103 1HA GLY 103 -11.382 10.984 -15.246 797 2HA GLY 103 2HA GLY 103 -11.088 12.655 -15.683 798 H ASP 104 H ASP 104 -12.955 9.708 -16.606 799 HA ASP 104 HA ASP 104 -15.322 11.049 -16.827 800 1HB ASP 104 1HB ASP 104 -13.637 11.343 -19.181 801 2HB ASP 104 2HB ASP 104 -15.048 10.393 -19.604 802 H THR 105 H THR 105 -13.172 8.531 -18.283 803 HA THR 105 HA THR 105 -15.204 6.680 -18.892 804 HB THR 105 HB THR 105 -13.106 5.114 -18.835 805 HG1 THR 105 1HG THR 105 -11.147 6.405 -18.552 806 1HG2 THR 105 1HG2 THR 105 -13.126 7.710 -20.456 807 2HG2 THR 105 2HG2 THR 105 -11.963 6.392 -20.738 808 3HG2 THR 105 3HG2 THR 105 -13.703 6.112 -20.987 809 H LYS 106 H LYS 106 -16.491 5.500 -17.635 810 HA LYS 106 HA LYS 106 -16.000 5.482 -14.809 811 1HB LYS 106 1HB LYS 106 -18.253 5.813 -15.652 812 2HB LYS 106 2HB LYS 106 -18.202 4.290 -16.517 813 1HG LYS 106 1HG LYS 106 -17.924 3.065 -14.354 814 2HG LYS 106 2HG LYS 106 -17.965 4.587 -13.485 815 1HD LYS 106 1HD LYS 106 -20.271 4.683 -15.098 816 2HD LYS 106 2HD LYS 106 -20.193 3.008 -14.590 817 1HE LYS 106 1HE LYS 106 -20.953 3.577 -12.531 818 2HE LYS 106 2HE LYS 106 -19.562 4.615 -12.289 819 1HZ LYS 106 1HZ LYS 106 -21.949 5.576 -12.333 820 2HZ LYS 106 2HZ LYS 106 -20.712 6.427 -12.976 821 3HZ LYS 106 3HZ LYS 106 -21.727 5.600 -13.951 822 H VAL 107 H VAL 107 -15.816 3.529 -13.497 823 HA VAL 107 HA VAL 107 -14.141 1.587 -14.844 824 HB VAL 107 HB VAL 107 -14.852 1.521 -11.937 825 1HG1 VAL 107 1HG1 VAL 107 -13.346 -0.142 -12.188 826 2HG1 VAL 107 2HG1 VAL 107 -12.709 0.523 -13.712 827 3HG1 VAL 107 3HG1 VAL 107 -12.153 1.178 -12.153 828 1HG2 VAL 107 1HG2 VAL 107 -13.134 3.602 -13.302 829 2HG2 VAL 107 2HG2 VAL 107 -14.448 3.837 -12.125 830 3HG2 VAL 107 3HG2 VAL 107 -12.895 3.145 -11.598 831 H GLU 108 H GLU 108 -14.912 -0.293 -15.645 832 HA GLU 108 HA GLU 108 -17.627 -0.957 -15.121 833 1HB GLU 108 1HB GLU 108 -17.421 -2.485 -16.902 834 2HB GLU 108 2HB GLU 108 -16.299 -1.214 -17.344 835 1HG GLU 108 1HG GLU 108 -14.570 -2.729 -15.946 836 2HG GLU 108 2HG GLU 108 -15.716 -3.996 -16.332 837 H LYS 109 H LYS 109 -14.460 -1.846 -13.881 838 HA LYS 109 HA LYS 109 -15.247 -4.384 -12.859 839 1HB LYS 109 1HB LYS 109 -12.886 -3.512 -13.456 840 2HB LYS 109 2HB LYS 109 -12.917 -2.729 -11.889 841 1HG LYS 109 1HG LYS 109 -13.704 -5.149 -11.051 842 2HG LYS 109 2HG LYS 109 -12.940 -5.681 -12.535 843 1HD LYS 109 1HD LYS 109 -10.883 -5.469 -11.608 844 2HD LYS 109 2HD LYS 109 -11.179 -3.780 -11.248 845 1HE LYS 109 1HE LYS 109 -12.257 -6.030 -9.493 846 2HE LYS 109 2HE LYS 109 -10.677 -5.318 -9.234 847 1HZ LYS 109 1HZ LYS 109 -12.167 -3.152 -9.395 848 2HZ LYS 109 2HZ LYS 109 -13.275 -4.181 -8.779 849 3HZ LYS 109 3HZ LYS 109 -11.870 -3.924 -7.987 850 H ALA 110 H ALA 110 -14.147 -1.479 -10.989 851 HA ALA 110 HA ALA 110 -15.365 -2.240 -8.638 852 1HB ALA 110 1HB ALA 110 -15.346 0.580 -8.695 853 2HB ALA 110 2HB ALA 110 -14.066 -0.492 -8.076 854 3HB ALA 110 3HB ALA 110 -14.012 0.078 -9.761 855 H GLY 111 H GLY 111 -16.534 0.435 -10.810 856 1HA GLY 111 1HA GLY 111 -18.968 -0.169 -11.508 857 2HA GLY 111 2HA GLY 111 -19.243 -0.031 -9.783 858 H ALA 112 H ALA 112 -18.089 2.085 -8.785 859 HA ALA 112 HA ALA 112 -19.395 4.266 -10.011 860 1HB ALA 112 1HB ALA 112 -18.115 5.540 -8.198 861 2HB ALA 112 2HB ALA 112 -19.180 4.230 -7.633 862 3HB ALA 112 3HB ALA 112 -17.421 3.971 -7.722 863 H GLU 113 H GLU 113 -18.170 6.388 -10.500 864 HA GLU 113 HA GLU 113 -16.584 5.973 -12.682 865 1HB GLU 113 1HB GLU 113 -17.510 8.241 -11.088 866 2HB GLU 113 2HB GLU 113 -15.885 8.528 -11.677 867 1HG GLU 113 1HG GLU 113 -16.785 7.710 -13.994 868 2HG GLU 113 2HG GLU 113 -18.382 7.921 -13.304 869 H SER 114 H SER 114 -14.254 6.676 -13.026 870 HA SER 114 HA SER 114 -12.634 5.261 -11.256 871 1HB SER 114 1HB SER 114 -12.408 6.463 -13.835 872 2HB SER 114 2HB SER 114 -11.115 7.145 -12.868 873 HG SER 114 HG SER 114 -10.799 4.974 -14.070 874 H ALA 115 H ALA 115 -13.208 8.787 -11.827 875 HA ALA 115 HA ALA 115 -11.267 9.736 -10.071 876 1HB ALA 115 1HB ALA 115 -12.057 11.702 -10.835 877 2HB ALA 115 2HB ALA 115 -13.231 10.766 -11.792 878 3HB ALA 115 3HB ALA 115 -13.681 11.377 -10.181 879 H VAL 116 H VAL 116 -14.785 9.000 -9.568 880 HA VAL 116 HA VAL 116 -14.921 9.766 -6.924 881 HB VAL 116 HB VAL 116 -16.363 7.667 -8.539 882 1HG1 VAL 116 1HG1 VAL 116 -16.944 6.777 -6.535 883 2HG1 VAL 116 2HG1 VAL 116 -16.527 8.254 -5.633 884 3HG1 VAL 116 3HG1 VAL 116 -18.079 8.148 -6.499 885 1HG2 VAL 116 1HG2 VAL 116 -17.268 9.538 -9.395 886 2HG2 VAL 116 2HG2 VAL 116 -18.153 9.645 -7.854 887 3HG2 VAL 116 3HG2 VAL 116 -16.642 10.558 -8.077 888 H VAL 117 H VAL 117 -14.155 6.502 -8.321 889 HA VAL 117 HA VAL 117 -13.717 5.275 -5.855 890 HB VAL 117 HB VAL 117 -12.703 4.705 -8.643 891 1HG1 VAL 117 1HG1 VAL 117 -11.923 2.588 -7.945 892 2HG1 VAL 117 2HG1 VAL 117 -11.282 3.735 -6.744 893 3HG1 VAL 117 3HG1 VAL 117 -12.699 2.731 -6.350 894 1HG2 VAL 117 1HG2 VAL 117 -15.242 4.623 -7.878 895 2HG2 VAL 117 2HG2 VAL 117 -14.555 3.381 -8.951 896 3HG2 VAL 117 3HG2 VAL 117 -14.747 3.048 -7.213 897 H HIS 118 H HIS 118 -11.591 7.168 -8.045 898 HA HIS 118 HA HIS 118 -9.177 6.568 -6.881 899 1HB HIS 118 1HB HIS 118 -8.854 7.759 -8.774 900 2HB HIS 118 2HB HIS 118 -10.293 8.734 -8.548 901 HD1 HIS 118 1HD HIS 118 -7.558 8.607 -5.926 902 HD2 HIS 118 2HD HIS 118 -8.972 11.172 -8.929 903 HE1 HIS 118 1HE HIS 118 -6.358 10.833 -5.588 904 H GLU 119 H GLU 119 -11.484 9.253 -6.069 905 HA GLU 119 HA GLU 119 -9.956 10.226 -3.977 906 1HB GLU 119 1HB GLU 119 -12.930 10.385 -4.598 907 2HB GLU 119 2HB GLU 119 -12.224 11.217 -3.227 908 1HG GLU 119 1HG GLU 119 -10.597 12.345 -4.814 909 2HG GLU 119 2HG GLU 119 -11.434 11.589 -6.155 910 H ARG 120 H ARG 120 -12.638 7.804 -4.079 911 HA ARG 120 HA ARG 120 -12.868 7.489 -1.361 912 1HB ARG 120 1HB ARG 120 -13.587 5.918 -3.802 913 2HB ARG 120 2HB ARG 120 -13.488 4.976 -2.328 914 1HG ARG 120 1HG ARG 120 -14.896 7.178 -1.437 915 2HG ARG 120 2HG ARG 120 -15.445 7.091 -3.099 916 1HD ARG 120 1HD ARG 120 -16.915 5.746 -1.623 917 2HD ARG 120 2HD ARG 120 -16.106 4.716 -2.787 918 HE ARG 120 HE ARG 120 -14.413 4.757 -0.547 919 1HH1 ARG 120 2HH2 ARG 120 -17.737 3.810 -1.208 920 2HH1 ARG 120 1HH2 ARG 120 -17.772 2.597 0.029 921 1HH2 ARG 120 2HH1 ARG 120 -14.459 3.157 1.084 922 2HH2 ARG 120 1HH1 ARG 120 -15.895 2.223 1.341 923 H MET 121 H MET 121 -11.012 5.492 -3.780 924 HA MET 121 HA MET 121 -9.888 3.787 -1.941 925 1HB MET 121 1HB MET 121 -9.324 4.709 -4.749 926 2HB MET 121 2HB MET 121 -7.981 3.930 -3.936 927 1HG MET 121 1HG MET 121 -10.708 2.619 -3.827 928 2HG MET 121 2HG MET 121 -9.766 2.485 -5.298 929 1HE MET 121 1HE MET 121 -8.725 0.641 -5.744 930 2HE MET 121 2HE MET 121 -7.891 -0.519 -4.682 931 3HE MET 121 3HE MET 121 -9.669 -0.442 -4.693 932 H ASP 122 H ASP 122 -8.587 6.872 -3.344 933 HA ASP 122 HA ASP 122 -6.140 6.833 -2.202 934 1HB ASP 122 1HB ASP 122 -7.156 8.565 -3.791 935 2HB ASP 122 2HB ASP 122 -7.934 9.296 -2.401 936 H ARG 123 H ARG 123 -9.262 8.151 -0.873 937 HA ARG 123 HA ARG 123 -8.375 9.209 1.426 938 1HB ARG 123 1HB ARG 123 -10.920 7.984 0.486 939 2HB ARG 123 2HB ARG 123 -10.758 8.007 2.230 940 1HG ARG 123 1HG ARG 123 -9.880 10.564 1.158 941 2HG ARG 123 2HG ARG 123 -11.462 10.183 0.510 942 1HD ARG 123 1HD ARG 123 -12.357 9.825 2.791 943 2HD ARG 123 2HD ARG 123 -10.766 10.069 3.485 944 HE ARG 123 HE ARG 123 -11.641 12.317 1.826 945 1HH1 ARG 123 2HH2 ARG 123 -11.763 10.903 5.046 946 2HH1 ARG 123 1HH2 ARG 123 -12.092 12.410 5.834 947 1HH2 ARG 123 2HH1 ARG 123 -12.074 14.306 2.866 948 2HH2 ARG 123 1HH1 ARG 123 -12.270 14.358 4.586 949 H GLY 124 H GLY 124 -9.594 5.796 1.011 950 1HA GLY 124 1HA GLY 124 -8.873 4.935 3.594 951 2HA GLY 124 2HA GLY 124 -9.229 3.926 2.206 952 H TRP 125 H TRP 125 -7.127 5.067 0.453 953 HA TRP 125 HA TRP 125 -5.044 3.346 1.111 954 1HB TRP 125 1HB TRP 125 -5.671 5.299 -0.950 955 2HB TRP 125 2HB TRP 125 -3.964 5.304 -0.550 956 HD1 TRP 125 HD TRP 125 -6.178 3.634 -2.885 957 HE1 TRP 125 1HE TRP 125 -5.262 1.347 -3.832 958 HE3 TRP 125 3HE TRP 125 -2.553 3.028 0.629 959 HZ2 TRP 125 2HZ TRP 125 -3.171 -0.418 -3.023 960 HZ3 TRP 125 3HZ TRP 125 -1.117 0.995 0.478 961 HH2 TRP 125 HH TRP 125 -1.381 -0.694 -1.269 962 H HIS 126 H HIS 126 -5.518 6.904 1.589 963 HA HIS 126 HA HIS 126 -2.983 7.301 2.734 964 1HB HIS 126 1HB HIS 126 -4.637 8.986 1.677 965 2HB HIS 126 2HB HIS 126 -5.409 9.017 3.250 966 HD1 HIS 126 1HD HIS 126 -4.734 11.493 3.665 967 HD2 HIS 126 2HD HIS 126 -1.484 8.902 3.096 968 HE1 HIS 126 1HE HIS 126 -2.652 12.794 4.361 969 H ASP 127 H ASP 127 -6.302 7.010 4.190 970 HA ASP 127 HA ASP 127 -5.570 7.218 6.784 971 1HB ASP 127 1HB ASP 127 -7.657 5.322 5.606 972 2HB ASP 127 2HB ASP 127 -7.607 5.843 7.279 973 H LEU 128 H LEU 128 -5.324 4.460 4.509 974 HA LEU 128 HA LEU 128 -4.829 2.462 6.421 975 1HB LEU 128 1HB LEU 128 -5.578 1.915 4.221 976 2HB LEU 128 2HB LEU 128 -4.201 2.708 3.481 977 HG LEU 128 HG LEU 128 -2.689 1.011 4.303 978 1HD1 LEU 128 1HD1 LEU 128 -4.938 0.359 6.080 979 2HD1 LEU 128 2HD1 LEU 128 -4.132 -1.058 5.365 980 3HD1 LEU 128 3HD1 LEU 128 -3.187 0.127 6.299 981 1HD2 LEU 128 1HD2 LEU 128 -4.052 0.642 2.203 982 2HD2 LEU 128 2HD2 LEU 128 -3.363 -0.816 2.958 983 3HD2 LEU 128 3HD2 LEU 128 -5.089 -0.436 3.169 984 H VAL 129 H VAL 129 -2.604 4.456 4.357 985 HA VAL 129 HA VAL 129 -0.379 3.512 5.975 986 HB VAL 129 HB VAL 129 -0.252 3.523 3.513 987 1HG1 VAL 129 1HG1 VAL 129 0.227 6.353 3.136 988 2HG1 VAL 129 2HG1 VAL 129 -0.875 5.263 2.262 989 3HG1 VAL 129 3HG1 VAL 129 -1.421 6.073 3.750 990 1HG2 VAL 129 1HG2 VAL 129 1.857 5.344 3.693 991 2HG2 VAL 129 2HG2 VAL 129 1.646 4.744 5.356 992 3HG2 VAL 129 3HG2 VAL 129 1.924 3.596 4.023 993 H ASN 130 H ASN 130 -2.327 5.041 7.384 994 HA ASN 130 HA ASN 130 -0.825 7.516 7.741 995 1HB ASN 130 1HB ASN 130 -3.649 7.088 7.286 996 2HB ASN 130 2HB ASN 130 -3.469 7.673 8.928 997 1HD2 ASN 130 1HD2 ASN 130 -1.718 8.270 5.881 998 2HD2 ASN 130 2HD2 ASN 130 -1.866 9.995 5.877 999 H GLU 131 H GLU 131 -3.157 5.231 9.378 1000 HA GLU 131 HA GLU 131 -1.435 5.394 11.724 1001 1HB GLU 131 1HB GLU 131 -3.484 5.242 13.149 1002 2HB GLU 131 2HB GLU 131 -3.428 6.715 12.202 1003 1HG GLU 131 1HG GLU 131 -5.583 6.106 11.663 1004 2HG GLU 131 2HG GLU 131 -4.772 5.157 10.433 1005 H ARG 132 H ARG 132 -3.888 3.539 9.839 1006 HA ARG 132 HA ARG 132 -3.946 1.255 11.240 1007 1HB ARG 132 1HB ARG 132 -3.804 1.514 8.192 1008 2HB ARG 132 2HB ARG 132 -4.418 0.113 9.048 1009 1HG ARG 132 1HG ARG 132 -5.663 2.658 9.926 1010 2HG ARG 132 2HG ARG 132 -5.937 2.303 8.232 1011 1HD ARG 132 1HD ARG 132 -6.328 -0.171 9.589 1012 2HD ARG 132 2HD ARG 132 -7.115 1.034 10.589 1013 HE ARG 132 HE ARG 132 -7.881 1.624 7.941 1014 1HH1 ARG 132 2HH2 ARG 132 -8.218 -1.071 10.179 1015 2HH1 ARG 132 1HH2 ARG 132 -9.711 -1.620 9.493 1016 1HH2 ARG 132 2HH1 ARG 132 -9.851 0.900 7.037 1017 2HH2 ARG 132 1HH1 ARG 132 -10.646 -0.491 7.694 1018 H LEU 133 H LEU 133 -1.372 2.460 9.057 1019 HA LEU 133 HA LEU 133 0.082 -0.027 9.210 1020 1HB LEU 133 1HB LEU 133 0.155 1.079 7.132 1021 2HB LEU 133 2HB LEU 133 0.535 2.625 7.864 1022 HG LEU 133 HG LEU 133 2.768 1.802 8.489 1023 1HD1 LEU 133 1HD1 LEU 133 2.878 -0.425 8.805 1024 2HD1 LEU 133 2HD1 LEU 133 1.634 -0.774 7.581 1025 3HD1 LEU 133 3HD1 LEU 133 3.309 -0.444 7.078 1026 1HD2 LEU 133 1HD2 LEU 133 3.724 2.133 6.421 1027 2HD2 LEU 133 2HD2 LEU 133 2.485 1.181 5.569 1028 3HD2 LEU 133 3HD2 LEU 133 2.097 2.811 6.171 1029 H ARG 134 H ARG 134 0.304 3.346 10.482 1030 HA ARG 134 HA ARG 134 2.714 3.137 11.697 1031 1HB ARG 134 1HB ARG 134 1.203 5.191 11.524 1032 2HB ARG 134 2HB ARG 134 0.267 4.556 12.864 1033 1HG ARG 134 1HG ARG 134 2.952 4.420 13.752 1034 2HG ARG 134 2HG ARG 134 2.851 5.949 12.901 1035 1HD ARG 134 1HD ARG 134 0.469 5.572 14.553 1036 2HD ARG 134 2HD ARG 134 1.910 5.373 15.530 1037 HE ARG 134 HE ARG 134 2.384 7.652 15.264 1038 1HH1 ARG 134 2HH2 ARG 134 0.019 6.672 12.850 1039 2HH1 ARG 134 1HH2 ARG 134 -0.281 8.287 12.302 1040 1HH2 ARG 134 2HH1 ARG 134 1.989 9.784 14.542 1041 2HH2 ARG 134 1HH1 ARG 134 0.847 10.070 13.271 1042 H GLN 135 H GLN 135 -0.473 1.866 12.700 1043 HA GLN 135 HA GLN 135 0.200 1.341 15.348 1044 1HB GLN 135 1HB GLN 135 -2.066 1.082 13.707 1045 2HB GLN 135 2HB GLN 135 -1.709 -0.567 14.179 1046 1HG GLN 135 1HG GLN 135 -1.550 0.258 16.600 1047 2HG GLN 135 2HG GLN 135 -2.142 1.811 16.043 1048 1HE2 GLN 135 1HE2 GLN 135 -4.024 1.740 17.181 1049 2HE2 GLN 135 2HE2 GLN 135 -5.345 0.680 16.821 1050 H ILE 136 H ILE 136 0.909 -0.302 12.300 1051 HA ILE 136 HA ILE 136 1.440 -2.847 13.379 1052 HB ILE 136 HB ILE 136 2.450 -1.508 10.868 1053 1HG1 ILE 136 1HG1 ILE 136 0.050 -1.533 10.869 1054 2HG1 ILE 136 2HG1 ILE 136 0.622 -2.770 9.767 1055 1HG2 ILE 136 1HG2 ILE 136 2.868 -3.779 10.048 1056 2HG2 ILE 136 2HG2 ILE 136 3.851 -3.408 11.485 1057 3HG2 ILE 136 3HG2 ILE 136 2.408 -4.439 11.636 1058 1HD1 ILE 136 1HD1 ILE 136 0.462 -4.266 12.036 1059 2HD1 ILE 136 2HD1 ILE 136 -0.803 -3.062 12.380 1060 3HD1 ILE 136 3HD1 ILE 136 -0.903 -4.063 10.911 1061 H VAL 137 H VAL 137 3.141 0.214 13.430 1062 HA VAL 137 HA VAL 137 5.545 -1.187 14.372 1063 HB VAL 137 HB VAL 137 6.717 0.915 13.819 1064 1HG1 VAL 137 1HG1 VAL 137 6.012 0.658 11.189 1065 2HG1 VAL 137 2HG1 VAL 137 7.124 -0.430 12.054 1066 3HG1 VAL 137 3HG1 VAL 137 5.410 -0.874 11.866 1067 1HG2 VAL 137 1HG2 VAL 137 4.642 2.360 14.020 1068 2HG2 VAL 137 2HG2 VAL 137 5.687 2.695 12.619 1069 3HG2 VAL 137 3HG2 VAL 137 4.179 1.773 12.405 1070 H GLU 138 H GLU 138 2.803 0.747 15.233 1071 HA GLU 138 HA GLU 138 4.153 1.529 17.693 1072 1HB GLU 138 1HB GLU 138 1.925 2.736 16.075 1073 2HB GLU 138 2HB GLU 138 1.869 2.958 17.813 1074 1HG GLU 138 1HG GLU 138 4.527 3.525 17.292 1075 2HG GLU 138 2HG GLU 138 3.768 4.094 15.819 Start of MODEL 2 1 1H MET 1 H MET 1 -8.129 19.406 -15.191 2 HA MET 1 HA MET 1 -9.451 20.602 -16.800 3 1HB MET 1 1HB MET 1 -8.588 20.501 -19.214 4 2HB MET 1 2HB MET 1 -7.642 21.531 -18.157 5 1HG MET 1 1HG MET 1 -6.240 19.285 -17.743 6 2HG MET 1 2HG MET 1 -6.940 18.811 -19.278 7 1HE MET 1 1HE MET 1 -3.340 21.019 -18.527 8 2HE MET 1 2HE MET 1 -4.235 19.692 -17.748 9 3HE MET 1 3HE MET 1 -3.458 19.434 -19.329 10 H THR 2 H THR 2 -7.401 17.683 -17.428 11 HA THR 2 HA THR 2 -9.833 16.092 -17.560 12 HB THR 2 HB THR 2 -8.931 15.042 -19.728 13 HG1 THR 2 1HG THR 2 -6.811 15.859 -19.781 14 1HG2 THR 2 1HG2 THR 2 -10.750 16.885 -19.699 15 2HG2 THR 2 2HG2 THR 2 -9.435 18.042 -20.019 16 3HG2 THR 2 3HG2 THR 2 -9.799 16.760 -21.199 17 H ARG 3 H ARG 3 -8.831 13.652 -18.208 18 HA ARG 3 HA ARG 3 -7.961 11.951 -17.172 19 1HB ARG 3 1HB ARG 3 -5.492 11.889 -17.095 20 2HB ARG 3 2HB ARG 3 -6.016 12.717 -18.548 21 1HG ARG 3 1HG ARG 3 -5.496 14.882 -17.638 22 2HG ARG 3 2HG ARG 3 -5.383 14.261 -16.003 23 1HD ARG 3 1HD ARG 3 -3.238 13.426 -16.312 24 2HD ARG 3 2HD ARG 3 -3.519 13.015 -17.992 25 HE ARG 3 HE ARG 3 -2.653 15.095 -18.586 26 1HH1 ARG 3 2HH2 ARG 3 -3.823 15.279 -15.273 27 2HH1 ARG 3 1HH2 ARG 3 -3.266 16.901 -15.031 28 1HH2 ARG 3 2HH1 ARG 3 -1.917 17.235 -18.268 29 2HH2 ARG 3 1HH1 ARG 3 -2.174 18.021 -16.746 30 H LEU 4 H LEU 4 -6.054 11.460 -15.198 31 HA LEU 4 HA LEU 4 -6.673 13.260 -12.993 32 1HB LEU 4 1HB LEU 4 -7.097 10.282 -12.777 33 2HB LEU 4 2HB LEU 4 -7.398 11.496 -11.550 34 HG LEU 4 HG LEU 4 -8.878 11.690 -14.149 35 1HD1 LEU 4 1HD1 LEU 4 -8.903 9.270 -13.173 36 2HD1 LEU 4 2HD1 LEU 4 -9.997 9.972 -11.957 37 3HD1 LEU 4 3HD1 LEU 4 -10.424 10.042 -13.684 38 1HD2 LEU 4 1HD2 LEU 4 -8.938 12.989 -11.615 39 2HD2 LEU 4 2HD2 LEU 4 -9.937 13.299 -13.055 40 3HD2 LEU 4 3HD2 LEU 4 -10.479 12.125 -11.832 41 HA PRO 5 HA PRO 5 -2.507 12.450 -12.185 42 1HB PRO 5 1HB PRO 5 -2.297 13.451 -9.651 43 2HB PRO 5 2HB PRO 5 -2.264 14.458 -11.085 44 1HG PRO 5 1HG PRO 5 -4.452 14.085 -9.132 45 2HG PRO 5 2HG PRO 5 -4.231 15.371 -10.301 46 1HD PRO 5 1HD PRO 5 -6.042 13.157 -10.507 47 2HD PRO 5 2HD PRO 5 -5.738 14.379 -11.726 48 H ASP 6 H ASP 6 -0.972 11.566 -10.328 49 HA ASP 6 HA ASP 6 -2.038 8.953 -9.934 50 1HB ASP 6 1HB ASP 6 0.530 9.749 -8.622 51 2HB ASP 6 2HB ASP 6 0.162 8.315 -9.560 52 H ILE 7 H ILE 7 -1.846 7.898 -7.674 53 HA ILE 7 HA ILE 7 -2.687 9.850 -5.664 54 HB ILE 7 HB ILE 7 -3.157 6.894 -5.999 55 1HG1 ILE 7 1HG1 ILE 7 -5.130 9.180 -5.756 56 2HG1 ILE 7 2HG1 ILE 7 -4.540 8.568 -7.289 57 1HG2 ILE 7 1HG2 ILE 7 -4.661 7.559 -3.836 58 2HG2 ILE 7 2HG2 ILE 7 -3.067 6.771 -3.757 59 3HG2 ILE 7 3HG2 ILE 7 -3.200 8.533 -3.545 60 1HD1 ILE 7 1HD1 ILE 7 -6.668 7.480 -6.748 61 2HD1 ILE 7 2HD1 ILE 7 -5.362 6.273 -6.666 62 3HD1 ILE 7 3HD1 ILE 7 -6.034 6.960 -5.168 63 H LYS 8 H LYS 8 -0.194 10.351 -5.769 64 HA LYS 8 HA LYS 8 1.377 8.406 -4.322 65 1HB LYS 8 1HB LYS 8 2.594 9.414 -6.034 66 2HB LYS 8 2HB LYS 8 1.928 11.005 -5.727 67 1HG LYS 8 1HG LYS 8 3.144 11.041 -3.507 68 2HG LYS 8 2HG LYS 8 3.872 9.500 -3.914 69 1HD LYS 8 1HD LYS 8 4.129 11.938 -5.725 70 2HD LYS 8 2HD LYS 8 5.262 11.621 -4.427 71 1HE LYS 8 1HE LYS 8 4.649 9.424 -6.423 72 2HE LYS 8 2HE LYS 8 5.749 10.711 -6.877 73 1HZ LYS 8 1HZ LYS 8 6.676 8.660 -5.732 74 2HZ LYS 8 2HZ LYS 8 7.214 10.117 -5.227 75 3HZ LYS 8 3HZ LYS 8 6.106 9.305 -4.344 76 H LYS 9 H LYS 9 1.826 8.438 -2.161 77 HA LYS 9 HA LYS 9 1.107 10.865 -0.698 78 1HB LYS 9 1HB LYS 9 -0.156 8.199 -0.476 79 2HB LYS 9 2HB LYS 9 0.323 8.917 1.049 80 1HG LYS 9 1HG LYS 9 -1.623 10.095 0.934 81 2HG LYS 9 2HG LYS 9 -0.818 11.088 -0.264 82 1HD LYS 9 1HD LYS 9 -1.602 9.295 -2.001 83 2HD LYS 9 2HD LYS 9 -2.675 8.725 -0.737 84 1HE LYS 9 1HE LYS 9 -3.867 10.339 -2.161 85 2HE LYS 9 2HE LYS 9 -3.680 11.007 -0.552 86 1HZ LYS 9 1HZ LYS 9 -1.648 11.570 -2.558 87 2HZ LYS 9 2HZ LYS 9 -3.055 12.399 -2.595 88 3HZ LYS 9 3HZ LYS 9 -2.102 12.467 -1.271 89 H GLU 10 H GLU 10 1.983 10.638 1.677 90 HA GLU 10 HA GLU 10 4.274 8.934 1.837 91 1HB GLU 10 1HB GLU 10 5.139 10.912 0.579 92 2HB GLU 10 2HB GLU 10 4.617 11.965 1.880 93 1HG GLU 10 1HG GLU 10 6.323 9.662 2.726 94 2HG GLU 10 2HG GLU 10 7.125 10.845 1.712 95 H VAL 11 H VAL 11 4.741 8.416 3.983 96 HA VAL 11 HA VAL 11 3.660 10.143 6.056 97 HB VAL 11 HB VAL 11 2.705 8.051 7.156 98 1HG1 VAL 11 1HG1 VAL 11 0.958 8.468 4.840 99 2HG1 VAL 11 2HG1 VAL 11 0.692 8.840 6.561 100 3HG1 VAL 11 3HG1 VAL 11 1.580 9.987 5.529 101 1HG2 VAL 11 1HG2 VAL 11 3.728 6.856 4.782 102 2HG2 VAL 11 2HG2 VAL 11 2.838 6.084 6.117 103 3HG2 VAL 11 3HG2 VAL 11 1.953 6.743 4.720 104 H ARG 12 H ARG 12 4.796 9.968 8.035 105 HA ARG 12 HA ARG 12 7.193 8.341 7.773 106 1HB ARG 12 1HB ARG 12 8.356 9.978 9.120 107 2HB ARG 12 2HB ARG 12 7.442 10.885 7.932 108 1HG ARG 12 1HG ARG 12 5.586 10.684 9.969 109 2HG ARG 12 2HG ARG 12 7.078 10.729 10.887 110 1HD ARG 12 1HD ARG 12 7.571 12.908 10.257 111 2HD ARG 12 2HD ARG 12 6.875 12.723 8.660 112 HE ARG 12 HE ARG 12 4.779 12.577 10.622 113 1HH1 ARG 12 2HH2 ARG 12 6.972 14.895 9.138 114 2HH1 ARG 12 1HH2 ARG 12 5.914 16.245 9.382 115 1HH2 ARG 12 2HH1 ARG 12 3.384 14.357 10.945 116 2HH2 ARG 12 1HH1 ARG 12 3.860 15.937 10.417 117 H PHE 13 H PHE 13 7.900 7.087 9.622 118 HA PHE 13 HA PHE 13 5.936 6.948 11.795 119 1HB PHE 13 1HB PHE 13 7.469 4.686 10.377 120 2HB PHE 13 2HB PHE 13 6.353 4.450 11.707 121 HD1 PHE 13 1HD PHE 13 6.383 3.389 8.730 122 HD2 PHE 13 2HD PHE 13 4.220 6.416 10.772 123 HE1 PHE 13 1HE PHE 13 4.492 3.138 7.099 124 HE2 PHE 13 2HE PHE 13 2.329 6.165 9.141 125 HZ PHE 13 HZ PHE 13 2.487 4.529 7.324 126 H ASN 14 H ASN 14 6.783 6.374 13.879 127 HA ASN 14 HA ASN 14 9.593 6.999 14.064 128 1HB ASN 14 1HB ASN 14 7.328 7.657 15.616 129 2HB ASN 14 2HB ASN 14 8.157 6.465 16.597 130 1HD2 ASN 14 1HD2 ASN 14 8.391 8.329 18.027 131 2HD2 ASN 14 2HD2 ASN 14 9.750 9.387 17.841 132 H ALA 15 H ALA 15 10.729 5.047 13.620 133 HA ALA 15 HA ALA 15 11.068 3.166 15.551 134 1HB ALA 15 1HB ALA 15 9.306 1.778 15.485 135 2HB ALA 15 2HB ALA 15 8.553 2.774 14.216 136 3HB ALA 15 3HB ALA 15 9.645 1.440 13.771 137 HA PRO 16 HA PRO 16 13.996 1.858 12.636 138 1HB PRO 16 1HB PRO 16 14.272 -0.840 12.970 139 2HB PRO 16 2HB PRO 16 14.980 0.337 14.058 140 1HG PRO 16 1HG PRO 16 12.609 -1.379 14.472 141 2HG PRO 16 2HG PRO 16 13.571 -0.530 15.665 142 1HD PRO 16 1HD PRO 16 10.991 0.240 14.676 143 2HD PRO 16 2HD PRO 16 12.003 1.148 15.781 144 H ILE 17 H ILE 17 14.176 1.759 10.480 145 HA ILE 17 HA ILE 17 11.935 1.168 8.987 146 HB ILE 17 HB ILE 17 13.823 2.545 8.262 147 1HG1 ILE 17 1HG1 ILE 17 13.650 0.388 6.199 148 2HG1 ILE 17 2HG1 ILE 17 12.157 1.145 6.719 149 1HG2 ILE 17 1HG2 ILE 17 15.938 1.854 8.157 150 2HG2 ILE 17 2HG2 ILE 17 15.404 0.410 9.052 151 3HG2 ILE 17 3HG2 ILE 17 15.497 0.372 7.275 152 1HD1 ILE 17 1HD1 ILE 17 13.779 2.159 4.758 153 2HD1 ILE 17 2HD1 ILE 17 12.669 3.153 5.733 154 3HD1 ILE 17 3HD1 ILE 17 14.390 3.045 6.176 155 H GLU 18 H GLU 18 14.455 -0.939 10.319 156 HA GLU 18 HA GLU 18 14.150 -3.093 8.660 157 1HB GLU 18 1HB GLU 18 15.577 -2.510 10.972 158 2HB GLU 18 2HB GLU 18 14.503 -3.782 11.520 159 1HG GLU 18 1HG GLU 18 15.694 -4.349 8.869 160 2HG GLU 18 2HG GLU 18 16.898 -4.155 10.127 161 H LYS 19 H LYS 19 12.220 -2.060 11.518 162 HA LYS 19 HA LYS 19 10.648 -4.401 11.615 163 1HB LYS 19 1HB LYS 19 11.065 -2.628 13.431 164 2HB LYS 19 2HB LYS 19 9.834 -1.674 12.628 165 1HG LYS 19 1HG LYS 19 8.120 -3.241 13.087 166 2HG LYS 19 2HG LYS 19 9.246 -4.568 13.294 167 1HD LYS 19 1HD LYS 19 10.143 -3.172 15.349 168 2HD LYS 19 2HD LYS 19 8.621 -2.311 15.224 169 1HE LYS 19 1HE LYS 19 7.401 -4.524 15.362 170 2HE LYS 19 2HE LYS 19 8.941 -5.330 15.586 171 1HZ LYS 19 1HZ LYS 19 9.063 -3.432 17.434 172 2HZ LYS 19 2HZ LYS 19 7.456 -3.722 17.430 173 3HZ LYS 19 3HZ LYS 19 8.504 -4.940 17.719 174 H VAL 20 H VAL 20 10.002 -1.075 10.301 175 HA VAL 20 HA VAL 20 7.516 -1.651 9.244 176 HB VAL 20 HB VAL 20 9.627 0.255 8.214 177 1HG1 VAL 20 1HG1 VAL 20 7.917 1.451 7.126 178 2HG1 VAL 20 2HG1 VAL 20 7.572 -0.255 6.754 179 3HG1 VAL 20 3HG1 VAL 20 6.631 0.591 8.005 180 1HG2 VAL 20 1HG2 VAL 20 9.366 1.439 10.083 181 2HG2 VAL 20 2HG2 VAL 20 7.614 1.543 9.787 182 3HG2 VAL 20 3HG2 VAL 20 8.280 0.185 10.726 183 H TRP 21 H TRP 21 10.816 -2.028 7.823 184 HA TRP 21 HA TRP 21 10.022 -2.761 5.273 185 1HB TRP 21 1HB TRP 21 12.301 -2.172 5.854 186 2HB TRP 21 2HB TRP 21 12.446 -3.586 6.880 187 HD1 TRP 21 HD TRP 21 13.909 -5.357 5.654 188 HE1 TRP 21 1HE TRP 21 14.251 -6.310 3.217 189 HE3 TRP 21 3HE TRP 21 10.538 -2.280 3.412 190 HZ2 TRP 21 2HZ TRP 21 13.099 -5.684 0.682 191 HZ3 TRP 21 3HZ TRP 21 10.207 -2.516 0.953 192 HH2 TRP 21 HH TRP 21 11.422 -4.146 -0.405 193 H GLU 22 H GLU 22 10.712 -4.779 8.217 194 HA GLU 22 HA GLU 22 10.090 -7.185 6.994 195 1HB GLU 22 1HB GLU 22 10.926 -6.280 9.557 196 2HB GLU 22 2HB GLU 22 9.465 -7.205 9.840 197 1HG GLU 22 1HG GLU 22 10.753 -8.834 8.023 198 2HG GLU 22 2HG GLU 22 12.125 -8.120 8.848 199 H ALA 23 H ALA 23 8.084 -4.580 8.221 200 HA ALA 23 HA ALA 23 5.749 -6.247 8.510 201 1HB ALA 23 1HB ALA 23 5.398 -3.323 8.395 202 2HB ALA 23 2HB ALA 23 4.943 -4.478 9.670 203 3HB ALA 23 3HB ALA 23 6.606 -3.848 9.592 204 H VAL 24 H VAL 24 7.452 -4.522 6.002 205 HA VAL 24 HA VAL 24 5.058 -4.686 4.306 206 HB VAL 24 HB VAL 24 5.939 -2.897 3.021 207 1HG1 VAL 24 1HG1 VAL 24 6.538 -1.255 5.122 208 2HG1 VAL 24 2HG1 VAL 24 4.890 -1.718 4.635 209 3HG1 VAL 24 3HG1 VAL 24 5.708 -2.594 5.951 210 1HG2 VAL 24 1HG2 VAL 24 8.454 -3.802 3.920 211 2HG2 VAL 24 2HG2 VAL 24 8.116 -2.469 2.789 212 3HG2 VAL 24 3HG2 VAL 24 8.285 -2.139 4.530 213 H SER 25 H SER 25 7.361 -6.664 5.177 214 HA SER 25 HA SER 25 8.123 -7.315 2.437 215 1HB SER 25 1HB SER 25 10.171 -8.236 3.242 216 2HB SER 25 2HB SER 25 9.987 -6.713 4.089 217 HG SER 25 HG SER 25 8.789 -8.318 5.726 218 H THR 26 H THR 26 6.777 -8.406 5.552 219 HA THR 26 HA THR 26 6.450 -11.119 4.511 220 HB THR 26 HB THR 26 5.731 -11.527 6.916 221 HG1 THR 26 1HG THR 26 5.957 -9.631 8.292 222 1HG2 THR 26 1HG2 THR 26 7.943 -11.835 7.387 223 2HG2 THR 26 2HG2 THR 26 8.371 -10.815 5.992 224 3HG2 THR 26 3HG2 THR 26 8.140 -10.079 7.596 225 H SER 27 H SER 27 4.306 -12.199 4.826 226 HA SER 27 HA SER 27 2.363 -10.535 3.603 227 1HB SER 27 1HB SER 27 1.975 -13.367 4.652 228 2HB SER 27 2HB SER 27 1.045 -12.564 3.402 229 HG SER 27 HG SER 27 3.259 -14.063 3.099 230 H GLU 28 H GLU 28 2.728 -12.272 6.764 231 HA GLU 28 HA GLU 28 0.264 -11.569 7.778 232 1HB GLU 28 1HB GLU 28 2.599 -12.925 8.671 233 2HB GLU 28 2HB GLU 28 2.294 -11.680 9.865 234 1HG GLU 28 1HG GLU 28 0.104 -13.547 8.854 235 2HG GLU 28 2HG GLU 28 1.107 -13.938 10.237 236 H GLY 29 H GLY 29 3.377 -9.811 7.647 237 1HA GLY 29 1HA GLY 29 2.606 -7.738 9.456 238 2HA GLY 29 2HA GLY 29 3.977 -7.753 8.364 239 H LEU 30 H LEU 30 2.405 -8.296 5.909 240 HA LEU 30 HA LEU 30 1.659 -5.586 5.379 241 1HB LEU 30 1HB LEU 30 2.309 -8.000 3.888 242 2HB LEU 30 2HB LEU 30 0.943 -7.148 3.197 243 HG LEU 30 HG LEU 30 3.257 -5.439 3.893 244 1HD1 LEU 30 1HD1 LEU 30 4.598 -6.097 1.972 245 2HD1 LEU 30 2HD1 LEU 30 4.417 -7.458 3.106 246 3HD1 LEU 30 3HD1 LEU 30 3.461 -7.416 1.605 247 1HD2 LEU 30 1HD2 LEU 30 2.734 -4.513 1.627 248 2HD2 LEU 30 2HD2 LEU 30 1.408 -5.695 1.510 249 3HD2 LEU 30 3HD2 LEU 30 1.384 -4.453 2.785 250 H ALA 31 H ALA 31 -0.053 -8.789 5.365 251 HA ALA 31 HA ALA 31 -2.571 -7.777 4.817 252 1HB ALA 31 1HB ALA 31 -3.364 -9.924 5.622 253 2HB ALA 31 2HB ALA 31 -1.823 -10.178 4.768 254 3HB ALA 31 3HB ALA 31 -1.865 -10.180 6.547 255 H PHE 32 H PHE 32 -0.561 -7.411 7.622 256 HA PHE 32 HA PHE 32 -2.540 -7.245 9.592 257 1HB PHE 32 1HB PHE 32 0.236 -7.130 9.365 258 2HB PHE 32 2HB PHE 32 -0.126 -5.443 9.671 259 HD1 PHE 32 1HD PHE 32 -2.585 -6.045 11.468 260 HD2 PHE 32 2HD PHE 32 1.399 -7.504 11.420 261 HE1 PHE 32 1HE PHE 32 -2.731 -6.522 13.928 262 HE2 PHE 32 2HE PHE 32 1.254 -7.982 13.880 263 HZ PHE 32 HZ PHE 32 -0.809 -7.485 15.105 264 H TRP 33 H TRP 33 -1.708 -5.137 6.940 265 HA TRP 33 HA TRP 33 -3.544 -3.142 8.040 266 1HB TRP 33 1HB TRP 33 -2.116 -1.327 7.264 267 2HB TRP 33 2HB TRP 33 -1.356 -2.271 8.530 268 HD1 TRP 33 HD TRP 33 0.721 -3.938 7.697 269 HE1 TRP 33 1HE TRP 33 2.458 -3.779 5.717 270 HE3 TRP 33 3HE TRP 33 -1.913 -0.555 4.963 271 HZ2 TRP 33 2HZ TRP 33 2.533 -2.289 3.284 272 HZ3 TRP 33 3HZ TRP 33 -0.937 0.200 2.797 273 HH2 TRP 33 HH TRP 33 1.207 -0.611 1.948 274 H PHE 34 H PHE 34 -1.597 -4.324 5.211 275 HA PHE 34 HA PHE 34 -3.296 -3.139 3.300 276 1HB PHE 34 1HB PHE 34 -0.995 -3.758 2.755 277 2HB PHE 34 2HB PHE 34 -1.205 -5.376 3.394 278 HD1 PHE 34 1HD PHE 34 -0.836 -6.845 1.647 279 HD2 PHE 34 2HD PHE 34 -3.269 -3.437 0.963 280 HE1 PHE 34 1HE PHE 34 -1.365 -7.686 -0.658 281 HE2 PHE 34 2HE PHE 34 -3.798 -4.277 -1.342 282 HZ PHE 34 HZ PHE 34 -2.840 -6.392 -2.125 283 H MET 35 H MET 35 -2.664 -6.662 3.234 284 HA MET 35 HA MET 35 -5.227 -7.431 3.999 285 1HB MET 35 1HB MET 35 -4.789 -6.678 1.139 286 2HB MET 35 2HB MET 35 -5.513 -8.260 1.347 287 1HG MET 35 1HG MET 35 -7.520 -7.358 1.936 288 2HG MET 35 2HG MET 35 -6.779 -6.329 3.146 289 1HE MET 35 1HE MET 35 -6.552 -7.035 -0.464 290 2HE MET 35 2HE MET 35 -7.178 -5.597 -1.305 291 3HE MET 35 3HE MET 35 -5.474 -5.658 -0.793 292 H GLU 36 H GLU 36 -5.619 -9.830 3.479 293 HA GLU 36 HA GLU 36 -3.378 -11.259 4.133 294 1HB GLU 36 1HB GLU 36 -6.041 -12.066 2.915 295 2HB GLU 36 2HB GLU 36 -4.821 -13.263 3.299 296 1HG GLU 36 1HG GLU 36 -5.140 -11.432 5.547 297 2HG GLU 36 2HG GLU 36 -6.704 -12.071 5.080 298 H ASN 37 H ASN 37 -1.757 -12.318 2.990 299 HA ASN 37 HA ASN 37 -2.085 -12.752 0.197 300 1HB ASN 37 1HB ASN 37 -0.108 -11.410 -0.494 301 2HB ASN 37 2HB ASN 37 -1.328 -10.371 0.215 302 1HD2 ASN 37 1HD2 ASN 37 -1.144 -10.258 2.716 303 2HD2 ASN 37 2HD2 ASN 37 0.432 -9.909 3.343 304 H ASP 38 H ASP 38 0.549 -13.316 -0.533 305 HA ASP 38 HA ASP 38 1.580 -14.927 1.656 306 1HB ASP 38 1HB ASP 38 0.242 -16.322 0.013 307 2HB ASP 38 2HB ASP 38 1.346 -15.826 -1.255 308 H LEU 39 H LEU 39 2.368 -12.276 0.581 309 HA LEU 39 HA LEU 39 4.414 -12.457 -1.301 310 1HB LEU 39 1HB LEU 39 3.146 -10.426 -0.474 311 2HB LEU 39 2HB LEU 39 4.198 -10.437 0.927 312 HG LEU 39 HG LEU 39 5.897 -10.560 -1.339 313 1HD1 LEU 39 1HD1 LEU 39 4.140 -8.155 -1.673 314 2HD1 LEU 39 2HD1 LEU 39 5.246 -8.933 -2.830 315 3HD1 LEU 39 3HD1 LEU 39 3.684 -9.694 -2.442 316 1HD2 LEU 39 1HD2 LEU 39 5.290 -8.140 0.372 317 2HD2 LEU 39 2HD2 LEU 39 6.279 -9.516 0.917 318 3HD2 LEU 39 3HD2 LEU 39 6.805 -8.538 -0.474 319 H LYS 40 H LYS 40 6.764 -12.271 -0.981 320 HA LYS 40 HA LYS 40 7.732 -13.101 1.618 321 1HB LYS 40 1HB LYS 40 7.670 -14.887 -0.777 322 2HB LYS 40 2HB LYS 40 9.113 -14.911 0.218 323 1HG LYS 40 1HG LYS 40 7.050 -14.948 2.114 324 2HG LYS 40 2HG LYS 40 6.403 -15.932 0.816 325 1HD LYS 40 1HD LYS 40 7.618 -17.434 2.255 326 2HD LYS 40 2HD LYS 40 8.598 -17.238 0.815 327 1HE LYS 40 1HE LYS 40 10.089 -15.675 1.931 328 2HE LYS 40 2HE LYS 40 9.013 -15.528 3.306 329 1HZ LYS 40 1HZ LYS 40 10.041 -18.156 2.595 330 2HZ LYS 40 2HZ LYS 40 11.007 -17.117 3.403 331 3HZ LYS 40 3HZ LYS 40 9.586 -17.588 4.057 332 H ALA 41 H ALA 41 7.775 -10.734 -0.293 333 HA ALA 41 HA ALA 41 9.232 -9.343 -1.252 334 1HB ALA 41 1HB ALA 41 10.058 -10.036 1.425 335 2HB ALA 41 2HB ALA 41 11.496 -9.675 0.441 336 3HB ALA 41 3HB ALA 41 10.191 -8.474 0.583 337 H GLU 42 H GLU 42 9.271 -11.040 -3.088 338 HA GLU 42 HA GLU 42 12.027 -11.442 -3.705 339 1HB GLU 42 1HB GLU 42 10.810 -13.571 -2.461 340 2HB GLU 42 2HB GLU 42 10.463 -13.940 -4.139 341 1HG GLU 42 1HG GLU 42 12.727 -14.170 -4.711 342 2HG GLU 42 2HG GLU 42 13.271 -13.090 -3.443 343 H THR 43 H THR 43 12.089 -10.461 -5.682 344 HA THR 43 HA THR 43 9.945 -9.923 -7.293 345 HB THR 43 HB THR 43 12.577 -9.287 -7.275 346 HG1 THR 43 1HG THR 43 10.726 -8.332 -8.486 347 1HG2 THR 43 1HG2 THR 43 13.761 -10.219 -9.146 348 2HG2 THR 43 2HG2 THR 43 13.100 -11.636 -8.295 349 3HG2 THR 43 3HG2 THR 43 12.300 -11.028 -9.764 350 H GLY 44 H GLY 44 8.805 -10.882 -8.927 351 1HA GLY 44 1HA GLY 44 8.072 -12.516 -10.298 352 2HA GLY 44 2HA GLY 44 9.630 -13.307 -10.160 353 H HIS 45 H HIS 45 7.713 -12.463 -7.275 354 HA HIS 45 HA HIS 45 7.350 -15.331 -6.838 355 1HB HIS 45 1HB HIS 45 8.737 -14.225 -5.179 356 2HB HIS 45 2HB HIS 45 7.502 -13.016 -4.890 357 HD1 HIS 45 1HD HIS 45 7.312 -16.858 -4.954 358 HD2 HIS 45 2HD HIS 45 6.400 -13.602 -2.471 359 HE1 HIS 45 1HE HIS 45 6.211 -17.834 -2.870 360 H HIS 46 H HIS 46 5.429 -15.565 -8.099 361 HA HIS 46 HA HIS 46 3.254 -13.844 -7.882 362 1HB HIS 46 1HB HIS 46 2.005 -15.942 -8.754 363 2HB HIS 46 2HB HIS 46 3.214 -15.172 -9.762 364 HD1 HIS 46 1HD HIS 46 5.538 -16.426 -10.035 365 HD2 HIS 46 2HD HIS 46 2.587 -18.564 -7.957 366 HE1 HIS 46 1HE HIS 46 6.341 -18.846 -9.941 367 H PHE 47 H PHE 47 2.292 -13.337 -5.970 368 HA PHE 47 HA PHE 47 1.799 -15.565 -4.126 369 1HB PHE 47 1HB PHE 47 1.887 -13.833 -2.394 370 2HB PHE 47 2HB PHE 47 3.253 -13.536 -3.451 371 HD1 PHE 47 1HD PHE 47 3.294 -11.598 -4.919 372 HD2 PHE 47 2HD PHE 47 -0.021 -12.321 -2.370 373 HE1 PHE 47 1HE PHE 47 2.499 -9.246 -5.286 374 HE2 PHE 47 2HE PHE 47 -0.816 -9.969 -2.737 375 HZ PHE 47 HZ PHE 47 0.453 -8.459 -4.191 376 H HIS 48 H HIS 48 -0.289 -15.912 -3.304 377 HA HIS 48 HA HIS 48 -2.375 -14.804 -4.922 378 1HB HIS 48 1HB HIS 48 -2.127 -16.971 -2.877 379 2HB HIS 48 2HB HIS 48 -3.718 -16.296 -3.168 380 HD1 HIS 48 1HD HIS 48 -1.085 -18.458 -4.718 381 HD2 HIS 48 2HD HIS 48 -4.788 -16.795 -5.775 382 HE1 HIS 48 1HE HIS 48 -1.829 -19.661 -6.842 383 H LEU 49 H LEU 49 -4.214 -13.599 -4.129 384 HA LEU 49 HA LEU 49 -3.680 -12.272 -1.563 385 1HB LEU 49 1HB LEU 49 -3.109 -10.865 -3.528 386 2HB LEU 49 2HB LEU 49 -4.771 -10.986 -4.069 387 HG LEU 49 HG LEU 49 -5.359 -9.997 -1.725 388 1HD1 LEU 49 1HD1 LEU 49 -3.766 -8.992 -0.466 389 2HD1 LEU 49 2HD1 LEU 49 -2.744 -10.250 -1.202 390 3HD1 LEU 49 3HD1 LEU 49 -2.740 -8.598 -1.866 391 1HD2 LEU 49 1HD2 LEU 49 -4.052 -7.930 -3.414 392 2HD2 LEU 49 2HD2 LEU 49 -5.278 -8.959 -4.194 393 3HD2 LEU 49 3HD2 LEU 49 -5.702 -8.006 -2.751 394 H GLN 50 H GLN 50 -5.335 -12.338 -0.118 395 HA GLN 50 HA GLN 50 -7.841 -13.389 -1.167 396 1HB GLN 50 1HB GLN 50 -6.675 -13.510 1.649 397 2HB GLN 50 2HB GLN 50 -8.256 -14.125 1.208 398 1HG GLN 50 1HG GLN 50 -6.520 -15.255 -0.713 399 2HG GLN 50 2HG GLN 50 -5.607 -15.327 0.781 400 1HE2 GLN 50 1HE2 GLN 50 -8.166 -16.601 -1.062 401 2HE2 GLN 50 2HE2 GLN 50 -8.771 -17.775 0.057 402 H SER 51 H SER 51 -8.532 -11.222 -1.853 403 HA SER 51 HA SER 51 -8.799 -9.265 0.219 404 1HB SER 51 1HB SER 51 -8.932 -7.785 -1.499 405 2HB SER 51 2HB SER 51 -8.459 -9.127 -2.522 406 HG SER 51 HG SER 51 -10.688 -9.569 -2.954 407 HA PRO 52 HA PRO 52 -13.036 -9.923 1.012 408 1HB PRO 52 1HB PRO 52 -14.224 -7.463 0.970 409 2HB PRO 52 2HB PRO 52 -13.260 -8.038 2.315 410 1HG PRO 52 1HG PRO 52 -12.549 -6.058 0.239 411 2HG PRO 52 2HG PRO 52 -11.798 -6.331 1.799 412 1HD PRO 52 1HD PRO 52 -10.793 -7.157 -0.758 413 2HD PRO 52 2HD PRO 52 -10.104 -7.530 0.810 414 H PHE 53 H PHE 53 -12.248 -8.605 -1.996 415 HA PHE 53 HA PHE 53 -14.940 -9.250 -2.960 416 1HB PHE 53 1HB PHE 53 -12.607 -7.487 -3.866 417 2HB PHE 53 2HB PHE 53 -13.845 -7.946 -5.019 418 HD1 PHE 53 1HD PHE 53 -16.144 -7.116 -4.769 419 HD2 PHE 53 2HD PHE 53 -13.062 -5.883 -2.126 420 HE1 PHE 53 1HE PHE 53 -17.573 -5.203 -3.996 421 HE2 PHE 53 2HE PHE 53 -14.490 -3.969 -1.353 422 HZ PHE 53 HZ PHE 53 -16.728 -3.652 -2.297 423 H GLY 54 H GLY 54 -13.695 -11.551 -2.465 424 1HA GLY 54 1HA GLY 54 -13.248 -13.494 -3.541 425 2HA GLY 54 2HA GLY 54 -13.254 -12.651 -5.077 426 HA PRO 55 HA PRO 55 -8.910 -13.425 -3.496 427 1HB PRO 55 1HB PRO 55 -8.342 -15.973 -4.305 428 2HB PRO 55 2HB PRO 55 -8.812 -15.570 -2.666 429 1HG PRO 55 1HG PRO 55 -10.411 -16.869 -4.785 430 2HG PRO 55 2HG PRO 55 -10.696 -16.841 -3.056 431 1HD PRO 55 1HD PRO 55 -12.062 -15.290 -5.046 432 2HD PRO 55 2HD PRO 55 -12.265 -15.179 -3.309 433 H SER 56 H SER 56 -7.150 -12.811 -4.674 434 HA SER 56 HA SER 56 -7.370 -13.409 -7.498 435 1HB SER 56 1HB SER 56 -7.701 -10.754 -6.278 436 2HB SER 56 2HB SER 56 -6.394 -10.771 -7.445 437 HG SER 56 HG SER 56 -7.970 -10.553 -8.884 438 HA PRO 57 HA PRO 57 -3.101 -14.017 -6.856 439 1HB PRO 57 1HB PRO 57 -2.259 -14.272 -9.444 440 2HB PRO 57 2HB PRO 57 -2.999 -15.581 -8.544 441 1HG PRO 57 1HG PRO 57 -4.171 -13.906 -10.680 442 2HG PRO 57 2HG PRO 57 -4.719 -15.458 -10.076 443 1HD PRO 57 1HD PRO 57 -5.856 -12.890 -9.493 444 2HD PRO 57 2HD PRO 57 -6.330 -14.428 -8.799 445 H CYS 58 H CYS 58 -0.874 -13.197 -7.318 446 HA CYS 58 HA CYS 58 -0.907 -10.563 -8.477 447 1HB CYS 58 1HB CYS 58 -0.551 -11.002 -5.518 448 2HB CYS 58 2HB CYS 58 0.308 -9.702 -6.320 449 HG CYS 58 HG CYS 58 -2.161 -9.166 -7.692 450 H GLN 59 H GLN 59 1.486 -9.692 -8.407 451 HA GLN 59 HA GLN 59 3.423 -11.771 -8.039 452 1HB GLN 59 1HB GLN 59 2.782 -12.312 -10.299 453 2HB GLN 59 2HB GLN 59 2.770 -10.627 -10.780 454 1HG GLN 59 1HG GLN 59 5.031 -10.581 -11.128 455 2HG GLN 59 2HG GLN 59 5.372 -11.462 -9.652 456 1HE2 GLN 59 1HE2 GLN 59 4.746 -11.634 -13.048 457 2HE2 GLN 59 2HE2 GLN 59 5.098 -13.312 -13.297 458 H VAL 60 H VAL 60 5.408 -10.908 -7.431 459 HA VAL 60 HA VAL 60 5.472 -8.051 -7.095 460 HB VAL 60 HB VAL 60 7.507 -10.177 -6.397 461 1HG1 VAL 60 1HG1 VAL 60 8.216 -8.460 -4.689 462 2HG1 VAL 60 2HG1 VAL 60 8.549 -8.022 -6.381 463 3HG1 VAL 60 3HG1 VAL 60 7.169 -7.291 -5.527 464 1HG2 VAL 60 1HG2 VAL 60 5.123 -9.103 -4.873 465 2HG2 VAL 60 2HG2 VAL 60 5.538 -10.794 -5.242 466 3HG2 VAL 60 3HG2 VAL 60 6.506 -9.877 -4.062 467 H THR 61 H THR 61 6.525 -6.593 -8.368 468 HA THR 61 HA THR 61 7.919 -7.677 -10.693 469 HB THR 61 HB THR 61 7.488 -5.476 -11.640 470 HG1 THR 61 1HG THR 61 6.609 -3.852 -10.051 471 1HG2 THR 61 1HG2 THR 61 5.388 -7.041 -10.928 472 2HG2 THR 61 2HG2 THR 61 5.054 -5.648 -9.871 473 3HG2 THR 61 3HG2 THR 61 5.152 -5.424 -11.634 474 H ASP 62 H ASP 62 8.456 -5.632 -7.798 475 HA ASP 62 HA ASP 62 11.264 -6.131 -8.162 476 1HB ASP 62 1HB ASP 62 10.034 -3.584 -8.768 477 2HB ASP 62 2HB ASP 62 11.003 -3.383 -7.322 478 H VAL 63 H VAL 63 12.233 -6.424 -6.107 479 HA VAL 63 HA VAL 63 11.113 -5.171 -3.787 480 HB VAL 63 HB VAL 63 9.558 -7.020 -4.080 481 1HG1 VAL 63 1HG1 VAL 63 11.661 -8.427 -5.121 482 2HG1 VAL 63 2HG1 VAL 63 11.518 -9.151 -3.501 483 3HG1 VAL 63 3HG1 VAL 63 10.117 -9.143 -4.599 484 1HG2 VAL 63 1HG2 VAL 63 10.860 -6.329 -1.775 485 2HG2 VAL 63 2HG2 VAL 63 9.461 -7.426 -1.864 486 3HG2 VAL 63 3HG2 VAL 63 11.111 -8.091 -1.810 487 H GLU 64 H GLU 64 13.017 -4.364 -3.041 488 HA GLU 64 HA GLU 64 14.997 -6.270 -2.276 489 1HB GLU 64 1HB GLU 64 15.641 -5.780 -4.635 490 2HB GLU 64 2HB GLU 64 15.715 -4.069 -4.264 491 1HG GLU 64 1HG GLU 64 17.859 -4.327 -3.579 492 2HG GLU 64 2HG GLU 64 17.305 -5.360 -2.276 493 H ARG 65 H ARG 65 15.090 -5.679 -0.141 494 HA ARG 65 HA ARG 65 15.285 -4.478 1.645 495 1HB ARG 65 1HB ARG 65 17.087 -3.155 -0.308 496 2HB ARG 65 2HB ARG 65 16.620 -2.101 1.012 497 1HG ARG 65 1HG ARG 65 17.181 -4.441 2.378 498 2HG ARG 65 2HG ARG 65 18.323 -4.545 1.052 499 1HD ARG 65 1HD ARG 65 18.156 -1.854 2.333 500 2HD ARG 65 2HD ARG 65 18.762 -3.123 3.379 501 HE ARG 65 HE ARG 65 20.113 -3.429 0.916 502 1HH1 ARG 65 2HH2 ARG 65 19.845 -0.994 3.443 503 2HH1 ARG 65 1HH2 ARG 65 21.431 -0.353 3.170 504 1HH2 ARG 65 2HH1 ARG 65 22.205 -2.583 0.556 505 2HH2 ARG 65 1HH1 ARG 65 22.782 -1.263 1.517 506 HA PRO 66 HA PRO 66 12.302 -1.295 1.773 507 1HB PRO 66 1HB PRO 66 13.030 0.275 3.887 508 2HB PRO 66 2HB PRO 66 12.224 -1.269 4.074 509 1HG PRO 66 1HG PRO 66 15.064 -0.593 4.539 510 2HG PRO 66 2HG PRO 66 14.158 -1.980 5.111 511 1HD PRO 66 1HD PRO 66 16.046 -1.934 2.951 512 2HD PRO 66 2HD PRO 66 15.054 -3.291 3.448 513 H ILE 67 H ILE 67 13.564 -0.776 -0.402 514 HA ILE 67 HA ILE 67 13.943 2.121 -0.210 515 HB ILE 67 HB ILE 67 15.732 1.790 -2.008 516 1HG1 ILE 67 1HG1 ILE 67 16.986 -0.470 -1.440 517 2HG1 ILE 67 2HG1 ILE 67 15.373 -1.023 -1.035 518 1HG2 ILE 67 1HG2 ILE 67 16.491 0.832 0.754 519 2HG2 ILE 67 2HG2 ILE 67 17.448 1.803 -0.391 520 3HG2 ILE 67 3HG2 ILE 67 16.026 2.516 0.409 521 1HD1 ILE 67 1HD1 ILE 67 14.838 -1.235 -3.224 522 2HD1 ILE 67 2HD1 ILE 67 15.280 0.461 -3.535 523 3HD1 ILE 67 3HD1 ILE 67 16.520 -0.813 -3.626 524 H LYS 68 H LYS 68 13.248 -0.793 -2.212 525 HA LYS 68 HA LYS 68 11.314 0.815 -3.668 526 1HB LYS 68 1HB LYS 68 13.217 1.067 -5.087 527 2HB LYS 68 2HB LYS 68 13.638 -0.628 -4.959 528 1HG LYS 68 1HG LYS 68 12.152 -1.241 -6.582 529 2HG LYS 68 2HG LYS 68 10.871 -0.252 -5.908 530 1HD LYS 68 1HD LYS 68 11.313 1.506 -7.311 531 2HD LYS 68 2HD LYS 68 13.048 1.349 -7.123 532 1HE LYS 68 1HE LYS 68 12.397 -0.957 -8.558 533 2HE LYS 68 2HE LYS 68 11.273 0.219 -9.211 534 1HZ LYS 68 1HZ LYS 68 13.904 -0.018 -9.836 535 2HZ LYS 68 2HZ LYS 68 12.921 1.216 -10.255 536 3HZ LYS 68 3HZ LYS 68 13.847 1.329 -8.915 537 H LEU 69 H LEU 69 9.413 -0.246 -3.605 538 HA LEU 69 HA LEU 69 9.473 -3.147 -3.833 539 1HB LEU 69 1HB LEU 69 9.539 -2.587 -1.418 540 2HB LEU 69 2HB LEU 69 8.033 -1.710 -1.600 541 HG LEU 69 HG LEU 69 7.046 -3.929 -2.466 542 1HD1 LEU 69 1HD1 LEU 69 9.379 -4.947 -2.711 543 2HD1 LEU 69 2HD1 LEU 69 9.336 -5.170 -0.946 544 3HD1 LEU 69 3HD1 LEU 69 8.113 -5.957 -1.972 545 1HD2 LEU 69 1HD2 LEU 69 7.272 -2.789 0.086 546 2HD2 LEU 69 2HD2 LEU 69 6.070 -3.977 -0.473 547 3HD2 LEU 69 3HD2 LEU 69 7.569 -4.530 0.311 548 H SER 70 H SER 70 8.007 -3.801 -5.318 549 HA SER 70 HA SER 70 5.647 -2.153 -5.640 550 1HB SER 70 1HB SER 70 7.532 -1.570 -7.343 551 2HB SER 70 2HB SER 70 7.192 -3.129 -8.067 552 HG SER 70 HG SER 70 5.966 -0.936 -8.687 553 H PHE 71 H PHE 71 3.835 -3.337 -6.651 554 HA PHE 71 HA PHE 71 4.229 -6.119 -7.239 555 1HB PHE 71 1HB PHE 71 2.940 -6.937 -5.367 556 2HB PHE 71 2HB PHE 71 4.003 -5.746 -4.645 557 HD1 PHE 71 1HD PHE 71 0.560 -6.254 -5.917 558 HD2 PHE 71 2HD PHE 71 3.126 -3.873 -3.518 559 HE1 PHE 71 1HE PHE 71 -1.432 -5.037 -4.994 560 HE2 PHE 71 2HE PHE 71 1.134 -2.656 -2.596 561 HZ PHE 71 HZ PHE 71 -1.121 -3.252 -3.345 562 H THR 72 H THR 72 2.508 -6.989 -8.466 563 HA THR 72 HA THR 72 0.676 -4.973 -9.481 564 HB THR 72 HB THR 72 0.279 -6.738 -11.220 565 HG1 THR 72 1HG THR 72 0.709 -8.759 -10.429 566 1HG2 THR 72 1HG2 THR 72 2.436 -5.270 -11.276 567 2HG2 THR 72 2HG2 THR 72 3.270 -6.698 -10.617 568 3HG2 THR 72 3HG2 THR 72 2.472 -6.786 -12.206 569 H TRP 73 H TRP 73 -1.580 -5.108 -9.467 570 HA TRP 73 HA TRP 73 -2.579 -6.853 -7.331 571 1HB TRP 73 1HB TRP 73 -2.784 -4.357 -7.109 572 2HB TRP 73 2HB TRP 73 -3.869 -4.378 -8.485 573 HD1 TRP 73 HD TRP 73 -5.731 -6.847 -7.751 574 HE1 TRP 73 1HE TRP 73 -7.420 -6.819 -5.724 575 HE3 TRP 73 3HE TRP 73 -3.378 -3.157 -5.162 576 HZ2 TRP 73 2HZ TRP 73 -7.579 -5.291 -3.319 577 HZ3 TRP 73 3HZ TRP 73 -4.366 -2.457 -2.983 578 HH2 TRP 73 HH TRP 73 -6.392 -3.460 -2.055 579 H ASP 74 H ASP 74 -3.986 -8.494 -7.864 580 HA ASP 74 HA ASP 74 -5.162 -9.859 -9.068 581 1HB ASP 74 1HB ASP 74 -6.727 -7.888 -9.148 582 2HB ASP 74 2HB ASP 74 -5.978 -7.372 -10.646 583 H THR 75 H THR 75 -5.575 -10.659 -11.510 584 HA THR 75 HA THR 75 -3.211 -11.201 -12.725 585 HB THR 75 HB THR 75 -4.713 -11.634 -14.758 586 HG1 THR 75 1HG THR 75 -6.486 -10.310 -14.666 587 1HG2 THR 75 1HG2 THR 75 -5.035 -12.725 -12.045 588 2HG2 THR 75 2HG2 THR 75 -6.572 -12.753 -12.942 589 3HG2 THR 75 3HG2 THR 75 -5.137 -13.568 -13.609 590 H ASP 76 H ASP 76 -5.280 -8.309 -13.242 591 HA ASP 76 HA ASP 76 -3.076 -6.792 -13.965 592 1HB ASP 76 1HB ASP 76 -3.333 -8.177 -16.081 593 2HB ASP 76 2HB ASP 76 -4.935 -7.497 -16.284 594 H GLY 77 H GLY 77 -3.818 -4.880 -13.031 595 1HA GLY 77 1HA GLY 77 -6.332 -3.744 -13.915 596 2HA GLY 77 2HA GLY 77 -6.297 -4.226 -12.230 597 H TRP 78 H TRP 78 -4.822 -3.186 -10.735 598 HA TRP 78 HA TRP 78 -3.756 -0.660 -11.803 599 1HB TRP 78 1HB TRP 78 -4.781 -1.204 -9.012 600 2HB TRP 78 2HB TRP 78 -4.173 0.320 -9.626 601 HD1 TRP 78 HD TRP 78 -5.866 0.146 -12.476 602 HE1 TRP 78 1HE TRP 78 -8.450 0.679 -12.516 603 HE3 TRP 78 3HE TRP 78 -6.643 -0.657 -7.515 604 HZ2 TRP 78 2HZ TRP 78 -10.483 0.705 -10.514 605 HZ3 TRP 78 3HZ TRP 78 -8.957 -0.356 -6.638 606 HH2 TRP 78 HH TRP 78 -10.841 0.301 -8.050 607 H SER 79 H SER 79 -1.807 0.135 -10.489 608 HA SER 79 HA SER 79 -0.357 -2.102 -9.339 609 1HB SER 79 1HB SER 79 1.615 -0.613 -10.668 610 2HB SER 79 2HB SER 79 1.016 -2.193 -11.132 611 HG SER 79 HG SER 79 0.094 -1.318 -12.847 612 H VAL 80 H VAL 80 0.802 -1.531 -7.487 613 HA VAL 80 HA VAL 80 1.052 1.348 -6.966 614 HB VAL 80 HB VAL 80 -0.846 0.330 -5.746 615 1HG1 VAL 80 1HG1 VAL 80 -0.696 -1.663 -4.759 616 2HG1 VAL 80 2HG1 VAL 80 0.990 -1.791 -5.317 617 3HG1 VAL 80 3HG1 VAL 80 0.631 -1.084 -3.723 618 1HG2 VAL 80 1HG2 VAL 80 -0.161 2.173 -4.586 619 2HG2 VAL 80 2HG2 VAL 80 0.221 0.935 -3.365 620 3HG2 VAL 80 3HG2 VAL 80 1.509 1.582 -4.409 621 H THR 81 H THR 81 2.955 1.994 -5.862 622 HA THR 81 HA THR 81 4.901 -0.149 -5.367 623 HB THR 81 HB THR 81 5.435 2.452 -6.896 624 HG1 THR 81 1HG THR 81 4.702 1.182 -8.550 625 1HG2 THR 81 1HG2 THR 81 7.094 0.002 -6.160 626 2HG2 THR 81 2HG2 THR 81 7.478 0.973 -7.601 627 3HG2 THR 81 3HG2 THR 81 7.530 1.718 -5.985 628 H PHE 82 H PHE 82 6.135 0.080 -3.558 629 HA PHE 82 HA PHE 82 5.514 2.463 -1.973 630 1HB PHE 82 1HB PHE 82 6.670 -0.294 -1.237 631 2HB PHE 82 2HB PHE 82 6.197 0.935 -0.081 632 HD1 PHE 82 1HD PHE 82 5.173 -1.991 -1.681 633 HD2 PHE 82 2HD PHE 82 3.669 1.741 -0.333 634 HE1 PHE 82 1HE PHE 82 2.856 -2.952 -1.605 635 HE2 PHE 82 2HE PHE 82 1.352 0.780 -0.258 636 HZ PHE 82 HZ PHE 82 0.973 -1.555 -0.895 637 H HIS 83 H HIS 83 7.236 3.487 -0.731 638 HA HIS 83 HA HIS 83 9.926 2.748 -1.533 639 1HB HIS 83 1HB HIS 83 8.614 5.404 -2.096 640 2HB HIS 83 2HB HIS 83 10.350 5.279 -1.886 641 HD1 HIS 83 1HD HIS 83 11.721 4.427 -3.853 642 HD2 HIS 83 2HD HIS 83 7.592 3.917 -4.388 643 HE1 HIS 83 1HE HIS 83 11.399 3.689 -6.275 644 H LEU 84 H LEU 84 10.972 2.422 0.360 645 HA LEU 84 HA LEU 84 10.134 4.058 2.640 646 1HB LEU 84 1HB LEU 84 11.303 1.316 2.349 647 2HB LEU 84 2HB LEU 84 11.554 2.211 3.834 648 HG LEU 84 HG LEU 84 8.836 2.475 3.468 649 1HD1 LEU 84 1HD1 LEU 84 9.747 0.051 2.046 650 2HD1 LEU 84 2HD1 LEU 84 8.409 -0.191 3.195 651 3HD1 LEU 84 3HD1 LEU 84 8.248 0.996 1.879 652 1HD2 LEU 84 1HD2 LEU 84 9.636 2.041 5.607 653 2HD2 LEU 84 2HD2 LEU 84 8.750 0.553 5.195 654 3HD2 LEU 84 3HD2 LEU 84 10.527 0.588 5.092 655 H LYS 85 H LYS 85 11.828 4.914 4.080 656 HA LYS 85 HA LYS 85 14.524 4.913 3.247 657 1HB LYS 85 1HB LYS 85 14.652 7.351 2.661 658 2HB LYS 85 2HB LYS 85 13.882 6.337 1.457 659 1HG LYS 85 1HG LYS 85 11.670 7.007 2.871 660 2HG LYS 85 2HG LYS 85 12.655 8.399 3.272 661 1HD LYS 85 1HD LYS 85 12.834 7.780 0.409 662 2HD LYS 85 2HD LYS 85 11.166 8.003 0.898 663 1HE LYS 85 1HE LYS 85 12.144 10.137 2.177 664 2HE LYS 85 2HE LYS 85 13.458 9.973 1.029 665 1HZ LYS 85 1HZ LYS 85 11.871 11.346 0.046 666 2HZ LYS 85 2HZ LYS 85 11.691 9.911 -0.713 667 3HZ LYS 85 3HZ LYS 85 10.618 10.371 0.429 668 H GLU 86 H GLU 86 15.504 4.870 5.190 669 HA GLU 86 HA GLU 86 14.142 5.742 7.482 670 1HB GLU 86 1HB GLU 86 15.922 3.882 7.258 671 2HB GLU 86 2HB GLU 86 17.121 5.160 7.282 672 1HG GLU 86 1HG GLU 86 15.040 5.252 9.443 673 2HG GLU 86 2HG GLU 86 16.197 3.940 9.539 674 H GLU 87 H GLU 87 14.410 7.605 8.763 675 HA GLU 87 HA GLU 87 15.973 9.683 7.451 676 1HB GLU 87 1HB GLU 87 13.284 9.642 8.345 677 2HB GLU 87 2HB GLU 87 14.130 10.649 9.503 678 1HG GLU 87 1HG GLU 87 14.856 11.154 6.654 679 2HG GLU 87 2HG GLU 87 13.194 11.530 7.061 680 H GLU 88 H GLU 88 16.154 11.540 9.562 681 HA GLU 88 HA GLU 88 18.402 10.855 10.807 682 1HB GLU 88 1HB GLU 88 16.153 12.720 11.538 683 2HB GLU 88 2HB GLU 88 17.427 12.473 12.716 684 1HG GLU 88 1HG GLU 88 18.697 12.833 10.160 685 2HG GLU 88 2HG GLU 88 17.482 14.087 10.313 686 H ASN 89 H ASN 89 15.275 10.895 12.667 687 HA ASN 89 HA ASN 89 16.219 8.461 13.960 688 1HB ASN 89 1HB ASN 89 16.305 10.755 15.314 689 2HB ASN 89 2HB ASN 89 14.571 10.539 15.448 690 1HD2 ASN 89 1HD2 ASN 89 17.720 9.301 16.269 691 2HD2 ASN 89 2HD2 ASN 89 17.242 8.198 17.516 692 H GLY 90 H GLY 90 14.623 8.009 11.881 693 1HA GLY 90 1HA GLY 90 12.275 6.890 12.862 694 2HA GLY 90 2HA GLY 90 11.850 8.465 12.221 695 H THR 91 H THR 91 10.729 6.305 10.972 696 HA THR 91 HA THR 91 12.371 5.949 8.552 697 HB THR 91 HB THR 91 10.201 4.218 9.847 698 HG1 THR 91 1HG THR 91 13.083 4.150 9.326 699 1HG2 THR 91 1HG2 THR 91 11.937 3.252 7.589 700 2HG2 THR 91 2HG2 THR 91 10.273 2.783 8.014 701 3HG2 THR 91 3HG2 THR 91 10.574 4.308 7.147 702 H ILE 92 H ILE 92 11.487 6.317 6.514 703 HA ILE 92 HA ILE 92 8.965 7.820 6.617 704 HB ILE 92 HB ILE 92 11.296 8.103 4.716 705 1HG1 ILE 92 1HG1 ILE 92 11.935 8.954 6.861 706 2HG1 ILE 92 2HG1 ILE 92 11.589 10.315 5.812 707 1HG2 ILE 92 1HG2 ILE 92 9.824 9.028 3.331 708 2HG2 ILE 92 2HG2 ILE 92 8.525 8.952 4.545 709 3HG2 ILE 92 3HG2 ILE 92 9.641 10.339 4.522 710 1HD1 ILE 92 1HD1 ILE 92 9.122 10.032 6.859 711 2HD1 ILE 92 2HD1 ILE 92 10.055 9.305 8.189 712 3HD1 ILE 92 3HD1 ILE 92 10.387 10.978 7.679 713 H PHE 93 H PHE 93 7.264 7.130 5.384 714 HA PHE 93 HA PHE 93 7.846 4.890 3.575 715 1HB PHE 93 1HB PHE 93 6.583 4.429 5.784 716 2HB PHE 93 2HB PHE 93 5.328 5.519 5.229 717 HD1 PHE 93 1HD PHE 93 4.394 4.921 2.795 718 HD2 PHE 93 2HD PHE 93 6.271 2.174 5.429 719 HE1 PHE 93 1HE PHE 93 3.259 3.017 1.617 720 HE2 PHE 93 2HE PHE 93 5.137 0.270 4.251 721 HZ PHE 93 HZ PHE 93 3.644 0.714 2.360 722 H THR 94 H THR 94 7.138 5.087 1.483 723 HA THR 94 HA THR 94 5.200 7.235 0.941 724 HB THR 94 HB THR 94 7.817 6.564 -0.501 725 HG1 THR 94 1HG THR 94 8.302 8.108 1.027 726 1HG2 THR 94 1HG2 THR 94 7.265 8.396 -2.032 727 2HG2 THR 94 2HG2 THR 94 5.930 7.220 -2.096 728 3HG2 THR 94 3HG2 THR 94 5.748 8.723 -1.159 729 H ILE 95 H ILE 95 3.577 6.786 -0.489 730 HA ILE 95 HA ILE 95 3.678 4.093 -1.660 731 HB ILE 95 HB ILE 95 2.149 3.915 0.086 732 1HG1 ILE 95 1HG1 ILE 95 1.375 3.367 -2.377 733 2HG1 ILE 95 2HG1 ILE 95 0.289 3.182 -1.015 734 1HG2 ILE 95 1HG2 ILE 95 1.954 6.219 0.751 735 2HG2 ILE 95 2HG2 ILE 95 1.050 6.617 -0.730 736 3HG2 ILE 95 3HG2 ILE 95 0.323 5.551 0.496 737 1HD1 ILE 95 1HD1 ILE 95 -0.854 5.229 -1.488 738 2HD1 ILE 95 2HD1 ILE 95 0.440 5.789 -2.575 739 3HD1 ILE 95 3HD1 ILE 95 -0.624 4.451 -3.073 740 H VAL 96 H VAL 96 2.890 3.861 -3.787 741 HA VAL 96 HA VAL 96 2.033 6.331 -5.092 742 HB VAL 96 HB VAL 96 4.230 4.509 -6.096 743 1HG1 VAL 96 1HG1 VAL 96 2.518 5.860 -7.666 744 2HG1 VAL 96 2HG1 VAL 96 3.684 7.163 -7.335 745 3HG1 VAL 96 3HG1 VAL 96 4.236 5.641 -8.073 746 1HG2 VAL 96 1HG2 VAL 96 5.673 6.543 -5.810 747 2HG2 VAL 96 2HG2 VAL 96 4.331 7.307 -4.925 748 3HG2 VAL 96 3HG2 VAL 96 5.095 5.833 -4.284 749 H HIS 97 H HIS 97 0.148 5.955 -6.129 750 HA HIS 97 HA HIS 97 -0.261 3.237 -7.139 751 1HB HIS 97 1HB HIS 97 -1.540 3.831 -5.007 752 2HB HIS 97 2HB HIS 97 -2.453 4.966 -5.980 753 HD1 HIS 97 1HD HIS 97 -4.693 3.726 -5.838 754 HD2 HIS 97 2HD HIS 97 -1.572 1.363 -7.347 755 HE1 HIS 97 1HE HIS 97 -5.777 1.599 -6.738 756 H SER 98 H SER 98 -0.796 3.121 -9.278 757 HA SER 98 HA SER 98 -1.984 5.463 -10.475 758 1HB SER 98 1HB SER 98 0.521 4.158 -11.627 759 2HB SER 98 2HB SER 98 -0.359 5.499 -12.332 760 HG SER 98 HG SER 98 1.100 5.481 -9.833 761 H GLY 99 H GLY 99 -2.605 4.899 -12.886 762 1HA GLY 99 1HA GLY 99 -2.993 3.099 -14.440 763 2HA GLY 99 2HA GLY 99 -3.247 2.020 -13.083 764 H TRP 100 H TRP 100 -4.461 5.403 -13.474 765 HA TRP 100 HA TRP 100 -7.171 4.315 -13.201 766 1HB TRP 100 1HB TRP 100 -6.084 7.077 -12.624 767 2HB TRP 100 2HB TRP 100 -7.767 6.609 -12.489 768 HD1 TRP 100 HD TRP 100 -4.443 6.294 -10.629 769 HE1 TRP 100 1HE TRP 100 -4.764 5.261 -8.222 770 HE3 TRP 100 3HE TRP 100 -9.310 4.970 -11.273 771 HZ2 TRP 100 2HZ TRP 100 -6.968 4.034 -6.887 772 HZ3 TRP 100 3HZ TRP 100 -10.473 3.859 -9.369 773 HH2 TRP 100 HH TRP 100 -9.381 3.388 -7.233 774 H LYS 101 H LYS 101 -8.753 6.186 -14.311 775 HA LYS 101 HA LYS 101 -7.689 6.513 -17.031 776 1HB LYS 101 1HB LYS 101 -10.579 5.953 -16.328 777 2HB LYS 101 2HB LYS 101 -9.850 5.986 -17.921 778 1HG LYS 101 1HG LYS 101 -8.370 4.051 -17.243 779 2HG LYS 101 2HG LYS 101 -9.196 3.993 -15.699 780 1HD LYS 101 1HD LYS 101 -10.513 2.456 -16.807 781 2HD LYS 101 2HD LYS 101 -11.376 3.899 -17.301 782 1HE LYS 101 1HE LYS 101 -10.205 3.973 -19.436 783 2HE LYS 101 2HE LYS 101 -9.072 2.736 -18.928 784 1HZ LYS 101 1HZ LYS 101 -10.766 1.139 -18.952 785 2HZ LYS 101 2HZ LYS 101 -11.959 2.246 -19.087 786 3HZ LYS 101 3HZ LYS 101 -10.949 1.978 -20.342 787 H GLN 102 H GLN 102 -10.153 7.957 -17.837 788 HA GLN 102 HA GLN 102 -9.300 10.500 -16.886 789 1HB GLN 102 1HB GLN 102 -11.147 9.467 -19.009 790 2HB GLN 102 2HB GLN 102 -11.466 11.085 -18.416 791 1HG GLN 102 1HG GLN 102 -8.646 10.966 -18.771 792 2HG GLN 102 2HG GLN 102 -9.318 10.156 -20.172 793 1HE2 GLN 102 1HE2 GLN 102 -10.556 12.814 -18.159 794 2HE2 GLN 102 2HE2 GLN 102 -10.705 13.996 -19.417 795 H GLY 103 H GLY 103 -10.852 12.156 -16.008 796 1HA GLY 103 1HA GLY 103 -12.472 10.952 -13.924 797 2HA GLY 103 2HA GLY 103 -12.054 12.643 -14.120 798 H ASP 104 H ASP 104 -13.663 10.235 -16.323 799 HA ASP 104 HA ASP 104 -16.021 11.914 -16.218 800 1HB ASP 104 1HB ASP 104 -14.250 11.448 -18.549 801 2HB ASP 104 2HB ASP 104 -15.930 11.077 -18.884 802 H THR 105 H THR 105 -14.411 8.929 -17.532 803 HA THR 105 HA THR 105 -16.816 7.484 -17.895 804 HB THR 105 HB THR 105 -14.607 7.074 -19.058 805 HG1 THR 105 1HG THR 105 -16.327 5.414 -18.721 806 1HG2 THR 105 1HG2 THR 105 -13.862 6.177 -16.239 807 2HG2 THR 105 2HG2 THR 105 -13.078 5.474 -17.674 808 3HG2 THR 105 3HG2 THR 105 -12.928 7.216 -17.342 809 H LYS 106 H LYS 106 -17.331 5.402 -16.741 810 HA LYS 106 HA LYS 106 -16.952 5.843 -13.861 811 1HB LYS 106 1HB LYS 106 -19.272 6.206 -14.736 812 2HB LYS 106 2HB LYS 106 -19.311 4.529 -15.239 813 1HG LYS 106 1HG LYS 106 -19.305 3.713 -13.028 814 2HG LYS 106 2HG LYS 106 -18.538 5.151 -12.385 815 1HD LYS 106 1HD LYS 106 -20.539 6.374 -12.327 816 2HD LYS 106 2HD LYS 106 -21.265 5.461 -13.634 817 1HE LYS 106 1HE LYS 106 -20.873 3.507 -11.668 818 2HE LYS 106 2HE LYS 106 -21.296 4.921 -10.724 819 1HZ LYS 106 1HZ LYS 106 -23.295 3.944 -11.302 820 2HZ LYS 106 2HZ LYS 106 -23.174 5.181 -12.362 821 3HZ LYS 106 3HZ LYS 106 -22.856 3.654 -12.848 822 H VAL 107 H VAL 107 -16.902 3.839 -12.523 823 HA VAL 107 HA VAL 107 -15.351 1.826 -13.942 824 HB VAL 107 HB VAL 107 -15.854 2.221 -10.986 825 1HG1 VAL 107 1HG1 VAL 107 -13.613 0.889 -10.938 826 2HG1 VAL 107 2HG1 VAL 107 -15.143 0.014 -11.194 827 3HG1 VAL 107 3HG1 VAL 107 -14.082 0.377 -12.577 828 1HG2 VAL 107 1HG2 VAL 107 -13.960 3.507 -12.877 829 2HG2 VAL 107 2HG2 VAL 107 -14.630 4.098 -11.337 830 3HG2 VAL 107 3HG2 VAL 107 -13.272 2.948 -11.334 831 H GLU 108 H GLU 108 -16.448 0.153 -14.823 832 HA GLU 108 HA GLU 108 -19.059 -0.448 -13.903 833 1HB GLU 108 1HB GLU 108 -18.389 -0.622 -16.296 834 2HB GLU 108 2HB GLU 108 -17.268 -1.908 -15.896 835 1HG GLU 108 1HG GLU 108 -19.006 -3.319 -16.334 836 2HG GLU 108 2HG GLU 108 -19.598 -2.863 -14.750 837 H LYS 109 H LYS 109 -18.071 -0.788 -11.589 838 HA LYS 109 HA LYS 109 -18.197 -3.539 -11.045 839 1HB LYS 109 1HB LYS 109 -15.855 -3.353 -12.010 840 2HB LYS 109 2HB LYS 109 -15.436 -2.373 -10.620 841 1HG LYS 109 1HG LYS 109 -16.853 -4.914 -9.964 842 2HG LYS 109 2HG LYS 109 -15.274 -5.127 -10.693 843 1HD LYS 109 1HD LYS 109 -14.161 -4.284 -8.863 844 2HD LYS 109 2HD LYS 109 -15.359 -3.038 -8.574 845 1HE LYS 109 1HE LYS 109 -16.555 -4.342 -7.108 846 2HE LYS 109 2HE LYS 109 -16.380 -5.784 -8.089 847 1HZ LYS 109 1HZ LYS 109 -14.491 -4.686 -6.150 848 2HZ LYS 109 2HZ LYS 109 -15.120 -6.192 -6.223 849 3HZ LYS 109 3HZ LYS 109 -13.986 -5.727 -7.303 850 H ALA 110 H ALA 110 -16.295 -0.804 -9.595 851 HA ALA 110 HA ALA 110 -17.115 -1.189 -7.022 852 1HB ALA 110 1HB ALA 110 -16.074 0.831 -6.612 853 2HB ALA 110 2HB ALA 110 -15.427 0.490 -8.235 854 3HB ALA 110 3HB ALA 110 -16.792 1.616 -8.039 855 H GLY 111 H GLY 111 -18.441 1.489 -9.089 856 1HA GLY 111 1HA GLY 111 -20.912 1.334 -9.454 857 2HA GLY 111 2HA GLY 111 -21.033 1.075 -7.725 858 H ALA 112 H ALA 112 -18.818 3.297 -9.535 859 HA ALA 112 HA ALA 112 -20.319 5.615 -9.073 860 1HB ALA 112 1HB ALA 112 -19.878 5.296 -6.723 861 2HB ALA 112 2HB ALA 112 -18.155 4.973 -7.034 862 3HB ALA 112 3HB ALA 112 -18.816 6.605 -7.294 863 H GLU 113 H GLU 113 -19.131 7.552 -9.813 864 HA GLU 113 HA GLU 113 -17.714 7.126 -12.049 865 1HB GLU 113 1HB GLU 113 -17.657 9.474 -10.117 866 2HB GLU 113 2HB GLU 113 -16.823 9.522 -11.657 867 1HG GLU 113 1HG GLU 113 -19.651 8.582 -11.804 868 2HG GLU 113 2HG GLU 113 -19.460 10.246 -11.288 869 H SER 114 H SER 114 -15.401 7.462 -12.628 870 HA SER 114 HA SER 114 -13.761 5.882 -11.078 871 1HB SER 114 1HB SER 114 -11.963 7.297 -12.576 872 2HB SER 114 2HB SER 114 -12.894 5.944 -13.188 873 HG SER 114 HG SER 114 -13.556 8.754 -13.420 874 H ALA 115 H ALA 115 -14.062 9.473 -11.366 875 HA ALA 115 HA ALA 115 -11.884 10.151 -9.784 876 1HB ALA 115 1HB ALA 115 -12.609 12.157 -10.484 877 2HB ALA 115 2HB ALA 115 -14.119 11.415 -11.066 878 3HB ALA 115 3HB ALA 115 -14.013 12.026 -9.398 879 H VAL 116 H VAL 116 -15.358 9.588 -8.907 880 HA VAL 116 HA VAL 116 -15.184 10.169 -6.236 881 HB VAL 116 HB VAL 116 -16.850 8.310 -7.892 882 1HG1 VAL 116 1HG1 VAL 116 -16.842 7.036 -5.923 883 2HG1 VAL 116 2HG1 VAL 116 -16.803 8.476 -4.877 884 3HG1 VAL 116 3HG1 VAL 116 -18.290 8.058 -5.761 885 1HG2 VAL 116 1HG2 VAL 116 -18.076 10.389 -6.184 886 2HG2 VAL 116 2HG2 VAL 116 -16.969 11.000 -7.437 887 3HG2 VAL 116 3HG2 VAL 116 -18.361 9.989 -7.895 888 H VAL 117 H VAL 117 -14.607 6.983 -7.878 889 HA VAL 117 HA VAL 117 -13.922 5.628 -5.531 890 HB VAL 117 HB VAL 117 -13.433 5.212 -8.466 891 1HG1 VAL 117 1HG1 VAL 117 -12.505 3.378 -6.229 892 2HG1 VAL 117 2HG1 VAL 117 -12.492 2.992 -7.966 893 3HG1 VAL 117 3HG1 VAL 117 -11.460 4.298 -7.338 894 1HG2 VAL 117 1HG2 VAL 117 -15.291 4.148 -6.374 895 2HG2 VAL 117 2HG2 VAL 117 -15.615 4.628 -8.058 896 3HG2 VAL 117 3HG2 VAL 117 -14.818 3.074 -7.712 897 H HIS 118 H HIS 118 -12.054 7.647 -7.829 898 HA HIS 118 HA HIS 118 -9.525 6.941 -6.955 899 1HB HIS 118 1HB HIS 118 -10.040 8.214 -9.008 900 2HB HIS 118 2HB HIS 118 -10.499 9.599 -8.038 901 HD1 HIS 118 1HD HIS 118 -7.604 8.007 -9.635 902 HD2 HIS 118 2HD HIS 118 -8.238 10.718 -6.496 903 HE1 HIS 118 1HE HIS 118 -5.359 9.141 -9.204 904 H GLU 119 H GLU 119 -11.714 9.626 -5.873 905 HA GLU 119 HA GLU 119 -9.948 10.537 -3.928 906 1HB GLU 119 1HB GLU 119 -12.922 10.856 -4.409 907 2HB GLU 119 2HB GLU 119 -12.194 11.521 -2.961 908 1HG GLU 119 1HG GLU 119 -10.478 12.680 -4.491 909 2HG GLU 119 2HG GLU 119 -11.466 12.180 -5.849 910 H ARG 120 H ARG 120 -12.625 8.131 -3.885 911 HA ARG 120 HA ARG 120 -12.751 7.813 -1.162 912 1HB ARG 120 1HB ARG 120 -13.650 6.373 -3.568 913 2HB ARG 120 2HB ARG 120 -13.256 5.257 -2.275 914 1HG ARG 120 1HG ARG 120 -14.660 7.167 -0.872 915 2HG ARG 120 2HG ARG 120 -15.446 7.281 -2.434 916 1HD ARG 120 1HD ARG 120 -16.688 5.604 -1.279 917 2HD ARG 120 2HD ARG 120 -15.650 4.696 -2.361 918 HE ARG 120 HE ARG 120 -14.341 5.124 0.188 919 1HH1 ARG 120 2HH2 ARG 120 -16.803 3.167 -1.391 920 2HH1 ARG 120 1HH2 ARG 120 -16.625 1.834 -0.299 921 1HH2 ARG 120 2HH1 ARG 120 -14.106 3.366 1.628 922 2HH2 ARG 120 1HH1 ARG 120 -15.080 1.948 1.429 923 H MET 121 H MET 121 -11.117 5.610 -3.571 924 HA MET 121 HA MET 121 -9.813 4.090 -1.705 925 1HB MET 121 1HB MET 121 -9.766 4.566 -4.602 926 2HB MET 121 2HB MET 121 -8.134 4.289 -4.024 927 1HG MET 121 1HG MET 121 -10.382 2.443 -3.149 928 2HG MET 121 2HG MET 121 -9.631 2.223 -4.717 929 1HE MET 121 1HE MET 121 -6.757 0.403 -4.347 930 2HE MET 121 2HE MET 121 -8.175 -0.469 -3.717 931 3HE MET 121 3HE MET 121 -8.368 0.700 -5.045 932 H ASP 122 H ASP 122 -8.859 7.192 -3.250 933 HA ASP 122 HA ASP 122 -6.230 7.211 -2.507 934 1HB ASP 122 1HB ASP 122 -7.142 8.893 -4.008 935 2HB ASP 122 2HB ASP 122 -8.274 9.452 -2.793 936 H ARG 123 H ARG 123 -9.141 8.636 -0.832 937 HA ARG 123 HA ARG 123 -7.842 9.604 1.352 938 1HB ARG 123 1HB ARG 123 -10.645 8.709 0.745 939 2HB ARG 123 2HB ARG 123 -10.254 8.902 2.443 940 1HG ARG 123 1HG ARG 123 -9.166 11.213 1.480 941 2HG ARG 123 2HG ARG 123 -10.421 10.975 0.281 942 1HD ARG 123 1HD ARG 123 -11.798 10.447 2.638 943 2HD ARG 123 2HD ARG 123 -10.671 11.684 3.158 944 HE ARG 123 HE ARG 123 -11.987 13.220 2.010 945 1HH1 ARG 123 2HH2 ARG 123 -12.279 10.102 0.404 946 2HH1 ARG 123 1HH2 ARG 123 -13.392 10.678 -0.791 947 1HH2 ARG 123 2HH1 ARG 123 -13.456 13.980 0.433 948 2HH2 ARG 123 1HH1 ARG 123 -14.066 12.899 -0.775 949 H GLY 124 H GLY 124 -9.374 6.351 0.845 950 1HA GLY 124 1HA GLY 124 -8.806 5.321 3.403 951 2HA GLY 124 2HA GLY 124 -9.168 4.405 1.953 952 H TRP 125 H TRP 125 -6.938 5.477 0.332 953 HA TRP 125 HA TRP 125 -4.996 3.602 0.954 954 1HB TRP 125 1HB TRP 125 -5.400 5.734 -0.980 955 2HB TRP 125 2HB TRP 125 -3.717 5.597 -0.511 956 HD1 TRP 125 HD TRP 125 -5.987 4.202 -3.004 957 HE1 TRP 125 1HE TRP 125 -5.154 1.950 -4.097 958 HE3 TRP 125 3HE TRP 125 -2.423 3.216 0.486 959 HZ2 TRP 125 2HZ TRP 125 -3.142 0.051 -3.395 960 HZ3 TRP 125 3HZ TRP 125 -1.068 1.142 0.208 961 HH2 TRP 125 HH TRP 125 -1.381 -0.415 -1.651 962 H HIS 126 H HIS 126 -5.038 7.206 1.462 963 HA HIS 126 HA HIS 126 -2.615 7.270 2.833 964 1HB HIS 126 1HB HIS 126 -4.130 9.141 1.759 965 2HB HIS 126 2HB HIS 126 -4.807 9.249 3.371 966 HD1 HIS 126 1HD HIS 126 -1.123 8.554 2.781 967 HD2 HIS 126 2HD HIS 126 -3.621 11.703 3.981 968 HE1 HIS 126 1HE HIS 126 0.416 10.401 3.635 969 H ASP 127 H ASP 127 -6.034 7.288 4.068 970 HA ASP 127 HA ASP 127 -5.455 7.333 6.709 971 1HB ASP 127 1HB ASP 127 -7.724 7.002 5.151 972 2HB ASP 127 2HB ASP 127 -7.626 5.440 5.940 973 H LEU 128 H LEU 128 -5.343 4.643 4.346 974 HA LEU 128 HA LEU 128 -5.085 2.593 6.303 975 1HB LEU 128 1HB LEU 128 -6.035 1.995 4.245 976 2HB LEU 128 2HB LEU 128 -4.755 2.755 3.321 977 HG LEU 128 HG LEU 128 -3.178 1.022 3.981 978 1HD1 LEU 128 1HD1 LEU 128 -3.879 -0.934 5.289 979 2HD1 LEU 128 2HD1 LEU 128 -3.985 0.572 6.233 980 3HD1 LEU 128 3HD1 LEU 128 -5.462 -0.172 5.575 981 1HD2 LEU 128 1HD2 LEU 128 -4.712 -1.008 3.093 982 2HD2 LEU 128 2HD2 LEU 128 -5.728 0.374 2.618 983 3HD2 LEU 128 3HD2 LEU 128 -4.048 0.265 2.041 984 H VAL 129 H VAL 129 -2.900 4.780 4.540 985 HA VAL 129 HA VAL 129 -0.637 3.400 5.802 986 HB VAL 129 HB VAL 129 -0.818 3.670 3.263 987 1HG1 VAL 129 1HG1 VAL 129 0.447 6.278 3.265 988 2HG1 VAL 129 2HG1 VAL 129 -0.954 5.695 2.334 989 3HG1 VAL 129 3HG1 VAL 129 -1.188 6.367 3.965 990 1HG2 VAL 129 1HG2 VAL 129 1.306 3.044 3.577 991 2HG2 VAL 129 2HG2 VAL 129 1.737 4.770 3.509 992 3HG2 VAL 129 3HG2 VAL 129 1.438 3.989 5.080 993 H ASN 130 H ASN 130 -2.485 5.129 7.263 994 HA ASN 130 HA ASN 130 -0.666 7.358 7.743 995 1HB ASN 130 1HB ASN 130 -3.538 7.304 7.273 996 2HB ASN 130 2HB ASN 130 -3.253 7.882 8.903 997 1HD2 ASN 130 1HD2 ASN 130 -1.793 8.209 5.665 998 2HD2 ASN 130 2HD2 ASN 130 -1.590 9.929 5.690 999 H GLU 131 H GLU 131 -3.311 5.338 9.247 1000 HA GLU 131 HA GLU 131 -1.729 5.370 11.699 1001 1HB GLU 131 1HB GLU 131 -4.730 4.910 11.579 1002 2HB GLU 131 2HB GLU 131 -3.758 5.306 12.982 1003 1HG GLU 131 1HG GLU 131 -3.257 7.397 11.123 1004 2HG GLU 131 2HG GLU 131 -4.981 7.100 11.020 1005 H ARG 132 H ARG 132 -4.170 3.439 9.816 1006 HA ARG 132 HA ARG 132 -4.112 1.130 11.057 1007 1HB ARG 132 1HB ARG 132 -3.898 1.622 8.049 1008 2HB ARG 132 2HB ARG 132 -4.230 0.035 8.714 1009 1HG ARG 132 1HG ARG 132 -5.961 2.137 9.872 1010 2HG ARG 132 2HG ARG 132 -6.137 2.002 8.134 1011 1HD ARG 132 1HD ARG 132 -7.563 0.274 8.585 1012 2HD ARG 132 2HD ARG 132 -6.117 -0.669 8.886 1013 HE ARG 132 HE ARG 132 -6.560 -0.594 11.189 1014 1HH1 ARG 132 2HH2 ARG 132 -8.529 1.810 9.539 1015 2HH1 ARG 132 1HH2 ARG 132 -9.473 2.186 10.942 1016 1HH2 ARG 132 2HH1 ARG 132 -7.805 -0.098 13.040 1017 2HH2 ARG 132 1HH1 ARG 132 -9.058 1.093 12.947 1018 H LEU 133 H LEU 133 -1.685 2.029 8.486 1019 HA LEU 133 HA LEU 133 -0.081 -0.241 8.956 1020 1HB LEU 133 1HB LEU 133 -0.019 0.773 6.832 1021 2HB LEU 133 2HB LEU 133 0.311 2.361 7.497 1022 HG LEU 133 HG LEU 133 2.563 1.762 8.057 1023 1HD1 LEU 133 1HD1 LEU 133 1.577 -1.014 7.684 1024 2HD1 LEU 133 2HD1 LEU 133 3.251 -0.678 7.181 1025 3HD1 LEU 133 3HD1 LEU 133 2.741 -0.349 8.855 1026 1HD2 LEU 133 1HD2 LEU 133 2.986 2.334 5.950 1027 2HD2 LEU 133 2HD2 LEU 133 3.045 0.595 5.575 1028 3HD2 LEU 133 3HD2 LEU 133 1.529 1.502 5.354 1029 H ARG 134 H ARG 134 0.024 3.184 10.091 1030 HA ARG 134 HA ARG 134 2.426 3.137 11.314 1031 1HB ARG 134 1HB ARG 134 0.786 5.090 11.105 1032 2HB ARG 134 2HB ARG 134 -0.092 4.433 12.472 1033 1HG ARG 134 1HG ARG 134 2.516 4.459 13.437 1034 2HG ARG 134 2HG ARG 134 2.501 5.882 12.414 1035 1HD ARG 134 1HD ARG 134 0.051 5.680 14.046 1036 2HD ARG 134 2HD ARG 134 1.495 5.713 15.037 1037 HE ARG 134 HE ARG 134 0.406 7.931 13.564 1038 1HH1 ARG 134 2HH2 ARG 134 3.489 6.483 14.447 1039 2HH1 ARG 134 1HH2 ARG 134 4.361 7.977 14.360 1040 1HH2 ARG 134 2HH1 ARG 134 1.556 9.902 13.448 1041 2HH2 ARG 134 1HH1 ARG 134 3.254 9.935 13.787 1042 H GLN 135 H GLN 135 -0.734 1.862 12.477 1043 HA GLN 135 HA GLN 135 0.040 1.376 15.086 1044 1HB GLN 135 1HB GLN 135 -2.218 0.814 13.371 1045 2HB GLN 135 2HB GLN 135 -1.826 -0.643 14.262 1046 1HG GLN 135 1HG GLN 135 -1.609 1.203 16.276 1047 2HG GLN 135 2HG GLN 135 -2.807 1.999 15.274 1048 1HE2 GLN 135 1HE2 GLN 135 -4.718 1.668 16.112 1049 2HE2 GLN 135 2HE2 GLN 135 -5.380 0.161 16.652 1050 H ILE 136 H ILE 136 0.633 -0.376 12.056 1051 HA ILE 136 HA ILE 136 1.294 -2.855 13.189 1052 HB ILE 136 HB ILE 136 2.247 -1.595 10.614 1053 1HG1 ILE 136 1HG1 ILE 136 -0.162 -1.529 10.689 1054 2HG1 ILE 136 2HG1 ILE 136 0.349 -2.780 9.575 1055 1HG2 ILE 136 1HG2 ILE 136 3.620 -3.463 11.024 1056 2HG2 ILE 136 2HG2 ILE 136 2.263 -4.434 11.643 1057 3HG2 ILE 136 3HG2 ILE 136 2.357 -4.039 9.910 1058 1HD1 ILE 136 1HD1 ILE 136 -1.367 -3.815 10.847 1059 2HD1 ILE 136 2HD1 ILE 136 0.132 -4.417 11.594 1060 3HD1 ILE 136 3HD1 ILE 136 -0.786 -3.105 12.372 1061 H VAL 137 H VAL 137 2.905 0.247 13.126 1062 HA VAL 137 HA VAL 137 5.369 -1.069 14.038 1063 HB VAL 137 HB VAL 137 6.466 1.066 13.370 1064 1HG1 VAL 137 1HG1 VAL 137 5.110 -0.752 11.393 1065 2HG1 VAL 137 2HG1 VAL 137 6.087 0.620 10.816 1066 3HG1 VAL 137 3HG1 VAL 137 6.830 -0.635 11.836 1067 1HG2 VAL 137 1HG2 VAL 137 3.833 1.662 11.980 1068 2HG2 VAL 137 2HG2 VAL 137 4.421 2.483 13.446 1069 3HG2 VAL 137 3HG2 VAL 137 5.323 2.635 11.919 1070 H GLU 138 H GLU 138 2.591 0.738 14.931 1071 HA GLU 138 HA GLU 138 4.002 1.717 17.289 1072 1HB GLU 138 1HB GLU 138 1.847 2.854 15.591 1073 2HB GLU 138 2HB GLU 138 1.554 3.006 17.312 1074 1HG GLU 138 1HG GLU 138 4.341 3.658 16.500 1075 2HG GLU 138 2HG GLU 138 3.132 4.724 15.813 Start of MODEL 3 1 1H MET 1 H MET 1 -8.853 21.706 -18.398 2 HA MET 1 HA MET 1 -9.686 21.432 -15.616 3 1HB MET 1 1HB MET 1 -11.077 20.671 -17.828 4 2HB MET 1 2HB MET 1 -10.074 19.242 -17.671 5 1HG MET 1 1HG MET 1 -11.398 18.466 -15.999 6 2HG MET 1 2HG MET 1 -11.061 19.894 -15.041 7 1HE MET 1 1HE MET 1 -13.460 21.398 -14.302 8 2HE MET 1 2HE MET 1 -14.670 20.108 -14.505 9 3HE MET 1 3HE MET 1 -13.030 19.709 -13.940 10 H THR 2 H THR 2 -9.214 18.935 -14.894 11 HA THR 2 HA THR 2 -6.559 18.149 -15.825 12 HB THR 2 HB THR 2 -5.795 18.059 -13.419 13 HG1 THR 2 1HG THR 2 -7.868 17.983 -12.397 14 1HG2 THR 2 1HG2 THR 2 -5.668 20.520 -12.996 15 2HG2 THR 2 2HG2 THR 2 -5.282 20.151 -14.694 16 3HG2 THR 2 3HG2 THR 2 -6.884 20.797 -14.266 17 H ARG 3 H ARG 3 -5.973 15.953 -15.241 18 HA ARG 3 HA ARG 3 -8.393 14.388 -15.001 19 1HB ARG 3 1HB ARG 3 -6.909 12.495 -15.810 20 2HB ARG 3 2HB ARG 3 -7.018 13.832 -16.938 21 1HG ARG 3 1HG ARG 3 -4.818 14.102 -14.952 22 2HG ARG 3 2HG ARG 3 -4.650 12.721 -16.018 23 1HD ARG 3 1HD ARG 3 -5.450 15.273 -17.360 24 2HD ARG 3 2HD ARG 3 -3.839 15.265 -16.670 25 HE ARG 3 HE ARG 3 -4.024 12.835 -18.044 26 1HH1 ARG 3 2HH2 ARG 3 -4.353 16.235 -18.890 27 2HH1 ARG 3 1HH2 ARG 3 -3.818 16.012 -20.522 28 1HH2 ARG 3 2HH1 ARG 3 -3.318 12.541 -20.197 29 2HH2 ARG 3 1HH1 ARG 3 -3.225 13.897 -21.271 30 H LEU 4 H LEU 4 -7.567 11.979 -13.982 31 HA LEU 4 HA LEU 4 -7.078 12.645 -11.240 32 1HB LEU 4 1HB LEU 4 -7.402 9.955 -12.578 33 2HB LEU 4 2HB LEU 4 -7.439 10.269 -10.854 34 HG LEU 4 HG LEU 4 -9.430 11.413 -12.831 35 1HD1 LEU 4 1HD1 LEU 4 -10.688 9.545 -11.135 36 2HD1 LEU 4 2HD1 LEU 4 -10.416 9.428 -12.890 37 3HD1 LEU 4 3HD1 LEU 4 -9.221 8.752 -11.757 38 1HD2 LEU 4 1HD2 LEU 4 -10.682 12.167 -10.984 39 2HD2 LEU 4 2HD2 LEU 4 -9.706 11.228 -9.829 40 3HD2 LEU 4 3HD2 LEU 4 -9.001 12.644 -10.646 41 HA PRO 5 HA PRO 5 -2.759 12.177 -11.760 42 1HB PRO 5 1HB PRO 5 -2.030 13.154 -9.314 43 2HB PRO 5 2HB PRO 5 -2.306 14.176 -10.711 44 1HG PRO 5 1HG PRO 5 -4.033 13.762 -8.347 45 2HG PRO 5 2HG PRO 5 -4.072 15.062 -9.521 46 1HD PRO 5 1HD PRO 5 -5.869 12.831 -9.370 47 2HD PRO 5 2HD PRO 5 -5.836 14.068 -10.611 48 H ASP 6 H ASP 6 -0.903 11.038 -10.738 49 HA ASP 6 HA ASP 6 -1.767 8.495 -10.099 50 1HB ASP 6 1HB ASP 6 0.713 8.317 -9.218 51 2HB ASP 6 2HB ASP 6 0.421 8.576 -10.927 52 H ILE 7 H ILE 7 -2.505 7.676 -8.128 53 HA ILE 7 HA ILE 7 -2.748 9.336 -5.886 54 HB ILE 7 HB ILE 7 -3.156 6.413 -6.424 55 1HG1 ILE 7 1HG1 ILE 7 -5.007 8.726 -5.778 56 2HG1 ILE 7 2HG1 ILE 7 -4.805 7.946 -7.334 57 1HG2 ILE 7 1HG2 ILE 7 -2.541 6.171 -4.219 58 2HG2 ILE 7 2HG2 ILE 7 -3.103 7.798 -3.765 59 3HG2 ILE 7 3HG2 ILE 7 -4.284 6.500 -4.062 60 1HD1 ILE 7 1HD1 ILE 7 -6.715 6.862 -6.513 61 2HD1 ILE 7 2HD1 ILE 7 -5.431 5.736 -6.011 62 3HD1 ILE 7 3HD1 ILE 7 -6.124 6.877 -4.834 63 H LYS 8 H LYS 8 -0.722 10.210 -5.309 64 HA LYS 8 HA LYS 8 1.174 8.214 -4.283 65 1HB LYS 8 1HB LYS 8 2.402 9.235 -5.929 66 2HB LYS 8 2HB LYS 8 1.549 10.759 -5.796 67 1HG LYS 8 1HG LYS 8 2.668 11.185 -3.591 68 2HG LYS 8 2HG LYS 8 3.534 9.670 -3.744 69 1HD LYS 8 1HD LYS 8 4.334 10.649 -6.069 70 2HD LYS 8 2HD LYS 8 3.839 12.192 -5.402 71 1HE LYS 8 1HE LYS 8 5.425 12.067 -3.612 72 2HE LYS 8 2HE LYS 8 5.655 10.342 -3.814 73 1HZ LYS 8 1HZ LYS 8 6.922 12.479 -5.170 74 2HZ LYS 8 2HZ LYS 8 7.374 10.914 -5.054 75 3HZ LYS 8 3HZ LYS 8 6.325 11.376 -6.217 76 H LYS 9 H LYS 9 1.456 8.159 -2.116 77 HA LYS 9 HA LYS 9 0.786 10.594 -0.630 78 1HB LYS 9 1HB LYS 9 -0.409 7.871 -0.356 79 2HB LYS 9 2HB LYS 9 -0.070 8.755 1.118 80 1HG LYS 9 1HG LYS 9 -2.248 9.482 0.604 81 2HG LYS 9 2HG LYS 9 -1.268 10.771 -0.065 82 1HD LYS 9 1HD LYS 9 -1.978 10.333 -2.180 83 2HD LYS 9 2HD LYS 9 -1.589 8.631 -2.030 84 1HE LYS 9 1HE LYS 9 -4.118 9.900 -0.878 85 2HE LYS 9 2HE LYS 9 -4.051 9.106 -2.439 86 1HZ LYS 9 1HZ LYS 9 -3.082 7.181 -1.082 87 2HZ LYS 9 2HZ LYS 9 -3.753 7.927 0.206 88 3HZ LYS 9 3HZ LYS 9 -4.693 7.441 -1.037 89 H GLU 10 H GLU 10 1.708 10.461 1.679 90 HA GLU 10 HA GLU 10 3.941 8.680 1.901 91 1HB GLU 10 1HB GLU 10 4.887 10.556 0.578 92 2HB GLU 10 2HB GLU 10 4.357 11.701 1.795 93 1HG GLU 10 1HG GLU 10 6.054 9.395 2.727 94 2HG GLU 10 2HG GLU 10 6.849 10.644 1.788 95 H VAL 11 H VAL 11 4.529 8.326 4.079 96 HA VAL 11 HA VAL 11 3.304 10.083 6.060 97 HB VAL 11 HB VAL 11 2.763 7.826 7.278 98 1HG1 VAL 11 1HG1 VAL 11 0.636 8.474 6.993 99 2HG1 VAL 11 2HG1 VAL 11 1.279 9.736 5.915 100 3HG1 VAL 11 3HG1 VAL 11 0.701 8.196 5.236 101 1HG2 VAL 11 1HG2 VAL 11 2.647 5.921 6.084 102 2HG2 VAL 11 2HG2 VAL 11 1.967 6.742 4.658 103 3HG2 VAL 11 3HG2 VAL 11 3.724 6.753 4.938 104 H ARG 12 H ARG 12 4.337 9.910 8.188 105 HA ARG 12 HA ARG 12 6.937 8.619 7.980 106 1HB ARG 12 1HB ARG 12 7.199 11.077 7.781 107 2HB ARG 12 2HB ARG 12 6.270 11.324 9.246 108 1HG ARG 12 1HG ARG 12 8.272 9.520 10.045 109 2HG ARG 12 2HG ARG 12 9.109 10.586 8.934 110 1HD ARG 12 1HD ARG 12 8.876 12.439 10.308 111 2HD ARG 12 2HD ARG 12 7.299 11.947 10.891 112 HE ARG 12 HE ARG 12 9.429 10.175 11.815 113 1HH1 ARG 12 2HH2 ARG 12 7.753 13.201 12.456 114 2HH1 ARG 12 1HH2 ARG 12 8.149 13.212 14.142 115 1HH2 ARG 12 2HH1 ARG 12 9.952 10.188 14.039 116 2HH2 ARG 12 1HH1 ARG 12 9.409 11.486 15.049 117 H PHE 13 H PHE 13 7.131 7.034 9.531 118 HA PHE 13 HA PHE 13 5.583 7.412 11.997 119 1HB PHE 13 1HB PHE 13 6.585 4.876 10.567 120 2HB PHE 13 2HB PHE 13 5.601 4.879 12.017 121 HD1 PHE 13 1HD PHE 13 3.607 6.974 11.328 122 HD2 PHE 13 2HD PHE 13 5.232 3.833 8.983 123 HE1 PHE 13 1HE PHE 13 1.530 6.952 9.918 124 HE2 PHE 13 2HE PHE 13 3.155 3.810 7.574 125 HZ PHE 13 HZ PHE 13 1.329 5.370 8.058 126 H ASN 14 H ASN 14 6.566 6.727 14.007 127 HA ASN 14 HA ASN 14 9.424 7.025 13.885 128 1HB ASN 14 1HB ASN 14 7.342 7.711 15.755 129 2HB ASN 14 2HB ASN 14 8.402 6.584 16.577 130 1HD2 ASN 14 1HD2 ASN 14 8.346 8.970 17.617 131 2HD2 ASN 14 2HD2 ASN 14 9.751 9.919 17.259 132 H ALA 15 H ALA 15 10.413 5.027 13.399 133 HA ALA 15 HA ALA 15 10.491 3.017 15.311 134 1HB ALA 15 1HB ALA 15 9.288 1.458 13.292 135 2HB ALA 15 2HB ALA 15 8.624 1.831 14.901 136 3HB ALA 15 3HB ALA 15 8.213 2.861 13.508 137 HA PRO 16 HA PRO 16 13.787 1.900 12.741 138 1HB PRO 16 1HB PRO 16 14.093 -0.790 13.116 139 2HB PRO 16 2HB PRO 16 14.646 0.407 14.270 140 1HG PRO 16 1HG PRO 16 12.288 -1.368 14.429 141 2HG PRO 16 2HG PRO 16 13.091 -0.492 15.716 142 1HD PRO 16 1HD PRO 16 10.617 0.210 14.446 143 2HD PRO 16 2HD PRO 16 11.478 1.146 15.651 144 H ILE 17 H ILE 17 14.205 1.802 10.618 145 HA ILE 17 HA ILE 17 12.152 1.137 8.895 146 HB ILE 17 HB ILE 17 14.014 2.593 8.339 147 1HG1 ILE 17 1HG1 ILE 17 14.094 0.280 6.403 148 2HG1 ILE 17 2HG1 ILE 17 12.642 1.238 6.614 149 1HG2 ILE 17 1HG2 ILE 17 16.185 1.411 7.595 150 2HG2 ILE 17 2HG2 ILE 17 15.916 1.689 9.332 151 3HG2 ILE 17 3HG2 ILE 17 15.638 0.075 8.635 152 1HD1 ILE 17 1HD1 ILE 17 13.809 3.288 5.987 153 2HD1 ILE 17 2HD1 ILE 17 15.374 2.440 5.976 154 3HD1 ILE 17 3HD1 ILE 17 14.143 2.052 4.750 155 H GLU 18 H GLU 18 14.499 -0.883 10.577 156 HA GLU 18 HA GLU 18 14.390 -3.055 8.838 157 1HB GLU 18 1HB GLU 18 15.751 -2.388 11.187 158 2HB GLU 18 2HB GLU 18 14.753 -3.739 11.686 159 1HG GLU 18 1HG GLU 18 16.313 -3.917 9.093 160 2HG GLU 18 2HG GLU 18 17.140 -4.178 10.615 161 H LYS 19 H LYS 19 12.192 -1.815 11.308 162 HA LYS 19 HA LYS 19 10.750 -4.303 11.508 163 1HB LYS 19 1HB LYS 19 11.121 -2.619 13.392 164 2HB LYS 19 2HB LYS 19 9.941 -1.599 12.594 165 1HG LYS 19 1HG LYS 19 8.238 -3.388 12.737 166 2HG LYS 19 2HG LYS 19 9.415 -4.493 13.421 167 1HD LYS 19 1HD LYS 19 9.688 -2.994 15.399 168 2HD LYS 19 2HD LYS 19 8.536 -1.865 14.711 169 1HE LYS 19 1HE LYS 19 7.057 -3.056 16.027 170 2HE LYS 19 2HE LYS 19 6.993 -4.087 14.610 171 1HZ LYS 19 1HZ LYS 19 8.978 -4.541 16.710 172 2HZ LYS 19 2HZ LYS 19 7.470 -5.159 16.823 173 3HZ LYS 19 3HZ LYS 19 8.438 -5.590 15.580 174 H VAL 20 H VAL 20 10.056 -0.940 10.311 175 HA VAL 20 HA VAL 20 7.605 -1.570 9.175 176 HB VAL 20 HB VAL 20 9.665 0.528 8.471 177 1HG1 VAL 20 1HG1 VAL 20 8.287 1.445 6.937 178 2HG1 VAL 20 2HG1 VAL 20 7.579 -0.186 6.855 179 3HG1 VAL 20 3HG1 VAL 20 6.822 1.063 7.872 180 1HG2 VAL 20 1HG2 VAL 20 8.636 1.939 10.001 181 2HG2 VAL 20 2HG2 VAL 20 7.117 1.011 9.999 182 3HG2 VAL 20 3HG2 VAL 20 8.552 0.368 10.832 183 H TRP 21 H TRP 21 10.958 -1.937 7.979 184 HA TRP 21 HA TRP 21 10.322 -2.413 5.300 185 1HB TRP 21 1HB TRP 21 12.553 -1.882 5.923 186 2HB TRP 21 2HB TRP 21 12.647 -3.231 7.038 187 HD1 TRP 21 HD TRP 21 14.266 -4.991 5.998 188 HE1 TRP 21 1HE TRP 21 14.747 -6.103 3.654 189 HE3 TRP 21 3HE TRP 21 10.861 -2.243 3.408 190 HZ2 TRP 21 2HZ TRP 21 13.673 -5.717 1.038 191 HZ3 TRP 21 3HZ TRP 21 10.640 -2.673 0.962 192 HH2 TRP 21 HH TRP 21 11.977 -4.340 -0.223 193 H GLU 22 H GLU 22 10.723 -4.594 8.171 194 HA GLU 22 HA GLU 22 10.162 -6.909 6.691 195 1HB GLU 22 1HB GLU 22 10.961 -6.235 9.357 196 2HB GLU 22 2HB GLU 22 9.528 -7.234 9.499 197 1HG GLU 22 1HG GLU 22 10.780 -8.716 7.645 198 2HG GLU 22 2HG GLU 22 12.205 -7.916 8.277 199 H ALA 23 H ALA 23 8.199 -4.403 8.178 200 HA ALA 23 HA ALA 23 5.845 -6.000 8.424 201 1HB ALA 23 1HB ALA 23 4.790 -3.873 8.990 202 2HB ALA 23 2HB ALA 23 6.360 -3.993 9.820 203 3HB ALA 23 3HB ALA 23 6.196 -2.976 8.369 204 H VAL 24 H VAL 24 7.564 -4.478 5.828 205 HA VAL 24 HA VAL 24 5.142 -4.629 4.169 206 HB VAL 24 HB VAL 24 6.081 -2.919 2.784 207 1HG1 VAL 24 1HG1 VAL 24 5.752 -2.468 5.694 208 2HG1 VAL 24 2HG1 VAL 24 6.564 -1.160 4.800 209 3HG1 VAL 24 3HG1 VAL 24 4.939 -1.698 4.310 210 1HG2 VAL 24 1HG2 VAL 24 8.453 -2.594 4.617 211 2HG2 VAL 24 2HG2 VAL 24 8.502 -3.737 3.254 212 3HG2 VAL 24 3HG2 VAL 24 8.222 -2.005 2.953 213 H SER 25 H SER 25 7.454 -6.589 5.091 214 HA SER 25 HA SER 25 8.140 -7.371 2.365 215 1HB SER 25 1HB SER 25 10.248 -8.103 3.079 216 2HB SER 25 2HB SER 25 10.012 -6.671 4.061 217 HG SER 25 HG SER 25 9.000 -8.356 5.650 218 H THR 26 H THR 26 7.029 -8.352 5.628 219 HA THR 26 HA THR 26 6.704 -11.112 4.789 220 HB THR 26 HB THR 26 5.937 -11.326 7.198 221 HG1 THR 26 1HG THR 26 6.058 -9.296 8.400 222 1HG2 THR 26 1HG2 THR 26 8.350 -9.573 7.457 223 2HG2 THR 26 2HG2 THR 26 8.088 -11.229 8.055 224 3HG2 THR 26 3HG2 THR 26 8.531 -10.956 6.352 225 H SER 27 H SER 27 4.544 -12.200 5.308 226 HA SER 27 HA SER 27 2.579 -10.669 3.884 227 1HB SER 27 1HB SER 27 2.774 -13.561 4.793 228 2HB SER 27 2HB SER 27 1.278 -12.918 4.146 229 HG SER 27 HG SER 27 3.540 -13.722 2.807 230 H GLU 28 H GLU 28 3.089 -12.194 7.113 231 HA GLU 28 HA GLU 28 0.531 -11.652 8.067 232 1HB GLU 28 1HB GLU 28 2.927 -12.872 9.017 233 2HB GLU 28 2HB GLU 28 2.518 -11.635 10.190 234 1HG GLU 28 1HG GLU 28 0.330 -13.458 9.165 235 2HG GLU 28 2HG GLU 28 1.454 -14.075 10.360 236 H GLY 29 H GLY 29 3.562 -9.757 7.934 237 1HA GLY 29 1HA GLY 29 2.671 -7.689 9.695 238 2HA GLY 29 2HA GLY 29 4.063 -7.665 8.632 239 H LEU 30 H LEU 30 2.479 -8.368 6.182 240 HA LEU 30 HA LEU 30 1.696 -5.693 5.542 241 1HB LEU 30 1HB LEU 30 2.353 -8.167 4.150 242 2HB LEU 30 2HB LEU 30 0.980 -7.347 3.433 243 HG LEU 30 HG LEU 30 3.236 -5.556 4.035 244 1HD1 LEU 30 1HD1 LEU 30 3.756 -8.090 2.695 245 2HD1 LEU 30 2HD1 LEU 30 4.139 -6.687 1.668 246 3HD1 LEU 30 3HD1 LEU 30 4.886 -6.843 3.276 247 1HD2 LEU 30 1HD2 LEU 30 1.022 -5.311 2.577 248 2HD2 LEU 30 2HD2 LEU 30 2.523 -4.439 2.186 249 3HD2 LEU 30 3HD2 LEU 30 2.103 -5.927 1.304 250 H ALA 31 H ALA 31 0.012 -8.914 5.605 251 HA ALA 31 HA ALA 31 -2.515 -7.959 5.062 252 1HB ALA 31 1HB ALA 31 -1.891 -10.253 6.949 253 2HB ALA 31 2HB ALA 31 -3.267 -10.084 5.833 254 3HB ALA 31 3HB ALA 31 -1.630 -10.364 5.192 255 H PHE 32 H PHE 32 -0.501 -7.492 7.863 256 HA PHE 32 HA PHE 32 -2.464 -7.253 9.827 257 1HB PHE 32 1HB PHE 32 0.317 -7.064 9.544 258 2HB PHE 32 2HB PHE 32 -0.106 -5.390 9.842 259 HD1 PHE 32 1HD PHE 32 1.423 -7.621 11.536 260 HD2 PHE 32 2HD PHE 32 -2.419 -5.829 11.726 261 HE1 PHE 32 1HE PHE 32 1.328 -8.084 14.001 262 HE2 PHE 32 2HE PHE 32 -2.514 -6.292 14.191 263 HZ PHE 32 HZ PHE 32 -0.639 -7.414 15.299 264 H TRP 33 H TRP 33 -1.582 -5.183 7.127 265 HA TRP 33 HA TRP 33 -3.491 -3.200 8.136 266 1HB TRP 33 1HB TRP 33 -2.073 -1.405 7.230 267 2HB TRP 33 2HB TRP 33 -1.364 -2.234 8.601 268 HD1 TRP 33 HD TRP 33 0.744 -3.968 7.986 269 HE1 TRP 33 1HE TRP 33 2.574 -3.941 6.085 270 HE3 TRP 33 3HE TRP 33 -1.749 -0.781 4.906 271 HZ2 TRP 33 2HZ TRP 33 2.769 -2.619 3.563 272 HZ3 TRP 33 3HZ TRP 33 -0.669 -0.174 2.744 273 HH2 TRP 33 HH TRP 33 1.511 -1.037 2.054 274 H PHE 34 H PHE 34 -1.522 -4.442 5.348 275 HA PHE 34 HA PHE 34 -3.224 -3.354 3.392 276 1HB PHE 34 1HB PHE 34 -0.932 -3.994 2.859 277 2HB PHE 34 2HB PHE 34 -1.126 -5.575 3.590 278 HD1 PHE 34 1HD PHE 34 -3.350 -3.883 1.133 279 HD2 PHE 34 2HD PHE 34 -0.620 -7.049 1.858 280 HE1 PHE 34 1HE PHE 34 -3.883 -4.857 -1.118 281 HE2 PHE 34 2HE PHE 34 -1.152 -8.024 -0.393 282 HZ PHE 34 HZ PHE 34 -2.777 -6.916 -1.854 283 H MET 35 H MET 35 -2.599 -6.876 3.452 284 HA MET 35 HA MET 35 -5.143 -7.632 4.269 285 1HB MET 35 1HB MET 35 -4.816 -6.851 1.424 286 2HB MET 35 2HB MET 35 -5.408 -8.492 1.589 287 1HG MET 35 1HG MET 35 -7.040 -7.320 3.404 288 2HG MET 35 2HG MET 35 -6.717 -5.908 2.416 289 1HE MET 35 1HE MET 35 -7.755 -6.180 -0.728 290 2HE MET 35 2HE MET 35 -6.148 -6.541 -0.052 291 3HE MET 35 3HE MET 35 -7.005 -7.769 -1.014 292 H GLU 36 H GLU 36 -5.558 -10.046 3.717 293 HA GLU 36 HA GLU 36 -3.292 -11.461 4.370 294 1HB GLU 36 1HB GLU 36 -5.878 -12.444 3.084 295 2HB GLU 36 2HB GLU 36 -4.686 -13.484 3.838 296 1HG GLU 36 1HG GLU 36 -5.074 -11.646 5.849 297 2HG GLU 36 2HG GLU 36 -6.660 -11.630 5.102 298 H ASN 37 H ASN 37 -1.622 -12.345 3.199 299 HA ASN 37 HA ASN 37 -2.042 -12.913 0.428 300 1HB ASN 37 1HB ASN 37 -0.123 -11.530 -0.349 301 2HB ASN 37 2HB ASN 37 -1.360 -10.513 0.363 302 1HD2 ASN 37 1HD2 ASN 37 -1.132 -10.038 2.707 303 2HD2 ASN 37 2HD2 ASN 37 0.450 -9.721 3.337 304 H ASP 38 H ASP 38 0.374 -13.664 -0.450 305 HA ASP 38 HA ASP 38 1.544 -15.164 1.760 306 1HB ASP 38 1HB ASP 38 0.221 -16.434 -0.094 307 2HB ASP 38 2HB ASP 38 1.552 -16.028 -1.159 308 H LEU 39 H LEU 39 2.220 -12.446 0.625 309 HA LEU 39 HA LEU 39 4.406 -12.665 -1.127 310 1HB LEU 39 1HB LEU 39 3.018 -10.655 -0.797 311 2HB LEU 39 2HB LEU 39 3.680 -10.467 0.815 312 HG LEU 39 HG LEU 39 5.842 -10.648 -1.083 313 1HD1 LEU 39 1HD1 LEU 39 5.449 -8.726 -2.463 314 2HD1 LEU 39 2HD1 LEU 39 4.101 -9.867 -2.689 315 3HD1 LEU 39 3HD1 LEU 39 3.881 -8.418 -1.679 316 1HD2 LEU 39 1HD2 LEU 39 5.019 -8.174 0.423 317 2HD2 LEU 39 2HD2 LEU 39 5.673 -9.597 1.270 318 3HD2 LEU 39 3HD2 LEU 39 6.650 -8.772 0.032 319 H LYS 40 H LYS 40 6.692 -12.368 -0.679 320 HA LYS 40 HA LYS 40 7.500 -12.755 2.076 321 1HB LYS 40 1HB LYS 40 7.133 -14.999 0.516 322 2HB LYS 40 2HB LYS 40 8.836 -14.662 0.278 323 1HG LYS 40 1HG LYS 40 9.354 -14.911 2.565 324 2HG LYS 40 2HG LYS 40 7.723 -14.535 3.086 325 1HD LYS 40 1HD LYS 40 8.234 -17.026 1.433 326 2HD LYS 40 2HD LYS 40 8.578 -17.040 3.151 327 1HE LYS 40 1HE LYS 40 6.089 -15.935 3.233 328 2HE LYS 40 2HE LYS 40 5.931 -16.844 1.743 329 1HZ LYS 40 1HZ LYS 40 5.546 -18.556 3.063 330 2HZ LYS 40 2HZ LYS 40 7.138 -18.570 3.429 331 3HZ LYS 40 3HZ LYS 40 6.082 -17.797 4.405 332 H ALA 41 H ALA 41 7.577 -10.687 -0.160 333 HA ALA 41 HA ALA 41 9.018 -9.298 -1.119 334 1HB ALA 41 1HB ALA 41 9.754 -8.361 0.812 335 2HB ALA 41 2HB ALA 41 10.057 -9.941 1.574 336 3HB ALA 41 3HB ALA 41 11.265 -9.237 0.473 337 H GLU 42 H GLU 42 9.110 -11.080 -2.851 338 HA GLU 42 HA GLU 42 11.903 -11.595 -3.305 339 1HB GLU 42 1HB GLU 42 10.316 -13.643 -2.261 340 2HB GLU 42 2HB GLU 42 10.277 -13.965 -3.983 341 1HG GLU 42 1HG GLU 42 12.688 -14.092 -4.119 342 2HG GLU 42 2HG GLU 42 12.889 -13.401 -2.521 343 H THR 43 H THR 43 12.300 -10.801 -5.321 344 HA THR 43 HA THR 43 10.298 -10.004 -7.071 345 HB THR 43 HB THR 43 12.936 -9.517 -6.817 346 HG1 THR 43 1HG THR 43 12.627 -8.595 -8.977 347 1HG2 THR 43 1HG2 THR 43 14.214 -10.506 -8.638 348 2HG2 THR 43 2HG2 THR 43 13.520 -11.859 -7.711 349 3HG2 THR 43 3HG2 THR 43 12.779 -11.362 -9.252 350 H GLY 44 H GLY 44 9.306 -10.851 -8.876 351 1HA GLY 44 1HA GLY 44 8.555 -12.429 -10.294 352 2HA GLY 44 2HA GLY 44 10.056 -13.303 -10.065 353 H HIS 45 H HIS 45 8.047 -12.439 -7.264 354 HA HIS 45 HA HIS 45 7.680 -15.260 -6.763 355 1HB HIS 45 1HB HIS 45 8.506 -14.019 -4.920 356 2HB HIS 45 2HB HIS 45 7.309 -12.756 -5.120 357 HD1 HIS 45 1HD HIS 45 6.950 -16.564 -4.706 358 HD2 HIS 45 2HD HIS 45 5.572 -12.971 -3.037 359 HE1 HIS 45 1HE HIS 45 5.297 -17.215 -2.875 360 H HIS 46 H HIS 46 5.535 -16.131 -6.126 361 HA HIS 46 HA HIS 46 3.380 -14.639 -7.435 362 1HB HIS 46 1HB HIS 46 2.452 -16.990 -7.937 363 2HB HIS 46 2HB HIS 46 3.739 -16.355 -8.943 364 HD1 HIS 46 1HD HIS 46 2.939 -19.096 -6.542 365 HD2 HIS 46 2HD HIS 46 6.307 -17.591 -8.540 366 HE1 HIS 46 1HE HIS 46 4.753 -20.878 -6.329 367 H PHE 47 H PHE 47 1.918 -13.973 -5.952 368 HA PHE 47 HA PHE 47 1.213 -15.860 -3.843 369 1HB PHE 47 1HB PHE 47 1.613 -14.202 -2.149 370 2HB PHE 47 2HB PHE 47 2.985 -13.994 -3.219 371 HD1 PHE 47 1HD PHE 47 -0.333 -12.614 -2.342 372 HD2 PHE 47 2HD PHE 47 3.342 -11.953 -4.358 373 HE1 PHE 47 1HE PHE 47 -0.932 -10.195 -2.640 374 HE2 PHE 47 2HE PHE 47 2.743 -9.533 -4.657 375 HZ PHE 47 HZ PHE 47 0.613 -8.683 -3.794 376 H HIS 48 H HIS 48 -0.976 -16.000 -3.555 377 HA HIS 48 HA HIS 48 -2.595 -14.249 -5.170 378 1HB HIS 48 1HB HIS 48 -2.900 -16.876 -3.837 379 2HB HIS 48 2HB HIS 48 -4.351 -15.895 -3.893 380 HD1 HIS 48 1HD HIS 48 -1.915 -17.725 -6.117 381 HD2 HIS 48 2HD HIS 48 -5.478 -15.537 -6.457 382 HE1 HIS 48 1HE HIS 48 -2.773 -18.120 -8.487 383 H LEU 49 H LEU 49 -4.611 -13.242 -4.220 384 HA LEU 49 HA LEU 49 -4.100 -12.404 -1.451 385 1HB LEU 49 1HB LEU 49 -3.508 -10.696 -3.186 386 2HB LEU 49 2HB LEU 49 -5.193 -10.671 -3.668 387 HG LEU 49 HG LEU 49 -5.676 -10.090 -1.181 388 1HD1 LEU 49 1HD1 LEU 49 -3.059 -10.557 -0.789 389 2HD1 LEU 49 2HD1 LEU 49 -3.001 -8.806 -1.108 390 3HD1 LEU 49 3HD1 LEU 49 -4.017 -9.437 0.210 391 1HD2 LEU 49 1HD2 LEU 49 -4.535 -8.267 -3.281 392 2HD2 LEU 49 2HD2 LEU 49 -6.218 -8.459 -2.735 393 3HD2 LEU 49 3HD2 LEU 49 -5.034 -7.629 -1.696 394 H GLN 50 H GLN 50 -5.866 -12.369 -0.066 395 HA GLN 50 HA GLN 50 -8.281 -13.479 -1.257 396 1HB GLN 50 1HB GLN 50 -7.155 -13.627 1.567 397 2HB GLN 50 2HB GLN 50 -8.790 -14.127 1.182 398 1HG GLN 50 1HG GLN 50 -6.941 -15.298 -0.741 399 2HG GLN 50 2HG GLN 50 -6.387 -15.645 0.885 400 1HE2 GLN 50 1HE2 GLN 50 -8.799 -16.169 -1.517 401 2HE2 GLN 50 2HE2 GLN 50 -9.738 -17.373 -0.699 402 H SER 51 H SER 51 -8.930 -11.289 -1.982 403 HA SER 51 HA SER 51 -9.432 -9.392 0.107 404 1HB SER 51 1HB SER 51 -9.592 -7.834 -1.575 405 2HB SER 51 2HB SER 51 -8.714 -9.057 -2.472 406 HG SER 51 HG SER 51 -10.908 -9.885 -3.136 407 HA PRO 52 HA PRO 52 -13.663 -10.314 0.539 408 1HB PRO 52 1HB PRO 52 -14.814 -7.881 1.016 409 2HB PRO 52 2HB PRO 52 -13.939 -8.784 2.237 410 1HG PRO 52 1HG PRO 52 -13.079 -6.390 0.732 411 2HG PRO 52 2HG PRO 52 -12.426 -7.043 2.221 412 1HD PRO 52 1HD PRO 52 -11.283 -7.270 -0.400 413 2HD PRO 52 2HD PRO 52 -10.692 -8.020 1.070 414 H PHE 53 H PHE 53 -12.618 -8.541 -2.083 415 HA PHE 53 HA PHE 53 -15.289 -8.705 -3.279 416 1HB PHE 53 1HB PHE 53 -12.748 -7.057 -3.707 417 2HB PHE 53 2HB PHE 53 -13.919 -7.180 -5.004 418 HD1 PHE 53 1HD PHE 53 -12.877 -5.030 -2.636 419 HD2 PHE 53 2HD PHE 53 -16.483 -6.901 -3.862 420 HE1 PHE 53 1HE PHE 53 -14.197 -3.150 -1.623 421 HE2 PHE 53 2HE PHE 53 -17.803 -5.021 -2.849 422 HZ PHE 53 HZ PHE 53 -16.644 -3.169 -1.742 423 H GLY 54 H GLY 54 -13.576 -11.062 -2.928 424 1HA GLY 54 1HA GLY 54 -13.446 -12.873 -4.389 425 2HA GLY 54 2HA GLY 54 -13.328 -11.785 -5.757 426 HA PRO 55 HA PRO 55 -9.118 -13.043 -4.122 427 1HB PRO 55 1HB PRO 55 -8.623 -15.455 -5.308 428 2HB PRO 55 2HB PRO 55 -9.164 -15.296 -3.649 429 1HG PRO 55 1HG PRO 55 -10.701 -16.149 -6.026 430 2HG PRO 55 2HG PRO 55 -11.079 -16.384 -4.331 431 1HD PRO 55 1HD PRO 55 -12.261 -14.462 -6.102 432 2HD PRO 55 2HD PRO 55 -12.554 -14.621 -4.382 433 H SER 56 H SER 56 -7.291 -12.301 -5.094 434 HA SER 56 HA SER 56 -7.426 -12.381 -7.995 435 1HB SER 56 1HB SER 56 -7.579 -10.005 -6.296 436 2HB SER 56 2HB SER 56 -6.175 -9.925 -7.341 437 HG SER 56 HG SER 56 -8.788 -9.519 -7.982 438 HA PRO 57 HA PRO 57 -3.277 -13.585 -7.402 439 1HB PRO 57 1HB PRO 57 -2.381 -13.468 -9.981 440 2HB PRO 57 2HB PRO 57 -3.287 -14.825 -9.342 441 1HG PRO 57 1HG PRO 57 -4.199 -12.678 -11.158 442 2HG PRO 57 2HG PRO 57 -4.931 -14.240 -10.851 443 1HD PRO 57 1HD PRO 57 -5.804 -11.706 -9.831 444 2HD PRO 57 2HD PRO 57 -6.464 -13.280 -9.433 445 H CYS 58 H CYS 58 -1.042 -12.922 -7.374 446 HA CYS 58 HA CYS 58 -0.717 -10.142 -8.141 447 1HB CYS 58 1HB CYS 58 -0.111 -11.099 -5.324 448 2HB CYS 58 2HB CYS 58 0.221 -9.504 -5.970 449 HG CYS 58 HG CYS 58 -1.844 -9.216 -4.490 450 H GLN 59 H GLN 59 1.585 -9.599 -8.412 451 HA GLN 59 HA GLN 59 3.430 -11.773 -8.033 452 1HB GLN 59 1HB GLN 59 2.671 -12.308 -10.257 453 2HB GLN 59 2HB GLN 59 2.728 -10.631 -10.763 454 1HG GLN 59 1HG GLN 59 5.018 -10.654 -11.085 455 2HG GLN 59 2HG GLN 59 5.309 -11.730 -9.733 456 1HE2 GLN 59 1HE2 GLN 59 6.282 -13.474 -10.414 457 2HE2 GLN 59 2HE2 GLN 59 5.881 -14.429 -11.802 458 H VAL 60 H VAL 60 5.420 -10.995 -7.396 459 HA VAL 60 HA VAL 60 5.682 -8.165 -7.111 460 HB VAL 60 HB VAL 60 7.713 -10.341 -6.591 461 1HG1 VAL 60 1HG1 VAL 60 8.839 -8.311 -6.389 462 2HG1 VAL 60 2HG1 VAL 60 7.413 -7.466 -5.739 463 3HG1 VAL 60 3HG1 VAL 60 8.301 -8.625 -4.721 464 1HG2 VAL 60 1HG2 VAL 60 6.815 -10.254 -4.225 465 2HG2 VAL 60 2HG2 VAL 60 5.414 -9.367 -4.872 466 3HG2 VAL 60 3HG2 VAL 60 5.749 -11.026 -5.423 467 H THR 61 H THR 61 6.984 -6.742 -8.259 468 HA THR 61 HA THR 61 8.170 -7.876 -10.701 469 HB THR 61 HB THR 61 7.716 -5.676 -11.679 470 HG1 THR 61 1HG THR 61 6.966 -4.004 -10.204 471 1HG2 THR 61 1HG2 THR 61 5.211 -5.557 -10.224 472 2HG2 THR 61 2HG2 THR 61 5.487 -6.125 -11.888 473 3HG2 THR 61 3HG2 THR 61 5.610 -7.265 -10.526 474 H ASP 62 H ASP 62 8.780 -6.029 -7.740 475 HA ASP 62 HA ASP 62 11.560 -6.423 -8.173 476 1HB ASP 62 1HB ASP 62 10.357 -3.903 -8.903 477 2HB ASP 62 2HB ASP 62 11.310 -3.633 -7.458 478 H VAL 63 H VAL 63 12.558 -6.602 -6.114 479 HA VAL 63 HA VAL 63 11.489 -5.235 -3.847 480 HB VAL 63 HB VAL 63 9.854 -6.996 -3.976 481 1HG1 VAL 63 1HG1 VAL 63 12.089 -8.586 -4.849 482 2HG1 VAL 63 2HG1 VAL 63 11.323 -9.362 -3.442 483 3HG1 VAL 63 3HG1 VAL 63 10.352 -8.972 -4.882 484 1HG2 VAL 63 1HG2 VAL 63 9.876 -7.441 -1.758 485 2HG2 VAL 63 2HG2 VAL 63 11.514 -8.134 -1.802 486 3HG2 VAL 63 3HG2 VAL 63 11.296 -6.368 -1.757 487 H GLU 64 H GLU 64 13.405 -4.484 -3.090 488 HA GLU 64 HA GLU 64 15.341 -6.432 -2.315 489 1HB GLU 64 1HB GLU 64 15.976 -5.960 -4.687 490 2HB GLU 64 2HB GLU 64 16.112 -4.254 -4.309 491 1HG GLU 64 1HG GLU 64 18.216 -4.547 -3.518 492 2HG GLU 64 2HG GLU 64 17.656 -5.738 -2.361 493 H ARG 65 H ARG 65 15.421 -5.827 -0.181 494 HA ARG 65 HA ARG 65 15.661 -4.621 1.596 495 1HB ARG 65 1HB ARG 65 17.590 -3.558 -0.300 496 2HB ARG 65 2HB ARG 65 17.022 -2.244 0.711 497 1HG ARG 65 1HG ARG 65 17.390 -4.147 2.634 498 2HG ARG 65 2HG ARG 65 18.581 -4.692 1.470 499 1HD ARG 65 1HD ARG 65 18.549 -1.744 2.035 500 2HD ARG 65 2HD ARG 65 19.094 -2.773 3.345 501 HE ARG 65 HE ARG 65 20.375 -3.605 0.914 502 1HH1 ARG 65 2HH2 ARG 65 20.406 -0.963 3.238 503 2HH1 ARG 65 1HH2 ARG 65 22.060 -0.547 2.937 504 1HH2 ARG 65 2HH1 ARG 65 22.558 -3.056 0.515 505 2HH2 ARG 65 1HH1 ARG 65 23.292 -1.746 1.377 506 HA PRO 66 HA PRO 66 12.756 -1.366 1.710 507 1HB PRO 66 1HB PRO 66 13.531 0.206 3.807 508 2HB PRO 66 2HB PRO 66 12.690 -1.318 4.011 509 1HG PRO 66 1HG PRO 66 15.547 -0.703 4.457 510 2HG PRO 66 2HG PRO 66 14.612 -2.064 5.046 511 1HD PRO 66 1HD PRO 66 16.489 -2.081 2.877 512 2HD PRO 66 2HD PRO 66 15.469 -3.410 3.391 513 H ILE 67 H ILE 67 13.654 -0.784 -0.491 514 HA ILE 67 HA ILE 67 14.253 2.061 -0.307 515 HB ILE 67 HB ILE 67 15.961 1.708 -2.161 516 1HG1 ILE 67 1HG1 ILE 67 17.078 -0.705 -1.515 517 2HG1 ILE 67 2HG1 ILE 67 15.372 -1.095 -1.434 518 1HG2 ILE 67 1HG2 ILE 67 16.459 2.407 0.173 519 2HG2 ILE 67 2HG2 ILE 67 16.690 0.694 0.599 520 3HG2 ILE 67 3HG2 ILE 67 17.765 1.469 -0.590 521 1HD1 ILE 67 1HD1 ILE 67 16.121 0.574 -3.778 522 2HD1 ILE 67 2HD1 ILE 67 16.844 -1.052 -3.759 523 3HD1 ILE 67 3HD1 ILE 67 15.075 -0.864 -3.692 524 H LYS 68 H LYS 68 13.488 -0.811 -2.367 525 HA LYS 68 HA LYS 68 11.442 0.795 -3.652 526 1HB LYS 68 1HB LYS 68 13.327 1.207 -5.099 527 2HB LYS 68 2HB LYS 68 13.728 -0.497 -5.163 528 1HG LYS 68 1HG LYS 68 12.155 -0.928 -6.761 529 2HG LYS 68 2HG LYS 68 10.924 0.000 -5.926 530 1HD LYS 68 1HD LYS 68 11.755 2.095 -6.857 531 2HD LYS 68 2HD LYS 68 13.188 1.313 -7.493 532 1HE LYS 68 1HE LYS 68 12.000 0.222 -9.222 533 2HE LYS 68 2HE LYS 68 10.471 0.307 -8.369 534 1HZ LYS 68 1HZ LYS 68 10.505 1.901 -10.108 535 2HZ LYS 68 2HZ LYS 68 10.541 2.717 -8.694 536 3HZ LYS 68 3HZ LYS 68 11.901 2.566 -9.584 537 H LEU 69 H LEU 69 9.610 -0.361 -3.451 538 HA LEU 69 HA LEU 69 9.802 -3.245 -3.881 539 1HB LEU 69 1HB LEU 69 9.897 -2.943 -1.487 540 2HB LEU 69 2HB LEU 69 8.490 -1.899 -1.518 541 HG LEU 69 HG LEU 69 7.276 -3.981 -2.540 542 1HD1 LEU 69 1HD1 LEU 69 8.154 -6.129 -1.803 543 2HD1 LEU 69 2HD1 LEU 69 9.306 -5.317 -2.889 544 3HD1 LEU 69 3HD1 LEU 69 9.597 -5.331 -1.133 545 1HD2 LEU 69 1HD2 LEU 69 6.355 -4.365 -0.489 546 2HD2 LEU 69 2HD2 LEU 69 7.927 -4.381 0.346 547 3HD2 LEU 69 3HD2 LEU 69 7.198 -2.835 -0.150 548 H SER 70 H SER 70 8.289 -3.959 -5.301 549 HA SER 70 HA SER 70 5.891 -2.352 -5.564 550 1HB SER 70 1HB SER 70 7.687 -1.746 -7.328 551 2HB SER 70 2HB SER 70 7.415 -3.339 -8.004 552 HG SER 70 HG SER 70 5.031 -2.642 -8.002 553 H PHE 71 H PHE 71 4.050 -3.571 -6.425 554 HA PHE 71 HA PHE 71 4.444 -6.346 -7.044 555 1HB PHE 71 1HB PHE 71 3.220 -7.169 -5.104 556 2HB PHE 71 2HB PHE 71 4.406 -6.052 -4.458 557 HD1 PHE 71 1HD PHE 71 3.671 -3.723 -3.836 558 HD2 PHE 71 2HD PHE 71 0.905 -6.789 -4.813 559 HE1 PHE 71 1HE PHE 71 1.837 -2.425 -2.717 560 HE2 PHE 71 2HE PHE 71 -0.929 -5.491 -3.694 561 HZ PHE 71 HZ PHE 71 -0.441 -3.325 -2.659 562 H THR 72 H THR 72 2.806 -7.097 -8.370 563 HA THR 72 HA THR 72 0.761 -5.150 -9.058 564 HB THR 72 HB THR 72 0.512 -6.549 -11.042 565 HG1 THR 72 1HG THR 72 1.670 -8.662 -10.956 566 1HG2 THR 72 1HG2 THR 72 2.709 -5.267 -10.938 567 2HG2 THR 72 2HG2 THR 72 3.460 -6.717 -10.229 568 3HG2 THR 72 3HG2 THR 72 2.811 -6.770 -11.886 569 H TRP 73 H TRP 73 -1.486 -5.547 -9.050 570 HA TRP 73 HA TRP 73 -2.345 -7.935 -7.617 571 1HB TRP 73 1HB TRP 73 -1.998 -6.342 -5.842 572 2HB TRP 73 2HB TRP 73 -2.909 -5.113 -6.697 573 HD1 TRP 73 HD TRP 73 -4.329 -8.686 -6.553 574 HE1 TRP 73 1HE TRP 73 -6.523 -8.791 -5.090 575 HE3 TRP 73 3HE TRP 73 -3.996 -3.935 -4.771 576 HZ2 TRP 73 2HZ TRP 73 -7.843 -6.917 -3.390 577 HZ3 TRP 73 3HZ TRP 73 -5.778 -3.151 -3.215 578 HH2 TRP 73 HH TRP 73 -7.654 -4.557 -2.521 579 H ASP 74 H ASP 74 -4.224 -8.730 -8.531 580 HA ASP 74 HA ASP 74 -5.998 -8.872 -9.774 581 1HB ASP 74 1HB ASP 74 -6.014 -5.827 -9.992 582 2HB ASP 74 2HB ASP 74 -7.365 -6.895 -10.312 583 H THR 75 H THR 75 -6.636 -8.748 -12.127 584 HA THR 75 HA THR 75 -4.374 -7.851 -13.784 585 HB THR 75 HB THR 75 -5.186 -9.655 -15.341 586 HG1 THR 75 1HG THR 75 -7.149 -10.571 -14.809 587 1HG2 THR 75 1HG2 THR 75 -3.558 -10.577 -13.852 588 2HG2 THR 75 2HG2 THR 75 -4.616 -10.372 -12.436 589 3HG2 THR 75 3HG2 THR 75 -4.967 -11.643 -13.632 590 H ASP 76 H ASP 76 -6.109 -5.860 -12.945 591 HA ASP 76 HA ASP 76 -7.925 -5.563 -15.185 592 1HB ASP 76 1HB ASP 76 -8.957 -5.137 -13.038 593 2HB ASP 76 2HB ASP 76 -7.618 -4.136 -12.513 594 H GLY 77 H GLY 77 -5.251 -3.951 -13.340 595 1HA GLY 77 1HA GLY 77 -3.573 -3.016 -15.025 596 2HA GLY 77 2HA GLY 77 -4.917 -2.016 -15.540 597 H TRP 78 H TRP 78 -3.950 -3.107 -12.216 598 HA TRP 78 HA TRP 78 -3.537 -0.274 -11.552 599 1HB TRP 78 1HB TRP 78 -5.251 -2.321 -10.211 600 2HB TRP 78 2HB TRP 78 -4.416 -1.144 -9.217 601 HD1 TRP 78 HD TRP 78 -5.076 0.849 -12.136 602 HE1 TRP 78 1HE TRP 78 -7.316 2.243 -12.064 603 HE3 TRP 78 3HE TRP 78 -7.187 -1.752 -8.311 604 HZ2 TRP 78 2HZ TRP 78 -9.666 2.104 -10.451 605 HZ3 TRP 78 3HZ TRP 78 -9.456 -1.058 -7.548 606 HH2 TRP 78 HH TRP 78 -10.690 0.797 -8.553 607 H SER 79 H SER 79 -1.578 0.109 -10.560 608 HA SER 79 HA SER 79 -0.280 -2.153 -9.306 609 1HB SER 79 1HB SER 79 1.685 -0.568 -10.762 610 2HB SER 79 2HB SER 79 1.421 -2.301 -10.791 611 HG SER 79 HG SER 79 0.030 -2.121 -12.504 612 H VAL 80 H VAL 80 0.944 -1.556 -7.477 613 HA VAL 80 HA VAL 80 1.172 1.336 -7.012 614 HB VAL 80 HB VAL 80 -0.634 0.625 -5.678 615 1HG1 VAL 80 1HG1 VAL 80 -0.299 -1.804 -5.883 616 2HG1 VAL 80 2HG1 VAL 80 1.065 -1.713 -4.743 617 3HG1 VAL 80 3HG1 VAL 80 -0.582 -1.323 -4.192 618 1HG2 VAL 80 1HG2 VAL 80 0.944 2.052 -4.493 619 2HG2 VAL 80 2HG2 VAL 80 0.221 0.878 -3.367 620 3HG2 VAL 80 3HG2 VAL 80 1.877 0.630 -3.970 621 H THR 81 H THR 81 3.137 2.047 -6.198 622 HA THR 81 HA THR 81 5.133 -0.071 -5.729 623 HB THR 81 HB THR 81 5.676 2.704 -6.881 624 HG1 THR 81 1HG THR 81 5.462 1.536 -8.938 625 1HG2 THR 81 1HG2 THR 81 7.229 0.240 -6.347 626 2HG2 THR 81 2HG2 THR 81 7.332 0.763 -8.045 627 3HG2 THR 81 3HG2 THR 81 7.813 1.875 -6.741 628 H PHE 82 H PHE 82 6.436 0.062 -3.946 629 HA PHE 82 HA PHE 82 5.687 2.198 -2.090 630 1HB PHE 82 1HB PHE 82 6.937 -0.599 -1.826 631 2HB PHE 82 2HB PHE 82 6.773 0.483 -0.457 632 HD1 PHE 82 1HD PHE 82 4.061 1.622 -1.056 633 HD2 PHE 82 2HD PHE 82 5.515 -2.361 -1.232 634 HE1 PHE 82 1HE PHE 82 1.740 0.757 -0.651 635 HE2 PHE 82 2HE PHE 82 3.194 -3.226 -0.827 636 HZ PHE 82 HZ PHE 82 1.334 -1.657 -0.542 637 H HIS 83 H HIS 83 7.357 3.240 -0.802 638 HA HIS 83 HA HIS 83 10.073 2.816 -1.727 639 1HB HIS 83 1HB HIS 83 8.575 5.433 -1.962 640 2HB HIS 83 2HB HIS 83 10.325 5.349 -1.928 641 HD1 HIS 83 1HD HIS 83 11.540 4.514 -4.048 642 HD2 HIS 83 2HD HIS 83 7.357 4.348 -4.320 643 HE1 HIS 83 1HE HIS 83 11.000 4.054 -6.499 644 H LEU 84 H LEU 84 11.326 2.588 0.051 645 HA LEU 84 HA LEU 84 10.405 3.951 2.485 646 1HB LEU 84 1HB LEU 84 11.748 1.291 2.064 647 2HB LEU 84 2HB LEU 84 11.773 2.105 3.615 648 HG LEU 84 HG LEU 84 9.076 2.134 2.888 649 1HD1 LEU 84 1HD1 LEU 84 9.905 0.422 1.109 650 2HD1 LEU 84 2HD1 LEU 84 9.983 -0.702 2.487 651 3HD1 LEU 84 3HD1 LEU 84 8.439 0.073 2.057 652 1HD2 LEU 84 1HD2 LEU 84 10.685 0.398 4.766 653 2HD2 LEU 84 2HD2 LEU 84 9.734 1.856 5.137 654 3HD2 LEU 84 3HD2 LEU 84 8.908 0.346 4.684 655 H LYS 85 H LYS 85 12.106 4.768 3.934 656 HA LYS 85 HA LYS 85 14.790 4.838 3.154 657 1HB LYS 85 1HB LYS 85 14.899 7.276 2.515 658 2HB LYS 85 2HB LYS 85 14.231 6.200 1.305 659 1HG LYS 85 1HG LYS 85 11.944 6.887 2.683 660 2HG LYS 85 2HG LYS 85 12.888 8.350 2.882 661 1HD LYS 85 1HD LYS 85 12.860 7.180 0.122 662 2HD LYS 85 2HD LYS 85 11.338 7.842 0.687 663 1HE LYS 85 1HE LYS 85 12.392 10.017 1.157 664 2HE LYS 85 2HE LYS 85 13.980 9.373 0.789 665 1HZ LYS 85 1HZ LYS 85 12.319 10.539 -0.973 666 2HZ LYS 85 2HZ LYS 85 13.610 9.619 -1.364 667 3HZ LYS 85 3HZ LYS 85 12.119 8.954 -1.314 668 H GLU 86 H GLU 86 15.656 4.806 5.153 669 HA GLU 86 HA GLU 86 14.227 5.742 7.361 670 1HB GLU 86 1HB GLU 86 16.134 3.939 7.158 671 2HB GLU 86 2HB GLU 86 17.224 5.294 7.373 672 1HG GLU 86 1HG GLU 86 14.976 5.273 9.311 673 2HG GLU 86 2HG GLU 86 16.009 3.862 9.429 674 H GLU 87 H GLU 87 14.404 7.646 8.593 675 HA GLU 87 HA GLU 87 16.025 9.705 7.313 676 1HB GLU 87 1HB GLU 87 13.274 9.675 7.882 677 2HB GLU 87 2HB GLU 87 13.947 10.671 9.158 678 1HG GLU 87 1HG GLU 87 15.116 11.277 6.509 679 2HG GLU 87 2HG GLU 87 13.379 11.511 6.547 680 H GLU 88 H GLU 88 15.956 11.647 9.371 681 HA GLU 88 HA GLU 88 18.095 11.110 10.828 682 1HB GLU 88 1HB GLU 88 15.686 12.840 11.326 683 2HB GLU 88 2HB GLU 88 16.841 12.667 12.633 684 1HG GLU 88 1HG GLU 88 18.415 13.089 10.303 685 2HG GLU 88 2HG GLU 88 17.076 14.210 10.159 686 H ASN 89 H ASN 89 14.796 10.905 12.357 687 HA ASN 89 HA ASN 89 15.752 8.525 13.722 688 1HB ASN 89 1HB ASN 89 14.679 11.082 14.922 689 2HB ASN 89 2HB ASN 89 14.197 9.579 15.684 690 1HD2 ASN 89 1HD2 ASN 89 15.730 11.510 16.946 691 2HD2 ASN 89 2HD2 ASN 89 17.318 10.899 17.267 692 H GLY 90 H GLY 90 14.257 8.081 11.569 693 1HA GLY 90 1HA GLY 90 11.868 6.941 12.445 694 2HA GLY 90 2HA GLY 90 11.474 8.505 11.760 695 H THR 91 H THR 91 10.448 6.292 10.494 696 HA THR 91 HA THR 91 12.219 5.924 8.169 697 HB THR 91 HB THR 91 9.953 4.195 9.298 698 HG1 THR 91 1HG THR 91 12.099 4.314 10.421 699 1HG2 THR 91 1HG2 THR 91 10.249 2.738 7.518 700 2HG2 THR 91 2HG2 THR 91 10.731 4.223 6.663 701 3HG2 THR 91 3HG2 THR 91 11.973 3.148 7.348 702 H ILE 92 H ILE 92 11.607 6.602 6.184 703 HA ILE 92 HA ILE 92 9.060 8.025 6.099 704 HB ILE 92 HB ILE 92 11.466 8.124 4.276 705 1HG1 ILE 92 1HG1 ILE 92 12.086 9.078 6.359 706 2HG1 ILE 92 2HG1 ILE 92 11.740 10.412 5.276 707 1HG2 ILE 92 1HG2 ILE 92 9.993 10.397 3.818 708 2HG2 ILE 92 2HG2 ILE 92 10.015 8.945 2.788 709 3HG2 ILE 92 3HG2 ILE 92 8.734 9.154 4.006 710 1HD1 ILE 92 1HD1 ILE 92 10.249 9.495 7.700 711 2HD1 ILE 92 2HD1 ILE 92 10.484 11.140 7.064 712 3HD1 ILE 92 3HD1 ILE 92 9.256 10.074 6.340 713 H PHE 93 H PHE 93 7.324 7.128 5.131 714 HA PHE 93 HA PHE 93 7.872 4.947 3.242 715 1HB PHE 93 1HB PHE 93 6.738 4.442 5.507 716 2HB PHE 93 2HB PHE 93 5.433 5.512 5.034 717 HD1 PHE 93 1HD PHE 93 3.991 4.895 3.080 718 HD2 PHE 93 2HD PHE 93 6.834 2.205 4.718 719 HE1 PHE 93 1HE PHE 93 2.828 2.979 1.951 720 HE2 PHE 93 2HE PHE 93 5.671 0.289 3.589 721 HZ PHE 93 HZ PHE 93 3.682 0.698 2.219 722 H THR 94 H THR 94 7.283 5.337 1.163 723 HA THR 94 HA THR 94 5.106 7.273 0.732 724 HB THR 94 HB THR 94 7.763 6.977 -0.768 725 HG1 THR 94 1HG THR 94 8.247 8.687 0.566 726 1HG2 THR 94 1HG2 THR 94 6.784 9.300 -1.667 727 2HG2 THR 94 2HG2 THR 94 6.341 7.775 -2.473 728 3HG2 THR 94 3HG2 THR 94 5.218 8.529 -1.315 729 H ILE 95 H ILE 95 3.514 6.692 -0.658 730 HA ILE 95 HA ILE 95 3.929 4.119 -2.016 731 HB ILE 95 HB ILE 95 2.388 3.621 -0.389 732 1HG1 ILE 95 1HG1 ILE 95 1.603 3.361 -2.891 733 2HG1 ILE 95 2HG1 ILE 95 0.540 2.956 -1.557 734 1HG2 ILE 95 1HG2 ILE 95 2.099 5.818 0.569 735 2HG2 ILE 95 2HG2 ILE 95 1.124 6.340 -0.825 736 3HG2 ILE 95 3HG2 ILE 95 0.504 5.085 0.275 737 1HD1 ILE 95 1HD1 ILE 95 -0.473 4.422 -3.410 738 2HD1 ILE 95 2HD1 ILE 95 -0.672 5.023 -1.746 739 3HD1 ILE 95 3HD1 ILE 95 0.569 5.733 -2.806 740 H VAL 96 H VAL 96 3.091 3.900 -4.152 741 HA VAL 96 HA VAL 96 2.107 6.378 -5.350 742 HB VAL 96 HB VAL 96 4.382 4.694 -6.418 743 1HG1 VAL 96 1HG1 VAL 96 3.539 7.328 -7.590 744 2HG1 VAL 96 2HG1 VAL 96 4.388 5.961 -8.350 745 3HG1 VAL 96 3HG1 VAL 96 2.642 5.852 -8.020 746 1HG2 VAL 96 1HG2 VAL 96 5.683 6.845 -6.132 747 2HG2 VAL 96 2HG2 VAL 96 4.317 7.455 -5.168 748 3HG2 VAL 96 3HG2 VAL 96 5.222 6.024 -4.622 749 H HIS 97 H HIS 97 0.070 5.777 -5.923 750 HA HIS 97 HA HIS 97 -0.167 3.173 -7.247 751 1HB HIS 97 1HB HIS 97 -1.338 3.299 -5.083 752 2HB HIS 97 2HB HIS 97 -2.246 4.689 -5.643 753 HD1 HIS 97 1HD HIS 97 -4.588 3.777 -5.803 754 HD2 HIS 97 2HD HIS 97 -1.767 1.297 -7.673 755 HE1 HIS 97 1HE HIS 97 -5.916 1.949 -6.989 756 H SER 98 H SER 98 -0.643 3.235 -9.386 757 HA SER 98 HA SER 98 -2.067 5.591 -10.322 758 1HB SER 98 1HB SER 98 0.301 4.320 -11.764 759 2HB SER 98 2HB SER 98 -0.617 5.708 -12.314 760 HG SER 98 HG SER 98 1.075 5.536 -9.973 761 H GLY 99 H GLY 99 -2.804 5.123 -12.767 762 1HA GLY 99 1HA GLY 99 -3.274 3.274 -14.299 763 2HA GLY 99 2HA GLY 99 -3.682 2.299 -12.901 764 H TRP 100 H TRP 100 -4.488 5.768 -13.569 765 HA TRP 100 HA TRP 100 -7.319 4.968 -13.549 766 1HB TRP 100 1HB TRP 100 -6.243 7.578 -12.489 767 2HB TRP 100 2HB TRP 100 -7.873 6.947 -12.357 768 HD1 TRP 100 HD TRP 100 -4.333 5.751 -11.166 769 HE1 TRP 100 1HE TRP 100 -4.484 4.710 -8.746 770 HE3 TRP 100 3HE TRP 100 -9.364 6.301 -10.674 771 HZ2 TRP 100 2HZ TRP 100 -6.642 4.243 -6.938 772 HZ3 TRP 100 3HZ TRP 100 -10.414 5.526 -8.550 773 HH2 TRP 100 HH TRP 100 -9.139 4.527 -6.720 774 H LYS 101 H LYS 101 -8.591 7.094 -14.507 775 HA LYS 101 HA LYS 101 -7.086 7.948 -16.876 776 1HB LYS 101 1HB LYS 101 -10.000 7.121 -16.902 777 2HB LYS 101 2HB LYS 101 -9.008 7.574 -18.274 778 1HG LYS 101 1HG LYS 101 -7.549 5.605 -17.917 779 2HG LYS 101 2HG LYS 101 -8.437 5.176 -16.469 780 1HD LYS 101 1HD LYS 101 -9.944 4.024 -17.706 781 2HD LYS 101 2HD LYS 101 -10.365 5.482 -18.581 782 1HE LYS 101 1HE LYS 101 -9.263 4.774 -20.438 783 2HE LYS 101 2HE LYS 101 -7.791 4.496 -19.528 784 1HZ LYS 101 1HZ LYS 101 -8.193 2.351 -19.629 785 2HZ LYS 101 2HZ LYS 101 -9.634 2.515 -18.877 786 3HZ LYS 101 3HZ LYS 101 -9.547 2.609 -20.505 787 H GLN 102 H GLN 102 -9.185 9.567 -17.946 788 HA GLN 102 HA GLN 102 -8.735 11.886 -16.580 789 1HB GLN 102 1HB GLN 102 -9.462 11.912 -18.889 790 2HB GLN 102 2HB GLN 102 -10.961 11.093 -18.498 791 1HG GLN 102 1HG GLN 102 -11.503 13.118 -16.975 792 2HG GLN 102 2HG GLN 102 -10.149 13.930 -17.736 793 1HE2 GLN 102 1HE2 GLN 102 -13.302 12.488 -18.213 794 2HE2 GLN 102 2HE2 GLN 102 -13.693 13.244 -19.721 795 H GLY 103 H GLY 103 -9.823 13.071 -14.975 796 1HA GLY 103 1HA GLY 103 -11.402 11.584 -13.142 797 2HA GLY 103 2HA GLY 103 -11.022 13.294 -13.080 798 H ASP 104 H ASP 104 -13.190 10.854 -14.608 799 HA ASP 104 HA ASP 104 -15.434 12.394 -14.212 800 1HB ASP 104 1HB ASP 104 -14.046 13.491 -16.296 801 2HB ASP 104 2HB ASP 104 -14.966 12.285 -17.174 802 H THR 105 H THR 105 -13.708 10.127 -16.447 803 HA THR 105 HA THR 105 -15.833 8.657 -17.385 804 HB THR 105 HB THR 105 -14.046 6.856 -17.618 805 HG1 THR 105 1HG THR 105 -12.665 7.125 -15.880 806 1HG2 THR 105 1HG2 THR 105 -12.222 8.745 -18.481 807 2HG2 THR 105 2HG2 THR 105 -13.617 8.205 -19.446 808 3HG2 THR 105 3HG2 THR 105 -13.726 9.697 -18.482 809 H LYS 106 H LYS 106 -16.317 6.288 -16.805 810 HA LYS 106 HA LYS 106 -16.586 6.128 -13.883 811 1HB LYS 106 1HB LYS 106 -18.738 6.676 -14.809 812 2HB LYS 106 2HB LYS 106 -18.600 5.434 -16.036 813 1HG LYS 106 1HG LYS 106 -18.885 3.669 -14.478 814 2HG LYS 106 2HG LYS 106 -18.398 4.656 -13.115 815 1HD LYS 106 1HD LYS 106 -20.618 4.942 -12.702 816 2HD LYS 106 2HD LYS 106 -20.626 6.035 -14.071 817 1HE LYS 106 1HE LYS 106 -20.821 3.147 -14.792 818 2HE LYS 106 2HE LYS 106 -22.183 3.763 -13.878 819 1HZ LYS 106 1HZ LYS 106 -21.827 4.069 -16.514 820 2HZ LYS 106 2HZ LYS 106 -22.836 4.970 -15.600 821 3HZ LYS 106 3HZ LYS 106 -21.340 5.522 -15.950 822 H VAL 107 H VAL 107 -16.518 3.967 -12.970 823 HA VAL 107 HA VAL 107 -14.948 2.180 -14.679 824 HB VAL 107 HB VAL 107 -15.258 2.164 -11.674 825 1HG1 VAL 107 1HG1 VAL 107 -14.420 0.079 -12.206 826 2HG1 VAL 107 2HG1 VAL 107 -13.558 0.670 -13.647 827 3HG1 VAL 107 3HG1 VAL 107 -12.915 1.011 -12.023 828 1HG2 VAL 107 1HG2 VAL 107 -13.243 3.423 -11.473 829 2HG2 VAL 107 2HG2 VAL 107 -12.943 3.353 -13.226 830 3HG2 VAL 107 3HG2 VAL 107 -14.297 4.320 -12.593 831 H GLU 108 H GLU 108 -16.463 0.988 -15.819 832 HA GLU 108 HA GLU 108 -18.916 0.256 -14.969 833 1HB GLU 108 1HB GLU 108 -18.703 -1.651 -16.620 834 2HB GLU 108 2HB GLU 108 -18.255 -0.083 -17.263 835 1HG GLU 108 1HG GLU 108 -15.813 -0.699 -16.566 836 2HG GLU 108 2HG GLU 108 -16.409 -2.337 -16.385 837 H LYS 109 H LYS 109 -15.793 -0.978 -13.927 838 HA LYS 109 HA LYS 109 -17.083 -3.257 -12.631 839 1HB LYS 109 1HB LYS 109 -15.022 -3.561 -14.061 840 2HB LYS 109 2HB LYS 109 -14.126 -2.646 -12.865 841 1HG LYS 109 1HG LYS 109 -14.107 -4.377 -11.363 842 2HG LYS 109 2HG LYS 109 -15.781 -4.795 -11.673 843 1HD LYS 109 1HD LYS 109 -13.968 -5.373 -13.955 844 2HD LYS 109 2HD LYS 109 -13.578 -6.275 -12.504 845 1HE LYS 109 1HE LYS 109 -15.481 -7.554 -12.629 846 2HE LYS 109 2HE LYS 109 -16.487 -6.194 -13.082 847 1HZ LYS 109 1HZ LYS 109 -15.734 -8.118 -14.745 848 2HZ LYS 109 2HZ LYS 109 -16.190 -6.627 -15.230 849 3HZ LYS 109 3HZ LYS 109 -14.604 -6.988 -15.085 850 H ALA 110 H ALA 110 -17.937 -0.829 -11.621 851 HA ALA 110 HA ALA 110 -17.005 -1.052 -8.927 852 1HB ALA 110 1HB ALA 110 -15.330 0.477 -10.184 853 2HB ALA 110 2HB ALA 110 -16.658 1.661 -10.228 854 3HB ALA 110 3HB ALA 110 -16.032 1.083 -8.666 855 H GLY 111 H GLY 111 -18.510 1.539 -10.989 856 1HA GLY 111 1HA GLY 111 -20.983 1.484 -11.087 857 2HA GLY 111 2HA GLY 111 -20.957 1.223 -9.354 858 H ALA 112 H ALA 112 -18.566 3.033 -8.957 859 HA ALA 112 HA ALA 112 -20.053 5.550 -9.178 860 1HB ALA 112 1HB ALA 112 -17.814 5.831 -7.468 861 2HB ALA 112 2HB ALA 112 -19.527 5.709 -6.999 862 3HB ALA 112 3HB ALA 112 -18.522 4.243 -7.091 863 H GLU 113 H GLU 113 -18.841 7.510 -9.761 864 HA GLU 113 HA GLU 113 -17.358 7.144 -12.039 865 1HB GLU 113 1HB GLU 113 -17.625 9.513 -10.149 866 2HB GLU 113 2HB GLU 113 -16.716 9.617 -11.644 867 1HG GLU 113 1HG GLU 113 -18.816 8.760 -12.855 868 2HG GLU 113 2HG GLU 113 -19.681 8.961 -11.344 869 H SER 114 H SER 114 -15.064 7.615 -12.505 870 HA SER 114 HA SER 114 -13.384 6.251 -10.800 871 1HB SER 114 1HB SER 114 -13.142 7.846 -13.284 872 2HB SER 114 2HB SER 114 -11.684 7.854 -12.311 873 HG SER 114 HG SER 114 -11.310 5.963 -13.252 874 H ALA 115 H ALA 115 -14.451 9.606 -10.860 875 HA ALA 115 HA ALA 115 -12.257 10.657 -9.382 876 1HB ALA 115 1HB ALA 115 -13.695 12.650 -9.224 877 2HB ALA 115 2HB ALA 115 -13.686 12.010 -10.885 878 3HB ALA 115 3HB ALA 115 -15.082 11.708 -9.823 879 H VAL 116 H VAL 116 -15.520 9.335 -8.628 880 HA VAL 116 HA VAL 116 -15.456 10.030 -5.903 881 HB VAL 116 HB VAL 116 -16.970 7.946 -7.481 882 1HG1 VAL 116 1HG1 VAL 116 -17.506 7.009 -5.517 883 2HG1 VAL 116 2HG1 VAL 116 -16.782 8.344 -4.588 884 3HG1 VAL 116 3HG1 VAL 116 -18.450 8.483 -5.194 885 1HG2 VAL 116 1HG2 VAL 116 -18.512 10.133 -6.353 886 2HG2 VAL 116 2HG2 VAL 116 -17.192 10.740 -7.383 887 3HG2 VAL 116 3HG2 VAL 116 -18.378 9.587 -8.042 888 H VAL 117 H VAL 117 -14.450 7.106 -7.763 889 HA VAL 117 HA VAL 117 -13.767 5.630 -5.446 890 HB VAL 117 HB VAL 117 -13.114 5.387 -8.381 891 1HG1 VAL 117 1HG1 VAL 117 -12.484 3.346 -6.224 892 2HG1 VAL 117 2HG1 VAL 117 -12.141 3.219 -7.967 893 3HG1 VAL 117 3HG1 VAL 117 -11.282 4.422 -6.976 894 1HG2 VAL 117 1HG2 VAL 117 -15.127 4.158 -6.514 895 2HG2 VAL 117 2HG2 VAL 117 -15.359 4.855 -8.135 896 3HG2 VAL 117 3HG2 VAL 117 -14.584 3.263 -7.953 897 H HIS 118 H HIS 118 -12.070 7.926 -7.605 898 HA HIS 118 HA HIS 118 -9.486 7.375 -6.820 899 1HB HIS 118 1HB HIS 118 -9.445 8.787 -8.575 900 2HB HIS 118 2HB HIS 118 -10.936 9.586 -8.116 901 HD1 HIS 118 1HD HIS 118 -7.254 9.549 -7.047 902 HD2 HIS 118 2HD HIS 118 -10.581 12.103 -7.093 903 HE1 HIS 118 1HE HIS 118 -6.421 11.823 -6.244 904 H GLU 119 H GLU 119 -11.845 9.770 -5.447 905 HA GLU 119 HA GLU 119 -10.114 10.585 -3.426 906 1HB GLU 119 1HB GLU 119 -13.005 10.909 -4.088 907 2HB GLU 119 2HB GLU 119 -12.597 11.134 -2.399 908 1HG GLU 119 1HG GLU 119 -10.582 12.586 -3.525 909 2HG GLU 119 2HG GLU 119 -11.787 12.763 -4.785 910 H ARG 120 H ARG 120 -12.697 8.072 -3.591 911 HA ARG 120 HA ARG 120 -12.784 7.458 -0.937 912 1HB ARG 120 1HB ARG 120 -13.485 6.128 -3.497 913 2HB ARG 120 2HB ARG 120 -13.139 4.990 -2.210 914 1HG ARG 120 1HG ARG 120 -14.724 6.501 -0.748 915 2HG ARG 120 2HG ARG 120 -15.268 7.155 -2.280 916 1HD ARG 120 1HD ARG 120 -15.195 4.261 -2.489 917 2HD ARG 120 2HD ARG 120 -16.066 4.693 -1.031 918 HE ARG 120 HE ARG 120 -17.014 5.032 -3.719 919 1HH1 ARG 120 2HH2 ARG 120 -16.996 6.685 -0.612 920 2HH1 ARG 120 1HH2 ARG 120 -18.469 7.545 -0.917 921 1HH2 ARG 120 2HH1 ARG 120 -18.957 6.166 -4.121 922 2HH2 ARG 120 1HH1 ARG 120 -19.592 7.248 -2.926 923 H MET 121 H MET 121 -10.975 5.617 -3.518 924 HA MET 121 HA MET 121 -9.577 4.030 -1.776 925 1HB MET 121 1HB MET 121 -9.567 4.742 -4.619 926 2HB MET 121 2HB MET 121 -7.916 4.558 -4.061 927 1HG MET 121 1HG MET 121 -9.078 2.357 -2.883 928 2HG MET 121 2HG MET 121 -10.070 2.502 -4.320 929 1HE MET 121 1HE MET 121 -7.220 -0.260 -4.756 930 2HE MET 121 2HE MET 121 -8.532 0.158 -3.628 931 3HE MET 121 3HE MET 121 -8.873 -0.013 -5.367 932 H ASP 122 H ASP 122 -8.732 7.253 -3.173 933 HA ASP 122 HA ASP 122 -6.156 7.418 -2.386 934 1HB ASP 122 1HB ASP 122 -7.212 9.168 -3.707 935 2HB ASP 122 2HB ASP 122 -8.355 9.528 -2.429 936 H ARG 123 H ARG 123 -9.127 8.480 -0.552 937 HA ARG 123 HA ARG 123 -7.798 9.259 1.717 938 1HB ARG 123 1HB ARG 123 -10.628 8.181 1.311 939 2HB ARG 123 2HB ARG 123 -10.087 8.846 2.838 940 1HG ARG 123 1HG ARG 123 -9.391 10.647 0.637 941 2HG ARG 123 2HG ARG 123 -11.104 10.282 0.609 942 1HD ARG 123 1HD ARG 123 -11.478 11.622 2.407 943 2HD ARG 123 2HD ARG 123 -10.292 10.752 3.360 944 HE ARG 123 HE ARG 123 -9.123 12.614 1.406 945 1HH1 ARG 123 2HH2 ARG 123 -10.309 12.210 4.694 946 2HH1 ARG 123 1HH2 ARG 123 -9.416 13.557 5.318 947 1HH2 ARG 123 2HH1 ARG 123 -7.945 14.390 2.228 948 2HH2 ARG 123 1HH1 ARG 123 -8.062 14.805 3.906 949 H GLY 124 H GLY 124 -9.473 6.120 0.951 950 1HA GLY 124 1HA GLY 124 -8.986 4.785 3.323 951 2HA GLY 124 2HA GLY 124 -9.179 4.040 1.748 952 H TRP 125 H TRP 125 -6.900 5.152 0.386 953 HA TRP 125 HA TRP 125 -4.932 3.343 1.178 954 1HB TRP 125 1HB TRP 125 -5.258 5.459 -0.833 955 2HB TRP 125 2HB TRP 125 -3.600 5.215 -0.320 956 HD1 TRP 125 HD TRP 125 -6.112 3.785 -2.666 957 HE1 TRP 125 1HE TRP 125 -5.326 1.525 -3.779 958 HE3 TRP 125 3HE TRP 125 -2.197 2.984 0.480 959 HZ2 TRP 125 2HZ TRP 125 -3.204 -0.303 -3.232 960 HZ3 TRP 125 3HZ TRP 125 -0.819 0.938 0.121 961 HH2 TRP 125 HH TRP 125 -1.269 -0.676 -1.658 962 H HIS 126 H HIS 126 -5.074 6.974 1.447 963 HA HIS 126 HA HIS 126 -2.756 7.222 2.931 964 1HB HIS 126 1HB HIS 126 -4.386 8.951 1.749 965 2HB HIS 126 2HB HIS 126 -5.052 9.096 3.363 966 HD1 HIS 126 1HD HIS 126 -1.342 8.603 2.670 967 HD2 HIS 126 2HD HIS 126 -3.990 11.599 3.938 968 HE1 HIS 126 1HE HIS 126 0.106 10.555 3.447 969 H ASP 127 H ASP 127 -6.210 7.036 4.044 970 HA ASP 127 HA ASP 127 -5.718 7.221 6.706 971 1HB ASP 127 1HB ASP 127 -7.974 7.171 5.624 972 2HB ASP 127 2HB ASP 127 -7.778 5.462 5.291 973 H LEU 128 H LEU 128 -5.440 4.445 4.446 974 HA LEU 128 HA LEU 128 -5.133 2.475 6.460 975 1HB LEU 128 1HB LEU 128 -5.912 1.688 4.433 976 2HB LEU 128 2HB LEU 128 -4.761 2.619 3.496 977 HG LEU 128 HG LEU 128 -2.997 1.040 4.692 978 1HD1 LEU 128 1HD1 LEU 128 -3.735 -1.101 5.284 979 2HD1 LEU 128 2HD1 LEU 128 -4.898 0.000 6.060 980 3HD1 LEU 128 3HD1 LEU 128 -5.342 -0.851 4.562 981 1HD2 LEU 128 1HD2 LEU 128 -3.305 1.237 2.283 982 2HD2 LEU 128 2HD2 LEU 128 -3.112 -0.467 2.759 983 3HD2 LEU 128 3HD2 LEU 128 -4.726 0.168 2.360 984 H VAL 129 H VAL 129 -2.877 4.456 4.457 985 HA VAL 129 HA VAL 129 -0.657 3.333 5.987 986 HB VAL 129 HB VAL 129 -0.596 3.370 3.507 987 1HG1 VAL 129 1HG1 VAL 129 -1.359 6.130 3.924 988 2HG1 VAL 129 2HG1 VAL 129 0.142 6.034 2.972 989 3HG1 VAL 129 3HG1 VAL 129 -1.318 5.180 2.420 990 1HG2 VAL 129 1HG2 VAL 129 1.664 4.961 3.640 991 2HG2 VAL 129 2HG2 VAL 129 1.427 4.455 5.330 992 3HG2 VAL 129 3HG2 VAL 129 1.577 3.230 4.047 993 H ASN 130 H ASN 130 -2.614 5.039 7.311 994 HA ASN 130 HA ASN 130 -0.910 7.365 7.749 995 1HB ASN 130 1HB ASN 130 -3.852 7.076 7.413 996 2HB ASN 130 2HB ASN 130 -3.412 8.023 8.821 997 1HD2 ASN 130 1HD2 ASN 130 -1.148 9.289 8.102 998 2HD2 ASN 130 2HD2 ASN 130 -1.410 10.376 6.779 999 H GLU 131 H GLU 131 -3.423 5.172 9.220 1000 HA GLU 131 HA GLU 131 -1.959 5.428 11.732 1001 1HB GLU 131 1HB GLU 131 -4.934 4.834 11.474 1002 2HB GLU 131 2HB GLU 131 -4.052 5.207 12.942 1003 1HG GLU 131 1HG GLU 131 -3.591 7.327 11.013 1004 2HG GLU 131 2HG GLU 131 -5.316 7.039 11.132 1005 H ARG 132 H ARG 132 -4.321 3.275 9.984 1006 HA ARG 132 HA ARG 132 -4.062 1.029 11.304 1007 1HB ARG 132 1HB ARG 132 -4.030 1.438 8.280 1008 2HB ARG 132 2HB ARG 132 -4.169 -0.160 8.987 1009 1HG ARG 132 1HG ARG 132 -6.034 1.808 10.186 1010 2HG ARG 132 2HG ARG 132 -6.292 1.575 8.468 1011 1HD ARG 132 1HD ARG 132 -7.475 -0.291 9.030 1012 2HD ARG 132 2HD ARG 132 -5.933 -1.044 9.384 1013 HE ARG 132 HE ARG 132 -6.431 -0.913 11.663 1014 1HH1 ARG 132 2HH2 ARG 132 -8.451 1.386 9.925 1015 2HH1 ARG 132 1HH2 ARG 132 -9.380 1.820 11.321 1016 1HH2 ARG 132 2HH1 ARG 132 -7.656 -0.340 13.505 1017 2HH2 ARG 132 1HH1 ARG 132 -8.924 0.832 13.371 1018 H LEU 133 H LEU 133 -1.810 1.943 8.583 1019 HA LEU 133 HA LEU 133 -0.046 -0.194 9.078 1020 1HB LEU 133 1HB LEU 133 -0.196 0.802 6.916 1021 2HB LEU 133 2HB LEU 133 0.208 2.388 7.542 1022 HG LEU 133 HG LEU 133 2.483 1.640 8.058 1023 1HD1 LEU 133 1HD1 LEU 133 1.333 -0.972 7.768 1024 2HD1 LEU 133 2HD1 LEU 133 2.692 -0.794 6.632 1025 3HD1 LEU 133 3HD1 LEU 133 2.941 -0.505 8.371 1026 1HD2 LEU 133 1HD2 LEU 133 2.887 0.836 5.459 1027 2HD2 LEU 133 2HD2 LEU 133 1.331 1.694 5.364 1028 3HD2 LEU 133 3HD2 LEU 133 2.763 2.520 6.023 1029 H ARG 134 H ARG 134 -0.326 3.150 10.301 1030 HA ARG 134 HA ARG 134 2.206 3.324 11.369 1031 1HB ARG 134 1HB ARG 134 0.382 5.154 11.108 1032 2HB ARG 134 2HB ARG 134 -0.299 4.554 12.607 1033 1HG ARG 134 1HG ARG 134 2.545 4.893 12.995 1034 2HG ARG 134 2HG ARG 134 1.924 6.355 12.254 1035 1HD ARG 134 1HD ARG 134 0.208 5.277 14.438 1036 2HD ARG 134 2HD ARG 134 1.801 5.784 14.964 1037 HE ARG 134 HE ARG 134 1.050 7.911 13.418 1038 1HH1 ARG 134 2HH2 ARG 134 -0.638 6.161 15.962 1039 2HH1 ARG 134 1HH2 ARG 134 -1.567 7.534 16.466 1040 1HH2 ARG 134 2HH1 ARG 134 -0.175 9.722 14.083 1041 2HH2 ARG 134 1HH1 ARG 134 -1.301 9.573 15.390 1042 H GLN 135 H GLN 135 -0.782 1.745 12.502 1043 HA GLN 135 HA GLN 135 0.105 1.440 15.162 1044 1HB GLN 135 1HB GLN 135 -2.241 0.705 13.540 1045 2HB GLN 135 2HB GLN 135 -1.825 -0.540 14.701 1046 1HG GLN 135 1HG GLN 135 -1.610 2.073 15.969 1047 2HG GLN 135 2HG GLN 135 -3.177 1.929 15.200 1048 1HE2 GLN 135 1HE2 GLN 135 -1.771 1.625 18.024 1049 2HE2 GLN 135 2HE2 GLN 135 -2.628 0.307 18.750 1050 H ILE 136 H ILE 136 0.470 -0.361 12.127 1051 HA ILE 136 HA ILE 136 1.109 -2.855 13.170 1052 HB ILE 136 HB ILE 136 2.010 -1.466 10.645 1053 1HG1 ILE 136 1HG1 ILE 136 -0.327 -1.605 10.564 1054 2HG1 ILE 136 2HG1 ILE 136 0.228 -2.996 9.655 1055 1HG2 ILE 136 1HG2 ILE 136 2.568 -3.673 9.783 1056 2HG2 ILE 136 2HG2 ILE 136 3.533 -3.302 11.232 1057 3HG2 ILE 136 3HG2 ILE 136 2.146 -4.412 11.347 1058 1HD1 ILE 136 1HD1 ILE 136 -1.426 -3.931 11.044 1059 2HD1 ILE 136 2HD1 ILE 136 0.063 -4.270 11.958 1060 3HD1 ILE 136 3HD1 ILE 136 -0.979 -2.907 12.430 1061 H VAL 137 H VAL 137 2.776 0.187 13.349 1062 HA VAL 137 HA VAL 137 5.221 -1.232 14.150 1063 HB VAL 137 HB VAL 137 6.350 0.931 13.678 1064 1HG1 VAL 137 1HG1 VAL 137 5.275 -0.981 11.792 1065 2HG1 VAL 137 2HG1 VAL 137 5.448 0.617 11.026 1066 3HG1 VAL 137 3HG1 VAL 137 6.853 -0.158 11.797 1067 1HG2 VAL 137 1HG2 VAL 137 5.191 2.616 12.306 1068 2HG2 VAL 137 2HG2 VAL 137 3.673 1.699 12.464 1069 3HG2 VAL 137 3HG2 VAL 137 4.425 2.430 13.902 1070 H GLU 138 H GLU 138 2.708 1.162 14.977 1071 HA GLU 138 HA GLU 138 4.036 1.684 17.483 1072 1HB GLU 138 1HB GLU 138 1.845 2.949 15.896 1073 2HB GLU 138 2HB GLU 138 1.678 3.067 17.636 1074 1HG GLU 138 1HG GLU 138 4.420 3.635 17.078 1075 2HG GLU 138 2HG GLU 138 3.497 4.507 15.870 Start of MODEL 4 1 1H MET 1 H MET 1 -10.956 20.138 -17.363 2 HA MET 1 HA MET 1 -12.358 18.654 -18.333 3 1HB MET 1 1HB MET 1 -10.027 18.165 -19.915 4 2HB MET 1 2HB MET 1 -10.449 16.604 -19.240 5 1HG MET 1 1HG MET 1 -12.004 16.432 -20.894 6 2HG MET 1 2HG MET 1 -12.935 17.640 -20.031 7 1HE MET 1 1HE MET 1 -13.783 19.799 -21.802 8 2HE MET 1 2HE MET 1 -12.922 19.895 -20.247 9 3HE MET 1 3HE MET 1 -12.380 20.881 -21.627 10 H THR 2 H THR 2 -11.115 18.818 -15.686 11 HA THR 2 HA THR 2 -10.707 17.614 -13.839 12 HB THR 2 HB THR 2 -12.570 16.049 -13.351 13 HG1 THR 2 1HG THR 2 -13.838 15.369 -15.218 14 1HG2 THR 2 1HG2 THR 2 -13.172 18.515 -13.560 15 2HG2 THR 2 2HG2 THR 2 -13.567 18.218 -15.270 16 3HG2 THR 2 3HG2 THR 2 -14.510 17.421 -13.988 17 H ARG 3 H ARG 3 -8.593 16.902 -14.079 18 HA ARG 3 HA ARG 3 -8.333 14.296 -15.320 19 1HB ARG 3 1HB ARG 3 -6.732 15.853 -16.215 20 2HB ARG 3 2HB ARG 3 -6.350 16.502 -14.632 21 1HG ARG 3 1HG ARG 3 -5.043 14.628 -14.023 22 2HG ARG 3 2HG ARG 3 -5.839 13.568 -15.169 23 1HD ARG 3 1HD ARG 3 -4.074 13.936 -16.560 24 2HD ARG 3 2HD ARG 3 -4.724 15.543 -16.819 25 HE ARG 3 HE ARG 3 -2.432 14.832 -15.117 26 1HH1 ARG 3 2HH2 ARG 3 -4.838 17.280 -15.892 27 2HH1 ARG 3 1HH2 ARG 3 -3.913 18.583 -15.225 28 1HH2 ARG 3 2HH1 ARG 3 -1.211 16.552 -14.237 29 2HH2 ARG 3 1HH1 ARG 3 -1.836 18.166 -14.277 30 H LEU 4 H LEU 4 -7.324 12.525 -14.163 31 HA LEU 4 HA LEU 4 -7.281 12.951 -11.258 32 1HB LEU 4 1HB LEU 4 -7.833 10.433 -12.835 33 2HB LEU 4 2HB LEU 4 -7.770 10.549 -11.087 34 HG LEU 4 HG LEU 4 -9.711 12.213 -12.688 35 1HD1 LEU 4 1HD1 LEU 4 -10.532 10.246 -13.451 36 2HD1 LEU 4 2HD1 LEU 4 -9.811 9.297 -12.129 37 3HD1 LEU 4 3HD1 LEU 4 -11.303 10.226 -11.847 38 1HD2 LEU 4 1HD2 LEU 4 -11.003 11.821 -10.453 39 2HD2 LEU 4 2HD2 LEU 4 -9.391 11.424 -9.810 40 3HD2 LEU 4 3HD2 LEU 4 -9.694 13.025 -10.529 41 HA PRO 5 HA PRO 5 -2.996 12.242 -12.000 42 1HB PRO 5 1HB PRO 5 -2.093 13.387 -9.689 43 2HB PRO 5 2HB PRO 5 -2.353 14.290 -11.168 44 1HG PRO 5 1HG PRO 5 -4.003 14.236 -8.716 45 2HG PRO 5 2HG PRO 5 -3.998 15.418 -10.009 46 1HD PRO 5 1HD PRO 5 -5.945 13.357 -9.577 47 2HD PRO 5 2HD PRO 5 -5.875 14.465 -10.933 48 H ASP 6 H ASP 6 -1.107 11.395 -10.444 49 HA ASP 6 HA ASP 6 -2.014 8.832 -9.809 50 1HB ASP 6 1HB ASP 6 0.527 9.920 -8.609 51 2HB ASP 6 2HB ASP 6 0.238 8.357 -9.348 52 H ILE 7 H ILE 7 -2.214 7.841 -7.662 53 HA ILE 7 HA ILE 7 -2.902 9.782 -5.611 54 HB ILE 7 HB ILE 7 -3.389 6.819 -5.900 55 1HG1 ILE 7 1HG1 ILE 7 -5.244 9.214 -6.044 56 2HG1 ILE 7 2HG1 ILE 7 -4.723 8.225 -7.394 57 1HG2 ILE 7 1HG2 ILE 7 -3.895 6.647 -3.747 58 2HG2 ILE 7 2HG2 ILE 7 -3.204 8.269 -3.501 59 3HG2 ILE 7 3HG2 ILE 7 -4.945 8.083 -3.824 60 1HD1 ILE 7 1HD1 ILE 7 -6.855 7.726 -5.461 61 2HD1 ILE 7 2HD1 ILE 7 -6.515 6.897 -6.999 62 3HD1 ILE 7 3HD1 ILE 7 -5.707 6.367 -5.504 63 H LYS 8 H LYS 8 -0.380 10.212 -5.720 64 HA LYS 8 HA LYS 8 1.142 8.237 -4.277 65 1HB LYS 8 1HB LYS 8 2.336 9.314 -5.993 66 2HB LYS 8 2HB LYS 8 1.752 10.903 -5.544 67 1HG LYS 8 1HG LYS 8 3.056 10.847 -3.452 68 2HG LYS 8 2HG LYS 8 3.544 9.192 -3.758 69 1HD LYS 8 1HD LYS 8 5.225 9.839 -5.152 70 2HD LYS 8 2HD LYS 8 4.171 10.909 -6.054 71 1HE LYS 8 1HE LYS 8 4.958 12.744 -4.964 72 2HE LYS 8 2HE LYS 8 4.681 12.014 -3.396 73 1HZ LYS 8 1HZ LYS 8 6.759 10.731 -3.819 74 2HZ LYS 8 2HZ LYS 8 7.040 11.696 -5.105 75 3HZ LYS 8 3HZ LYS 8 6.969 12.336 -3.604 76 H LYS 9 H LYS 9 1.777 8.322 -2.129 77 HA LYS 9 HA LYS 9 0.984 10.676 -0.609 78 1HB LYS 9 1HB LYS 9 -0.309 8.028 -0.458 79 2HB LYS 9 2HB LYS 9 0.208 8.665 1.090 80 1HG LYS 9 1HG LYS 9 -1.819 9.753 0.997 81 2HG LYS 9 2HG LYS 9 -0.902 10.926 0.074 82 1HD LYS 9 1HD LYS 9 -1.546 9.582 -2.035 83 2HD LYS 9 2HD LYS 9 -2.663 8.691 -1.020 84 1HE LYS 9 1HE LYS 9 -4.175 10.340 -1.429 85 2HE LYS 9 2HE LYS 9 -3.223 11.360 -0.368 86 1HZ LYS 9 1HZ LYS 9 -3.174 12.564 -2.257 87 2HZ LYS 9 2HZ LYS 9 -1.846 11.658 -2.545 88 3HZ LYS 9 3HZ LYS 9 -3.264 11.278 -3.260 89 H GLU 10 H GLU 10 1.957 10.585 1.657 90 HA GLU 10 HA GLU 10 4.155 8.771 1.903 91 1HB GLU 10 1HB GLU 10 5.063 10.636 0.478 92 2HB GLU 10 2HB GLU 10 4.682 11.772 1.757 93 1HG GLU 10 1HG GLU 10 6.328 9.354 2.486 94 2HG GLU 10 2HG GLU 10 7.109 10.614 1.553 95 H VAL 11 H VAL 11 4.589 8.352 4.068 96 HA VAL 11 HA VAL 11 3.519 10.262 6.011 97 HB VAL 11 HB VAL 11 2.896 8.060 7.295 98 1HG1 VAL 11 1HG1 VAL 11 0.795 8.789 7.012 99 2HG1 VAL 11 2HG1 VAL 11 1.483 10.002 5.905 100 3HG1 VAL 11 3HG1 VAL 11 0.833 8.475 5.260 101 1HG2 VAL 11 1HG2 VAL 11 3.846 6.779 5.167 102 2HG2 VAL 11 2HG2 VAL 11 2.459 6.156 6.093 103 3HG2 VAL 11 3HG2 VAL 11 2.189 7.040 4.572 104 H ARG 12 H ARG 12 4.474 9.904 8.225 105 HA ARG 12 HA ARG 12 7.093 8.663 7.953 106 1HB ARG 12 1HB ARG 12 7.451 11.069 7.948 107 2HB ARG 12 2HB ARG 12 6.336 11.307 9.279 108 1HG ARG 12 1HG ARG 12 7.862 10.021 10.789 109 2HG ARG 12 2HG ARG 12 8.977 9.780 9.458 110 1HD ARG 12 1HD ARG 12 9.606 12.063 9.387 111 2HD ARG 12 2HD ARG 12 8.132 12.602 10.167 112 HE ARG 12 HE ARG 12 9.655 10.877 11.930 113 1HH1 ARG 12 2HH2 ARG 12 9.515 14.155 10.660 114 2HH1 ARG 12 1HH2 ARG 12 10.334 14.853 12.017 115 1HH2 ARG 12 2HH1 ARG 12 10.735 11.797 13.721 116 2HH2 ARG 12 1HH1 ARG 12 11.033 13.502 13.771 117 H PHE 13 H PHE 13 7.331 6.993 9.407 118 HA PHE 13 HA PHE 13 5.686 7.121 11.835 119 1HB PHE 13 1HB PHE 13 6.927 4.778 10.270 120 2HB PHE 13 2HB PHE 13 5.940 4.590 11.705 121 HD1 PHE 13 1HD PHE 13 3.903 6.780 10.947 122 HD2 PHE 13 2HD PHE 13 5.548 3.510 8.800 123 HE1 PHE 13 1HE PHE 13 1.842 6.682 9.518 124 HE2 PHE 13 2HE PHE 13 3.488 3.412 7.371 125 HZ PHE 13 HZ PHE 13 1.659 4.999 7.746 126 H ASN 14 H ASN 14 6.633 6.561 13.855 127 HA ASN 14 HA ASN 14 9.488 6.932 13.841 128 1HB ASN 14 1HB ASN 14 7.303 7.572 15.629 129 2HB ASN 14 2HB ASN 14 8.411 6.532 16.503 130 1HD2 ASN 14 1HD2 ASN 14 7.689 9.533 16.364 131 2HD2 ASN 14 2HD2 ASN 14 9.218 10.347 16.390 132 H ALA 15 H ALA 15 10.625 4.993 13.553 133 HA ALA 15 HA ALA 15 10.728 3.036 15.446 134 1HB ALA 15 1HB ALA 15 9.428 1.418 13.491 135 2HB ALA 15 2HB ALA 15 8.919 1.736 15.167 136 3HB ALA 15 3HB ALA 15 8.344 2.784 13.848 137 HA PRO 16 HA PRO 16 13.872 1.728 12.766 138 1HB PRO 16 1HB PRO 16 14.026 -0.989 13.020 139 2HB PRO 16 2HB PRO 16 14.667 0.124 14.213 140 1HG PRO 16 1HG PRO 16 12.213 -1.519 14.341 141 2HG PRO 16 2HG PRO 16 13.087 -0.747 15.649 142 1HD PRO 16 1HD PRO 16 10.637 0.150 14.457 143 2HD PRO 16 2HD PRO 16 11.571 0.981 15.685 144 H ILE 17 H ILE 17 14.133 1.843 10.631 145 HA ILE 17 HA ILE 17 12.050 1.314 8.934 146 HB ILE 17 HB ILE 17 13.905 2.718 8.349 147 1HG1 ILE 17 1HG1 ILE 17 14.072 0.449 6.381 148 2HG1 ILE 17 2HG1 ILE 17 12.555 1.295 6.616 149 1HG2 ILE 17 1HG2 ILE 17 15.596 0.203 8.328 150 2HG2 ILE 17 2HG2 ILE 17 16.119 1.819 7.796 151 3HG2 ILE 17 3HG2 ILE 17 15.697 1.536 9.502 152 1HD1 ILE 17 1HD1 ILE 17 14.807 2.128 5.058 153 2HD1 ILE 17 2HD1 ILE 17 13.282 3.005 5.327 154 3HD1 ILE 17 3HD1 ILE 17 14.663 3.265 6.420 155 H GLU 18 H GLU 18 14.370 -0.895 10.416 156 HA GLU 18 HA GLU 18 14.167 -2.961 8.594 157 1HB GLU 18 1HB GLU 18 15.508 -2.501 10.983 158 2HB GLU 18 2HB GLU 18 14.399 -3.781 11.432 159 1HG GLU 18 1HG GLU 18 15.271 -4.767 9.035 160 2HG GLU 18 2HG GLU 18 16.685 -3.839 9.494 161 H LYS 19 H LYS 19 12.179 -2.109 11.486 162 HA LYS 19 HA LYS 19 10.563 -4.412 11.357 163 1HB LYS 19 1HB LYS 19 10.969 -2.748 13.298 164 2HB LYS 19 2HB LYS 19 9.725 -1.769 12.547 165 1HG LYS 19 1HG LYS 19 8.079 -3.547 12.745 166 2HG LYS 19 2HG LYS 19 9.302 -4.718 13.195 167 1HD LYS 19 1HD LYS 19 9.787 -3.223 15.248 168 2HD LYS 19 2HD LYS 19 8.330 -2.341 14.837 169 1HE LYS 19 1HE LYS 19 7.044 -3.929 15.821 170 2HE LYS 19 2HE LYS 19 7.707 -5.163 14.768 171 1HZ LYS 19 1HZ LYS 19 8.687 -5.945 16.564 172 2HZ LYS 19 2HZ LYS 19 9.674 -4.644 16.573 173 3HZ LYS 19 3HZ LYS 19 8.308 -4.638 17.468 174 H VAL 20 H VAL 20 9.969 -0.980 10.311 175 HA VAL 20 HA VAL 20 7.517 -1.463 9.132 176 HB VAL 20 HB VAL 20 9.573 0.531 8.182 177 1HG1 VAL 20 1HG1 VAL 20 6.605 0.239 7.980 178 2HG1 VAL 20 2HG1 VAL 20 7.271 1.880 8.160 179 3HG1 VAL 20 3HG1 VAL 20 7.781 0.857 6.796 180 1HG2 VAL 20 1HG2 VAL 20 8.164 1.928 10.023 181 2HG2 VAL 20 2HG2 VAL 20 8.182 0.325 10.798 182 3HG2 VAL 20 3HG2 VAL 20 9.714 1.123 10.368 183 H TRP 21 H TRP 21 10.837 -2.068 7.994 184 HA TRP 21 HA TRP 21 10.083 -2.490 5.283 185 1HB TRP 21 1HB TRP 21 12.317 -1.807 5.809 186 2HB TRP 21 2HB TRP 21 12.555 -3.179 6.873 187 HD1 TRP 21 HD TRP 21 14.155 -4.862 5.691 188 HE1 TRP 21 1HE TRP 21 14.559 -5.860 3.282 189 HE3 TRP 21 3HE TRP 21 10.547 -2.125 3.378 190 HZ2 TRP 21 2HZ TRP 21 13.352 -5.404 0.736 191 HZ3 TRP 21 3HZ TRP 21 10.225 -2.462 0.929 192 HH2 TRP 21 HH TRP 21 11.556 -4.034 -0.386 193 H GLU 22 H GLU 22 10.332 -4.419 8.283 194 HA GLU 22 HA GLU 22 10.063 -6.884 6.907 195 1HB GLU 22 1HB GLU 22 10.706 -6.008 9.558 196 2HB GLU 22 2HB GLU 22 9.325 -7.077 9.700 197 1HG GLU 22 1HG GLU 22 10.660 -8.666 8.087 198 2HG GLU 22 2HG GLU 22 12.050 -7.681 8.498 199 H ALA 23 H ALA 23 7.915 -4.396 8.142 200 HA ALA 23 HA ALA 23 5.633 -6.149 8.288 201 1HB ALA 23 1HB ALA 23 5.808 -4.307 9.856 202 2HB ALA 23 2HB ALA 23 6.001 -3.137 8.528 203 3HB ALA 23 3HB ALA 23 4.449 -3.979 8.754 204 H VAL 24 H VAL 24 7.445 -4.645 5.821 205 HA VAL 24 HA VAL 24 5.092 -4.697 4.058 206 HB VAL 24 HB VAL 24 6.112 -2.947 2.759 207 1HG1 VAL 24 1HG1 VAL 24 6.432 -1.285 4.941 208 2HG1 VAL 24 2HG1 VAL 24 4.884 -1.699 4.166 209 3HG1 VAL 24 3HG1 VAL 24 5.435 -2.605 5.595 210 1HG2 VAL 24 1HG2 VAL 24 8.176 -1.776 3.895 211 2HG2 VAL 24 2HG2 VAL 24 8.447 -3.390 4.597 212 3HG2 VAL 24 3HG2 VAL 24 8.411 -3.183 2.830 213 H SER 25 H SER 25 7.283 -6.722 5.012 214 HA SER 25 HA SER 25 8.206 -7.352 2.317 215 1HB SER 25 1HB SER 25 10.100 -8.534 3.356 216 2HB SER 25 2HB SER 25 10.058 -6.864 3.886 217 HG SER 25 HG SER 25 9.822 -9.191 5.375 218 H THR 26 H THR 26 6.713 -8.501 5.361 219 HA THR 26 HA THR 26 6.291 -11.143 4.168 220 HB THR 26 HB THR 26 5.956 -11.866 6.428 221 HG1 THR 26 1HG THR 26 5.724 -8.988 6.966 222 1HG2 THR 26 1HG2 THR 26 8.259 -10.330 5.879 223 2HG2 THR 26 2HG2 THR 26 7.637 -9.650 7.402 224 3HG2 THR 26 3HG2 THR 26 8.022 -11.384 7.294 225 H SER 27 H SER 27 3.982 -12.037 5.148 226 HA SER 27 HA SER 27 2.118 -10.274 3.812 227 1HB SER 27 1HB SER 27 1.196 -12.945 4.752 228 2HB SER 27 2HB SER 27 0.950 -12.159 3.205 229 HG SER 27 HG SER 27 3.403 -12.594 2.941 230 H GLU 28 H GLU 28 2.701 -12.008 6.917 231 HA GLU 28 HA GLU 28 0.293 -11.383 8.108 232 1HB GLU 28 1HB GLU 28 2.766 -12.618 8.840 233 2HB GLU 28 2HB GLU 28 2.438 -11.404 10.060 234 1HG GLU 28 1HG GLU 28 0.187 -13.220 9.171 235 2HG GLU 28 2HG GLU 28 1.401 -13.855 10.263 236 H GLY 29 H GLY 29 3.354 -9.540 7.788 237 1HA GLY 29 1HA GLY 29 2.602 -7.464 9.603 238 2HA GLY 29 2HA GLY 29 3.933 -7.461 8.464 239 H LEU 30 H LEU 30 2.396 -8.012 6.042 240 HA LEU 30 HA LEU 30 1.525 -5.349 5.526 241 1HB LEU 30 1HB LEU 30 2.139 -7.787 4.023 242 2HB LEU 30 2HB LEU 30 0.799 -6.877 3.354 243 HG LEU 30 HG LEU 30 2.981 -5.091 4.007 244 1HD1 LEU 30 1HD1 LEU 30 4.439 -6.038 2.065 245 2HD1 LEU 30 2HD1 LEU 30 4.610 -6.701 3.708 246 3HD1 LEU 30 3HD1 LEU 30 3.668 -7.586 2.484 247 1HD2 LEU 30 1HD2 LEU 30 1.263 -5.773 1.663 248 2HD2 LEU 30 2HD2 LEU 30 1.530 -4.214 2.479 249 3HD2 LEU 30 3HD2 LEU 30 2.766 -4.863 1.374 250 H ALA 31 H ALA 31 -0.131 -8.586 5.399 251 HA ALA 31 HA ALA 31 -2.665 -7.685 4.944 252 1HB ALA 31 1HB ALA 31 -1.637 -10.082 5.162 253 2HB ALA 31 2HB ALA 31 -2.111 -9.945 6.873 254 3HB ALA 31 3HB ALA 31 -3.346 -9.832 5.596 255 H PHE 32 H PHE 32 -0.663 -7.298 7.800 256 HA PHE 32 HA PHE 32 -2.645 -7.038 9.729 257 1HB PHE 32 1HB PHE 32 0.139 -6.877 9.487 258 2HB PHE 32 2HB PHE 32 -0.266 -5.200 9.789 259 HD1 PHE 32 1HD PHE 32 1.116 -7.632 11.452 260 HD2 PHE 32 2HD PHE 32 -2.514 -5.446 11.678 261 HE1 PHE 32 1HE PHE 32 0.983 -8.107 13.914 262 HE2 PHE 32 2HE PHE 32 -2.648 -5.922 14.138 263 HZ PHE 32 HZ PHE 32 -0.898 -7.246 15.227 264 H TRP 33 H TRP 33 -1.852 -5.020 7.005 265 HA TRP 33 HA TRP 33 -3.716 -3.015 8.027 266 1HB TRP 33 1HB TRP 33 -2.299 -1.197 7.230 267 2HB TRP 33 2HB TRP 33 -1.560 -2.091 8.544 268 HD1 TRP 33 HD TRP 33 0.586 -3.708 7.842 269 HE1 TRP 33 1HE TRP 33 2.366 -3.594 5.897 270 HE3 TRP 33 3HE TRP 33 -2.075 -0.545 4.881 271 HZ2 TRP 33 2HZ TRP 33 2.459 -2.225 3.395 272 HZ3 TRP 33 3HZ TRP 33 -1.068 0.131 2.703 273 HH2 TRP 33 HH TRP 33 1.118 -0.656 1.946 274 H PHE 34 H PHE 34 -1.687 -4.225 5.269 275 HA PHE 34 HA PHE 34 -3.377 -3.122 3.299 276 1HB PHE 34 1HB PHE 34 -1.048 -3.678 2.812 277 2HB PHE 34 2HB PHE 34 -1.221 -5.289 3.479 278 HD1 PHE 34 1HD PHE 34 -3.343 -3.497 0.992 279 HD2 PHE 34 2HD PHE 34 -0.721 -6.746 1.747 280 HE1 PHE 34 1HE PHE 34 -3.798 -4.398 -1.306 281 HE2 PHE 34 2HE PHE 34 -1.176 -7.648 -0.551 282 HZ PHE 34 HZ PHE 34 -2.709 -6.463 -2.050 283 H MET 35 H MET 35 -2.635 -6.620 3.288 284 HA MET 35 HA MET 35 -5.173 -7.472 4.039 285 1HB MET 35 1HB MET 35 -4.764 -6.691 1.188 286 2HB MET 35 2HB MET 35 -5.398 -8.314 1.374 287 1HG MET 35 1HG MET 35 -7.460 -7.512 1.895 288 2HG MET 35 2HG MET 35 -6.806 -6.541 3.199 289 1HE MET 35 1HE MET 35 -7.057 -7.006 -0.490 290 2HE MET 35 2HE MET 35 -7.320 -5.388 -1.185 291 3HE MET 35 3HE MET 35 -5.675 -5.914 -0.750 292 H GLU 36 H GLU 36 -5.478 -9.882 3.547 293 HA GLU 36 HA GLU 36 -3.154 -11.214 4.171 294 1HB GLU 36 1HB GLU 36 -5.818 -12.173 3.059 295 2HB GLU 36 2HB GLU 36 -4.543 -13.291 3.502 296 1HG GLU 36 1HG GLU 36 -4.649 -11.637 5.736 297 2HG GLU 36 2HG GLU 36 -6.330 -11.678 5.243 298 H ASN 37 H ASN 37 -1.584 -12.321 2.980 299 HA ASN 37 HA ASN 37 -2.014 -12.801 0.214 300 1HB ASN 37 1HB ASN 37 -0.004 -11.460 -0.531 301 2HB ASN 37 2HB ASN 37 -1.315 -10.449 0.044 302 1HD2 ASN 37 1HD2 ASN 37 -1.257 -9.746 2.296 303 2HD2 ASN 37 2HD2 ASN 37 0.263 -9.395 3.047 304 H ASP 38 H ASP 38 0.528 -13.408 -0.651 305 HA ASP 38 HA ASP 38 1.554 -15.107 1.486 306 1HB ASP 38 1HB ASP 38 0.585 -15.803 -1.081 307 2HB ASP 38 2HB ASP 38 2.328 -15.886 -1.241 308 H LEU 39 H LEU 39 2.134 -12.230 0.191 309 HA LEU 39 HA LEU 39 4.472 -12.181 -1.178 310 1HB LEU 39 1HB LEU 39 2.969 -10.279 -0.523 311 2HB LEU 39 2HB LEU 39 3.734 -10.287 1.054 312 HG LEU 39 HG LEU 39 5.905 -10.146 -0.650 313 1HD1 LEU 39 1HD1 LEU 39 4.036 -8.095 -1.775 314 2HD1 LEU 39 2HD1 LEU 39 5.524 -8.792 -2.462 315 3HD1 LEU 39 3HD1 LEU 39 4.021 -9.745 -2.442 316 1HD2 LEU 39 1HD2 LEU 39 6.155 -7.889 0.151 317 2HD2 LEU 39 2HD2 LEU 39 4.425 -7.795 0.559 318 3HD2 LEU 39 3HD2 LEU 39 5.493 -8.899 1.459 319 H LYS 40 H LYS 40 6.703 -12.188 -0.694 320 HA LYS 40 HA LYS 40 7.465 -12.752 2.042 321 1HB LYS 40 1HB LYS 40 6.920 -14.906 0.451 322 2HB LYS 40 2HB LYS 40 8.625 -14.677 0.119 323 1HG LYS 40 1HG LYS 40 9.235 -14.933 2.417 324 2HG LYS 40 2HG LYS 40 7.601 -14.645 2.979 325 1HD LYS 40 1HD LYS 40 8.127 -17.011 1.167 326 2HD LYS 40 2HD LYS 40 8.577 -17.123 2.857 327 1HE LYS 40 1HE LYS 40 6.129 -16.241 3.320 328 2HE LYS 40 2HE LYS 40 5.812 -16.729 1.667 329 1HZ LYS 40 1HZ LYS 40 5.545 -18.389 3.609 330 2HZ LYS 40 2HZ LYS 40 6.137 -18.902 2.176 331 3HZ LYS 40 3HZ LYS 40 7.151 -18.614 3.423 332 H ALA 41 H ALA 41 7.707 -10.586 -0.064 333 HA ALA 41 HA ALA 41 9.255 -9.296 -1.009 334 1HB ALA 41 1HB ALA 41 9.945 -8.454 0.992 335 2HB ALA 41 2HB ALA 41 10.220 -10.068 1.692 336 3HB ALA 41 3HB ALA 41 11.445 -9.340 0.625 337 H GLU 42 H GLU 42 9.323 -10.979 -2.800 338 HA GLU 42 HA GLU 42 12.073 -11.622 -3.222 339 1HB GLU 42 1HB GLU 42 10.579 -13.623 -2.065 340 2HB GLU 42 2HB GLU 42 10.329 -13.975 -3.763 341 1HG GLU 42 1HG GLU 42 12.599 -14.412 -4.160 342 2HG GLU 42 2HG GLU 42 13.141 -13.370 -2.859 343 H THR 43 H THR 43 12.366 -10.673 -5.193 344 HA THR 43 HA THR 43 10.328 -10.046 -6.962 345 HB THR 43 HB THR 43 12.927 -9.364 -6.682 346 HG1 THR 43 1HG THR 43 12.582 -8.670 -9.045 347 1HG2 THR 43 1HG2 THR 43 13.597 -11.696 -7.661 348 2HG2 THR 43 2HG2 THR 43 12.947 -11.083 -9.201 349 3HG2 THR 43 3HG2 THR 43 14.319 -10.258 -8.422 350 H GLY 44 H GLY 44 9.419 -10.963 -8.775 351 1HA GLY 44 1HA GLY 44 8.955 -12.567 -10.309 352 2HA GLY 44 2HA GLY 44 10.389 -13.452 -9.826 353 H HIS 45 H HIS 45 8.482 -12.577 -7.093 354 HA HIS 45 HA HIS 45 7.739 -15.327 -6.745 355 1HB HIS 45 1HB HIS 45 8.673 -14.125 -4.874 356 2HB HIS 45 2HB HIS 45 7.460 -12.867 -5.002 357 HD1 HIS 45 1HD HIS 45 6.762 -16.622 -5.081 358 HD2 HIS 45 2HD HIS 45 6.127 -13.284 -2.621 359 HE1 HIS 45 1HE HIS 45 5.234 -17.405 -3.193 360 H HIS 46 H HIS 46 5.655 -16.193 -6.765 361 HA HIS 46 HA HIS 46 3.612 -14.340 -7.753 362 1HB HIS 46 1HB HIS 46 2.583 -16.533 -8.655 363 2HB HIS 46 2HB HIS 46 3.931 -15.805 -9.506 364 HD1 HIS 46 1HD HIS 46 5.990 -17.233 -9.853 365 HD2 HIS 46 2HD HIS 46 3.369 -18.837 -6.998 366 HE1 HIS 46 1HE HIS 46 6.889 -19.551 -9.280 367 H PHE 47 H PHE 47 2.382 -13.732 -6.026 368 HA PHE 47 HA PHE 47 1.488 -15.907 -4.267 369 1HB PHE 47 1HB PHE 47 1.739 -14.371 -2.430 370 2HB PHE 47 2HB PHE 47 3.150 -14.040 -3.414 371 HD1 PHE 47 1HD PHE 47 -0.166 -12.800 -2.423 372 HD2 PHE 47 2HD PHE 47 3.404 -11.940 -4.550 373 HE1 PHE 47 1HE PHE 47 -0.833 -10.385 -2.568 374 HE2 PHE 47 2HE PHE 47 2.737 -9.525 -4.694 375 HZ PHE 47 HZ PHE 47 0.626 -8.776 -3.702 376 H HIS 48 H HIS 48 -0.709 -15.841 -3.560 377 HA HIS 48 HA HIS 48 -2.370 -14.237 -5.325 378 1HB HIS 48 1HB HIS 48 -2.502 -16.894 -4.232 379 2HB HIS 48 2HB HIS 48 -3.923 -16.002 -3.727 380 HD1 HIS 48 1HD HIS 48 -2.208 -17.371 -6.788 381 HD2 HIS 48 2HD HIS 48 -5.717 -15.295 -5.801 382 HE1 HIS 48 1HE HIS 48 -3.692 -17.447 -8.863 383 H LEU 49 H LEU 49 -4.332 -13.162 -4.407 384 HA LEU 49 HA LEU 49 -3.775 -12.232 -1.675 385 1HB LEU 49 1HB LEU 49 -3.323 -10.554 -3.422 386 2HB LEU 49 2HB LEU 49 -4.979 -10.691 -3.979 387 HG LEU 49 HG LEU 49 -5.600 -10.033 -1.524 388 1HD1 LEU 49 1HD1 LEU 49 -3.079 -8.466 -1.501 389 2HD1 LEU 49 2HD1 LEU 49 -4.049 -9.115 -0.157 390 3HD1 LEU 49 3HD1 LEU 49 -2.957 -10.188 -1.066 391 1HD2 LEU 49 1HD2 LEU 49 -5.241 -7.561 -2.186 392 2HD2 LEU 49 2HD2 LEU 49 -4.601 -8.222 -3.710 393 3HD2 LEU 49 3HD2 LEU 49 -6.272 -8.585 -3.214 394 H GLN 50 H GLN 50 -5.459 -12.238 -0.199 395 HA GLN 50 HA GLN 50 -7.868 -13.526 -1.201 396 1HB GLN 50 1HB GLN 50 -6.791 -13.333 1.647 397 2HB GLN 50 2HB GLN 50 -8.247 -14.186 1.177 398 1HG GLN 50 1HG GLN 50 -6.012 -15.022 -0.510 399 2HG GLN 50 2HG GLN 50 -5.582 -15.191 1.181 400 1HE2 GLN 50 1HE2 GLN 50 -7.607 -16.249 -1.409 401 2HE2 GLN 50 2HE2 GLN 50 -8.356 -17.600 -0.626 402 H SER 51 H SER 51 -8.585 -11.372 -2.053 403 HA SER 51 HA SER 51 -9.199 -9.435 -0.021 404 1HB SER 51 1HB SER 51 -9.597 -7.923 -1.783 405 2HB SER 51 2HB SER 51 -8.322 -8.943 -2.420 406 HG SER 51 HG SER 51 -11.085 -8.834 -3.130 407 HA PRO 52 HA PRO 52 -13.402 -10.520 0.280 408 1HB PRO 52 1HB PRO 52 -14.655 -8.129 0.707 409 2HB PRO 52 2HB PRO 52 -13.789 -8.994 1.961 410 1HG PRO 52 1HG PRO 52 -12.967 -6.576 0.472 411 2HG PRO 52 2HG PRO 52 -12.340 -7.200 1.986 412 1HD PRO 52 1HD PRO 52 -11.103 -7.396 -0.595 413 2HD PRO 52 2HD PRO 52 -10.535 -8.118 0.898 414 H PHE 53 H PHE 53 -12.601 -8.168 -2.118 415 HA PHE 53 HA PHE 53 -15.135 -8.571 -3.446 416 1HB PHE 53 1HB PHE 53 -12.589 -6.924 -3.767 417 2HB PHE 53 2HB PHE 53 -13.646 -7.084 -5.155 418 HD1 PHE 53 1HD PHE 53 -16.059 -6.319 -4.924 419 HD2 PHE 53 2HD PHE 53 -13.072 -5.379 -2.061 420 HE1 PHE 53 1HE PHE 53 -17.479 -4.438 -4.060 421 HE2 PHE 53 2HE PHE 53 -14.492 -3.498 -1.197 422 HZ PHE 53 HZ PHE 53 -16.679 -3.050 -2.207 423 H GLY 54 H GLY 54 -13.675 -11.004 -3.134 424 1HA GLY 54 1HA GLY 54 -13.497 -12.787 -4.590 425 2HA GLY 54 2HA GLY 54 -13.320 -11.691 -5.946 426 HA PRO 55 HA PRO 55 -9.180 -13.039 -4.159 427 1HB PRO 55 1HB PRO 55 -8.769 -15.578 -5.083 428 2HB PRO 55 2HB PRO 55 -9.312 -15.227 -3.454 429 1HG PRO 55 1HG PRO 55 -10.867 -16.268 -5.743 430 2HG PRO 55 2HG PRO 55 -11.263 -16.311 -4.037 431 1HD PRO 55 1HD PRO 55 -12.363 -14.543 -6.009 432 2HD PRO 55 2HD PRO 55 -12.671 -14.510 -4.284 433 H SER 56 H SER 56 -7.362 -12.392 -5.188 434 HA SER 56 HA SER 56 -7.428 -12.845 -8.054 435 1HB SER 56 1HB SER 56 -7.650 -10.264 -6.689 436 2HB SER 56 2HB SER 56 -6.232 -10.303 -7.719 437 HG SER 56 HG SER 56 -8.285 -9.592 -8.763 438 HA PRO 57 HA PRO 57 -3.257 -13.830 -7.279 439 1HB PRO 57 1HB PRO 57 -2.240 -13.791 -9.815 440 2HB PRO 57 2HB PRO 57 -3.140 -15.147 -9.164 441 1HG PRO 57 1HG PRO 57 -4.020 -13.100 -11.107 442 2HG PRO 57 2HG PRO 57 -4.724 -14.670 -10.771 443 1HD PRO 57 1HD PRO 57 -5.713 -12.123 -9.898 444 2HD PRO 57 2HD PRO 57 -6.349 -13.698 -9.467 445 H CYS 58 H CYS 58 -0.957 -13.138 -7.433 446 HA CYS 58 HA CYS 58 -0.713 -10.370 -8.202 447 1HB CYS 58 1HB CYS 58 -0.294 -11.239 -5.324 448 2HB CYS 58 2HB CYS 58 0.249 -9.711 -5.988 449 HG CYS 58 HG CYS 58 -1.772 -8.737 -5.121 450 H GLN 59 H GLN 59 1.630 -9.743 -8.267 451 HA GLN 59 HA GLN 59 3.490 -11.876 -7.821 452 1HB GLN 59 1HB GLN 59 2.734 -12.413 -10.090 453 2HB GLN 59 2HB GLN 59 2.983 -10.759 -10.612 454 1HG GLN 59 1HG GLN 59 5.186 -11.137 -11.010 455 2HG GLN 59 2HG GLN 59 5.429 -11.771 -9.395 456 1HE2 GLN 59 1HE2 GLN 59 4.280 -12.557 -12.638 457 2HE2 GLN 59 2HE2 GLN 59 4.629 -14.254 -12.605 458 H VAL 60 H VAL 60 5.531 -11.073 -7.292 459 HA VAL 60 HA VAL 60 5.691 -8.213 -7.019 460 HB VAL 60 HB VAL 60 7.670 -10.391 -6.319 461 1HG1 VAL 60 1HG1 VAL 60 9.035 -8.661 -5.913 462 2HG1 VAL 60 2HG1 VAL 60 7.722 -7.475 -6.109 463 3HG1 VAL 60 3HG1 VAL 60 7.970 -8.278 -4.540 464 1HG2 VAL 60 1HG2 VAL 60 5.401 -9.166 -4.726 465 2HG2 VAL 60 2HG2 VAL 60 5.661 -10.880 -5.130 466 3HG2 VAL 60 3HG2 VAL 60 6.748 -10.061 -3.982 467 H THR 61 H THR 61 6.842 -6.808 -8.285 468 HA THR 61 HA THR 61 8.202 -8.009 -10.593 469 HB THR 61 HB THR 61 7.687 -5.910 -11.700 470 HG1 THR 61 1HG THR 61 7.836 -4.198 -10.305 471 1HG2 THR 61 1HG2 THR 61 5.305 -5.758 -11.549 472 2HG2 THR 61 2HG2 THR 61 5.642 -7.442 -11.081 473 3HG2 THR 61 3HG2 THR 61 5.302 -6.221 -9.831 474 H ASP 62 H ASP 62 8.694 -6.129 -7.653 475 HA ASP 62 HA ASP 62 11.493 -6.412 -8.039 476 1HB ASP 62 1HB ASP 62 10.197 -3.926 -8.762 477 2HB ASP 62 2HB ASP 62 11.157 -3.640 -7.324 478 H VAL 63 H VAL 63 12.501 -6.467 -5.962 479 HA VAL 63 HA VAL 63 11.384 -5.153 -3.718 480 HB VAL 63 HB VAL 63 9.713 -6.871 -3.848 481 1HG1 VAL 63 1HG1 VAL 63 11.188 -8.458 -5.197 482 2HG1 VAL 63 2HG1 VAL 63 11.867 -8.989 -3.639 483 3HG1 VAL 63 3HG1 VAL 63 10.131 -9.200 -3.972 484 1HG2 VAL 63 1HG2 VAL 63 11.095 -6.266 -1.619 485 2HG2 VAL 63 2HG2 VAL 63 9.724 -7.401 -1.634 486 3HG2 VAL 63 3HG2 VAL 63 11.393 -8.020 -1.674 487 H GLU 64 H GLU 64 13.326 -4.421 -2.992 488 HA GLU 64 HA GLU 64 15.193 -6.398 -2.128 489 1HB GLU 64 1HB GLU 64 15.832 -5.995 -4.534 490 2HB GLU 64 2HB GLU 64 16.093 -4.304 -4.155 491 1HG GLU 64 1HG GLU 64 18.188 -4.785 -3.443 492 2HG GLU 64 2HG GLU 64 17.527 -5.805 -2.181 493 H ARG 65 H ARG 65 15.286 -5.718 -0.018 494 HA ARG 65 HA ARG 65 15.561 -4.458 1.715 495 1HB ARG 65 1HB ARG 65 17.457 -3.394 -0.265 496 2HB ARG 65 2HB ARG 65 16.976 -2.147 0.869 497 1HG ARG 65 1HG ARG 65 17.386 -4.281 2.580 498 2HG ARG 65 2HG ARG 65 18.575 -4.617 1.337 499 1HD ARG 65 1HD ARG 65 18.491 -1.762 2.171 500 2HD ARG 65 2HD ARG 65 18.944 -2.861 3.458 501 HE ARG 65 HE ARG 65 20.386 -3.531 1.052 502 1HH1 ARG 65 2HH2 ARG 65 20.285 -1.137 3.629 503 2HH1 ARG 65 1HH2 ARG 65 21.965 -0.736 3.496 504 1HH2 ARG 65 2HH1 ARG 65 22.602 -3.002 0.876 505 2HH2 ARG 65 1HH1 ARG 65 23.292 -1.804 1.919 506 HA PRO 66 HA PRO 66 12.723 -1.141 1.721 507 1HB PRO 66 1HB PRO 66 13.544 0.500 3.746 508 2HB PRO 66 2HB PRO 66 12.676 -0.998 4.018 509 1HG PRO 66 1HG PRO 66 15.547 -0.419 4.418 510 2HG PRO 66 2HG PRO 66 14.592 -1.737 5.068 511 1HD PRO 66 1HD PRO 66 16.452 -1.878 2.889 512 2HD PRO 66 2HD PRO 66 15.412 -3.166 3.464 513 H ILE 67 H ILE 67 13.623 -0.669 -0.510 514 HA ILE 67 HA ILE 67 14.236 2.173 -0.458 515 HB ILE 67 HB ILE 67 15.971 1.694 -2.287 516 1HG1 ILE 67 1HG1 ILE 67 16.978 -0.707 -1.175 517 2HG1 ILE 67 2HG1 ILE 67 15.287 -1.003 -1.525 518 1HG2 ILE 67 1HG2 ILE 67 16.254 2.475 0.187 519 2HG2 ILE 67 2HG2 ILE 67 16.914 0.840 0.431 520 3HG2 ILE 67 3HG2 ILE 67 17.671 1.939 -0.747 521 1HD1 ILE 67 1HD1 ILE 67 17.153 0.310 -3.543 522 2HD1 ILE 67 2HD1 ILE 67 16.922 -1.452 -3.449 523 3HD1 ILE 67 3HD1 ILE 67 15.546 -0.394 -3.841 524 H LYS 68 H LYS 68 13.537 -0.800 -2.395 525 HA LYS 68 HA LYS 68 11.526 0.745 -3.815 526 1HB LYS 68 1HB LYS 68 13.458 1.023 -5.236 527 2HB LYS 68 2HB LYS 68 13.818 -0.690 -5.182 528 1HG LYS 68 1HG LYS 68 12.319 -1.155 -6.830 529 2HG LYS 68 2HG LYS 68 11.049 -0.250 -6.031 530 1HD LYS 68 1HD LYS 68 12.198 1.892 -6.896 531 2HD LYS 68 2HD LYS 68 13.210 0.852 -7.879 532 1HE LYS 68 1HE LYS 68 11.154 -0.123 -8.945 533 2HE LYS 68 2HE LYS 68 10.156 0.943 -7.976 534 1HZ LYS 68 1HZ LYS 68 10.576 1.858 -10.143 535 2HZ LYS 68 2HZ LYS 68 11.254 2.814 -9.006 536 3HZ LYS 68 3HZ LYS 68 12.191 1.823 -9.905 537 H LEU 69 H LEU 69 9.660 -0.371 -3.685 538 HA LEU 69 HA LEU 69 9.793 -3.266 -3.933 539 1HB LEU 69 1HB LEU 69 9.936 -2.900 -1.553 540 2HB LEU 69 2HB LEU 69 8.559 -1.817 -1.589 541 HG LEU 69 HG LEU 69 7.216 -3.838 -2.469 542 1HD1 LEU 69 1HD1 LEU 69 8.026 -5.985 -2.261 543 2HD1 LEU 69 2HD1 LEU 69 9.469 -5.113 -2.831 544 3HD1 LEU 69 3HD1 LEU 69 9.297 -5.516 -1.106 545 1HD2 LEU 69 1HD2 LEU 69 6.461 -4.230 -0.355 546 2HD2 LEU 69 2HD2 LEU 69 8.097 -4.349 0.336 547 3HD2 LEU 69 3HD2 LEU 69 7.409 -2.754 -0.053 548 H SER 70 H SER 70 8.298 -3.941 -5.378 549 HA SER 70 HA SER 70 5.903 -2.319 -5.619 550 1HB SER 70 1HB SER 70 7.741 -1.826 -7.419 551 2HB SER 70 2HB SER 70 7.313 -3.390 -8.084 552 HG SER 70 HG SER 70 5.059 -1.858 -7.537 553 H PHE 71 H PHE 71 4.039 -3.525 -6.463 554 HA PHE 71 HA PHE 71 4.394 -6.325 -7.001 555 1HB PHE 71 1HB PHE 71 3.105 -7.056 -5.057 556 2HB PHE 71 2HB PHE 71 4.331 -5.970 -4.433 557 HD1 PHE 71 1HD PHE 71 3.666 -3.552 -3.975 558 HD2 PHE 71 2HD PHE 71 0.826 -6.620 -4.700 559 HE1 PHE 71 1HE PHE 71 1.880 -2.151 -2.905 560 HE2 PHE 71 2HE PHE 71 -0.961 -5.219 -3.630 561 HZ PHE 71 HZ PHE 71 -0.412 -3.001 -2.745 562 H THR 72 H THR 72 2.798 -7.055 -8.373 563 HA THR 72 HA THR 72 0.781 -5.110 -9.129 564 HB THR 72 HB THR 72 0.467 -6.724 -11.024 565 HG1 THR 72 1HG THR 72 1.968 -8.610 -10.891 566 1HG2 THR 72 1HG2 THR 72 2.264 -5.386 -11.705 567 2HG2 THR 72 2HG2 THR 72 3.221 -5.762 -10.252 568 3HG2 THR 72 3HG2 THR 72 3.105 -6.949 -11.573 569 H TRP 73 H TRP 73 -1.474 -5.493 -9.174 570 HA TRP 73 HA TRP 73 -2.393 -7.832 -7.704 571 1HB TRP 73 1HB TRP 73 -2.072 -6.265 -5.927 572 2HB TRP 73 2HB TRP 73 -2.866 -4.984 -6.822 573 HD1 TRP 73 HD TRP 73 -4.486 -8.481 -6.671 574 HE1 TRP 73 1HE TRP 73 -6.752 -8.427 -5.321 575 HE3 TRP 73 3HE TRP 73 -3.999 -3.695 -5.024 576 HZ2 TRP 73 2HZ TRP 73 -8.058 -6.433 -3.750 577 HZ3 TRP 73 3HZ TRP 73 -5.814 -2.771 -3.587 578 HH2 TRP 73 HH TRP 73 -7.791 -4.057 -2.947 579 H ASP 74 H ASP 74 -4.233 -8.626 -8.678 580 HA ASP 74 HA ASP 74 -6.074 -8.689 -9.853 581 1HB ASP 74 1HB ASP 74 -6.369 -6.221 -8.949 582 2HB ASP 74 2HB ASP 74 -5.905 -5.745 -10.570 583 H THR 75 H THR 75 -6.840 -7.800 -12.329 584 HA THR 75 HA THR 75 -4.413 -7.626 -13.969 585 HB THR 75 HB THR 75 -5.174 -9.476 -15.349 586 HG1 THR 75 1HG THR 75 -7.481 -9.377 -13.533 587 1HG2 THR 75 1HG2 THR 75 -6.080 -10.648 -12.745 588 2HG2 THR 75 2HG2 THR 75 -4.855 -11.248 -13.889 589 3HG2 THR 75 3HG2 THR 75 -4.442 -9.951 -12.742 590 H ASP 76 H ASP 76 -6.572 -5.718 -13.008 591 HA ASP 76 HA ASP 76 -8.024 -5.243 -15.429 592 1HB ASP 76 1HB ASP 76 -9.047 -4.870 -13.179 593 2HB ASP 76 2HB ASP 76 -7.836 -3.654 -12.826 594 H GLY 77 H GLY 77 -5.418 -3.764 -13.394 595 1HA GLY 77 1HA GLY 77 -3.623 -2.844 -14.971 596 2HA GLY 77 2HA GLY 77 -4.903 -1.774 -15.507 597 H TRP 78 H TRP 78 -4.041 -3.027 -12.206 598 HA TRP 78 HA TRP 78 -3.647 -0.226 -11.402 599 1HB TRP 78 1HB TRP 78 -5.336 -2.362 -10.169 600 2HB TRP 78 2HB TRP 78 -4.528 -1.214 -9.120 601 HD1 TRP 78 HD TRP 78 -5.224 0.870 -11.976 602 HE1 TRP 78 1HE TRP 78 -7.484 2.226 -11.848 603 HE3 TRP 78 3HE TRP 78 -7.272 -1.883 -8.225 604 HZ2 TRP 78 2HZ TRP 78 -9.823 2.000 -10.229 605 HZ3 TRP 78 3HZ TRP 78 -9.548 -1.250 -7.429 606 HH2 TRP 78 HH TRP 78 -10.816 0.618 -8.367 607 H SER 79 H SER 79 -1.690 0.128 -10.404 608 HA SER 79 HA SER 79 -0.391 -2.140 -9.182 609 1HB SER 79 1HB SER 79 1.734 -0.889 -10.501 610 2HB SER 79 2HB SER 79 1.021 -2.432 -10.925 611 HG SER 79 HG SER 79 -0.411 -1.352 -12.391 612 H VAL 80 H VAL 80 0.869 -1.533 -7.381 613 HA VAL 80 HA VAL 80 1.169 1.361 -6.976 614 HB VAL 80 HB VAL 80 -0.676 0.672 -5.642 615 1HG1 VAL 80 1HG1 VAL 80 -0.805 -1.560 -5.297 616 2HG1 VAL 80 2HG1 VAL 80 0.961 -1.758 -5.204 617 3HG1 VAL 80 3HG1 VAL 80 0.054 -1.178 -3.786 618 1HG2 VAL 80 1HG2 VAL 80 0.584 0.716 -3.254 619 2HG2 VAL 80 2HG2 VAL 80 1.911 1.268 -4.304 620 3HG2 VAL 80 3HG2 VAL 80 0.370 2.157 -4.276 621 H THR 81 H THR 81 3.145 2.032 -6.130 622 HA THR 81 HA THR 81 5.085 -0.134 -5.650 623 HB THR 81 HB THR 81 5.627 2.618 -6.874 624 HG1 THR 81 1HG THR 81 5.183 1.568 -8.820 625 1HG2 THR 81 1HG2 THR 81 7.178 0.004 -6.595 626 2HG2 THR 81 2HG2 THR 81 7.568 1.186 -7.868 627 3HG2 THR 81 3HG2 THR 81 7.708 1.645 -6.154 628 H PHE 82 H PHE 82 6.314 -0.066 -3.829 629 HA PHE 82 HA PHE 82 5.655 2.130 -2.011 630 1HB PHE 82 1HB PHE 82 6.748 -0.728 -1.721 631 2HB PHE 82 2HB PHE 82 6.672 0.373 -0.359 632 HD1 PHE 82 1HD PHE 82 5.178 -2.380 -1.316 633 HD2 PHE 82 2HD PHE 82 4.077 1.674 -0.713 634 HE1 PHE 82 1HE PHE 82 2.810 -3.088 -0.875 635 HE2 PHE 82 2HE PHE 82 1.710 0.965 -0.271 636 HZ PHE 82 HZ PHE 82 1.105 -1.407 -0.358 637 H HIS 83 H HIS 83 7.327 3.192 -0.794 638 HA HIS 83 HA HIS 83 10.045 2.603 -1.633 639 1HB HIS 83 1HB HIS 83 8.746 5.330 -1.880 640 2HB HIS 83 2HB HIS 83 10.470 5.038 -2.001 641 HD1 HIS 83 1HD HIS 83 11.146 3.235 -4.017 642 HD2 HIS 83 2HD HIS 83 7.427 5.159 -4.272 643 HE1 HIS 83 1HE HIS 83 10.395 3.020 -6.446 644 H LEU 84 H LEU 84 11.359 2.520 0.124 645 HA LEU 84 HA LEU 84 10.439 3.974 2.507 646 1HB LEU 84 1HB LEU 84 11.448 1.180 2.165 647 2HB LEU 84 2HB LEU 84 11.794 2.035 3.655 648 HG LEU 84 HG LEU 84 9.090 2.472 3.372 649 1HD1 LEU 84 1HD1 LEU 84 9.732 -0.267 2.261 650 2HD1 LEU 84 2HD1 LEU 84 8.148 0.175 2.941 651 3HD1 LEU 84 3HD1 LEU 84 8.772 1.031 1.511 652 1HD2 LEU 84 1HD2 LEU 84 9.376 1.823 5.476 653 2HD2 LEU 84 2HD2 LEU 84 9.300 0.139 4.905 654 3HD2 LEU 84 3HD2 LEU 84 10.875 0.953 5.071 655 H LYS 85 H LYS 85 12.192 4.697 3.967 656 HA LYS 85 HA LYS 85 14.877 4.571 3.176 657 1HB LYS 85 1HB LYS 85 15.252 6.827 2.367 658 2HB LYS 85 2HB LYS 85 14.137 5.984 1.310 659 1HG LYS 85 1HG LYS 85 12.218 7.076 2.597 660 2HG LYS 85 2HG LYS 85 13.411 8.029 3.458 661 1HD LYS 85 1HD LYS 85 13.760 8.080 0.509 662 2HD LYS 85 2HD LYS 85 12.227 8.740 1.042 663 1HE LYS 85 1HE LYS 85 13.349 10.671 1.477 664 2HE LYS 85 2HE LYS 85 14.031 9.852 2.867 665 1HZ LYS 85 1HZ LYS 85 15.956 10.173 1.862 666 2HZ LYS 85 2HZ LYS 85 15.546 8.997 0.805 667 3HZ LYS 85 3HZ LYS 85 15.280 10.563 0.427 668 H GLU 86 H GLU 86 15.872 4.626 5.111 669 HA GLU 86 HA GLU 86 14.525 5.469 7.387 670 1HB GLU 86 1HB GLU 86 16.685 3.898 6.924 671 2HB GLU 86 2HB GLU 86 17.523 5.358 7.412 672 1HG GLU 86 1HG GLU 86 15.201 4.608 9.134 673 2HG GLU 86 2HG GLU 86 16.537 3.474 9.165 674 H GLU 87 H GLU 87 14.760 7.333 8.727 675 HA GLU 87 HA GLU 87 16.160 9.521 7.395 676 1HB GLU 87 1HB GLU 87 13.386 9.291 8.174 677 2HB GLU 87 2HB GLU 87 14.125 10.556 9.134 678 1HG GLU 87 1HG GLU 87 14.868 10.590 6.244 679 2HG GLU 87 2HG GLU 87 13.174 10.903 6.569 680 H GLU 88 H GLU 88 16.049 11.460 9.395 681 HA GLU 88 HA GLU 88 18.162 10.975 10.914 682 1HB GLU 88 1HB GLU 88 15.735 12.709 11.312 683 2HB GLU 88 2HB GLU 88 16.872 12.587 12.639 684 1HG GLU 88 1HG GLU 88 18.452 12.939 10.285 685 2HG GLU 88 2HG GLU 88 17.125 14.075 10.147 686 H ASN 89 H ASN 89 14.911 10.960 12.533 687 HA ASN 89 HA ASN 89 15.816 8.581 13.949 688 1HB ASN 89 1HB ASN 89 14.633 11.160 15.014 689 2HB ASN 89 2HB ASN 89 14.249 9.668 15.849 690 1HD2 ASN 89 1HD2 ASN 89 16.892 11.679 14.649 691 2HD2 ASN 89 2HD2 ASN 89 18.089 11.208 15.809 692 H GLY 90 H GLY 90 14.400 7.924 11.846 693 1HA GLY 90 1HA GLY 90 12.022 6.802 12.672 694 2HA GLY 90 2HA GLY 90 11.586 8.349 11.976 695 H THR 91 H THR 91 10.589 6.184 10.681 696 HA THR 91 HA THR 91 12.402 5.795 8.391 697 HB THR 91 HB THR 91 10.122 4.074 9.501 698 HG1 THR 91 1HG THR 91 12.156 4.042 10.695 699 1HG2 THR 91 1HG2 THR 91 10.555 2.516 7.785 700 2HG2 THR 91 2HG2 THR 91 10.728 4.046 6.893 701 3HG2 THR 91 3HG2 THR 91 12.175 3.179 7.461 702 H ILE 92 H ILE 92 11.738 6.269 6.327 703 HA ILE 92 HA ILE 92 9.264 7.822 6.221 704 HB ILE 92 HB ILE 92 11.706 7.750 4.451 705 1HG1 ILE 92 1HG1 ILE 92 12.239 8.957 6.393 706 2HG1 ILE 92 2HG1 ILE 92 11.821 10.176 5.205 707 1HG2 ILE 92 1HG2 ILE 92 10.502 8.573 2.784 708 2HG2 ILE 92 2HG2 ILE 92 9.024 8.480 3.771 709 3HG2 ILE 92 3HG2 ILE 92 10.030 9.948 3.811 710 1HD1 ILE 92 1HD1 ILE 92 10.662 10.845 7.174 711 2HD1 ILE 92 2HD1 ILE 92 9.412 10.064 6.176 712 3HD1 ILE 92 3HD1 ILE 92 10.145 9.181 7.537 713 H PHE 93 H PHE 93 7.543 7.235 4.936 714 HA PHE 93 HA PHE 93 7.949 4.861 3.266 715 1HB PHE 93 1HB PHE 93 6.831 4.460 5.567 716 2HB PHE 93 2HB PHE 93 5.550 5.547 5.067 717 HD1 PHE 93 1HD PHE 93 6.442 2.206 5.322 718 HD2 PHE 93 2HD PHE 93 4.504 4.895 2.672 719 HE1 PHE 93 1HE PHE 93 5.225 0.284 4.262 720 HE2 PHE 93 2HE PHE 93 3.286 2.972 1.612 721 HZ PHE 93 HZ PHE 93 3.662 0.690 2.420 722 H THR 94 H THR 94 7.347 5.235 1.188 723 HA THR 94 HA THR 94 5.237 7.243 0.750 724 HB THR 94 HB THR 94 7.755 6.791 -0.934 725 HG1 THR 94 1HG THR 94 8.523 7.953 0.803 726 1HG2 THR 94 1HG2 THR 94 6.290 9.384 -0.943 727 2HG2 THR 94 2HG2 THR 94 6.984 8.475 -2.308 728 3HG2 THR 94 3HG2 THR 94 5.382 8.036 -1.669 729 H ILE 95 H ILE 95 3.602 6.700 -0.608 730 HA ILE 95 HA ILE 95 3.898 4.093 -1.931 731 HB ILE 95 HB ILE 95 2.384 3.615 -0.293 732 1HG1 ILE 95 1HG1 ILE 95 1.460 3.292 -2.644 733 2HG1 ILE 95 2HG1 ILE 95 0.309 3.251 -1.323 734 1HG2 ILE 95 1HG2 ILE 95 2.019 5.478 0.967 735 2HG2 ILE 95 2HG2 ILE 95 1.670 6.508 -0.442 736 3HG2 ILE 95 3HG2 ILE 95 0.439 5.368 0.154 737 1HD1 ILE 95 1HD1 ILE 95 0.308 4.983 -3.605 738 2HD1 ILE 95 2HD1 ILE 95 -0.849 4.956 -2.252 739 3HD1 ILE 95 3HD1 ILE 95 0.593 5.997 -2.170 740 H VAL 96 H VAL 96 3.177 3.913 -4.070 741 HA VAL 96 HA VAL 96 2.174 6.401 -5.255 742 HB VAL 96 HB VAL 96 4.360 4.613 -6.338 743 1HG1 VAL 96 1HG1 VAL 96 4.367 5.828 -8.309 744 2HG1 VAL 96 2HG1 VAL 96 2.626 5.749 -7.949 745 3HG1 VAL 96 3HG1 VAL 96 3.545 7.227 -7.578 746 1HG2 VAL 96 1HG2 VAL 96 4.357 7.220 -4.883 747 2HG2 VAL 96 2HG2 VAL 96 5.536 5.887 -4.848 748 3HG2 VAL 96 3HG2 VAL 96 5.515 7.020 -6.220 749 H HIS 97 H HIS 97 0.179 5.997 -6.044 750 HA HIS 97 HA HIS 97 -0.263 3.314 -7.138 751 1HB HIS 97 1HB HIS 97 -1.483 4.105 -4.961 752 2HB HIS 97 2HB HIS 97 -2.477 5.041 -6.059 753 HD1 HIS 97 1HD HIS 97 -4.522 3.513 -5.333 754 HD2 HIS 97 2HD HIS 97 -1.444 1.526 -7.376 755 HE1 HIS 97 1HE HIS 97 -5.480 1.261 -6.055 756 H SER 98 H SER 98 -0.451 3.313 -9.316 757 HA SER 98 HA SER 98 -1.560 5.739 -10.498 758 1HB SER 98 1HB SER 98 0.532 3.871 -11.701 759 2HB SER 98 2HB SER 98 -0.134 5.287 -12.488 760 HG SER 98 HG SER 98 1.341 5.312 -9.992 761 H GLY 99 H GLY 99 -2.551 5.265 -12.771 762 1HA GLY 99 1HA GLY 99 -3.426 3.517 -14.205 763 2HA GLY 99 2HA GLY 99 -3.798 2.582 -12.770 764 H TRP 100 H TRP 100 -4.308 6.080 -13.636 765 HA TRP 100 HA TRP 100 -7.184 5.615 -13.309 766 1HB TRP 100 1HB TRP 100 -5.672 7.941 -12.108 767 2HB TRP 100 2HB TRP 100 -7.404 7.679 -12.050 768 HD1 TRP 100 HD TRP 100 -4.152 6.051 -10.661 769 HE1 TRP 100 1HE TRP 100 -4.644 4.752 -8.417 770 HE3 TRP 100 3HE TRP 100 -9.194 6.704 -10.774 771 HZ2 TRP 100 2HZ TRP 100 -7.033 4.156 -6.974 772 HZ3 TRP 100 3HZ TRP 100 -10.533 5.731 -8.910 773 HH2 TRP 100 HH TRP 100 -9.531 4.494 -7.055 774 H LYS 101 H LYS 101 -8.489 7.096 -14.594 775 HA LYS 101 HA LYS 101 -6.905 8.476 -16.649 776 1HB LYS 101 1HB LYS 101 -9.599 7.139 -17.025 777 2HB LYS 101 2HB LYS 101 -8.621 7.903 -18.262 778 1HG LYS 101 1HG LYS 101 -6.783 6.236 -17.796 779 2HG LYS 101 2HG LYS 101 -7.824 5.447 -16.627 780 1HD LYS 101 1HD LYS 101 -8.698 4.212 -18.314 781 2HD LYS 101 2HD LYS 101 -9.415 5.674 -18.962 782 1HE LYS 101 1HE LYS 101 -8.096 5.391 -20.791 783 2HE LYS 101 2HE LYS 101 -6.736 5.856 -19.789 784 1HZ LYS 101 1HZ LYS 101 -5.992 3.802 -19.888 785 2HZ LYS 101 2HZ LYS 101 -7.390 3.172 -19.325 786 3HZ LYS 101 3HZ LYS 101 -7.187 3.408 -20.928 787 H GLN 102 H GLN 102 -9.019 9.861 -17.883 788 HA GLN 102 HA GLN 102 -9.147 12.104 -16.385 789 1HB GLN 102 1HB GLN 102 -9.691 12.282 -18.686 790 2HB GLN 102 2HB GLN 102 -10.905 11.022 -18.600 791 1HG GLN 102 1HG GLN 102 -12.339 12.504 -17.177 792 2HG GLN 102 2HG GLN 102 -11.126 13.765 -17.272 793 1HE2 GLN 102 1HE2 GLN 102 -13.704 12.125 -18.834 794 2HE2 GLN 102 2HE2 GLN 102 -13.788 13.065 -20.287 795 H GLY 103 H GLY 103 -10.962 13.185 -15.233 796 1HA GLY 103 1HA GLY 103 -12.262 11.328 -13.433 797 2HA GLY 103 2HA GLY 103 -12.234 13.078 -13.338 798 H ASP 104 H ASP 104 -13.652 10.315 -15.190 799 HA ASP 104 HA ASP 104 -16.207 11.314 -15.009 800 1HB ASP 104 1HB ASP 104 -14.667 12.552 -17.101 801 2HB ASP 104 2HB ASP 104 -15.812 11.476 -17.878 802 H THR 105 H THR 105 -13.735 9.557 -16.953 803 HA THR 105 HA THR 105 -15.465 7.724 -18.189 804 HB THR 105 HB THR 105 -13.325 6.509 -18.608 805 HG1 THR 105 1HG THR 105 -11.805 6.790 -17.025 806 1HG2 THR 105 1HG2 THR 105 -13.679 9.380 -19.090 807 2HG2 THR 105 2HG2 THR 105 -11.959 8.991 -18.842 808 3HG2 THR 105 3HG2 THR 105 -12.883 8.167 -20.121 809 H LYS 106 H LYS 106 -17.031 6.987 -16.718 810 HA LYS 106 HA LYS 106 -16.651 6.047 -14.214 811 1HB LYS 106 1HB LYS 106 -18.837 6.284 -15.235 812 2HB LYS 106 2HB LYS 106 -18.499 4.997 -16.375 813 1HG LYS 106 1HG LYS 106 -18.337 3.351 -14.543 814 2HG LYS 106 2HG LYS 106 -18.510 4.617 -13.344 815 1HD LYS 106 1HD LYS 106 -20.723 3.962 -13.433 816 2HD LYS 106 2HD LYS 106 -20.765 5.125 -14.742 817 1HE LYS 106 1HE LYS 106 -20.429 3.340 -16.410 818 2HE LYS 106 2HE LYS 106 -20.205 2.149 -15.144 819 1HZ LYS 106 1HZ LYS 106 -22.666 3.690 -15.595 820 2HZ LYS 106 2HZ LYS 106 -22.438 2.123 -15.995 821 3HZ LYS 106 3HZ LYS 106 -22.456 2.571 -14.425 822 H VAL 107 H VAL 107 -16.260 3.955 -13.253 823 HA VAL 107 HA VAL 107 -14.337 2.442 -14.830 824 HB VAL 107 HB VAL 107 -15.043 2.227 -11.900 825 1HG1 VAL 107 1HG1 VAL 107 -13.887 0.275 -12.492 826 2HG1 VAL 107 2HG1 VAL 107 -12.814 1.137 -13.621 827 3HG1 VAL 107 3HG1 VAL 107 -12.613 1.348 -11.865 828 1HG2 VAL 107 1HG2 VAL 107 -13.247 3.720 -11.392 829 2HG2 VAL 107 2HG2 VAL 107 -12.732 3.785 -13.094 830 3HG2 VAL 107 3HG2 VAL 107 -14.272 4.529 -12.601 831 H GLU 108 H GLU 108 -14.400 -0.034 -14.478 832 HA GLU 108 HA GLU 108 -17.172 -0.817 -14.866 833 1HB GLU 108 1HB GLU 108 -15.297 -1.230 -16.631 834 2HB GLU 108 2HB GLU 108 -14.740 -2.498 -15.558 835 1HG GLU 108 1HG GLU 108 -17.293 -3.260 -15.601 836 2HG GLU 108 2HG GLU 108 -17.353 -2.314 -17.076 837 H LYS 109 H LYS 109 -14.081 -1.949 -13.325 838 HA LYS 109 HA LYS 109 -15.108 -4.086 -11.947 839 1HB LYS 109 1HB LYS 109 -12.728 -3.634 -12.161 840 2HB LYS 109 2HB LYS 109 -12.873 -2.184 -11.189 841 1HG LYS 109 1HG LYS 109 -12.712 -3.381 -9.269 842 2HG LYS 109 2HG LYS 109 -14.059 -4.400 -9.737 843 1HD LYS 109 1HD LYS 109 -11.996 -5.322 -11.386 844 2HD LYS 109 2HD LYS 109 -11.153 -4.936 -9.899 845 1HE LYS 109 1HE LYS 109 -11.918 -6.864 -8.984 846 2HE LYS 109 2HE LYS 109 -13.558 -6.256 -9.105 847 1HZ LYS 109 1HZ LYS 109 -13.943 -7.566 -10.827 848 2HZ LYS 109 2HZ LYS 109 -12.554 -7.180 -11.594 849 3HZ LYS 109 3HZ LYS 109 -12.561 -8.354 -10.460 850 H ALA 110 H ALA 110 -14.250 -1.056 -10.177 851 HA ALA 110 HA ALA 110 -15.756 -1.452 -7.991 852 1HB ALA 110 1HB ALA 110 -14.751 0.918 -9.485 853 2HB ALA 110 2HB ALA 110 -16.025 1.240 -8.285 854 3HB ALA 110 3HB ALA 110 -14.510 0.450 -7.785 855 H GLY 111 H GLY 111 -16.998 0.960 -10.373 856 1HA GLY 111 1HA GLY 111 -19.179 0.058 -11.447 857 2HA GLY 111 2HA GLY 111 -19.713 0.005 -9.778 858 H ALA 112 H ALA 112 -18.292 2.345 -8.795 859 HA ALA 112 HA ALA 112 -20.075 4.352 -9.863 860 1HB ALA 112 1HB ALA 112 -18.007 4.687 -7.670 861 2HB ALA 112 2HB ALA 112 -19.533 5.573 -7.903 862 3HB ALA 112 3HB ALA 112 -19.563 3.872 -7.380 863 H GLU 113 H GLU 113 -18.960 6.690 -9.981 864 HA GLU 113 HA GLU 113 -17.402 6.643 -12.230 865 1HB GLU 113 1HB GLU 113 -17.711 8.825 -10.122 866 2HB GLU 113 2HB GLU 113 -16.974 9.080 -11.691 867 1HG GLU 113 1HG GLU 113 -19.037 9.451 -12.551 868 2HG GLU 113 2HG GLU 113 -19.428 7.769 -12.249 869 H SER 114 H SER 114 -15.123 7.487 -12.517 870 HA SER 114 HA SER 114 -13.405 5.990 -10.901 871 1HB SER 114 1HB SER 114 -13.097 6.667 -13.358 872 2HB SER 114 2HB SER 114 -12.623 8.254 -12.784 873 HG SER 114 HG SER 114 -11.216 6.389 -11.378 874 H ALA 115 H ALA 115 -14.393 9.434 -11.012 875 HA ALA 115 HA ALA 115 -12.387 10.416 -9.313 876 1HB ALA 115 1HB ALA 115 -15.150 11.603 -9.406 877 2HB ALA 115 2HB ALA 115 -13.564 12.410 -9.454 878 3HB ALA 115 3HB ALA 115 -14.179 11.568 -10.897 879 H VAL 116 H VAL 116 -15.570 8.863 -8.765 880 HA VAL 116 HA VAL 116 -15.772 9.492 -6.045 881 HB VAL 116 HB VAL 116 -16.900 7.329 -7.811 882 1HG1 VAL 116 1HG1 VAL 116 -18.500 7.370 -5.546 883 2HG1 VAL 116 2HG1 VAL 116 -17.328 6.104 -5.983 884 3HG1 VAL 116 3HG1 VAL 116 -16.848 7.420 -4.885 885 1HG2 VAL 116 1HG2 VAL 116 -19.009 8.593 -7.440 886 2HG2 VAL 116 2HG2 VAL 116 -18.094 9.794 -6.499 887 3HG2 VAL 116 3HG2 VAL 116 -17.744 9.565 -8.229 888 H VAL 117 H VAL 117 -14.557 6.505 -7.724 889 HA VAL 117 HA VAL 117 -13.731 5.255 -5.361 890 HB VAL 117 HB VAL 117 -12.769 4.933 -8.211 891 1HG1 VAL 117 1HG1 VAL 117 -11.617 3.065 -7.616 892 2HG1 VAL 117 2HG1 VAL 117 -11.512 3.912 -6.054 893 3HG1 VAL 117 3HG1 VAL 117 -12.743 2.651 -6.302 894 1HG2 VAL 117 1HG2 VAL 117 -14.458 2.811 -7.546 895 2HG2 VAL 117 2HG2 VAL 117 -15.271 4.249 -6.883 896 3HG2 VAL 117 3HG2 VAL 117 -14.840 4.187 -8.609 897 H HIS 118 H HIS 118 -12.047 7.411 -7.716 898 HA HIS 118 HA HIS 118 -9.505 7.191 -6.810 899 1HB HIS 118 1HB HIS 118 -9.921 8.482 -8.732 900 2HB HIS 118 2HB HIS 118 -11.070 9.519 -7.910 901 HD1 HIS 118 1HD HIS 118 -7.333 8.873 -8.166 902 HD2 HIS 118 2HD HIS 118 -9.981 11.754 -6.655 903 HE1 HIS 118 1HE HIS 118 -5.904 10.880 -7.504 904 H GLU 119 H GLU 119 -12.081 9.406 -5.529 905 HA GLU 119 HA GLU 119 -10.429 10.388 -3.496 906 1HB GLU 119 1HB GLU 119 -13.459 10.367 -3.826 907 2HB GLU 119 2HB GLU 119 -12.638 11.225 -2.537 908 1HG GLU 119 1HG GLU 119 -11.362 12.557 -4.211 909 2HG GLU 119 2HG GLU 119 -12.129 11.674 -5.517 910 H ARG 120 H ARG 120 -13.034 7.869 -3.583 911 HA ARG 120 HA ARG 120 -13.083 7.298 -0.932 912 1HB ARG 120 1HB ARG 120 -13.929 6.033 -3.421 913 2HB ARG 120 2HB ARG 120 -13.341 4.803 -2.320 914 1HG ARG 120 1HG ARG 120 -14.881 6.472 -0.664 915 2HG ARG 120 2HG ARG 120 -15.791 6.438 -2.161 916 1HD ARG 120 1HD ARG 120 -16.630 4.550 -1.011 917 2HD ARG 120 2HD ARG 120 -15.441 3.839 -2.085 918 HE ARG 120 HE ARG 120 -14.231 4.590 0.442 919 1HH1 ARG 120 2HH2 ARG 120 -16.230 2.129 -1.083 920 2HH1 ARG 120 1HH2 ARG 120 -15.772 0.884 0.031 921 1HH2 ARG 120 2HH1 ARG 120 -13.625 2.949 1.912 922 2HH2 ARG 120 1HH1 ARG 120 -14.280 1.354 1.746 923 H MET 121 H MET 121 -11.275 5.397 -3.471 924 HA MET 121 HA MET 121 -9.871 3.845 -1.718 925 1HB MET 121 1HB MET 121 -9.734 4.652 -4.570 926 2HB MET 121 2HB MET 121 -8.152 4.263 -3.925 927 1HG MET 121 1HG MET 121 -10.427 2.375 -3.308 928 2HG MET 121 2HG MET 121 -9.767 2.360 -4.931 929 1HE MET 121 1HE MET 121 -8.967 0.504 -5.249 930 2HE MET 121 2HE MET 121 -7.188 0.511 -5.182 931 3HE MET 121 3HE MET 121 -8.114 -0.593 -4.136 932 H ASP 122 H ASP 122 -8.910 6.998 -3.234 933 HA ASP 122 HA ASP 122 -6.387 7.156 -2.297 934 1HB ASP 122 1HB ASP 122 -7.272 8.845 -3.787 935 2HB ASP 122 2HB ASP 122 -8.528 9.291 -2.650 936 H ARG 123 H ARG 123 -9.434 8.406 -0.727 937 HA ARG 123 HA ARG 123 -8.386 9.437 1.511 938 1HB ARG 123 1HB ARG 123 -10.991 8.091 0.841 939 2HB ARG 123 2HB ARG 123 -10.673 8.356 2.543 940 1HG ARG 123 1HG ARG 123 -10.187 10.794 2.014 941 2HG ARG 123 2HG ARG 123 -10.667 10.489 0.356 942 1HD ARG 123 1HD ARG 123 -12.858 9.468 1.589 943 2HD ARG 123 2HD ARG 123 -12.367 10.595 2.838 944 HE ARG 123 HE ARG 123 -12.285 11.936 0.303 945 1HH1 ARG 123 2HH2 ARG 123 -14.601 10.642 2.615 946 2HH1 ARG 123 1HH2 ARG 123 -15.858 11.746 2.167 947 1HH2 ARG 123 2HH1 ARG 123 -13.943 13.393 -0.288 948 2HH2 ARG 123 1HH1 ARG 123 -15.481 13.321 0.504 949 H GLY 124 H GLY 124 -9.694 6.042 1.223 950 1HA GLY 124 1HA GLY 124 -8.794 5.146 3.711 951 2HA GLY 124 2HA GLY 124 -9.193 4.150 2.325 952 H TRP 125 H TRP 125 -7.132 5.569 0.586 953 HA TRP 125 HA TRP 125 -5.022 3.791 1.021 954 1HB TRP 125 1HB TRP 125 -5.753 5.857 -0.863 955 2HB TRP 125 2HB TRP 125 -4.046 5.955 -0.478 956 HD1 TRP 125 HD TRP 125 -6.180 4.297 -2.903 957 HE1 TRP 125 1HE TRP 125 -5.111 2.165 -4.033 958 HE3 TRP 125 3HE TRP 125 -2.442 3.721 0.496 959 HZ2 TRP 125 2HZ TRP 125 -2.873 0.514 -3.392 960 HZ3 TRP 125 3HZ TRP 125 -0.859 1.824 0.171 961 HH2 TRP 125 HH TRP 125 -1.029 0.251 -1.692 962 H HIS 126 H HIS 126 -5.292 7.382 1.565 963 HA HIS 126 HA HIS 126 -2.807 7.583 2.821 964 1HB HIS 126 1HB HIS 126 -4.348 9.387 1.772 965 2HB HIS 126 2HB HIS 126 -5.128 9.435 3.340 966 HD1 HIS 126 1HD HIS 126 -4.285 11.889 3.710 967 HD2 HIS 126 2HD HIS 126 -1.233 9.040 3.309 968 HE1 HIS 126 1HE HIS 126 -2.136 13.032 4.473 969 H ASP 127 H ASP 127 -6.174 7.323 4.147 970 HA ASP 127 HA ASP 127 -5.518 7.478 6.780 971 1HB ASP 127 1HB ASP 127 -7.612 5.581 5.633 972 2HB ASP 127 2HB ASP 127 -7.638 6.342 7.211 973 H LEU 128 H LEU 128 -5.499 4.683 4.493 974 HA LEU 128 HA LEU 128 -5.058 2.669 6.367 975 1HB LEU 128 1HB LEU 128 -5.802 2.115 4.199 976 2HB LEU 128 2HB LEU 128 -4.466 2.949 3.430 977 HG LEU 128 HG LEU 128 -2.917 1.233 4.466 978 1HD1 LEU 128 1HD1 LEU 128 -4.649 -0.938 4.776 979 2HD1 LEU 128 2HD1 LEU 128 -3.737 -0.092 6.049 980 3HD1 LEU 128 3HD1 LEU 128 -5.410 0.392 5.683 981 1HD2 LEU 128 1HD2 LEU 128 -3.961 1.263 2.080 982 2HD2 LEU 128 2HD2 LEU 128 -3.116 -0.192 2.658 983 3HD2 LEU 128 3HD2 LEU 128 -4.895 -0.135 2.666 984 H VAL 129 H VAL 129 -2.703 4.536 4.325 985 HA VAL 129 HA VAL 129 -0.548 3.472 5.955 986 HB VAL 129 HB VAL 129 -0.430 3.543 3.479 987 1HG1 VAL 129 1HG1 VAL 129 -1.491 6.075 3.710 988 2HG1 VAL 129 2HG1 VAL 129 0.221 6.407 3.353 989 3HG1 VAL 129 3HG1 VAL 129 -0.739 5.396 2.246 990 1HG2 VAL 129 1HG2 VAL 129 1.817 5.189 3.750 991 2HG2 VAL 129 2HG2 VAL 129 1.548 4.517 5.376 992 3HG2 VAL 129 3HG2 VAL 129 1.744 3.426 3.983 993 H ASN 130 H ASN 130 -2.397 5.044 7.413 994 HA ASN 130 HA ASN 130 -0.800 7.454 7.802 995 1HB ASN 130 1HB ASN 130 -3.654 7.125 7.398 996 2HB ASN 130 2HB ASN 130 -3.407 7.707 9.032 997 1HD2 ASN 130 1HD2 ASN 130 -2.097 8.226 5.757 998 2HD2 ASN 130 2HD2 ASN 130 -2.046 9.957 5.813 999 H GLU 131 H GLU 131 -3.357 5.502 9.534 1000 HA GLU 131 HA GLU 131 -1.529 5.413 11.807 1001 1HB GLU 131 1HB GLU 131 -3.634 5.343 13.239 1002 2HB GLU 131 2HB GLU 131 -3.327 6.870 12.437 1003 1HG GLU 131 1HG GLU 131 -5.286 6.743 11.298 1004 2HG GLU 131 2HG GLU 131 -4.877 5.161 10.666 1005 H ARG 132 H ARG 132 -3.936 3.762 9.755 1006 HA ARG 132 HA ARG 132 -4.231 1.473 11.217 1007 1HB ARG 132 1HB ARG 132 -4.135 1.743 8.169 1008 2HB ARG 132 2HB ARG 132 -4.869 0.412 9.041 1009 1HG ARG 132 1HG ARG 132 -5.806 3.134 9.849 1010 2HG ARG 132 2HG ARG 132 -6.236 2.650 8.221 1011 1HD ARG 132 1HD ARG 132 -6.722 0.375 9.902 1012 2HD ARG 132 2HD ARG 132 -7.388 1.764 10.737 1013 HE ARG 132 HE ARG 132 -8.131 1.888 7.962 1014 1HH1 ARG 132 2HH2 ARG 132 -8.840 0.087 10.901 1015 2HH1 ARG 132 1HH2 ARG 132 -10.452 -0.322 10.414 1016 1HH2 ARG 132 2HH1 ARG 132 -10.257 1.349 7.319 1017 2HH2 ARG 132 1HH1 ARG 132 -11.263 0.400 8.363 1018 H LEU 133 H LEU 133 -1.647 2.512 8.954 1019 HA LEU 133 HA LEU 133 -0.358 -0.074 9.111 1020 1HB LEU 133 1HB LEU 133 -0.269 0.849 6.983 1021 2HB LEU 133 2HB LEU 133 0.084 2.461 7.576 1022 HG LEU 133 HG LEU 133 2.354 1.788 8.176 1023 1HD1 LEU 133 1HD1 LEU 133 2.743 -0.675 6.909 1024 2HD1 LEU 133 2HD1 LEU 133 2.774 -0.339 8.657 1025 3HD1 LEU 133 3HD1 LEU 133 1.266 -0.880 7.882 1026 1HD2 LEU 133 1HD2 LEU 133 1.564 2.459 5.766 1027 2HD2 LEU 133 2HD2 LEU 133 3.230 1.901 6.053 1028 3HD2 LEU 133 3HD2 LEU 133 2.023 0.785 5.372 1029 H ARG 134 H ARG 134 0.062 3.306 10.278 1030 HA ARG 134 HA ARG 134 2.546 3.035 11.341 1031 1HB ARG 134 1HB ARG 134 1.101 5.143 11.192 1032 2HB ARG 134 2HB ARG 134 0.238 4.590 12.613 1033 1HG ARG 134 1HG ARG 134 2.839 4.358 13.491 1034 2HG ARG 134 2HG ARG 134 2.998 5.708 12.384 1035 1HD ARG 134 1HD ARG 134 0.635 6.300 13.793 1036 2HD ARG 134 2HD ARG 134 1.673 5.601 15.019 1037 HE ARG 134 HE ARG 134 3.115 7.451 14.844 1038 1HH1 ARG 134 2HH2 ARG 134 0.860 7.445 12.144 1039 2HH1 ARG 134 1HH2 ARG 134 1.306 9.028 11.602 1040 1HH2 ARG 134 2HH1 ARG 134 3.705 9.540 14.130 1041 2HH2 ARG 134 1HH1 ARG 134 2.936 10.228 12.739 1042 H GLN 135 H GLN 135 -0.623 1.920 12.559 1043 HA GLN 135 HA GLN 135 0.160 1.457 15.183 1044 1HB GLN 135 1HB GLN 135 -2.186 1.217 13.670 1045 2HB GLN 135 2HB GLN 135 -1.846 -0.435 14.144 1046 1HG GLN 135 1HG GLN 135 -1.635 0.303 16.534 1047 2HG GLN 135 2HG GLN 135 -2.001 1.947 16.052 1048 1HE2 GLN 135 1HE2 GLN 135 -3.826 2.030 17.325 1049 2HE2 GLN 135 2HE2 GLN 135 -5.305 1.220 16.931 1050 H ILE 136 H ILE 136 0.642 -0.336 12.165 1051 HA ILE 136 HA ILE 136 1.142 -2.855 13.257 1052 HB ILE 136 HB ILE 136 2.212 -1.559 10.748 1053 1HG1 ILE 136 1HG1 ILE 136 -0.154 -1.485 10.652 1054 2HG1 ILE 136 2HG1 ILE 136 0.341 -2.848 9.669 1055 1HG2 ILE 136 1HG2 ILE 136 2.132 -4.156 10.129 1056 2HG2 ILE 136 2HG2 ILE 136 3.569 -3.376 10.832 1057 3HG2 ILE 136 3HG2 ILE 136 2.461 -4.302 11.873 1058 1HD1 ILE 136 1HD1 ILE 136 -1.419 -3.755 10.947 1059 2HD1 ILE 136 2HD1 ILE 136 0.017 -4.258 11.871 1060 3HD1 ILE 136 3HD1 ILE 136 -0.944 -2.861 12.411 1061 H VAL 137 H VAL 137 2.954 0.141 13.312 1062 HA VAL 137 HA VAL 137 5.300 -1.345 14.268 1063 HB VAL 137 HB VAL 137 6.525 0.762 13.742 1064 1HG1 VAL 137 1HG1 VAL 137 5.966 0.426 11.102 1065 2HG1 VAL 137 2HG1 VAL 137 6.987 -0.675 12.057 1066 3HG1 VAL 137 3HG1 VAL 137 5.274 -1.068 11.778 1067 1HG2 VAL 137 1HG2 VAL 137 4.528 2.262 13.819 1068 2HG2 VAL 137 2HG2 VAL 137 5.519 2.462 12.354 1069 3HG2 VAL 137 3HG2 VAL 137 3.988 1.557 12.276 1070 H GLU 138 H GLU 138 2.850 1.151 14.939 1071 HA GLU 138 HA GLU 138 4.152 1.803 17.420 1072 1HB GLU 138 1HB GLU 138 1.881 2.912 15.805 1073 2HB GLU 138 2HB GLU 138 1.813 3.174 17.537 1074 1HG GLU 138 1HG GLU 138 4.516 3.688 16.546 1075 2HG GLU 138 2HG GLU 138 3.350 4.629 15.637 Start of MODEL 5 1 1H MET 1 H MET 1 1.501 10.271 -18.891 2 HA MET 1 HA MET 1 1.921 12.413 -18.831 3 1HB MET 1 1HB MET 1 2.423 11.775 -21.557 4 2HB MET 1 2HB MET 1 1.385 13.185 -21.633 5 1HG MET 1 1HG MET 1 3.917 13.027 -19.927 6 2HG MET 1 2HG MET 1 3.863 13.728 -21.532 7 1HE MET 1 1HE MET 1 3.047 16.437 -21.870 8 2HE MET 1 2HE MET 1 1.810 15.190 -22.159 9 3HE MET 1 3HE MET 1 1.408 16.640 -21.207 10 H THR 2 H THR 2 -0.768 11.270 -18.541 11 HA THR 2 HA THR 2 -2.242 13.672 -18.443 12 HB THR 2 HB THR 2 -2.247 13.037 -20.973 13 HG1 THR 2 1HG THR 2 -4.053 14.278 -20.682 14 1HG2 THR 2 1HG2 THR 2 -3.301 11.118 -21.664 15 2HG2 THR 2 2HG2 THR 2 -3.074 10.537 -19.997 16 3HG2 THR 2 3HG2 THR 2 -4.602 11.320 -20.467 17 H ARG 3 H ARG 3 -4.865 12.375 -18.650 18 HA ARG 3 HA ARG 3 -6.256 11.275 -17.417 19 1HB ARG 3 1HB ARG 3 -3.886 9.473 -17.408 20 2HB ARG 3 2HB ARG 3 -4.977 9.203 -16.064 21 1HG ARG 3 1HG ARG 3 -6.881 9.235 -17.871 22 2HG ARG 3 2HG ARG 3 -5.588 9.035 -19.037 23 1HD ARG 3 1HD ARG 3 -5.553 7.182 -16.670 24 2HD ARG 3 2HD ARG 3 -6.831 6.930 -17.842 25 HE ARG 3 HE ARG 3 -4.142 7.235 -19.009 26 1HH1 ARG 3 2HH2 ARG 3 -6.576 4.997 -17.806 27 2HH1 ARG 3 1HH2 ARG 3 -5.932 3.636 -18.663 28 1HH2 ARG 3 2HH1 ARG 3 -3.292 5.440 -20.140 29 2HH2 ARG 3 1HH1 ARG 3 -4.052 3.890 -19.999 30 H LEU 4 H LEU 4 -6.531 10.316 -14.935 31 HA LEU 4 HA LEU 4 -6.175 12.475 -13.264 32 1HB LEU 4 1HB LEU 4 -6.605 9.549 -12.661 33 2HB LEU 4 2HB LEU 4 -6.662 10.809 -11.445 34 HG LEU 4 HG LEU 4 -8.435 10.893 -13.887 35 1HD1 LEU 4 1HD1 LEU 4 -8.969 9.472 -11.266 36 2HD1 LEU 4 2HD1 LEU 4 -10.215 9.873 -12.473 37 3HD1 LEU 4 3HD1 LEU 4 -8.894 8.757 -12.894 38 1HD2 LEU 4 1HD2 LEU 4 -9.852 12.075 -11.955 39 2HD2 LEU 4 2HD2 LEU 4 -8.218 12.392 -11.325 40 3HD2 LEU 4 3HD2 LEU 4 -8.667 12.949 -12.955 41 HA PRO 5 HA PRO 5 -2.099 12.192 -11.880 42 1HB PRO 5 1HB PRO 5 -2.248 13.326 -9.398 43 2HB PRO 5 2HB PRO 5 -2.206 14.262 -10.879 44 1HG PRO 5 1HG PRO 5 -4.503 13.703 -9.104 45 2HG PRO 5 2HG PRO 5 -4.335 14.953 -10.321 46 1HD PRO 5 1HD PRO 5 -5.834 12.518 -10.556 47 2HD PRO 5 2HD PRO 5 -5.570 13.712 -11.811 48 H ASP 6 H ASP 6 -0.508 11.127 -10.587 49 HA ASP 6 HA ASP 6 -1.459 8.626 -9.815 50 1HB ASP 6 1HB ASP 6 0.895 8.381 -8.848 51 2HB ASP 6 2HB ASP 6 0.817 8.800 -10.547 52 H ILE 7 H ILE 7 -1.962 7.812 -7.717 53 HA ILE 7 HA ILE 7 -2.471 9.790 -5.708 54 HB ILE 7 HB ILE 7 -2.973 6.846 -6.000 55 1HG1 ILE 7 1HG1 ILE 7 -4.907 9.122 -5.510 56 2HG1 ILE 7 2HG1 ILE 7 -4.409 8.625 -7.115 57 1HG2 ILE 7 1HG2 ILE 7 -2.828 8.411 -3.497 58 2HG2 ILE 7 2HG2 ILE 7 -4.304 7.439 -3.716 59 3HG2 ILE 7 3HG2 ILE 7 -2.706 6.656 -3.774 60 1HD1 ILE 7 1HD1 ILE 7 -5.349 6.467 -5.243 61 2HD1 ILE 7 2HD1 ILE 7 -6.571 7.570 -5.920 62 3HD1 ILE 7 3HD1 ILE 7 -5.545 6.602 -7.007 63 H LYS 8 H LYS 8 -0.046 10.383 -5.734 64 HA LYS 8 HA LYS 8 1.612 8.492 -4.313 65 1HB LYS 8 1HB LYS 8 2.767 9.607 -6.011 66 2HB LYS 8 2HB LYS 8 2.044 11.159 -5.638 67 1HG LYS 8 1HG LYS 8 3.262 11.093 -3.390 68 2HG LYS 8 2HG LYS 8 4.096 9.656 -3.949 69 1HD LYS 8 1HD LYS 8 4.940 10.970 -5.941 70 2HD LYS 8 2HD LYS 8 4.181 12.405 -5.280 71 1HE LYS 8 1HE LYS 8 5.568 11.828 -3.099 72 2HE LYS 8 2HE LYS 8 6.531 10.834 -4.174 73 1HZ LYS 8 1HZ LYS 8 7.143 13.273 -3.846 74 2HZ LYS 8 2HZ LYS 8 7.201 12.660 -5.358 75 3HZ LYS 8 3HZ LYS 8 5.942 13.595 -4.904 76 H LYS 9 H LYS 9 1.710 8.349 -2.140 77 HA LYS 9 HA LYS 9 1.045 10.770 -0.625 78 1HB LYS 9 1HB LYS 9 -0.372 8.227 -0.664 79 2HB LYS 9 2HB LYS 9 0.213 8.605 0.943 80 1HG LYS 9 1HG LYS 9 -1.858 9.719 0.908 81 2HG LYS 9 2HG LYS 9 -0.748 11.011 0.494 82 1HD LYS 9 1HD LYS 9 -1.245 10.762 -1.895 83 2HD LYS 9 2HD LYS 9 -2.193 9.318 -1.596 84 1HE LYS 9 1HE LYS 9 -3.737 11.179 -1.883 85 2HE LYS 9 2HE LYS 9 -3.788 10.695 -0.199 86 1HZ LYS 9 1HZ LYS 9 -3.397 12.838 0.153 87 2HZ LYS 9 2HZ LYS 9 -1.837 12.509 -0.201 88 3HZ LYS 9 3HZ LYS 9 -2.823 13.123 -1.349 89 H GLU 10 H GLU 10 1.891 10.599 1.701 90 HA GLU 10 HA GLU 10 4.075 8.776 1.996 91 1HB GLU 10 1HB GLU 10 5.059 10.680 0.683 92 2HB GLU 10 2HB GLU 10 4.603 11.780 1.969 93 1HG GLU 10 1HG GLU 10 6.158 9.374 2.831 94 2HG GLU 10 2HG GLU 10 7.034 10.515 1.830 95 H VAL 11 H VAL 11 4.610 8.439 4.197 96 HA VAL 11 HA VAL 11 3.321 10.216 6.123 97 HB VAL 11 HB VAL 11 2.443 8.306 7.357 98 1HG1 VAL 11 1HG1 VAL 11 1.341 9.477 5.145 99 2HG1 VAL 11 2HG1 VAL 11 1.240 7.752 4.717 100 3HG1 VAL 11 3HG1 VAL 11 0.493 8.341 6.222 101 1HG2 VAL 11 1HG2 VAL 11 2.416 6.062 6.457 102 2HG2 VAL 11 2HG2 VAL 11 3.244 6.601 4.977 103 3HG2 VAL 11 3HG2 VAL 11 4.101 6.632 6.537 104 H ARG 12 H ARG 12 4.218 9.883 8.359 105 HA ARG 12 HA ARG 12 6.887 8.739 8.186 106 1HB ARG 12 1HB ARG 12 7.043 11.218 8.121 107 2HB ARG 12 2HB ARG 12 6.061 11.342 9.567 108 1HG ARG 12 1HG ARG 12 7.948 9.740 10.596 109 2HG ARG 12 2HG ARG 12 8.915 10.390 9.287 110 1HD ARG 12 1HD ARG 12 9.000 12.509 10.210 111 2HD ARG 12 2HD ARG 12 7.363 12.426 10.828 112 HE ARG 12 HE ARG 12 9.232 10.621 12.197 113 1HH1 ARG 12 2HH2 ARG 12 7.845 13.854 12.132 114 2HH1 ARG 12 1HH2 ARG 12 8.181 14.171 13.801 115 1HH2 ARG 12 2HH1 ARG 12 9.675 11.038 14.400 116 2HH2 ARG 12 1HH1 ARG 12 9.229 12.558 15.100 117 H PHE 13 H PHE 13 7.435 7.382 9.911 118 HA PHE 13 HA PHE 13 5.736 7.523 12.287 119 1HB PHE 13 1HB PHE 13 6.625 5.017 10.736 120 2HB PHE 13 2HB PHE 13 5.645 5.002 12.188 121 HD1 PHE 13 1HD PHE 13 5.233 4.098 9.111 122 HD2 PHE 13 2HD PHE 13 3.730 7.193 11.594 123 HE1 PHE 13 1HE PHE 13 3.154 4.212 7.709 124 HE2 PHE 13 2HE PHE 13 1.650 7.308 10.193 125 HZ PHE 13 HZ PHE 13 1.388 5.816 8.267 126 H ASN 14 H ASN 14 6.740 6.724 14.239 127 HA ASN 14 HA ASN 14 9.599 6.944 14.071 128 1HB ASN 14 1HB ASN 14 7.562 7.533 16.035 129 2HB ASN 14 2HB ASN 14 8.652 6.366 16.754 130 1HD2 ASN 14 1HD2 ASN 14 8.795 8.507 18.052 131 2HD2 ASN 14 2HD2 ASN 14 10.125 9.544 17.659 132 H ALA 15 H ALA 15 10.499 4.949 13.406 133 HA ALA 15 HA ALA 15 10.580 2.825 15.202 134 1HB ALA 15 1HB ALA 15 8.204 2.853 13.627 135 2HB ALA 15 2HB ALA 15 9.242 1.558 12.985 136 3HB ALA 15 3HB ALA 15 8.790 1.564 14.706 137 HA PRO 16 HA PRO 16 13.836 1.894 12.513 138 1HB PRO 16 1HB PRO 16 14.274 -0.770 12.936 139 2HB PRO 16 2HB PRO 16 14.827 0.478 14.035 140 1HG PRO 16 1HG PRO 16 12.558 -1.391 14.344 141 2HG PRO 16 2HG PRO 16 13.379 -0.449 15.573 142 1HD PRO 16 1HD PRO 16 10.822 0.116 14.402 143 2HD PRO 16 2HD PRO 16 11.696 1.117 15.544 144 H ILE 17 H ILE 17 14.052 1.872 10.369 145 HA ILE 17 HA ILE 17 11.996 1.056 8.764 146 HB ILE 17 HB ILE 17 13.778 2.548 8.080 147 1HG1 ILE 17 1HG1 ILE 17 13.861 0.181 6.211 148 2HG1 ILE 17 2HG1 ILE 17 12.387 1.097 6.453 149 1HG2 ILE 17 1HG2 ILE 17 15.548 0.949 9.227 150 2HG2 ILE 17 2HG2 ILE 17 15.672 0.294 7.577 151 3HG2 ILE 17 3HG2 ILE 17 15.990 2.020 7.876 152 1HD1 ILE 17 1HD1 ILE 17 14.991 1.977 5.211 153 2HD1 ILE 17 2HD1 ILE 17 13.323 2.259 4.658 154 3HD1 ILE 17 3HD1 ILE 17 13.978 3.196 6.022 155 H GLU 18 H GLU 18 14.561 -0.852 10.291 156 HA GLU 18 HA GLU 18 14.410 -3.062 8.635 157 1HB GLU 18 1HB GLU 18 15.920 -2.330 10.809 158 2HB GLU 18 2HB GLU 18 14.906 -3.563 11.531 159 1HG GLU 18 1HG GLU 18 15.755 -4.557 8.968 160 2HG GLU 18 2HG GLU 18 17.173 -3.903 9.763 161 H LYS 19 H LYS 19 12.285 -1.859 11.191 162 HA LYS 19 HA LYS 19 10.923 -4.387 11.460 163 1HB LYS 19 1HB LYS 19 11.343 -2.692 13.328 164 2HB LYS 19 2HB LYS 19 10.093 -1.708 12.592 165 1HG LYS 19 1HG LYS 19 8.490 -3.634 12.768 166 2HG LYS 19 2HG LYS 19 9.740 -4.595 13.532 167 1HD LYS 19 1HD LYS 19 9.909 -2.780 15.332 168 2HD LYS 19 2HD LYS 19 8.500 -2.024 14.614 169 1HE LYS 19 1HE LYS 19 7.222 -4.183 14.943 170 2HE LYS 19 2HE LYS 19 8.623 -4.860 15.749 171 1HZ LYS 19 1HZ LYS 19 7.136 -3.962 17.347 172 2HZ LYS 19 2HZ LYS 19 8.472 -3.023 17.336 173 3HZ LYS 19 3HZ LYS 19 7.102 -2.502 16.617 174 H VAL 20 H VAL 20 10.094 -1.044 10.297 175 HA VAL 20 HA VAL 20 7.604 -1.733 9.284 176 HB VAL 20 HB VAL 20 9.560 0.409 8.430 177 1HG1 VAL 20 1HG1 VAL 20 7.623 1.596 7.521 178 2HG1 VAL 20 2HG1 VAL 20 7.823 0.017 6.726 179 3HG1 VAL 20 3HG1 VAL 20 6.563 0.236 7.964 180 1HG2 VAL 20 1HG2 VAL 20 8.565 1.836 10.018 181 2HG2 VAL 20 2HG2 VAL 20 7.184 0.742 10.268 182 3HG2 VAL 20 3HG2 VAL 20 8.795 0.295 10.880 183 H TRP 21 H TRP 21 10.902 -1.930 7.878 184 HA TRP 21 HA TRP 21 10.176 -2.428 5.251 185 1HB TRP 21 1HB TRP 21 12.429 -1.905 5.833 186 2HB TRP 21 2HB TRP 21 12.557 -3.299 6.887 187 HD1 TRP 21 HD TRP 21 14.115 -5.035 5.724 188 HE1 TRP 21 1HE TRP 21 14.519 -6.042 3.319 189 HE3 TRP 21 3HE TRP 21 10.678 -2.130 3.358 190 HZ2 TRP 21 2HZ TRP 21 13.381 -5.521 0.754 191 HZ3 TRP 21 3HZ TRP 21 10.387 -2.442 0.902 192 HH2 TRP 21 HH TRP 21 11.671 -4.068 -0.395 193 H GLU 22 H GLU 22 10.686 -4.659 8.066 194 HA GLU 22 HA GLU 22 10.068 -6.948 6.571 195 1HB GLU 22 1HB GLU 22 10.899 -6.297 9.258 196 2HB GLU 22 2HB GLU 22 9.531 -7.387 9.359 197 1HG GLU 22 1HG GLU 22 10.760 -8.824 7.565 198 2HG GLU 22 2HG GLU 22 12.170 -7.842 7.912 199 H ALA 23 H ALA 23 8.158 -4.463 8.156 200 HA ALA 23 HA ALA 23 5.812 -6.070 8.453 201 1HB ALA 23 1HB ALA 23 5.022 -4.256 9.578 202 2HB ALA 23 2HB ALA 23 6.723 -3.732 9.542 203 3HB ALA 23 3HB ALA 23 5.576 -3.114 8.329 204 H VAL 24 H VAL 24 7.476 -4.717 5.798 205 HA VAL 24 HA VAL 24 4.988 -4.743 4.234 206 HB VAL 24 HB VAL 24 5.893 -3.023 2.837 207 1HG1 VAL 24 1HG1 VAL 24 6.550 -1.441 5.081 208 2HG1 VAL 24 2HG1 VAL 24 4.967 -1.602 4.285 209 3HG1 VAL 24 3HG1 VAL 24 5.385 -2.658 5.656 210 1HG2 VAL 24 1HG2 VAL 24 8.332 -2.801 4.609 211 2HG2 VAL 24 2HG2 VAL 24 8.311 -3.829 3.157 212 3HG2 VAL 24 3HG2 VAL 24 8.043 -2.076 3.010 213 H SER 25 H SER 25 7.725 -6.439 5.025 214 HA SER 25 HA SER 25 8.188 -7.282 2.283 215 1HB SER 25 1HB SER 25 10.320 -7.986 2.936 216 2HB SER 25 2HB SER 25 10.078 -6.595 3.974 217 HG SER 25 HG SER 25 10.822 -8.265 5.296 218 H THR 26 H THR 26 7.029 -8.297 5.497 219 HA THR 26 HA THR 26 6.789 -11.068 4.647 220 HB THR 26 HB THR 26 6.050 -11.349 7.029 221 HG1 THR 26 1HG THR 26 5.087 -9.058 6.879 222 1HG2 THR 26 1HG2 THR 26 8.517 -9.610 6.553 223 2HG2 THR 26 2HG2 THR 26 8.083 -10.220 8.168 224 3HG2 THR 26 3HG2 THR 26 8.466 -11.363 6.858 225 H SER 27 H SER 27 4.573 -12.128 5.370 226 HA SER 27 HA SER 27 2.628 -10.667 3.820 227 1HB SER 27 1HB SER 27 2.689 -13.528 4.873 228 2HB SER 27 2HB SER 27 1.347 -12.863 3.963 229 HG SER 27 HG SER 27 3.528 -14.001 2.964 230 H GLU 28 H GLU 28 2.940 -12.362 7.019 231 HA GLU 28 HA GLU 28 0.438 -11.711 7.948 232 1HB GLU 28 1HB GLU 28 2.770 -12.990 8.930 233 2HB GLU 28 2HB GLU 28 2.424 -11.722 10.089 234 1HG GLU 28 1HG GLU 28 0.151 -13.460 9.103 235 2HG GLU 28 2HG GLU 28 1.255 -14.109 10.299 236 H GLY 29 H GLY 29 3.523 -9.875 7.981 237 1HA GLY 29 1HA GLY 29 2.639 -7.805 9.709 238 2HA GLY 29 2HA GLY 29 4.017 -7.773 8.626 239 H LEU 30 H LEU 30 2.458 -8.404 6.171 240 HA LEU 30 HA LEU 30 1.656 -5.729 5.587 241 1HB LEU 30 1HB LEU 30 2.292 -8.182 4.152 242 2HB LEU 30 2HB LEU 30 0.909 -7.355 3.463 243 HG LEU 30 HG LEU 30 3.183 -5.578 4.062 244 1HD1 LEU 30 1HD1 LEU 30 3.536 -7.996 2.339 245 2HD1 LEU 30 2HD1 LEU 30 4.261 -6.456 1.818 246 3HD1 LEU 30 3HD1 LEU 30 4.698 -7.157 3.395 247 1HD2 LEU 30 1HD2 LEU 30 1.020 -5.878 2.095 248 2HD2 LEU 30 2HD2 LEU 30 1.789 -4.414 2.753 249 3HD2 LEU 30 3HD2 LEU 30 2.558 -5.298 1.412 250 H ALA 31 H ALA 31 -0.057 -8.938 5.543 251 HA ALA 31 HA ALA 31 -2.578 -7.943 5.076 252 1HB ALA 31 1HB ALA 31 -3.313 -10.091 6.195 253 2HB ALA 31 2HB ALA 31 -2.084 -10.299 4.925 254 3HB ALA 31 3HB ALA 31 -1.612 -10.366 6.640 255 H PHE 32 H PHE 32 -0.537 -7.634 7.889 256 HA PHE 32 HA PHE 32 -2.466 -7.443 9.879 257 1HB PHE 32 1HB PHE 32 0.307 -7.246 9.565 258 2HB PHE 32 2HB PHE 32 -0.106 -5.579 9.912 259 HD1 PHE 32 1HD PHE 32 1.170 -8.274 11.431 260 HD2 PHE 32 2HD PHE 32 -2.122 -5.640 11.913 261 HE1 PHE 32 1HE PHE 32 1.109 -8.798 13.885 262 HE2 PHE 32 2HE PHE 32 -2.183 -6.164 14.367 263 HZ PHE 32 HZ PHE 32 -0.567 -7.737 15.324 264 H TRP 33 H TRP 33 -1.731 -5.329 7.198 265 HA TRP 33 HA TRP 33 -3.620 -3.390 8.299 266 1HB TRP 33 1HB TRP 33 -2.204 -1.537 7.459 267 2HB TRP 33 2HB TRP 33 -1.551 -2.382 8.848 268 HD1 TRP 33 HD TRP 33 0.675 -3.945 8.378 269 HE1 TRP 33 1HE TRP 33 2.567 -3.911 6.539 270 HE3 TRP 33 3HE TRP 33 -1.873 -1.054 5.061 271 HZ2 TRP 33 2HZ TRP 33 2.781 -2.706 3.961 272 HZ3 TRP 33 3HZ TRP 33 -0.750 -0.495 2.907 273 HH2 TRP 33 HH TRP 33 1.495 -1.271 2.334 274 H PHE 34 H PHE 34 -1.597 -4.493 5.493 275 HA PHE 34 HA PHE 34 -3.209 -3.317 3.538 276 1HB PHE 34 1HB PHE 34 -0.935 -4.075 3.061 277 2HB PHE 34 2HB PHE 34 -1.255 -5.668 3.717 278 HD1 PHE 34 1HD PHE 34 -0.672 -7.018 1.882 279 HD2 PHE 34 2HD PHE 34 -3.400 -3.816 1.326 280 HE1 PHE 34 1HE PHE 34 -1.193 -7.862 -0.424 281 HE2 PHE 34 2HE PHE 34 -3.921 -4.660 -0.980 282 HZ PHE 34 HZ PHE 34 -2.811 -6.673 -1.827 283 H MET 35 H MET 35 -2.779 -6.857 3.452 284 HA MET 35 HA MET 35 -5.433 -7.438 4.166 285 1HB MET 35 1HB MET 35 -4.885 -6.660 1.396 286 2HB MET 35 2HB MET 35 -5.382 -8.340 1.434 287 1HG MET 35 1HG MET 35 -7.384 -7.642 2.855 288 2HG MET 35 2HG MET 35 -6.916 -5.971 2.605 289 1HE MET 35 1HE MET 35 -5.597 -6.938 -0.511 290 2HE MET 35 2HE MET 35 -6.839 -6.057 -1.433 291 3HE MET 35 3HE MET 35 -6.103 -5.312 0.007 292 H GLU 36 H GLU 36 -5.936 -9.823 3.803 293 HA GLU 36 HA GLU 36 -3.765 -11.331 4.583 294 1HB GLU 36 1HB GLU 36 -6.535 -12.000 3.560 295 2HB GLU 36 2HB GLU 36 -5.391 -13.289 3.875 296 1HG GLU 36 1HG GLU 36 -5.193 -11.617 6.146 297 2HG GLU 36 2HG GLU 36 -6.907 -11.642 5.780 298 H ASN 37 H ASN 37 -2.319 -12.707 3.504 299 HA ASN 37 HA ASN 37 -2.653 -13.630 0.952 300 1HB ASN 37 1HB ASN 37 -0.575 -11.968 0.146 301 2HB ASN 37 2HB ASN 37 -2.254 -11.747 -0.306 302 1HD2 ASN 37 1HD2 ASN 37 -0.387 -11.277 2.695 303 2HD2 ASN 37 2HD2 ASN 37 -0.838 -9.629 2.977 304 H ASP 38 H ASP 38 -0.078 -13.928 -0.006 305 HA ASP 38 HA ASP 38 1.515 -14.579 2.341 306 1HB ASP 38 1HB ASP 38 0.716 -16.330 0.008 307 2HB ASP 38 2HB ASP 38 2.290 -16.581 0.736 308 H LEU 39 H LEU 39 1.733 -12.215 0.735 309 HA LEU 39 HA LEU 39 3.346 -12.389 -1.490 310 1HB LEU 39 1HB LEU 39 2.358 -10.346 -1.119 311 2HB LEU 39 2HB LEU 39 2.796 -10.306 0.577 312 HG LEU 39 HG LEU 39 5.126 -10.264 -1.209 313 1HD1 LEU 39 1HD1 LEU 39 3.091 -8.027 -1.381 314 2HD1 LEU 39 2HD1 LEU 39 4.787 -7.895 -1.906 315 3HD1 LEU 39 3HD1 LEU 39 3.695 -9.050 -2.706 316 1HD2 LEU 39 1HD2 LEU 39 4.631 -8.014 0.621 317 2HD2 LEU 39 2HD2 LEU 39 4.600 -9.617 1.394 318 3HD2 LEU 39 3HD2 LEU 39 6.034 -9.100 0.476 319 H LYS 40 H LYS 40 5.631 -12.190 -1.829 320 HA LYS 40 HA LYS 40 7.257 -12.697 0.548 321 1HB LYS 40 1HB LYS 40 6.682 -14.876 -0.523 322 2HB LYS 40 2HB LYS 40 7.441 -14.325 -2.003 323 1HG LYS 40 1HG LYS 40 9.398 -15.128 -1.179 324 2HG LYS 40 2HG LYS 40 9.386 -13.783 -0.055 325 1HD LYS 40 1HD LYS 40 7.772 -16.241 0.639 326 2HD LYS 40 2HD LYS 40 9.514 -16.319 0.809 327 1HE LYS 40 1HE LYS 40 9.004 -13.893 2.015 328 2HE LYS 40 2HE LYS 40 7.524 -14.752 2.391 329 1HZ LYS 40 1HZ LYS 40 8.741 -16.442 3.433 330 2HZ LYS 40 2HZ LYS 40 10.175 -15.919 2.851 331 3HZ LYS 40 3HZ LYS 40 9.386 -15.047 3.984 332 H ALA 41 H ALA 41 8.880 -11.246 0.657 333 HA ALA 41 HA ALA 41 9.277 -9.363 -1.372 334 1HB ALA 41 1HB ALA 41 10.650 -8.369 0.168 335 2HB ALA 41 2HB ALA 41 9.849 -9.518 1.267 336 3HB ALA 41 3HB ALA 41 11.454 -9.898 0.598 337 H GLU 42 H GLU 42 9.541 -10.692 -3.313 338 HA GLU 42 HA GLU 42 12.290 -11.143 -3.810 339 1HB GLU 42 1HB GLU 42 11.148 -13.327 -2.697 340 2HB GLU 42 2HB GLU 42 10.666 -13.609 -4.358 341 1HG GLU 42 1HG GLU 42 12.845 -13.942 -5.092 342 2HG GLU 42 2HG GLU 42 13.525 -12.809 -3.941 343 H THR 43 H THR 43 12.469 -10.120 -5.754 344 HA THR 43 HA THR 43 10.374 -9.479 -7.414 345 HB THR 43 HB THR 43 13.001 -8.835 -7.246 346 HG1 THR 43 1HG THR 43 11.090 -7.918 -8.503 347 1HG2 THR 43 1HG2 THR 43 13.625 -11.092 -8.356 348 2HG2 THR 43 2HG2 THR 43 12.811 -10.479 -9.815 349 3HG2 THR 43 3HG2 THR 43 14.237 -9.632 -9.169 350 H GLY 44 H GLY 44 9.271 -10.379 -9.092 351 1HA GLY 44 1HA GLY 44 8.613 -11.939 -10.584 352 2HA GLY 44 2HA GLY 44 10.179 -12.715 -10.445 353 H HIS 45 H HIS 45 8.020 -12.042 -7.659 354 HA HIS 45 HA HIS 45 7.911 -14.915 -7.213 355 1HB HIS 45 1HB HIS 45 8.792 -13.679 -5.369 356 2HB HIS 45 2HB HIS 45 7.478 -12.520 -5.420 357 HD1 HIS 45 1HD HIS 45 7.969 -16.264 -4.752 358 HD2 HIS 45 2HD HIS 45 5.422 -13.099 -3.707 359 HE1 HIS 45 1HE HIS 45 6.372 -17.184 -2.986 360 H HIS 46 H HIS 46 5.756 -15.707 -6.176 361 HA HIS 46 HA HIS 46 3.511 -14.314 -7.419 362 1HB HIS 46 1HB HIS 46 2.675 -16.217 -8.463 363 2HB HIS 46 2HB HIS 46 4.391 -16.269 -8.812 364 HD1 HIS 46 1HD HIS 46 1.676 -18.295 -7.469 365 HD2 HIS 46 2HD HIS 46 5.841 -18.141 -6.991 366 HE1 HIS 46 1HE HIS 46 2.362 -20.534 -6.455 367 H PHE 47 H PHE 47 1.613 -14.313 -6.194 368 HA PHE 47 HA PHE 47 1.349 -16.099 -3.977 369 1HB PHE 47 1HB PHE 47 1.279 -14.155 -2.330 370 2HB PHE 47 2HB PHE 47 2.873 -14.388 -3.020 371 HD1 PHE 47 1HD PHE 47 3.392 -12.954 -5.159 372 HD2 PHE 47 2HD PHE 47 0.343 -12.037 -2.354 373 HE1 PHE 47 1HE PHE 47 3.414 -10.562 -5.918 374 HE2 PHE 47 2HE PHE 47 0.365 -9.644 -3.112 375 HZ PHE 47 HZ PHE 47 1.900 -8.935 -4.885 376 H HIS 48 H HIS 48 -0.784 -15.939 -2.963 377 HA HIS 48 HA HIS 48 -2.697 -14.876 -4.842 378 1HB HIS 48 1HB HIS 48 -2.691 -16.877 -2.648 379 2HB HIS 48 2HB HIS 48 -4.193 -16.005 -2.883 380 HD1 HIS 48 1HD HIS 48 -2.386 -18.904 -4.081 381 HD2 HIS 48 2HD HIS 48 -5.097 -16.175 -5.756 382 HE1 HIS 48 1HE HIS 48 -3.320 -20.019 -6.178 383 H LEU 49 H LEU 49 -4.650 -13.655 -3.978 384 HA LEU 49 HA LEU 49 -3.915 -11.997 -1.679 385 1HB LEU 49 1HB LEU 49 -3.313 -10.886 -3.836 386 2HB LEU 49 2HB LEU 49 -5.007 -10.924 -4.282 387 HG LEU 49 HG LEU 49 -5.442 -9.607 -2.116 388 1HD1 LEU 49 1HD1 LEU 49 -2.496 -8.957 -2.363 389 2HD1 LEU 49 2HD1 LEU 49 -3.651 -8.377 -1.138 390 3HD1 LEU 49 3HD1 LEU 49 -3.167 -10.090 -1.164 391 1HD2 LEU 49 1HD2 LEU 49 -5.621 -8.663 -4.376 392 2HD2 LEU 49 2HD2 LEU 49 -4.988 -7.478 -3.208 393 3HD2 LEU 49 3HD2 LEU 49 -3.883 -8.279 -4.351 394 H GLN 50 H GLN 50 -5.660 -11.346 -0.378 395 HA GLN 50 HA GLN 50 -8.133 -12.715 -1.076 396 1HB GLN 50 1HB GLN 50 -7.027 -11.848 1.630 397 2HB GLN 50 2HB GLN 50 -8.620 -12.543 1.407 398 1HG GLN 50 1HG GLN 50 -6.634 -14.199 0.059 399 2HG GLN 50 2HG GLN 50 -6.146 -13.933 1.721 400 1HE2 GLN 50 1HE2 GLN 50 -8.621 -15.171 -0.411 401 2HE2 GLN 50 2HE2 GLN 50 -9.475 -16.146 0.738 402 H SER 51 H SER 51 -8.681 -10.868 -2.527 403 HA SER 51 HA SER 51 -9.092 -8.353 -1.231 404 1HB SER 51 1HB SER 51 -9.247 -7.484 -3.352 405 2HB SER 51 2HB SER 51 -8.439 -8.981 -3.773 406 HG SER 51 HG SER 51 -10.559 -9.922 -4.211 407 HA PRO 52 HA PRO 52 -13.347 -8.864 -0.469 408 1HB PRO 52 1HB PRO 52 -14.428 -6.408 -0.986 409 2HB PRO 52 2HB PRO 52 -13.553 -6.779 0.486 410 1HG PRO 52 1HG PRO 52 -12.663 -5.204 -1.852 411 2HG PRO 52 2HG PRO 52 -11.998 -5.233 -0.231 412 1HD PRO 52 1HD PRO 52 -10.910 -6.514 -2.555 413 2HD PRO 52 2HD PRO 52 -10.311 -6.638 -0.913 414 H PHE 53 H PHE 53 -12.298 -8.355 -3.579 415 HA PHE 53 HA PHE 53 -14.994 -8.938 -4.583 416 1HB PHE 53 1HB PHE 53 -12.534 -7.442 -5.566 417 2HB PHE 53 2HB PHE 53 -13.560 -8.187 -6.776 418 HD1 PHE 53 1HD PHE 53 -15.309 -6.955 -7.645 419 HD2 PHE 53 2HD PHE 53 -13.823 -5.948 -3.800 420 HE1 PHE 53 1HE PHE 53 -16.837 -4.964 -7.575 421 HE2 PHE 53 2HE PHE 53 -15.350 -3.957 -3.731 422 HZ PHE 53 HZ PHE 53 -16.839 -3.489 -5.619 423 H GLY 54 H GLY 54 -13.322 -10.993 -3.409 424 1HA GLY 54 1HA GLY 54 -13.146 -13.206 -4.088 425 2HA GLY 54 2HA GLY 54 -13.044 -12.705 -5.764 426 HA PRO 55 HA PRO 55 -8.816 -13.218 -3.802 427 1HB PRO 55 1HB PRO 55 -8.300 -15.896 -3.977 428 2HB PRO 55 2HB PRO 55 -8.836 -15.118 -2.501 429 1HG PRO 55 1HG PRO 55 -10.374 -16.829 -4.358 430 2HG PRO 55 2HG PRO 55 -10.743 -16.400 -2.699 431 1HD PRO 55 1HD PRO 55 -11.951 -15.313 -5.063 432 2HD PRO 55 2HD PRO 55 -12.236 -14.803 -3.410 433 H SER 56 H SER 56 -7.101 -12.732 -5.047 434 HA SER 56 HA SER 56 -7.101 -14.065 -7.622 435 1HB SER 56 1HB SER 56 -7.537 -11.181 -7.128 436 2HB SER 56 2HB SER 56 -6.230 -11.493 -8.254 437 HG SER 56 HG SER 56 -8.797 -12.786 -8.521 438 HA PRO 57 HA PRO 57 -2.843 -14.243 -6.733 439 1HB PRO 57 1HB PRO 57 -1.804 -14.788 -9.201 440 2HB PRO 57 2HB PRO 57 -2.535 -16.009 -8.179 441 1HG PRO 57 1HG PRO 57 -3.639 -14.713 -10.596 442 2HG PRO 57 2HG PRO 57 -4.144 -16.201 -9.820 443 1HD PRO 57 1HD PRO 57 -5.457 -13.655 -9.671 444 2HD PRO 57 2HD PRO 57 -5.896 -15.113 -8.804 445 H CYS 58 H CYS 58 -0.817 -13.177 -6.737 446 HA CYS 58 HA CYS 58 -0.912 -10.726 -8.324 447 1HB CYS 58 1HB CYS 58 -0.393 -10.940 -5.351 448 2HB CYS 58 2HB CYS 58 0.178 -9.580 -6.297 449 HG CYS 58 HG CYS 58 -2.919 -10.734 -6.405 450 H GLN 59 H GLN 59 1.448 -9.689 -8.229 451 HA GLN 59 HA GLN 59 3.484 -11.662 -7.814 452 1HB GLN 59 1HB GLN 59 2.913 -12.271 -10.069 453 2HB GLN 59 2HB GLN 59 2.784 -10.598 -10.574 454 1HG GLN 59 1HG GLN 59 5.080 -10.320 -10.758 455 2HG GLN 59 2HG GLN 59 5.432 -11.411 -9.432 456 1HE2 GLN 59 1HE2 GLN 59 6.372 -13.216 -9.963 457 2HE2 GLN 59 2HE2 GLN 59 6.234 -14.080 -11.458 458 H VAL 60 H VAL 60 5.528 -10.711 -7.419 459 HA VAL 60 HA VAL 60 5.413 -7.846 -7.020 460 HB VAL 60 HB VAL 60 7.507 -9.914 -6.322 461 1HG1 VAL 60 1HG1 VAL 60 8.206 -8.069 -4.672 462 2HG1 VAL 60 2HG1 VAL 60 8.644 -7.853 -6.384 463 3HG1 VAL 60 3HG1 VAL 60 7.260 -6.966 -5.700 464 1HG2 VAL 60 1HG2 VAL 60 5.840 -10.540 -4.900 465 2HG2 VAL 60 2HG2 VAL 60 6.488 -9.184 -3.946 466 3HG2 VAL 60 3HG2 VAL 60 5.040 -8.951 -4.955 467 H THR 61 H THR 61 6.292 -6.360 -8.375 468 HA THR 61 HA THR 61 7.681 -7.366 -10.721 469 HB THR 61 HB THR 61 7.247 -5.086 -11.559 470 HG1 THR 61 1HG THR 61 7.437 -3.675 -9.844 471 1HG2 THR 61 1HG2 THR 61 5.082 -5.758 -11.879 472 2HG2 THR 61 2HG2 THR 61 5.110 -6.727 -10.386 473 3HG2 THR 61 3HG2 THR 61 4.701 -4.997 -10.315 474 H ASP 62 H ASP 62 8.302 -5.376 -7.804 475 HA ASP 62 HA ASP 62 11.096 -5.846 -8.262 476 1HB ASP 62 1HB ASP 62 9.824 -3.286 -8.798 477 2HB ASP 62 2HB ASP 62 10.903 -3.106 -7.428 478 H VAL 63 H VAL 63 12.083 -6.203 -6.237 479 HA VAL 63 HA VAL 63 11.083 -4.902 -3.888 480 HB VAL 63 HB VAL 63 9.435 -6.626 -4.020 481 1HG1 VAL 63 1HG1 VAL 63 11.696 -8.644 -4.223 482 2HG1 VAL 63 2HG1 VAL 63 9.952 -8.998 -4.183 483 3HG1 VAL 63 3HG1 VAL 63 10.653 -8.130 -5.571 484 1HG2 VAL 63 1HG2 VAL 63 11.219 -7.929 -2.032 485 2HG2 VAL 63 2HG2 VAL 63 10.964 -6.179 -1.837 486 3HG2 VAL 63 3HG2 VAL 63 9.570 -7.284 -1.851 487 H GLU 64 H GLU 64 13.034 -4.173 -3.188 488 HA GLU 64 HA GLU 64 14.964 -6.156 -2.494 489 1HB GLU 64 1HB GLU 64 15.569 -5.676 -4.859 490 2HB GLU 64 2HB GLU 64 15.691 -3.967 -4.491 491 1HG GLU 64 1HG GLU 64 17.838 -4.260 -3.832 492 2HG GLU 64 2HG GLU 64 17.300 -5.327 -2.550 493 H ARG 65 H ARG 65 15.109 -5.588 -0.353 494 HA ARG 65 HA ARG 65 15.416 -4.416 1.436 495 1HB ARG 65 1HB ARG 65 17.189 -3.119 -0.562 496 2HB ARG 65 2HB ARG 65 16.793 -2.068 0.784 497 1HG ARG 65 1HG ARG 65 17.342 -4.359 2.164 498 2HG ARG 65 2HG ARG 65 18.362 -4.624 0.764 499 1HD ARG 65 1HD ARG 65 18.553 -1.861 1.823 500 2HD ARG 65 2HD ARG 65 19.034 -3.075 2.991 501 HE ARG 65 HE ARG 65 20.462 -2.353 0.563 502 1HH1 ARG 65 2HH2 ARG 65 19.843 -5.005 2.791 503 2HH1 ARG 65 1HH2 ARG 65 21.321 -5.830 2.421 504 1HH2 ARG 65 2HH1 ARG 65 22.411 -3.440 0.074 505 2HH2 ARG 65 1HH1 ARG 65 22.792 -4.933 0.865 506 HA PRO 66 HA PRO 66 12.536 -1.147 1.702 507 1HB PRO 66 1HB PRO 66 13.398 0.402 3.782 508 2HB PRO 66 2HB PRO 66 12.561 -1.122 4.004 509 1HG PRO 66 1HG PRO 66 15.435 -0.520 4.344 510 2HG PRO 66 2HG PRO 66 14.519 -1.884 4.955 511 1HD PRO 66 1HD PRO 66 16.310 -1.885 2.714 512 2HD PRO 66 2HD PRO 66 15.307 -3.216 3.255 513 H ILE 67 H ILE 67 13.364 -0.550 -0.529 514 HA ILE 67 HA ILE 67 13.922 2.297 -0.354 515 HB ILE 67 HB ILE 67 15.641 1.984 -2.207 516 1HG1 ILE 67 1HG1 ILE 67 16.842 -0.376 -1.581 517 2HG1 ILE 67 2HG1 ILE 67 15.158 -0.835 -1.431 518 1HG2 ILE 67 1HG2 ILE 67 15.920 2.458 0.387 519 2HG2 ILE 67 2HG2 ILE 67 16.721 0.869 0.343 520 3HG2 ILE 67 3HG2 ILE 67 17.321 2.198 -0.679 521 1HD1 ILE 67 1HD1 ILE 67 16.548 -0.758 -3.810 522 2HD1 ILE 67 2HD1 ILE 67 14.775 -0.660 -3.680 523 3HD1 ILE 67 3HD1 ILE 67 15.741 0.829 -3.823 524 H LYS 68 H LYS 68 13.235 -0.602 -2.403 525 HA LYS 68 HA LYS 68 11.193 0.987 -3.736 526 1HB LYS 68 1HB LYS 68 13.084 1.284 -5.196 527 2HB LYS 68 2HB LYS 68 13.460 -0.427 -5.164 528 1HG LYS 68 1HG LYS 68 12.018 -0.823 -6.868 529 2HG LYS 68 2HG LYS 68 10.693 -0.128 -5.956 530 1HD LYS 68 1HD LYS 68 11.089 2.070 -6.817 531 2HD LYS 68 2HD LYS 68 12.709 1.668 -7.349 532 1HE LYS 68 1HE LYS 68 11.635 -0.008 -8.984 533 2HE LYS 68 2HE LYS 68 10.085 0.691 -8.560 534 1HZ LYS 68 1HZ LYS 68 10.576 2.113 -10.173 535 2HZ LYS 68 2HZ LYS 68 11.555 2.851 -9.095 536 3HZ LYS 68 3HZ LYS 68 12.175 1.783 -10.164 537 H LEU 69 H LEU 69 9.314 -0.118 -3.673 538 HA LEU 69 HA LEU 69 9.414 -3.005 -3.965 539 1HB LEU 69 1HB LEU 69 9.617 -2.586 -1.550 540 2HB LEU 69 2HB LEU 69 8.131 -1.657 -1.585 541 HG LEU 69 HG LEU 69 7.069 -3.847 -2.539 542 1HD1 LEU 69 1HD1 LEU 69 9.488 -4.840 -2.679 543 2HD1 LEU 69 2HD1 LEU 69 9.219 -5.213 -0.959 544 3HD1 LEU 69 3HD1 LEU 69 8.116 -5.866 -2.194 545 1HD2 LEU 69 1HD2 LEU 69 6.653 -4.651 -0.221 546 2HD2 LEU 69 2HD2 LEU 69 7.890 -3.509 0.357 547 3HD2 LEU 69 3HD2 LEU 69 6.414 -2.899 -0.429 548 H SER 70 H SER 70 7.797 -3.700 -5.283 549 HA SER 70 HA SER 70 5.422 -2.065 -5.435 550 1HB SER 70 1HB SER 70 7.034 -1.262 -7.218 551 2HB SER 70 2HB SER 70 6.990 -2.865 -7.926 552 HG SER 70 HG SER 70 5.454 -1.658 -9.037 553 H PHE 71 H PHE 71 3.600 -3.248 -6.526 554 HA PHE 71 HA PHE 71 4.029 -6.022 -7.123 555 1HB PHE 71 1HB PHE 71 2.782 -6.872 -5.246 556 2HB PHE 71 2HB PHE 71 3.793 -5.639 -4.520 557 HD1 PHE 71 1HD PHE 71 2.827 -3.910 -3.289 558 HD2 PHE 71 2HD PHE 71 0.391 -6.170 -5.928 559 HE1 PHE 71 1HE PHE 71 0.785 -2.768 -2.382 560 HE2 PHE 71 2HE PHE 71 -1.651 -5.028 -5.021 561 HZ PHE 71 HZ PHE 71 -1.430 -3.340 -3.259 562 H THR 72 H THR 72 2.334 -6.897 -8.372 563 HA THR 72 HA THR 72 0.475 -4.906 -9.375 564 HB THR 72 HB THR 72 0.105 -6.642 -11.125 565 HG1 THR 72 1HG THR 72 1.361 -8.662 -10.748 566 1HG2 THR 72 1HG2 THR 72 2.170 -5.316 -11.458 567 2HG2 THR 72 2HG2 THR 72 3.048 -6.362 -10.317 568 3HG2 THR 72 3HG2 THR 72 2.490 -7.017 -11.875 569 H TRP 73 H TRP 73 -1.782 -5.060 -9.361 570 HA TRP 73 HA TRP 73 -2.769 -6.830 -7.238 571 1HB TRP 73 1HB TRP 73 -2.945 -4.325 -6.972 572 2HB TRP 73 2HB TRP 73 -4.073 -4.329 -8.313 573 HD1 TRP 73 HD TRP 73 -5.838 -6.892 -7.501 574 HE1 TRP 73 1HE TRP 73 -7.488 -6.867 -5.442 575 HE3 TRP 73 3HE TRP 73 -3.577 -3.043 -5.067 576 HZ2 TRP 73 2HZ TRP 73 -7.659 -5.275 -3.080 577 HZ3 TRP 73 3HZ TRP 73 -4.549 -2.314 -2.890 578 HH2 TRP 73 HH TRP 73 -6.519 -3.364 -1.894 579 H ASP 74 H ASP 74 -4.154 -8.468 -7.817 580 HA ASP 74 HA ASP 74 -5.349 -9.792 -9.048 581 1HB ASP 74 1HB ASP 74 -6.346 -7.102 -9.682 582 2HB ASP 74 2HB ASP 74 -6.593 -8.195 -11.030 583 H THR 75 H THR 75 -5.966 -10.223 -11.659 584 HA THR 75 HA THR 75 -3.576 -10.819 -12.906 585 HB THR 75 HB THR 75 -5.249 -10.909 -14.968 586 HG1 THR 75 1HG THR 75 -6.904 -9.574 -14.146 587 1HG2 THR 75 1HG2 THR 75 -5.688 -12.445 -12.358 588 2HG2 THR 75 2HG2 THR 75 -6.532 -12.839 -13.875 589 3HG2 THR 75 3HG2 THR 75 -4.761 -12.986 -13.777 590 H ASP 76 H ASP 76 -5.804 -8.047 -13.623 591 HA ASP 76 HA ASP 76 -3.553 -6.423 -14.155 592 1HB ASP 76 1HB ASP 76 -3.747 -7.684 -16.313 593 2HB ASP 76 2HB ASP 76 -5.413 -7.163 -16.464 594 H GLY 77 H GLY 77 -4.320 -4.588 -13.090 595 1HA GLY 77 1HA GLY 77 -6.810 -3.390 -13.949 596 2HA GLY 77 2HA GLY 77 -6.826 -3.991 -12.303 597 H TRP 78 H TRP 78 -5.263 -3.133 -10.725 598 HA TRP 78 HA TRP 78 -4.186 -0.529 -11.571 599 1HB TRP 78 1HB TRP 78 -5.397 -1.257 -8.897 600 2HB TRP 78 2HB TRP 78 -4.644 0.274 -9.299 601 HD1 TRP 78 HD TRP 78 -6.172 0.307 -12.322 602 HE1 TRP 78 1HE TRP 78 -8.683 1.106 -12.471 603 HE3 TRP 78 3HE TRP 78 -7.250 -0.442 -7.410 604 HZ2 TRP 78 2HZ TRP 78 -10.790 1.330 -10.560 605 HZ3 TRP 78 3HZ TRP 78 -9.558 0.091 -6.633 606 HH2 TRP 78 HH TRP 78 -11.298 0.949 -8.119 607 H SER 79 H SER 79 -2.222 0.124 -10.296 608 HA SER 79 HA SER 79 -0.898 -2.152 -9.080 609 1HB SER 79 1HB SER 79 1.135 -0.756 -10.472 610 2HB SER 79 2HB SER 79 0.537 -2.369 -10.808 611 HG SER 79 HG SER 79 0.298 -1.160 -12.707 612 H VAL 80 H VAL 80 0.209 -1.582 -7.208 613 HA VAL 80 HA VAL 80 0.537 1.304 -6.752 614 HB VAL 80 HB VAL 80 -1.269 0.308 -5.427 615 1HG1 VAL 80 1HG1 VAL 80 -1.127 -1.707 -4.483 616 2HG1 VAL 80 2HG1 VAL 80 0.492 -1.887 -5.200 617 3HG1 VAL 80 3HG1 VAL 80 0.315 -1.222 -3.559 618 1HG2 VAL 80 1HG2 VAL 80 -0.087 2.187 -4.477 619 2HG2 VAL 80 2HG2 VAL 80 -0.444 1.022 -3.180 620 3HG2 VAL 80 3HG2 VAL 80 1.199 1.123 -3.859 621 H THR 81 H THR 81 2.485 1.994 -5.774 622 HA THR 81 HA THR 81 4.509 -0.114 -5.433 623 HB THR 81 HB THR 81 4.722 2.538 -6.952 624 HG1 THR 81 1HG THR 81 3.784 0.605 -8.014 625 1HG2 THR 81 1HG2 THR 81 7.038 1.511 -7.533 626 2HG2 THR 81 2HG2 THR 81 6.885 2.248 -5.920 627 3HG2 THR 81 3HG2 THR 81 6.811 0.479 -6.101 628 H PHE 82 H PHE 82 5.735 0.007 -3.626 629 HA PHE 82 HA PHE 82 5.093 2.233 -1.854 630 1HB PHE 82 1HB PHE 82 6.354 -0.554 -1.569 631 2HB PHE 82 2HB PHE 82 6.304 0.570 -0.226 632 HD1 PHE 82 1HD PHE 82 3.876 1.561 0.261 633 HD2 PHE 82 2HD PHE 82 4.650 -2.098 -1.745 634 HE1 PHE 82 1HE PHE 82 1.578 0.748 0.858 635 HE2 PHE 82 2HE PHE 82 2.352 -2.911 -1.148 636 HZ PHE 82 HZ PHE 82 0.843 -1.479 0.146 637 H HIS 83 H HIS 83 6.821 3.269 -0.591 638 HA HIS 83 HA HIS 83 9.489 2.901 -1.671 639 1HB HIS 83 1HB HIS 83 7.792 5.317 -2.046 640 2HB HIS 83 2HB HIS 83 9.462 5.598 -1.593 641 HD1 HIS 83 1HD HIS 83 11.301 4.337 -3.235 642 HD2 HIS 83 2HD HIS 83 7.415 4.862 -4.725 643 HE1 HIS 83 1HE HIS 83 11.465 4.072 -5.767 644 H LEU 84 H LEU 84 10.831 2.637 0.035 645 HA LEU 84 HA LEU 84 10.047 3.966 2.536 646 1HB LEU 84 1HB LEU 84 11.352 1.301 2.021 647 2HB LEU 84 2HB LEU 84 11.429 2.093 3.582 648 HG LEU 84 HG LEU 84 8.709 2.134 2.931 649 1HD1 LEU 84 1HD1 LEU 84 8.047 0.135 2.036 650 2HD1 LEU 84 2HD1 LEU 84 9.566 0.390 1.144 651 3HD1 LEU 84 3HD1 LEU 84 9.528 -0.715 2.539 652 1HD2 LEU 84 1HD2 LEU 84 10.067 0.055 4.656 653 2HD2 LEU 84 2HD2 LEU 84 9.882 1.758 5.140 654 3HD2 LEU 84 3HD2 LEU 84 8.441 0.757 4.840 655 H LYS 85 H LYS 85 11.844 4.719 3.913 656 HA LYS 85 HA LYS 85 14.480 4.771 3.005 657 1HB LYS 85 1HB LYS 85 14.551 7.254 2.414 658 2HB LYS 85 2HB LYS 85 13.936 6.153 1.197 659 1HG LYS 85 1HG LYS 85 11.958 7.255 1.149 660 2HG LYS 85 2HG LYS 85 11.714 6.946 2.857 661 1HD LYS 85 1HD LYS 85 11.750 9.275 2.876 662 2HD LYS 85 2HD LYS 85 13.446 8.946 3.171 663 1HE LYS 85 1HE LYS 85 14.012 10.045 1.270 664 2HE LYS 85 2HE LYS 85 13.059 8.924 0.317 665 1HZ LYS 85 1HZ LYS 85 11.163 10.450 1.343 666 2HZ LYS 85 2HZ LYS 85 12.370 11.546 1.256 667 3HZ LYS 85 3HZ LYS 85 11.884 10.759 -0.090 668 H GLU 86 H GLU 86 15.527 4.838 4.912 669 HA GLU 86 HA GLU 86 14.190 5.729 7.213 670 1HB GLU 86 1HB GLU 86 16.117 3.946 6.877 671 2HB GLU 86 2HB GLU 86 17.186 5.318 7.087 672 1HG GLU 86 1HG GLU 86 15.063 5.326 9.114 673 2HG GLU 86 2HG GLU 86 15.938 3.808 9.132 674 H GLU 87 H GLU 87 14.287 7.681 8.320 675 HA GLU 87 HA GLU 87 15.837 9.740 6.973 676 1HB GLU 87 1HB GLU 87 13.147 9.662 7.786 677 2HB GLU 87 2HB GLU 87 13.916 10.672 8.994 678 1HG GLU 87 1HG GLU 87 14.926 11.377 6.353 679 2HG GLU 87 2HG GLU 87 13.174 11.399 6.333 680 H GLU 88 H GLU 88 15.908 11.679 9.038 681 HA GLU 88 HA GLU 88 18.180 11.145 10.307 682 1HB GLU 88 1HB GLU 88 15.830 12.898 10.996 683 2HB GLU 88 2HB GLU 88 17.117 12.751 12.175 684 1HG GLU 88 1HG GLU 88 18.500 13.124 9.759 685 2HG GLU 88 2HG GLU 88 17.104 14.169 9.586 686 H ASN 89 H ASN 89 15.074 11.093 12.196 687 HA ASN 89 HA ASN 89 16.121 8.717 13.517 688 1HB ASN 89 1HB ASN 89 16.269 10.883 14.916 689 2HB ASN 89 2HB ASN 89 14.517 10.932 14.893 690 1HD2 ASN 89 1HD2 ASN 89 17.277 8.847 15.673 691 2HD2 ASN 89 2HD2 ASN 89 16.557 8.005 17.004 692 H GLY 90 H GLY 90 14.540 8.085 11.516 693 1HA GLY 90 1HA GLY 90 12.256 6.911 12.519 694 2HA GLY 90 2HA GLY 90 11.741 8.466 11.896 695 H THR 91 H THR 91 10.696 6.255 10.667 696 HA THR 91 HA THR 91 12.297 5.969 8.212 697 HB THR 91 HB THR 91 10.176 4.170 9.497 698 HG1 THR 91 1HG THR 91 12.163 3.852 10.529 699 1HG2 THR 91 1HG2 THR 91 10.943 4.306 6.765 700 2HG2 THR 91 2HG2 THR 91 11.922 2.990 7.456 701 3HG2 THR 91 3HG2 THR 91 10.146 2.934 7.572 702 H ILE 92 H ILE 92 11.464 6.513 6.239 703 HA ILE 92 HA ILE 92 8.910 7.935 6.379 704 HB ILE 92 HB ILE 92 11.178 8.097 4.391 705 1HG1 ILE 92 1HG1 ILE 92 11.610 9.023 6.691 706 2HG1 ILE 92 2HG1 ILE 92 11.758 10.171 5.375 707 1HG2 ILE 92 1HG2 ILE 92 9.956 10.043 3.481 708 2HG2 ILE 92 2HG2 ILE 92 9.076 8.511 3.268 709 3HG2 ILE 92 3HG2 ILE 92 8.581 9.652 4.542 710 1HD1 ILE 92 1HD1 ILE 92 10.224 10.547 7.656 711 2HD1 ILE 92 2HD1 ILE 92 10.024 11.443 6.131 712 3HD1 ILE 92 3HD1 ILE 92 9.011 10.018 6.465 713 H PHE 93 H PHE 93 7.155 7.333 5.138 714 HA PHE 93 HA PHE 93 7.587 4.992 3.421 715 1HB PHE 93 1HB PHE 93 6.405 4.719 5.754 716 2HB PHE 93 2HB PHE 93 5.105 5.687 5.089 717 HD1 PHE 93 1HD PHE 93 4.155 4.807 2.775 718 HD2 PHE 93 2HD PHE 93 6.259 2.421 5.585 719 HE1 PHE 93 1HE PHE 93 3.117 2.741 1.798 720 HE2 PHE 93 2HE PHE 93 5.221 0.355 4.608 721 HZ PHE 93 HZ PHE 93 3.662 0.540 2.726 722 H THR 94 H THR 94 6.974 5.307 1.334 723 HA THR 94 HA THR 94 4.926 7.367 0.843 724 HB THR 94 HB THR 94 7.572 6.831 -0.601 725 HG1 THR 94 1HG THR 94 7.576 8.216 1.314 726 1HG2 THR 94 1HG2 THR 94 6.874 8.123 -2.383 727 2HG2 THR 94 2HG2 THR 94 5.243 7.609 -1.891 728 3HG2 THR 94 3HG2 THR 94 5.886 9.176 -1.342 729 H ILE 95 H ILE 95 3.244 6.801 -0.425 730 HA ILE 95 HA ILE 95 3.448 4.141 -1.657 731 HB ILE 95 HB ILE 95 1.859 3.855 -0.045 732 1HG1 ILE 95 1HG1 ILE 95 0.981 3.435 -2.390 733 2HG1 ILE 95 2HG1 ILE 95 -0.214 3.576 -1.116 734 1HG2 ILE 95 1HG2 ILE 95 1.278 6.769 -0.412 735 2HG2 ILE 95 2HG2 ILE 95 0.028 5.714 0.290 736 3HG2 ILE 95 3HG2 ILE 95 1.623 5.845 1.070 737 1HD1 ILE 95 1HD1 ILE 95 -0.055 5.101 -3.514 738 2HD1 ILE 95 2HD1 ILE 95 -1.195 5.325 -2.165 739 3HD1 ILE 95 3HD1 ILE 95 0.345 6.218 -2.187 740 H VAL 96 H VAL 96 2.591 3.853 -3.777 741 HA VAL 96 HA VAL 96 1.790 6.305 -5.143 742 HB VAL 96 HB VAL 96 3.895 4.431 -6.227 743 1HG1 VAL 96 1HG1 VAL 96 3.559 5.511 -8.147 744 2HG1 VAL 96 2HG1 VAL 96 2.298 6.509 -7.385 745 3HG1 VAL 96 3HG1 VAL 96 3.995 7.045 -7.356 746 1HG2 VAL 96 1HG2 VAL 96 4.841 5.508 -4.274 747 2HG2 VAL 96 2HG2 VAL 96 5.525 6.249 -5.741 748 3HG2 VAL 96 3HG2 VAL 96 4.259 7.098 -4.822 749 H HIS 97 H HIS 97 -0.142 5.901 -6.073 750 HA HIS 97 HA HIS 97 -0.535 3.203 -7.138 751 1HB HIS 97 1HB HIS 97 -1.730 3.677 -4.934 752 2HB HIS 97 2HB HIS 97 -2.710 4.833 -5.813 753 HD1 HIS 97 1HD HIS 97 -4.941 3.640 -5.820 754 HD2 HIS 97 2HD HIS 97 -1.800 1.214 -7.178 755 HE1 HIS 97 1HE HIS 97 -6.019 1.504 -6.707 756 H SER 98 H SER 98 -1.407 3.096 -9.199 757 HA SER 98 HA SER 98 -2.636 5.452 -10.270 758 1HB SER 98 1HB SER 98 -0.093 4.307 -11.508 759 2HB SER 98 2HB SER 98 -1.108 5.525 -12.256 760 HG SER 98 HG SER 98 -0.709 6.816 -10.211 761 H GLY 99 H GLY 99 -3.433 4.960 -12.616 762 1HA GLY 99 1HA GLY 99 -3.753 3.129 -14.214 763 2HA GLY 99 2HA GLY 99 -4.019 2.067 -12.846 764 H TRP 100 H TRP 100 -5.194 5.425 -13.604 765 HA TRP 100 HA TRP 100 -7.916 4.403 -13.165 766 1HB TRP 100 1HB TRP 100 -7.013 7.266 -12.881 767 2HB TRP 100 2HB TRP 100 -8.534 6.555 -12.378 768 HD1 TRP 100 HD TRP 100 -4.932 6.993 -11.194 769 HE1 TRP 100 1HE TRP 100 -4.611 6.173 -8.706 770 HE3 TRP 100 3HE TRP 100 -9.497 4.793 -10.776 771 HZ2 TRP 100 2HZ TRP 100 -6.266 4.729 -6.884 772 HZ3 TRP 100 3HZ TRP 100 -10.066 3.701 -8.609 773 HH2 TRP 100 HH TRP 100 -8.536 3.645 -6.703 774 H LYS 101 H LYS 101 -9.491 6.182 -14.387 775 HA LYS 101 HA LYS 101 -8.532 6.124 -17.153 776 1HB LYS 101 1HB LYS 101 -11.343 6.194 -16.017 777 2HB LYS 101 2HB LYS 101 -10.957 6.268 -17.724 778 1HG LYS 101 1HG LYS 101 -9.586 4.066 -17.287 779 2HG LYS 101 2HG LYS 101 -10.497 3.968 -15.793 780 1HD LYS 101 1HD LYS 101 -12.536 3.607 -16.886 781 2HD LYS 101 2HD LYS 101 -12.046 4.474 -18.327 782 1HE LYS 101 1HE LYS 101 -10.278 2.485 -18.561 783 2HE LYS 101 2HE LYS 101 -11.396 1.633 -17.514 784 1HZ LYS 101 1HZ LYS 101 -12.544 1.237 -19.338 785 2HZ LYS 101 2HZ LYS 101 -12.964 2.815 -19.390 786 3HZ LYS 101 3HZ LYS 101 -11.675 2.285 -20.242 787 H GLN 102 H GLN 102 -10.226 8.006 -18.307 788 HA GLN 102 HA GLN 102 -8.833 10.310 -17.904 789 1HB GLN 102 1HB GLN 102 -11.076 9.425 -19.479 790 2HB GLN 102 2HB GLN 102 -11.480 10.993 -18.808 791 1HG GLN 102 1HG GLN 102 -8.833 11.361 -19.604 792 2HG GLN 102 2HG GLN 102 -9.443 10.282 -20.843 793 1HE2 GLN 102 1HE2 GLN 102 -10.524 13.109 -18.959 794 2HE2 GLN 102 2HE2 GLN 102 -11.234 13.989 -20.272 795 H GLY 103 H GLY 103 -9.126 12.216 -16.683 796 1HA GLY 103 1HA GLY 103 -10.444 11.920 -14.189 797 2HA GLY 103 2HA GLY 103 -9.679 13.363 -14.824 798 H ASP 104 H ASP 104 -12.567 11.309 -15.673 799 HA ASP 104 HA ASP 104 -14.395 13.267 -15.035 800 1HB ASP 104 1HB ASP 104 -13.079 13.863 -17.454 801 2HB ASP 104 2HB ASP 104 -14.571 13.107 -17.976 802 H THR 105 H THR 105 -13.466 10.696 -17.413 803 HA THR 105 HA THR 105 -15.997 9.676 -17.928 804 HB THR 105 HB THR 105 -13.665 9.222 -19.019 805 HG1 THR 105 1HG THR 105 -15.596 8.084 -19.641 806 1HG2 THR 105 1HG2 THR 105 -12.188 7.861 -17.929 807 2HG2 THR 105 2HG2 THR 105 -13.215 7.984 -16.480 808 3HG2 THR 105 3HG2 THR 105 -13.468 6.658 -17.640 809 H LYS 106 H LYS 106 -16.617 7.302 -17.275 810 HA LYS 106 HA LYS 106 -16.462 7.226 -14.341 811 1HB LYS 106 1HB LYS 106 -18.690 7.804 -14.988 812 2HB LYS 106 2HB LYS 106 -18.739 6.558 -16.219 813 1HG LYS 106 1HG LYS 106 -18.668 4.787 -14.528 814 2HG LYS 106 2HG LYS 106 -18.373 5.949 -13.250 815 1HD LYS 106 1HD LYS 106 -20.666 5.705 -12.992 816 2HD LYS 106 2HD LYS 106 -20.662 7.024 -14.146 817 1HE LYS 106 1HE LYS 106 -21.235 5.618 -15.966 818 2HE LYS 106 2HE LYS 106 -20.643 4.173 -15.171 819 1HZ LYS 106 1HZ LYS 106 -22.800 3.904 -14.740 820 2HZ LYS 106 2HZ LYS 106 -22.540 4.930 -13.496 821 3HZ LYS 106 3HZ LYS 106 -23.178 5.486 -14.893 822 H VAL 107 H VAL 107 -16.366 5.100 -13.343 823 HA VAL 107 HA VAL 107 -14.697 3.345 -14.854 824 HB VAL 107 HB VAL 107 -15.916 3.132 -12.094 825 1HG1 VAL 107 1HG1 VAL 107 -13.724 1.589 -11.940 826 2HG1 VAL 107 2HG1 VAL 107 -15.321 0.952 -12.400 827 3HG1 VAL 107 3HG1 VAL 107 -14.121 1.336 -13.657 828 1HG2 VAL 107 1HG2 VAL 107 -13.970 4.896 -13.028 829 2HG2 VAL 107 2HG2 VAL 107 -14.286 4.461 -11.331 830 3HG2 VAL 107 3HG2 VAL 107 -13.040 3.589 -12.256 831 H GLU 108 H GLU 108 -15.185 1.343 -15.748 832 HA GLU 108 HA GLU 108 -18.010 0.897 -16.093 833 1HB GLU 108 1HB GLU 108 -16.206 0.881 -17.972 834 2HB GLU 108 2HB GLU 108 -15.767 -0.705 -17.370 835 1HG GLU 108 1HG GLU 108 -17.814 -1.672 -17.998 836 2HG GLU 108 2HG GLU 108 -18.686 -0.155 -17.905 837 H LYS 109 H LYS 109 -16.895 0.412 -13.446 838 HA LYS 109 HA LYS 109 -17.895 -2.212 -13.060 839 1HB LYS 109 1HB LYS 109 -15.454 -2.509 -13.913 840 2HB LYS 109 2HB LYS 109 -14.986 -1.943 -12.322 841 1HG LYS 109 1HG LYS 109 -15.792 -3.837 -11.247 842 2HG LYS 109 2HG LYS 109 -17.105 -4.062 -12.385 843 1HD LYS 109 1HD LYS 109 -15.684 -5.094 -14.012 844 2HD LYS 109 2HD LYS 109 -14.225 -4.488 -13.254 845 1HE LYS 109 1HE LYS 109 -14.066 -6.437 -12.104 846 2HE LYS 109 2HE LYS 109 -15.521 -6.002 -11.230 847 1HZ LYS 109 1HZ LYS 109 -16.664 -6.904 -13.336 848 2HZ LYS 109 2HZ LYS 109 -15.253 -7.689 -13.581 849 3HZ LYS 109 3HZ LYS 109 -16.106 -7.951 -12.213 850 H ALA 110 H ALA 110 -18.593 0.439 -12.244 851 HA ALA 110 HA ALA 110 -19.078 0.085 -9.586 852 1HB ALA 110 1HB ALA 110 -17.192 2.144 -9.146 853 2HB ALA 110 2HB ALA 110 -17.132 0.475 -8.530 854 3HB ALA 110 3HB ALA 110 -16.328 0.887 -10.063 855 H GLY 111 H GLY 111 -20.913 1.269 -9.472 856 1HA GLY 111 1HA GLY 111 -21.843 3.077 -11.243 857 2HA GLY 111 2HA GLY 111 -22.256 3.087 -9.540 858 H ALA 112 H ALA 112 -19.425 3.642 -8.667 859 HA ALA 112 HA ALA 112 -19.593 6.486 -8.864 860 1HB ALA 112 1HB ALA 112 -17.124 5.322 -7.760 861 2HB ALA 112 2HB ALA 112 -18.317 6.402 -6.999 862 3HB ALA 112 3HB ALA 112 -18.605 4.646 -7.041 863 H GLU 113 H GLU 113 -17.877 7.895 -9.691 864 HA GLU 113 HA GLU 113 -16.893 6.851 -12.161 865 1HB GLU 113 1HB GLU 113 -16.836 9.602 -10.866 866 2HB GLU 113 2HB GLU 113 -16.025 9.277 -12.385 867 1HG GLU 113 1HG GLU 113 -17.993 9.150 -13.565 868 2HG GLU 113 2HG GLU 113 -18.823 8.279 -12.291 869 H SER 114 H SER 114 -14.562 7.229 -12.843 870 HA SER 114 HA SER 114 -12.865 5.925 -11.171 871 1HB SER 114 1HB SER 114 -12.302 6.059 -13.482 872 2HB SER 114 2HB SER 114 -12.404 7.808 -13.502 873 HG SER 114 HG SER 114 -10.478 6.580 -11.779 874 H ALA 115 H ALA 115 -13.277 9.487 -11.685 875 HA ALA 115 HA ALA 115 -11.208 10.292 -9.996 876 1HB ALA 115 1HB ALA 115 -12.533 11.631 -11.732 877 2HB ALA 115 2HB ALA 115 -13.803 11.786 -10.495 878 3HB ALA 115 3HB ALA 115 -12.183 12.460 -10.196 879 H VAL 116 H VAL 116 -14.665 9.481 -9.402 880 HA VAL 116 HA VAL 116 -14.704 10.350 -6.736 881 HB VAL 116 HB VAL 116 -16.329 8.370 -8.328 882 1HG1 VAL 116 1HG1 VAL 116 -17.990 8.752 -6.334 883 2HG1 VAL 116 2HG1 VAL 116 -16.714 7.517 -6.210 884 3HG1 VAL 116 3HG1 VAL 116 -16.504 9.097 -5.416 885 1HG2 VAL 116 1HG2 VAL 116 -18.016 10.111 -8.332 886 2HG2 VAL 116 2HG2 VAL 116 -17.016 11.133 -7.271 887 3HG2 VAL 116 3HG2 VAL 116 -16.478 10.780 -8.931 888 H VAL 117 H VAL 117 -14.060 7.125 -8.255 889 HA VAL 117 HA VAL 117 -13.663 5.803 -5.810 890 HB VAL 117 HB VAL 117 -12.823 5.249 -8.655 891 1HG1 VAL 117 1HG1 VAL 117 -12.119 3.051 -8.026 892 2HG1 VAL 117 2HG1 VAL 117 -11.260 4.200 -6.972 893 3HG1 VAL 117 3HG1 VAL 117 -12.656 3.290 -6.346 894 1HG2 VAL 117 1HG2 VAL 117 -15.016 4.142 -6.872 895 2HG2 VAL 117 2HG2 VAL 117 -15.210 5.156 -8.322 896 3HG2 VAL 117 3HG2 VAL 117 -14.595 3.493 -8.475 897 H HIS 118 H HIS 118 -11.392 7.341 -8.177 898 HA HIS 118 HA HIS 118 -9.037 6.670 -7.022 899 1HB HIS 118 1HB HIS 118 -8.780 7.789 -8.996 900 2HB HIS 118 2HB HIS 118 -10.017 8.974 -8.630 901 HD1 HIS 118 1HD HIS 118 -9.274 10.871 -6.782 902 HD2 HIS 118 2HD HIS 118 -6.204 8.667 -8.603 903 HE1 HIS 118 1HE HIS 118 -7.124 12.192 -6.403 904 H GLU 119 H GLU 119 -11.082 9.565 -6.218 905 HA GLU 119 HA GLU 119 -9.434 10.441 -4.180 906 1HB GLU 119 1HB GLU 119 -12.397 10.834 -4.742 907 2HB GLU 119 2HB GLU 119 -11.601 11.622 -3.395 908 1HG GLU 119 1HG GLU 119 -9.903 12.569 -5.047 909 2HG GLU 119 2HG GLU 119 -10.871 11.903 -6.347 910 H ARG 120 H ARG 120 -12.288 8.227 -4.175 911 HA ARG 120 HA ARG 120 -12.512 7.991 -1.454 912 1HB ARG 120 1HB ARG 120 -13.475 6.588 -3.844 913 2HB ARG 120 2HB ARG 120 -13.158 5.444 -2.555 914 1HG ARG 120 1HG ARG 120 -14.448 7.417 -1.141 915 2HG ARG 120 2HG ARG 120 -15.209 7.615 -2.707 916 1HD ARG 120 1HD ARG 120 -16.589 6.003 -1.661 917 2HD ARG 120 2HD ARG 120 -15.540 5.016 -2.661 918 HE ARG 120 HE ARG 120 -14.127 5.120 -0.314 919 1HH1 ARG 120 2HH2 ARG 120 -17.496 4.377 -1.007 920 2HH1 ARG 120 1HH2 ARG 120 -17.672 3.311 0.346 921 1HH2 ARG 120 2HH1 ARG 120 -14.359 3.714 1.473 922 2HH2 ARG 120 1HH1 ARG 120 -15.876 2.932 1.766 923 H MET 121 H MET 121 -10.990 5.590 -3.744 924 HA MET 121 HA MET 121 -9.865 4.028 -1.806 925 1HB MET 121 1HB MET 121 -9.710 4.407 -4.700 926 2HB MET 121 2HB MET 121 -8.101 4.084 -4.085 927 1HG MET 121 1HG MET 121 -10.334 2.344 -3.057 928 2HG MET 121 2HG MET 121 -9.831 2.098 -4.717 929 1HE MET 121 1HE MET 121 -8.972 -0.010 -4.727 930 2HE MET 121 2HE MET 121 -7.497 0.768 -5.350 931 3HE MET 121 3HE MET 121 -7.377 -0.508 -4.114 932 H ASP 122 H ASP 122 -8.702 7.076 -3.269 933 HA ASP 122 HA ASP 122 -6.076 6.908 -2.484 934 1HB ASP 122 1HB ASP 122 -6.849 8.645 -4.007 935 2HB ASP 122 2HB ASP 122 -7.959 9.283 -2.811 936 H ARG 123 H ARG 123 -9.016 8.273 -0.843 937 HA ARG 123 HA ARG 123 -7.769 9.310 1.348 938 1HB ARG 123 1HB ARG 123 -10.537 8.233 0.788 939 2HB ARG 123 2HB ARG 123 -10.132 8.613 2.450 940 1HG ARG 123 1HG ARG 123 -9.174 10.855 1.124 941 2HG ARG 123 2HG ARG 123 -10.567 10.441 0.145 942 1HD ARG 123 1HD ARG 123 -12.082 10.649 1.989 943 2HD ARG 123 2HD ARG 123 -10.796 10.545 3.175 944 HE ARG 123 HE ARG 123 -10.505 12.838 1.378 945 1HH1 ARG 123 2HH2 ARG 123 -12.006 11.681 4.343 946 2HH1 ARG 123 1HH2 ARG 123 -12.193 13.266 5.017 947 1HH2 ARG 123 2HH1 ARG 123 -10.750 14.928 2.267 948 2HH2 ARG 123 1HH1 ARG 123 -11.474 15.125 3.829 949 H GLY 124 H GLY 124 -9.341 6.045 0.964 950 1HA GLY 124 1HA GLY 124 -8.680 5.042 3.485 951 2HA GLY 124 2HA GLY 124 -9.038 4.102 2.050 952 H TRP 125 H TRP 125 -6.853 5.155 0.382 953 HA TRP 125 HA TRP 125 -4.869 3.334 1.026 954 1HB TRP 125 1HB TRP 125 -5.312 5.445 -0.939 955 2HB TRP 125 2HB TRP 125 -3.623 5.280 -0.505 956 HD1 TRP 125 HD TRP 125 -5.799 4.013 -3.058 957 HE1 TRP 125 1HE TRP 125 -5.098 1.689 -4.091 958 HE3 TRP 125 3HE TRP 125 -2.593 2.729 0.674 959 HZ2 TRP 125 2HZ TRP 125 -3.320 -0.380 -3.251 960 HZ3 TRP 125 3HZ TRP 125 -1.415 0.540 0.491 961 HH2 TRP 125 HH TRP 125 -1.736 -0.992 -1.386 962 H HIS 126 H HIS 126 -4.992 6.943 1.473 963 HA HIS 126 HA HIS 126 -2.545 7.085 2.803 964 1HB HIS 126 1HB HIS 126 -4.118 8.901 1.708 965 2HB HIS 126 2HB HIS 126 -4.761 9.036 3.333 966 HD1 HIS 126 1HD HIS 126 -3.777 11.471 3.500 967 HD2 HIS 126 2HD HIS 126 -0.909 8.445 3.040 968 HE1 HIS 126 1HE HIS 126 -1.524 12.532 4.054 969 H ASP 127 H ASP 127 -5.954 6.902 4.025 970 HA ASP 127 HA ASP 127 -5.425 7.111 6.669 971 1HB ASP 127 1HB ASP 127 -7.441 5.317 5.240 972 2HB ASP 127 2HB ASP 127 -7.485 5.627 6.964 973 H LEU 128 H LEU 128 -5.303 4.220 4.492 974 HA LEU 128 HA LEU 128 -4.836 2.311 6.470 975 1HB LEU 128 1HB LEU 128 -5.577 1.685 4.296 976 2HB LEU 128 2HB LEU 128 -4.186 2.426 3.529 977 HG LEU 128 HG LEU 128 -2.746 0.721 4.752 978 1HD1 LEU 128 1HD1 LEU 128 -3.611 -0.773 6.152 979 2HD1 LEU 128 2HD1 LEU 128 -5.131 0.151 6.081 980 3HD1 LEU 128 3HD1 LEU 128 -4.878 -1.233 4.990 981 1HD2 LEU 128 1HD2 LEU 128 -3.792 0.678 2.301 982 2HD2 LEU 128 2HD2 LEU 128 -2.803 -0.655 2.944 983 3HD2 LEU 128 3HD2 LEU 128 -4.578 -0.782 2.949 984 H VAL 129 H VAL 129 -2.536 4.184 4.381 985 HA VAL 129 HA VAL 129 -0.352 3.214 6.040 986 HB VAL 129 HB VAL 129 -0.214 3.167 3.574 987 1HG1 VAL 129 1HG1 VAL 129 0.327 6.038 3.278 988 2HG1 VAL 129 2HG1 VAL 129 -0.609 4.933 2.243 989 3HG1 VAL 129 3HG1 VAL 129 -1.369 5.673 3.673 990 1HG2 VAL 129 1HG2 VAL 129 1.720 4.494 5.368 991 2HG2 VAL 129 2HG2 VAL 129 1.936 3.123 4.255 992 3HG2 VAL 129 3HG2 VAL 129 1.987 4.790 3.633 993 H ASN 130 H ASN 130 -2.265 4.829 7.396 994 HA ASN 130 HA ASN 130 -0.698 7.270 7.705 995 1HB ASN 130 1HB ASN 130 -3.569 6.859 7.327 996 2HB ASN 130 2HB ASN 130 -3.291 7.625 8.879 997 1HD2 ASN 130 1HD2 ASN 130 -1.603 7.798 5.748 998 2HD2 ASN 130 2HD2 ASN 130 -1.714 9.513 5.531 999 H GLU 131 H GLU 131 -3.100 5.081 9.373 1000 HA GLU 131 HA GLU 131 -1.397 5.258 11.731 1001 1HB GLU 131 1HB GLU 131 -3.476 5.173 13.133 1002 2HB GLU 131 2HB GLU 131 -3.347 6.638 12.179 1003 1HG GLU 131 1HG GLU 131 -5.502 6.121 11.575 1004 2HG GLU 131 2HG GLU 131 -4.712 5.089 10.399 1005 H ARG 132 H ARG 132 -3.882 3.422 9.869 1006 HA ARG 132 HA ARG 132 -4.004 1.173 11.325 1007 1HB ARG 132 1HB ARG 132 -3.856 1.379 8.274 1008 2HB ARG 132 2HB ARG 132 -4.478 -0.009 9.145 1009 1HG ARG 132 1HG ARG 132 -5.686 2.595 9.950 1010 2HG ARG 132 2HG ARG 132 -6.013 2.127 8.293 1011 1HD ARG 132 1HD ARG 132 -7.117 0.117 8.938 1012 2HD ARG 132 2HD ARG 132 -6.370 0.098 10.523 1013 HE ARG 132 HE ARG 132 -8.025 1.568 11.310 1014 1HH1 ARG 132 2HH2 ARG 132 -8.097 1.489 7.793 1015 2HH1 ARG 132 1HH2 ARG 132 -9.570 2.394 7.675 1016 1HH2 ARG 132 2HH1 ARG 132 -9.968 2.762 11.156 1017 2HH2 ARG 132 1HH1 ARG 132 -10.641 3.123 9.601 1018 H LEU 133 H LEU 133 -1.424 2.217 9.048 1019 HA LEU 133 HA LEU 133 -0.027 -0.284 9.274 1020 1HB LEU 133 1HB LEU 133 0.236 0.648 7.199 1021 2HB LEU 133 2HB LEU 133 0.329 2.288 7.810 1022 HG LEU 133 HG LEU 133 2.606 1.811 8.687 1023 1HD1 LEU 133 1HD1 LEU 133 1.937 -0.826 8.491 1024 2HD1 LEU 133 2HD1 LEU 133 2.960 -0.611 7.051 1025 3HD1 LEU 133 3HD1 LEU 133 3.595 -0.201 8.662 1026 1HD2 LEU 133 1HD2 LEU 133 2.722 1.097 5.791 1027 2HD2 LEU 133 2HD2 LEU 133 1.934 2.624 6.256 1028 3HD2 LEU 133 3HD2 LEU 133 3.628 2.322 6.712 1029 H ARG 134 H ARG 134 0.338 3.108 10.477 1030 HA ARG 134 HA ARG 134 2.719 2.791 11.732 1031 1HB ARG 134 1HB ARG 134 1.382 4.936 11.476 1032 2HB ARG 134 2HB ARG 134 0.333 4.401 12.774 1033 1HG ARG 134 1HG ARG 134 2.581 4.133 14.144 1034 2HG ARG 134 2HG ARG 134 3.261 5.181 12.916 1035 1HD ARG 134 1HD ARG 134 2.482 6.917 14.175 1036 2HD ARG 134 2HD ARG 134 0.894 6.507 13.557 1037 HE ARG 134 HE ARG 134 1.725 4.943 15.911 1038 1HH1 ARG 134 2HH2 ARG 134 0.047 7.809 14.750 1039 2HH1 ARG 134 1HH2 ARG 134 -0.888 8.004 16.195 1040 1HH2 ARG 134 2HH1 ARG 134 0.493 5.199 17.818 1041 2HH2 ARG 134 1HH1 ARG 134 -0.632 6.509 17.952 1042 H GLN 135 H GLN 135 -0.538 1.702 12.692 1043 HA GLN 135 HA GLN 135 0.094 1.220 15.376 1044 1HB GLN 135 1HB GLN 135 -2.200 1.115 13.739 1045 2HB GLN 135 2HB GLN 135 -1.989 -0.536 14.288 1046 1HG GLN 135 1HG GLN 135 -1.691 0.453 16.669 1047 2HG GLN 135 2HG GLN 135 -2.274 1.966 16.004 1048 1HE2 GLN 135 1HE2 GLN 135 -3.158 -0.715 17.619 1049 2HE2 GLN 135 2HE2 GLN 135 -4.840 -0.831 17.220 1050 H ILE 136 H ILE 136 1.252 -0.216 12.547 1051 HA ILE 136 HA ILE 136 1.361 -2.907 13.596 1052 HB ILE 136 HB ILE 136 2.548 -1.719 11.086 1053 1HG1 ILE 136 1HG1 ILE 136 0.109 -1.449 11.146 1054 2HG1 ILE 136 2HG1 ILE 136 0.613 -2.590 9.915 1055 1HG2 ILE 136 1HG2 ILE 136 2.599 -4.078 10.321 1056 2HG2 ILE 136 2HG2 ILE 136 3.677 -3.758 11.700 1057 3HG2 ILE 136 3HG2 ILE 136 2.125 -4.589 11.958 1058 1HD1 ILE 136 1HD1 ILE 136 0.156 -4.469 11.578 1059 2HD1 ILE 136 2HD1 ILE 136 -0.559 -3.243 12.652 1060 3HD1 ILE 136 3HD1 ILE 136 -1.284 -3.562 11.059 1061 H VAL 137 H VAL 137 3.248 0.050 13.580 1062 HA VAL 137 HA VAL 137 5.542 -1.469 14.612 1063 HB VAL 137 HB VAL 137 6.904 0.419 13.940 1064 1HG1 VAL 137 1HG1 VAL 137 5.675 -1.411 12.234 1065 2HG1 VAL 137 2HG1 VAL 137 5.514 0.147 11.389 1066 3HG1 VAL 137 3HG1 VAL 137 7.122 -0.436 11.883 1067 1HG2 VAL 137 1HG2 VAL 137 4.261 1.651 13.135 1068 2HG2 VAL 137 2HG2 VAL 137 5.517 2.311 14.209 1069 3HG2 VAL 137 3HG2 VAL 137 5.813 2.200 12.458 1070 H GLU 138 H GLU 138 2.939 0.715 15.331 1071 HA GLU 138 HA GLU 138 4.307 1.537 17.764 1072 1HB GLU 138 1HB GLU 138 2.105 2.722 16.094 1073 2HB GLU 138 2HB GLU 138 2.072 3.042 17.816 1074 1HG GLU 138 1HG GLU 138 4.777 3.365 16.683 1075 2HG GLU 138 2HG GLU 138 3.609 4.412 15.902 Start of MODEL 6 1 1H MET 1 H MET 1 -3.638 20.254 -14.711 2 HA MET 1 HA MET 1 -1.823 19.046 -15.421 3 1HB MET 1 1HB MET 1 -2.224 17.824 -12.743 4 2HB MET 1 2HB MET 1 -1.812 16.631 -13.959 5 1HG MET 1 1HG MET 1 -0.209 19.204 -13.754 6 2HG MET 1 2HG MET 1 0.125 17.874 -12.663 7 1HE MET 1 1HE MET 1 1.829 16.166 -13.191 8 2HE MET 1 2HE MET 1 2.824 16.361 -14.654 9 3HE MET 1 3HE MET 1 2.564 17.744 -13.564 10 H THR 2 H THR 2 -1.813 16.279 -15.899 11 HA THR 2 HA THR 2 -4.059 16.047 -17.632 12 HB THR 2 HB THR 2 -1.717 15.206 -18.090 13 HG1 THR 2 1HG THR 2 -2.743 13.569 -19.230 14 1HG2 THR 2 1HG2 THR 2 -1.889 12.636 -16.907 15 2HG2 THR 2 2HG2 THR 2 -0.711 13.906 -16.498 16 3HG2 THR 2 3HG2 THR 2 -2.229 13.770 -15.578 17 H ARG 3 H ARG 3 -4.583 13.225 -17.396 18 HA ARG 3 HA ARG 3 -6.787 13.313 -15.840 19 1HB ARG 3 1HB ARG 3 -6.744 10.796 -15.963 20 2HB ARG 3 2HB ARG 3 -6.424 11.552 -17.510 21 1HG ARG 3 1HG ARG 3 -4.069 11.103 -17.376 22 2HG ARG 3 2HG ARG 3 -4.143 10.769 -15.657 23 1HD ARG 3 1HD ARG 3 -4.704 8.582 -16.000 24 2HD ARG 3 2HD ARG 3 -5.945 8.998 -17.165 25 HE ARG 3 HE ARG 3 -3.259 9.345 -18.250 26 1HH1 ARG 3 2HH2 ARG 3 -5.795 6.986 -17.628 27 2HH1 ARG 3 1HH2 ARG 3 -5.264 5.899 -18.867 28 1HH2 ARG 3 2HH1 ARG 3 -2.558 7.911 -19.885 29 2HH2 ARG 3 1HH1 ARG 3 -3.411 6.428 -20.160 30 H LEU 4 H LEU 4 -6.971 11.254 -14.021 31 HA LEU 4 HA LEU 4 -5.915 12.317 -11.712 32 1HB LEU 4 1HB LEU 4 -6.753 9.459 -12.220 33 2HB LEU 4 2HB LEU 4 -6.611 10.237 -10.656 34 HG LEU 4 HG LEU 4 -8.513 11.216 -12.794 35 1HD1 LEU 4 1HD1 LEU 4 -10.025 9.940 -10.828 36 2HD1 LEU 4 2HD1 LEU 4 -9.736 9.385 -12.494 37 3HD1 LEU 4 3HD1 LEU 4 -8.689 8.815 -11.173 38 1HD2 LEU 4 1HD2 LEU 4 -8.350 11.699 -9.807 39 2HD2 LEU 4 2HD2 LEU 4 -8.010 12.868 -11.106 40 3HD2 LEU 4 3HD2 LEU 4 -9.666 12.259 -10.867 41 HA PRO 5 HA PRO 5 -1.771 10.994 -12.207 42 1HB PRO 5 1HB PRO 5 -0.710 12.492 -10.183 43 2HB PRO 5 2HB PRO 5 -0.932 13.101 -11.811 44 1HG PRO 5 1HG PRO 5 -2.512 13.685 -9.381 45 2HG PRO 5 2HG PRO 5 -2.441 14.580 -10.886 46 1HD PRO 5 1HD PRO 5 -4.545 12.829 -10.028 47 2HD PRO 5 2HD PRO 5 -4.418 13.633 -11.580 48 H ASP 6 H ASP 6 -0.348 9.489 -11.329 49 HA ASP 6 HA ASP 6 -1.392 7.544 -9.896 50 1HB ASP 6 1HB ASP 6 0.866 6.882 -9.267 51 2HB ASP 6 2HB ASP 6 0.927 7.607 -10.861 52 H ILE 7 H ILE 7 -2.441 7.545 -7.901 53 HA ILE 7 HA ILE 7 -2.325 9.665 -6.115 54 HB ILE 7 HB ILE 7 -3.246 6.810 -5.883 55 1HG1 ILE 7 1HG1 ILE 7 -4.877 9.356 -5.897 56 2HG1 ILE 7 2HG1 ILE 7 -4.415 8.534 -7.373 57 1HG2 ILE 7 1HG2 ILE 7 -4.302 7.377 -3.759 58 2HG2 ILE 7 2HG2 ILE 7 -2.533 7.543 -3.655 59 3HG2 ILE 7 3HG2 ILE 7 -3.556 8.992 -3.802 60 1HD1 ILE 7 1HD1 ILE 7 -5.672 6.898 -5.171 61 2HD1 ILE 7 2HD1 ILE 7 -6.713 7.954 -6.156 62 3HD1 ILE 7 3HD1 ILE 7 -5.755 6.671 -6.935 63 H LYS 8 H LYS 8 -0.189 10.271 -5.624 64 HA LYS 8 HA LYS 8 1.409 8.231 -4.265 65 1HB LYS 8 1HB LYS 8 2.651 9.182 -6.018 66 2HB LYS 8 2HB LYS 8 2.077 10.804 -5.686 67 1HG LYS 8 1HG LYS 8 3.287 10.717 -3.455 68 2HG LYS 8 2HG LYS 8 3.943 9.158 -3.914 69 1HD LYS 8 1HD LYS 8 5.540 10.114 -5.220 70 2HD LYS 8 2HD LYS 8 4.360 11.098 -6.062 71 1HE LYS 8 1HE LYS 8 4.497 12.296 -3.524 72 2HE LYS 8 2HE LYS 8 6.157 11.827 -3.835 73 1HZ LYS 8 1HZ LYS 8 4.487 13.686 -5.299 74 2HZ LYS 8 2HZ LYS 8 6.065 13.803 -4.895 75 3HZ LYS 8 3HZ LYS 8 5.611 12.856 -6.146 76 H LYS 9 H LYS 9 1.700 8.278 -2.089 77 HA LYS 9 HA LYS 9 1.051 10.786 -0.724 78 1HB LYS 9 1HB LYS 9 -0.297 8.161 -0.454 79 2HB LYS 9 2HB LYS 9 0.132 8.942 1.054 80 1HG LYS 9 1HG LYS 9 -1.866 10.037 0.744 81 2HG LYS 9 2HG LYS 9 -0.893 11.098 -0.256 82 1HD LYS 9 1HD LYS 9 -2.239 10.577 -2.005 83 2HD LYS 9 2HD LYS 9 -1.569 8.958 -1.974 84 1HE LYS 9 1HE LYS 9 -3.984 8.751 -1.817 85 2HE LYS 9 2HE LYS 9 -3.317 8.313 -0.257 86 1HZ LYS 9 1HZ LYS 9 -3.754 10.602 0.453 87 2HZ LYS 9 2HZ LYS 9 -4.485 10.910 -0.974 88 3HZ LYS 9 3HZ LYS 9 -5.118 9.802 0.045 89 H GLU 10 H GLU 10 1.972 10.828 1.542 90 HA GLU 10 HA GLU 10 4.138 8.965 1.908 91 1HB GLU 10 1HB GLU 10 5.043 10.899 0.538 92 2HB GLU 10 2HB GLU 10 4.652 11.971 1.868 93 1HG GLU 10 1HG GLU 10 6.259 9.525 2.547 94 2HG GLU 10 2HG GLU 10 7.075 10.759 1.608 95 H VAL 11 H VAL 11 4.598 8.606 4.100 96 HA VAL 11 HA VAL 11 3.360 10.445 6.007 97 HB VAL 11 HB VAL 11 2.709 8.295 7.281 98 1HG1 VAL 11 1HG1 VAL 11 1.322 10.048 5.665 99 2HG1 VAL 11 2HG1 VAL 11 0.860 8.461 5.004 100 3HG1 VAL 11 3HG1 VAL 11 0.596 8.819 6.728 101 1HG2 VAL 11 1HG2 VAL 11 2.420 7.083 4.545 102 2HG2 VAL 11 2HG2 VAL 11 3.954 6.907 5.432 103 3HG2 VAL 11 3HG2 VAL 11 2.440 6.297 6.143 104 H ARG 12 H ARG 12 4.257 10.133 8.245 105 HA ARG 12 HA ARG 12 6.913 8.956 8.077 106 1HB ARG 12 1HB ARG 12 7.117 11.419 8.009 107 2HB ARG 12 2HB ARG 12 6.096 11.578 9.424 108 1HG ARG 12 1HG ARG 12 7.933 9.964 10.527 109 2HG ARG 12 2HG ARG 12 8.944 10.591 9.241 110 1HD ARG 12 1HD ARG 12 8.660 12.877 9.997 111 2HD ARG 12 2HD ARG 12 7.351 12.434 11.075 112 HE ARG 12 HE ARG 12 9.751 10.959 11.740 113 1HH1 ARG 12 2HH2 ARG 12 8.258 14.131 12.043 114 2HH1 ARG 12 1HH2 ARG 12 9.140 14.550 13.474 115 1HH2 ARG 12 2HH1 ARG 12 10.914 11.511 13.627 116 2HH2 ARG 12 1HH1 ARG 12 10.661 13.050 14.381 117 H PHE 13 H PHE 13 7.229 7.392 9.638 118 HA PHE 13 HA PHE 13 5.541 7.574 12.034 119 1HB PHE 13 1HB PHE 13 6.644 5.128 10.525 120 2HB PHE 13 2HB PHE 13 5.612 5.047 11.939 121 HD1 PHE 13 1HD PHE 13 5.261 3.963 9.000 122 HD2 PHE 13 2HD PHE 13 3.704 7.292 11.122 123 HE1 PHE 13 1HE PHE 13 3.234 3.959 7.520 124 HE2 PHE 13 2HE PHE 13 1.677 7.287 9.641 125 HZ PHE 13 HZ PHE 13 1.467 5.621 7.858 126 H ASN 14 H ASN 14 6.486 6.833 14.037 127 HA ASN 14 HA ASN 14 9.345 7.174 13.997 128 1HB ASN 14 1HB ASN 14 7.226 7.832 15.815 129 2HB ASN 14 2HB ASN 14 8.220 6.651 16.645 130 1HD2 ASN 14 1HD2 ASN 14 7.796 9.587 16.969 131 2HD2 ASN 14 2HD2 ASN 14 9.372 10.306 16.979 132 H ALA 15 H ALA 15 10.256 5.156 13.367 133 HA ALA 15 HA ALA 15 10.395 3.118 15.255 134 1HB ALA 15 1HB ALA 15 7.952 2.959 14.161 135 2HB ALA 15 2HB ALA 15 8.856 2.082 12.903 136 3HB ALA 15 3HB ALA 15 8.890 1.508 14.588 137 HA PRO 16 HA PRO 16 13.610 2.039 12.568 138 1HB PRO 16 1HB PRO 16 13.931 -0.654 12.909 139 2HB PRO 16 2HB PRO 16 14.521 0.534 14.054 140 1HG PRO 16 1HG PRO 16 12.172 -1.246 14.275 141 2HG PRO 16 2HG PRO 16 13.016 -0.380 15.543 142 1HD PRO 16 1HD PRO 16 10.500 0.329 14.362 143 2HD PRO 16 2HD PRO 16 11.400 1.255 15.546 144 H ILE 17 H ILE 17 14.029 1.870 10.438 145 HA ILE 17 HA ILE 17 11.905 1.266 8.764 146 HB ILE 17 HB ILE 17 13.767 2.688 8.151 147 1HG1 ILE 17 1HG1 ILE 17 13.763 0.339 6.251 148 2HG1 ILE 17 2HG1 ILE 17 12.357 1.364 6.455 149 1HG2 ILE 17 1HG2 ILE 17 15.464 1.109 9.327 150 2HG2 ILE 17 2HG2 ILE 17 15.539 0.295 7.746 151 3HG2 ILE 17 3HG2 ILE 17 15.965 2.018 7.881 152 1HD1 ILE 17 1HD1 ILE 17 13.289 2.752 4.921 153 2HD1 ILE 17 2HD1 ILE 17 14.474 3.195 6.173 154 3HD1 ILE 17 3HD1 ILE 17 14.850 1.902 5.009 155 H GLU 18 H GLU 18 14.232 -0.798 10.408 156 HA GLU 18 HA GLU 18 14.128 -2.963 8.690 157 1HB GLU 18 1HB GLU 18 15.449 -2.351 11.027 158 2HB GLU 18 2HB GLU 18 14.321 -3.563 11.600 159 1HG GLU 18 1HG GLU 18 15.380 -4.510 9.099 160 2HG GLU 18 2HG GLU 18 16.737 -3.941 10.051 161 H LYS 19 H LYS 19 12.058 -2.005 11.489 162 HA LYS 19 HA LYS 19 10.497 -4.358 11.427 163 1HB LYS 19 1HB LYS 19 10.852 -2.620 13.320 164 2HB LYS 19 2HB LYS 19 9.587 -1.702 12.529 165 1HG LYS 19 1HG LYS 19 8.158 -3.851 12.595 166 2HG LYS 19 2HG LYS 19 9.386 -4.534 13.642 167 1HD LYS 19 1HD LYS 19 9.074 -2.512 15.181 168 2HD LYS 19 2HD LYS 19 7.712 -2.039 14.184 169 1HE LYS 19 1HE LYS 19 6.373 -3.466 15.329 170 2HE LYS 19 2HE LYS 19 7.350 -4.819 14.796 171 1HZ LYS 19 1HZ LYS 19 7.204 -4.509 17.231 172 2HZ LYS 19 2HZ LYS 19 8.734 -4.577 16.664 173 3HZ LYS 19 3HZ LYS 19 8.084 -3.140 17.088 174 H VAL 20 H VAL 20 9.900 -0.978 10.233 175 HA VAL 20 HA VAL 20 7.448 -1.464 9.086 176 HB VAL 20 HB VAL 20 9.625 0.388 8.099 177 1HG1 VAL 20 1HG1 VAL 20 7.550 0.004 6.651 178 2HG1 VAL 20 2HG1 VAL 20 6.632 0.809 7.946 179 3HG1 VAL 20 3HG1 VAL 20 7.925 1.687 7.093 180 1HG2 VAL 20 1HG2 VAL 20 7.702 0.592 10.413 181 2HG2 VAL 20 2HG2 VAL 20 9.449 0.929 10.364 182 3HG2 VAL 20 3HG2 VAL 20 8.304 2.050 9.590 183 H TRP 21 H TRP 21 10.740 -2.236 7.945 184 HA TRP 21 HA TRP 21 9.912 -2.866 5.296 185 1HB TRP 21 1HB TRP 21 12.195 -2.151 5.902 186 2HB TRP 21 2HB TRP 21 12.417 -3.637 6.803 187 HD1 TRP 21 HD TRP 21 13.869 -5.275 5.392 188 HE1 TRP 21 1HE TRP 21 14.159 -6.009 2.874 189 HE3 TRP 21 3HE TRP 21 10.377 -2.091 3.515 190 HZ2 TRP 21 2HZ TRP 21 12.923 -5.193 0.434 191 HZ3 TRP 21 3HZ TRP 21 9.980 -2.123 1.054 192 HH2 TRP 21 HH TRP 21 11.186 -3.604 -0.471 193 H GLU 22 H GLU 22 10.854 -4.793 8.237 194 HA GLU 22 HA GLU 22 10.351 -7.254 7.155 195 1HB GLU 22 1HB GLU 22 10.932 -6.140 9.744 196 2HB GLU 22 2HB GLU 22 9.620 -7.284 9.943 197 1HG GLU 22 1HG GLU 22 10.963 -9.002 8.673 198 2HG GLU 22 2HG GLU 22 12.286 -7.858 8.566 199 H ALA 23 H ALA 23 8.132 -4.736 8.175 200 HA ALA 23 HA ALA 23 5.901 -6.546 8.451 201 1HB ALA 23 1HB ALA 23 5.211 -4.836 9.732 202 2HB ALA 23 2HB ALA 23 6.582 -3.839 9.189 203 3HB ALA 23 3HB ALA 23 5.059 -3.835 8.269 204 H VAL 24 H VAL 24 7.216 -4.147 6.105 205 HA VAL 24 HA VAL 24 5.014 -4.654 4.301 206 HB VAL 24 HB VAL 24 5.933 -2.916 2.989 207 1HG1 VAL 24 1HG1 VAL 24 5.639 -2.568 5.878 208 2HG1 VAL 24 2HG1 VAL 24 6.669 -1.318 5.140 209 3HG1 VAL 24 3HG1 VAL 24 5.015 -1.579 4.535 210 1HG2 VAL 24 1HG2 VAL 24 8.155 -2.958 2.663 211 2HG2 VAL 24 2HG2 VAL 24 8.256 -1.970 4.140 212 3HG2 VAL 24 3HG2 VAL 24 8.464 -3.735 4.233 213 H SER 25 H SER 25 7.419 -6.571 5.252 214 HA SER 25 HA SER 25 8.064 -7.384 2.526 215 1HB SER 25 1HB SER 25 10.157 -8.231 3.300 216 2HB SER 25 2HB SER 25 9.985 -6.659 4.056 217 HG SER 25 HG SER 25 8.898 -8.124 5.859 218 H THR 26 H THR 26 6.843 -8.297 5.743 219 HA THR 26 HA THR 26 6.629 -11.095 4.998 220 HB THR 26 HB THR 26 5.717 -11.227 7.367 221 HG1 THR 26 1HG THR 26 4.921 -8.911 7.122 222 1HG2 THR 26 1HG2 THR 26 8.085 -11.477 7.411 223 2HG2 THR 26 2HG2 THR 26 8.358 -9.829 6.797 224 3HG2 THR 26 3HG2 THR 26 7.821 -10.076 8.476 225 H SER 27 H SER 27 4.499 -12.236 5.333 226 HA SER 27 HA SER 27 2.588 -10.815 3.760 227 1HB SER 27 1HB SER 27 2.159 -13.557 4.983 228 2HB SER 27 2HB SER 27 1.498 -12.917 3.491 229 HG SER 27 HG SER 27 3.621 -12.988 2.548 230 H GLU 28 H GLU 28 2.667 -12.451 7.009 231 HA GLU 28 HA GLU 28 0.121 -11.733 7.752 232 1HB GLU 28 1HB GLU 28 2.347 -13.053 8.909 233 2HB GLU 28 2HB GLU 28 1.955 -11.762 10.027 234 1HG GLU 28 1HG GLU 28 -0.557 -12.827 9.274 235 2HG GLU 28 2HG GLU 28 0.476 -14.232 9.455 236 H GLY 29 H GLY 29 3.247 -9.976 8.020 237 1HA GLY 29 1HA GLY 29 2.322 -7.872 9.660 238 2HA GLY 29 2HA GLY 29 3.738 -7.866 8.628 239 H LEU 30 H LEU 30 2.288 -8.469 6.114 240 HA LEU 30 HA LEU 30 1.548 -5.792 5.488 241 1HB LEU 30 1HB LEU 30 2.202 -8.256 4.099 242 2HB LEU 30 2HB LEU 30 0.829 -7.451 3.364 243 HG LEU 30 HG LEU 30 3.121 -5.686 3.990 244 1HD1 LEU 30 1HD1 LEU 30 4.711 -6.980 3.123 245 2HD1 LEU 30 2HD1 LEU 30 3.531 -8.180 2.544 246 3HD1 LEU 30 3HD1 LEU 30 3.910 -6.752 1.550 247 1HD2 LEU 30 1HD2 LEU 30 1.167 -4.850 2.817 248 2HD2 LEU 30 2HD2 LEU 30 2.593 -4.800 1.752 249 3HD2 LEU 30 3HD2 LEU 30 1.373 -6.079 1.545 250 H ALA 31 H ALA 31 -0.213 -8.965 5.608 251 HA ALA 31 HA ALA 31 -2.711 -7.912 4.992 252 1HB ALA 31 1HB ALA 31 -1.799 -10.366 5.159 253 2HB ALA 31 2HB ALA 31 -2.321 -10.255 6.857 254 3HB ALA 31 3HB ALA 31 -3.506 -10.042 5.545 255 H PHE 32 H PHE 32 -0.707 -7.498 7.781 256 HA PHE 32 HA PHE 32 -2.694 -7.283 9.746 257 1HB PHE 32 1HB PHE 32 0.113 -7.144 9.467 258 2HB PHE 32 2HB PHE 32 -0.301 -5.496 9.897 259 HD1 PHE 32 1HD PHE 32 -2.261 -5.548 11.882 260 HD2 PHE 32 2HD PHE 32 0.830 -8.387 11.257 261 HE1 PHE 32 1HE PHE 32 -2.378 -6.207 14.301 262 HE2 PHE 32 2HE PHE 32 0.713 -9.047 13.676 263 HZ PHE 32 HZ PHE 32 -0.889 -7.949 15.169 264 H TRP 33 H TRP 33 -1.863 -5.261 7.044 265 HA TRP 33 HA TRP 33 -3.644 -3.203 8.113 266 1HB TRP 33 1HB TRP 33 -2.184 -1.431 7.286 267 2HB TRP 33 2HB TRP 33 -1.448 -2.353 8.582 268 HD1 TRP 33 HD TRP 33 0.634 -4.029 7.838 269 HE1 TRP 33 1HE TRP 33 2.371 -3.977 5.853 270 HE3 TRP 33 3HE TRP 33 -2.000 -0.800 4.924 271 HZ2 TRP 33 2HZ TRP 33 2.448 -2.621 3.343 272 HZ3 TRP 33 3HZ TRP 33 -1.023 -0.163 2.721 273 HH2 TRP 33 HH TRP 33 1.122 -1.019 1.917 274 H PHE 34 H PHE 34 -1.728 -4.483 5.307 275 HA PHE 34 HA PHE 34 -3.468 -3.323 3.394 276 1HB PHE 34 1HB PHE 34 -1.158 -3.842 2.812 277 2HB PHE 34 2HB PHE 34 -1.274 -5.455 3.488 278 HD1 PHE 34 1HD PHE 34 -3.333 -3.594 0.981 279 HD2 PHE 34 2HD PHE 34 -0.992 -7.028 1.834 280 HE1 PHE 34 1HE PHE 34 -3.850 -4.512 -1.297 281 HE2 PHE 34 2HE PHE 34 -1.508 -7.946 -0.444 282 HZ PHE 34 HZ PHE 34 -2.931 -6.677 -1.982 283 H MET 35 H MET 35 -2.693 -6.812 3.300 284 HA MET 35 HA MET 35 -5.218 -7.686 4.100 285 1HB MET 35 1HB MET 35 -4.807 -6.960 1.218 286 2HB MET 35 2HB MET 35 -5.520 -8.540 1.473 287 1HG MET 35 1HG MET 35 -7.531 -7.580 1.904 288 2HG MET 35 2HG MET 35 -6.844 -6.721 3.268 289 1HE MET 35 1HE MET 35 -7.453 -5.517 -1.003 290 2HE MET 35 2HE MET 35 -5.704 -5.736 -0.756 291 3HE MET 35 3HE MET 35 -6.829 -7.063 -0.380 292 H GLU 36 H GLU 36 -5.531 -10.108 3.476 293 HA GLU 36 HA GLU 36 -3.215 -11.441 4.153 294 1HB GLU 36 1HB GLU 36 -5.902 -12.298 3.057 295 2HB GLU 36 2HB GLU 36 -4.630 -13.488 3.249 296 1HG GLU 36 1HG GLU 36 -4.685 -11.915 5.656 297 2HG GLU 36 2HG GLU 36 -6.343 -12.337 5.280 298 H ASN 37 H ASN 37 -1.620 -12.543 2.979 299 HA ASN 37 HA ASN 37 -1.959 -12.970 0.202 300 1HB ASN 37 1HB ASN 37 -0.013 -11.562 -0.516 301 2HB ASN 37 2HB ASN 37 -1.315 -10.579 0.123 302 1HD2 ASN 37 1HD2 ASN 37 -1.192 -10.458 2.665 303 2HD2 ASN 37 2HD2 ASN 37 0.336 -9.949 3.300 304 H ASP 38 H ASP 38 0.625 -13.494 -0.607 305 HA ASP 38 HA ASP 38 1.766 -15.039 1.583 306 1HB ASP 38 1HB ASP 38 0.452 -16.219 -0.475 307 2HB ASP 38 2HB ASP 38 2.012 -16.030 -1.250 308 H LEU 39 H LEU 39 2.454 -12.341 0.609 309 HA LEU 39 HA LEU 39 4.594 -12.499 -1.236 310 1HB LEU 39 1HB LEU 39 3.251 -10.502 -0.944 311 2HB LEU 39 2HB LEU 39 3.760 -10.360 0.727 312 HG LEU 39 HG LEU 39 6.073 -10.444 -1.015 313 1HD1 LEU 39 1HD1 LEU 39 5.287 -9.360 -2.805 314 2HD1 LEU 39 2HD1 LEU 39 3.789 -8.874 -1.975 315 3HD1 LEU 39 3HD1 LEU 39 5.276 -7.922 -1.757 316 1HD2 LEU 39 1HD2 LEU 39 6.442 -9.569 1.089 317 2HD2 LEU 39 2HD2 LEU 39 6.320 -8.098 0.095 318 3HD2 LEU 39 3HD2 LEU 39 4.935 -8.622 1.082 319 H LYS 40 H LYS 40 6.877 -12.239 -0.828 320 HA LYS 40 HA LYS 40 7.736 -12.612 1.913 321 1HB LYS 40 1HB LYS 40 7.989 -14.712 -0.222 322 2HB LYS 40 2HB LYS 40 9.252 -14.545 0.982 323 1HG LYS 40 1HG LYS 40 6.939 -14.431 2.537 324 2HG LYS 40 2HG LYS 40 6.484 -15.568 1.283 325 1HD LYS 40 1HD LYS 40 7.488 -16.856 3.067 326 2HD LYS 40 2HD LYS 40 8.634 -16.845 1.741 327 1HE LYS 40 1HE LYS 40 10.033 -15.204 2.814 328 2HE LYS 40 2HE LYS 40 8.784 -14.772 3.965 329 1HZ LYS 40 1HZ LYS 40 9.090 -16.727 5.114 330 2HZ LYS 40 2HZ LYS 40 9.821 -17.500 3.875 331 3HZ LYS 40 3HZ LYS 40 10.620 -16.337 4.697 332 H ALA 41 H ALA 41 7.803 -10.443 -0.086 333 HA ALA 41 HA ALA 41 9.226 -9.091 -1.146 334 1HB ALA 41 1HB ALA 41 11.529 -9.203 0.444 335 2HB ALA 41 2HB ALA 41 10.114 -8.156 0.702 336 3HB ALA 41 3HB ALA 41 10.220 -9.728 1.530 337 H GLU 42 H GLU 42 9.228 -10.922 -2.873 338 HA GLU 42 HA GLU 42 11.998 -11.377 -3.478 339 1HB GLU 42 1HB GLU 42 10.596 -13.443 -2.266 340 2HB GLU 42 2HB GLU 42 10.375 -13.810 -3.965 341 1HG GLU 42 1HG GLU 42 12.771 -13.856 -4.362 342 2HG GLU 42 2HG GLU 42 13.112 -13.166 -2.787 343 H THR 43 H THR 43 12.151 -10.433 -5.466 344 HA THR 43 HA THR 43 10.041 -9.824 -7.118 345 HB THR 43 HB THR 43 12.682 -9.237 -7.035 346 HG1 THR 43 1HG THR 43 11.045 -8.133 -8.294 347 1HG2 THR 43 1HG2 THR 43 13.427 -11.442 -7.961 348 2HG2 THR 43 2HG2 THR 43 12.353 -11.206 -9.361 349 3HG2 THR 43 3HG2 THR 43 13.745 -10.124 -9.115 350 H GLY 44 H GLY 44 8.930 -10.759 -8.788 351 1HA GLY 44 1HA GLY 44 8.120 -12.397 -10.097 352 2HA GLY 44 2HA GLY 44 9.711 -13.132 -10.082 353 H HIS 45 H HIS 45 7.493 -12.460 -7.298 354 HA HIS 45 HA HIS 45 7.460 -15.355 -6.839 355 1HB HIS 45 1HB HIS 45 8.768 -14.267 -5.140 356 2HB HIS 45 2HB HIS 45 7.529 -13.058 -4.871 357 HD1 HIS 45 1HD HIS 45 7.237 -16.888 -4.969 358 HD2 HIS 45 2HD HIS 45 6.505 -13.645 -2.411 359 HE1 HIS 45 1HE HIS 45 6.142 -17.859 -2.879 360 H HIS 46 H HIS 46 5.586 -15.226 -8.420 361 HA HIS 46 HA HIS 46 3.314 -13.796 -7.997 362 1HB HIS 46 1HB HIS 46 2.155 -15.695 -9.167 363 2HB HIS 46 2HB HIS 46 3.552 -15.033 -9.992 364 HD1 HIS 46 1HD HIS 46 5.421 -16.637 -10.589 365 HD2 HIS 46 2HD HIS 46 2.685 -18.273 -7.862 366 HE1 HIS 46 1HE HIS 46 6.036 -19.102 -10.350 367 H PHE 47 H PHE 47 2.176 -13.530 -6.143 368 HA PHE 47 HA PHE 47 1.725 -15.947 -4.537 369 1HB PHE 47 1HB PHE 47 1.760 -14.388 -2.592 370 2HB PHE 47 2HB PHE 47 3.238 -14.187 -3.512 371 HD1 PHE 47 1HD PHE 47 3.501 -12.203 -5.000 372 HD2 PHE 47 2HD PHE 47 0.200 -12.603 -2.363 373 HE1 PHE 47 1HE PHE 47 3.036 -9.746 -5.210 374 HE2 PHE 47 2HE PHE 47 -0.265 -10.145 -2.574 375 HZ PHE 47 HZ PHE 47 1.158 -8.746 -3.995 376 H HIS 48 H HIS 48 -0.366 -16.176 -3.543 377 HA HIS 48 HA HIS 48 -2.428 -14.959 -5.116 378 1HB HIS 48 1HB HIS 48 -2.371 -17.056 -2.947 379 2HB HIS 48 2HB HIS 48 -3.882 -16.407 -3.552 380 HD1 HIS 48 1HD HIS 48 -0.877 -18.438 -4.669 381 HD2 HIS 48 2HD HIS 48 -4.694 -17.371 -6.044 382 HE1 HIS 48 1HE HIS 48 -1.324 -19.880 -6.726 383 H LEU 49 H LEU 49 -4.301 -13.816 -4.164 384 HA LEU 49 HA LEU 49 -3.623 -12.496 -1.636 385 1HB LEU 49 1HB LEU 49 -3.000 -11.028 -3.478 386 2HB LEU 49 2HB LEU 49 -4.608 -11.165 -4.163 387 HG LEU 49 HG LEU 49 -5.295 -10.247 -1.737 388 1HD1 LEU 49 1HD1 LEU 49 -3.025 -10.170 -0.866 389 2HD1 LEU 49 2HD1 LEU 49 -2.527 -9.100 -2.198 390 3HD1 LEU 49 3HD1 LEU 49 -3.704 -8.529 -0.991 391 1HD2 LEU 49 1HD2 LEU 49 -4.380 -8.032 -3.422 392 2HD2 LEU 49 2HD2 LEU 49 -5.283 -9.280 -4.315 393 3HD2 LEU 49 3HD2 LEU 49 -6.022 -8.486 -2.904 394 H GLN 50 H GLN 50 -5.226 -12.645 -0.155 395 HA GLN 50 HA GLN 50 -7.779 -13.589 -1.163 396 1HB GLN 50 1HB GLN 50 -6.454 -13.716 1.571 397 2HB GLN 50 2HB GLN 50 -8.151 -14.095 1.352 398 1HG GLN 50 1HG GLN 50 -6.618 -15.482 -0.685 399 2HG GLN 50 2HG GLN 50 -5.890 -15.797 0.878 400 1HE2 GLN 50 1HE2 GLN 50 -8.683 -16.155 -1.143 401 2HE2 GLN 50 2HE2 GLN 50 -9.565 -17.286 -0.171 402 H SER 51 H SER 51 -8.467 -11.451 -1.916 403 HA SER 51 HA SER 51 -8.730 -9.446 0.129 404 1HB SER 51 1HB SER 51 -8.745 -7.969 -1.595 405 2HB SER 51 2HB SER 51 -8.248 -9.323 -2.589 406 HG SER 51 HG SER 51 -10.615 -9.757 -2.895 407 HA PRO 52 HA PRO 52 -12.997 -10.061 0.754 408 1HB PRO 52 1HB PRO 52 -14.089 -7.558 0.849 409 2HB PRO 52 2HB PRO 52 -13.197 -8.266 2.181 410 1HG PRO 52 1HG PRO 52 -12.336 -6.174 0.279 411 2HG PRO 52 2HG PRO 52 -11.654 -6.587 1.839 412 1HD PRO 52 1HD PRO 52 -10.588 -7.269 -0.735 413 2HD PRO 52 2HD PRO 52 -9.971 -7.779 0.824 414 H PHE 53 H PHE 53 -12.088 -8.458 -2.103 415 HA PHE 53 HA PHE 53 -14.751 -8.964 -3.207 416 1HB PHE 53 1HB PHE 53 -13.099 -6.747 -3.271 417 2HB PHE 53 2HB PHE 53 -12.519 -7.575 -4.703 418 HD1 PHE 53 1HD PHE 53 -14.430 -8.384 -6.352 419 HD2 PHE 53 2HD PHE 53 -14.866 -5.276 -3.496 420 HE1 PHE 53 1HE PHE 53 -16.339 -7.435 -7.676 421 HE2 PHE 53 2HE PHE 53 -16.775 -4.327 -4.820 422 HZ PHE 53 HZ PHE 53 -17.489 -5.417 -6.894 423 H GLY 54 H GLY 54 -13.565 -11.337 -2.839 424 1HA GLY 54 1HA GLY 54 -13.141 -13.211 -4.040 425 2HA GLY 54 2HA GLY 54 -13.113 -12.264 -5.514 426 HA PRO 55 HA PRO 55 -8.802 -13.216 -3.920 427 1HB PRO 55 1HB PRO 55 -8.280 -15.749 -4.802 428 2HB PRO 55 2HB PRO 55 -8.756 -15.387 -3.155 429 1HG PRO 55 1HG PRO 55 -10.362 -16.587 -5.327 430 2HG PRO 55 2HG PRO 55 -10.663 -16.606 -3.601 431 1HD PRO 55 1HD PRO 55 -11.977 -14.966 -5.553 432 2HD PRO 55 2HD PRO 55 -12.194 -14.905 -3.816 433 H SER 56 H SER 56 -7.066 -12.521 -5.062 434 HA SER 56 HA SER 56 -7.310 -13.001 -7.919 435 1HB SER 56 1HB SER 56 -7.390 -10.412 -6.513 436 2HB SER 56 2HB SER 56 -6.129 -10.464 -7.728 437 HG SER 56 HG SER 56 -7.866 -9.855 -8.923 438 HA PRO 57 HA PRO 57 -3.082 -13.938 -7.460 439 1HB PRO 57 1HB PRO 57 -2.238 -13.827 -10.057 440 2HB PRO 57 2HB PRO 57 -3.077 -15.208 -9.380 441 1HG PRO 57 1HG PRO 57 -4.106 -13.128 -11.211 442 2HG PRO 57 2HG PRO 57 -4.770 -14.713 -10.867 443 1HD PRO 57 1HD PRO 57 -5.725 -12.199 -9.869 444 2HD PRO 57 2HD PRO 57 -6.314 -13.791 -9.435 445 H CYS 58 H CYS 58 -0.976 -13.135 -7.221 446 HA CYS 58 HA CYS 58 -0.719 -10.384 -8.147 447 1HB CYS 58 1HB CYS 58 -0.203 -11.264 -5.287 448 2HB CYS 58 2HB CYS 58 0.217 -9.698 -5.953 449 HG CYS 58 HG CYS 58 -1.901 -9.278 -4.601 450 H GLN 59 H GLN 59 1.603 -9.724 -8.263 451 HA GLN 59 HA GLN 59 3.515 -11.812 -7.831 452 1HB GLN 59 1HB GLN 59 2.797 -12.437 -10.059 453 2HB GLN 59 2HB GLN 59 2.862 -10.778 -10.619 454 1HG GLN 59 1HG GLN 59 5.192 -10.762 -10.768 455 2HG GLN 59 2HG GLN 59 5.396 -11.927 -9.474 456 1HE2 GLN 59 1HE2 GLN 59 6.311 -13.686 -10.183 457 2HE2 GLN 59 2HE2 GLN 59 5.975 -14.530 -11.658 458 H VAL 60 H VAL 60 5.462 -10.925 -7.193 459 HA VAL 60 HA VAL 60 5.590 -8.094 -6.945 460 HB VAL 60 HB VAL 60 7.721 -10.181 -6.455 461 1HG1 VAL 60 1HG1 VAL 60 8.471 -7.800 -6.514 462 2HG1 VAL 60 2HG1 VAL 60 7.336 -7.449 -5.188 463 3HG1 VAL 60 3HG1 VAL 60 8.688 -8.578 -4.928 464 1HG2 VAL 60 1HG2 VAL 60 6.025 -10.983 -5.106 465 2HG2 VAL 60 2HG2 VAL 60 6.815 -9.826 -4.008 466 3HG2 VAL 60 3HG2 VAL 60 5.315 -9.371 -4.851 467 H THR 61 H THR 61 6.680 -6.597 -8.178 468 HA THR 61 HA THR 61 7.868 -7.646 -10.646 469 HB THR 61 HB THR 61 7.393 -5.367 -11.499 470 HG1 THR 61 1HG THR 61 7.434 -3.892 -9.847 471 1HG2 THR 61 1HG2 THR 61 4.890 -5.186 -10.918 472 2HG2 THR 61 2HG2 THR 61 5.392 -6.744 -11.616 473 3HG2 THR 61 3HG2 THR 61 5.123 -6.600 -9.863 474 H ASP 62 H ASP 62 8.554 -5.750 -7.710 475 HA ASP 62 HA ASP 62 11.328 -6.144 -8.236 476 1HB ASP 62 1HB ASP 62 10.063 -3.631 -8.890 477 2HB ASP 62 2HB ASP 62 11.078 -3.365 -7.486 478 H VAL 63 H VAL 63 12.423 -6.293 -6.219 479 HA VAL 63 HA VAL 63 11.446 -4.961 -3.904 480 HB VAL 63 HB VAL 63 9.777 -6.667 -3.928 481 1HG1 VAL 63 1HG1 VAL 63 10.343 -9.081 -3.924 482 2HG1 VAL 63 2HG1 VAL 63 10.813 -8.270 -5.437 483 3HG1 VAL 63 3HG1 VAL 63 12.048 -8.663 -4.216 484 1HG2 VAL 63 1HG2 VAL 63 11.280 -6.130 -1.790 485 2HG2 VAL 63 2HG2 VAL 63 9.972 -7.336 -1.748 486 3HG2 VAL 63 3HG2 VAL 63 11.661 -7.862 -1.939 487 H GLU 64 H GLU 64 13.377 -4.269 -3.143 488 HA GLU 64 HA GLU 64 15.329 -6.257 -2.521 489 1HB GLU 64 1HB GLU 64 15.893 -5.689 -4.885 490 2HB GLU 64 2HB GLU 64 16.037 -3.998 -4.446 491 1HG GLU 64 1HG GLU 64 18.206 -4.372 -3.907 492 2HG GLU 64 2HG GLU 64 17.665 -5.370 -2.572 493 H ARG 65 H ARG 65 15.494 -5.750 -0.367 494 HA ARG 65 HA ARG 65 15.836 -4.632 1.449 495 1HB ARG 65 1HB ARG 65 17.546 -3.271 -0.538 496 2HB ARG 65 2HB ARG 65 17.114 -2.206 0.785 497 1HG ARG 65 1HG ARG 65 18.820 -3.192 1.929 498 2HG ARG 65 2HG ARG 65 17.734 -4.552 2.138 499 1HD ARG 65 1HD ARG 65 19.259 -5.810 1.012 500 2HD ARG 65 2HD ARG 65 18.777 -4.957 -0.441 501 HE ARG 65 HE ARG 65 20.778 -3.741 -0.369 502 1HH1 ARG 65 2HH2 ARG 65 20.221 -5.236 2.768 503 2HH1 ARG 65 1HH2 ARG 65 21.774 -4.797 3.396 504 1HH2 ARG 65 2HH1 ARG 65 22.827 -3.161 0.460 505 2HH2 ARG 65 1HH1 ARG 65 23.266 -3.608 2.075 506 HA PRO 66 HA PRO 66 12.883 -1.449 1.904 507 1HB PRO 66 1HB PRO 66 13.779 0.085 3.981 508 2HB PRO 66 2HB PRO 66 12.998 -1.467 4.204 509 1HG PRO 66 1HG PRO 66 15.864 -0.782 4.443 510 2HG PRO 66 2HG PRO 66 15.015 -2.186 5.061 511 1HD PRO 66 1HD PRO 66 16.715 -2.087 2.753 512 2HD PRO 66 2HD PRO 66 15.775 -3.459 3.305 513 H ILE 67 H ILE 67 13.615 -0.788 -0.346 514 HA ILE 67 HA ILE 67 14.081 2.074 -0.137 515 HB ILE 67 HB ILE 67 15.743 1.843 -2.060 516 1HG1 ILE 67 1HG1 ILE 67 17.092 -0.413 -1.611 517 2HG1 ILE 67 2HG1 ILE 67 15.498 -1.006 -1.185 518 1HG2 ILE 67 1HG2 ILE 67 16.176 2.479 0.381 519 2HG2 ILE 67 2HG2 ILE 67 16.770 0.813 0.583 520 3HG2 ILE 67 3HG2 ILE 67 17.560 1.905 -0.580 521 1HD1 ILE 67 1HD1 ILE 67 15.157 0.524 -3.573 522 2HD1 ILE 67 2HD1 ILE 67 16.594 -0.497 -3.817 523 3HD1 ILE 67 3HD1 ILE 67 15.036 -1.243 -3.386 524 H LYS 68 H LYS 68 13.446 -0.805 -2.233 525 HA LYS 68 HA LYS 68 11.337 0.767 -3.500 526 1HB LYS 68 1HB LYS 68 13.105 1.042 -5.059 527 2HB LYS 68 2HB LYS 68 13.608 -0.631 -4.921 528 1HG LYS 68 1HG LYS 68 12.089 -1.320 -6.472 529 2HG LYS 68 2HG LYS 68 10.782 -0.453 -5.690 530 1HD LYS 68 1HD LYS 68 12.030 1.686 -6.737 531 2HD LYS 68 2HD LYS 68 12.663 0.492 -7.853 532 1HE LYS 68 1HE LYS 68 10.212 -0.284 -8.190 533 2HE LYS 68 2HE LYS 68 9.736 1.166 -7.329 534 1HZ LYS 68 1HZ LYS 68 9.831 2.037 -9.363 535 2HZ LYS 68 2HZ LYS 68 11.438 2.154 -9.097 536 3HZ LYS 68 3HZ LYS 68 10.842 0.902 -9.960 537 H LEU 69 H LEU 69 9.453 -0.369 -3.759 538 HA LEU 69 HA LEU 69 9.539 -3.245 -3.818 539 1HB LEU 69 1HB LEU 69 9.679 -2.672 -1.402 540 2HB LEU 69 2HB LEU 69 8.144 -1.838 -1.538 541 HG LEU 69 HG LEU 69 7.227 -4.111 -2.401 542 1HD1 LEU 69 1HD1 LEU 69 8.364 -6.085 -1.826 543 2HD1 LEU 69 2HD1 LEU 69 9.589 -5.054 -2.603 544 3HD1 LEU 69 3HD1 LEU 69 9.556 -5.215 -0.831 545 1HD2 LEU 69 1HD2 LEU 69 7.979 -4.194 0.501 546 2HD2 LEU 69 2HD2 LEU 69 6.938 -2.886 -0.110 547 3HD2 LEU 69 3HD2 LEU 69 6.433 -4.583 -0.290 548 H SER 70 H SER 70 8.033 -3.912 -5.257 549 HA SER 70 HA SER 70 5.638 -2.302 -5.487 550 1HB SER 70 1HB SER 70 7.402 -1.620 -7.241 551 2HB SER 70 2HB SER 70 7.182 -3.208 -7.950 552 HG SER 70 HG SER 70 5.436 -2.470 -8.927 553 H PHE 71 H PHE 71 3.796 -3.514 -6.326 554 HA PHE 71 HA PHE 71 4.219 -6.279 -7.008 555 1HB PHE 71 1HB PHE 71 3.010 -7.137 -5.090 556 2HB PHE 71 2HB PHE 71 4.122 -5.967 -4.409 557 HD1 PHE 71 1HD PHE 71 0.693 -6.908 -4.781 558 HD2 PHE 71 2HD PHE 71 3.240 -3.629 -3.905 559 HE1 PHE 71 1HE PHE 71 -1.232 -5.695 -3.722 560 HE2 PHE 71 2HE PHE 71 1.315 -2.416 -2.846 561 HZ PHE 71 HZ PHE 71 -0.898 -3.463 -2.768 562 H THR 72 H THR 72 2.518 -7.115 -8.247 563 HA THR 72 HA THR 72 0.529 -5.138 -9.034 564 HB THR 72 HB THR 72 0.185 -6.769 -10.912 565 HG1 THR 72 1HG THR 72 1.007 -8.806 -10.564 566 1HG2 THR 72 1HG2 THR 72 2.878 -7.018 -11.397 567 2HG2 THR 72 2HG2 THR 72 1.969 -5.519 -11.709 568 3HG2 THR 72 3HG2 THR 72 2.893 -5.702 -10.198 569 H TRP 73 H TRP 73 -1.733 -5.541 -9.083 570 HA TRP 73 HA TRP 73 -2.631 -7.846 -7.546 571 1HB TRP 73 1HB TRP 73 -2.348 -6.248 -5.808 572 2HB TRP 73 2HB TRP 73 -3.098 -4.975 -6.749 573 HD1 TRP 73 HD TRP 73 -4.766 -8.451 -6.493 574 HE1 TRP 73 1HE TRP 73 -7.065 -8.310 -5.206 575 HE3 TRP 73 3HE TRP 73 -4.274 -3.593 -5.075 576 HZ2 TRP 73 2HZ TRP 73 -8.390 -6.230 -3.771 577 HZ3 TRP 73 3HZ TRP 73 -6.116 -2.583 -3.733 578 HH2 TRP 73 HH TRP 73 -8.122 -3.819 -3.081 579 H ASP 74 H ASP 74 -4.492 -8.675 -8.460 580 HA ASP 74 HA ASP 74 -6.225 -8.881 -9.749 581 1HB ASP 74 1HB ASP 74 -6.534 -6.309 -8.744 582 2HB ASP 74 2HB ASP 74 -6.598 -6.019 -10.471 583 H THR 75 H THR 75 -7.003 -8.422 -12.146 584 HA THR 75 HA THR 75 -4.677 -7.630 -13.775 585 HB THR 75 HB THR 75 -5.175 -9.501 -15.238 586 HG1 THR 75 1HG THR 75 -7.465 -9.861 -13.438 587 1HG2 THR 75 1HG2 THR 75 -4.321 -10.023 -12.719 588 2HG2 THR 75 2HG2 THR 75 -5.904 -10.832 -12.632 589 3HG2 THR 75 3HG2 THR 75 -4.714 -11.332 -13.858 590 H ASP 76 H ASP 76 -6.170 -5.557 -13.153 591 HA ASP 76 HA ASP 76 -7.984 -5.330 -15.426 592 1HB ASP 76 1HB ASP 76 -8.462 -4.873 -12.657 593 2HB ASP 76 2HB ASP 76 -8.350 -3.277 -13.372 594 H GLY 77 H GLY 77 -5.665 -3.666 -13.185 595 1HA GLY 77 1HA GLY 77 -3.904 -2.509 -14.684 596 2HA GLY 77 2HA GLY 77 -5.273 -1.525 -15.162 597 H TRP 78 H TRP 78 -4.360 -2.939 -11.943 598 HA TRP 78 HA TRP 78 -4.119 -0.191 -10.941 599 1HB TRP 78 1HB TRP 78 -5.866 -2.402 -9.933 600 2HB TRP 78 2HB TRP 78 -5.155 -1.283 -8.786 601 HD1 TRP 78 HD TRP 78 -5.590 1.075 -11.362 602 HE1 TRP 78 1HE TRP 78 -7.914 2.325 -11.434 603 HE3 TRP 78 3HE TRP 78 -8.075 -2.272 -8.451 604 HZ2 TRP 78 2HZ TRP 78 -10.472 1.785 -10.291 605 HZ3 TRP 78 3HZ TRP 78 -10.483 -1.837 -7.977 606 HH2 TRP 78 HH TRP 78 -11.681 0.109 -8.845 607 H SER 79 H SER 79 -1.996 0.000 -10.360 608 HA SER 79 HA SER 79 -0.862 -2.273 -8.937 609 1HB SER 79 1HB SER 79 1.278 -0.938 -10.254 610 2HB SER 79 2HB SER 79 0.686 -2.560 -10.552 611 HG SER 79 HG SER 79 -0.635 -1.828 -12.206 612 H VAL 80 H VAL 80 0.356 -1.720 -7.093 613 HA VAL 80 HA VAL 80 0.607 1.168 -6.600 614 HB VAL 80 HB VAL 80 -1.019 0.565 -5.109 615 1HG1 VAL 80 1HG1 VAL 80 -0.742 -1.695 -3.767 616 2HG1 VAL 80 2HG1 VAL 80 -1.443 -1.681 -5.403 617 3HG1 VAL 80 3HG1 VAL 80 0.258 -2.149 -5.168 618 1HG2 VAL 80 1HG2 VAL 80 1.411 1.158 -4.050 619 2HG2 VAL 80 2HG2 VAL 80 -0.080 0.986 -3.093 620 3HG2 VAL 80 3HG2 VAL 80 1.060 -0.376 -3.218 621 H THR 81 H THR 81 2.579 1.915 -5.810 622 HA THR 81 HA THR 81 4.653 -0.151 -5.472 623 HB THR 81 HB THR 81 4.926 2.598 -6.796 624 HG1 THR 81 1HG THR 81 3.724 1.175 -8.153 625 1HG2 THR 81 1HG2 THR 81 6.906 0.881 -5.755 626 2HG2 THR 81 2HG2 THR 81 6.821 0.443 -7.478 627 3HG2 THR 81 3HG2 THR 81 7.159 2.124 -7.003 628 H PHE 82 H PHE 82 6.030 0.034 -3.753 629 HA PHE 82 HA PHE 82 5.374 2.235 -1.932 630 1HB PHE 82 1HB PHE 82 6.598 -0.565 -1.557 631 2HB PHE 82 2HB PHE 82 6.359 0.567 -0.240 632 HD1 PHE 82 1HD PHE 82 5.119 -2.316 -1.345 633 HD2 PHE 82 2HD PHE 82 3.719 1.621 -0.600 634 HE1 PHE 82 1HE PHE 82 2.797 -3.206 -1.000 635 HE2 PHE 82 2HE PHE 82 1.398 0.730 -0.255 636 HZ PHE 82 HZ PHE 82 0.965 -1.673 -0.459 637 H HIS 83 H HIS 83 7.130 3.225 -0.698 638 HA HIS 83 HA HIS 83 9.800 2.661 -1.655 639 1HB HIS 83 1HB HIS 83 8.431 5.334 -2.027 640 2HB HIS 83 2HB HIS 83 10.173 5.141 -2.053 641 HD1 HIS 83 1HD HIS 83 11.192 3.697 -4.056 642 HD2 HIS 83 2HD HIS 83 7.102 4.579 -4.361 643 HE1 HIS 83 1HE HIS 83 10.537 3.224 -6.477 644 H LEU 84 H LEU 84 10.998 2.419 0.158 645 HA LEU 84 HA LEU 84 10.162 3.967 2.506 646 1HB LEU 84 1HB LEU 84 11.324 1.243 2.127 647 2HB LEU 84 2HB LEU 84 11.707 2.122 3.594 648 HG LEU 84 HG LEU 84 8.982 2.415 3.492 649 1HD1 LEU 84 1HD1 LEU 84 7.997 0.252 2.968 650 2HD1 LEU 84 2HD1 LEU 84 8.808 0.936 1.539 651 3HD1 LEU 84 3HD1 LEU 84 9.586 -0.372 2.464 652 1HD2 LEU 84 1HD2 LEU 84 10.860 0.589 4.919 653 2HD2 LEU 84 2HD2 LEU 84 9.792 1.866 5.550 654 3HD2 LEU 84 3HD2 LEU 84 9.113 0.289 5.080 655 H LYS 85 H LYS 85 12.001 4.651 3.977 656 HA LYS 85 HA LYS 85 14.623 4.760 3.079 657 1HB LYS 85 1HB LYS 85 14.710 7.204 2.432 658 2HB LYS 85 2HB LYS 85 14.020 6.116 1.245 659 1HG LYS 85 1HG LYS 85 11.762 6.796 2.672 660 2HG LYS 85 2HG LYS 85 12.701 8.267 2.840 661 1HD LYS 85 1HD LYS 85 12.549 7.039 0.095 662 2HD LYS 85 2HD LYS 85 11.100 7.810 0.708 663 1HE LYS 85 1HE LYS 85 12.221 9.935 0.982 664 2HE LYS 85 2HE LYS 85 13.804 9.212 0.776 665 1HZ LYS 85 1HZ LYS 85 12.652 10.377 -1.185 666 2HZ LYS 85 2HZ LYS 85 13.489 9.001 -1.456 667 3HZ LYS 85 3HZ LYS 85 11.859 8.962 -1.372 668 H GLU 86 H GLU 86 15.554 4.729 5.048 669 HA GLU 86 HA GLU 86 14.223 5.644 7.309 670 1HB GLU 86 1HB GLU 86 16.294 3.965 6.900 671 2HB GLU 86 2HB GLU 86 17.219 5.392 7.323 672 1HG GLU 86 1HG GLU 86 14.920 4.966 9.130 673 2HG GLU 86 2HG GLU 86 16.026 3.607 9.127 674 H GLU 87 H GLU 87 14.437 7.538 8.571 675 HA GLU 87 HA GLU 87 15.870 9.669 7.191 676 1HB GLU 87 1HB GLU 87 13.183 9.536 7.944 677 2HB GLU 87 2HB GLU 87 13.896 10.499 9.222 678 1HG GLU 87 1HG GLU 87 14.975 11.355 6.657 679 2HG GLU 87 2HG GLU 87 13.224 11.338 6.573 680 H GLU 88 H GLU 88 15.895 11.588 9.274 681 HA GLU 88 HA GLU 88 18.170 11.027 10.567 682 1HB GLU 88 1HB GLU 88 15.870 12.877 11.114 683 2HB GLU 88 2HB GLU 88 17.058 12.691 12.389 684 1HG GLU 88 1HG GLU 88 18.629 12.967 10.074 685 2HG GLU 88 2HG GLU 88 17.299 14.073 9.793 686 H ASN 89 H ASN 89 14.972 11.015 12.309 687 HA ASN 89 HA ASN 89 15.971 8.694 13.756 688 1HB ASN 89 1HB ASN 89 15.842 11.128 14.952 689 2HB ASN 89 2HB ASN 89 14.164 10.668 15.159 690 1HD2 ASN 89 1HD2 ASN 89 17.500 9.808 15.813 691 2HD2 ASN 89 2HD2 ASN 89 17.221 8.759 17.163 692 H GLY 90 H GLY 90 14.392 8.316 11.541 693 1HA GLY 90 1HA GLY 90 12.066 7.080 12.538 694 2HA GLY 90 2HA GLY 90 11.627 8.616 11.817 695 H THR 91 H THR 91 10.548 6.501 10.564 696 HA THR 91 HA THR 91 12.295 6.058 8.232 697 HB THR 91 HB THR 91 10.152 4.294 9.527 698 HG1 THR 91 1HG THR 91 12.193 4.124 10.556 699 1HG2 THR 91 1HG2 THR 91 11.908 3.079 7.503 700 2HG2 THR 91 2HG2 THR 91 10.136 2.984 7.648 701 3HG2 THR 91 3HG2 THR 91 10.887 4.353 6.793 702 H ILE 92 H ILE 92 11.604 6.674 6.251 703 HA ILE 92 HA ILE 92 9.015 8.024 6.215 704 HB ILE 92 HB ILE 92 11.417 8.171 4.392 705 1HG1 ILE 92 1HG1 ILE 92 11.958 9.327 6.355 706 2HG1 ILE 92 2HG1 ILE 92 11.402 10.571 5.253 707 1HG2 ILE 92 1HG2 ILE 92 8.684 9.433 4.172 708 2HG2 ILE 92 2HG2 ILE 92 10.126 10.137 3.402 709 3HG2 ILE 92 3HG2 ILE 92 9.587 8.500 2.955 710 1HD1 ILE 92 1HD1 ILE 92 10.309 11.044 7.324 711 2HD1 ILE 92 2HD1 ILE 92 9.062 10.267 6.319 712 3HD1 ILE 92 3HD1 ILE 92 9.894 9.333 7.585 713 H PHE 93 H PHE 93 7.299 7.280 5.040 714 HA PHE 93 HA PHE 93 7.849 4.982 3.297 715 1HB PHE 93 1HB PHE 93 6.721 4.475 5.541 716 2HB PHE 93 2HB PHE 93 5.439 5.591 5.115 717 HD1 PHE 93 1HD PHE 93 6.415 2.228 5.103 718 HD2 PHE 93 2HD PHE 93 4.242 5.064 2.812 719 HE1 PHE 93 1HE PHE 93 5.165 0.364 3.980 720 HE2 PHE 93 2HE PHE 93 2.992 3.199 1.689 721 HZ PHE 93 HZ PHE 93 3.468 0.871 2.287 722 H THR 94 H THR 94 7.356 5.420 1.206 723 HA THR 94 HA THR 94 5.210 7.383 0.727 724 HB THR 94 HB THR 94 7.833 6.816 -0.743 725 HG1 THR 94 1HG THR 94 8.081 8.322 0.947 726 1HG2 THR 94 1HG2 THR 94 7.150 8.671 -2.260 727 2HG2 THR 94 2HG2 THR 94 6.013 7.309 -2.404 728 3HG2 THR 94 3HG2 THR 94 5.562 8.747 -1.458 729 H ILE 95 H ILE 95 3.535 6.847 -0.588 730 HA ILE 95 HA ILE 95 3.691 4.152 -1.749 731 HB ILE 95 HB ILE 95 2.161 4.042 0.015 732 1HG1 ILE 95 1HG1 ILE 95 1.427 3.220 -2.312 733 2HG1 ILE 95 2HG1 ILE 95 0.222 3.325 -1.045 734 1HG2 ILE 95 1HG2 ILE 95 1.756 6.205 0.732 735 2HG2 ILE 95 2HG2 ILE 95 1.277 6.769 -0.887 736 3HG2 ILE 95 3HG2 ILE 95 0.181 5.728 0.053 737 1HD1 ILE 95 1HD1 ILE 95 0.077 4.526 -3.581 738 2HD1 ILE 95 2HD1 ILE 95 -0.981 4.870 -2.192 739 3HD1 ILE 95 3HD1 ILE 95 0.462 5.872 -2.482 740 H VAL 96 H VAL 96 2.733 3.836 -3.839 741 HA VAL 96 HA VAL 96 1.926 6.264 -5.229 742 HB VAL 96 HB VAL 96 4.201 4.459 -6.069 743 1HG1 VAL 96 1HG1 VAL 96 3.108 4.875 -8.091 744 2HG1 VAL 96 2HG1 VAL 96 2.609 6.512 -7.601 745 3HG1 VAL 96 3HG1 VAL 96 4.311 6.185 -8.006 746 1HG2 VAL 96 1HG2 VAL 96 5.498 6.591 -6.062 747 2HG2 VAL 96 2HG2 VAL 96 4.084 7.407 -5.354 748 3HG2 VAL 96 3HG2 VAL 96 4.908 6.112 -4.453 749 H HIS 97 H HIS 97 -0.041 5.791 -6.050 750 HA HIS 97 HA HIS 97 -0.414 3.050 -7.020 751 1HB HIS 97 1HB HIS 97 -1.684 3.673 -4.928 752 2HB HIS 97 2HB HIS 97 -2.557 4.859 -5.878 753 HD1 HIS 97 1HD HIS 97 -4.858 3.882 -6.099 754 HD2 HIS 97 2HD HIS 97 -1.850 1.073 -6.912 755 HE1 HIS 97 1HE HIS 97 -6.048 1.772 -6.902 756 H SER 98 H SER 98 -0.601 2.939 -9.196 757 HA SER 98 HA SER 98 -1.780 5.268 -10.496 758 1HB SER 98 1HB SER 98 0.367 3.526 -11.763 759 2HB SER 98 2HB SER 98 -0.220 5.080 -12.323 760 HG SER 98 HG SER 98 1.922 4.887 -11.020 761 H GLY 99 H GLY 99 -2.915 4.755 -12.571 762 1HA GLY 99 1HA GLY 99 -3.542 2.889 -14.065 763 2HA GLY 99 2HA GLY 99 -3.844 1.944 -12.620 764 H TRP 100 H TRP 100 -4.653 5.340 -13.662 765 HA TRP 100 HA TRP 100 -7.463 4.680 -13.107 766 1HB TRP 100 1HB TRP 100 -6.086 7.293 -12.466 767 2HB TRP 100 2HB TRP 100 -7.780 6.917 -12.216 768 HD1 TRP 100 HD TRP 100 -4.306 6.067 -10.750 769 HE1 TRP 100 1HE TRP 100 -4.520 5.069 -8.317 770 HE3 TRP 100 3HE TRP 100 -9.378 5.710 -10.774 771 HZ2 TRP 100 2HZ TRP 100 -6.736 4.261 -6.711 772 HZ3 TRP 100 3HZ TRP 100 -10.489 4.806 -8.734 773 HH2 TRP 100 HH TRP 100 -9.252 4.095 -6.749 774 H LYS 101 H LYS 101 -8.850 6.610 -14.196 775 HA LYS 101 HA LYS 101 -7.734 6.908 -16.895 776 1HB LYS 101 1HB LYS 101 -10.653 6.859 -16.081 777 2HB LYS 101 2HB LYS 101 -10.013 6.888 -17.711 778 1HG LYS 101 1HG LYS 101 -8.911 4.681 -17.331 779 2HG LYS 101 2HG LYS 101 -9.517 4.654 -15.686 780 1HD LYS 101 1HD LYS 101 -11.722 4.245 -16.346 781 2HD LYS 101 2HD LYS 101 -11.534 5.066 -17.882 782 1HE LYS 101 1HE LYS 101 -9.894 2.579 -17.459 783 2HE LYS 101 2HE LYS 101 -11.619 2.364 -17.678 784 1HZ LYS 101 1HZ LYS 101 -11.505 3.083 -19.787 785 2HZ LYS 101 2HZ LYS 101 -10.306 4.159 -19.516 786 3HZ LYS 101 3HZ LYS 101 -9.958 2.571 -19.681 787 H GLN 102 H GLN 102 -9.711 8.841 -17.744 788 HA GLN 102 HA GLN 102 -8.389 11.141 -17.049 789 1HB GLN 102 1HB GLN 102 -10.626 10.372 -18.703 790 2HB GLN 102 2HB GLN 102 -11.074 11.816 -17.818 791 1HG GLN 102 1HG GLN 102 -8.344 11.703 -19.113 792 2HG GLN 102 2HG GLN 102 -9.744 11.980 -20.131 793 1HE2 GLN 102 1HE2 GLN 102 -11.385 13.563 -18.977 794 2HE2 GLN 102 2HE2 GLN 102 -10.700 15.064 -18.450 795 H GLY 103 H GLY 103 -9.111 13.045 -15.800 796 1HA GLY 103 1HA GLY 103 -10.286 12.241 -13.279 797 2HA GLY 103 2HA GLY 103 -9.567 13.787 -13.687 798 H ASP 104 H ASP 104 -12.196 11.969 -15.395 799 HA ASP 104 HA ASP 104 -14.265 13.461 -14.323 800 1HB ASP 104 1HB ASP 104 -12.963 15.191 -15.815 801 2HB ASP 104 2HB ASP 104 -13.633 14.308 -17.173 802 H THR 105 H THR 105 -13.554 10.721 -15.048 803 HA THR 105 HA THR 105 -15.615 10.198 -17.084 804 HB THR 105 HB THR 105 -13.356 9.861 -18.057 805 HG1 THR 105 1HG THR 105 -13.802 7.591 -18.545 806 1HG2 THR 105 1HG2 THR 105 -12.632 7.489 -16.530 807 2HG2 THR 105 2HG2 THR 105 -11.643 8.929 -16.869 808 3HG2 THR 105 3HG2 THR 105 -12.703 8.895 -15.440 809 H LYS 106 H LYS 106 -16.025 7.589 -16.933 810 HA LYS 106 HA LYS 106 -16.392 7.033 -14.077 811 1HB LYS 106 1HB LYS 106 -18.506 7.873 -14.876 812 2HB LYS 106 2HB LYS 106 -18.463 6.822 -16.277 813 1HG LYS 106 1HG LYS 106 -18.506 4.819 -14.761 814 2HG LYS 106 2HG LYS 106 -18.585 5.883 -13.372 815 1HD LYS 106 1HD LYS 106 -20.855 5.498 -13.662 816 2HD LYS 106 2HD LYS 106 -20.683 6.912 -14.684 817 1HE LYS 106 1HE LYS 106 -21.461 5.687 -16.428 818 2HE LYS 106 2HE LYS 106 -19.998 4.725 -16.358 819 1HZ LYS 106 1HZ LYS 106 -21.592 3.808 -14.335 820 2HZ LYS 106 2HZ LYS 106 -22.601 4.009 -15.602 821 3HZ LYS 106 3HZ LYS 106 -21.282 3.060 -15.753 822 H VAL 107 H VAL 107 -16.552 4.723 -13.562 823 HA VAL 107 HA VAL 107 -15.035 3.166 -15.521 824 HB VAL 107 HB VAL 107 -15.503 2.636 -12.583 825 1HG1 VAL 107 1HG1 VAL 107 -13.078 1.581 -13.854 826 2HG1 VAL 107 2HG1 VAL 107 -14.275 0.771 -12.815 827 3HG1 VAL 107 3HG1 VAL 107 -14.580 0.938 -14.560 828 1HG2 VAL 107 1HG2 VAL 107 -13.917 4.107 -12.028 829 2HG2 VAL 107 2HG2 VAL 107 -12.807 3.468 -13.265 830 3HG2 VAL 107 3HG2 VAL 107 -13.993 4.723 -13.696 831 H GLU 108 H GLU 108 -16.419 2.138 -16.900 832 HA GLU 108 HA GLU 108 -19.012 1.544 -16.402 833 1HB GLU 108 1HB GLU 108 -17.296 1.229 -18.519 834 2HB GLU 108 2HB GLU 108 -17.542 -0.447 -18.070 835 1HG GLU 108 1HG GLU 108 -19.563 -0.423 -19.092 836 2HG GLU 108 2HG GLU 108 -20.119 0.798 -17.966 837 H LYS 109 H LYS 109 -16.114 -0.082 -15.239 838 HA LYS 109 HA LYS 109 -17.649 -2.419 -14.433 839 1HB LYS 109 1HB LYS 109 -15.325 -2.504 -15.516 840 2HB LYS 109 2HB LYS 109 -14.702 -1.920 -13.987 841 1HG LYS 109 1HG LYS 109 -16.002 -3.871 -12.879 842 2HG LYS 109 2HG LYS 109 -16.233 -4.504 -14.496 843 1HD LYS 109 1HD LYS 109 -13.964 -5.001 -14.787 844 2HD LYS 109 2HD LYS 109 -13.432 -3.729 -13.706 845 1HE LYS 109 1HE LYS 109 -13.288 -5.217 -12.002 846 2HE LYS 109 2HE LYS 109 -15.002 -5.557 -12.137 847 1HZ LYS 109 1HZ LYS 109 -12.901 -6.839 -13.745 848 2HZ LYS 109 2HZ LYS 109 -13.668 -7.519 -12.474 849 3HZ LYS 109 3HZ LYS 109 -14.498 -7.169 -13.836 850 H ALA 110 H ALA 110 -18.281 0.247 -13.334 851 HA ALA 110 HA ALA 110 -18.495 -0.469 -10.649 852 1HB ALA 110 1HB ALA 110 -16.870 0.842 -9.552 853 2HB ALA 110 2HB ALA 110 -15.967 0.079 -10.883 854 3HB ALA 110 3HB ALA 110 -16.494 1.773 -11.022 855 H GLY 111 H GLY 111 -20.491 0.372 -10.330 856 1HA GLY 111 1HA GLY 111 -21.774 2.240 -11.831 857 2HA GLY 111 2HA GLY 111 -22.118 1.922 -10.143 858 H ALA 112 H ALA 112 -19.253 2.770 -9.390 859 HA ALA 112 HA ALA 112 -19.896 5.576 -9.144 860 1HB ALA 112 1HB ALA 112 -17.325 4.469 -8.121 861 2HB ALA 112 2HB ALA 112 -18.522 5.513 -7.318 862 3HB ALA 112 3HB ALA 112 -18.811 3.761 -7.443 863 H GLU 113 H GLU 113 -17.878 7.127 -9.388 864 HA GLU 113 HA GLU 113 -16.907 6.618 -12.070 865 1HB GLU 113 1HB GLU 113 -16.892 9.190 -10.428 866 2HB GLU 113 2HB GLU 113 -16.403 9.054 -12.105 867 1HG GLU 113 1HG GLU 113 -18.599 8.709 -12.871 868 2HG GLU 113 2HG GLU 113 -19.144 8.044 -11.344 869 H SER 114 H SER 114 -14.589 7.590 -12.506 870 HA SER 114 HA SER 114 -12.845 6.141 -10.869 871 1HB SER 114 1HB SER 114 -12.083 8.322 -12.853 872 2HB SER 114 2HB SER 114 -11.093 6.972 -12.335 873 HG SER 114 HG SER 114 -12.905 7.079 -14.379 874 H ALA 115 H ALA 115 -13.530 9.672 -11.306 875 HA ALA 115 HA ALA 115 -11.574 10.595 -9.545 876 1HB ALA 115 1HB ALA 115 -13.860 12.315 -9.497 877 2HB ALA 115 2HB ALA 115 -12.359 12.500 -10.435 878 3HB ALA 115 3HB ALA 115 -13.740 11.620 -11.131 879 H VAL 116 H VAL 116 -14.907 9.368 -9.058 880 HA VAL 116 HA VAL 116 -15.057 10.182 -6.349 881 HB VAL 116 HB VAL 116 -16.573 8.239 -8.083 882 1HG1 VAL 116 1HG1 VAL 116 -18.066 8.815 -5.733 883 2HG1 VAL 116 2HG1 VAL 116 -17.454 7.241 -6.296 884 3HG1 VAL 116 3HG1 VAL 116 -16.461 8.249 -5.215 885 1HG2 VAL 116 1HG2 VAL 116 -16.827 11.079 -7.307 886 2HG2 VAL 116 2HG2 VAL 116 -17.425 10.220 -8.748 887 3HG2 VAL 116 3HG2 VAL 116 -18.337 10.139 -7.221 888 H VAL 117 H VAL 117 -14.414 6.995 -7.973 889 HA VAL 117 HA VAL 117 -13.914 5.618 -5.597 890 HB VAL 117 HB VAL 117 -12.967 5.153 -8.431 891 1HG1 VAL 117 1HG1 VAL 117 -13.186 3.016 -6.314 892 2HG1 VAL 117 2HG1 VAL 117 -12.295 2.990 -7.855 893 3HG1 VAL 117 3HG1 VAL 117 -11.698 3.975 -6.498 894 1HG2 VAL 117 1HG2 VAL 117 -15.546 5.105 -7.398 895 2HG2 VAL 117 2HG2 VAL 117 -14.992 4.314 -8.893 896 3HG2 VAL 117 3HG2 VAL 117 -15.048 3.396 -7.370 897 H HIS 118 H HIS 118 -11.902 7.717 -7.663 898 HA HIS 118 HA HIS 118 -9.436 6.932 -6.610 899 1HB HIS 118 1HB HIS 118 -9.508 8.105 -8.676 900 2HB HIS 118 2HB HIS 118 -10.410 9.439 -7.985 901 HD1 HIS 118 1HD HIS 118 -7.141 8.732 -9.110 902 HD2 HIS 118 2HD HIS 118 -8.659 10.635 -5.694 903 HE1 HIS 118 1HE HIS 118 -5.246 10.175 -8.194 904 H GLU 119 H GLU 119 -11.659 9.676 -5.768 905 HA GLU 119 HA GLU 119 -10.074 10.643 -3.723 906 1HB GLU 119 1HB GLU 119 -13.046 10.828 -4.316 907 2HB GLU 119 2HB GLU 119 -12.359 11.605 -2.904 908 1HG GLU 119 1HG GLU 119 -10.630 12.662 -4.555 909 2HG GLU 119 2HG GLU 119 -11.716 12.143 -5.829 910 H ARG 120 H ARG 120 -12.639 8.123 -3.791 911 HA ARG 120 HA ARG 120 -12.842 7.857 -1.042 912 1HB ARG 120 1HB ARG 120 -13.743 6.424 -3.453 913 2HB ARG 120 2HB ARG 120 -13.373 5.307 -2.155 914 1HG ARG 120 1HG ARG 120 -14.770 7.344 -0.836 915 2HG ARG 120 2HG ARG 120 -15.589 7.254 -2.383 916 1HD ARG 120 1HD ARG 120 -16.746 5.653 -1.072 917 2HD ARG 120 2HD ARG 120 -15.636 4.668 -2.004 918 HE ARG 120 HE ARG 120 -14.582 5.574 0.595 919 1HH1 ARG 120 2HH2 ARG 120 -16.273 3.031 -1.153 920 2HH1 ARG 120 1HH2 ARG 120 -15.907 1.808 0.017 921 1HH2 ARG 120 2HH1 ARG 120 -14.098 3.960 2.138 922 2HH2 ARG 120 1HH1 ARG 120 -14.661 2.339 1.901 923 H MET 121 H MET 121 -11.066 5.832 -3.500 924 HA MET 121 HA MET 121 -9.835 4.223 -1.604 925 1HB MET 121 1HB MET 121 -9.264 4.975 -4.505 926 2HB MET 121 2HB MET 121 -8.170 3.905 -3.651 927 1HG MET 121 1HG MET 121 -11.078 3.221 -3.423 928 2HG MET 121 2HG MET 121 -10.384 3.038 -5.021 929 1HE MET 121 1HE MET 121 -7.828 0.345 -4.807 930 2HE MET 121 2HE MET 121 -9.403 0.551 -5.611 931 3HE MET 121 3HE MET 121 -8.260 1.913 -5.528 932 H ASP 122 H ASP 122 -8.729 7.213 -3.316 933 HA ASP 122 HA ASP 122 -6.158 7.251 -2.486 934 1HB ASP 122 1HB ASP 122 -6.914 8.931 -4.016 935 2HB ASP 122 2HB ASP 122 -8.195 9.456 -2.941 936 H ARG 123 H ARG 123 -9.104 8.630 -0.849 937 HA ARG 123 HA ARG 123 -7.846 9.709 1.309 938 1HB ARG 123 1HB ARG 123 -10.611 8.645 0.760 939 2HB ARG 123 2HB ARG 123 -10.212 8.973 2.434 940 1HG ARG 123 1HG ARG 123 -9.251 11.203 0.902 941 2HG ARG 123 2HG ARG 123 -10.870 10.856 0.328 942 1HD ARG 123 1HD ARG 123 -11.108 10.627 3.124 943 2HD ARG 123 2HD ARG 123 -10.006 11.974 2.919 944 HE ARG 123 HE ARG 123 -12.826 11.993 2.344 945 1HH1 ARG 123 2HH2 ARG 123 -9.772 13.230 1.108 946 2HH1 ARG 123 1HH2 ARG 123 -10.492 14.610 0.348 947 1HH2 ARG 123 2HH1 ARG 123 -13.776 13.814 1.342 948 2HH2 ARG 123 1HH1 ARG 123 -12.784 14.945 0.483 949 H GLY 124 H GLY 124 -9.464 6.449 1.070 950 1HA GLY 124 1HA GLY 124 -8.735 5.511 3.591 951 2HA GLY 124 2HA GLY 124 -9.136 4.532 2.194 952 H TRP 125 H TRP 125 -6.949 5.631 0.481 953 HA TRP 125 HA TRP 125 -4.980 3.769 1.070 954 1HB TRP 125 1HB TRP 125 -5.414 5.929 -0.851 955 2HB TRP 125 2HB TRP 125 -3.723 5.708 -0.448 956 HD1 TRP 125 HD TRP 125 -5.884 4.603 -3.045 957 HE1 TRP 125 1HE TRP 125 -5.298 2.263 -4.115 958 HE3 TRP 125 3HE TRP 125 -2.873 3.037 0.741 959 HZ2 TRP 125 2HZ TRP 125 -3.678 0.069 -3.276 960 HZ3 TRP 125 3HZ TRP 125 -1.828 0.783 0.537 961 HH2 TRP 125 HH TRP 125 -2.189 -0.683 -1.385 962 H HIS 126 H HIS 126 -5.066 7.371 1.577 963 HA HIS 126 HA HIS 126 -2.600 7.465 2.882 964 1HB HIS 126 1HB HIS 126 -4.222 9.307 1.840 965 2HB HIS 126 2HB HIS 126 -4.746 9.452 3.506 966 HD1 HIS 126 1HD HIS 126 -1.134 8.722 2.603 967 HD2 HIS 126 2HD HIS 126 -3.501 11.918 3.938 968 HE1 HIS 126 1HE HIS 126 0.483 10.580 3.268 969 H ASP 127 H ASP 127 -5.999 7.364 4.150 970 HA ASP 127 HA ASP 127 -5.410 7.498 6.788 971 1HB ASP 127 1HB ASP 127 -7.679 7.151 5.342 972 2HB ASP 127 2HB ASP 127 -7.490 5.505 5.912 973 H LEU 128 H LEU 128 -5.492 4.643 4.558 974 HA LEU 128 HA LEU 128 -5.056 2.683 6.495 975 1HB LEU 128 1HB LEU 128 -5.903 2.112 4.352 976 2HB LEU 128 2HB LEU 128 -4.523 2.816 3.532 977 HG LEU 128 HG LEU 128 -3.104 1.033 4.711 978 1HD1 LEU 128 1HD1 LEU 128 -5.793 -0.313 5.070 979 2HD1 LEU 128 2HD1 LEU 128 -4.189 -0.959 5.493 980 3HD1 LEU 128 3HD1 LEU 128 -4.851 0.432 6.384 981 1HD2 LEU 128 1HD2 LEU 128 -4.329 -0.755 3.037 982 2HD2 LEU 128 2HD2 LEU 128 -4.885 0.805 2.385 983 3HD2 LEU 128 3HD2 LEU 128 -3.142 0.477 2.543 984 H VAL 129 H VAL 129 -2.747 4.500 4.370 985 HA VAL 129 HA VAL 129 -0.547 3.370 5.897 986 HB VAL 129 HB VAL 129 -0.426 3.390 3.469 987 1HG1 VAL 129 1HG1 VAL 129 -1.071 5.107 2.195 988 2HG1 VAL 129 2HG1 VAL 129 -1.612 5.926 3.680 989 3HG1 VAL 129 3HG1 VAL 129 0.023 6.225 3.045 990 1HG2 VAL 129 1HG2 VAL 129 1.519 4.601 5.245 991 2HG2 VAL 129 2HG2 VAL 129 1.767 3.498 3.870 992 3HG2 VAL 129 3HG2 VAL 129 1.672 5.255 3.596 993 H ASN 130 H ASN 130 -2.386 5.045 7.350 994 HA ASN 130 HA ASN 130 -0.653 7.355 7.759 995 1HB ASN 130 1HB ASN 130 -3.566 7.143 7.416 996 2HB ASN 130 2HB ASN 130 -3.183 7.891 8.954 997 1HD2 ASN 130 1HD2 ASN 130 -1.463 7.935 5.844 998 2HD2 ASN 130 2HD2 ASN 130 -1.492 9.649 5.597 999 H GLU 131 H GLU 131 -3.188 5.242 9.322 1000 HA GLU 131 HA GLU 131 -1.569 5.360 11.748 1001 1HB GLU 131 1HB GLU 131 -4.569 4.873 11.693 1002 2HB GLU 131 2HB GLU 131 -3.573 5.277 13.077 1003 1HG GLU 131 1HG GLU 131 -3.203 7.327 11.068 1004 2HG GLU 131 2HG GLU 131 -4.924 7.071 11.276 1005 H ARG 132 H ARG 132 -4.092 3.368 10.036 1006 HA ARG 132 HA ARG 132 -3.915 1.082 11.302 1007 1HB ARG 132 1HB ARG 132 -3.865 1.464 8.268 1008 2HB ARG 132 2HB ARG 132 -4.237 -0.066 9.037 1009 1HG ARG 132 1HG ARG 132 -5.794 2.254 10.080 1010 2HG ARG 132 2HG ARG 132 -6.110 1.861 8.401 1011 1HD ARG 132 1HD ARG 132 -6.106 -0.661 9.578 1012 2HD ARG 132 2HD ARG 132 -6.783 0.327 10.857 1013 HE ARG 132 HE ARG 132 -8.219 1.203 8.707 1014 1HH1 ARG 132 2HH2 ARG 132 -7.452 -2.045 9.824 1015 2HH1 ARG 132 1HH2 ARG 132 -8.900 -2.746 9.182 1016 1HH2 ARG 132 2HH1 ARG 132 -10.130 0.279 7.861 1017 2HH2 ARG 132 1HH1 ARG 132 -10.434 -1.415 8.058 1018 H LEU 133 H LEU 133 -1.658 2.009 8.594 1019 HA LEU 133 HA LEU 133 -0.004 -0.246 8.957 1020 1HB LEU 133 1HB LEU 133 0.007 0.693 6.839 1021 2HB LEU 133 2HB LEU 133 0.168 2.331 7.442 1022 HG LEU 133 HG LEU 133 2.502 1.860 8.104 1023 1HD1 LEU 133 1HD1 LEU 133 2.633 -0.649 6.536 1024 2HD1 LEU 133 2HD1 LEU 133 3.513 -0.154 8.002 1025 3HD1 LEU 133 3HD1 LEU 133 1.843 -0.757 8.127 1026 1HD2 LEU 133 1HD2 LEU 133 2.324 1.050 5.228 1027 2HD2 LEU 133 2HD2 LEU 133 1.660 2.623 5.731 1028 3HD2 LEU 133 3HD2 LEU 133 3.376 2.249 6.020 1029 H ARG 134 H ARG 134 -0.079 3.064 10.305 1030 HA ARG 134 HA ARG 134 2.469 3.070 11.334 1031 1HB ARG 134 1HB ARG 134 0.817 5.020 11.196 1032 2HB ARG 134 2HB ARG 134 -0.002 4.357 12.596 1033 1HG ARG 134 1HG ARG 134 2.527 4.380 13.584 1034 2HG ARG 134 2HG ARG 134 2.695 5.675 12.416 1035 1HD ARG 134 1HD ARG 134 0.277 5.691 14.232 1036 2HD ARG 134 2HD ARG 134 1.825 6.161 14.906 1037 HE ARG 134 HE ARG 134 1.384 7.513 12.390 1038 1HH1 ARG 134 2HH2 ARG 134 0.397 7.551 15.768 1039 2HH1 ARG 134 1HH2 ARG 134 0.001 9.238 15.766 1040 1HH2 ARG 134 2HH1 ARG 134 0.862 9.738 12.387 1041 2HH2 ARG 134 1HH1 ARG 134 0.267 10.490 13.830 1042 H GLN 135 H GLN 135 -0.635 1.762 12.597 1043 HA GLN 135 HA GLN 135 0.241 1.274 15.178 1044 1HB GLN 135 1HB GLN 135 -2.086 0.721 13.553 1045 2HB GLN 135 2HB GLN 135 -1.659 -0.739 14.423 1046 1HG GLN 135 1HG GLN 135 -1.487 1.701 16.097 1047 2HG GLN 135 2HG GLN 135 -3.097 1.412 15.469 1048 1HE2 GLN 135 1HE2 GLN 135 -1.761 1.157 18.168 1049 2HE2 GLN 135 2HE2 GLN 135 -2.192 -0.415 18.753 1050 H ILE 136 H ILE 136 0.570 -0.557 12.126 1051 HA ILE 136 HA ILE 136 1.250 -3.027 13.117 1052 HB ILE 136 HB ILE 136 2.297 -1.586 10.678 1053 1HG1 ILE 136 1HG1 ILE 136 -0.018 -1.602 10.432 1054 2HG1 ILE 136 2HG1 ILE 136 0.492 -3.041 9.572 1055 1HG2 ILE 136 1HG2 ILE 136 2.252 -4.248 10.055 1056 2HG2 ILE 136 2HG2 ILE 136 3.696 -3.330 10.544 1057 3HG2 ILE 136 3HG2 ILE 136 2.794 -4.279 11.750 1058 1HD1 ILE 136 1HD1 ILE 136 -1.338 -3.777 10.898 1059 2HD1 ILE 136 2HD1 ILE 136 0.093 -4.310 11.812 1060 3HD1 ILE 136 3HD1 ILE 136 -0.793 -2.852 12.318 1061 H VAL 137 H VAL 137 2.981 0.023 13.279 1062 HA VAL 137 HA VAL 137 5.333 -1.433 14.273 1063 HB VAL 137 HB VAL 137 6.549 0.680 13.759 1064 1HG1 VAL 137 1HG1 VAL 137 5.791 0.236 11.081 1065 2HG1 VAL 137 2HG1 VAL 137 7.130 -0.526 11.974 1066 3HG1 VAL 137 3HG1 VAL 137 5.533 -1.312 11.922 1067 1HG2 VAL 137 1HG2 VAL 137 4.020 1.445 12.262 1068 2HG2 VAL 137 2HG2 VAL 137 4.564 2.179 13.789 1069 3HG2 VAL 137 3HG2 VAL 137 5.549 2.354 12.317 1070 H GLU 138 H GLU 138 2.850 1.054 14.868 1071 HA GLU 138 HA GLU 138 4.087 1.727 17.376 1072 1HB GLU 138 1HB GLU 138 1.864 2.819 15.691 1073 2HB GLU 138 2HB GLU 138 1.726 3.077 17.419 1074 1HG GLU 138 1HG GLU 138 4.451 3.613 16.390 1075 2HG GLU 138 2HG GLU 138 3.232 4.634 15.652 Start of MODEL 7 1 1H MET 1 H MET 1 -3.123 17.488 -14.838 2 HA MET 1 HA MET 1 -3.780 19.836 -13.685 3 1HB MET 1 1HB MET 1 -3.021 20.374 -16.333 4 2HB MET 1 2HB MET 1 -4.763 20.243 -16.471 5 1HG MET 1 1HG MET 1 -4.480 21.791 -14.168 6 2HG MET 1 2HG MET 1 -3.132 22.339 -15.145 7 1HE MET 1 1HE MET 1 -6.082 23.925 -14.278 8 2HE MET 1 2HE MET 1 -7.350 23.610 -15.487 9 3HE MET 1 3HE MET 1 -6.759 22.288 -14.452 10 H THR 2 H THR 2 -4.902 17.806 -16.486 11 HA THR 2 HA THR 2 -7.459 17.479 -15.065 12 HB THR 2 HB THR 2 -8.331 16.963 -17.363 13 HG1 THR 2 1HG THR 2 -6.289 16.136 -18.196 14 1HG2 THR 2 1HG2 THR 2 -7.119 19.537 -16.596 15 2HG2 THR 2 2HG2 THR 2 -7.087 19.295 -18.359 16 3HG2 THR 2 3HG2 THR 2 -8.633 19.232 -17.479 17 H ARG 3 H ARG 3 -8.508 15.235 -15.992 18 HA ARG 3 HA ARG 3 -8.504 13.082 -15.816 19 1HB ARG 3 1HB ARG 3 -5.766 13.600 -16.889 20 2HB ARG 3 2HB ARG 3 -5.953 12.036 -16.121 21 1HG ARG 3 1HG ARG 3 -7.719 11.383 -17.614 22 2HG ARG 3 2HG ARG 3 -7.983 13.028 -18.158 23 1HD ARG 3 1HD ARG 3 -6.088 13.028 -19.551 24 2HD ARG 3 2HD ARG 3 -5.249 11.822 -18.595 25 HE ARG 3 HE ARG 3 -6.989 11.299 -20.825 26 1HH1 ARG 3 2HH2 ARG 3 -6.151 10.024 -17.654 27 2HH1 ARG 3 1HH2 ARG 3 -6.583 8.395 -18.053 28 1HH2 ARG 3 2HH1 ARG 3 -7.559 9.150 -21.352 29 2HH2 ARG 3 1HH1 ARG 3 -7.390 7.894 -20.171 30 H LEU 4 H LEU 4 -8.104 11.335 -14.247 31 HA LEU 4 HA LEU 4 -7.502 12.279 -11.688 32 1HB LEU 4 1HB LEU 4 -7.701 9.456 -12.746 33 2HB LEU 4 2HB LEU 4 -7.657 9.896 -11.050 34 HG LEU 4 HG LEU 4 -9.814 10.701 -13.022 35 1HD1 LEU 4 1HD1 LEU 4 -11.183 9.191 -11.399 36 2HD1 LEU 4 2HD1 LEU 4 -10.205 8.448 -12.688 37 3HD1 LEU 4 3HD1 LEU 4 -9.598 8.478 -11.015 38 1HD2 LEU 4 1HD2 LEU 4 -10.353 12.300 -11.581 39 2HD2 LEU 4 2HD2 LEU 4 -10.717 11.035 -10.383 40 3HD2 LEU 4 3HD2 LEU 4 -9.096 11.768 -10.438 41 HA PRO 5 HA PRO 5 -3.162 12.010 -11.923 42 1HB PRO 5 1HB PRO 5 -2.610 12.979 -9.428 43 2HB PRO 5 2HB PRO 5 -2.896 14.011 -10.815 44 1HG PRO 5 1HG PRO 5 -4.690 13.424 -8.540 45 2HG PRO 5 2HG PRO 5 -4.770 14.745 -9.689 46 1HD PRO 5 1HD PRO 5 -6.411 12.392 -9.662 47 2HD PRO 5 2HD PRO 5 -6.412 13.657 -10.875 48 H ASP 6 H ASP 6 -1.329 11.346 -10.103 49 HA ASP 6 HA ASP 6 -1.995 8.587 -9.797 50 1HB ASP 6 1HB ASP 6 0.518 9.947 -8.761 51 2HB ASP 6 2HB ASP 6 0.329 8.280 -9.268 52 H ILE 7 H ILE 7 -2.008 7.466 -7.701 53 HA ILE 7 HA ILE 7 -2.804 9.210 -5.529 54 HB ILE 7 HB ILE 7 -2.956 6.252 -6.045 55 1HG1 ILE 7 1HG1 ILE 7 -5.105 8.322 -5.505 56 2HG1 ILE 7 2HG1 ILE 7 -4.617 7.786 -7.101 57 1HG2 ILE 7 1HG2 ILE 7 -2.899 7.632 -3.460 58 2HG2 ILE 7 2HG2 ILE 7 -4.357 6.643 -3.711 59 3HG2 ILE 7 3HG2 ILE 7 -2.744 5.902 -3.849 60 1HD1 ILE 7 1HD1 ILE 7 -5.117 5.380 -6.295 61 2HD1 ILE 7 2HD1 ILE 7 -5.917 6.140 -4.898 62 3HD1 ILE 7 3HD1 ILE 7 -6.519 6.448 -6.544 63 H LYS 8 H LYS 8 -0.451 10.068 -5.589 64 HA LYS 8 HA LYS 8 1.360 8.243 -4.214 65 1HB LYS 8 1HB LYS 8 2.551 9.190 -5.929 66 2HB LYS 8 2HB LYS 8 1.664 10.700 -5.880 67 1HG LYS 8 1HG LYS 8 2.792 11.286 -3.718 68 2HG LYS 8 2HG LYS 8 3.687 9.780 -3.781 69 1HD LYS 8 1HD LYS 8 4.189 10.873 -6.300 70 2HD LYS 8 2HD LYS 8 4.130 12.298 -5.281 71 1HE LYS 8 1HE LYS 8 5.973 11.627 -3.985 72 2HE LYS 8 2HE LYS 8 5.709 9.922 -4.293 73 1HZ LYS 8 1HZ LYS 8 7.360 11.660 -5.673 74 2HZ LYS 8 2HZ LYS 8 7.125 10.068 -5.950 75 3HZ LYS 8 3HZ LYS 8 6.202 11.175 -6.718 76 H LYS 9 H LYS 9 1.779 8.380 -2.062 77 HA LYS 9 HA LYS 9 1.078 10.873 -0.715 78 1HB LYS 9 1HB LYS 9 -0.210 8.217 -0.313 79 2HB LYS 9 2HB LYS 9 0.188 9.125 1.131 80 1HG LYS 9 1HG LYS 9 -1.906 10.028 0.692 81 2HG LYS 9 2HG LYS 9 -0.920 11.154 -0.219 82 1HD LYS 9 1HD LYS 9 -1.935 10.545 -2.152 83 2HD LYS 9 2HD LYS 9 -1.465 8.875 -1.912 84 1HE LYS 9 1HE LYS 9 -3.836 10.038 -0.406 85 2HE LYS 9 2HE LYS 9 -4.023 9.461 -2.050 86 1HZ LYS 9 1HZ LYS 9 -3.176 7.921 0.292 87 2HZ LYS 9 2HZ LYS 9 -4.471 7.662 -0.670 88 3HZ LYS 9 3HZ LYS 9 -2.966 7.362 -1.228 89 H GLU 10 H GLU 10 2.039 10.927 1.547 90 HA GLU 10 HA GLU 10 4.232 9.091 1.872 91 1HB GLU 10 1HB GLU 10 4.959 11.169 0.463 92 2HB GLU 10 2HB GLU 10 4.823 12.067 1.961 93 1HG GLU 10 1HG GLU 10 6.328 9.511 2.212 94 2HG GLU 10 2HG GLU 10 7.079 10.680 1.143 95 H VAL 11 H VAL 11 4.589 8.644 4.037 96 HA VAL 11 HA VAL 11 3.564 10.562 5.985 97 HB VAL 11 HB VAL 11 2.639 8.527 7.232 98 1HG1 VAL 11 1HG1 VAL 11 1.002 9.015 4.777 99 2HG1 VAL 11 2HG1 VAL 11 0.531 9.044 6.493 100 3HG1 VAL 11 3HG1 VAL 11 1.431 10.412 5.794 101 1HG2 VAL 11 1HG2 VAL 11 3.700 7.156 5.037 102 2HG2 VAL 11 2HG2 VAL 11 2.610 6.503 6.284 103 3HG2 VAL 11 3HG2 VAL 11 1.941 7.149 4.766 104 H ARG 12 H ARG 12 4.502 10.234 8.155 105 HA ARG 12 HA ARG 12 6.982 8.720 7.954 106 1HB ARG 12 1HB ARG 12 7.436 11.155 7.946 107 2HB ARG 12 2HB ARG 12 6.461 11.374 9.385 108 1HG ARG 12 1HG ARG 12 8.139 9.544 10.403 109 2HG ARG 12 2HG ARG 12 9.188 10.105 9.116 110 1HD ARG 12 1HD ARG 12 9.698 11.986 10.283 111 2HD ARG 12 2HD ARG 12 8.004 12.417 10.409 112 HE ARG 12 HE ARG 12 9.617 11.035 12.439 113 1HH1 ARG 12 2HH2 ARG 12 6.360 11.752 11.315 114 2HH1 ARG 12 1HH2 ARG 12 5.628 11.470 12.859 115 1HH2 ARG 12 2HH1 ARG 12 8.651 10.664 14.476 116 2HH2 ARG 12 1HH1 ARG 12 6.939 10.847 14.669 117 H PHE 13 H PHE 13 7.421 7.297 9.665 118 HA PHE 13 HA PHE 13 5.641 7.496 11.988 119 1HB PHE 13 1HB PHE 13 6.628 5.021 10.446 120 2HB PHE 13 2HB PHE 13 5.644 4.950 11.894 121 HD1 PHE 13 1HD PHE 13 3.834 7.333 11.109 122 HD2 PHE 13 2HD PHE 13 5.104 3.862 9.025 123 HE1 PHE 13 1HE PHE 13 1.757 7.418 9.702 124 HE2 PHE 13 2HE PHE 13 3.027 3.947 7.618 125 HZ PHE 13 HZ PHE 13 1.379 5.724 7.973 126 H ASN 14 H ASN 14 6.530 6.711 14.001 127 HA ASN 14 HA ASN 14 9.393 6.958 14.008 128 1HB ASN 14 1HB ASN 14 7.220 7.503 15.855 129 2HB ASN 14 2HB ASN 14 8.329 6.394 16.636 130 1HD2 ASN 14 1HD2 ASN 14 8.127 8.749 17.760 131 2HD2 ASN 14 2HD2 ASN 14 9.492 9.773 17.464 132 H ALA 15 H ALA 15 10.288 4.947 13.344 133 HA ALA 15 HA ALA 15 10.338 2.845 15.167 134 1HB ALA 15 1HB ALA 15 8.373 1.825 14.711 135 2HB ALA 15 2HB ALA 15 8.108 2.804 13.248 136 3HB ALA 15 3HB ALA 15 9.124 1.345 13.171 137 HA PRO 16 HA PRO 16 13.643 1.869 12.555 138 1HB PRO 16 1HB PRO 16 14.040 -0.802 12.973 139 2HB PRO 16 2HB PRO 16 14.579 0.434 14.092 140 1HG PRO 16 1HG PRO 16 12.281 -1.410 14.333 141 2HG PRO 16 2HG PRO 16 13.082 -0.485 15.587 142 1HD PRO 16 1HD PRO 16 10.562 0.115 14.356 143 2HD PRO 16 2HD PRO 16 11.418 1.100 15.525 144 H ILE 17 H ILE 17 14.064 1.693 10.431 145 HA ILE 17 HA ILE 17 11.996 0.978 8.747 146 HB ILE 17 HB ILE 17 13.984 2.401 8.247 147 1HG1 ILE 17 1HG1 ILE 17 13.822 0.351 6.078 148 2HG1 ILE 17 2HG1 ILE 17 12.332 1.127 6.577 149 1HG2 ILE 17 1HG2 ILE 17 15.359 -0.286 7.994 150 2HG2 ILE 17 2HG2 ILE 17 15.998 1.240 7.337 151 3HG2 ILE 17 3HG2 ILE 17 15.775 1.051 9.093 152 1HD1 ILE 17 1HD1 ILE 17 14.848 2.704 5.889 153 2HD1 ILE 17 2HD1 ILE 17 13.596 2.298 4.690 154 3HD1 ILE 17 3HD1 ILE 17 13.194 3.331 6.083 155 H GLU 18 H GLU 18 14.322 -0.995 10.493 156 HA GLU 18 HA GLU 18 14.204 -3.217 8.806 157 1HB GLU 18 1HB GLU 18 15.652 -2.494 11.050 158 2HB GLU 18 2HB GLU 18 14.608 -3.742 11.702 159 1HG GLU 18 1HG GLU 18 15.678 -4.540 9.090 160 2HG GLU 18 2HG GLU 18 16.975 -4.120 10.191 161 H LYS 19 H LYS 19 12.026 -1.882 11.231 162 HA LYS 19 HA LYS 19 10.587 -4.368 11.530 163 1HB LYS 19 1HB LYS 19 10.995 -2.653 13.375 164 2HB LYS 19 2HB LYS 19 9.815 -1.635 12.574 165 1HG LYS 19 1HG LYS 19 8.036 -3.158 12.961 166 2HG LYS 19 2HG LYS 19 9.115 -4.519 13.190 167 1HD LYS 19 1HD LYS 19 9.999 -3.181 15.278 168 2HD LYS 19 2HD LYS 19 8.528 -2.242 15.113 169 1HE LYS 19 1HE LYS 19 7.399 -3.866 16.221 170 2HE LYS 19 2HE LYS 19 7.718 -4.966 14.895 171 1HZ LYS 19 1HZ LYS 19 10.039 -4.987 16.188 172 2HZ LYS 19 2HZ LYS 19 9.009 -4.781 17.438 173 3HZ LYS 19 3HZ LYS 19 8.841 -6.067 16.446 174 H VAL 20 H VAL 20 9.916 -1.033 10.249 175 HA VAL 20 HA VAL 20 7.431 -1.633 9.190 176 HB VAL 20 HB VAL 20 9.542 0.359 8.347 177 1HG1 VAL 20 1HG1 VAL 20 7.674 -0.257 6.639 178 2HG1 VAL 20 2HG1 VAL 20 6.606 0.649 7.738 179 3HG1 VAL 20 3HG1 VAL 20 8.003 1.458 6.988 180 1HG2 VAL 20 1HG2 VAL 20 8.471 1.917 9.762 181 2HG2 VAL 20 2HG2 VAL 20 7.039 0.879 9.964 182 3HG2 VAL 20 3HG2 VAL 20 8.584 0.421 10.720 183 H TRP 21 H TRP 21 10.744 -2.050 7.855 184 HA TRP 21 HA TRP 21 10.040 -2.651 5.247 185 1HB TRP 21 1HB TRP 21 12.311 -2.202 5.915 186 2HB TRP 21 2HB TRP 21 12.342 -3.618 6.948 187 HD1 TRP 21 HD TRP 21 13.806 -5.435 5.789 188 HE1 TRP 21 1HE TRP 21 14.209 -6.419 3.374 189 HE3 TRP 21 3HE TRP 21 10.625 -2.270 3.399 190 HZ2 TRP 21 2HZ TRP 21 13.174 -5.777 0.793 191 HZ3 TRP 21 3HZ TRP 21 10.379 -2.515 0.931 192 HH2 TRP 21 HH TRP 21 11.591 -4.194 -0.368 193 H GLU 22 H GLU 22 10.585 -4.857 8.091 194 HA GLU 22 HA GLU 22 9.835 -7.148 6.733 195 1HB GLU 22 1HB GLU 22 10.670 -6.421 9.369 196 2HB GLU 22 2HB GLU 22 9.191 -7.342 9.555 197 1HG GLU 22 1HG GLU 22 10.522 -8.831 7.630 198 2HG GLU 22 2HG GLU 22 11.860 -8.228 8.588 199 H ALA 23 H ALA 23 7.965 -4.523 8.131 200 HA ALA 23 HA ALA 23 5.550 -6.041 8.393 201 1HB ALA 23 1HB ALA 23 5.464 -3.073 8.198 202 2HB ALA 23 2HB ALA 23 4.767 -4.161 9.422 203 3HB ALA 23 3HB ALA 23 6.494 -3.735 9.490 204 H VAL 24 H VAL 24 7.348 -4.643 5.800 205 HA VAL 24 HA VAL 24 4.933 -4.722 4.124 206 HB VAL 24 HB VAL 24 5.917 -3.005 2.751 207 1HG1 VAL 24 1HG1 VAL 24 4.939 -1.499 4.071 208 2HG1 VAL 24 2HG1 VAL 24 5.043 -2.642 5.432 209 3HG1 VAL 24 3HG1 VAL 24 6.360 -1.480 5.143 210 1HG2 VAL 24 1HG2 VAL 24 8.340 -3.822 3.546 211 2HG2 VAL 24 2HG2 VAL 24 8.045 -2.191 2.896 212 3HG2 VAL 24 3HG2 VAL 24 8.145 -2.443 4.655 213 H SER 25 H SER 25 7.271 -6.663 5.051 214 HA SER 25 HA SER 25 8.030 -7.387 2.330 215 1HB SER 25 1HB SER 25 10.090 -8.173 3.115 216 2HB SER 25 2HB SER 25 9.824 -6.780 4.145 217 HG SER 25 HG SER 25 8.751 -8.454 5.650 218 H THR 26 H THR 26 6.594 -8.394 5.425 219 HA THR 26 HA THR 26 6.224 -11.113 4.390 220 HB THR 26 HB THR 26 5.560 -11.521 6.819 221 HG1 THR 26 1HG THR 26 5.034 -9.089 6.938 222 1HG2 THR 26 1HG2 THR 26 7.782 -11.970 7.108 223 2HG2 THR 26 2HG2 THR 26 8.208 -10.821 5.817 224 3HG2 THR 26 3HG2 THR 26 8.033 -10.251 7.494 225 H SER 27 H SER 27 4.043 -12.136 4.888 226 HA SER 27 HA SER 27 2.105 -10.408 3.715 227 1HB SER 27 1HB SER 27 1.618 -13.228 4.739 228 2HB SER 27 2HB SER 27 0.761 -12.384 3.464 229 HG SER 27 HG SER 27 2.501 -12.624 2.069 230 H GLU 28 H GLU 28 2.618 -12.143 6.847 231 HA GLU 28 HA GLU 28 0.197 -11.463 7.979 232 1HB GLU 28 1HB GLU 28 2.573 -12.809 8.754 233 2HB GLU 28 2HB GLU 28 2.344 -11.554 9.954 234 1HG GLU 28 1HG GLU 28 0.028 -13.330 9.099 235 2HG GLU 28 2HG GLU 28 1.164 -13.865 10.322 236 H GLY 29 H GLY 29 3.267 -9.667 7.650 237 1HA GLY 29 1HA GLY 29 2.553 -7.593 9.497 238 2HA GLY 29 2HA GLY 29 3.895 -7.612 8.370 239 H LEU 30 H LEU 30 2.320 -8.151 5.944 240 HA LEU 30 HA LEU 30 1.523 -5.459 5.425 241 1HB LEU 30 1HB LEU 30 2.142 -7.885 3.926 242 2HB LEU 30 2HB LEU 30 0.782 -7.008 3.253 243 HG LEU 30 HG LEU 30 2.940 -5.180 3.887 244 1HD1 LEU 30 1HD1 LEU 30 4.375 -6.122 1.910 245 2HD1 LEU 30 2HD1 LEU 30 4.600 -6.741 3.564 246 3HD1 LEU 30 3HD1 LEU 30 3.649 -7.677 2.386 247 1HD2 LEU 30 1HD2 LEU 30 0.868 -5.285 2.134 248 2HD2 LEU 30 2HD2 LEU 30 2.258 -4.183 1.991 249 3HD2 LEU 30 3HD2 LEU 30 2.231 -5.706 1.069 250 H ALA 31 H ALA 31 -0.169 -8.676 5.401 251 HA ALA 31 HA ALA 31 -2.698 -7.709 4.900 252 1HB ALA 31 1HB ALA 31 -1.879 -10.107 4.932 253 2HB ALA 31 2HB ALA 31 -1.990 -10.050 6.707 254 3HB ALA 31 3HB ALA 31 -3.455 -9.845 5.717 255 H PHE 32 H PHE 32 -0.666 -7.300 7.698 256 HA PHE 32 HA PHE 32 -2.621 -7.091 9.676 257 1HB PHE 32 1HB PHE 32 0.155 -6.927 9.398 258 2HB PHE 32 2HB PHE 32 -0.242 -5.248 9.701 259 HD1 PHE 32 1HD PHE 32 1.068 -7.811 11.323 260 HD2 PHE 32 2HD PHE 32 -2.373 -5.350 11.652 261 HE1 PHE 32 1HE PHE 32 0.970 -8.279 13.787 262 HE2 PHE 32 2HE PHE 32 -2.471 -5.817 14.116 263 HZ PHE 32 HZ PHE 32 -0.799 -7.276 15.154 264 H TRP 33 H TRP 33 -1.790 -5.001 6.990 265 HA TRP 33 HA TRP 33 -3.668 -3.021 8.051 266 1HB TRP 33 1HB TRP 33 -2.257 -1.206 7.209 267 2HB TRP 33 2HB TRP 33 -1.516 -2.090 8.528 268 HD1 TRP 33 HD TRP 33 0.626 -3.712 7.841 269 HE1 TRP 33 1HE TRP 33 2.393 -3.635 5.882 270 HE3 TRP 33 3HE TRP 33 -2.054 -0.603 4.840 271 HZ2 TRP 33 2HZ TRP 33 2.470 -2.312 3.355 272 HZ3 TRP 33 3HZ TRP 33 -1.061 0.032 2.643 273 HH2 TRP 33 HH TRP 33 1.120 -0.769 1.886 274 H PHE 34 H PHE 34 -1.714 -4.235 5.242 275 HA PHE 34 HA PHE 34 -3.431 -3.104 3.313 276 1HB PHE 34 1HB PHE 34 -1.118 -3.700 2.781 277 2HB PHE 34 2HB PHE 34 -1.312 -5.313 3.438 278 HD1 PHE 34 1HD PHE 34 -0.743 -6.667 1.617 279 HD2 PHE 34 2HD PHE 34 -3.578 -3.556 1.075 280 HE1 PHE 34 1HE PHE 34 -1.262 -7.539 -0.679 281 HE2 PHE 34 2HE PHE 34 -4.097 -4.428 -1.221 282 HZ PHE 34 HZ PHE 34 -2.932 -6.409 -2.070 283 H MET 35 H MET 35 -2.748 -6.616 3.291 284 HA MET 35 HA MET 35 -5.284 -7.424 4.092 285 1HB MET 35 1HB MET 35 -4.905 -6.679 1.218 286 2HB MET 35 2HB MET 35 -5.612 -8.265 1.452 287 1HG MET 35 1HG MET 35 -7.619 -7.353 2.004 288 2HG MET 35 2HG MET 35 -6.886 -6.397 3.277 289 1HE MET 35 1HE MET 35 -7.462 -5.514 -1.087 290 2HE MET 35 2HE MET 35 -5.717 -5.501 -0.740 291 3HE MET 35 3HE MET 35 -6.693 -6.936 -0.344 292 H GLU 36 H GLU 36 -5.648 -9.832 3.566 293 HA GLU 36 HA GLU 36 -3.377 -11.224 4.194 294 1HB GLU 36 1HB GLU 36 -6.090 -11.991 3.115 295 2HB GLU 36 2HB GLU 36 -4.852 -13.225 3.233 296 1HG GLU 36 1HG GLU 36 -4.738 -11.805 5.699 297 2HG GLU 36 2HG GLU 36 -6.445 -12.010 5.360 298 H ASN 37 H ASN 37 -1.846 -12.444 3.018 299 HA ASN 37 HA ASN 37 -2.170 -12.795 0.231 300 1HB ASN 37 1HB ASN 37 -0.137 -11.479 -0.437 301 2HB ASN 37 2HB ASN 37 -1.404 -10.442 0.189 302 1HD2 ASN 37 1HD2 ASN 37 -1.337 -10.148 2.640 303 2HD2 ASN 37 2HD2 ASN 37 0.206 -9.792 3.343 304 H ASP 38 H ASP 38 0.354 -13.481 -0.578 305 HA ASP 38 HA ASP 38 1.359 -15.153 1.589 306 1HB ASP 38 1HB ASP 38 0.520 -15.806 -1.177 307 2HB ASP 38 2HB ASP 38 2.117 -16.415 -0.790 308 H LEU 39 H LEU 39 2.004 -12.389 0.136 309 HA LEU 39 HA LEU 39 4.256 -12.534 -1.379 310 1HB LEU 39 1HB LEU 39 2.906 -10.522 -0.804 311 2HB LEU 39 2HB LEU 39 3.680 -10.488 0.768 312 HG LEU 39 HG LEU 39 5.730 -10.583 -1.232 313 1HD1 LEU 39 1HD1 LEU 39 5.233 -8.357 -2.313 314 2HD1 LEU 39 2HD1 LEU 39 4.250 -9.730 -2.878 315 3HD1 LEU 39 3HD1 LEU 39 3.557 -8.544 -1.745 316 1HD2 LEU 39 1HD2 LEU 39 5.742 -9.649 1.137 317 2HD2 LEU 39 2HD2 LEU 39 6.567 -8.688 -0.114 318 3HD2 LEU 39 3HD2 LEU 39 4.953 -8.205 0.459 319 H LYS 40 H LYS 40 6.558 -12.320 -0.906 320 HA LYS 40 HA LYS 40 7.365 -12.986 1.790 321 1HB LYS 40 1HB LYS 40 6.932 -15.065 -0.006 322 2HB LYS 40 2HB LYS 40 8.658 -14.788 -0.117 323 1HG LYS 40 1HG LYS 40 9.020 -15.237 2.180 324 2HG LYS 40 2HG LYS 40 7.359 -14.891 2.616 325 1HD LYS 40 1HD LYS 40 7.795 -17.168 0.706 326 2HD LYS 40 2HD LYS 40 8.324 -17.422 2.358 327 1HE LYS 40 1HE LYS 40 5.886 -16.363 2.891 328 2HE LYS 40 2HE LYS 40 5.539 -17.001 1.296 329 1HZ LYS 40 1HZ LYS 40 6.763 -19.063 2.328 330 2HZ LYS 40 2HZ LYS 40 6.196 -18.422 3.719 331 3HZ LYS 40 3HZ LYS 40 5.159 -18.825 2.524 332 H ALA 41 H ALA 41 7.508 -10.735 -0.246 333 HA ALA 41 HA ALA 41 8.999 -9.350 -1.141 334 1HB ALA 41 1HB ALA 41 10.310 -10.304 1.412 335 2HB ALA 41 2HB ALA 41 11.102 -9.090 0.378 336 3HB ALA 41 3HB ALA 41 9.500 -8.755 1.078 337 H GLU 42 H GLU 42 9.044 -11.134 -2.924 338 HA GLU 42 HA GLU 42 11.819 -11.554 -3.480 339 1HB GLU 42 1HB GLU 42 10.512 -13.652 -2.253 340 2HB GLU 42 2HB GLU 42 10.244 -14.034 -3.942 341 1HG GLU 42 1HG GLU 42 12.490 -14.415 -4.364 342 2HG GLU 42 2HG GLU 42 13.026 -13.179 -3.243 343 H THR 43 H THR 43 11.965 -10.624 -5.475 344 HA THR 43 HA THR 43 9.858 -10.074 -7.146 345 HB THR 43 HB THR 43 12.478 -9.427 -7.056 346 HG1 THR 43 1HG THR 43 10.645 -8.534 -8.363 347 1HG2 THR 43 1HG2 THR 43 13.069 -11.786 -7.996 348 2HG2 THR 43 2HG2 THR 43 12.303 -11.237 -9.507 349 3HG2 THR 43 3HG2 THR 43 13.732 -10.387 -8.874 350 H GLY 44 H GLY 44 8.771 -11.044 -8.812 351 1HA GLY 44 1HA GLY 44 8.042 -12.697 -10.156 352 2HA GLY 44 2HA GLY 44 9.619 -13.452 -10.034 353 H HIS 45 H HIS 45 7.412 -12.659 -7.294 354 HA HIS 45 HA HIS 45 7.193 -15.546 -6.835 355 1HB HIS 45 1HB HIS 45 8.594 -14.457 -5.165 356 2HB HIS 45 2HB HIS 45 7.341 -13.278 -4.831 357 HD1 HIS 45 1HD HIS 45 7.375 -17.127 -4.922 358 HD2 HIS 45 2HD HIS 45 6.110 -13.943 -2.501 359 HE1 HIS 45 1HE HIS 45 6.267 -18.179 -2.879 360 H HIS 46 H HIS 46 5.347 -15.079 -8.499 361 HA HIS 46 HA HIS 46 3.180 -13.578 -8.044 362 1HB HIS 46 1HB HIS 46 1.913 -15.664 -9.041 363 2HB HIS 46 2HB HIS 46 3.037 -14.725 -10.004 364 HD1 HIS 46 1HD HIS 46 3.928 -16.529 -11.543 365 HD2 HIS 46 2HD HIS 46 4.152 -17.594 -7.491 366 HE1 HIS 46 1HE HIS 46 5.264 -18.701 -11.447 367 H PHE 47 H PHE 47 2.161 -13.189 -6.135 368 HA PHE 47 HA PHE 47 1.515 -15.546 -4.507 369 1HB PHE 47 1HB PHE 47 1.812 -14.080 -2.594 370 2HB PHE 47 2HB PHE 47 3.151 -13.695 -3.656 371 HD1 PHE 47 1HD PHE 47 0.017 -12.496 -2.229 372 HD2 PHE 47 2HD PHE 47 3.197 -11.582 -4.887 373 HE1 PHE 47 1HE PHE 47 -0.677 -10.084 -2.230 374 HE2 PHE 47 2HE PHE 47 2.503 -9.170 -4.888 375 HZ PHE 47 HZ PHE 47 0.575 -8.450 -3.559 376 H HIS 48 H HIS 48 -0.610 -15.824 -3.807 377 HA HIS 48 HA HIS 48 -2.559 -14.331 -5.264 378 1HB HIS 48 1HB HIS 48 -2.690 -16.625 -3.303 379 2HB HIS 48 2HB HIS 48 -4.135 -15.856 -3.929 380 HD1 HIS 48 1HD HIS 48 -1.174 -17.945 -5.041 381 HD2 HIS 48 2HD HIS 48 -4.824 -16.537 -6.554 382 HE1 HIS 48 1HE HIS 48 -1.556 -19.174 -7.245 383 H LEU 49 H LEU 49 -4.468 -13.289 -4.189 384 HA LEU 49 HA LEU 49 -3.758 -12.207 -1.559 385 1HB LEU 49 1HB LEU 49 -3.101 -10.533 -3.121 386 2HB LEU 49 2HB LEU 49 -4.598 -10.681 -4.019 387 HG LEU 49 HG LEU 49 -5.734 -9.923 -1.793 388 1HD1 LEU 49 1HD1 LEU 49 -4.499 -9.168 -0.096 389 2HD1 LEU 49 2HD1 LEU 49 -3.135 -10.013 -0.867 390 3HD1 LEU 49 3HD1 LEU 49 -3.397 -8.279 -1.175 391 1HD2 LEU 49 1HD2 LEU 49 -4.518 -8.450 -4.006 392 2HD2 LEU 49 2HD2 LEU 49 -6.134 -8.303 -3.272 393 3HD2 LEU 49 3HD2 LEU 49 -4.746 -7.458 -2.545 394 H GLN 50 H GLN 50 -5.391 -12.319 -0.089 395 HA GLN 50 HA GLN 50 -7.916 -13.286 -1.134 396 1HB GLN 50 1HB GLN 50 -6.682 -13.320 1.648 397 2HB GLN 50 2HB GLN 50 -8.343 -13.794 1.351 398 1HG GLN 50 1HG GLN 50 -6.488 -15.087 -0.537 399 2HG GLN 50 2HG GLN 50 -6.069 -15.441 1.127 400 1HE2 GLN 50 1HE2 GLN 50 -8.671 -15.463 -1.249 401 2HE2 GLN 50 2HE2 GLN 50 -9.621 -16.731 -0.548 402 H SER 51 H SER 51 -8.457 -11.074 -1.952 403 HA SER 51 HA SER 51 -8.888 -9.106 0.092 404 1HB SER 51 1HB SER 51 -8.930 -7.580 -1.620 405 2HB SER 51 2HB SER 51 -8.134 -8.870 -2.498 406 HG SER 51 HG SER 51 -10.929 -8.145 -2.551 407 HA PRO 52 HA PRO 52 -13.193 -9.703 0.401 408 1HB PRO 52 1HB PRO 52 -14.295 -7.202 0.380 409 2HB PRO 52 2HB PRO 52 -13.502 -7.888 1.784 410 1HG PRO 52 1HG PRO 52 -12.508 -5.820 -0.080 411 2HG PRO 52 2HG PRO 52 -11.941 -6.209 1.532 412 1HD PRO 52 1HD PRO 52 -10.688 -6.925 -0.947 413 2HD PRO 52 2HD PRO 52 -10.186 -7.410 0.660 414 H PHE 53 H PHE 53 -12.647 -7.321 -2.144 415 HA PHE 53 HA PHE 53 -15.025 -8.128 -3.494 416 1HB PHE 53 1HB PHE 53 -12.530 -6.533 -4.339 417 2HB PHE 53 2HB PHE 53 -14.035 -6.554 -5.236 418 HD1 PHE 53 1HD PHE 53 -16.165 -5.888 -3.749 419 HD2 PHE 53 2HD PHE 53 -12.160 -4.747 -2.934 420 HE1 PHE 53 1HE PHE 53 -16.994 -3.937 -2.404 421 HE2 PHE 53 2HE PHE 53 -12.989 -2.796 -1.590 422 HZ PHE 53 HZ PHE 53 -15.396 -2.415 -1.341 423 H GLY 54 H GLY 54 -13.870 -10.519 -3.144 424 1HA GLY 54 1HA GLY 54 -13.413 -12.361 -4.382 425 2HA GLY 54 2HA GLY 54 -13.304 -11.371 -5.824 426 HA PRO 55 HA PRO 55 -9.086 -12.421 -4.056 427 1HB PRO 55 1HB PRO 55 -8.546 -14.929 -4.997 428 2HB PRO 55 2HB PRO 55 -9.099 -14.617 -3.364 429 1HG PRO 55 1HG PRO 55 -10.608 -15.724 -5.652 430 2HG PRO 55 2HG PRO 55 -10.993 -15.799 -3.944 431 1HD PRO 55 1HD PRO 55 -12.194 -14.079 -5.900 432 2HD PRO 55 2HD PRO 55 -12.495 -14.073 -4.174 433 H SER 56 H SER 56 -7.159 -11.963 -5.098 434 HA SER 56 HA SER 56 -7.348 -12.220 -7.978 435 1HB SER 56 1HB SER 56 -7.285 -9.696 -6.438 436 2HB SER 56 2HB SER 56 -6.032 -9.782 -7.660 437 HG SER 56 HG SER 56 -7.501 -9.689 -9.247 438 HA PRO 57 HA PRO 57 -3.255 -13.554 -7.238 439 1HB PRO 57 1HB PRO 57 -2.449 -13.929 -9.822 440 2HB PRO 57 2HB PRO 57 -3.382 -15.112 -8.929 441 1HG PRO 57 1HG PRO 57 -4.277 -13.277 -11.066 442 2HG PRO 57 2HG PRO 57 -5.056 -14.728 -10.468 443 1HD PRO 57 1HD PRO 57 -5.795 -12.019 -9.885 444 2HD PRO 57 2HD PRO 57 -6.499 -13.468 -9.197 445 H CYS 58 H CYS 58 -1.710 -12.325 -6.389 446 HA CYS 58 HA CYS 58 -1.106 -9.923 -7.927 447 1HB CYS 58 1HB CYS 58 -0.588 -10.645 -5.028 448 2HB CYS 58 2HB CYS 58 0.063 -9.211 -5.794 449 HG CYS 58 HG CYS 58 -3.016 -10.127 -5.128 450 H GLN 59 H GLN 59 1.263 -9.331 -8.108 451 HA GLN 59 HA GLN 59 3.061 -11.551 -7.761 452 1HB GLN 59 1HB GLN 59 2.192 -11.937 -10.028 453 2HB GLN 59 2HB GLN 59 2.529 -10.278 -10.481 454 1HG GLN 59 1HG GLN 59 4.873 -11.744 -9.372 455 2HG GLN 59 2HG GLN 59 4.258 -12.402 -10.876 456 1HE2 GLN 59 1HE2 GLN 59 6.416 -11.690 -11.583 457 2HE2 GLN 59 2HE2 GLN 59 6.619 -10.079 -12.184 458 H VAL 60 H VAL 60 5.259 -10.888 -7.535 459 HA VAL 60 HA VAL 60 5.527 -8.022 -7.106 460 HB VAL 60 HB VAL 60 7.369 -10.318 -6.410 461 1HG1 VAL 60 1HG1 VAL 60 7.871 -8.277 -4.636 462 2HG1 VAL 60 2HG1 VAL 60 8.833 -8.639 -6.090 463 3HG1 VAL 60 3HG1 VAL 60 7.564 -7.392 -6.149 464 1HG2 VAL 60 1HG2 VAL 60 6.320 -10.587 -4.400 465 2HG2 VAL 60 2HG2 VAL 60 5.780 -8.892 -4.325 466 3HG2 VAL 60 3HG2 VAL 60 4.919 -10.056 -5.360 467 H THR 61 H THR 61 6.901 -6.701 -8.281 468 HA THR 61 HA THR 61 8.163 -7.997 -10.604 469 HB THR 61 HB THR 61 7.800 -5.823 -11.719 470 HG1 THR 61 1HG THR 61 7.939 -4.270 -10.109 471 1HG2 THR 61 1HG2 THR 61 5.771 -7.243 -11.728 472 2HG2 THR 61 2HG2 THR 61 5.349 -6.680 -10.093 473 3HG2 THR 61 3HG2 THR 61 5.302 -5.547 -11.464 474 H ASP 62 H ASP 62 8.643 -5.905 -7.774 475 HA ASP 62 HA ASP 62 11.456 -6.313 -8.109 476 1HB ASP 62 1HB ASP 62 10.294 -3.898 -9.014 477 2HB ASP 62 2HB ASP 62 10.945 -3.495 -7.437 478 H VAL 63 H VAL 63 12.408 -6.470 -6.028 479 HA VAL 63 HA VAL 63 11.304 -5.103 -3.791 480 HB VAL 63 HB VAL 63 9.625 -6.761 -3.830 481 1HG1 VAL 63 1HG1 VAL 63 10.768 -8.315 -5.401 482 2HG1 VAL 63 2HG1 VAL 63 11.780 -8.889 -4.054 483 3HG1 VAL 63 3HG1 VAL 63 10.019 -9.147 -4.017 484 1HG2 VAL 63 1HG2 VAL 63 11.115 -6.350 -1.660 485 2HG2 VAL 63 2HG2 VAL 63 9.777 -7.524 -1.675 486 3HG2 VAL 63 3HG2 VAL 63 11.455 -8.085 -1.870 487 H GLU 64 H GLU 64 13.208 -4.398 -2.967 488 HA GLU 64 HA GLU 64 15.094 -6.387 -2.170 489 1HB GLU 64 1HB GLU 64 15.787 -5.890 -4.523 490 2HB GLU 64 2HB GLU 64 15.950 -4.195 -4.112 491 1HG GLU 64 1HG GLU 64 18.062 -4.584 -3.393 492 2HG GLU 64 2HG GLU 64 17.431 -5.623 -2.131 493 H ARG 65 H ARG 65 15.131 -5.810 -0.027 494 HA ARG 65 HA ARG 65 15.348 -4.631 1.771 495 1HB ARG 65 1HB ARG 65 17.297 -3.484 -0.102 496 2HB ARG 65 2HB ARG 65 16.774 -2.276 1.054 497 1HG ARG 65 1HG ARG 65 18.312 -3.199 2.462 498 2HG ARG 65 2HG ARG 65 17.139 -4.479 2.698 499 1HD ARG 65 1HD ARG 65 18.963 -5.765 2.042 500 2HD ARG 65 2HD ARG 65 18.250 -5.473 0.468 501 HE ARG 65 HE ARG 65 20.086 -3.344 1.174 502 1HH1 ARG 65 2HH2 ARG 65 19.967 -6.656 -0.007 503 2HH1 ARG 65 1HH2 ARG 65 21.491 -6.555 -0.824 504 1HH2 ARG 65 2HH1 ARG 65 22.097 -3.210 0.097 505 2HH2 ARG 65 1HH1 ARG 65 22.711 -4.581 -0.764 506 HA PRO 66 HA PRO 66 12.513 -1.312 1.868 507 1HB PRO 66 1HB PRO 66 13.309 0.265 3.953 508 2HB PRO 66 2HB PRO 66 12.444 -1.244 4.168 509 1HG PRO 66 1HG PRO 66 15.309 -0.669 4.615 510 2HG PRO 66 2HG PRO 66 14.352 -2.010 5.212 511 1HD PRO 66 1HD PRO 66 16.233 -2.075 3.048 512 2HD PRO 66 2HD PRO 66 15.192 -3.384 3.571 513 H ILE 67 H ILE 67 13.422 -0.762 -0.337 514 HA ILE 67 HA ILE 67 13.968 2.082 -0.209 515 HB ILE 67 HB ILE 67 15.830 1.757 -1.906 516 1HG1 ILE 67 1HG1 ILE 67 17.005 -0.580 -1.141 517 2HG1 ILE 67 2HG1 ILE 67 15.318 -1.055 -1.133 518 1HG2 ILE 67 1HG2 ILE 67 17.337 2.102 -0.257 519 2HG2 ILE 67 2HG2 ILE 67 15.871 2.201 0.746 520 3HG2 ILE 67 3HG2 ILE 67 16.805 0.687 0.684 521 1HD1 ILE 67 1HD1 ILE 67 15.714 -1.413 -3.371 522 2HD1 ILE 67 2HD1 ILE 67 15.365 0.329 -3.481 523 3HD1 ILE 67 3HD1 ILE 67 17.051 -0.239 -3.426 524 H LYS 68 H LYS 68 13.495 -0.885 -2.220 525 HA LYS 68 HA LYS 68 11.565 0.652 -3.777 526 1HB LYS 68 1HB LYS 68 13.492 0.855 -5.147 527 2HB LYS 68 2HB LYS 68 13.961 -0.813 -4.890 528 1HG LYS 68 1HG LYS 68 12.725 -1.469 -6.671 529 2HG LYS 68 2HG LYS 68 11.273 -0.822 -5.933 530 1HD LYS 68 1HD LYS 68 11.820 1.446 -6.838 531 2HD LYS 68 2HD LYS 68 13.276 0.804 -7.571 532 1HE LYS 68 1HE LYS 68 12.130 -0.179 -9.303 533 2HE LYS 68 2HE LYS 68 10.832 -0.733 -8.265 534 1HZ LYS 68 1HZ LYS 68 10.100 1.629 -8.200 535 2HZ LYS 68 2HZ LYS 68 11.178 1.954 -9.383 536 3HZ LYS 68 3HZ LYS 68 9.955 0.908 -9.657 537 H LEU 69 H LEU 69 9.660 -0.407 -3.767 538 HA LEU 69 HA LEU 69 9.689 -3.295 -3.959 539 1HB LEU 69 1HB LEU 69 9.840 -2.859 -1.552 540 2HB LEU 69 2HB LEU 69 8.403 -1.860 -1.632 541 HG LEU 69 HG LEU 69 7.270 -4.023 -2.592 542 1HD1 LEU 69 1HD1 LEU 69 9.069 -5.584 -0.855 543 2HD1 LEU 69 2HD1 LEU 69 8.293 -6.012 -2.399 544 3HD1 LEU 69 3HD1 LEU 69 9.787 -5.045 -2.392 545 1HD2 LEU 69 1HD2 LEU 69 6.289 -4.280 -0.566 546 2HD2 LEU 69 2HD2 LEU 69 7.837 -4.326 0.310 547 3HD2 LEU 69 3HD2 LEU 69 7.164 -2.768 -0.227 548 H SER 70 H SER 70 8.039 -4.005 -5.244 549 HA SER 70 HA SER 70 5.719 -2.322 -5.493 550 1HB SER 70 1HB SER 70 7.606 -1.737 -7.265 551 2HB SER 70 2HB SER 70 7.061 -3.203 -8.057 552 HG SER 70 HG SER 70 5.083 -1.310 -7.239 553 H PHE 71 H PHE 71 3.910 -3.485 -6.616 554 HA PHE 71 HA PHE 71 4.327 -6.258 -7.224 555 1HB PHE 71 1HB PHE 71 3.029 -7.108 -5.379 556 2HB PHE 71 2HB PHE 71 4.049 -5.898 -4.626 557 HD1 PHE 71 1HD PHE 71 3.085 -4.202 -3.359 558 HD2 PHE 71 2HD PHE 71 0.668 -6.323 -6.128 559 HE1 PHE 71 1HE PHE 71 1.047 -3.034 -2.475 560 HE2 PHE 71 2HE PHE 71 -1.370 -5.156 -5.243 561 HZ PHE 71 HZ PHE 71 -1.156 -3.525 -3.427 562 H THR 72 H THR 72 2.738 -7.038 -8.617 563 HA THR 72 HA THR 72 0.846 -5.045 -9.549 564 HB THR 72 HB THR 72 0.594 -6.653 -11.423 565 HG1 THR 72 1HG THR 72 0.728 -8.613 -10.181 566 1HG2 THR 72 1HG2 THR 72 2.610 -6.006 -12.277 567 2HG2 THR 72 2HG2 THR 72 3.117 -5.510 -10.644 568 3HG2 THR 72 3HG2 THR 72 3.442 -7.165 -11.213 569 H TRP 73 H TRP 73 -1.431 -5.444 -9.820 570 HA TRP 73 HA TRP 73 -2.426 -7.404 -7.865 571 1HB TRP 73 1HB TRP 73 -2.554 -4.873 -7.302 572 2HB TRP 73 2HB TRP 73 -3.843 -4.830 -8.489 573 HD1 TRP 73 HD TRP 73 -4.925 -7.889 -7.492 574 HE1 TRP 73 1HE TRP 73 -6.446 -8.057 -5.342 575 HE3 TRP 73 3HE TRP 73 -3.577 -3.389 -5.545 576 HZ2 TRP 73 2HZ TRP 73 -6.905 -6.327 -3.119 577 HZ3 TRP 73 3HZ TRP 73 -4.608 -2.704 -3.381 578 HH2 TRP 73 HH TRP 73 -6.219 -4.092 -2.175 579 H ASP 74 H ASP 74 -3.830 -8.895 -8.726 580 HA ASP 74 HA ASP 74 -5.175 -9.894 -10.105 581 1HB ASP 74 1HB ASP 74 -5.687 -7.474 -11.820 582 2HB ASP 74 2HB ASP 74 -6.817 -8.694 -11.267 583 H THR 75 H THR 75 -5.486 -10.340 -12.657 584 HA THR 75 HA THR 75 -3.068 -10.982 -13.760 585 HB THR 75 HB THR 75 -4.399 -11.349 -15.810 586 HG1 THR 75 1HG THR 75 -6.141 -9.536 -14.303 587 1HG2 THR 75 1HG2 THR 75 -5.806 -12.923 -14.895 588 2HG2 THR 75 2HG2 THR 75 -5.118 -12.421 -13.332 589 3HG2 THR 75 3HG2 THR 75 -6.646 -11.707 -13.903 590 H ASP 76 H ASP 76 -4.934 -7.931 -14.165 591 HA ASP 76 HA ASP 76 -2.620 -6.473 -14.554 592 1HB ASP 76 1HB ASP 76 -2.704 -7.703 -16.786 593 2HB ASP 76 2HB ASP 76 -4.233 -6.911 -17.111 594 H GLY 77 H GLY 77 -3.373 -4.573 -13.607 595 1HA GLY 77 1HA GLY 77 -5.713 -3.258 -14.666 596 2HA GLY 77 2HA GLY 77 -5.928 -3.885 -13.044 597 H TRP 78 H TRP 78 -4.783 -2.968 -11.267 598 HA TRP 78 HA TRP 78 -3.455 -0.436 -11.944 599 1HB TRP 78 1HB TRP 78 -4.621 -1.125 -9.260 600 2HB TRP 78 2HB TRP 78 -4.204 0.449 -9.908 601 HD1 TRP 78 HD TRP 78 -5.872 -0.409 -12.794 602 HE1 TRP 78 1HE TRP 78 -8.488 -0.061 -12.855 603 HE3 TRP 78 3HE TRP 78 -6.495 -0.230 -7.750 604 HZ2 TRP 78 2HZ TRP 78 -10.479 0.242 -10.833 605 HZ3 TRP 78 3HZ TRP 78 -8.807 0.095 -6.876 606 HH2 TRP 78 HH TRP 78 -10.760 0.327 -8.329 607 H SER 79 H SER 79 -1.580 0.137 -10.511 608 HA SER 79 HA SER 79 -0.384 -2.188 -9.262 609 1HB SER 79 1HB SER 79 1.803 -0.925 -10.454 610 2HB SER 79 2HB SER 79 1.075 -2.431 -10.976 611 HG SER 79 HG SER 79 0.472 -1.446 -12.767 612 H VAL 80 H VAL 80 0.933 -1.663 -7.449 613 HA VAL 80 HA VAL 80 1.127 1.211 -6.869 614 HB VAL 80 HB VAL 80 -0.578 0.513 -5.466 615 1HG1 VAL 80 1HG1 VAL 80 0.909 -2.095 -5.342 616 2HG1 VAL 80 2HG1 VAL 80 -0.206 -1.658 -4.025 617 3HG1 VAL 80 3HG1 VAL 80 -0.806 -1.776 -5.697 618 1HG2 VAL 80 1HG2 VAL 80 0.252 1.023 -3.407 619 2HG2 VAL 80 2HG2 VAL 80 1.561 -0.178 -3.512 620 3HG2 VAL 80 3HG2 VAL 80 1.714 1.380 -4.358 621 H THR 81 H THR 81 3.059 1.908 -5.875 622 HA THR 81 HA THR 81 5.109 -0.176 -5.547 623 HB THR 81 HB THR 81 5.530 2.553 -6.865 624 HG1 THR 81 1HG THR 81 4.256 1.319 -8.298 625 1HG2 THR 81 1HG2 THR 81 7.287 0.374 -6.023 626 2HG2 THR 81 2HG2 THR 81 7.308 0.525 -7.796 627 3HG2 THR 81 3HG2 THR 81 7.726 1.925 -6.778 628 H PHE 82 H PHE 82 6.264 -0.081 -3.702 629 HA PHE 82 HA PHE 82 5.655 2.192 -1.970 630 1HB PHE 82 1HB PHE 82 6.734 -0.661 -1.594 631 2HB PHE 82 2HB PHE 82 6.692 0.486 -0.270 632 HD1 PHE 82 1HD PHE 82 4.198 1.743 -0.251 633 HD2 PHE 82 2HD PHE 82 5.061 -2.226 -1.479 634 HE1 PHE 82 1HE PHE 82 1.833 1.072 0.254 635 HE2 PHE 82 2HE PHE 82 2.696 -2.897 -0.974 636 HZ PHE 82 HZ PHE 82 1.110 -1.240 -0.113 637 H HIS 83 H HIS 83 7.370 3.210 -0.720 638 HA HIS 83 HA HIS 83 10.068 2.604 -1.577 639 1HB HIS 83 1HB HIS 83 8.679 5.236 -2.083 640 2HB HIS 83 2HB HIS 83 10.421 5.131 -1.930 641 HD1 HIS 83 1HD HIS 83 11.743 4.298 -3.944 642 HD2 HIS 83 2HD HIS 83 7.600 3.790 -4.368 643 HE1 HIS 83 1HE HIS 83 11.353 3.594 -6.366 644 H LEU 84 H LEU 84 11.125 2.288 0.312 645 HA LEU 84 HA LEU 84 10.284 3.935 2.589 646 1HB LEU 84 1HB LEU 84 11.618 1.229 2.465 647 2HB LEU 84 2HB LEU 84 11.391 2.146 3.941 648 HG LEU 84 HG LEU 84 8.837 2.100 2.949 649 1HD1 LEU 84 1HD1 LEU 84 8.425 -0.303 2.338 650 2HD1 LEU 84 2HD1 LEU 84 9.278 0.659 1.106 651 3HD1 LEU 84 3HD1 LEU 84 10.184 -0.482 2.129 652 1HD2 LEU 84 1HD2 LEU 84 9.269 1.687 5.230 653 2HD2 LEU 84 2HD2 LEU 84 8.498 0.207 4.611 654 3HD2 LEU 84 3HD2 LEU 84 10.258 0.252 4.870 655 H LYS 85 H LYS 85 12.006 4.729 4.045 656 HA LYS 85 HA LYS 85 14.701 4.644 3.217 657 1HB LYS 85 1HB LYS 85 14.907 7.076 2.629 658 2HB LYS 85 2HB LYS 85 14.114 6.083 1.423 659 1HG LYS 85 1HG LYS 85 11.912 6.821 2.812 660 2HG LYS 85 2HG LYS 85 12.935 8.179 3.235 661 1HD LYS 85 1HD LYS 85 13.065 7.517 0.356 662 2HD LYS 85 2HD LYS 85 11.442 7.918 0.879 663 1HE LYS 85 1HE LYS 85 12.709 9.938 2.125 664 2HE LYS 85 2HE LYS 85 13.921 9.640 0.895 665 1HZ LYS 85 1HZ LYS 85 11.238 9.714 -0.094 666 2HZ LYS 85 2HZ LYS 85 11.753 11.130 0.536 667 3HZ LYS 85 3HZ LYS 85 12.585 10.427 -0.680 668 H GLU 86 H GLU 86 15.620 4.511 5.188 669 HA GLU 86 HA GLU 86 14.298 5.438 7.465 670 1HB GLU 86 1HB GLU 86 16.287 3.638 7.002 671 2HB GLU 86 2HB GLU 86 17.255 4.980 7.576 672 1HG GLU 86 1HG GLU 86 14.813 4.482 9.197 673 2HG GLU 86 2HG GLU 86 15.950 3.148 9.202 674 H GLU 87 H GLU 87 14.453 7.353 8.627 675 HA GLU 87 HA GLU 87 16.408 9.261 7.602 676 1HB GLU 87 1HB GLU 87 13.506 9.462 7.701 677 2HB GLU 87 2HB GLU 87 14.218 10.717 8.695 678 1HG GLU 87 1HG GLU 87 15.317 10.190 5.916 679 2HG GLU 87 2HG GLU 87 13.859 11.143 6.109 680 H GLU 88 H GLU 88 16.294 11.292 9.390 681 HA GLU 88 HA GLU 88 17.502 10.154 11.636 682 1HB GLU 88 1HB GLU 88 16.755 12.926 10.743 683 2HB GLU 88 2HB GLU 88 17.136 12.702 12.438 684 1HG GLU 88 1HG GLU 88 19.079 11.302 10.748 685 2HG GLU 88 2HG GLU 88 18.976 12.992 10.300 686 H ASN 89 H ASN 89 14.422 12.068 11.290 687 HA ASN 89 HA ASN 89 13.581 11.876 13.844 688 1HB ASN 89 1HB ASN 89 11.766 11.584 11.395 689 2HB ASN 89 2HB ASN 89 11.300 12.225 12.958 690 1HD2 ASN 89 1HD2 ASN 89 11.665 14.297 13.463 691 2HD2 ASN 89 2HD2 ASN 89 12.416 15.468 12.431 692 H GLY 90 H GLY 90 13.191 9.538 11.107 693 1HA GLY 90 1HA GLY 90 13.202 7.251 12.705 694 2HA GLY 90 2HA GLY 90 11.526 7.694 12.446 695 H THR 91 H THR 91 10.689 6.408 10.857 696 HA THR 91 HA THR 91 12.379 5.954 8.487 697 HB THR 91 HB THR 91 10.178 4.298 9.822 698 HG1 THR 91 1HG THR 91 12.565 4.424 10.516 699 1HG2 THR 91 1HG2 THR 91 11.810 3.101 7.647 700 2HG2 THR 91 2HG2 THR 91 10.069 2.930 7.973 701 3HG2 THR 91 3HG2 THR 91 10.672 4.345 7.076 702 H ILE 92 H ILE 92 11.532 6.236 6.412 703 HA ILE 92 HA ILE 92 9.088 7.860 6.410 704 HB ILE 92 HB ILE 92 11.425 7.821 4.497 705 1HG1 ILE 92 1HG1 ILE 92 11.817 8.850 6.762 706 2HG1 ILE 92 2HG1 ILE 92 12.063 9.917 5.393 707 1HG2 ILE 92 1HG2 ILE 92 8.704 8.974 4.309 708 2HG2 ILE 92 2HG2 ILE 92 10.047 10.052 3.858 709 3HG2 ILE 92 3HG2 ILE 92 9.845 8.488 3.032 710 1HD1 ILE 92 1HD1 ILE 92 9.339 9.820 6.705 711 2HD1 ILE 92 2HD1 ILE 92 10.652 10.749 7.467 712 3HD1 ILE 92 3HD1 ILE 92 10.113 11.157 5.820 713 H PHE 93 H PHE 93 7.345 7.261 5.153 714 HA PHE 93 HA PHE 93 7.733 4.831 3.554 715 1HB PHE 93 1HB PHE 93 6.506 4.647 5.850 716 2HB PHE 93 2HB PHE 93 5.270 5.693 5.180 717 HD1 PHE 93 1HD PHE 93 4.379 4.837 2.779 718 HD2 PHE 93 2HD PHE 93 6.091 2.386 5.791 719 HE1 PHE 93 1HE PHE 93 3.207 2.837 1.818 720 HE2 PHE 93 2HE PHE 93 4.918 0.386 4.830 721 HZ PHE 93 HZ PHE 93 3.490 0.635 2.855 722 H THR 94 H THR 94 7.343 5.227 1.433 723 HA THR 94 HA THR 94 5.409 7.361 0.809 724 HB THR 94 HB THR 94 7.966 6.387 -0.550 725 HG1 THR 94 1HG THR 94 8.575 8.247 0.479 726 1HG2 THR 94 1HG2 THR 94 6.461 8.718 -1.661 727 2HG2 THR 94 2HG2 THR 94 7.413 7.479 -2.514 728 3HG2 THR 94 3HG2 THR 94 5.741 7.128 -2.011 729 H ILE 95 H ILE 95 3.817 7.023 -0.748 730 HA ILE 95 HA ILE 95 3.595 4.240 -1.653 731 HB ILE 95 HB ILE 95 2.043 4.234 0.027 732 1HG1 ILE 95 1HG1 ILE 95 -0.194 4.396 -1.003 733 2HG1 ILE 95 2HG1 ILE 95 0.487 5.267 -2.363 734 1HG2 ILE 95 1HG2 ILE 95 0.406 6.288 0.244 735 2HG2 ILE 95 2HG2 ILE 95 2.017 6.308 0.999 736 3HG2 ILE 95 3HG2 ILE 95 1.746 7.156 -0.542 737 1HD1 ILE 95 1HD1 ILE 95 2.121 2.971 -2.102 738 2HD1 ILE 95 2HD1 ILE 95 0.457 2.393 -1.847 739 3HD1 ILE 95 3HD1 ILE 95 0.878 3.262 -3.343 740 H VAL 96 H VAL 96 2.723 3.943 -3.748 741 HA VAL 96 HA VAL 96 1.956 6.326 -5.210 742 HB VAL 96 HB VAL 96 4.244 4.570 -6.118 743 1HG1 VAL 96 1HG1 VAL 96 3.995 5.502 -8.129 744 2HG1 VAL 96 2HG1 VAL 96 2.500 6.276 -7.550 745 3HG1 VAL 96 3HG1 VAL 96 4.054 7.135 -7.422 746 1HG2 VAL 96 1HG2 VAL 96 5.052 5.857 -4.266 747 2HG2 VAL 96 2HG2 VAL 96 5.636 6.638 -5.755 748 3HG2 VAL 96 3HG2 VAL 96 4.259 7.333 -4.867 749 H HIS 97 H HIS 97 -0.041 5.669 -5.852 750 HA HIS 97 HA HIS 97 -0.171 3.003 -7.063 751 1HB HIS 97 1HB HIS 97 -1.340 3.135 -4.878 752 2HB HIS 97 2HB HIS 97 -2.348 4.425 -5.504 753 HD1 HIS 97 1HD HIS 97 -4.613 3.345 -5.670 754 HD2 HIS 97 2HD HIS 97 -1.584 0.978 -7.351 755 HE1 HIS 97 1HE HIS 97 -5.783 1.364 -6.775 756 H SER 98 H SER 98 -0.482 3.110 -9.224 757 HA SER 98 HA SER 98 -2.075 5.357 -10.177 758 1HB SER 98 1HB SER 98 0.314 4.159 -11.643 759 2HB SER 98 2HB SER 98 -0.626 5.551 -12.141 760 HG SER 98 HG SER 98 0.527 5.666 -9.546 761 H GLY 99 H GLY 99 -2.897 4.862 -12.542 762 1HA GLY 99 1HA GLY 99 -3.319 3.039 -14.106 763 2HA GLY 99 2HA GLY 99 -3.559 1.983 -12.728 764 H TRP 100 H TRP 100 -4.718 5.332 -13.570 765 HA TRP 100 HA TRP 100 -7.452 4.315 -13.205 766 1HB TRP 100 1HB TRP 100 -6.461 7.031 -12.332 767 2HB TRP 100 2HB TRP 100 -8.074 6.378 -12.131 768 HD1 TRP 100 HD TRP 100 -4.545 6.086 -10.627 769 HE1 TRP 100 1HE TRP 100 -4.593 4.853 -8.295 770 HE3 TRP 100 3HE TRP 100 -9.425 4.683 -10.879 771 HZ2 TRP 100 2HZ TRP 100 -6.622 3.461 -6.849 772 HZ3 TRP 100 3HZ TRP 100 -10.362 3.389 -8.965 773 HH2 TRP 100 HH TRP 100 -9.044 2.777 -6.999 774 H LYS 101 H LYS 101 -9.073 5.766 -14.391 775 HA LYS 101 HA LYS 101 -7.817 6.690 -16.876 776 1HB LYS 101 1HB LYS 101 -10.608 5.623 -16.357 777 2HB LYS 101 2HB LYS 101 -10.052 6.260 -17.891 778 1HG LYS 101 1HG LYS 101 -8.161 4.533 -17.820 779 2HG LYS 101 2HG LYS 101 -8.938 3.832 -16.414 780 1HD LYS 101 1HD LYS 101 -10.911 3.236 -17.668 781 2HD LYS 101 2HD LYS 101 -10.457 4.256 -19.018 782 1HE LYS 101 1HE LYS 101 -8.642 2.787 -19.650 783 2HE LYS 101 2HE LYS 101 -8.727 1.908 -18.137 784 1HZ LYS 101 1HZ LYS 101 -10.338 0.647 -18.937 785 2HZ LYS 101 2HZ LYS 101 -11.200 1.904 -19.521 786 3HZ LYS 101 3HZ LYS 101 -10.003 1.249 -20.417 787 H GLN 102 H GLN 102 -9.901 8.227 -17.908 788 HA GLN 102 HA GLN 102 -9.424 10.637 -16.732 789 1HB GLN 102 1HB GLN 102 -10.264 10.412 -19.021 790 2HB GLN 102 2HB GLN 102 -11.777 9.737 -18.448 791 1HG GLN 102 1HG GLN 102 -12.413 11.835 -17.391 792 2HG GLN 102 2HG GLN 102 -10.817 12.515 -17.634 793 1HE2 GLN 102 1HE2 GLN 102 -13.899 11.853 -18.984 794 2HE2 GLN 102 2HE2 GLN 102 -13.685 12.593 -20.536 795 H GLY 103 H GLY 103 -10.701 12.070 -15.386 796 1HA GLY 103 1HA GLY 103 -12.171 10.648 -13.339 797 2HA GLY 103 2HA GLY 103 -11.710 12.338 -13.355 798 H ASP 104 H ASP 104 -13.770 10.113 -15.376 799 HA ASP 104 HA ASP 104 -16.013 11.801 -14.849 800 1HB ASP 104 1HB ASP 104 -14.469 12.301 -17.157 801 2HB ASP 104 2HB ASP 104 -15.799 11.326 -17.750 802 H THR 105 H THR 105 -14.527 9.172 -16.866 803 HA THR 105 HA THR 105 -16.895 7.789 -17.425 804 HB THR 105 HB THR 105 -14.645 7.555 -18.571 805 HG1 THR 105 1HG THR 105 -15.909 5.760 -18.992 806 1HG2 THR 105 1HG2 THR 105 -13.924 6.594 -15.841 807 2HG2 THR 105 2HG2 THR 105 -13.437 5.499 -17.157 808 3HG2 THR 105 3HG2 THR 105 -12.867 7.186 -17.144 809 H LYS 106 H LYS 106 -17.303 5.459 -16.642 810 HA LYS 106 HA LYS 106 -17.111 5.508 -13.710 811 1HB LYS 106 1HB LYS 106 -19.393 5.876 -14.446 812 2HB LYS 106 2HB LYS 106 -19.331 4.474 -15.496 813 1HG LYS 106 1HG LYS 106 -18.739 3.127 -13.324 814 2HG LYS 106 2HG LYS 106 -19.306 4.540 -12.457 815 1HD LYS 106 1HD LYS 106 -21.095 3.522 -14.639 816 2HD LYS 106 2HD LYS 106 -20.947 2.501 -13.223 817 1HE LYS 106 1HE LYS 106 -22.460 3.835 -12.182 818 2HE LYS 106 2HE LYS 106 -21.257 5.109 -12.171 819 1HZ LYS 106 1HZ LYS 106 -22.263 5.123 -14.694 820 2HZ LYS 106 2HZ LYS 106 -23.577 4.883 -13.754 821 3HZ LYS 106 3HZ LYS 106 -22.622 6.184 -13.505 822 H VAL 107 H VAL 107 -16.690 3.504 -12.628 823 HA VAL 107 HA VAL 107 -15.030 1.772 -14.208 824 HB VAL 107 HB VAL 107 -15.815 1.678 -11.288 825 1HG1 VAL 107 1HG1 VAL 107 -14.912 -0.399 -11.543 826 2HG1 VAL 107 2HG1 VAL 107 -13.978 0.060 -12.987 827 3HG1 VAL 107 3HG1 VAL 107 -13.394 0.514 -11.368 828 1HG2 VAL 107 1HG2 VAL 107 -14.611 3.785 -12.228 829 2HG2 VAL 107 2HG2 VAL 107 -13.970 3.002 -10.764 830 3HG2 VAL 107 3HG2 VAL 107 -13.189 2.719 -12.339 831 H GLU 108 H GLU 108 -15.899 0.190 -15.441 832 HA GLU 108 HA GLU 108 -18.514 -0.650 -15.163 833 1HB GLU 108 1HB GLU 108 -17.911 -2.396 -16.804 834 2HB GLU 108 2HB GLU 108 -17.232 -0.847 -17.261 835 1HG GLU 108 1HG GLU 108 -15.242 -1.982 -15.623 836 2HG GLU 108 2HG GLU 108 -15.853 -3.348 -16.534 837 H LYS 109 H LYS 109 -15.666 -1.467 -13.362 838 HA LYS 109 HA LYS 109 -16.921 -3.937 -12.407 839 1HB LYS 109 1HB LYS 109 -14.468 -3.754 -13.349 840 2HB LYS 109 2HB LYS 109 -14.103 -3.128 -11.753 841 1HG LYS 109 1HG LYS 109 -15.240 -5.177 -10.759 842 2HG LYS 109 2HG LYS 109 -15.417 -5.812 -12.383 843 1HD LYS 109 1HD LYS 109 -12.689 -5.036 -12.184 844 2HD LYS 109 2HD LYS 109 -13.058 -5.806 -10.654 845 1HE LYS 109 1HE LYS 109 -13.739 -7.854 -11.716 846 2HE LYS 109 2HE LYS 109 -13.869 -7.093 -13.290 847 1HZ LYS 109 1HZ LYS 109 -11.757 -8.437 -12.531 848 2HZ LYS 109 2HZ LYS 109 -11.664 -7.201 -13.594 849 3HZ LYS 109 3HZ LYS 109 -11.283 -6.958 -12.025 850 H ALA 110 H ALA 110 -18.115 -1.467 -11.686 851 HA ALA 110 HA ALA 110 -18.508 -1.707 -9.045 852 1HB ALA 110 1HB ALA 110 -15.918 -0.342 -9.604 853 2HB ALA 110 2HB ALA 110 -16.966 0.428 -8.389 854 3HB ALA 110 3HB ALA 110 -16.443 -1.259 -8.172 855 H GLY 111 H GLY 111 -20.497 -0.793 -9.111 856 1HA GLY 111 1HA GLY 111 -21.533 0.912 -10.915 857 2HA GLY 111 2HA GLY 111 -22.037 0.862 -9.237 858 H ALA 112 H ALA 112 -19.381 1.751 -8.173 859 HA ALA 112 HA ALA 112 -19.872 4.524 -8.256 860 1HB ALA 112 1HB ALA 112 -17.828 2.669 -7.070 861 2HB ALA 112 2HB ALA 112 -17.462 4.410 -7.128 862 3HB ALA 112 3HB ALA 112 -18.910 3.833 -6.269 863 H GLU 113 H GLU 113 -18.367 6.215 -9.022 864 HA GLU 113 HA GLU 113 -17.442 5.514 -11.633 865 1HB GLU 113 1HB GLU 113 -17.501 8.161 -10.120 866 2HB GLU 113 2HB GLU 113 -16.956 8.001 -11.778 867 1HG GLU 113 1HG GLU 113 -19.088 7.946 -12.563 868 2HG GLU 113 2HG GLU 113 -19.535 6.670 -11.447 869 H SER 114 H SER 114 -15.226 6.224 -12.413 870 HA SER 114 HA SER 114 -13.285 5.044 -10.866 871 1HB SER 114 1HB SER 114 -11.681 6.059 -12.502 872 2HB SER 114 2HB SER 114 -13.038 5.264 -13.275 873 HG SER 114 HG SER 114 -14.001 7.274 -13.716 874 H ALA 115 H ALA 115 -14.474 8.396 -11.032 875 HA ALA 115 HA ALA 115 -12.260 9.525 -9.643 876 1HB ALA 115 1HB ALA 115 -13.677 10.821 -11.181 877 2HB ALA 115 2HB ALA 115 -15.091 10.532 -10.138 878 3HB ALA 115 3HB ALA 115 -13.732 11.515 -9.543 879 H VAL 116 H VAL 116 -15.615 8.481 -8.758 880 HA VAL 116 HA VAL 116 -15.475 9.240 -6.090 881 HB VAL 116 HB VAL 116 -16.995 6.981 -7.409 882 1HG1 VAL 116 1HG1 VAL 116 -18.429 6.917 -5.542 883 2HG1 VAL 116 2HG1 VAL 116 -16.791 6.977 -4.846 884 3HG1 VAL 116 3HG1 VAL 116 -17.795 8.447 -4.888 885 1HG2 VAL 116 1HG2 VAL 116 -18.502 9.390 -6.762 886 2HG2 VAL 116 2HG2 VAL 116 -17.163 9.727 -7.886 887 3HG2 VAL 116 3HG2 VAL 116 -18.381 8.496 -8.296 888 H VAL 117 H VAL 117 -14.619 6.126 -7.727 889 HA VAL 117 HA VAL 117 -13.882 4.827 -5.344 890 HB VAL 117 HB VAL 117 -13.397 4.396 -8.277 891 1HG1 VAL 117 1HG1 VAL 117 -11.352 3.628 -7.199 892 2HG1 VAL 117 2HG1 VAL 117 -12.296 2.694 -6.014 893 3HG1 VAL 117 3HG1 VAL 117 -12.320 2.233 -7.733 894 1HG2 VAL 117 1HG2 VAL 117 -14.575 2.161 -6.993 895 2HG2 VAL 117 2HG2 VAL 117 -15.383 3.610 -6.345 896 3HG2 VAL 117 3HG2 VAL 117 -15.344 3.323 -8.102 897 H HIS 118 H HIS 118 -12.184 6.962 -7.658 898 HA HIS 118 HA HIS 118 -9.597 6.423 -6.842 899 1HB HIS 118 1HB HIS 118 -9.534 7.678 -8.711 900 2HB HIS 118 2HB HIS 118 -11.015 8.533 -8.327 901 HD1 HIS 118 1HD HIS 118 -10.784 10.904 -7.499 902 HD2 HIS 118 2HD HIS 118 -7.183 8.763 -7.275 903 HE1 HIS 118 1HE HIS 118 -8.990 12.590 -6.828 904 H GLU 119 H GLU 119 -11.911 8.976 -5.690 905 HA GLU 119 HA GLU 119 -10.177 9.949 -3.753 906 1HB GLU 119 1HB GLU 119 -13.118 10.161 -4.330 907 2HB GLU 119 2HB GLU 119 -12.577 10.660 -2.739 908 1HG GLU 119 1HG GLU 119 -10.774 12.072 -3.956 909 2HG GLU 119 2HG GLU 119 -11.662 11.751 -5.433 910 H ARG 120 H ARG 120 -12.881 7.542 -3.594 911 HA ARG 120 HA ARG 120 -12.883 7.134 -0.921 912 1HB ARG 120 1HB ARG 120 -13.702 5.633 -3.331 913 2HB ARG 120 2HB ARG 120 -13.280 4.563 -2.009 914 1HG ARG 120 1HG ARG 120 -14.785 6.469 -0.684 915 2HG ARG 120 2HG ARG 120 -15.563 6.463 -2.254 916 1HD ARG 120 1HD ARG 120 -16.684 4.795 -0.898 917 2HD ARG 120 2HD ARG 120 -15.740 3.931 -2.094 918 HE ARG 120 HE ARG 120 -14.024 4.203 0.103 919 1HH1 ARG 120 2HH2 ARG 120 -17.191 2.778 -0.467 920 2HH1 ARG 120 1HH2 ARG 120 -17.008 1.568 0.759 921 1HH2 ARG 120 2HH1 ARG 120 -13.782 2.607 1.720 922 2HH2 ARG 120 1HH1 ARG 120 -15.056 1.470 2.011 923 H MET 121 H MET 121 -10.962 5.334 -3.438 924 HA MET 121 HA MET 121 -9.594 3.803 -1.531 925 1HB MET 121 1HB MET 121 -9.447 4.372 -4.485 926 2HB MET 121 2HB MET 121 -7.975 3.751 -3.763 927 1HG MET 121 1HG MET 121 -10.613 2.378 -3.166 928 2HG MET 121 2HG MET 121 -9.811 2.069 -4.693 929 1HE MET 121 1HE MET 121 -7.338 0.356 -4.706 930 2HE MET 121 2HE MET 121 -8.151 -0.915 -3.761 931 3HE MET 121 3HE MET 121 -9.094 0.115 -4.864 932 H ASP 122 H ASP 122 -8.744 6.775 -3.419 933 HA ASP 122 HA ASP 122 -6.153 7.007 -2.692 934 1HB ASP 122 1HB ASP 122 -7.114 8.551 -4.273 935 2HB ASP 122 2HB ASP 122 -8.327 9.089 -3.128 936 H ARG 123 H ARG 123 -9.088 8.405 -1.036 937 HA ARG 123 HA ARG 123 -7.754 9.560 1.049 938 1HB ARG 123 1HB ARG 123 -10.563 8.525 0.630 939 2HB ARG 123 2HB ARG 123 -10.104 9.004 2.252 940 1HG ARG 123 1HG ARG 123 -9.145 11.161 0.904 941 2HG ARG 123 2HG ARG 123 -10.409 10.693 -0.216 942 1HD ARG 123 1HD ARG 123 -12.076 10.728 1.661 943 2HD ARG 123 2HD ARG 123 -10.810 11.213 2.771 944 HE ARG 123 HE ARG 123 -12.197 12.932 0.903 945 1HH1 ARG 123 2HH2 ARG 123 -9.060 12.431 2.418 946 2HH1 ARG 123 1HH2 ARG 123 -8.586 14.091 2.279 947 1HH2 ARG 123 2HH1 ARG 123 -11.571 15.122 0.720 948 2HH2 ARG 123 1HH1 ARG 123 -10.024 15.632 1.307 949 H GLY 124 H GLY 124 -9.484 6.351 0.976 950 1HA GLY 124 1HA GLY 124 -8.816 5.470 3.508 951 2HA GLY 124 2HA GLY 124 -9.145 4.449 2.123 952 H TRP 125 H TRP 125 -6.885 5.529 0.486 953 HA TRP 125 HA TRP 125 -4.925 3.705 1.259 954 1HB TRP 125 1HB TRP 125 -5.326 5.708 -0.824 955 2HB TRP 125 2HB TRP 125 -3.647 5.572 -0.340 956 HD1 TRP 125 HD TRP 125 -6.203 3.832 -2.460 957 HE1 TRP 125 1HE TRP 125 -5.305 1.582 -3.505 958 HE3 TRP 125 3HE TRP 125 -2.021 3.551 0.419 959 HZ2 TRP 125 2HZ TRP 125 -2.998 -0.026 -3.022 960 HZ3 TRP 125 3HZ TRP 125 -0.499 1.609 0.069 961 HH2 TRP 125 HH TRP 125 -0.931 -0.141 -1.582 962 H HIS 126 H HIS 126 -5.087 7.329 1.523 963 HA HIS 126 HA HIS 126 -2.673 7.618 2.845 964 1HB HIS 126 1HB HIS 126 -4.283 9.346 1.747 965 2HB HIS 126 2HB HIS 126 -5.036 9.421 3.328 966 HD1 HIS 126 1HD HIS 126 -1.292 9.001 3.018 967 HD2 HIS 126 2HD HIS 126 -4.087 12.023 3.823 968 HE1 HIS 126 1HE HIS 126 0.044 11.002 3.867 969 H ASP 127 H ASP 127 -6.043 7.421 4.192 970 HA ASP 127 HA ASP 127 -5.379 7.599 6.811 971 1HB ASP 127 1HB ASP 127 -7.517 5.861 5.491 972 2HB ASP 127 2HB ASP 127 -7.472 6.208 7.208 973 H LEU 128 H LEU 128 -5.280 4.798 4.553 974 HA LEU 128 HA LEU 128 -4.873 2.803 6.474 975 1HB LEU 128 1HB LEU 128 -5.625 2.256 4.286 976 2HB LEU 128 2HB LEU 128 -4.232 3.010 3.537 977 HG LEU 128 HG LEU 128 -2.821 1.239 4.761 978 1HD1 LEU 128 1HD1 LEU 128 -3.987 0.073 6.285 979 2HD1 LEU 128 2HD1 LEU 128 -5.549 0.395 5.496 980 3HD1 LEU 128 3HD1 LEU 128 -4.494 -0.902 4.885 981 1HD2 LEU 128 1HD2 LEU 128 -3.094 1.209 2.372 982 2HD2 LEU 128 2HD2 LEU 128 -3.270 -0.450 2.992 983 3HD2 LEU 128 3HD2 LEU 128 -4.712 0.482 2.519 984 H VAL 129 H VAL 129 -2.534 4.668 4.416 985 HA VAL 129 HA VAL 129 -0.369 3.625 6.049 986 HB VAL 129 HB VAL 129 -0.227 3.647 3.588 987 1HG1 VAL 129 1HG1 VAL 129 -1.405 6.110 3.704 988 2HG1 VAL 129 2HG1 VAL 129 0.297 6.550 3.425 989 3HG1 VAL 129 3HG1 VAL 129 -0.540 5.465 2.289 990 1HG2 VAL 129 1HG2 VAL 129 1.938 3.595 4.169 991 2HG2 VAL 129 2HG2 VAL 129 1.972 5.325 3.751 992 3HG2 VAL 129 3HG2 VAL 129 1.716 4.822 5.439 993 H ASN 130 H ASN 130 -2.257 5.235 7.454 994 HA ASN 130 HA ASN 130 -0.640 7.632 7.842 995 1HB ASN 130 1HB ASN 130 -3.494 7.324 7.389 996 2HB ASN 130 2HB ASN 130 -3.263 7.950 9.010 997 1HD2 ASN 130 1HD2 ASN 130 -1.981 8.361 5.712 998 2HD2 ASN 130 2HD2 ASN 130 -1.878 10.090 5.730 999 H GLU 131 H GLU 131 -3.086 5.434 9.431 1000 HA GLU 131 HA GLU 131 -1.395 5.514 11.803 1001 1HB GLU 131 1HB GLU 131 -3.473 5.424 13.194 1002 2HB GLU 131 2HB GLU 131 -3.340 6.905 12.267 1003 1HG GLU 131 1HG GLU 131 -5.501 6.401 11.664 1004 2HG GLU 131 2HG GLU 131 -4.713 5.403 10.459 1005 H ARG 132 H ARG 132 -3.881 3.767 9.861 1006 HA ARG 132 HA ARG 132 -4.023 1.471 11.256 1007 1HB ARG 132 1HB ARG 132 -3.902 1.754 8.210 1008 2HB ARG 132 2HB ARG 132 -4.563 0.372 9.060 1009 1HG ARG 132 1HG ARG 132 -5.677 3.005 9.913 1010 2HG ARG 132 2HG ARG 132 -6.038 2.562 8.257 1011 1HD ARG 132 1HD ARG 132 -6.610 0.183 9.416 1012 2HD ARG 132 2HD ARG 132 -6.878 1.206 10.813 1013 HE ARG 132 HE ARG 132 -8.184 2.358 8.521 1014 1HH1 ARG 132 2HH2 ARG 132 -8.482 -0.314 10.791 1015 2HH1 ARG 132 1HH2 ARG 132 -10.202 -0.427 10.630 1016 1HH2 ARG 132 2HH1 ARG 132 -10.455 2.210 8.309 1017 2HH2 ARG 132 1HH1 ARG 132 -11.332 1.018 9.208 1018 H LEU 133 H LEU 133 -1.427 2.617 9.069 1019 HA LEU 133 HA LEU 133 -0.053 0.075 9.224 1020 1HB LEU 133 1HB LEU 133 -0.023 1.126 7.110 1021 2HB LEU 133 2HB LEU 133 0.450 2.671 7.787 1022 HG LEU 133 HG LEU 133 2.658 1.691 8.406 1023 1HD1 LEU 133 1HD1 LEU 133 1.410 -0.753 7.217 1024 2HD1 LEU 133 2HD1 LEU 133 3.155 -0.482 6.993 1025 3HD1 LEU 133 3HD1 LEU 133 2.473 -0.578 8.634 1026 1HD2 LEU 133 1HD2 LEU 133 3.490 2.386 6.453 1027 2HD2 LEU 133 2HD2 LEU 133 2.611 1.147 5.526 1028 3HD2 LEU 133 3HD2 LEU 133 1.795 2.662 5.983 1029 H ARG 134 H ARG 134 0.244 3.461 10.422 1030 HA ARG 134 HA ARG 134 2.693 3.290 11.543 1031 1HB ARG 134 1HB ARG 134 1.027 5.283 11.438 1032 2HB ARG 134 2HB ARG 134 0.333 4.653 12.919 1033 1HG ARG 134 1HG ARG 134 3.077 4.652 13.475 1034 2HG ARG 134 2HG ARG 134 2.881 6.098 12.505 1035 1HD ARG 134 1HD ARG 134 0.728 5.811 14.505 1036 2HD ARG 134 2HD ARG 134 2.314 5.856 15.249 1037 HE ARG 134 HE ARG 134 2.600 8.083 14.513 1038 1HH1 ARG 134 2HH2 ARG 134 -0.266 6.667 13.040 1039 2HH1 ARG 134 1HH2 ARG 134 -0.853 8.177 12.428 1040 1HH2 ARG 134 2HH1 ARG 134 1.825 10.075 13.706 1041 2HH2 ARG 134 1HH1 ARG 134 0.344 10.129 12.809 1042 H GLN 135 H GLN 135 -0.422 1.961 12.687 1043 HA GLN 135 HA GLN 135 0.449 1.418 15.293 1044 1HB GLN 135 1HB GLN 135 -1.948 1.105 13.727 1045 2HB GLN 135 2HB GLN 135 -1.602 -0.437 14.484 1046 1HG GLN 135 1HG GLN 135 -1.099 1.360 16.557 1047 2HG GLN 135 2HG GLN 135 -2.437 2.125 15.722 1048 1HE2 GLN 135 1HE2 GLN 135 -2.886 1.323 18.200 1049 2HE2 GLN 135 2HE2 GLN 135 -3.886 -0.089 18.280 1050 H ILE 136 H ILE 136 0.484 -0.398 12.195 1051 HA ILE 136 HA ILE 136 1.055 -2.910 13.102 1052 HB ILE 136 HB ILE 136 2.087 -1.468 10.659 1053 1HG1 ILE 136 1HG1 ILE 136 -0.262 -1.412 10.576 1054 2HG1 ILE 136 2HG1 ILE 136 0.201 -2.768 9.566 1055 1HG2 ILE 136 1HG2 ILE 136 3.381 -3.539 11.316 1056 2HG2 ILE 136 2HG2 ILE 136 1.881 -4.459 11.045 1057 3HG2 ILE 136 3HG2 ILE 136 2.632 -3.564 9.702 1058 1HD1 ILE 136 1HD1 ILE 136 -0.109 -4.239 11.690 1059 2HD1 ILE 136 2HD1 ILE 136 -0.953 -2.831 12.376 1060 3HD1 ILE 136 3HD1 ILE 136 -1.577 -3.611 10.903 1061 H VAL 137 H VAL 137 3.011 0.005 13.254 1062 HA VAL 137 HA VAL 137 5.306 -1.627 14.081 1063 HB VAL 137 HB VAL 137 6.631 0.392 13.636 1064 1HG1 VAL 137 1HG1 VAL 137 6.936 -0.455 11.597 1065 2HG1 VAL 137 2HG1 VAL 137 5.386 -1.319 11.740 1066 3HG1 VAL 137 3HG1 VAL 137 5.435 0.311 11.025 1067 1HG2 VAL 137 1HG2 VAL 137 4.718 1.999 14.053 1068 2HG2 VAL 137 2HG2 VAL 137 5.728 2.357 12.632 1069 3HG2 VAL 137 3HG2 VAL 137 4.131 1.600 12.421 1070 H GLU 138 H GLU 138 2.904 0.807 15.015 1071 HA GLU 138 HA GLU 138 4.300 1.322 17.474 1072 1HB GLU 138 1HB GLU 138 1.997 2.506 15.996 1073 2HB GLU 138 2HB GLU 138 1.873 2.580 17.742 1074 1HG GLU 138 1HG GLU 138 4.580 3.288 16.857 1075 2HG GLU 138 2HG GLU 138 3.383 4.298 16.071 Start of MODEL 8 1 1H MET 1 H MET 1 -10.860 19.061 -15.873 2 HA MET 1 HA MET 1 -9.764 21.447 -14.604 3 1HB MET 1 1HB MET 1 -12.179 20.686 -13.902 4 2HB MET 1 2HB MET 1 -11.400 19.305 -13.156 5 1HG MET 1 1HG MET 1 -11.585 20.914 -11.397 6 2HG MET 1 2HG MET 1 -9.906 20.996 -11.891 7 1HE MET 1 1HE MET 1 -10.165 24.607 -11.219 8 2HE MET 1 2HE MET 1 -9.706 22.971 -10.689 9 3HE MET 1 3HE MET 1 -8.925 23.697 -12.115 10 H THR 2 H THR 2 -8.105 19.638 -15.913 11 HA THR 2 HA THR 2 -6.302 18.373 -15.613 12 HB THR 2 HB THR 2 -6.736 19.374 -12.758 13 HG1 THR 2 1HG THR 2 -6.142 20.867 -14.517 14 1HG2 THR 2 1HG2 THR 2 -4.160 18.846 -12.678 15 2HG2 THR 2 2HG2 THR 2 -5.293 17.509 -12.372 16 3HG2 THR 2 3HG2 THR 2 -4.519 17.671 -13.966 17 H ARG 3 H ARG 3 -6.124 16.231 -15.828 18 HA ARG 3 HA ARG 3 -8.200 14.599 -15.060 19 1HB ARG 3 1HB ARG 3 -6.503 12.719 -15.606 20 2HB ARG 3 2HB ARG 3 -6.829 13.873 -16.884 21 1HG ARG 3 1HG ARG 3 -4.605 14.623 -15.032 22 2HG ARG 3 2HG ARG 3 -4.306 13.206 -16.019 23 1HD ARG 3 1HD ARG 3 -5.500 15.161 -17.747 24 2HD ARG 3 2HD ARG 3 -4.282 16.003 -16.809 25 HE ARG 3 HE ARG 3 -3.179 13.517 -17.714 26 1HH1 ARG 3 2HH2 ARG 3 -4.188 16.646 -18.969 27 2HH1 ARG 3 1HH2 ARG 3 -3.088 16.607 -20.307 28 1HH2 ARG 3 2HH1 ARG 3 -1.728 13.466 -19.478 29 2HH2 ARG 3 1HH1 ARG 3 -1.679 14.786 -20.598 30 H LEU 4 H LEU 4 -7.652 12.398 -13.744 31 HA LEU 4 HA LEU 4 -7.021 13.286 -11.095 32 1HB LEU 4 1HB LEU 4 -7.988 10.725 -12.328 33 2HB LEU 4 2HB LEU 4 -7.450 10.768 -10.661 34 HG LEU 4 HG LEU 4 -9.616 12.585 -11.742 35 1HD1 LEU 4 1HD1 LEU 4 -11.262 11.063 -10.818 36 2HD1 LEU 4 2HD1 LEU 4 -10.266 10.223 -12.031 37 3HD1 LEU 4 3HD1 LEU 4 -9.978 9.945 -10.297 38 1HD2 LEU 4 1HD2 LEU 4 -9.005 11.785 -8.887 39 2HD2 LEU 4 2HD2 LEU 4 -8.415 13.276 -9.659 40 3HD2 LEU 4 3HD2 LEU 4 -10.163 13.012 -9.454 41 HA PRO 5 HA PRO 5 -2.808 12.228 -11.566 42 1HB PRO 5 1HB PRO 5 -1.937 13.265 -9.192 43 2HB PRO 5 2HB PRO 5 -2.102 14.220 -10.651 44 1HG PRO 5 1HG PRO 5 -3.840 14.174 -8.261 45 2HG PRO 5 2HG PRO 5 -3.734 15.391 -9.517 46 1HD PRO 5 1HD PRO 5 -5.788 13.412 -9.214 47 2HD PRO 5 2HD PRO 5 -5.618 14.553 -10.534 48 H ASP 6 H ASP 6 -1.031 11.104 -10.213 49 HA ASP 6 HA ASP 6 -2.148 8.646 -9.549 50 1HB ASP 6 1HB ASP 6 0.245 8.330 -8.488 51 2HB ASP 6 2HB ASP 6 0.089 8.509 -10.224 52 H ILE 7 H ILE 7 -2.373 7.639 -7.419 53 HA ILE 7 HA ILE 7 -2.883 9.560 -5.326 54 HB ILE 7 HB ILE 7 -3.397 6.616 -5.674 55 1HG1 ILE 7 1HG1 ILE 7 -5.399 8.817 -5.177 56 2HG1 ILE 7 2HG1 ILE 7 -4.802 8.480 -6.790 57 1HG2 ILE 7 1HG2 ILE 7 -3.281 8.194 -3.184 58 2HG2 ILE 7 2HG2 ILE 7 -4.771 7.249 -3.416 59 3HG2 ILE 7 3HG2 ILE 7 -3.188 6.435 -3.445 60 1HD1 ILE 7 1HD1 ILE 7 -6.814 7.056 -5.287 61 2HD1 ILE 7 2HD1 ILE 7 -6.278 6.776 -6.961 62 3HD1 ILE 7 3HD1 ILE 7 -5.458 5.950 -5.615 63 H LYS 8 H LYS 8 -0.367 10.011 -5.570 64 HA LYS 8 HA LYS 8 1.175 8.073 -4.055 65 1HB LYS 8 1HB LYS 8 2.346 8.834 -5.931 66 2HB LYS 8 2HB LYS 8 1.830 10.495 -5.717 67 1HG LYS 8 1HG LYS 8 3.212 10.694 -3.667 68 2HG LYS 8 2HG LYS 8 3.673 9.007 -3.786 69 1HD LYS 8 1HD LYS 8 5.307 9.470 -5.298 70 2HD LYS 8 2HD LYS 8 4.204 10.376 -6.314 71 1HE LYS 8 1HE LYS 8 4.933 11.790 -3.805 72 2HE LYS 8 2HE LYS 8 6.303 11.470 -4.850 73 1HZ LYS 8 1HZ LYS 8 4.292 12.335 -6.491 74 2HZ LYS 8 2HZ LYS 8 4.235 13.330 -5.197 75 3HZ LYS 8 3HZ LYS 8 5.622 13.171 -6.045 76 H LYS 9 H LYS 9 1.449 8.197 -1.894 77 HA LYS 9 HA LYS 9 1.116 10.838 -0.667 78 1HB LYS 9 1HB LYS 9 -0.090 8.250 0.358 79 2HB LYS 9 2HB LYS 9 -0.124 9.793 1.187 80 1HG LYS 9 1HG LYS 9 -1.100 9.881 -1.630 81 2HG LYS 9 2HG LYS 9 -2.079 8.907 -0.551 82 1HD LYS 9 1HD LYS 9 -2.153 10.867 1.062 83 2HD LYS 9 2HD LYS 9 -1.298 11.830 -0.127 84 1HE LYS 9 1HE LYS 9 -3.360 10.791 -1.660 85 2HE LYS 9 2HE LYS 9 -4.142 10.945 -0.099 86 1HZ LYS 9 1HZ LYS 9 -2.746 13.249 -0.390 87 2HZ LYS 9 2HZ LYS 9 -3.337 12.975 -1.888 88 3HZ LYS 9 3HZ LYS 9 -4.354 13.066 -0.613 89 H GLU 10 H GLU 10 1.991 10.725 1.715 90 HA GLU 10 HA GLU 10 4.134 8.813 1.930 91 1HB GLU 10 1HB GLU 10 5.144 10.719 0.699 92 2HB GLU 10 2HB GLU 10 4.627 11.823 1.957 93 1HG GLU 10 1HG GLU 10 6.232 9.448 2.850 94 2HG GLU 10 2HG GLU 10 7.090 10.660 1.920 95 H VAL 11 H VAL 11 4.748 8.405 4.108 96 HA VAL 11 HA VAL 11 3.489 10.081 6.137 97 HB VAL 11 HB VAL 11 2.788 7.962 7.314 98 1HG1 VAL 11 1HG1 VAL 11 1.108 7.933 4.908 99 2HG1 VAL 11 2HG1 VAL 11 0.705 8.371 6.585 100 3HG1 VAL 11 3HG1 VAL 11 1.454 9.573 5.506 101 1HG2 VAL 11 1HG2 VAL 11 3.838 6.818 4.802 102 2HG2 VAL 11 2HG2 VAL 11 3.624 6.074 6.405 103 3HG2 VAL 11 3HG2 VAL 11 2.241 6.204 5.291 104 H ARG 12 H ARG 12 4.485 9.793 8.286 105 HA ARG 12 HA ARG 12 7.102 8.543 8.050 106 1HB ARG 12 1HB ARG 12 7.403 10.983 7.944 107 2HB ARG 12 2HB ARG 12 6.392 11.215 9.357 108 1HG ARG 12 1HG ARG 12 8.080 9.776 10.663 109 2HG ARG 12 2HG ARG 12 9.124 9.862 9.258 110 1HD ARG 12 1HD ARG 12 9.244 12.307 9.409 111 2HD ARG 12 2HD ARG 12 8.022 12.339 10.665 112 HE ARG 12 HE ARG 12 10.367 10.697 11.330 113 1HH1 ARG 12 2HH2 ARG 12 8.935 13.908 11.466 114 2HH1 ARG 12 1HH2 ARG 12 9.924 14.433 12.788 115 1HH2 ARG 12 2HH1 ARG 12 11.673 11.388 13.073 116 2HH2 ARG 12 1HH1 ARG 12 11.492 12.990 13.708 117 H PHE 13 H PHE 13 7.501 7.050 9.670 118 HA PHE 13 HA PHE 13 5.803 7.243 12.058 119 1HB PHE 13 1HB PHE 13 7.054 4.788 10.688 120 2HB PHE 13 2HB PHE 13 5.937 4.738 12.038 121 HD1 PHE 13 1HD PHE 13 5.864 3.586 9.063 122 HD2 PHE 13 2HD PHE 13 3.959 6.800 11.074 123 HE1 PHE 13 1HE PHE 13 3.936 3.445 7.462 124 HE2 PHE 13 2HE PHE 13 2.031 6.660 9.473 125 HZ PHE 13 HZ PHE 13 2.043 4.984 7.686 126 H ASN 14 H ASN 14 6.771 6.867 14.089 127 HA ASN 14 HA ASN 14 9.615 7.221 14.044 128 1HB ASN 14 1HB ASN 14 7.540 8.079 15.731 129 2HB ASN 14 2HB ASN 14 8.309 6.824 16.683 130 1HD2 ASN 14 1HD2 ASN 14 8.214 9.772 16.946 131 2HD2 ASN 14 2HD2 ASN 14 9.855 10.313 17.060 132 H ALA 15 H ALA 15 10.644 5.219 13.612 133 HA ALA 15 HA ALA 15 10.893 3.335 15.596 134 1HB ALA 15 1HB ALA 15 9.514 1.639 13.785 135 2HB ALA 15 2HB ALA 15 9.054 2.054 15.454 136 3HB ALA 15 3HB ALA 15 8.440 3.024 14.093 137 HA PRO 16 HA PRO 16 13.914 1.996 12.796 138 1HB PRO 16 1HB PRO 16 14.160 -0.698 13.184 139 2HB PRO 16 2HB PRO 16 14.841 0.493 14.274 140 1HG PRO 16 1HG PRO 16 12.445 -1.200 14.641 141 2HG PRO 16 2HG PRO 16 13.374 -0.337 15.850 142 1HD PRO 16 1HD PRO 16 10.833 0.434 14.766 143 2HD PRO 16 2HD PRO 16 11.816 1.354 15.887 144 H ILE 17 H ILE 17 14.257 1.728 10.658 145 HA ILE 17 HA ILE 17 11.995 1.085 9.127 146 HB ILE 17 HB ILE 17 13.764 2.612 8.421 147 1HG1 ILE 17 1HG1 ILE 17 13.572 0.287 6.493 148 2HG1 ILE 17 2HG1 ILE 17 12.239 1.379 6.809 149 1HG2 ILE 17 1HG2 ILE 17 15.664 0.652 7.450 150 2HG2 ILE 17 2HG2 ILE 17 15.928 2.113 8.432 151 3HG2 ILE 17 3HG2 ILE 17 15.504 0.575 9.221 152 1HD1 ILE 17 1HD1 ILE 17 14.888 2.642 6.175 153 2HD1 ILE 17 2HD1 ILE 17 14.030 1.831 4.842 154 3HD1 ILE 17 3HD1 ILE 17 13.246 3.162 5.727 155 H GLU 18 H GLU 18 14.548 -0.836 10.601 156 HA GLU 18 HA GLU 18 14.479 -3.003 8.896 157 1HB GLU 18 1HB GLU 18 15.798 -2.308 11.254 158 2HB GLU 18 2HB GLU 18 14.834 -3.684 11.750 159 1HG GLU 18 1HG GLU 18 16.267 -3.955 9.129 160 2HG GLU 18 2HG GLU 18 17.278 -3.921 10.560 161 H LYS 19 H LYS 19 12.231 -1.894 11.396 162 HA LYS 19 HA LYS 19 10.869 -4.433 11.508 163 1HB LYS 19 1HB LYS 19 11.200 -2.775 13.443 164 2HB LYS 19 2HB LYS 19 9.945 -1.810 12.691 165 1HG LYS 19 1HG LYS 19 8.696 -4.226 12.638 166 2HG LYS 19 2HG LYS 19 9.741 -4.498 14.018 167 1HD LYS 19 1HD LYS 19 8.580 -3.038 15.349 168 2HD LYS 19 2HD LYS 19 8.421 -1.846 14.075 169 1HE LYS 19 1HE LYS 19 6.289 -2.503 13.668 170 2HE LYS 19 2HE LYS 19 6.819 -4.143 13.352 171 1HZ LYS 19 1HZ LYS 19 6.653 -3.262 16.114 172 2HZ LYS 19 2HZ LYS 19 5.265 -3.615 15.329 173 3HZ LYS 19 3HZ LYS 19 6.426 -4.753 15.487 174 H VAL 20 H VAL 20 10.066 -1.051 10.440 175 HA VAL 20 HA VAL 20 7.625 -1.647 9.319 176 HB VAL 20 HB VAL 20 9.642 0.377 8.333 177 1HG1 VAL 20 1HG1 VAL 20 7.613 0.034 6.922 178 2HG1 VAL 20 2HG1 VAL 20 6.607 0.472 8.324 179 3HG1 VAL 20 3HG1 VAL 20 7.724 1.667 7.621 180 1HG2 VAL 20 1HG2 VAL 20 7.970 1.732 10.042 181 2HG2 VAL 20 2HG2 VAL 20 8.182 0.178 10.884 182 3HG2 VAL 20 3HG2 VAL 20 9.605 1.154 10.446 183 H TRP 21 H TRP 21 10.946 -2.029 8.015 184 HA TRP 21 HA TRP 21 10.201 -2.561 5.373 185 1HB TRP 21 1HB TRP 21 12.455 -1.973 5.963 186 2HB TRP 21 2HB TRP 21 12.614 -3.382 6.993 187 HD1 TRP 21 HD TRP 21 14.142 -5.117 5.795 188 HE1 TRP 21 1HE TRP 21 14.543 -6.068 3.366 189 HE3 TRP 21 3HE TRP 21 10.728 -2.132 3.494 190 HZ2 TRP 21 2HZ TRP 21 13.413 -5.478 0.812 191 HZ3 TRP 21 3HZ TRP 21 10.439 -2.383 1.030 192 HH2 TRP 21 HH TRP 21 11.714 -3.986 -0.304 193 H GLU 22 H GLU 22 10.390 -4.531 8.363 194 HA GLU 22 HA GLU 22 9.992 -6.963 6.965 195 1HB GLU 22 1HB GLU 22 10.609 -6.116 9.665 196 2HB GLU 22 2HB GLU 22 9.273 -7.249 9.722 197 1HG GLU 22 1HG GLU 22 10.663 -8.763 8.155 198 2HG GLU 22 2HG GLU 22 12.014 -7.690 8.464 199 H ALA 23 H ALA 23 7.965 -4.399 8.252 200 HA ALA 23 HA ALA 23 5.610 -6.063 8.369 201 1HB ALA 23 1HB ALA 23 4.594 -4.209 9.354 202 2HB ALA 23 2HB ALA 23 6.293 -3.981 9.832 203 3HB ALA 23 3HB ALA 23 5.618 -3.049 8.474 204 H VAL 24 H VAL 24 7.468 -4.527 5.952 205 HA VAL 24 HA VAL 24 5.105 -4.414 4.206 206 HB VAL 24 HB VAL 24 6.107 -2.626 3.011 207 1HG1 VAL 24 1HG1 VAL 24 4.988 -1.573 4.704 208 2HG1 VAL 24 2HG1 VAL 24 5.935 -2.371 5.982 209 3HG1 VAL 24 3HG1 VAL 24 6.635 -1.009 5.074 210 1HG2 VAL 24 1HG2 VAL 24 8.568 -3.374 4.544 211 2HG2 VAL 24 2HG2 VAL 24 8.374 -2.946 2.827 212 3HG2 VAL 24 3HG2 VAL 24 8.348 -1.673 4.071 213 H SER 25 H SER 25 7.201 -6.573 5.057 214 HA SER 25 HA SER 25 7.993 -7.175 2.314 215 1HB SER 25 1HB SER 25 9.992 -8.278 3.161 216 2HB SER 25 2HB SER 25 9.940 -6.645 3.795 217 HG SER 25 HG SER 25 9.355 -9.116 5.161 218 H THR 26 H THR 26 6.928 -8.394 5.534 219 HA THR 26 HA THR 26 6.452 -11.044 4.456 220 HB THR 26 HB THR 26 5.807 -11.485 6.848 221 HG1 THR 26 1HG THR 26 6.018 -9.552 8.246 222 1HG2 THR 26 1HG2 THR 26 8.233 -9.696 7.072 223 2HG2 THR 26 2HG2 THR 26 7.967 -11.320 7.752 224 3HG2 THR 26 3HG2 THR 26 8.349 -11.130 6.023 225 H SER 27 H SER 27 4.234 -12.064 5.141 226 HA SER 27 HA SER 27 2.301 -10.403 3.819 227 1HB SER 27 1HB SER 27 2.294 -13.311 4.722 228 2HB SER 27 2HB SER 27 0.885 -12.545 4.017 229 HG SER 27 HG SER 27 3.132 -12.060 2.477 230 H GLU 28 H GLU 28 2.651 -12.248 6.930 231 HA GLU 28 HA GLU 28 0.257 -11.549 8.028 232 1HB GLU 28 1HB GLU 28 2.670 -12.812 8.869 233 2HB GLU 28 2HB GLU 28 2.332 -11.578 10.066 234 1HG GLU 28 1HG GLU 28 0.089 -13.381 9.118 235 2HG GLU 28 2HG GLU 28 1.239 -13.986 10.294 236 H GLY 29 H GLY 29 3.381 -9.753 7.986 237 1HA GLY 29 1HA GLY 29 2.554 -7.674 9.729 238 2HA GLY 29 2HA GLY 29 3.916 -7.660 8.627 239 H LEU 30 H LEU 30 2.433 -8.189 6.160 240 HA LEU 30 HA LEU 30 1.607 -5.520 5.630 241 1HB LEU 30 1HB LEU 30 2.210 -7.965 4.147 242 2HB LEU 30 2HB LEU 30 0.869 -7.068 3.462 243 HG LEU 30 HG LEU 30 3.081 -5.295 4.117 244 1HD1 LEU 30 1HD1 LEU 30 4.427 -6.268 2.069 245 2HD1 LEU 30 2HD1 LEU 30 4.704 -6.862 3.724 246 3HD1 LEU 30 3HD1 LEU 30 3.691 -7.799 2.599 247 1HD2 LEU 30 1HD2 LEU 30 2.395 -4.235 2.260 248 2HD2 LEU 30 2HD2 LEU 30 2.324 -5.732 1.300 249 3HD2 LEU 30 3HD2 LEU 30 0.980 -5.308 2.388 250 H ALA 31 H ALA 31 -0.116 -8.722 5.496 251 HA ALA 31 HA ALA 31 -2.629 -7.734 5.030 252 1HB ALA 31 1HB ALA 31 -1.818 -10.140 5.039 253 2HB ALA 31 2HB ALA 31 -1.957 -10.104 6.813 254 3HB ALA 31 3HB ALA 31 -3.404 -9.876 5.802 255 H PHE 32 H PHE 32 -0.620 -7.447 7.879 256 HA PHE 32 HA PHE 32 -2.585 -7.230 9.832 257 1HB PHE 32 1HB PHE 32 0.195 -7.086 9.579 258 2HB PHE 32 2HB PHE 32 -0.190 -5.409 9.908 259 HD1 PHE 32 1HD PHE 32 -2.475 -5.737 11.790 260 HD2 PHE 32 2HD PHE 32 1.224 -7.802 11.545 261 HE1 PHE 32 1HE PHE 32 -2.597 -6.246 14.245 262 HE2 PHE 32 2HE PHE 32 1.102 -8.311 14.000 263 HZ PHE 32 HZ PHE 32 -0.807 -7.528 15.321 264 H TRP 33 H TRP 33 -1.769 -5.126 7.169 265 HA TRP 33 HA TRP 33 -3.631 -3.149 8.251 266 1HB TRP 33 1HB TRP 33 -2.204 -1.316 7.498 267 2HB TRP 33 2HB TRP 33 -1.475 -2.246 8.792 268 HD1 TRP 33 HD TRP 33 0.660 -3.866 8.051 269 HE1 TRP 33 1HE TRP 33 2.448 -3.711 6.117 270 HE3 TRP 33 3HE TRP 33 -1.963 -0.596 5.173 271 HZ2 TRP 33 2HZ TRP 33 2.563 -2.271 3.656 272 HZ3 TRP 33 3HZ TRP 33 -0.942 0.134 3.020 273 HH2 TRP 33 HH TRP 33 1.241 -0.650 2.248 274 H PHE 34 H PHE 34 -1.620 -4.303 5.457 275 HA PHE 34 HA PHE 34 -3.294 -3.124 3.518 276 1HB PHE 34 1HB PHE 34 -0.976 -3.708 3.013 277 2HB PHE 34 2HB PHE 34 -1.175 -5.332 3.641 278 HD1 PHE 34 1HD PHE 34 -0.589 -6.672 1.821 279 HD2 PHE 34 2HD PHE 34 -3.384 -3.530 1.255 280 HE1 PHE 34 1HE PHE 34 -1.062 -7.511 -0.497 281 HE2 PHE 34 2HE PHE 34 -3.858 -4.369 -1.063 282 HZ PHE 34 HZ PHE 34 -2.691 -6.349 -1.911 283 H MET 35 H MET 35 -2.615 -6.627 3.379 284 HA MET 35 HA MET 35 -5.193 -7.431 4.104 285 1HB MET 35 1HB MET 35 -4.674 -6.666 1.262 286 2HB MET 35 2HB MET 35 -5.371 -8.264 1.439 287 1HG MET 35 1HG MET 35 -7.030 -6.983 3.126 288 2HG MET 35 2HG MET 35 -6.552 -5.586 2.184 289 1HE MET 35 1HE MET 35 -6.949 -5.482 -0.620 290 2HE MET 35 2HE MET 35 -5.808 -6.840 -0.474 291 3HE MET 35 3HE MET 35 -7.274 -7.013 -1.469 292 H GLU 36 H GLU 36 -5.556 -9.842 3.434 293 HA GLU 36 HA GLU 36 -3.270 -11.230 4.173 294 1HB GLU 36 1HB GLU 36 -5.931 -12.116 2.994 295 2HB GLU 36 2HB GLU 36 -4.693 -13.267 3.456 296 1HG GLU 36 1HG GLU 36 -4.967 -11.421 5.639 297 2HG GLU 36 2HG GLU 36 -6.588 -11.871 5.150 298 H ASN 37 H ASN 37 -1.684 -12.331 3.009 299 HA ASN 37 HA ASN 37 -2.060 -12.844 0.250 300 1HB ASN 37 1HB ASN 37 -0.153 -11.453 -0.555 301 2HB ASN 37 2HB ASN 37 -1.409 -10.441 0.130 302 1HD2 ASN 37 1HD2 ASN 37 -1.183 -10.191 2.615 303 2HD2 ASN 37 2HD2 ASN 37 0.386 -9.738 3.191 304 H ASP 38 H ASP 38 0.399 -13.537 -0.614 305 HA ASP 38 HA ASP 38 1.561 -15.022 1.611 306 1HB ASP 38 1HB ASP 38 0.904 -15.796 -1.228 307 2HB ASP 38 2HB ASP 38 2.334 -16.510 -0.509 308 H LEU 39 H LEU 39 2.255 -12.299 0.640 309 HA LEU 39 HA LEU 39 4.458 -12.447 -1.122 310 1HB LEU 39 1HB LEU 39 3.007 -10.468 -0.742 311 2HB LEU 39 2HB LEU 39 3.709 -10.288 0.853 312 HG LEU 39 HG LEU 39 5.839 -10.418 -1.067 313 1HD1 LEU 39 1HD1 LEU 39 3.608 -8.496 -1.757 314 2HD1 LEU 39 2HD1 LEU 39 5.293 -8.284 -2.292 315 3HD1 LEU 39 3HD1 LEU 39 4.372 -9.720 -2.800 316 1HD2 LEU 39 1HD2 LEU 39 6.682 -8.756 0.195 317 2HD2 LEU 39 2HD2 LEU 39 5.165 -7.825 0.180 318 3HD2 LEU 39 3HD2 LEU 39 5.359 -9.193 1.302 319 H LYS 40 H LYS 40 6.732 -12.112 -0.620 320 HA LYS 40 HA LYS 40 7.508 -12.499 2.136 321 1HB LYS 40 1HB LYS 40 7.132 -14.770 0.622 322 2HB LYS 40 2HB LYS 40 8.838 -14.452 0.378 323 1HG LYS 40 1HG LYS 40 9.339 -14.610 2.692 324 2HG LYS 40 2HG LYS 40 7.685 -14.295 3.176 325 1HD LYS 40 1HD LYS 40 8.542 -16.812 1.675 326 2HD LYS 40 2HD LYS 40 8.440 -16.722 3.422 327 1HE LYS 40 1HE LYS 40 5.969 -15.759 2.821 328 2HE LYS 40 2HE LYS 40 6.228 -16.732 1.387 329 1HZ LYS 40 1HZ LYS 40 7.044 -18.324 3.407 330 2HZ LYS 40 2HZ LYS 40 5.743 -17.572 4.046 331 3HZ LYS 40 3HZ LYS 40 5.598 -18.411 2.653 332 H ALA 41 H ALA 41 7.624 -10.470 -0.130 333 HA ALA 41 HA ALA 41 9.085 -9.107 -1.096 334 1HB ALA 41 1HB ALA 41 11.068 -8.517 0.330 335 2HB ALA 41 2HB ALA 41 9.528 -8.532 1.222 336 3HB ALA 41 3HB ALA 41 10.664 -9.892 1.386 337 H GLU 42 H GLU 42 9.152 -10.937 -2.792 338 HA GLU 42 HA GLU 42 11.927 -11.414 -3.307 339 1HB GLU 42 1HB GLU 42 10.591 -13.442 -2.011 340 2HB GLU 42 2HB GLU 42 10.303 -13.882 -3.682 341 1HG GLU 42 1HG GLU 42 12.667 -13.979 -4.174 342 2HG GLU 42 2HG GLU 42 13.088 -13.166 -2.679 343 H THR 43 H THR 43 12.134 -10.612 -5.349 344 HA THR 43 HA THR 43 10.041 -10.075 -7.059 345 HB THR 43 HB THR 43 12.651 -9.436 -6.969 346 HG1 THR 43 1HG THR 43 11.090 -9.891 -9.414 347 1HG2 THR 43 1HG2 THR 43 12.503 -11.466 -9.253 348 2HG2 THR 43 2HG2 THR 43 13.910 -10.488 -8.771 349 3HG2 THR 43 3HG2 THR 43 13.335 -11.801 -7.715 350 H GLY 44 H GLY 44 9.039 -11.069 -8.793 351 1HA GLY 44 1HA GLY 44 8.297 -12.766 -10.068 352 2HA GLY 44 2HA GLY 44 9.847 -13.555 -9.854 353 H HIS 45 H HIS 45 7.763 -12.594 -7.108 354 HA HIS 45 HA HIS 45 7.478 -15.438 -6.506 355 1HB HIS 45 1HB HIS 45 8.650 -14.166 -4.815 356 2HB HIS 45 2HB HIS 45 7.364 -12.977 -4.744 357 HD1 HIS 45 1HD HIS 45 6.896 -16.771 -4.704 358 HD2 HIS 45 2HD HIS 45 6.432 -13.443 -2.193 359 HE1 HIS 45 1HE HIS 45 5.731 -17.620 -2.599 360 H HIS 46 H HIS 46 5.654 -16.058 -7.669 361 HA HIS 46 HA HIS 46 3.404 -14.430 -7.952 362 1HB HIS 46 1HB HIS 46 2.317 -16.718 -8.514 363 2HB HIS 46 2HB HIS 46 3.566 -16.071 -9.558 364 HD1 HIS 46 1HD HIS 46 2.958 -18.780 -6.988 365 HD2 HIS 46 2HD HIS 46 5.945 -17.560 -9.668 366 HE1 HIS 46 1HE HIS 46 4.666 -20.674 -7.065 367 H PHE 47 H PHE 47 2.299 -13.635 -6.219 368 HA PHE 47 HA PHE 47 1.505 -15.611 -4.199 369 1HB PHE 47 1HB PHE 47 2.060 -14.017 -2.517 370 2HB PHE 47 2HB PHE 47 3.311 -13.694 -3.701 371 HD1 PHE 47 1HD PHE 47 3.366 -11.627 -4.911 372 HD2 PHE 47 2HD PHE 47 0.124 -12.490 -2.313 373 HE1 PHE 47 1HE PHE 47 2.626 -9.232 -5.040 374 HE2 PHE 47 2HE PHE 47 -0.617 -10.095 -2.442 375 HZ PHE 47 HZ PHE 47 0.643 -8.495 -3.804 376 H HIS 48 H HIS 48 -0.672 -15.768 -3.873 377 HA HIS 48 HA HIS 48 -2.352 -14.020 -5.405 378 1HB HIS 48 1HB HIS 48 -2.881 -16.436 -3.664 379 2HB HIS 48 2HB HIS 48 -4.166 -15.514 -4.419 380 HD1 HIS 48 1HD HIS 48 -0.823 -16.613 -5.947 381 HD2 HIS 48 2HD HIS 48 -4.951 -17.130 -6.483 382 HE1 HIS 48 1HE HIS 48 -1.101 -17.983 -8.082 383 H LEU 49 H LEU 49 -4.383 -13.070 -4.328 384 HA LEU 49 HA LEU 49 -3.701 -12.117 -1.637 385 1HB LEU 49 1HB LEU 49 -3.142 -10.373 -3.188 386 2HB LEU 49 2HB LEU 49 -4.690 -10.516 -3.996 387 HG LEU 49 HG LEU 49 -5.688 -9.894 -1.658 388 1HD1 LEU 49 1HD1 LEU 49 -4.337 -9.236 -0.019 389 2HD1 LEU 49 2HD1 LEU 49 -2.987 -9.894 -0.976 390 3HD1 LEU 49 3HD1 LEU 49 -3.415 -8.171 -1.108 391 1HD2 LEU 49 1HD2 LEU 49 -6.242 -8.119 -2.862 392 2HD2 LEU 49 2HD2 LEU 49 -4.662 -7.389 -2.490 393 3HD2 LEU 49 3HD2 LEU 49 -4.859 -8.388 -3.950 394 H GLN 50 H GLN 50 -5.283 -12.429 -0.151 395 HA GLN 50 HA GLN 50 -7.771 -13.474 -1.179 396 1HB GLN 50 1HB GLN 50 -6.477 -13.456 1.572 397 2HB GLN 50 2HB GLN 50 -8.141 -13.958 1.344 398 1HG GLN 50 1HG GLN 50 -6.325 -15.226 -0.606 399 2HG GLN 50 2HG GLN 50 -5.864 -15.578 1.048 400 1HE2 GLN 50 1HE2 GLN 50 -8.377 -15.795 -1.369 401 2HE2 GLN 50 2HE2 GLN 50 -9.346 -17.014 -0.612 402 H SER 51 H SER 51 -8.433 -11.290 -1.997 403 HA SER 51 HA SER 51 -8.956 -9.336 0.030 404 1HB SER 51 1HB SER 51 -9.227 -7.841 -1.708 405 2HB SER 51 2HB SER 51 -8.258 -9.043 -2.537 406 HG SER 51 HG SER 51 -11.149 -8.839 -2.595 407 HA PRO 52 HA PRO 52 -13.186 -10.249 0.515 408 1HB PRO 52 1HB PRO 52 -14.420 -7.815 0.667 409 2HB PRO 52 2HB PRO 52 -13.528 -8.522 1.999 410 1HG PRO 52 1HG PRO 52 -12.732 -6.315 0.201 411 2HG PRO 52 2HG PRO 52 -12.073 -6.749 1.766 412 1HD PRO 52 1HD PRO 52 -10.897 -7.274 -0.797 413 2HD PRO 52 2HD PRO 52 -10.297 -7.808 0.761 414 H PHE 53 H PHE 53 -12.723 -7.861 -2.018 415 HA PHE 53 HA PHE 53 -15.173 -8.665 -3.279 416 1HB PHE 53 1HB PHE 53 -13.657 -6.383 -3.192 417 2HB PHE 53 2HB PHE 53 -12.938 -7.105 -4.618 418 HD1 PHE 53 1HD PHE 53 -16.143 -5.925 -3.188 419 HD2 PHE 53 2HD PHE 53 -14.035 -7.015 -6.706 420 HE1 PHE 53 1HE PHE 53 -18.016 -5.019 -4.591 421 HE2 PHE 53 2HE PHE 53 -15.908 -6.109 -8.109 422 HZ PHE 53 HZ PHE 53 -17.877 -5.122 -7.035 423 H GLY 54 H GLY 54 -13.758 -10.991 -2.987 424 1HA GLY 54 1HA GLY 54 -13.336 -12.784 -4.330 425 2HA GLY 54 2HA GLY 54 -13.299 -11.741 -5.738 426 HA PRO 55 HA PRO 55 -9.003 -12.684 -4.105 427 1HB PRO 55 1HB PRO 55 -8.386 -15.131 -5.156 428 2HB PRO 55 2HB PRO 55 -8.913 -14.904 -3.500 429 1HG PRO 55 1HG PRO 55 -10.431 -15.982 -5.796 430 2HG PRO 55 2HG PRO 55 -10.772 -16.137 -4.085 431 1HD PRO 55 1HD PRO 55 -12.085 -14.394 -5.945 432 2HD PRO 55 2HD PRO 55 -12.346 -14.467 -4.214 433 H SER 56 H SER 56 -7.064 -12.237 -5.188 434 HA SER 56 HA SER 56 -7.359 -12.315 -8.067 435 1HB SER 56 1HB SER 56 -7.374 -9.894 -6.430 436 2HB SER 56 2HB SER 56 -6.007 -9.882 -7.526 437 HG SER 56 HG SER 56 -8.444 -10.715 -8.681 438 HA PRO 57 HA PRO 57 -3.236 -13.660 -7.578 439 1HB PRO 57 1HB PRO 57 -2.486 -13.773 -10.203 440 2HB PRO 57 2HB PRO 57 -3.397 -15.044 -9.411 441 1HG PRO 57 1HG PRO 57 -4.343 -13.010 -11.337 442 2HG PRO 57 2HG PRO 57 -5.105 -14.517 -10.869 443 1HD PRO 57 1HD PRO 57 -5.837 -11.882 -10.004 444 2HD PRO 57 2HD PRO 57 -6.523 -13.396 -9.448 445 H CYS 58 H CYS 58 -1.596 -12.577 -6.710 446 HA CYS 58 HA CYS 58 -0.983 -10.065 -8.087 447 1HB CYS 58 1HB CYS 58 -0.517 -10.799 -5.177 448 2HB CYS 58 2HB CYS 58 -0.065 -9.282 -5.929 449 HG CYS 58 HG CYS 58 -2.996 -9.952 -6.812 450 H GLN 59 H GLN 59 1.360 -9.515 -8.227 451 HA GLN 59 HA GLN 59 3.161 -11.685 -7.677 452 1HB GLN 59 1HB GLN 59 2.536 -12.341 -9.894 453 2HB GLN 59 2HB GLN 59 2.555 -10.690 -10.482 454 1HG GLN 59 1HG GLN 59 4.840 -10.672 -10.774 455 2HG GLN 59 2HG GLN 59 5.141 -11.600 -9.319 456 1HE2 GLN 59 1HE2 GLN 59 5.170 -11.622 -12.631 457 2HE2 GLN 59 2HE2 GLN 59 5.214 -13.325 -12.946 458 H VAL 60 H VAL 60 5.337 -10.976 -7.401 459 HA VAL 60 HA VAL 60 5.554 -8.108 -7.071 460 HB VAL 60 HB VAL 60 7.548 -10.289 -6.440 461 1HG1 VAL 60 1HG1 VAL 60 8.536 -8.695 -4.928 462 2HG1 VAL 60 2HG1 VAL 60 8.384 -7.928 -6.527 463 3HG1 VAL 60 3HG1 VAL 60 7.232 -7.522 -5.232 464 1HG2 VAL 60 1HG2 VAL 60 6.063 -11.029 -4.932 465 2HG2 VAL 60 2HG2 VAL 60 6.390 -9.523 -4.042 466 3HG2 VAL 60 3HG2 VAL 60 5.003 -9.616 -5.154 467 H THR 61 H THR 61 7.006 -6.766 -8.185 468 HA THR 61 HA THR 61 8.181 -8.015 -10.581 469 HB THR 61 HB THR 61 7.743 -5.870 -11.685 470 HG1 THR 61 1HG THR 61 6.801 -4.173 -10.262 471 1HG2 THR 61 1HG2 THR 61 5.505 -6.271 -11.916 472 2HG2 THR 61 2HG2 THR 61 5.631 -7.439 -10.578 473 3HG2 THR 61 3HG2 THR 61 5.205 -5.743 -10.243 474 H ASP 62 H ASP 62 8.697 -5.901 -7.764 475 HA ASP 62 HA ASP 62 11.511 -6.291 -8.166 476 1HB ASP 62 1HB ASP 62 10.180 -3.788 -8.798 477 2HB ASP 62 2HB ASP 62 11.212 -3.536 -7.405 478 H VAL 63 H VAL 63 12.512 -6.489 -6.114 479 HA VAL 63 HA VAL 63 11.488 -5.163 -3.823 480 HB VAL 63 HB VAL 63 9.771 -6.801 -3.883 481 1HG1 VAL 63 1HG1 VAL 63 11.954 -8.889 -4.202 482 2HG1 VAL 63 2HG1 VAL 63 10.224 -9.232 -3.959 483 3HG1 VAL 63 3HG1 VAL 63 10.768 -8.397 -5.434 484 1HG2 VAL 63 1HG2 VAL 63 11.439 -8.239 -1.916 485 2HG2 VAL 63 2HG2 VAL 63 11.438 -6.468 -1.738 486 3HG2 VAL 63 3HG2 VAL 63 9.902 -7.366 -1.703 487 H GLU 64 H GLU 64 13.456 -4.495 -3.111 488 HA GLU 64 HA GLU 64 15.299 -6.535 -2.343 489 1HB GLU 64 1HB GLU 64 15.922 -6.092 -4.731 490 2HB GLU 64 2HB GLU 64 16.172 -4.402 -4.342 491 1HG GLU 64 1HG GLU 64 18.287 -4.874 -3.687 492 2HG GLU 64 2HG GLU 64 17.657 -5.884 -2.401 493 H ARG 65 H ARG 65 15.520 -5.939 -0.223 494 HA ARG 65 HA ARG 65 15.870 -4.747 1.544 495 1HB ARG 65 1HB ARG 65 17.667 -3.600 -0.473 496 2HB ARG 65 2HB ARG 65 17.216 -2.384 0.706 497 1HG ARG 65 1HG ARG 65 17.720 -4.606 2.316 498 2HG ARG 65 2HG ARG 65 18.907 -4.797 1.041 499 1HD ARG 65 1HD ARG 65 18.671 -2.010 2.063 500 2HD ARG 65 2HD ARG 65 19.218 -3.164 3.262 501 HE ARG 65 HE ARG 65 20.586 -3.381 0.665 502 1HH1 ARG 65 2HH2 ARG 65 20.610 -1.909 3.861 503 2HH1 ARG 65 1HH2 ARG 65 22.307 -1.566 3.830 504 1HH2 ARG 65 2HH1 ARG 65 22.825 -2.929 0.624 505 2HH2 ARG 65 1HH1 ARG 65 23.576 -2.150 1.976 506 HA PRO 66 HA PRO 66 12.992 -1.478 1.817 507 1HB PRO 66 1HB PRO 66 13.870 0.066 3.894 508 2HB PRO 66 2HB PRO 66 13.028 -1.454 4.119 509 1HG PRO 66 1HG PRO 66 15.906 -0.864 4.445 510 2HG PRO 66 2HG PRO 66 14.988 -2.224 5.060 511 1HD PRO 66 1HD PRO 66 16.768 -2.231 2.810 512 2HD PRO 66 2HD PRO 66 15.762 -3.559 3.355 513 H ILE 67 H ILE 67 13.843 -0.895 -0.420 514 HA ILE 67 HA ILE 67 14.377 1.956 -0.254 515 HB ILE 67 HB ILE 67 16.132 1.662 -2.066 516 1HG1 ILE 67 1HG1 ILE 67 17.368 -0.658 -1.526 517 2HG1 ILE 67 2HG1 ILE 67 15.717 -1.178 -1.254 518 1HG2 ILE 67 1HG2 ILE 67 16.390 2.164 0.495 519 2HG2 ILE 67 2HG2 ILE 67 17.119 0.541 0.531 520 3HG2 ILE 67 3HG2 ILE 67 17.816 1.806 -0.509 521 1HD1 ILE 67 1HD1 ILE 67 15.825 0.450 -3.662 522 2HD1 ILE 67 2HD1 ILE 67 17.031 -0.856 -3.753 523 3HD1 ILE 67 3HD1 ILE 67 15.316 -1.246 -3.480 524 H LYS 68 H LYS 68 13.770 -0.958 -2.310 525 HA LYS 68 HA LYS 68 11.776 0.641 -3.724 526 1HB LYS 68 1HB LYS 68 14.004 0.558 -4.981 527 2HB LYS 68 2HB LYS 68 13.708 -1.154 -5.204 528 1HG LYS 68 1HG LYS 68 11.426 0.672 -5.874 529 2HG LYS 68 2HG LYS 68 12.818 0.763 -6.935 530 1HD LYS 68 1HD LYS 68 12.579 -1.444 -7.683 531 2HD LYS 68 2HD LYS 68 11.806 -1.980 -6.204 532 1HE LYS 68 1HE LYS 68 9.924 -1.920 -7.547 533 2HE LYS 68 2HE LYS 68 9.893 -0.252 -7.012 534 1HZ LYS 68 1HZ LYS 68 11.592 -0.411 -9.190 535 2HZ LYS 68 2HZ LYS 68 10.228 -1.212 -9.592 536 3HZ LYS 68 3HZ LYS 68 10.147 0.343 -9.099 537 H LEU 69 H LEU 69 9.867 -0.438 -4.038 538 HA LEU 69 HA LEU 69 9.842 -3.310 -4.036 539 1HB LEU 69 1HB LEU 69 9.947 -2.799 -1.639 540 2HB LEU 69 2HB LEU 69 8.522 -1.789 -1.783 541 HG LEU 69 HG LEU 69 7.339 -3.922 -2.656 542 1HD1 LEU 69 1HD1 LEU 69 8.243 -6.009 -2.266 543 2HD1 LEU 69 2HD1 LEU 69 9.667 -5.089 -2.807 544 3HD1 LEU 69 3HD1 LEU 69 9.415 -5.401 -1.072 545 1HD2 LEU 69 1HD2 LEU 69 7.590 -2.752 -0.151 546 2HD2 LEU 69 2HD2 LEU 69 6.370 -3.947 -0.653 547 3HD2 LEU 69 3HD2 LEU 69 7.864 -4.485 0.152 548 H SER 70 H SER 70 8.136 -4.068 -5.248 549 HA SER 70 HA SER 70 5.876 -2.346 -5.623 550 1HB SER 70 1HB SER 70 7.710 -1.735 -7.363 551 2HB SER 70 2HB SER 70 7.374 -3.292 -8.093 552 HG SER 70 HG SER 70 6.146 -1.276 -8.865 553 H PHE 71 H PHE 71 4.028 -3.519 -6.537 554 HA PHE 71 HA PHE 71 4.394 -6.283 -7.219 555 1HB PHE 71 1HB PHE 71 3.251 -7.163 -5.295 556 2HB PHE 71 2HB PHE 71 4.295 -5.941 -4.597 557 HD1 PHE 71 1HD PHE 71 3.364 -3.824 -3.786 558 HD2 PHE 71 2HD PHE 71 0.853 -6.866 -5.350 559 HE1 PHE 71 1HE PHE 71 1.367 -2.702 -2.761 560 HE2 PHE 71 2HE PHE 71 -1.144 -5.744 -4.325 561 HZ PHE 71 HZ PHE 71 -0.864 -3.676 -3.043 562 H THR 72 H THR 72 2.729 -7.017 -8.536 563 HA THR 72 HA THR 72 0.759 -5.014 -9.266 564 HB THR 72 HB THR 72 0.393 -6.567 -11.174 565 HG1 THR 72 1HG THR 72 1.570 -8.606 -11.050 566 1HG2 THR 72 1HG2 THR 72 2.385 -6.071 -12.215 567 2HG2 THR 72 2HG2 THR 72 2.802 -5.237 -10.699 568 3HG2 THR 72 3HG2 THR 72 3.335 -6.914 -10.969 569 H TRP 73 H TRP 73 -1.531 -5.470 -9.435 570 HA TRP 73 HA TRP 73 -2.496 -7.740 -7.929 571 1HB TRP 73 1HB TRP 73 -2.095 -6.244 -6.111 572 2HB TRP 73 2HB TRP 73 -2.845 -4.904 -6.956 573 HD1 TRP 73 HD TRP 73 -4.672 -8.279 -6.993 574 HE1 TRP 73 1HE TRP 73 -6.893 -8.193 -5.571 575 HE3 TRP 73 3HE TRP 73 -3.811 -3.700 -4.958 576 HZ2 TRP 73 2HZ TRP 73 -8.015 -6.262 -3.793 577 HZ3 TRP 73 3HZ TRP 73 -5.519 -2.787 -3.388 578 HH2 TRP 73 HH TRP 73 -7.563 -3.990 -2.798 579 H ASP 74 H ASP 74 -4.359 -8.448 -8.920 580 HA ASP 74 HA ASP 74 -6.163 -8.465 -10.133 581 1HB ASP 74 1HB ASP 74 -6.121 -5.461 -10.542 582 2HB ASP 74 2HB ASP 74 -7.511 -6.525 -10.462 583 H THR 75 H THR 75 -6.704 -8.444 -12.469 584 HA THR 75 HA THR 75 -4.415 -7.617 -14.117 585 HB THR 75 HB THR 75 -5.368 -9.355 -15.693 586 HG1 THR 75 1HG THR 75 -7.401 -10.052 -15.149 587 1HG2 THR 75 1HG2 THR 75 -4.954 -10.271 -12.799 588 2HG2 THR 75 2HG2 THR 75 -5.040 -11.373 -14.194 589 3HG2 THR 75 3HG2 THR 75 -3.709 -10.198 -14.069 590 H ASP 76 H ASP 76 -5.986 -5.505 -13.305 591 HA ASP 76 HA ASP 76 -7.702 -5.075 -15.615 592 1HB ASP 76 1HB ASP 76 -8.212 -4.677 -12.926 593 2HB ASP 76 2HB ASP 76 -7.673 -3.078 -13.398 594 H GLY 77 H GLY 77 -5.590 -3.170 -13.318 595 1HA GLY 77 1HA GLY 77 -3.613 -2.326 -14.939 596 2HA GLY 77 2HA GLY 77 -4.929 -1.260 -15.388 597 H TRP 78 H TRP 78 -4.161 -2.705 -12.155 598 HA TRP 78 HA TRP 78 -3.714 0.035 -11.185 599 1HB TRP 78 1HB TRP 78 -5.461 -2.140 -10.091 600 2HB TRP 78 2HB TRP 78 -4.694 -1.010 -8.992 601 HD1 TRP 78 HD TRP 78 -5.183 1.341 -11.542 602 HE1 TRP 78 1HE TRP 78 -7.499 2.606 -11.565 603 HE3 TRP 78 3HE TRP 78 -7.633 -2.001 -8.596 604 HZ2 TRP 78 2HZ TRP 78 -10.038 2.079 -10.375 605 HZ3 TRP 78 3HZ TRP 78 -10.029 -1.551 -8.074 606 HH2 TRP 78 HH TRP 78 -11.230 0.406 -8.912 607 H SER 79 H SER 79 -1.607 0.213 -10.560 608 HA SER 79 HA SER 79 -0.461 -2.103 -9.229 609 1HB SER 79 1HB SER 79 1.561 -0.642 -10.741 610 2HB SER 79 2HB SER 79 1.202 -2.358 -10.744 611 HG SER 79 HG SER 79 0.838 -1.502 -12.842 612 H VAL 80 H VAL 80 0.535 -1.554 -7.303 613 HA VAL 80 HA VAL 80 1.000 1.316 -6.874 614 HB VAL 80 HB VAL 80 -0.800 0.449 -5.523 615 1HG1 VAL 80 1HG1 VAL 80 -0.288 -1.916 -5.515 616 2HG1 VAL 80 2HG1 VAL 80 1.200 -1.632 -4.582 617 3HG1 VAL 80 3HG1 VAL 80 -0.388 -1.338 -3.834 618 1HG2 VAL 80 1HG2 VAL 80 1.748 1.353 -4.321 619 2HG2 VAL 80 2HG2 VAL 80 0.105 2.021 -4.174 620 3HG2 VAL 80 3HG2 VAL 80 0.588 0.623 -3.185 621 H THR 81 H THR 81 2.971 1.975 -5.939 622 HA THR 81 HA THR 81 4.976 -0.172 -5.696 623 HB THR 81 HB THR 81 5.416 2.658 -6.776 624 HG1 THR 81 1HG THR 81 5.162 1.594 -8.816 625 1HG2 THR 81 1HG2 THR 81 7.535 1.858 -7.500 626 2HG2 THR 81 2HG2 THR 81 7.379 1.117 -5.889 627 3HG2 THR 81 3HG2 THR 81 7.043 0.154 -7.348 628 H PHE 82 H PHE 82 6.304 -0.159 -3.935 629 HA PHE 82 HA PHE 82 5.673 1.928 -1.976 630 1HB PHE 82 1HB PHE 82 6.682 -0.969 -1.877 631 2HB PHE 82 2HB PHE 82 6.753 0.058 -0.459 632 HD1 PHE 82 1HD PHE 82 4.314 1.407 -0.215 633 HD2 PHE 82 2HD PHE 82 4.956 -2.479 -1.796 634 HE1 PHE 82 1HE PHE 82 1.950 0.785 0.353 635 HE2 PHE 82 2HE PHE 82 2.591 -3.100 -1.228 636 HZ PHE 82 HZ PHE 82 1.117 -1.461 -0.160 637 H HIS 83 H HIS 83 7.381 2.925 -0.765 638 HA HIS 83 HA HIS 83 10.080 2.305 -1.609 639 1HB HIS 83 1HB HIS 83 8.816 5.035 -1.968 640 2HB HIS 83 2HB HIS 83 10.542 4.739 -2.023 641 HD1 HIS 83 1HD HIS 83 11.518 3.633 -4.149 642 HD2 HIS 83 2HD HIS 83 7.342 4.024 -4.202 643 HE1 HIS 83 1HE HIS 83 10.783 3.132 -6.541 644 H LEU 84 H LEU 84 11.373 2.242 0.164 645 HA LEU 84 HA LEU 84 10.407 3.703 2.524 646 1HB LEU 84 1HB LEU 84 11.711 1.015 2.213 647 2HB LEU 84 2HB LEU 84 11.835 1.903 3.719 648 HG LEU 84 HG LEU 84 9.141 2.018 3.290 649 1HD1 LEU 84 1HD1 LEU 84 9.309 0.602 1.282 650 2HD1 LEU 84 2HD1 LEU 84 10.020 -0.698 2.269 651 3HD1 LEU 84 3HD1 LEU 84 8.349 -0.162 2.572 652 1HD2 LEU 84 1HD2 LEU 84 8.967 0.240 4.983 653 2HD2 LEU 84 2HD2 LEU 84 10.686 -0.152 4.737 654 3HD2 LEU 84 3HD2 LEU 84 10.219 1.438 5.387 655 H LYS 85 H LYS 85 12.177 4.440 4.026 656 HA LYS 85 HA LYS 85 14.831 4.550 3.209 657 1HB LYS 85 1HB LYS 85 14.857 7.045 2.605 658 2HB LYS 85 2HB LYS 85 14.367 5.903 1.370 659 1HG LYS 85 1HG LYS 85 12.330 6.883 1.195 660 2HG LYS 85 2HG LYS 85 12.026 6.654 2.906 661 1HD LYS 85 1HD LYS 85 11.981 8.976 2.823 662 2HD LYS 85 2HD LYS 85 13.684 8.737 3.164 663 1HE LYS 85 1HE LYS 85 14.132 9.924 1.279 664 2HE LYS 85 2HE LYS 85 13.548 8.551 0.360 665 1HZ LYS 85 1HZ LYS 85 11.382 9.481 0.354 666 2HZ LYS 85 2HZ LYS 85 11.803 10.684 1.375 667 3HZ LYS 85 3HZ LYS 85 12.413 10.646 -0.140 668 H GLU 86 H GLU 86 15.770 4.614 5.171 669 HA GLU 86 HA GLU 86 14.336 5.548 7.393 670 1HB GLU 86 1HB GLU 86 16.211 3.734 7.230 671 2HB GLU 86 2HB GLU 86 17.334 5.075 7.345 672 1HG GLU 86 1HG GLU 86 15.098 4.986 9.358 673 2HG GLU 86 2HG GLU 86 16.373 3.796 9.530 674 H GLU 87 H GLU 87 14.358 7.526 8.444 675 HA GLU 87 HA GLU 87 15.988 9.555 7.151 676 1HB GLU 87 1HB GLU 87 13.255 9.476 7.975 677 2HB GLU 87 2HB GLU 87 14.050 10.632 9.025 678 1HG GLU 87 1HG GLU 87 14.704 10.782 6.093 679 2HG GLU 87 2HG GLU 87 13.100 11.298 6.574 680 H GLU 88 H GLU 88 15.934 11.523 9.211 681 HA GLU 88 HA GLU 88 18.156 11.072 10.566 682 1HB GLU 88 1HB GLU 88 15.721 12.726 11.123 683 2HB GLU 88 2HB GLU 88 16.861 12.556 12.442 684 1HG GLU 88 1HG GLU 88 18.576 13.066 10.335 685 2HG GLU 88 2HG GLU 88 17.168 13.988 9.846 686 H ASN 89 H ASN 89 15.046 10.900 12.430 687 HA ASN 89 HA ASN 89 16.127 8.502 13.683 688 1HB ASN 89 1HB ASN 89 14.989 11.017 14.923 689 2HB ASN 89 2HB ASN 89 14.663 9.495 15.729 690 1HD2 ASN 89 1HD2 ASN 89 16.752 12.039 15.466 691 2HD2 ASN 89 2HD2 ASN 89 18.184 11.366 16.170 692 H GLY 90 H GLY 90 14.548 7.937 11.640 693 1HA GLY 90 1HA GLY 90 12.256 6.725 12.650 694 2HA GLY 90 2HA GLY 90 11.759 8.262 11.970 695 H THR 91 H THR 91 10.647 6.238 10.677 696 HA THR 91 HA THR 91 12.364 5.761 8.329 697 HB THR 91 HB THR 91 10.070 4.108 9.513 698 HG1 THR 91 1HG THR 91 12.144 4.049 10.657 699 1HG2 THR 91 1HG2 THR 91 10.443 3.965 6.945 700 2HG2 THR 91 2HG2 THR 91 12.059 3.327 7.331 701 3HG2 THR 91 3HG2 THR 91 10.605 2.441 7.850 702 H ILE 92 H ILE 92 11.579 6.167 6.271 703 HA ILE 92 HA ILE 92 9.101 7.739 6.272 704 HB ILE 92 HB ILE 92 11.465 7.853 4.397 705 1HG1 ILE 92 1HG1 ILE 92 11.880 8.692 6.731 706 2HG1 ILE 92 2HG1 ILE 92 12.109 9.873 5.457 707 1HG2 ILE 92 1HG2 ILE 92 10.324 9.954 3.604 708 2HG2 ILE 92 2HG2 ILE 92 9.518 8.429 3.163 709 3HG2 ILE 92 3HG2 ILE 92 8.880 9.419 4.498 710 1HD1 ILE 92 1HD1 ILE 92 10.350 11.170 6.155 711 2HD1 ILE 92 2HD1 ILE 92 9.340 9.759 6.553 712 3HD1 ILE 92 3HD1 ILE 92 10.588 10.312 7.696 713 H PHE 93 H PHE 93 7.386 7.073 5.050 714 HA PHE 93 HA PHE 93 7.904 4.804 3.260 715 1HB PHE 93 1HB PHE 93 6.712 4.315 5.493 716 2HB PHE 93 2HB PHE 93 5.451 5.432 5.010 717 HD1 PHE 93 1HD PHE 93 3.882 4.845 3.230 718 HD2 PHE 93 2HD PHE 93 6.883 2.120 4.485 719 HE1 PHE 93 1HE PHE 93 2.675 2.978 2.065 720 HE2 PHE 93 2HE PHE 93 5.675 0.253 3.321 721 HZ PHE 93 HZ PHE 93 3.586 0.704 2.125 722 H THR 94 H THR 94 7.384 5.224 1.170 723 HA THR 94 HA THR 94 5.299 7.253 0.698 724 HB THR 94 HB THR 94 7.906 6.742 -0.832 725 HG1 THR 94 1HG THR 94 8.361 8.841 0.150 726 1HG2 THR 94 1HG2 THR 94 7.105 8.114 -2.478 727 2HG2 THR 94 2HG2 THR 94 5.490 7.923 -1.755 728 3HG2 THR 94 3HG2 THR 94 6.523 9.290 -1.274 729 H ILE 95 H ILE 95 3.609 6.663 -0.530 730 HA ILE 95 HA ILE 95 3.862 4.058 -1.861 731 HB ILE 95 HB ILE 95 2.254 3.665 -0.316 732 1HG1 ILE 95 1HG1 ILE 95 1.358 3.538 -2.731 733 2HG1 ILE 95 2HG1 ILE 95 0.218 3.429 -1.405 734 1HG2 ILE 95 1HG2 ILE 95 1.614 6.602 -0.487 735 2HG2 ILE 95 2HG2 ILE 95 0.494 5.456 0.288 736 3HG2 ILE 95 3HG2 ILE 95 2.151 5.639 0.911 737 1HD1 ILE 95 1HD1 ILE 95 -0.813 5.383 -1.972 738 2HD1 ILE 95 2HD1 ILE 95 0.733 6.217 -2.257 739 3HD1 ILE 95 3HD1 ILE 95 0.023 5.198 -3.532 740 H VAL 96 H VAL 96 3.112 3.830 -4.007 741 HA VAL 96 HA VAL 96 2.272 6.313 -5.305 742 HB VAL 96 HB VAL 96 4.525 4.491 -6.166 743 1HG1 VAL 96 1HG1 VAL 96 2.778 6.280 -7.721 744 2HG1 VAL 96 2HG1 VAL 96 4.517 6.593 -7.938 745 3HG1 VAL 96 3HG1 VAL 96 3.857 4.971 -8.261 746 1HG2 VAL 96 1HG2 VAL 96 5.958 6.042 -5.406 747 2HG2 VAL 96 2HG2 VAL 96 4.996 7.384 -6.071 748 3HG2 VAL 96 3HG2 VAL 96 4.578 6.689 -4.487 749 H HIS 97 H HIS 97 0.412 5.978 -6.403 750 HA HIS 97 HA HIS 97 -0.057 3.247 -7.356 751 1HB HIS 97 1HB HIS 97 -1.404 4.200 -5.291 752 2HB HIS 97 2HB HIS 97 -2.329 5.023 -6.531 753 HD1 HIS 97 1HD HIS 97 -4.425 3.557 -5.928 754 HD2 HIS 97 2HD HIS 97 -1.131 1.397 -7.370 755 HE1 HIS 97 1HE HIS 97 -5.293 1.225 -6.498 756 H SER 98 H SER 98 -0.418 3.085 -9.520 757 HA SER 98 HA SER 98 -1.291 5.522 -10.854 758 1HB SER 98 1HB SER 98 0.762 3.590 -12.010 759 2HB SER 98 2HB SER 98 0.263 5.127 -12.687 760 HG SER 98 HG SER 98 1.553 6.202 -11.325 761 H GLY 99 H GLY 99 -2.209 5.001 -13.127 762 1HA GLY 99 1HA GLY 99 -3.059 3.282 -14.578 763 2HA GLY 99 2HA GLY 99 -3.399 2.296 -13.170 764 H TRP 100 H TRP 100 -3.974 5.827 -13.249 765 HA TRP 100 HA TRP 100 -6.837 5.247 -12.993 766 1HB TRP 100 1HB TRP 100 -5.138 7.567 -12.078 767 2HB TRP 100 2HB TRP 100 -6.890 7.615 -12.090 768 HD1 TRP 100 HD TRP 100 -3.980 6.152 -10.106 769 HE1 TRP 100 1HE TRP 100 -4.795 4.983 -7.884 770 HE3 TRP 100 3HE TRP 100 -8.940 6.328 -11.211 771 HZ2 TRP 100 2HZ TRP 100 -7.364 4.279 -6.862 772 HZ3 TRP 100 3HZ TRP 100 -10.535 5.379 -9.547 773 HH2 TRP 100 HH TRP 100 -9.818 4.380 -7.435 774 H LYS 101 H LYS 101 -8.066 7.477 -13.826 775 HA LYS 101 HA LYS 101 -6.968 8.008 -16.498 776 1HB LYS 101 1HB LYS 101 -9.926 7.776 -15.962 777 2HB LYS 101 2HB LYS 101 -9.081 7.746 -17.497 778 1HG LYS 101 1HG LYS 101 -8.104 5.559 -17.001 779 2HG LYS 101 2HG LYS 101 -8.691 5.611 -15.351 780 1HD LYS 101 1HD LYS 101 -11.009 5.452 -16.078 781 2HD LYS 101 2HD LYS 101 -10.566 5.707 -17.754 782 1HE LYS 101 1HE LYS 101 -10.876 3.354 -17.604 783 2HE LYS 101 2HE LYS 101 -9.135 3.547 -17.544 784 1HZ LYS 101 1HZ LYS 101 -9.493 2.227 -15.761 785 2HZ LYS 101 2HZ LYS 101 -9.610 3.672 -15.009 786 3HZ LYS 101 3HZ LYS 101 -10.962 2.846 -15.406 787 H GLN 102 H GLN 102 -9.605 9.686 -16.757 788 HA GLN 102 HA GLN 102 -8.395 12.009 -15.532 789 1HB GLN 102 1HB GLN 102 -9.905 13.297 -17.027 790 2HB GLN 102 2HB GLN 102 -8.916 12.162 -17.924 791 1HG GLN 102 1HG GLN 102 -11.229 10.685 -17.225 792 2HG GLN 102 2HG GLN 102 -11.838 12.270 -17.659 793 1HE2 GLN 102 1HE2 GLN 102 -11.847 12.934 -19.720 794 2HE2 GLN 102 2HE2 GLN 102 -11.296 12.009 -21.077 795 H GLY 103 H GLY 103 -10.020 13.715 -14.636 796 1HA GLY 103 1HA GLY 103 -11.770 12.315 -12.755 797 2HA GLY 103 2HA GLY 103 -11.189 13.964 -12.644 798 H ASP 104 H ASP 104 -12.472 12.667 -15.704 799 HA ASP 104 HA ASP 104 -14.948 14.099 -15.189 800 1HB ASP 104 1HB ASP 104 -13.270 14.244 -17.738 801 2HB ASP 104 2HB ASP 104 -14.866 14.946 -17.559 802 H THR 105 H THR 105 -14.065 11.195 -15.205 803 HA THR 105 HA THR 105 -15.975 10.260 -17.217 804 HB THR 105 HB THR 105 -13.473 10.148 -17.983 805 HG1 THR 105 1HG THR 105 -14.401 8.514 -19.161 806 1HG2 THR 105 1HG2 THR 105 -13.578 7.710 -16.137 807 2HG2 THR 105 2HG2 THR 105 -12.225 8.213 -17.178 808 3HG2 THR 105 3HG2 THR 105 -12.655 9.181 -15.747 809 H LYS 106 H LYS 106 -15.926 7.580 -16.763 810 HA LYS 106 HA LYS 106 -16.168 7.281 -13.870 811 1HB LYS 106 1HB LYS 106 -18.391 7.820 -14.334 812 2HB LYS 106 2HB LYS 106 -18.384 7.004 -15.884 813 1HG LYS 106 1HG LYS 106 -18.216 4.797 -14.743 814 2HG LYS 106 2HG LYS 106 -18.161 5.592 -13.183 815 1HD LYS 106 1HD LYS 106 -20.428 5.403 -13.154 816 2HD LYS 106 2HD LYS 106 -20.451 6.700 -14.331 817 1HE LYS 106 1HE LYS 106 -19.885 4.361 -15.839 818 2HE LYS 106 2HE LYS 106 -21.114 3.869 -14.691 819 1HZ LYS 106 1HZ LYS 106 -21.674 6.404 -15.817 820 2HZ LYS 106 2HZ LYS 106 -21.535 5.255 -16.969 821 3HZ LYS 106 3HZ LYS 106 -22.611 5.069 -15.756 822 H VAL 107 H VAL 107 -16.219 4.976 -13.203 823 HA VAL 107 HA VAL 107 -14.399 3.489 -14.848 824 HB VAL 107 HB VAL 107 -15.764 2.815 -12.233 825 1HG1 VAL 107 1HG1 VAL 107 -13.335 1.568 -13.564 826 2HG1 VAL 107 2HG1 VAL 107 -13.979 1.153 -11.958 827 3HG1 VAL 107 3HG1 VAL 107 -14.945 0.824 -13.416 828 1HG2 VAL 107 1HG2 VAL 107 -13.069 4.084 -12.816 829 2HG2 VAL 107 2HG2 VAL 107 -14.446 4.816 -11.959 830 3HG2 VAL 107 3HG2 VAL 107 -13.564 3.455 -11.226 831 H GLU 108 H GLU 108 -14.788 1.388 -15.759 832 HA GLU 108 HA GLU 108 -17.630 0.968 -16.261 833 1HB GLU 108 1HB GLU 108 -16.954 -0.086 -18.389 834 2HB GLU 108 2HB GLU 108 -16.337 1.550 -18.282 835 1HG GLU 108 1HG GLU 108 -14.133 0.602 -17.442 836 2HG GLU 108 2HG GLU 108 -14.765 -1.008 -17.725 837 H LYS 109 H LYS 109 -16.671 -0.008 -13.849 838 HA LYS 109 HA LYS 109 -17.020 -2.827 -14.259 839 1HB LYS 109 1HB LYS 109 -14.499 -2.298 -14.521 840 2HB LYS 109 2HB LYS 109 -14.514 -2.006 -12.794 841 1HG LYS 109 1HG LYS 109 -13.951 -4.306 -12.970 842 2HG LYS 109 2HG LYS 109 -15.656 -4.326 -12.565 843 1HD LYS 109 1HD LYS 109 -16.046 -4.356 -15.169 844 2HD LYS 109 2HD LYS 109 -14.360 -4.825 -15.267 845 1HE LYS 109 1HE LYS 109 -14.767 -6.801 -13.858 846 2HE LYS 109 2HE LYS 109 -16.417 -6.295 -13.551 847 1HZ LYS 109 1HZ LYS 109 -15.265 -7.293 -16.035 848 2HZ LYS 109 2HZ LYS 109 -16.620 -7.778 -15.264 849 3HZ LYS 109 3HZ LYS 109 -16.607 -6.365 -16.083 850 H ALA 110 H ALA 110 -15.792 -0.482 -11.761 851 HA ALA 110 HA ALA 110 -17.113 -1.704 -9.642 852 1HB ALA 110 1HB ALA 110 -16.333 1.220 -9.983 853 2HB ALA 110 2HB ALA 110 -16.595 0.362 -8.445 854 3HB ALA 110 3HB ALA 110 -15.223 -0.081 -9.489 855 H GLY 111 H GLY 111 -17.987 1.530 -11.047 856 1HA GLY 111 1HA GLY 111 -20.455 1.242 -11.950 857 2HA GLY 111 2HA GLY 111 -20.752 1.077 -10.230 858 H ALA 112 H ALA 112 -19.015 2.867 -9.029 859 HA ALA 112 HA ALA 112 -20.286 5.339 -9.641 860 1HB ALA 112 1HB ALA 112 -17.914 5.377 -7.882 861 2HB ALA 112 2HB ALA 112 -19.588 5.887 -7.556 862 3HB ALA 112 3HB ALA 112 -19.138 4.171 -7.420 863 H GLU 113 H GLU 113 -18.719 7.395 -9.703 864 HA GLU 113 HA GLU 113 -17.366 7.145 -12.154 865 1HB GLU 113 1HB GLU 113 -17.292 9.473 -10.186 866 2HB GLU 113 2HB GLU 113 -16.908 9.543 -11.895 867 1HG GLU 113 1HG GLU 113 -19.341 8.608 -12.256 868 2HG GLU 113 2HG GLU 113 -19.618 9.098 -10.596 869 H SER 114 H SER 114 -15.031 8.076 -12.417 870 HA SER 114 HA SER 114 -13.349 6.415 -10.935 871 1HB SER 114 1HB SER 114 -12.372 8.821 -12.497 872 2HB SER 114 2HB SER 114 -11.598 7.261 -12.304 873 HG SER 114 HG SER 114 -13.319 6.314 -13.603 874 H ALA 115 H ALA 115 -14.285 9.865 -10.720 875 HA ALA 115 HA ALA 115 -12.260 10.620 -8.909 876 1HB ALA 115 1HB ALA 115 -14.865 12.032 -8.799 877 2HB ALA 115 2HB ALA 115 -13.231 12.667 -9.109 878 3HB ALA 115 3HB ALA 115 -14.152 11.898 -10.424 879 H VAL 116 H VAL 116 -15.515 9.161 -8.592 880 HA VAL 116 HA VAL 116 -15.742 9.563 -5.817 881 HB VAL 116 HB VAL 116 -16.988 7.604 -7.748 882 1HG1 VAL 116 1HG1 VAL 116 -17.223 6.483 -5.702 883 2HG1 VAL 116 2HG1 VAL 116 -17.451 7.995 -4.790 884 3HG1 VAL 116 3HG1 VAL 116 -18.741 7.398 -5.861 885 1HG2 VAL 116 1HG2 VAL 116 -18.864 9.056 -7.775 886 2HG2 VAL 116 2HG2 VAL 116 -18.256 9.995 -6.390 887 3HG2 VAL 116 3HG2 VAL 116 -17.436 10.101 -7.966 888 H VAL 117 H VAL 117 -14.726 6.681 -7.785 889 HA VAL 117 HA VAL 117 -14.056 5.124 -5.560 890 HB VAL 117 HB VAL 117 -13.135 5.063 -8.438 891 1HG1 VAL 117 1HG1 VAL 117 -12.979 2.754 -6.491 892 2HG1 VAL 117 2HG1 VAL 117 -12.229 2.913 -8.097 893 3HG1 VAL 117 3HG1 VAL 117 -11.624 3.883 -6.733 894 1HG2 VAL 117 1HG2 VAL 117 -14.866 3.520 -8.847 895 2HG2 VAL 117 2HG2 VAL 117 -15.146 3.236 -7.112 896 3HG2 VAL 117 3HG2 VAL 117 -15.622 4.785 -7.849 897 H HIS 118 H HIS 118 -12.036 7.187 -7.759 898 HA HIS 118 HA HIS 118 -9.606 6.702 -6.664 899 1HB HIS 118 1HB HIS 118 -9.783 8.011 -8.630 900 2HB HIS 118 2HB HIS 118 -10.805 9.204 -7.853 901 HD1 HIS 118 1HD HIS 118 -9.614 10.856 -6.117 902 HD2 HIS 118 2HD HIS 118 -7.041 8.435 -8.379 903 HE1 HIS 118 1HE HIS 118 -7.286 11.875 -5.885 904 H GLU 119 H GLU 119 -11.937 9.297 -5.634 905 HA GLU 119 HA GLU 119 -10.416 10.192 -3.534 906 1HB GLU 119 1HB GLU 119 -13.374 10.241 -4.161 907 2HB GLU 119 2HB GLU 119 -12.815 10.852 -2.616 908 1HG GLU 119 1HG GLU 119 -11.214 12.377 -3.828 909 2HG GLU 119 2HG GLU 119 -11.844 11.796 -5.356 910 H ARG 120 H ARG 120 -13.055 7.702 -3.589 911 HA ARG 120 HA ARG 120 -13.065 7.186 -0.911 912 1HB ARG 120 1HB ARG 120 -14.041 5.920 -3.363 913 2HB ARG 120 2HB ARG 120 -13.511 4.693 -2.231 914 1HG ARG 120 1HG ARG 120 -14.902 6.419 -0.561 915 2HG ARG 120 2HG ARG 120 -15.815 6.564 -2.049 916 1HD ARG 120 1HD ARG 120 -16.886 4.691 -1.224 917 2HD ARG 120 2HD ARG 120 -15.556 3.861 -2.005 918 HE ARG 120 HE ARG 120 -14.789 4.642 0.665 919 1HH1 ARG 120 2HH2 ARG 120 -16.771 2.303 -1.063 920 2HH1 ARG 120 1HH2 ARG 120 -16.673 1.106 0.186 921 1HH2 ARG 120 2HH1 ARG 120 -14.659 3.063 2.312 922 2HH2 ARG 120 1HH1 ARG 120 -15.464 1.542 2.118 923 H MET 121 H MET 121 -11.384 5.264 -3.519 924 HA MET 121 HA MET 121 -10.025 3.607 -1.814 925 1HB MET 121 1HB MET 121 -9.974 4.400 -4.650 926 2HB MET 121 2HB MET 121 -8.351 4.065 -4.083 927 1HG MET 121 1HG MET 121 -10.439 2.087 -3.247 928 2HG MET 121 2HG MET 121 -10.082 2.127 -4.962 929 1HE MET 121 1HE MET 121 -8.548 -0.841 -4.206 930 2HE MET 121 2HE MET 121 -9.345 0.241 -5.373 931 3HE MET 121 3HE MET 121 -7.587 -0.022 -5.460 932 H ASP 122 H ASP 122 -9.037 6.793 -3.218 933 HA ASP 122 HA ASP 122 -6.461 6.793 -2.310 934 1HB ASP 122 1HB ASP 122 -7.438 8.479 -3.860 935 2HB ASP 122 2HB ASP 122 -8.418 9.125 -2.559 936 H ARG 123 H ARG 123 -9.462 8.222 -0.804 937 HA ARG 123 HA ARG 123 -8.405 9.247 1.427 938 1HB ARG 123 1HB ARG 123 -11.034 8.226 0.589 939 2HB ARG 123 2HB ARG 123 -10.803 8.017 2.314 940 1HG ARG 123 1HG ARG 123 -9.986 10.670 1.168 941 2HG ARG 123 2HG ARG 123 -11.706 10.336 1.212 942 1HD ARG 123 1HD ARG 123 -11.793 10.315 3.543 943 2HD ARG 123 2HD ARG 123 -10.158 9.708 3.711 944 HE ARG 123 HE ARG 123 -10.140 12.368 2.568 945 1HH1 ARG 123 2HH2 ARG 123 -10.543 10.644 5.609 946 2HH1 ARG 123 1HH2 ARG 123 -10.020 11.979 6.582 947 1HH2 ARG 123 2HH1 ARG 123 -9.451 14.129 3.851 948 2HH2 ARG 123 1HH1 ARG 123 -9.395 13.974 5.575 949 H GLY 124 H GLY 124 -9.673 5.851 1.049 950 1HA GLY 124 1HA GLY 124 -8.892 4.975 3.613 951 2HA GLY 124 2HA GLY 124 -9.296 3.975 2.232 952 H TRP 125 H TRP 125 -7.220 5.173 0.445 953 HA TRP 125 HA TRP 125 -5.150 3.404 0.964 954 1HB TRP 125 1HB TRP 125 -5.789 5.472 -0.964 955 2HB TRP 125 2HB TRP 125 -4.079 5.473 -0.581 956 HD1 TRP 125 HD TRP 125 -6.371 3.853 -2.922 957 HE1 TRP 125 1HE TRP 125 -5.413 1.660 -4.035 958 HE3 TRP 125 3HE TRP 125 -2.533 3.236 0.356 959 HZ2 TRP 125 2HZ TRP 125 -3.208 -0.048 -3.433 960 HZ3 TRP 125 3HZ TRP 125 -1.024 1.280 0.023 961 HH2 TRP 125 HH TRP 125 -1.313 -0.331 -1.793 962 H HIS 126 H HIS 126 -5.316 7.014 1.415 963 HA HIS 126 HA HIS 126 -2.838 7.150 2.710 964 1HB HIS 126 1HB HIS 126 -4.327 8.972 1.558 965 2HB HIS 126 2HB HIS 126 -5.043 9.147 3.148 966 HD1 HIS 126 1HD HIS 126 -4.064 11.524 3.489 967 HD2 HIS 126 2HD HIS 126 -1.164 8.557 2.869 968 HE1 HIS 126 1HE HIS 126 -1.819 12.584 4.078 969 H ASP 127 H ASP 127 -6.244 7.170 3.973 970 HA ASP 127 HA ASP 127 -5.650 7.384 6.604 971 1HB ASP 127 1HB ASP 127 -7.944 7.447 5.854 972 2HB ASP 127 2HB ASP 127 -7.833 5.851 5.139 973 H LEU 128 H LEU 128 -5.387 4.607 4.380 974 HA LEU 128 HA LEU 128 -5.142 2.637 6.417 975 1HB LEU 128 1HB LEU 128 -5.965 1.908 4.358 976 2HB LEU 128 2HB LEU 128 -4.708 2.723 3.449 977 HG LEU 128 HG LEU 128 -3.054 1.094 4.494 978 1HD1 LEU 128 1HD1 LEU 128 -3.726 -0.282 6.094 979 2HD1 LEU 128 2HD1 LEU 128 -5.395 0.317 5.941 980 3HD1 LEU 128 3HD1 LEU 128 -4.849 -1.057 4.951 981 1HD2 LEU 128 1HD2 LEU 128 -3.190 0.232 2.456 982 2HD2 LEU 128 2HD2 LEU 128 -4.530 -0.804 3.003 983 3HD2 LEU 128 3HD2 LEU 128 -4.871 0.793 2.294 984 H VAL 129 H VAL 129 -2.861 4.552 4.377 985 HA VAL 129 HA VAL 129 -0.656 3.413 5.918 986 HB VAL 129 HB VAL 129 -0.648 3.423 3.415 987 1HG1 VAL 129 1HG1 VAL 129 -0.887 6.353 3.906 988 2HG1 VAL 129 2HG1 VAL 129 0.202 5.835 2.596 989 3HG1 VAL 129 3HG1 VAL 129 -1.512 5.356 2.570 990 1HG2 VAL 129 1HG2 VAL 129 1.713 4.910 3.604 991 2HG2 VAL 129 2HG2 VAL 129 1.446 4.277 5.246 992 3HG2 VAL 129 3HG2 VAL 129 1.526 3.159 3.863 993 H ASN 130 H ASN 130 -2.574 5.189 7.208 994 HA ASN 130 HA ASN 130 -0.816 7.484 7.596 995 1HB ASN 130 1HB ASN 130 -3.745 7.277 7.203 996 2HB ASN 130 2HB ASN 130 -3.336 8.188 8.643 997 1HD2 ASN 130 1HD2 ASN 130 -1.084 9.479 8.084 998 2HD2 ASN 130 2HD2 ASN 130 -1.259 10.577 6.756 999 H GLU 131 H GLU 131 -3.335 5.316 9.082 1000 HA GLU 131 HA GLU 131 -1.892 5.615 11.601 1001 1HB GLU 131 1HB GLU 131 -4.882 5.094 11.352 1002 2HB GLU 131 2HB GLU 131 -3.991 5.475 12.812 1003 1HG GLU 131 1HG GLU 131 -3.421 7.565 10.928 1004 2HG GLU 131 2HG GLU 131 -5.152 7.294 10.872 1005 H ARG 132 H ARG 132 -4.311 3.493 9.892 1006 HA ARG 132 HA ARG 132 -4.111 1.267 11.255 1007 1HB ARG 132 1HB ARG 132 -4.067 1.610 8.222 1008 2HB ARG 132 2HB ARG 132 -4.259 0.036 8.966 1009 1HG ARG 132 1HG ARG 132 -6.059 2.095 10.112 1010 2HG ARG 132 2HG ARG 132 -6.325 1.821 8.402 1011 1HD ARG 132 1HD ARG 132 -6.787 -0.516 8.729 1012 2HD ARG 132 2HD ARG 132 -6.098 -0.515 10.340 1013 HE ARG 132 HE ARG 132 -8.215 1.364 10.376 1014 1HH1 ARG 132 2HH2 ARG 132 -7.807 -2.098 9.893 1015 2HH1 ARG 132 1HH2 ARG 132 -9.381 -2.497 10.495 1016 1HH2 ARG 132 2HH1 ARG 132 -10.292 0.838 11.171 1017 2HH2 ARG 132 1HH1 ARG 132 -10.804 -0.816 11.227 1018 H LEU 133 H LEU 133 -1.791 2.179 8.599 1019 HA LEU 133 HA LEU 133 -0.095 -0.032 9.099 1020 1HB LEU 133 1HB LEU 133 -0.164 0.883 6.923 1021 2HB LEU 133 2HB LEU 133 0.157 2.506 7.501 1022 HG LEU 133 HG LEU 133 2.441 2.016 7.949 1023 1HD1 LEU 133 1HD1 LEU 133 1.500 -0.760 8.052 1024 2HD1 LEU 133 2HD1 LEU 133 3.044 -0.553 7.191 1025 3HD1 LEU 133 3HD1 LEU 133 2.875 0.025 8.866 1026 1HD2 LEU 133 1HD2 LEU 133 2.458 0.484 5.467 1027 2HD2 LEU 133 2HD2 LEU 133 1.349 1.875 5.406 1028 3HD2 LEU 133 3HD2 LEU 133 3.065 2.121 5.813 1029 H ARG 134 H ARG 134 -0.185 3.406 10.146 1030 HA ARG 134 HA ARG 134 2.299 3.516 11.259 1031 1HB ARG 134 1HB ARG 134 0.522 5.381 10.975 1032 2HB ARG 134 2HB ARG 134 -0.184 4.813 12.475 1033 1HG ARG 134 1HG ARG 134 2.721 5.162 12.740 1034 2HG ARG 134 2HG ARG 134 1.955 6.642 12.198 1035 1HD ARG 134 1HD ARG 134 0.930 5.033 14.582 1036 2HD ARG 134 2HD ARG 134 2.098 6.329 14.745 1037 HE ARG 134 HE ARG 134 -0.196 7.217 13.218 1038 1HH1 ARG 134 2HH2 ARG 134 0.872 6.534 16.500 1039 2HH1 ARG 134 1HH2 ARG 134 -0.260 7.623 17.232 1040 1HH2 ARG 134 2HH1 ARG 134 -1.690 8.654 14.182 1041 2HH2 ARG 134 1HH1 ARG 134 -1.727 8.836 15.904 1042 H GLN 135 H GLN 135 -0.744 2.081 12.475 1043 HA GLN 135 HA GLN 135 0.125 1.798 15.122 1044 1HB GLN 135 1HB GLN 135 -2.225 1.209 13.563 1045 2HB GLN 135 2HB GLN 135 -1.793 -0.241 14.447 1046 1HG GLN 135 1HG GLN 135 -1.600 1.213 16.551 1047 2HG GLN 135 2HG GLN 135 -2.272 2.536 15.619 1048 1HE2 GLN 135 1HE2 GLN 135 -4.066 2.650 16.952 1049 2HE2 GLN 135 2HE2 GLN 135 -5.369 1.510 16.888 1050 H ILE 136 H ILE 136 0.431 -0.169 12.156 1051 HA ILE 136 HA ILE 136 1.124 -2.589 13.286 1052 HB ILE 136 HB ILE 136 2.029 -1.286 10.717 1053 1HG1 ILE 136 1HG1 ILE 136 -0.358 -1.465 10.782 1054 2HG1 ILE 136 2HG1 ILE 136 0.256 -2.713 9.716 1055 1HG2 ILE 136 1HG2 ILE 136 2.672 -3.908 11.922 1056 2HG2 ILE 136 2HG2 ILE 136 2.137 -3.949 10.225 1057 3HG2 ILE 136 3HG2 ILE 136 3.538 -2.955 10.692 1058 1HD1 ILE 136 1HD1 ILE 136 -1.011 -2.979 12.427 1059 2HD1 ILE 136 2HD1 ILE 136 -1.211 -3.991 10.977 1060 3HD1 ILE 136 3HD1 ILE 136 0.245 -4.160 11.986 1061 H VAL 137 H VAL 137 2.788 0.468 13.331 1062 HA VAL 137 HA VAL 137 5.215 -0.915 14.248 1063 HB VAL 137 HB VAL 137 6.379 1.189 13.627 1064 1HG1 VAL 137 1HG1 VAL 137 6.007 0.825 11.061 1065 2HG1 VAL 137 2HG1 VAL 137 6.691 -0.486 12.052 1066 3HG1 VAL 137 3HG1 VAL 137 4.972 -0.523 11.591 1067 1HG2 VAL 137 1HG2 VAL 137 3.751 1.909 12.284 1068 2HG2 VAL 137 2HG2 VAL 137 4.429 2.700 13.728 1069 3HG2 VAL 137 3HG2 VAL 137 5.282 2.812 12.169 1070 H GLU 138 H GLU 138 2.763 1.623 14.836 1071 HA GLU 138 HA GLU 138 4.054 2.308 17.313 1072 1HB GLU 138 1HB GLU 138 1.801 3.419 15.666 1073 2HB GLU 138 2HB GLU 138 1.772 3.751 17.386 1074 1HG GLU 138 1HG GLU 138 4.466 4.194 16.577 1075 2HG GLU 138 2HG GLU 138 3.480 4.911 15.318 Start of MODEL 9 1 1H MET 1 H MET 1 -3.502 19.607 -16.750 2 HA MET 1 HA MET 1 -4.312 18.963 -14.022 3 1HB MET 1 1HB MET 1 -5.722 20.551 -15.867 4 2HB MET 1 2HB MET 1 -6.457 18.976 -16.088 5 1HG MET 1 1HG MET 1 -6.502 18.975 -13.406 6 2HG MET 1 2HG MET 1 -6.401 20.713 -13.613 7 1HE MET 1 1HE MET 1 -10.062 18.388 -13.519 8 2HE MET 1 2HE MET 1 -8.757 17.487 -14.327 9 3HE MET 1 3HE MET 1 -8.472 18.231 -12.735 10 H THR 2 H THR 2 -5.126 18.036 -17.452 11 HA THR 2 HA THR 2 -5.528 16.026 -18.347 12 HB THR 2 HB THR 2 -2.987 16.220 -18.193 13 HG1 THR 2 1HG THR 2 -2.848 13.875 -18.628 14 1HG2 THR 2 1HG2 THR 2 -3.566 14.578 -15.693 15 2HG2 THR 2 2HG2 THR 2 -2.056 14.346 -16.606 16 3HG2 THR 2 3HG2 THR 2 -2.426 15.931 -15.885 17 H ARG 3 H ARG 3 -5.153 13.375 -17.534 18 HA ARG 3 HA ARG 3 -7.472 12.932 -16.207 19 1HB ARG 3 1HB ARG 3 -4.977 11.160 -16.282 20 2HB ARG 3 2HB ARG 3 -6.576 10.596 -15.840 21 1HG ARG 3 1HG ARG 3 -6.796 10.111 -18.063 22 2HG ARG 3 2HG ARG 3 -7.132 11.822 -18.242 23 1HD ARG 3 1HD ARG 3 -4.277 11.563 -18.181 24 2HD ARG 3 2HD ARG 3 -4.866 10.303 -19.248 25 HE ARG 3 HE ARG 3 -4.883 13.142 -19.787 26 1HH1 ARG 3 2HH2 ARG 3 -6.740 10.205 -20.342 27 2HH1 ARG 3 1HH2 ARG 3 -7.473 10.791 -21.798 28 1HH2 ARG 3 2HH1 ARG 3 -5.850 13.916 -21.707 29 2HH2 ARG 3 1HH1 ARG 3 -6.963 12.916 -22.580 30 H LEU 4 H LEU 4 -7.149 11.190 -14.063 31 HA LEU 4 HA LEU 4 -6.643 12.986 -11.945 32 1HB LEU 4 1HB LEU 4 -6.974 9.991 -11.801 33 2HB LEU 4 2HB LEU 4 -7.233 11.155 -10.517 34 HG LEU 4 HG LEU 4 -8.865 11.424 -13.012 35 1HD1 LEU 4 1HD1 LEU 4 -10.525 9.820 -12.161 36 2HD1 LEU 4 2HD1 LEU 4 -8.983 9.036 -12.578 37 3HD1 LEU 4 3HD1 LEU 4 -9.393 9.341 -10.873 38 1HD2 LEU 4 1HD2 LEU 4 -9.619 11.774 -10.101 39 2HD2 LEU 4 2HD2 LEU 4 -8.947 13.068 -11.122 40 3HD2 LEU 4 3HD2 LEU 4 -10.512 12.328 -11.538 41 HA PRO 5 HA PRO 5 -2.410 12.290 -11.414 42 1HB PRO 5 1HB PRO 5 -2.071 13.349 -8.918 43 2HB PRO 5 2HB PRO 5 -2.142 14.325 -10.371 44 1HG PRO 5 1HG PRO 5 -4.204 13.954 -8.286 45 2HG PRO 5 2HG PRO 5 -4.078 15.219 -9.492 46 1HD PRO 5 1HD PRO 5 -5.854 12.967 -9.546 47 2HD PRO 5 2HD PRO 5 -5.646 14.167 -10.805 48 H ASP 6 H ASP 6 -0.803 10.963 -10.475 49 HA ASP 6 HA ASP 6 -1.779 8.540 -9.715 50 1HB ASP 6 1HB ASP 6 0.885 9.603 -8.710 51 2HB ASP 6 2HB ASP 6 0.492 7.962 -9.184 52 H ILE 7 H ILE 7 -2.302 7.596 -7.681 53 HA ILE 7 HA ILE 7 -2.790 9.407 -5.538 54 HB ILE 7 HB ILE 7 -3.196 6.473 -6.009 55 1HG1 ILE 7 1HG1 ILE 7 -5.159 8.690 -5.365 56 2HG1 ILE 7 2HG1 ILE 7 -4.730 8.206 -6.994 57 1HG2 ILE 7 1HG2 ILE 7 -3.000 7.846 -3.411 58 2HG2 ILE 7 2HG2 ILE 7 -4.494 6.909 -3.650 59 3HG2 ILE 7 3HG2 ILE 7 -2.909 6.115 -3.814 60 1HD1 ILE 7 1HD1 ILE 7 -6.078 6.505 -4.856 61 2HD1 ILE 7 2HD1 ILE 7 -6.740 7.005 -6.431 62 3HD1 ILE 7 3HD1 ILE 7 -5.415 5.819 -6.359 63 H LYS 8 H LYS 8 -0.406 10.106 -5.528 64 HA LYS 8 HA LYS 8 1.278 8.186 -4.131 65 1HB LYS 8 1HB LYS 8 2.321 9.248 -6.003 66 2HB LYS 8 2HB LYS 8 1.823 10.842 -5.473 67 1HG LYS 8 1HG LYS 8 3.226 10.562 -3.396 68 2HG LYS 8 2HG LYS 8 3.763 9.004 -3.992 69 1HD LYS 8 1HD LYS 8 5.250 9.942 -5.449 70 2HD LYS 8 2HD LYS 8 4.087 11.126 -6.014 71 1HE LYS 8 1HE LYS 8 5.293 11.442 -3.251 72 2HE LYS 8 2HE LYS 8 6.237 11.904 -4.654 73 1HZ LYS 8 1HZ LYS 8 5.078 13.793 -4.116 74 2HZ LYS 8 2HZ LYS 8 4.146 13.175 -5.305 75 3HZ LYS 8 3HZ LYS 8 3.694 13.009 -3.745 76 H LYS 9 H LYS 9 1.553 8.214 -1.961 77 HA LYS 9 HA LYS 9 0.909 10.714 -0.578 78 1HB LYS 9 1HB LYS 9 -0.096 7.949 0.152 79 2HB LYS 9 2HB LYS 9 -0.195 9.345 1.205 80 1HG LYS 9 1HG LYS 9 -1.257 9.620 -1.607 81 2HG LYS 9 2HG LYS 9 -2.203 8.692 -0.460 82 1HD LYS 9 1HD LYS 9 -2.126 10.650 1.135 83 2HD LYS 9 2HD LYS 9 -1.263 11.574 -0.078 84 1HE LYS 9 1HE LYS 9 -3.175 11.345 -1.651 85 2HE LYS 9 2HE LYS 9 -4.033 10.350 -0.491 86 1HZ LYS 9 1HZ LYS 9 -4.714 12.159 0.535 87 2HZ LYS 9 2HZ LYS 9 -3.200 12.746 0.709 88 3HZ LYS 9 3HZ LYS 9 -4.053 13.076 -0.644 89 H GLU 10 H GLU 10 1.943 10.868 1.585 90 HA GLU 10 HA GLU 10 4.108 8.992 1.950 91 1HB GLU 10 1HB GLU 10 4.920 10.957 0.520 92 2HB GLU 10 2HB GLU 10 4.631 11.993 1.903 93 1HG GLU 10 1HG GLU 10 6.245 9.512 2.411 94 2HG GLU 10 2HG GLU 10 7.014 10.758 1.448 95 H VAL 11 H VAL 11 4.500 8.579 4.121 96 HA VAL 11 HA VAL 11 3.425 10.495 6.049 97 HB VAL 11 HB VAL 11 2.698 8.310 7.307 98 1HG1 VAL 11 1HG1 VAL 11 0.419 8.548 6.318 99 2HG1 VAL 11 2HG1 VAL 11 1.169 10.102 6.757 100 3HG1 VAL 11 3HG1 VAL 11 1.116 9.589 5.053 101 1HG2 VAL 11 1HG2 VAL 11 3.599 7.105 5.023 102 2HG2 VAL 11 2HG2 VAL 11 2.403 6.403 6.139 103 3HG2 VAL 11 3HG2 VAL 11 1.860 7.261 4.677 104 H ARG 12 H ARG 12 4.339 10.132 8.264 105 HA ARG 12 HA ARG 12 6.909 8.781 8.045 106 1HB ARG 12 1HB ARG 12 7.261 11.224 8.037 107 2HB ARG 12 2HB ARG 12 6.252 11.413 9.457 108 1HG ARG 12 1HG ARG 12 8.028 9.621 10.462 109 2HG ARG 12 2HG ARG 12 9.055 10.349 9.243 110 1HD ARG 12 1HD ARG 12 9.377 12.170 10.559 111 2HD ARG 12 2HD ARG 12 7.653 12.486 10.585 112 HE ARG 12 HE ARG 12 9.210 11.062 12.645 113 1HH1 ARG 12 2HH2 ARG 12 6.012 11.813 11.384 114 2HH1 ARG 12 1HH2 ARG 12 5.201 11.455 12.872 115 1HH2 ARG 12 2HH1 ARG 12 8.141 10.589 14.609 116 2HH2 ARG 12 1HH1 ARG 12 6.420 10.754 14.719 117 H PHE 13 H PHE 13 7.275 7.250 9.643 118 HA PHE 13 HA PHE 13 5.565 7.422 12.023 119 1HB PHE 13 1HB PHE 13 6.587 4.973 10.462 120 2HB PHE 13 2HB PHE 13 5.577 4.890 11.891 121 HD1 PHE 13 1HD PHE 13 5.036 3.737 9.093 122 HD2 PHE 13 2HD PHE 13 3.826 7.331 10.997 123 HE1 PHE 13 1HE PHE 13 2.985 3.812 7.648 124 HE2 PHE 13 2HE PHE 13 1.775 7.406 9.553 125 HZ PHE 13 HZ PHE 13 1.379 5.646 7.895 126 H ASN 14 H ASN 14 6.520 6.864 14.022 127 HA ASN 14 HA ASN 14 9.367 7.067 13.983 128 1HB ASN 14 1HB ASN 14 7.228 7.628 15.842 129 2HB ASN 14 2HB ASN 14 8.306 6.489 16.625 130 1HD2 ASN 14 1HD2 ASN 14 7.841 9.234 17.294 131 2HD2 ASN 14 2HD2 ASN 14 9.341 10.090 17.169 132 H ALA 15 H ALA 15 10.309 5.076 13.340 133 HA ALA 15 HA ALA 15 10.402 2.981 15.167 134 1HB ALA 15 1HB ALA 15 8.931 2.007 12.748 135 2HB ALA 15 2HB ALA 15 8.910 1.397 14.420 136 3HB ALA 15 3HB ALA 15 7.988 2.859 13.994 137 HA PRO 16 HA PRO 16 13.713 2.055 12.544 138 1HB PRO 16 1HB PRO 16 14.157 -0.609 12.965 139 2HB PRO 16 2HB PRO 16 14.678 0.638 14.080 140 1HG PRO 16 1HG PRO 16 12.413 -1.245 14.332 141 2HG PRO 16 2HG PRO 16 13.203 -0.304 15.582 142 1HD PRO 16 1HD PRO 16 10.669 0.251 14.358 143 2HD PRO 16 2HD PRO 16 11.512 1.253 15.524 144 H ILE 17 H ILE 17 14.077 1.941 10.413 145 HA ILE 17 HA ILE 17 12.041 1.192 8.735 146 HB ILE 17 HB ILE 17 13.854 2.618 8.065 147 1HG1 ILE 17 1HG1 ILE 17 14.110 0.193 6.298 148 2HG1 ILE 17 2HG1 ILE 17 12.581 1.039 6.429 149 1HG2 ILE 17 1HG2 ILE 17 16.085 2.066 7.968 150 2HG2 ILE 17 2HG2 ILE 17 15.564 1.152 9.403 151 3HG2 ILE 17 3HG2 ILE 17 15.765 0.319 7.843 152 1HD1 ILE 17 1HD1 ILE 17 13.472 2.291 4.714 153 2HD1 ILE 17 2HD1 ILE 17 14.224 3.180 6.060 154 3HD1 ILE 17 3HD1 ILE 17 15.150 1.934 5.189 155 H GLU 18 H GLU 18 14.420 -0.786 10.435 156 HA GLU 18 HA GLU 18 14.287 -3.009 8.778 157 1HB GLU 18 1HB GLU 18 15.696 -2.293 11.045 158 2HB GLU 18 2HB GLU 18 14.633 -3.531 11.683 159 1HG GLU 18 1HG GLU 18 15.786 -4.305 9.081 160 2HG GLU 18 2HG GLU 18 17.027 -3.960 10.270 161 H LYS 19 H LYS 19 12.164 -1.769 11.354 162 HA LYS 19 HA LYS 19 10.686 -4.218 11.556 163 1HB LYS 19 1HB LYS 19 11.085 -2.455 13.387 164 2HB LYS 19 2HB LYS 19 9.848 -1.505 12.588 165 1HG LYS 19 1HG LYS 19 8.150 -3.116 13.006 166 2HG LYS 19 2HG LYS 19 9.303 -4.412 13.257 167 1HD LYS 19 1HD LYS 19 10.101 -2.798 15.278 168 2HD LYS 19 2HD LYS 19 8.445 -2.236 15.153 169 1HE LYS 19 1HE LYS 19 8.836 -5.212 15.139 170 2HE LYS 19 2HE LYS 19 9.179 -4.395 16.651 171 1HZ LYS 19 1HZ LYS 19 6.760 -3.552 15.376 172 2HZ LYS 19 2HZ LYS 19 6.752 -5.113 15.854 173 3HZ LYS 19 3HZ LYS 19 7.037 -3.928 16.941 174 H VAL 20 H VAL 20 10.045 -0.891 10.243 175 HA VAL 20 HA VAL 20 7.557 -1.415 9.202 176 HB VAL 20 HB VAL 20 9.655 0.354 7.944 177 1HG1 VAL 20 1HG1 VAL 20 7.706 1.787 7.416 178 2HG1 VAL 20 2HG1 VAL 20 7.586 0.175 6.671 179 3HG1 VAL 20 3HG1 VAL 20 6.630 0.558 8.122 180 1HG2 VAL 20 1HG2 VAL 20 8.446 2.065 9.590 181 2HG2 VAL 20 2HG2 VAL 20 8.237 0.591 10.566 182 3HG2 VAL 20 3HG2 VAL 20 9.869 1.120 10.092 183 H TRP 21 H TRP 21 10.825 -2.018 7.805 184 HA TRP 21 HA TRP 21 9.958 -2.794 5.274 185 1HB TRP 21 1HB TRP 21 12.280 -2.223 5.916 186 2HB TRP 21 2HB TRP 21 12.391 -3.730 6.804 187 HD1 TRP 21 HD TRP 21 13.741 -5.449 5.389 188 HE1 TRP 21 1HE TRP 21 14.001 -6.178 2.866 189 HE3 TRP 21 3HE TRP 21 10.489 -2.018 3.515 190 HZ2 TRP 21 2HZ TRP 21 12.844 -5.259 0.425 191 HZ3 TRP 21 3HZ TRP 21 10.111 -2.001 1.051 192 HH2 TRP 21 HH TRP 21 11.227 -3.547 -0.479 193 H GLU 22 H GLU 22 10.729 -4.733 8.254 194 HA GLU 22 HA GLU 22 10.031 -7.164 7.162 195 1HB GLU 22 1HB GLU 22 10.869 -6.144 9.692 196 2HB GLU 22 2HB GLU 22 9.419 -7.079 10.001 197 1HG GLU 22 1HG GLU 22 10.580 -8.864 8.396 198 2HG GLU 22 2HG GLU 22 12.046 -7.995 8.808 199 H ALA 23 H ALA 23 8.067 -4.486 8.309 200 HA ALA 23 HA ALA 23 5.707 -6.141 8.594 201 1HB ALA 23 1HB ALA 23 5.135 -3.334 8.641 202 2HB ALA 23 2HB ALA 23 5.154 -4.482 10.001 203 3HB ALA 23 3HB ALA 23 6.637 -3.604 9.556 204 H VAL 24 H VAL 24 7.488 -4.621 6.094 205 HA VAL 24 HA VAL 24 5.083 -4.625 4.405 206 HB VAL 24 HB VAL 24 5.916 -2.766 3.203 207 1HG1 VAL 24 1HG1 VAL 24 4.927 -1.565 4.813 208 2HG1 VAL 24 2HG1 VAL 24 5.573 -2.613 6.100 209 3HG1 VAL 24 3HG1 VAL 24 6.558 -1.273 5.463 210 1HG2 VAL 24 1HG2 VAL 24 8.242 -1.963 4.676 211 2HG2 VAL 24 2HG2 VAL 24 8.463 -3.642 4.125 212 3HG2 VAL 24 3HG2 VAL 24 8.093 -2.359 2.947 213 H SER 25 H SER 25 7.369 -6.614 5.218 214 HA SER 25 HA SER 25 7.972 -7.285 2.452 215 1HB SER 25 1HB SER 25 10.237 -7.682 2.874 216 2HB SER 25 2HB SER 25 9.941 -6.267 3.864 217 HG SER 25 HG SER 25 10.828 -7.525 5.383 218 H THR 26 H THR 26 6.043 -8.083 4.820 219 HA THR 26 HA THR 26 6.498 -10.966 4.502 220 HB THR 26 HB THR 26 5.833 -11.189 6.942 221 HG1 THR 26 1HG THR 26 6.308 -8.298 6.741 222 1HG2 THR 26 1HG2 THR 26 7.934 -10.133 7.927 223 2HG2 THR 26 2HG2 THR 26 8.254 -11.186 6.528 224 3HG2 THR 26 3HG2 THR 26 8.254 -9.418 6.329 225 H SER 27 H SER 27 4.503 -12.262 4.972 226 HA SER 27 HA SER 27 2.381 -11.032 3.562 227 1HB SER 27 1HB SER 27 2.555 -13.739 4.959 228 2HB SER 27 2HB SER 27 1.250 -13.251 3.896 229 HG SER 27 HG SER 27 3.746 -14.232 3.255 230 H GLU 28 H GLU 28 3.041 -12.056 6.955 231 HA GLU 28 HA GLU 28 0.429 -11.432 7.824 232 1HB GLU 28 1HB GLU 28 2.780 -12.676 8.895 233 2HB GLU 28 2HB GLU 28 2.347 -11.378 9.990 234 1HG GLU 28 1HG GLU 28 -0.131 -12.548 9.373 235 2HG GLU 28 2HG GLU 28 0.951 -13.925 9.461 236 H GLY 29 H GLY 29 3.441 -9.650 7.350 237 1HA GLY 29 1HA GLY 29 2.776 -7.460 9.080 238 2HA GLY 29 2HA GLY 29 4.073 -7.545 7.904 239 H LEU 30 H LEU 30 2.505 -8.217 5.556 240 HA LEU 30 HA LEU 30 1.625 -5.597 4.893 241 1HB LEU 30 1HB LEU 30 2.188 -8.129 3.544 242 2HB LEU 30 2HB LEU 30 0.821 -7.275 2.856 243 HG LEU 30 HG LEU 30 3.117 -5.519 3.340 244 1HD1 LEU 30 1HD1 LEU 30 4.792 -6.584 2.337 245 2HD1 LEU 30 2HD1 LEU 30 3.823 -8.071 2.481 246 3HD1 LEU 30 3HD1 LEU 30 3.754 -7.104 0.988 247 1HD2 LEU 30 1HD2 LEU 30 1.094 -6.054 1.216 248 2HD2 LEU 30 2HD2 LEU 30 1.578 -4.525 1.989 249 3HD2 LEU 30 3HD2 LEU 30 2.614 -5.258 0.741 250 H ALA 31 H ALA 31 -0.045 -8.817 5.129 251 HA ALA 31 HA ALA 31 -2.599 -7.855 4.687 252 1HB ALA 31 1HB ALA 31 -1.735 -10.260 4.761 253 2HB ALA 31 2HB ALA 31 -1.865 -10.152 6.533 254 3HB ALA 31 3HB ALA 31 -3.319 -9.976 5.522 255 H PHE 32 H PHE 32 -0.442 -7.353 7.362 256 HA PHE 32 HA PHE 32 -2.285 -7.127 9.440 257 1HB PHE 32 1HB PHE 32 0.474 -6.885 8.974 258 2HB PHE 32 2HB PHE 32 0.032 -5.223 9.311 259 HD1 PHE 32 1HD PHE 32 1.780 -7.276 10.916 260 HD2 PHE 32 2HD PHE 32 -2.208 -5.879 11.307 261 HE1 PHE 32 1HE PHE 32 1.853 -7.756 13.379 262 HE2 PHE 32 2HE PHE 32 -2.135 -6.359 13.769 263 HZ PHE 32 HZ PHE 32 -0.106 -7.292 14.776 264 H TRP 33 H TRP 33 -1.590 -5.058 6.681 265 HA TRP 33 HA TRP 33 -3.488 -3.112 7.776 266 1HB TRP 33 1HB TRP 33 -2.136 -1.290 6.788 267 2HB TRP 33 2HB TRP 33 -1.390 -2.079 8.164 268 HD1 TRP 33 HD TRP 33 0.802 -3.669 7.604 269 HE1 TRP 33 1HE TRP 33 2.580 -3.686 5.654 270 HE3 TRP 33 3HE TRP 33 -1.943 -0.864 4.372 271 HZ2 TRP 33 2HZ TRP 33 2.637 -2.549 3.037 272 HZ3 TRP 33 3HZ TRP 33 -0.953 -0.363 2.140 273 HH2 TRP 33 HH TRP 33 1.255 -1.156 1.453 274 H PHE 34 H PHE 34 -1.609 -4.322 4.913 275 HA PHE 34 HA PHE 34 -3.407 -3.262 3.026 276 1HB PHE 34 1HB PHE 34 -1.113 -3.856 2.423 277 2HB PHE 34 2HB PHE 34 -1.269 -5.454 3.126 278 HD1 PHE 34 1HD PHE 34 -0.885 -6.947 1.395 279 HD2 PHE 34 2HD PHE 34 -3.504 -3.675 0.730 280 HE1 PHE 34 1HE PHE 34 -1.479 -7.880 -0.857 281 HE2 PHE 34 2HE PHE 34 -4.099 -4.608 -1.523 282 HZ PHE 34 HZ PHE 34 -3.079 -6.700 -2.290 283 H MET 35 H MET 35 -2.702 -6.771 3.067 284 HA MET 35 HA MET 35 -5.186 -7.590 3.983 285 1HB MET 35 1HB MET 35 -5.006 -6.796 1.123 286 2HB MET 35 2HB MET 35 -5.581 -8.440 1.324 287 1HG MET 35 1HG MET 35 -7.608 -7.738 2.099 288 2HG MET 35 2HG MET 35 -6.873 -6.641 3.252 289 1HE MET 35 1HE MET 35 -6.903 -7.385 -0.321 290 2HE MET 35 2HE MET 35 -8.162 -6.286 -0.934 291 3HE MET 35 3HE MET 35 -6.446 -5.826 -1.047 292 H GLU 36 H GLU 36 -5.538 -9.997 3.571 293 HA GLU 36 HA GLU 36 -3.286 -11.390 4.109 294 1HB GLU 36 1HB GLU 36 -5.935 -12.224 2.885 295 2HB GLU 36 2HB GLU 36 -4.685 -13.409 3.206 296 1HG GLU 36 1HG GLU 36 -4.841 -11.835 5.570 297 2HG GLU 36 2HG GLU 36 -6.504 -12.095 5.083 298 H ASN 37 H ASN 37 -1.772 -12.648 2.923 299 HA ASN 37 HA ASN 37 -2.037 -12.967 0.146 300 1HB ASN 37 1HB ASN 37 -0.047 -11.583 -0.520 301 2HB ASN 37 2HB ASN 37 -1.359 -10.590 0.085 302 1HD2 ASN 37 1HD2 ASN 37 -1.300 -9.879 2.299 303 2HD2 ASN 37 2HD2 ASN 37 0.212 -9.593 3.094 304 H ASP 38 H ASP 38 0.450 -13.639 -0.676 305 HA ASP 38 HA ASP 38 1.581 -15.173 1.529 306 1HB ASP 38 1HB ASP 38 0.262 -16.269 -0.616 307 2HB ASP 38 2HB ASP 38 1.889 -16.203 -1.265 308 H LEU 39 H LEU 39 2.321 -12.484 0.527 309 HA LEU 39 HA LEU 39 4.457 -12.678 -1.304 310 1HB LEU 39 1HB LEU 39 3.184 -10.648 -0.983 311 2HB LEU 39 2HB LEU 39 3.684 -10.550 0.694 312 HG LEU 39 HG LEU 39 5.945 -10.652 -1.180 313 1HD1 LEU 39 1HD1 LEU 39 5.674 -8.357 -2.016 314 2HD1 LEU 39 2HD1 LEU 39 4.407 -9.446 -2.629 315 3HD1 LEU 39 3HD1 LEU 39 4.038 -8.300 -1.318 316 1HD2 LEU 39 1HD2 LEU 39 6.642 -8.674 0.194 317 2HD2 LEU 39 2HD2 LEU 39 5.125 -8.848 1.109 318 3HD2 LEU 39 3HD2 LEU 39 6.329 -10.159 1.124 319 H LYS 40 H LYS 40 6.762 -12.377 -0.870 320 HA LYS 40 HA LYS 40 7.606 -12.891 1.850 321 1HB LYS 40 1HB LYS 40 7.202 -15.068 0.193 322 2HB LYS 40 2HB LYS 40 8.910 -14.740 -0.023 323 1HG LYS 40 1HG LYS 40 9.423 -15.130 2.232 324 2HG LYS 40 2HG LYS 40 7.821 -14.687 2.789 325 1HD LYS 40 1HD LYS 40 7.895 -17.069 0.995 326 2HD LYS 40 2HD LYS 40 8.723 -17.284 2.524 327 1HE LYS 40 1HE LYS 40 6.329 -15.976 3.239 328 2HE LYS 40 2HE LYS 40 5.834 -17.090 1.980 329 1HZ LYS 40 1HZ LYS 40 7.195 -17.724 4.492 330 2HZ LYS 40 2HZ LYS 40 5.761 -18.286 3.948 331 3HZ LYS 40 3HZ LYS 40 7.151 -18.789 3.254 332 H ALA 41 H ALA 41 7.671 -10.723 -0.268 333 HA ALA 41 HA ALA 41 9.121 -9.362 -1.275 334 1HB ALA 41 1HB ALA 41 11.094 -8.779 0.224 335 2HB ALA 41 2HB ALA 41 9.495 -8.703 1.002 336 3HB ALA 41 3HB ALA 41 10.565 -10.095 1.298 337 H GLU 42 H GLU 42 9.340 -11.060 -3.027 338 HA GLU 42 HA GLU 42 12.145 -11.588 -3.335 339 1HB GLU 42 1HB GLU 42 10.551 -13.646 -2.365 340 2HB GLU 42 2HB GLU 42 10.525 -13.951 -4.090 341 1HG GLU 42 1HG GLU 42 12.964 -14.025 -4.193 342 2HG GLU 42 2HG GLU 42 13.108 -13.451 -2.544 343 H THR 43 H THR 43 12.540 -10.573 -5.254 344 HA THR 43 HA THR 43 10.618 -9.888 -7.115 345 HB THR 43 HB THR 43 13.215 -9.264 -6.682 346 HG1 THR 43 1HG THR 43 11.789 -9.398 -9.246 347 1HG2 THR 43 1HG2 THR 43 14.650 -10.104 -8.438 348 2HG2 THR 43 2HG2 THR 43 13.932 -11.547 -7.684 349 3HG2 THR 43 3HG2 THR 43 13.297 -10.943 -9.233 350 H GLY 44 H GLY 44 9.736 -10.763 -8.946 351 1HA GLY 44 1HA GLY 44 9.170 -12.340 -10.450 352 2HA GLY 44 2HA GLY 44 10.728 -13.099 -10.195 353 H HIS 45 H HIS 45 8.217 -12.464 -7.684 354 HA HIS 45 HA HIS 45 8.027 -15.370 -7.364 355 1HB HIS 45 1HB HIS 45 9.082 -14.347 -5.458 356 2HB HIS 45 2HB HIS 45 7.825 -13.133 -5.336 357 HD1 HIS 45 1HD HIS 45 7.495 -16.949 -5.622 358 HD2 HIS 45 2HD HIS 45 6.474 -13.791 -3.056 359 HE1 HIS 45 1HE HIS 45 6.103 -17.974 -3.744 360 H HIS 46 H HIS 46 5.829 -16.039 -6.322 361 HA HIS 46 HA HIS 46 3.707 -14.340 -7.391 362 1HB HIS 46 1HB HIS 46 3.563 -15.840 -9.070 363 2HB HIS 46 2HB HIS 46 4.426 -17.085 -8.188 364 HD1 HIS 46 1HD HIS 46 2.988 -18.590 -6.515 365 HD2 HIS 46 2HD HIS 46 0.779 -16.017 -8.985 366 HE1 HIS 46 1HE HIS 46 0.572 -19.405 -6.418 367 H PHE 47 H PHE 47 1.684 -14.485 -6.249 368 HA PHE 47 HA PHE 47 1.464 -16.258 -4.026 369 1HB PHE 47 1HB PHE 47 1.342 -14.287 -2.387 370 2HB PHE 47 2HB PHE 47 2.949 -14.557 -3.031 371 HD1 PHE 47 1HD PHE 47 3.497 -13.178 -5.228 372 HD2 PHE 47 2HD PHE 47 0.497 -12.138 -2.412 373 HE1 PHE 47 1HE PHE 47 3.581 -10.797 -6.017 374 HE2 PHE 47 2HE PHE 47 0.581 -9.757 -3.202 375 HZ PHE 47 HZ PHE 47 2.123 -9.115 -4.995 376 H HIS 48 H HIS 48 -0.680 -16.276 -3.140 377 HA HIS 48 HA HIS 48 -2.593 -15.107 -4.950 378 1HB HIS 48 1HB HIS 48 -2.589 -17.251 -2.882 379 2HB HIS 48 2HB HIS 48 -4.109 -16.424 -3.159 380 HD1 HIS 48 1HD HIS 48 -1.730 -18.853 -4.713 381 HD2 HIS 48 2HD HIS 48 -5.232 -16.800 -5.771 382 HE1 HIS 48 1HE HIS 48 -2.603 -19.974 -6.832 383 H LEU 49 H LEU 49 -4.724 -14.255 -3.775 384 HA LEU 49 HA LEU 49 -4.033 -12.700 -1.419 385 1HB LEU 49 1HB LEU 49 -3.458 -11.413 -3.544 386 2HB LEU 49 2HB LEU 49 -5.182 -11.348 -3.852 387 HG LEU 49 HG LEU 49 -5.233 -10.371 -1.373 388 1HD1 LEU 49 1HD1 LEU 49 -2.580 -10.710 -1.495 389 2HD1 LEU 49 2HD1 LEU 49 -2.685 -9.071 -2.182 390 3HD1 LEU 49 3HD1 LEU 49 -3.350 -9.402 -0.565 391 1HD2 LEU 49 1HD2 LEU 49 -6.182 -9.176 -3.183 392 2HD2 LEU 49 2HD2 LEU 49 -5.022 -8.071 -2.406 393 3HD2 LEU 49 3HD2 LEU 49 -4.592 -8.888 -3.928 394 H GLN 50 H GLN 50 -5.753 -12.485 -0.025 395 HA GLN 50 HA GLN 50 -8.254 -13.582 -1.046 396 1HB GLN 50 1HB GLN 50 -7.061 -13.601 1.757 397 2HB GLN 50 2HB GLN 50 -8.716 -14.072 1.425 398 1HG GLN 50 1HG GLN 50 -6.983 -15.434 -0.456 399 2HG GLN 50 2HG GLN 50 -6.335 -15.660 1.156 400 1HE2 GLN 50 1HE2 GLN 50 -9.072 -16.124 -0.960 401 2HE2 GLN 50 2HE2 GLN 50 -9.915 -17.311 -0.021 402 H SER 51 H SER 51 -8.804 -11.409 -1.889 403 HA SER 51 HA SER 51 -9.138 -9.370 0.105 404 1HB SER 51 1HB SER 51 -9.090 -7.917 -1.647 405 2HB SER 51 2HB SER 51 -8.511 -9.290 -2.569 406 HG SER 51 HG SER 51 -10.776 -9.759 -3.119 407 HA PRO 52 HA PRO 52 -13.443 -9.876 0.547 408 1HB PRO 52 1HB PRO 52 -14.493 -7.354 0.501 409 2HB PRO 52 2HB PRO 52 -13.676 -8.026 1.898 410 1HG PRO 52 1HG PRO 52 -12.692 -6.020 -0.038 411 2HG PRO 52 2HG PRO 52 -12.089 -6.386 1.566 412 1HD PRO 52 1HD PRO 52 -10.919 -7.181 -0.929 413 2HD PRO 52 2HD PRO 52 -10.383 -7.643 0.674 414 H PHE 53 H PHE 53 -12.289 -8.693 -2.351 415 HA PHE 53 HA PHE 53 -14.941 -9.070 -3.550 416 1HB PHE 53 1HB PHE 53 -13.183 -6.927 -3.666 417 2HB PHE 53 2HB PHE 53 -12.601 -7.862 -5.029 418 HD1 PHE 53 1HD PHE 53 -14.789 -5.334 -4.095 419 HD2 PHE 53 2HD PHE 53 -14.582 -8.735 -6.624 420 HE1 PHE 53 1HE PHE 53 -16.612 -4.377 -5.530 421 HE2 PHE 53 2HE PHE 53 -16.405 -7.778 -8.060 422 HZ PHE 53 HZ PHE 53 -17.398 -5.611 -7.495 423 H GLY 54 H GLY 54 -13.514 -11.387 -2.843 424 1HA GLY 54 1HA GLY 54 -13.153 -13.376 -3.902 425 2HA GLY 54 2HA GLY 54 -13.135 -12.565 -5.455 426 HA PRO 55 HA PRO 55 -8.816 -13.342 -3.818 427 1HB PRO 55 1HB PRO 55 -8.253 -15.896 -4.615 428 2HB PRO 55 2HB PRO 55 -8.741 -15.487 -2.982 429 1HG PRO 55 1HG PRO 55 -10.321 -16.780 -5.120 430 2HG PRO 55 2HG PRO 55 -10.628 -16.747 -3.395 431 1HD PRO 55 1HD PRO 55 -11.958 -15.191 -5.404 432 2HD PRO 55 2HD PRO 55 -12.183 -15.076 -3.670 433 H SER 56 H SER 56 -7.032 -12.749 -4.974 434 HA SER 56 HA SER 56 -7.258 -13.315 -7.809 435 1HB SER 56 1HB SER 56 -7.607 -10.710 -6.588 436 2HB SER 56 2HB SER 56 -6.145 -10.687 -7.553 437 HG SER 56 HG SER 56 -8.575 -11.802 -8.620 438 HA PRO 57 HA PRO 57 -3.014 -14.106 -7.230 439 1HB PRO 57 1HB PRO 57 -2.153 -14.180 -9.823 440 2HB PRO 57 2HB PRO 57 -2.957 -15.527 -9.041 441 1HG PRO 57 1HG PRO 57 -4.033 -13.633 -11.040 442 2HG PRO 57 2HG PRO 57 -4.652 -15.205 -10.572 443 1HD PRO 57 1HD PRO 57 -5.689 -12.649 -9.785 444 2HD PRO 57 2HD PRO 57 -6.234 -14.218 -9.227 445 H CYS 58 H CYS 58 -0.821 -13.298 -7.328 446 HA CYS 58 HA CYS 58 -0.696 -10.593 -8.363 447 1HB CYS 58 1HB CYS 58 -0.138 -11.253 -5.452 448 2HB CYS 58 2HB CYS 58 0.303 -9.748 -6.233 449 HG CYS 58 HG CYS 58 -2.710 -11.113 -6.017 450 H GLN 59 H GLN 59 1.652 -9.852 -8.426 451 HA GLN 59 HA GLN 59 3.571 -11.943 -8.008 452 1HB GLN 59 1HB GLN 59 2.862 -12.507 -10.259 453 2HB GLN 59 2HB GLN 59 2.949 -10.835 -10.776 454 1HG GLN 59 1HG GLN 59 5.215 -10.921 -11.101 455 2HG GLN 59 2HG GLN 59 5.493 -11.809 -9.616 456 1HE2 GLN 59 1HE2 GLN 59 6.216 -13.776 -9.820 457 2HE2 GLN 59 2HE2 GLN 59 6.000 -14.846 -11.165 458 H VAL 60 H VAL 60 5.541 -11.079 -7.385 459 HA VAL 60 HA VAL 60 5.652 -8.230 -7.107 460 HB VAL 60 HB VAL 60 7.734 -10.329 -6.479 461 1HG1 VAL 60 1HG1 VAL 60 8.977 -8.681 -5.624 462 2HG1 VAL 60 2HG1 VAL 60 7.855 -7.528 -6.386 463 3HG1 VAL 60 3HG1 VAL 60 7.598 -8.037 -4.700 464 1HG2 VAL 60 1HG2 VAL 60 6.784 -10.192 -4.141 465 2HG2 VAL 60 2HG2 VAL 60 5.387 -9.335 -4.836 466 3HG2 VAL 60 3HG2 VAL 60 5.747 -11.005 -5.337 467 H THR 61 H THR 61 6.994 -6.774 -8.191 468 HA THR 61 HA THR 61 8.278 -7.889 -10.595 469 HB THR 61 HB THR 61 7.825 -5.653 -11.571 470 HG1 THR 61 1HG THR 61 6.713 -4.136 -10.100 471 1HG2 THR 61 1HG2 THR 61 5.582 -7.170 -10.247 472 2HG2 THR 61 2HG2 THR 61 5.213 -5.534 -10.843 473 3HG2 THR 61 3HG2 THR 61 5.814 -6.776 -11.967 474 H ASP 62 H ASP 62 8.698 -5.868 -7.692 475 HA ASP 62 HA ASP 62 11.520 -6.186 -8.036 476 1HB ASP 62 1HB ASP 62 10.162 -3.690 -8.683 477 2HB ASP 62 2HB ASP 62 11.200 -3.440 -7.293 478 H VAL 63 H VAL 63 12.487 -6.326 -5.957 479 HA VAL 63 HA VAL 63 11.347 -5.030 -3.700 480 HB VAL 63 HB VAL 63 9.711 -6.762 -3.830 481 1HG1 VAL 63 1HG1 VAL 63 12.008 -8.747 -3.941 482 2HG1 VAL 63 2HG1 VAL 63 10.278 -9.154 -3.845 483 3HG1 VAL 63 3HG1 VAL 63 10.920 -8.327 -5.285 484 1HG2 VAL 63 1HG2 VAL 63 11.425 -7.995 -1.739 485 2HG2 VAL 63 2HG2 VAL 63 11.160 -6.240 -1.609 486 3HG2 VAL 63 3HG2 VAL 63 9.769 -7.351 -1.638 487 H GLU 64 H GLU 64 13.266 -4.267 -2.949 488 HA GLU 64 HA GLU 64 15.175 -6.215 -2.111 489 1HB GLU 64 1HB GLU 64 15.852 -5.786 -4.479 490 2HB GLU 64 2HB GLU 64 15.994 -4.075 -4.126 491 1HG GLU 64 1HG GLU 64 18.124 -4.427 -3.441 492 2HG GLU 64 2HG GLU 64 17.511 -5.381 -2.105 493 H ARG 65 H ARG 65 15.286 -5.584 0.009 494 HA ARG 65 HA ARG 65 15.548 -4.360 1.769 495 1HB ARG 65 1HB ARG 65 17.375 -3.209 -0.192 496 2HB ARG 65 2HB ARG 65 16.802 -1.942 0.874 497 1HG ARG 65 1HG ARG 65 18.540 -2.695 2.193 498 2HG ARG 65 2HG ARG 65 17.314 -3.814 2.757 499 1HD ARG 65 1HD ARG 65 18.464 -5.592 1.929 500 2HD ARG 65 2HD ARG 65 18.527 -4.874 0.332 501 HE ARG 65 HE ARG 65 20.616 -4.741 2.400 502 1HH1 ARG 65 2HH2 ARG 65 19.389 -3.358 -0.595 503 2HH1 ARG 65 1HH2 ARG 65 20.911 -2.668 -1.049 504 1HH2 ARG 65 2HH1 ARG 65 22.624 -3.830 1.801 505 2HH2 ARG 65 1HH1 ARG 65 22.764 -2.938 0.323 506 HA PRO 66 HA PRO 66 12.536 -1.204 1.933 507 1HB PRO 66 1HB PRO 66 13.321 0.436 3.973 508 2HB PRO 66 2HB PRO 66 12.546 -1.114 4.233 509 1HG PRO 66 1HG PRO 66 15.391 -0.384 4.570 510 2HG PRO 66 2HG PRO 66 14.529 -1.767 5.214 511 1HD PRO 66 1HD PRO 66 16.332 -1.756 2.983 512 2HD PRO 66 2HD PRO 66 15.381 -3.112 3.555 513 H ILE 67 H ILE 67 13.497 -0.678 -0.314 514 HA ILE 67 HA ILE 67 13.838 2.210 -0.234 515 HB ILE 67 HB ILE 67 15.665 1.944 -1.985 516 1HG1 ILE 67 1HG1 ILE 67 16.977 -0.313 -1.188 517 2HG1 ILE 67 2HG1 ILE 67 15.316 -0.869 -1.139 518 1HG2 ILE 67 1HG2 ILE 67 15.717 2.194 0.805 519 2HG2 ILE 67 2HG2 ILE 67 17.002 1.028 0.410 520 3HG2 ILE 67 3HG2 ILE 67 16.996 2.638 -0.350 521 1HD1 ILE 67 1HD1 ILE 67 15.929 0.752 -3.542 522 2HD1 ILE 67 2HD1 ILE 67 16.882 -0.746 -3.421 523 3HD1 ILE 67 3HD1 ILE 67 15.104 -0.820 -3.411 524 H LYS 68 H LYS 68 13.495 -0.794 -2.224 525 HA LYS 68 HA LYS 68 11.490 0.663 -3.784 526 1HB LYS 68 1HB LYS 68 13.558 0.696 -5.084 527 2HB LYS 68 2HB LYS 68 13.728 -1.040 -4.919 528 1HG LYS 68 1HG LYS 68 12.434 -1.326 -6.756 529 2HG LYS 68 2HG LYS 68 11.082 -0.610 -5.902 530 1HD LYS 68 1HD LYS 68 11.238 1.339 -7.073 531 2HD LYS 68 2HD LYS 68 12.968 1.449 -6.816 532 1HE LYS 68 1HE LYS 68 12.496 -0.731 -8.648 533 2HE LYS 68 2HE LYS 68 11.565 0.644 -9.208 534 1HZ LYS 68 1HZ LYS 68 13.464 1.392 -10.005 535 2HZ LYS 68 2HZ LYS 68 13.962 1.686 -8.477 536 3HZ LYS 68 3HZ LYS 68 14.361 0.282 -9.210 537 H LEU 69 H LEU 69 9.605 -0.454 -4.069 538 HA LEU 69 HA LEU 69 9.610 -3.321 -3.912 539 1HB LEU 69 1HB LEU 69 9.657 -2.583 -1.530 540 2HB LEU 69 2HB LEU 69 8.139 -1.750 -1.794 541 HG LEU 69 HG LEU 69 7.199 -4.034 -2.518 542 1HD1 LEU 69 1HD1 LEU 69 9.426 -5.197 -0.869 543 2HD1 LEU 69 2HD1 LEU 69 8.303 -6.000 -1.993 544 3HD1 LEU 69 3HD1 LEU 69 9.617 -4.979 -2.625 545 1HD2 LEU 69 1HD2 LEU 69 7.363 -2.728 -0.053 546 2HD2 LEU 69 2HD2 LEU 69 6.216 -4.005 -0.526 547 3HD2 LEU 69 3HD2 LEU 69 7.732 -4.432 0.303 548 H SER 70 H SER 70 8.103 -4.073 -5.317 549 HA SER 70 HA SER 70 5.764 -2.443 -5.753 550 1HB SER 70 1HB SER 70 7.564 -1.784 -7.450 551 2HB SER 70 2HB SER 70 7.457 -3.410 -8.096 552 HG SER 70 HG SER 70 5.019 -2.874 -8.235 553 H PHE 71 H PHE 71 3.962 -3.681 -6.649 554 HA PHE 71 HA PHE 71 4.400 -6.456 -7.247 555 1HB PHE 71 1HB PHE 71 3.186 -7.295 -5.333 556 2HB PHE 71 2HB PHE 71 4.249 -6.081 -4.649 557 HD1 PHE 71 1HD PHE 71 3.367 -4.321 -3.394 558 HD2 PHE 71 2HD PHE 71 0.784 -6.559 -5.909 559 HE1 PHE 71 1HE PHE 71 1.385 -3.139 -2.409 560 HE2 PHE 71 2HE PHE 71 -1.199 -5.377 -4.924 561 HZ PHE 71 HZ PHE 71 -0.875 -3.681 -3.185 562 H THR 72 H THR 72 2.770 -7.272 -8.565 563 HA THR 72 HA THR 72 0.766 -5.329 -9.380 564 HB THR 72 HB THR 72 0.451 -7.065 -11.224 565 HG1 THR 72 1HG THR 72 1.436 -9.003 -10.793 566 1HG2 THR 72 1HG2 THR 72 2.147 -5.304 -11.626 567 2HG2 THR 72 2HG2 THR 72 3.332 -6.198 -10.645 568 3HG2 THR 72 3HG2 THR 72 2.774 -6.870 -12.196 569 H TRP 73 H TRP 73 -1.498 -5.817 -9.548 570 HA TRP 73 HA TRP 73 -2.431 -8.135 -8.094 571 1HB TRP 73 1HB TRP 73 -2.043 -6.596 -6.272 572 2HB TRP 73 2HB TRP 73 -2.930 -5.328 -7.094 573 HD1 TRP 73 HD TRP 73 -4.385 -8.897 -7.008 574 HE1 TRP 73 1HE TRP 73 -6.595 -8.994 -5.568 575 HE3 TRP 73 3HE TRP 73 -4.042 -4.156 -5.200 576 HZ2 TRP 73 2HZ TRP 73 -7.921 -7.120 -3.874 577 HZ3 TRP 73 3HZ TRP 73 -5.836 -3.368 -3.659 578 HH2 TRP 73 HH TRP 73 -7.727 -4.766 -2.992 579 H ASP 74 H ASP 74 -4.298 -8.854 -9.080 580 HA ASP 74 HA ASP 74 -6.183 -8.797 -10.200 581 1HB ASP 74 1HB ASP 74 -6.244 -6.260 -9.339 582 2HB ASP 74 2HB ASP 74 -5.891 -5.901 -11.017 583 H THR 75 H THR 75 -6.909 -8.323 -12.648 584 HA THR 75 HA THR 75 -4.489 -8.160 -14.321 585 HB THR 75 HB THR 75 -5.609 -9.926 -15.737 586 HG1 THR 75 1HG THR 75 -7.554 -10.834 -14.777 587 1HG2 THR 75 1HG2 THR 75 -5.826 -11.263 -13.107 588 2HG2 THR 75 2HG2 THR 75 -4.731 -11.623 -14.463 589 3HG2 THR 75 3HG2 THR 75 -4.305 -10.357 -13.287 590 H ASP 76 H ASP 76 -5.654 -5.806 -13.800 591 HA ASP 76 HA ASP 76 -7.249 -5.393 -16.205 592 1HB ASP 76 1HB ASP 76 -8.145 -4.994 -13.638 593 2HB ASP 76 2HB ASP 76 -7.455 -3.417 -13.966 594 H GLY 77 H GLY 77 -5.445 -3.514 -13.640 595 1HA GLY 77 1HA GLY 77 -3.244 -2.731 -15.016 596 2HA GLY 77 2HA GLY 77 -4.471 -1.611 -15.572 597 H TRP 78 H TRP 78 -4.114 -3.161 -12.317 598 HA TRP 78 HA TRP 78 -3.837 -0.446 -11.219 599 1HB TRP 78 1HB TRP 78 -5.276 -2.867 -10.135 600 2HB TRP 78 2HB TRP 78 -4.863 -1.479 -9.147 601 HD1 TRP 78 HD TRP 78 -6.335 -1.348 -12.761 602 HE1 TRP 78 1HE TRP 78 -8.603 0.001 -12.789 603 HE3 TRP 78 3HE TRP 78 -6.578 -0.630 -7.733 604 HZ2 TRP 78 2HZ TRP 78 -10.208 1.190 -10.750 605 HZ3 TRP 78 3HZ TRP 78 -8.529 0.635 -6.833 606 HH2 TRP 78 HH TRP 78 -10.305 1.532 -8.254 607 H SER 79 H SER 79 -1.711 -0.148 -10.680 608 HA SER 79 HA SER 79 -0.423 -2.395 -9.345 609 1HB SER 79 1HB SER 79 1.278 -0.501 -10.932 610 2HB SER 79 2HB SER 79 1.516 -2.207 -10.609 611 HG SER 79 HG SER 79 0.768 -2.494 -12.594 612 H VAL 80 H VAL 80 0.920 -1.831 -7.551 613 HA VAL 80 HA VAL 80 0.988 1.032 -6.913 614 HB VAL 80 HB VAL 80 -0.826 -0.010 -5.677 615 1HG1 VAL 80 1HG1 VAL 80 0.776 -1.698 -3.917 616 2HG1 VAL 80 2HG1 VAL 80 -0.744 -2.056 -4.772 617 3HG1 VAL 80 3HG1 VAL 80 0.815 -2.263 -5.605 618 1HG2 VAL 80 1HG2 VAL 80 -0.312 1.390 -4.021 619 2HG2 VAL 80 2HG2 VAL 80 0.826 0.199 -3.347 620 3HG2 VAL 80 3HG2 VAL 80 1.388 1.387 -4.548 621 H THR 81 H THR 81 2.871 1.740 -5.815 622 HA THR 81 HA THR 81 4.935 -0.311 -5.420 623 HB THR 81 HB THR 81 5.365 2.371 -6.830 624 HG1 THR 81 1HG THR 81 4.032 0.895 -8.089 625 1HG2 THR 81 1HG2 THR 81 7.393 1.017 -7.700 626 2HG2 THR 81 2HG2 THR 81 7.476 1.522 -5.995 627 3HG2 THR 81 3HG2 THR 81 7.036 -0.153 -6.407 628 H PHE 82 H PHE 82 6.233 -0.046 -3.649 629 HA PHE 82 HA PHE 82 5.545 2.285 -2.004 630 1HB PHE 82 1HB PHE 82 6.674 -0.489 -1.289 631 2HB PHE 82 2HB PHE 82 6.196 0.729 -0.123 632 HD1 PHE 82 1HD PHE 82 3.624 1.655 -1.045 633 HD2 PHE 82 2HD PHE 82 5.226 -2.274 -1.118 634 HE1 PHE 82 1HE PHE 82 1.300 0.707 -1.008 635 HE2 PHE 82 2HE PHE 82 2.902 -3.222 -1.081 636 HZ PHE 82 HZ PHE 82 0.967 -1.721 -1.026 637 H HIS 83 H HIS 83 7.213 3.461 -0.963 638 HA HIS 83 HA HIS 83 9.927 2.650 -1.666 639 1HB HIS 83 1HB HIS 83 8.566 5.247 -2.311 640 2HB HIS 83 2HB HIS 83 10.282 5.242 -1.958 641 HD1 HIS 83 1HD HIS 83 11.796 3.635 -3.563 642 HD2 HIS 83 2HD HIS 83 7.907 4.494 -4.881 643 HE1 HIS 83 1HE HIS 83 11.744 3.073 -6.052 644 H LEU 84 H LEU 84 10.965 2.321 0.231 645 HA LEU 84 HA LEU 84 10.112 3.940 2.515 646 1HB LEU 84 1HB LEU 84 11.494 1.273 2.279 647 2HB LEU 84 2HB LEU 84 11.429 2.168 3.785 648 HG LEU 84 HG LEU 84 8.787 2.156 3.091 649 1HD1 LEU 84 1HD1 LEU 84 8.157 0.466 1.780 650 2HD1 LEU 84 2HD1 LEU 84 9.861 0.375 1.273 651 3HD1 LEU 84 3HD1 LEU 84 9.262 -0.682 2.574 652 1HD2 LEU 84 1HD2 LEU 84 8.648 1.244 5.111 653 2HD2 LEU 84 2HD2 LEU 84 9.418 -0.261 4.553 654 3HD2 LEU 84 3HD2 LEU 84 10.423 1.101 5.103 655 H LYS 85 H LYS 85 11.845 4.728 4.005 656 HA LYS 85 HA LYS 85 14.517 4.816 3.159 657 1HB LYS 85 1HB LYS 85 14.526 7.332 2.657 658 2HB LYS 85 2HB LYS 85 14.001 6.243 1.389 659 1HG LYS 85 1HG LYS 85 11.946 7.203 1.322 660 2HG LYS 85 2HG LYS 85 11.713 6.949 3.040 661 1HD LYS 85 1HD LYS 85 11.602 9.334 2.668 662 2HD LYS 85 2HD LYS 85 13.125 9.019 3.476 663 1HE LYS 85 1HE LYS 85 14.213 8.936 1.139 664 2HE LYS 85 2HE LYS 85 12.696 9.539 0.500 665 1HZ LYS 85 1HZ LYS 85 12.916 11.491 1.754 666 2HZ LYS 85 2HZ LYS 85 14.146 10.903 2.654 667 3HZ LYS 85 3HZ LYS 85 14.381 11.246 1.075 668 H GLU 86 H GLU 86 15.537 4.853 5.081 669 HA GLU 86 HA GLU 86 14.123 5.750 7.364 670 1HB GLU 86 1HB GLU 86 15.953 3.838 7.053 671 2HB GLU 86 2HB GLU 86 17.079 5.136 7.396 672 1HG GLU 86 1HG GLU 86 14.949 5.356 9.311 673 2HG GLU 86 2HG GLU 86 15.399 3.663 9.245 674 H GLU 87 H GLU 87 14.195 7.737 8.359 675 HA GLU 87 HA GLU 87 16.245 9.557 7.355 676 1HB GLU 87 1HB GLU 87 13.368 9.808 7.401 677 2HB GLU 87 2HB GLU 87 14.040 11.024 8.469 678 1HG GLU 87 1HG GLU 87 15.229 10.598 5.708 679 2HG GLU 87 2HG GLU 87 13.781 11.566 5.902 680 H GLU 88 H GLU 88 15.911 11.665 9.183 681 HA GLU 88 HA GLU 88 17.266 10.585 11.393 682 1HB GLU 88 1HB GLU 88 16.431 13.288 10.441 683 2HB GLU 88 2HB GLU 88 16.669 13.143 12.171 684 1HG GLU 88 1HG GLU 88 18.846 11.767 10.867 685 2HG GLU 88 2HG GLU 88 18.671 13.333 10.101 686 H ASN 89 H ASN 89 14.119 12.409 11.160 687 HA ASN 89 HA ASN 89 13.319 12.133 13.702 688 1HB ASN 89 1HB ASN 89 12.062 12.632 11.116 689 2HB ASN 89 2HB ASN 89 10.990 11.642 12.088 690 1HD2 ASN 89 1HD2 ASN 89 10.038 13.990 11.529 691 2HD2 ASN 89 2HD2 ASN 89 10.104 15.107 12.851 692 H GLY 90 H GLY 90 12.930 9.803 10.949 693 1HA GLY 90 1HA GLY 90 13.099 7.506 12.543 694 2HA GLY 90 2HA GLY 90 11.401 7.873 12.306 695 H THR 91 H THR 91 10.618 6.529 10.734 696 HA THR 91 HA THR 91 12.288 6.185 8.332 697 HB THR 91 HB THR 91 10.138 4.391 9.578 698 HG1 THR 91 1HG THR 91 13.055 4.287 9.246 699 1HG2 THR 91 1HG2 THR 91 10.602 2.810 7.885 700 2HG2 THR 91 2HG2 THR 91 10.653 4.328 6.957 701 3HG2 THR 91 3HG2 THR 91 12.168 3.558 7.485 702 H ILE 92 H ILE 92 11.511 6.695 6.335 703 HA ILE 92 HA ILE 92 8.905 8.029 6.363 704 HB ILE 92 HB ILE 92 11.214 8.276 4.432 705 1HG1 ILE 92 1HG1 ILE 92 11.557 9.149 6.804 706 2HG1 ILE 92 2HG1 ILE 92 11.823 10.276 5.488 707 1HG2 ILE 92 1HG2 ILE 92 9.247 8.744 3.218 708 2HG2 ILE 92 2HG2 ILE 92 8.521 9.637 4.576 709 3HG2 ILE 92 3HG2 ILE 92 9.908 10.326 3.698 710 1HD1 ILE 92 1HD1 ILE 92 10.485 11.289 7.338 711 2HD1 ILE 92 2HD1 ILE 92 9.577 11.249 5.808 712 3HD1 ILE 92 3HD1 ILE 92 9.227 10.056 7.082 713 H PHE 93 H PHE 93 7.204 7.224 5.217 714 HA PHE 93 HA PHE 93 7.818 4.946 3.467 715 1HB PHE 93 1HB PHE 93 6.601 4.509 5.695 716 2HB PHE 93 2HB PHE 93 5.324 5.581 5.155 717 HD1 PHE 93 1HD PHE 93 4.130 4.945 2.946 718 HD2 PHE 93 2HD PHE 93 6.497 2.237 5.197 719 HE1 PHE 93 1HE PHE 93 2.978 3.013 1.832 720 HE2 PHE 93 2HE PHE 93 5.345 0.305 4.083 721 HZ PHE 93 HZ PHE 93 3.600 0.716 2.414 722 H THR 94 H THR 94 7.387 5.337 1.352 723 HA THR 94 HA THR 94 5.324 7.357 0.766 724 HB THR 94 HB THR 94 7.807 6.526 -0.828 725 HG1 THR 94 1HG THR 94 8.628 8.437 0.129 726 1HG2 THR 94 1HG2 THR 94 5.921 7.483 -2.224 727 2HG2 THR 94 2HG2 THR 94 5.900 8.902 -1.150 728 3HG2 THR 94 3HG2 THR 94 7.335 8.561 -2.146 729 H ILE 95 H ILE 95 3.694 6.908 -0.677 730 HA ILE 95 HA ILE 95 3.686 4.148 -1.684 731 HB ILE 95 HB ILE 95 2.111 3.982 -0.054 732 1HG1 ILE 95 1HG1 ILE 95 -0.150 4.192 -1.073 733 2HG1 ILE 95 2HG1 ILE 95 0.548 5.093 -2.404 734 1HG2 ILE 95 1HG2 ILE 95 1.464 6.897 -0.527 735 2HG2 ILE 95 2HG2 ILE 95 0.496 5.836 0.524 736 3HG2 ILE 95 3HG2 ILE 95 2.207 6.147 0.906 737 1HD1 ILE 95 1HD1 ILE 95 1.021 3.135 -3.432 738 2HD1 ILE 95 2HD1 ILE 95 2.157 2.752 -2.116 739 3HD1 ILE 95 3HD1 ILE 95 0.461 2.223 -2.009 740 H VAL 96 H VAL 96 2.809 3.822 -3.780 741 HA VAL 96 HA VAL 96 2.028 6.232 -5.221 742 HB VAL 96 HB VAL 96 4.180 4.348 -6.198 743 1HG1 VAL 96 1HG1 VAL 96 2.942 6.873 -7.319 744 2HG1 VAL 96 2HG1 VAL 96 4.519 6.253 -7.866 745 3HG1 VAL 96 3HG1 VAL 96 3.054 5.263 -8.070 746 1HG2 VAL 96 1HG2 VAL 96 4.333 6.927 -4.677 747 2HG2 VAL 96 2HG2 VAL 96 5.359 5.476 -4.575 748 3HG2 VAL 96 3HG2 VAL 96 5.545 6.602 -5.941 749 H HIS 97 H HIS 97 0.049 5.752 -6.013 750 HA HIS 97 HA HIS 97 -0.293 3.048 -7.085 751 1HB HIS 97 1HB HIS 97 -1.438 3.419 -4.870 752 2HB HIS 97 2HB HIS 97 -2.426 4.643 -5.642 753 HD1 HIS 97 1HD HIS 97 -4.683 3.502 -5.628 754 HD2 HIS 97 2HD HIS 97 -1.655 1.083 -7.233 755 HE1 HIS 97 1HE HIS 97 -5.846 1.441 -6.584 756 H SER 98 H SER 98 -0.943 2.982 -9.190 757 HA SER 98 HA SER 98 -2.312 5.317 -10.214 758 1HB SER 98 1HB SER 98 0.169 4.089 -11.497 759 2HB SER 98 2HB SER 98 -0.849 5.293 -12.262 760 HG SER 98 HG SER 98 -0.108 6.862 -10.923 761 H GLY 99 H GLY 99 -2.983 4.755 -12.676 762 1HA GLY 99 1HA GLY 99 -3.476 2.942 -14.178 763 2HA GLY 99 2HA GLY 99 -3.717 1.894 -12.794 764 H TRP 100 H TRP 100 -4.869 5.259 -13.563 765 HA TRP 100 HA TRP 100 -7.600 4.254 -13.125 766 1HB TRP 100 1HB TRP 100 -6.453 6.977 -12.482 767 2HB TRP 100 2HB TRP 100 -8.144 6.536 -12.351 768 HD1 TRP 100 HD TRP 100 -4.796 6.038 -10.547 769 HE1 TRP 100 1HE TRP 100 -5.133 4.986 -8.151 770 HE3 TRP 100 3HE TRP 100 -9.742 5.008 -11.121 771 HZ2 TRP 100 2HZ TRP 100 -7.380 3.865 -6.795 772 HZ3 TRP 100 3HZ TRP 100 -10.933 3.934 -9.212 773 HH2 TRP 100 HH TRP 100 -9.832 3.365 -7.106 774 H LYS 101 H LYS 101 -9.122 6.208 -14.190 775 HA LYS 101 HA LYS 101 -8.096 6.444 -16.932 776 1HB LYS 101 1HB LYS 101 -10.978 6.222 -16.014 777 2HB LYS 101 2HB LYS 101 -10.421 6.328 -17.672 778 1HG LYS 101 1HG LYS 101 -9.157 4.198 -17.403 779 2HG LYS 101 2HG LYS 101 -9.660 4.097 -15.727 780 1HD LYS 101 1HD LYS 101 -12.028 3.920 -16.397 781 2HD LYS 101 2HD LYS 101 -11.607 4.174 -18.079 782 1HE LYS 101 1HE LYS 101 -11.598 1.878 -18.162 783 2HE LYS 101 2HE LYS 101 -9.973 2.052 -17.530 784 1HZ LYS 101 1HZ LYS 101 -11.991 2.111 -15.516 785 2HZ LYS 101 2HZ LYS 101 -11.941 0.700 -16.336 786 3HZ LYS 101 3HZ LYS 101 -10.605 1.250 -15.576 787 H GLN 102 H GLN 102 -9.687 8.311 -18.041 788 HA GLN 102 HA GLN 102 -8.642 10.653 -17.073 789 1HB GLN 102 1HB GLN 102 -10.278 11.762 -18.616 790 2HB GLN 102 2HB GLN 102 -9.404 10.446 -19.373 791 1HG GLN 102 1HG GLN 102 -11.305 8.929 -19.102 792 2HG GLN 102 2HG GLN 102 -12.161 10.096 -18.114 793 1HE2 GLN 102 1HE2 GLN 102 -12.794 12.124 -19.069 794 2HE2 GLN 102 2HE2 GLN 102 -13.189 12.218 -20.754 795 H GLY 103 H GLY 103 -9.348 12.261 -15.652 796 1HA GLY 103 1HA GLY 103 -11.174 11.528 -13.631 797 2HA GLY 103 2HA GLY 103 -10.448 13.103 -13.880 798 H ASP 104 H ASP 104 -13.009 10.923 -15.248 799 HA ASP 104 HA ASP 104 -14.912 12.969 -15.075 800 1HB ASP 104 1HB ASP 104 -13.417 13.398 -17.260 801 2HB ASP 104 2HB ASP 104 -14.419 12.131 -17.937 802 H THR 105 H THR 105 -13.776 9.969 -16.756 803 HA THR 105 HA THR 105 -16.310 8.875 -17.258 804 HB THR 105 HB THR 105 -14.004 8.260 -18.243 805 HG1 THR 105 1HG THR 105 -14.857 6.114 -18.489 806 1HG2 THR 105 1HG2 THR 105 -12.976 6.264 -16.982 807 2HG2 THR 105 2HG2 THR 105 -12.656 7.858 -16.256 808 3HG2 THR 105 3HG2 THR 105 -13.904 6.796 -15.559 809 H LYS 106 H LYS 106 -16.650 6.454 -16.224 810 HA LYS 106 HA LYS 106 -16.604 6.853 -13.319 811 1HB LYS 106 1HB LYS 106 -18.819 7.472 -14.013 812 2HB LYS 106 2HB LYS 106 -18.968 6.057 -15.035 813 1HG LYS 106 1HG LYS 106 -19.034 4.562 -13.143 814 2HG LYS 106 2HG LYS 106 -18.468 5.803 -12.043 815 1HD LYS 106 1HD LYS 106 -20.573 7.073 -12.328 816 2HD LYS 106 2HD LYS 106 -21.133 5.929 -13.532 817 1HE LYS 106 1HE LYS 106 -20.394 4.404 -11.209 818 2HE LYS 106 2HE LYS 106 -21.350 5.761 -10.647 819 1HZ LYS 106 1HZ LYS 106 -22.185 3.499 -12.093 820 2HZ LYS 106 2HZ LYS 106 -23.091 4.623 -11.331 821 3HZ LYS 106 3HZ LYS 106 -22.626 4.861 -12.878 822 H VAL 107 H VAL 107 -16.578 4.866 -12.070 823 HA VAL 107 HA VAL 107 -15.377 2.702 -13.625 824 HB VAL 107 HB VAL 107 -15.400 3.164 -10.637 825 1HG1 VAL 107 1HG1 VAL 107 -14.980 0.830 -11.399 826 2HG1 VAL 107 2HG1 VAL 107 -13.591 1.420 -12.343 827 3HG1 VAL 107 3HG1 VAL 107 -13.585 1.561 -10.569 828 1HG2 VAL 107 1HG2 VAL 107 -13.753 4.357 -12.790 829 2HG2 VAL 107 2HG2 VAL 107 -14.097 4.942 -11.144 830 3HG2 VAL 107 3HG2 VAL 107 -12.845 3.703 -11.405 831 H GLU 108 H GLU 108 -16.438 0.805 -13.956 832 HA GLU 108 HA GLU 108 -19.100 0.634 -12.968 833 1HB GLU 108 1HB GLU 108 -17.890 -0.209 -15.262 834 2HB GLU 108 2HB GLU 108 -17.850 -1.706 -14.352 835 1HG GLU 108 1HG GLU 108 -20.298 -1.573 -13.965 836 2HG GLU 108 2HG GLU 108 -20.365 -0.027 -14.787 837 H LYS 109 H LYS 109 -16.077 -1.363 -12.664 838 HA LYS 109 HA LYS 109 -16.974 -3.322 -11.030 839 1HB LYS 109 1HB LYS 109 -14.640 -2.878 -12.045 840 2HB LYS 109 2HB LYS 109 -14.308 -1.981 -10.578 841 1HG LYS 109 1HG LYS 109 -15.446 -4.312 -9.571 842 2HG LYS 109 2HG LYS 109 -14.586 -4.911 -10.976 843 1HD LYS 109 1HD LYS 109 -12.965 -5.010 -9.246 844 2HD LYS 109 2HD LYS 109 -12.548 -3.549 -10.118 845 1HE LYS 109 1HE LYS 109 -14.517 -2.881 -8.097 846 2HE LYS 109 2HE LYS 109 -13.241 -3.813 -7.341 847 1HZ LYS 109 1HZ LYS 109 -13.060 -1.237 -7.781 848 2HZ LYS 109 2HZ LYS 109 -11.748 -2.209 -7.739 849 3HZ LYS 109 3HZ LYS 109 -12.387 -1.762 -9.174 850 H ALA 110 H ALA 110 -15.422 -0.272 -9.792 851 HA ALA 110 HA ALA 110 -16.235 -0.719 -7.156 852 1HB ALA 110 1HB ALA 110 -14.442 0.878 -8.264 853 2HB ALA 110 2HB ALA 110 -15.788 2.043 -8.272 854 3HB ALA 110 3HB ALA 110 -15.230 1.337 -6.736 855 H GLY 111 H GLY 111 -17.553 1.556 -9.673 856 1HA GLY 111 1HA GLY 111 -19.847 1.780 -10.096 857 2HA GLY 111 2HA GLY 111 -20.216 1.171 -8.495 858 H ALA 112 H ALA 112 -18.417 3.913 -10.071 859 HA ALA 112 HA ALA 112 -19.911 5.935 -9.013 860 1HB ALA 112 1HB ALA 112 -17.986 6.560 -7.205 861 2HB ALA 112 2HB ALA 112 -19.476 5.682 -6.783 862 3HB ALA 112 3HB ALA 112 -17.965 4.785 -7.071 863 H GLU 113 H GLU 113 -18.935 8.055 -9.448 864 HA GLU 113 HA GLU 113 -17.577 8.186 -11.736 865 1HB GLU 113 1HB GLU 113 -17.769 10.065 -9.382 866 2HB GLU 113 2HB GLU 113 -16.719 10.497 -10.717 867 1HG GLU 113 1HG GLU 113 -18.797 9.926 -12.236 868 2HG GLU 113 2HG GLU 113 -19.723 10.059 -10.753 869 H SER 114 H SER 114 -15.331 8.716 -12.347 870 HA SER 114 HA SER 114 -13.529 7.033 -11.050 871 1HB SER 114 1HB SER 114 -11.852 8.050 -12.623 872 2HB SER 114 2HB SER 114 -13.304 7.482 -13.423 873 HG SER 114 HG SER 114 -12.801 10.229 -12.642 874 H ALA 115 H ALA 115 -14.306 10.499 -10.799 875 HA ALA 115 HA ALA 115 -11.934 11.158 -9.347 876 1HB ALA 115 1HB ALA 115 -12.998 12.860 -10.672 877 2HB ALA 115 2HB ALA 115 -14.569 12.576 -9.884 878 3HB ALA 115 3HB ALA 115 -13.231 13.306 -8.964 879 H VAL 116 H VAL 116 -15.257 10.071 -8.624 880 HA VAL 116 HA VAL 116 -15.138 10.705 -5.867 881 HB VAL 116 HB VAL 116 -16.891 9.101 -7.679 882 1HG1 VAL 116 1HG1 VAL 116 -18.291 8.404 -5.775 883 2HG1 VAL 116 2HG1 VAL 116 -16.671 7.670 -5.705 884 3HG1 VAL 116 3HG1 VAL 116 -17.072 9.044 -4.647 885 1HG2 VAL 116 1HG2 VAL 116 -17.147 11.545 -5.938 886 2HG2 VAL 116 2HG2 VAL 116 -17.509 11.344 -7.669 887 3HG2 VAL 116 3HG2 VAL 116 -18.594 10.642 -6.445 888 H VAL 117 H VAL 117 -14.728 7.626 -7.750 889 HA VAL 117 HA VAL 117 -14.117 6.042 -5.550 890 HB VAL 117 HB VAL 117 -14.668 5.521 -8.049 891 1HG1 VAL 117 1HG1 VAL 117 -12.692 6.606 -9.011 892 2HG1 VAL 117 2HG1 VAL 117 -11.631 5.504 -8.102 893 3HG1 VAL 117 3HG1 VAL 117 -12.700 4.863 -9.372 894 1HG2 VAL 117 1HG2 VAL 117 -14.523 3.822 -6.324 895 2HG2 VAL 117 2HG2 VAL 117 -13.673 3.258 -7.782 896 3HG2 VAL 117 3HG2 VAL 117 -12.744 3.859 -6.388 897 H HIS 118 H HIS 118 -12.087 8.157 -7.629 898 HA HIS 118 HA HIS 118 -9.628 7.293 -6.694 899 1HB HIS 118 1HB HIS 118 -9.439 8.587 -8.565 900 2HB HIS 118 2HB HIS 118 -10.694 9.705 -8.069 901 HD1 HIS 118 1HD HIS 118 -9.977 11.850 -6.890 902 HD2 HIS 118 2HD HIS 118 -6.847 9.094 -7.343 903 HE1 HIS 118 1HE HIS 118 -7.842 13.078 -6.226 904 H GLU 119 H GLU 119 -11.781 9.972 -5.537 905 HA GLU 119 HA GLU 119 -10.067 10.734 -3.486 906 1HB GLU 119 1HB GLU 119 -13.039 11.112 -3.981 907 2HB GLU 119 2HB GLU 119 -12.278 11.744 -2.535 908 1HG GLU 119 1HG GLU 119 -10.544 12.850 -4.133 909 2HG GLU 119 2HG GLU 119 -11.659 12.462 -5.428 910 H ARG 120 H ARG 120 -12.744 8.345 -3.689 911 HA ARG 120 HA ARG 120 -12.989 7.880 -0.992 912 1HB ARG 120 1HB ARG 120 -13.719 6.497 -3.522 913 2HB ARG 120 2HB ARG 120 -13.519 5.403 -2.168 914 1HG ARG 120 1HG ARG 120 -15.009 7.158 -0.858 915 2HG ARG 120 2HG ARG 120 -15.466 7.709 -2.458 916 1HD ARG 120 1HD ARG 120 -15.653 4.875 -2.581 917 2HD ARG 120 2HD ARG 120 -16.325 5.305 -1.020 918 HE ARG 120 HE ARG 120 -17.519 5.833 -3.601 919 1HH1 ARG 120 2HH2 ARG 120 -17.195 7.172 -0.363 920 2HH1 ARG 120 1HH2 ARG 120 -18.677 8.065 -0.445 921 1HH2 ARG 120 2HH1 ARG 120 -19.475 7.011 -3.710 922 2HH2 ARG 120 1HH1 ARG 120 -19.982 7.973 -2.362 923 H MET 121 H MET 121 -11.117 6.007 -3.499 924 HA MET 121 HA MET 121 -9.908 4.355 -1.592 925 1HB MET 121 1HB MET 121 -9.918 4.775 -4.487 926 2HB MET 121 2HB MET 121 -8.265 4.552 -3.950 927 1HG MET 121 1HG MET 121 -9.659 2.575 -2.527 928 2HG MET 121 2HG MET 121 -10.473 2.589 -4.079 929 1HE MET 121 1HE MET 121 -9.795 0.227 -4.484 930 2HE MET 121 2HE MET 121 -8.136 -0.381 -4.697 931 3HE MET 121 3HE MET 121 -8.740 0.006 -3.068 932 H ASP 122 H ASP 122 -8.882 7.376 -3.280 933 HA ASP 122 HA ASP 122 -6.278 7.425 -2.572 934 1HB ASP 122 1HB ASP 122 -7.154 9.144 -4.003 935 2HB ASP 122 2HB ASP 122 -8.359 9.625 -2.825 936 H ARG 123 H ARG 123 -9.203 8.452 -0.700 937 HA ARG 123 HA ARG 123 -7.800 9.520 1.441 938 1HB ARG 123 1HB ARG 123 -10.621 8.422 1.107 939 2HB ARG 123 2HB ARG 123 -10.075 9.011 2.665 940 1HG ARG 123 1HG ARG 123 -9.635 10.766 0.247 941 2HG ARG 123 2HG ARG 123 -11.260 10.641 0.892 942 1HD ARG 123 1HD ARG 123 -9.863 11.038 3.221 943 2HD ARG 123 2HD ARG 123 -8.829 11.903 2.102 944 HE ARG 123 HE ARG 123 -11.552 12.647 2.901 945 1HH1 ARG 123 2HH2 ARG 123 -9.040 13.049 0.469 946 2HH1 ARG 123 1HH2 ARG 123 -9.657 14.563 -0.102 947 1HH2 ARG 123 2HH1 ARG 123 -12.366 14.645 2.147 948 2HH2 ARG 123 1HH1 ARG 123 -11.561 15.477 0.859 949 H GLY 124 H GLY 124 -9.360 6.278 0.917 950 1HA GLY 124 1HA GLY 124 -8.721 5.156 3.395 951 2HA GLY 124 2HA GLY 124 -9.048 4.287 1.908 952 H TRP 125 H TRP 125 -6.947 5.121 0.225 953 HA TRP 125 HA TRP 125 -4.908 3.425 0.962 954 1HB TRP 125 1HB TRP 125 -5.446 5.357 -1.143 955 2HB TRP 125 2HB TRP 125 -3.746 5.319 -0.720 956 HD1 TRP 125 HD TRP 125 -6.116 3.566 -2.919 957 HE1 TRP 125 1HE TRP 125 -5.207 1.274 -3.861 958 HE3 TRP 125 3HE TRP 125 -2.230 3.169 0.335 959 HZ2 TRP 125 2HZ TRP 125 -3.014 -0.410 -3.154 960 HZ3 TRP 125 3HZ TRP 125 -0.752 1.170 0.142 961 HH2 TRP 125 HH TRP 125 -1.094 -0.582 -1.528 962 H HIS 126 H HIS 126 -5.418 6.936 1.554 963 HA HIS 126 HA HIS 126 -2.834 7.316 2.655 964 1HB HIS 126 1HB HIS 126 -4.415 9.038 1.580 965 2HB HIS 126 2HB HIS 126 -5.254 9.063 3.119 966 HD1 HIS 126 1HD HIS 126 -1.547 8.654 3.301 967 HD2 HIS 126 2HD HIS 126 -4.347 11.776 3.415 968 HE1 HIS 126 1HE HIS 126 -0.300 10.701 4.176 969 H ASP 127 H ASP 127 -6.170 7.070 4.078 970 HA ASP 127 HA ASP 127 -5.460 7.270 6.680 971 1HB ASP 127 1HB ASP 127 -7.594 5.555 5.338 972 2HB ASP 127 2HB ASP 127 -7.497 5.727 7.079 973 H LEU 128 H LEU 128 -5.359 4.449 4.442 974 HA LEU 128 HA LEU 128 -4.856 2.480 6.361 975 1HB LEU 128 1HB LEU 128 -5.635 1.922 4.177 976 2HB LEU 128 2HB LEU 128 -4.251 2.680 3.414 977 HG LEU 128 HG LEU 128 -2.782 0.951 4.491 978 1HD1 LEU 128 1HD1 LEU 128 -5.338 -0.544 5.094 979 2HD1 LEU 128 2HD1 LEU 128 -3.669 -0.977 5.534 980 3HD1 LEU 128 3HD1 LEU 128 -4.462 0.414 6.311 981 1HD2 LEU 128 1HD2 LEU 128 -3.218 0.605 2.223 982 2HD2 LEU 128 2HD2 LEU 128 -3.648 -0.945 2.987 983 3HD2 LEU 128 3HD2 LEU 128 -4.927 0.199 2.512 984 H VAL 129 H VAL 129 -2.613 4.431 4.281 985 HA VAL 129 HA VAL 129 -0.385 3.429 5.857 986 HB VAL 129 HB VAL 129 -0.324 3.501 3.378 987 1HG1 VAL 129 1HG1 VAL 129 -1.467 5.986 3.617 988 2HG1 VAL 129 2HG1 VAL 129 0.229 6.393 3.263 989 3HG1 VAL 129 3HG1 VAL 129 -0.687 5.352 2.148 990 1HG2 VAL 129 1HG2 VAL 129 1.672 4.811 5.156 991 2HG2 VAL 129 2HG2 VAL 129 1.825 3.374 4.116 992 3HG2 VAL 129 3HG2 VAL 129 1.908 5.003 3.402 993 H ASN 130 H ASN 130 -2.293 4.968 7.315 994 HA ASN 130 HA ASN 130 -0.741 7.409 7.697 995 1HB ASN 130 1HB ASN 130 -3.548 7.083 7.208 996 2HB ASN 130 2HB ASN 130 -3.406 7.527 8.897 997 1HD2 ASN 130 1HD2 ASN 130 -2.823 8.459 5.594 998 2HD2 ASN 130 2HD2 ASN 130 -2.513 10.143 5.855 999 H GLU 131 H GLU 131 -3.264 5.416 9.433 1000 HA GLU 131 HA GLU 131 -1.442 5.380 11.713 1001 1HB GLU 131 1HB GLU 131 -3.478 5.337 13.169 1002 2HB GLU 131 2HB GLU 131 -3.340 6.813 12.235 1003 1HG GLU 131 1HG GLU 131 -5.418 6.430 11.414 1004 2HG GLU 131 2HG GLU 131 -4.784 5.037 10.561 1005 H ARG 132 H ARG 132 -3.795 3.655 9.657 1006 HA ARG 132 HA ARG 132 -4.030 1.365 11.130 1007 1HB ARG 132 1HB ARG 132 -3.941 1.626 8.081 1008 2HB ARG 132 2HB ARG 132 -4.639 0.279 8.958 1009 1HG ARG 132 1HG ARG 132 -5.641 2.995 9.731 1010 2HG ARG 132 2HG ARG 132 -6.079 2.453 8.124 1011 1HD ARG 132 1HD ARG 132 -7.193 0.486 8.972 1012 2HD ARG 132 2HD ARG 132 -6.470 0.663 10.558 1013 HE ARG 132 HE ARG 132 -8.046 3.000 9.833 1014 1HH1 ARG 132 2HH2 ARG 132 -8.264 -0.278 11.095 1015 2HH1 ARG 132 1HH2 ARG 132 -9.756 0.005 11.927 1016 1HH2 ARG 132 2HH1 ARG 132 -10.014 3.374 10.931 1017 2HH2 ARG 132 1HH1 ARG 132 -10.758 2.097 11.834 1018 H LEU 133 H LEU 133 -1.478 2.464 8.857 1019 HA LEU 133 HA LEU 133 -0.120 -0.084 9.007 1020 1HB LEU 133 1HB LEU 133 -0.020 0.845 6.892 1021 2HB LEU 133 2HB LEU 133 0.243 2.471 7.492 1022 HG LEU 133 HG LEU 133 2.538 1.790 8.216 1023 1HD1 LEU 133 1HD1 LEU 133 3.513 -0.271 7.545 1024 2HD1 LEU 133 2HD1 LEU 133 1.986 -0.663 8.371 1025 3HD1 LEU 133 3HD1 LEU 133 2.077 -0.722 6.594 1026 1HD2 LEU 133 1HD2 LEU 133 2.034 1.344 5.263 1027 2HD2 LEU 133 2HD2 LEU 133 2.045 2.938 6.055 1028 3HD2 LEU 133 3HD2 LEU 133 3.521 1.944 6.036 1029 H ARG 134 H ARG 134 -0.088 3.119 10.516 1030 HA ARG 134 HA ARG 134 2.502 2.982 11.501 1031 1HB ARG 134 1HB ARG 134 0.831 4.992 11.400 1032 2HB ARG 134 2HB ARG 134 0.185 4.377 12.909 1033 1HG ARG 134 1HG ARG 134 2.763 4.365 13.638 1034 2HG ARG 134 2HG ARG 134 2.917 5.542 12.348 1035 1HD ARG 134 1HD ARG 134 2.441 6.922 14.194 1036 2HD ARG 134 2HD ARG 134 0.850 6.722 13.487 1037 HE ARG 134 HE ARG 134 1.534 4.683 15.495 1038 1HH1 ARG 134 2HH2 ARG 134 0.077 7.835 14.923 1039 2HH1 ARG 134 1HH2 ARG 134 -0.868 7.803 16.374 1040 1HH2 ARG 134 2HH1 ARG 134 0.287 4.641 17.409 1041 2HH2 ARG 134 1HH1 ARG 134 -0.748 5.974 17.798 1042 H GLN 135 H GLN 135 -0.669 1.790 12.686 1043 HA GLN 135 HA GLN 135 0.160 1.207 15.274 1044 1HB GLN 135 1HB GLN 135 -2.224 1.111 13.857 1045 2HB GLN 135 2HB GLN 135 -1.900 -0.590 14.126 1046 1HG GLN 135 1HG GLN 135 -1.436 0.078 16.608 1047 2HG GLN 135 2HG GLN 135 -2.197 1.606 16.212 1048 1HE2 GLN 135 1HE2 GLN 135 -4.357 1.753 15.932 1049 2HE2 GLN 135 2HE2 GLN 135 -5.481 0.460 16.191 1050 H ILE 136 H ILE 136 0.739 -0.350 12.186 1051 HA ILE 136 HA ILE 136 1.178 -2.962 13.153 1052 HB ILE 136 HB ILE 136 2.171 -1.549 10.675 1053 1HG1 ILE 136 1HG1 ILE 136 -0.237 -1.557 10.753 1054 2HG1 ILE 136 2HG1 ILE 136 0.303 -2.725 9.564 1055 1HG2 ILE 136 1HG2 ILE 136 2.403 -4.389 11.613 1056 2HG2 ILE 136 2HG2 ILE 136 2.223 -4.040 9.877 1057 3HG2 ILE 136 3HG2 ILE 136 3.593 -3.357 10.784 1058 1HD1 ILE 136 1HD1 ILE 136 -1.159 -4.117 10.653 1059 2HD1 ILE 136 2HD1 ILE 136 0.199 -4.329 11.784 1060 3HD1 ILE 136 3HD1 ILE 136 -1.097 -3.167 12.157 1061 H VAL 137 H VAL 137 3.035 0.028 13.198 1062 HA VAL 137 HA VAL 137 5.366 -1.504 14.120 1063 HB VAL 137 HB VAL 137 6.616 0.594 13.570 1064 1HG1 VAL 137 1HG1 VAL 137 5.566 -1.428 11.811 1065 2HG1 VAL 137 2HG1 VAL 137 5.741 0.102 10.918 1066 3HG1 VAL 137 3HG1 VAL 137 7.141 -0.602 11.763 1067 1HG2 VAL 137 1HG2 VAL 137 4.096 1.383 12.075 1068 2HG2 VAL 137 2HG2 VAL 137 4.603 2.093 13.626 1069 3HG2 VAL 137 3HG2 VAL 137 5.625 2.288 12.181 1070 H GLU 138 H GLU 138 2.768 0.636 14.981 1071 HA GLU 138 HA GLU 138 4.193 1.375 17.408 1072 1HB GLU 138 1HB GLU 138 1.959 2.618 15.828 1073 2HB GLU 138 2HB GLU 138 1.949 2.868 17.563 1074 1HG GLU 138 1HG GLU 138 4.654 3.257 16.600 1075 2HG GLU 138 2HG GLU 138 3.569 4.194 15.592 Start of MODEL 10 1 1H MET 1 H MET 1 -5.331 20.154 -14.864 2 HA MET 1 HA MET 1 -2.504 20.826 -14.954 3 1HB MET 1 1HB MET 1 -4.142 20.169 -12.827 4 2HB MET 1 2HB MET 1 -3.525 18.580 -13.235 5 1HG MET 1 1HG MET 1 -1.524 20.826 -13.074 6 2HG MET 1 2HG MET 1 -2.208 20.257 -11.564 7 1HE MET 1 1HE MET 1 1.378 18.904 -13.158 8 2HE MET 1 2HE MET 1 0.551 20.426 -12.746 9 3HE MET 1 3HE MET 1 1.015 19.289 -11.458 10 H THR 2 H THR 2 -4.424 17.741 -14.736 11 HA THR 2 HA THR 2 -3.727 16.708 -17.194 12 HB THR 2 HB THR 2 -1.383 16.790 -16.608 13 HG1 THR 2 1HG THR 2 -1.567 14.699 -17.344 14 1HG2 THR 2 1HG2 THR 2 -1.363 15.044 -14.275 15 2HG2 THR 2 2HG2 THR 2 -0.629 16.656 -14.456 16 3HG2 THR 2 3HG2 THR 2 -2.319 16.502 -13.917 17 H ARG 3 H ARG 3 -4.168 14.337 -17.355 18 HA ARG 3 HA ARG 3 -6.516 13.718 -16.295 19 1HB ARG 3 1HB ARG 3 -4.205 11.836 -16.974 20 2HB ARG 3 2HB ARG 3 -5.827 11.259 -16.649 21 1HG ARG 3 1HG ARG 3 -6.264 11.589 -18.854 22 2HG ARG 3 2HG ARG 3 -6.264 13.306 -18.507 23 1HD ARG 3 1HD ARG 3 -3.912 13.518 -19.099 24 2HD ARG 3 2HD ARG 3 -3.704 11.779 -19.157 25 HE ARG 3 HE ARG 3 -5.740 12.319 -21.007 26 1HH1 ARG 3 2HH2 ARG 3 -2.389 13.300 -20.572 27 2HH1 ARG 3 1HH2 ARG 3 -2.102 13.528 -22.265 28 1HH2 ARG 3 2HH1 ARG 3 -5.363 12.619 -23.240 29 2HH2 ARG 3 1HH1 ARG 3 -3.806 13.138 -23.793 30 H LEU 4 H LEU 4 -7.054 11.820 -14.687 31 HA LEU 4 HA LEU 4 -6.462 12.526 -12.151 32 1HB LEU 4 1HB LEU 4 -7.150 9.832 -13.313 33 2HB LEU 4 2HB LEU 4 -7.044 10.119 -11.587 34 HG LEU 4 HG LEU 4 -8.843 11.804 -13.324 35 1HD1 LEU 4 1HD1 LEU 4 -9.381 9.036 -12.246 36 2HD1 LEU 4 2HD1 LEU 4 -10.687 10.198 -12.585 37 3HD1 LEU 4 3HD1 LEU 4 -9.611 9.660 -13.897 38 1HD2 LEU 4 1HD2 LEU 4 -8.656 12.769 -11.215 39 2HD2 LEU 4 2HD2 LEU 4 -10.141 11.796 -11.092 40 3HD2 LEU 4 3HD2 LEU 4 -8.622 11.195 -10.384 41 HA PRO 5 HA PRO 5 -2.229 11.452 -11.902 42 1HB PRO 5 1HB PRO 5 -1.716 12.695 -9.523 43 2HB PRO 5 2HB PRO 5 -1.643 13.517 -11.069 44 1HG PRO 5 1HG PRO 5 -3.726 13.684 -8.977 45 2HG PRO 5 2HG PRO 5 -3.412 14.784 -10.305 46 1HD PRO 5 1HD PRO 5 -5.516 12.841 -10.147 47 2HD PRO 5 2HD PRO 5 -5.131 13.860 -11.520 48 H ASP 6 H ASP 6 -0.807 10.052 -10.741 49 HA ASP 6 HA ASP 6 -2.160 7.880 -9.764 50 1HB ASP 6 1HB ASP 6 0.632 8.539 -8.799 51 2HB ASP 6 2HB ASP 6 -0.022 6.982 -9.265 52 H ILE 7 H ILE 7 -2.488 7.099 -7.556 53 HA ILE 7 HA ILE 7 -2.942 9.178 -5.669 54 HB ILE 7 HB ILE 7 -3.276 6.197 -5.706 55 1HG1 ILE 7 1HG1 ILE 7 -5.245 8.481 -5.381 56 2HG1 ILE 7 2HG1 ILE 7 -4.910 7.643 -6.883 57 1HG2 ILE 7 1HG2 ILE 7 -4.476 6.743 -3.403 58 2HG2 ILE 7 2HG2 ILE 7 -2.759 6.284 -3.487 59 3HG2 ILE 7 3HG2 ILE 7 -3.215 7.997 -3.327 60 1HD1 ILE 7 1HD1 ILE 7 -5.426 5.488 -5.301 61 2HD1 ILE 7 2HD1 ILE 7 -6.430 6.710 -4.483 62 3HD1 ILE 7 3HD1 ILE 7 -6.692 6.351 -6.206 63 H LYS 8 H LYS 8 -0.640 9.994 -5.745 64 HA LYS 8 HA LYS 8 1.247 8.307 -4.335 65 1HB LYS 8 1HB LYS 8 2.159 9.439 -6.204 66 2HB LYS 8 2HB LYS 8 1.431 10.967 -5.752 67 1HG LYS 8 1HG LYS 8 2.868 11.074 -3.721 68 2HG LYS 8 2HG LYS 8 3.569 9.518 -4.118 69 1HD LYS 8 1HD LYS 8 3.761 11.268 -6.434 70 2HD LYS 8 2HD LYS 8 4.404 12.099 -5.031 71 1HE LYS 8 1HE LYS 8 5.855 10.103 -4.534 72 2HE LYS 8 2HE LYS 8 5.235 9.310 -5.969 73 1HZ LYS 8 1HZ LYS 8 7.296 10.429 -6.410 74 2HZ LYS 8 2HZ LYS 8 6.103 11.132 -7.276 75 3HZ LYS 8 3HZ LYS 8 6.683 11.868 -5.939 76 H LYS 9 H LYS 9 1.545 8.350 -2.172 77 HA LYS 9 HA LYS 9 0.822 10.804 -0.765 78 1HB LYS 9 1HB LYS 9 -0.221 8.039 -0.088 79 2HB LYS 9 2HB LYS 9 -0.305 9.413 0.995 80 1HG LYS 9 1HG LYS 9 -1.414 9.553 -1.837 81 2HG LYS 9 2HG LYS 9 -2.375 8.935 -0.508 82 1HD LYS 9 1HD LYS 9 -1.681 11.175 0.712 83 2HD LYS 9 2HD LYS 9 -1.279 11.737 -0.898 84 1HE LYS 9 1HE LYS 9 -3.521 11.585 -1.661 85 2HE LYS 9 2HE LYS 9 -3.976 10.442 -0.413 86 1HZ LYS 9 1HZ LYS 9 -3.257 12.515 1.052 87 2HZ LYS 9 2HZ LYS 9 -3.796 13.304 -0.272 88 3HZ LYS 9 3HZ LYS 9 -4.786 12.280 0.528 89 H GLU 10 H GLU 10 1.701 10.722 1.561 90 HA GLU 10 HA GLU 10 3.907 8.905 1.846 91 1HB GLU 10 1HB GLU 10 4.768 10.912 0.533 92 2HB GLU 10 2HB GLU 10 4.399 11.912 1.924 93 1HG GLU 10 1HG GLU 10 5.969 9.479 2.591 94 2HG GLU 10 2HG GLU 10 6.801 10.575 1.505 95 H VAL 11 H VAL 11 4.603 8.688 4.057 96 HA VAL 11 HA VAL 11 3.283 10.387 6.007 97 HB VAL 11 HB VAL 11 2.679 8.174 7.231 98 1HG1 VAL 11 1HG1 VAL 11 0.499 8.581 6.697 99 2HG1 VAL 11 2HG1 VAL 11 1.217 10.038 5.970 100 3HG1 VAL 11 3HG1 VAL 11 0.819 8.637 4.947 101 1HG2 VAL 11 1HG2 VAL 11 2.746 6.231 6.124 102 2HG2 VAL 11 2HG2 VAL 11 1.959 6.934 4.691 103 3HG2 VAL 11 3HG2 VAL 11 3.722 7.069 4.894 104 H ARG 12 H ARG 12 4.174 9.922 8.257 105 HA ARG 12 HA ARG 12 6.851 8.814 8.005 106 1HB ARG 12 1HB ARG 12 7.138 11.225 8.076 107 2HB ARG 12 2HB ARG 12 5.972 11.396 9.373 108 1HG ARG 12 1HG ARG 12 7.487 10.119 10.904 109 2HG ARG 12 2HG ARG 12 8.654 9.949 9.607 110 1HD ARG 12 1HD ARG 12 8.588 12.564 9.463 111 2HD ARG 12 2HD ARG 12 7.794 12.502 11.024 112 HE ARG 12 HE ARG 12 10.191 10.867 11.016 113 1HH1 ARG 12 2HH2 ARG 12 9.070 14.195 11.238 114 2HH1 ARG 12 1HH2 ARG 12 10.459 14.738 12.119 115 1HH2 ARG 12 2HH1 ARG 12 12.023 11.582 12.178 116 2HH2 ARG 12 1HH1 ARG 12 12.150 13.242 12.657 117 H PHE 13 H PHE 13 7.327 7.279 9.572 118 HA PHE 13 HA PHE 13 5.564 7.239 11.921 119 1HB PHE 13 1HB PHE 13 6.859 4.957 10.310 120 2HB PHE 13 2HB PHE 13 5.879 4.716 11.742 121 HD1 PHE 13 1HD PHE 13 5.556 3.771 8.741 122 HD2 PHE 13 2HD PHE 13 3.744 6.792 11.106 123 HE1 PHE 13 1HE PHE 13 3.496 3.655 7.311 124 HE2 PHE 13 2HE PHE 13 1.684 6.676 9.677 125 HZ PHE 13 HZ PHE 13 1.585 5.108 7.796 126 H ASN 14 H ASN 14 6.517 6.535 13.924 127 HA ASN 14 HA ASN 14 9.362 7.022 13.937 128 1HB ASN 14 1HB ASN 14 7.161 7.559 15.732 129 2HB ASN 14 2HB ASN 14 8.273 6.502 16.579 130 1HD2 ASN 14 1HD2 ASN 14 7.632 9.299 17.032 131 2HD2 ASN 14 2HD2 ASN 14 9.109 10.199 16.933 132 H ALA 15 H ALA 15 10.371 5.037 13.361 133 HA ALA 15 HA ALA 15 10.602 3.042 15.257 134 1HB ALA 15 1HB ALA 15 9.303 1.440 13.322 135 2HB ALA 15 2HB ALA 15 8.758 1.787 14.981 136 3HB ALA 15 3HB ALA 15 8.209 2.809 13.632 137 HA PRO 16 HA PRO 16 13.736 1.945 12.479 138 1HB PRO 16 1HB PRO 16 14.070 -0.750 12.787 139 2HB PRO 16 2HB PRO 16 14.686 0.429 13.928 140 1HG PRO 16 1HG PRO 16 12.346 -1.358 14.191 141 2HG PRO 16 2HG PRO 16 13.220 -0.502 15.446 142 1HD PRO 16 1HD PRO 16 10.675 0.213 14.334 143 2HD PRO 16 2HD PRO 16 11.602 1.130 15.504 144 H ILE 17 H ILE 17 14.015 1.904 10.334 145 HA ILE 17 HA ILE 17 11.881 1.280 8.714 146 HB ILE 17 HB ILE 17 13.755 2.704 8.090 147 1HG1 ILE 17 1HG1 ILE 17 13.627 0.430 6.108 148 2HG1 ILE 17 2HG1 ILE 17 12.239 1.453 6.418 149 1HG2 ILE 17 1HG2 ILE 17 15.901 1.792 7.411 150 2HG2 ILE 17 2HG2 ILE 17 15.564 1.383 9.110 151 3HG2 ILE 17 3HG2 ILE 17 15.367 0.150 7.842 152 1HD1 ILE 17 1HD1 ILE 17 13.261 2.591 4.644 153 2HD1 ILE 17 2HD1 ILE 17 13.961 3.439 6.044 154 3HD1 ILE 17 3HD1 ILE 17 14.904 2.187 5.199 155 H GLU 18 H GLU 18 14.223 -0.814 10.284 156 HA GLU 18 HA GLU 18 14.046 -2.957 8.525 157 1HB GLU 18 1HB GLU 18 15.425 -2.360 10.881 158 2HB GLU 18 2HB GLU 18 14.391 -3.691 11.364 159 1HG GLU 18 1HG GLU 18 15.231 -4.767 9.062 160 2HG GLU 18 2HG GLU 18 16.559 -3.641 9.257 161 H LYS 19 H LYS 19 12.036 -1.891 11.298 162 HA LYS 19 HA LYS 19 10.499 -4.279 11.381 163 1HB LYS 19 1HB LYS 19 10.928 -2.444 13.200 164 2HB LYS 19 2HB LYS 19 9.572 -1.625 12.451 165 1HG LYS 19 1HG LYS 19 8.091 -3.507 12.855 166 2HG LYS 19 2HG LYS 19 9.427 -4.546 13.312 167 1HD LYS 19 1HD LYS 19 9.751 -2.450 15.091 168 2HD LYS 19 2HD LYS 19 8.008 -2.473 14.912 169 1HE LYS 19 1HE LYS 19 8.264 -4.028 16.634 170 2HE LYS 19 2HE LYS 19 8.289 -5.099 15.247 171 1HZ LYS 19 1HZ LYS 19 10.609 -4.066 16.715 172 2HZ LYS 19 2HZ LYS 19 10.122 -5.620 16.592 173 3HZ LYS 19 3HZ LYS 19 10.740 -4.853 15.290 174 H VAL 20 H VAL 20 9.900 -0.932 10.103 175 HA VAL 20 HA VAL 20 7.404 -1.535 9.014 176 HB VAL 20 HB VAL 20 9.474 0.530 8.241 177 1HG1 VAL 20 1HG1 VAL 20 6.676 0.030 7.311 178 2HG1 VAL 20 2HG1 VAL 20 7.191 1.716 7.552 179 3HG1 VAL 20 3HG1 VAL 20 8.083 0.666 6.425 180 1HG2 VAL 20 1HG2 VAL 20 7.095 0.678 10.124 181 2HG2 VAL 20 2HG2 VAL 20 8.815 0.700 10.583 182 3HG2 VAL 20 3HG2 VAL 20 8.126 2.050 9.650 183 H TRP 21 H TRP 21 10.751 -1.784 7.710 184 HA TRP 21 HA TRP 21 10.065 -2.340 5.077 185 1HB TRP 21 1HB TRP 21 12.306 -1.751 5.751 186 2HB TRP 21 2HB TRP 21 12.444 -3.199 6.729 187 HD1 TRP 21 HD TRP 21 14.010 -4.874 5.493 188 HE1 TRP 21 1HE TRP 21 14.458 -5.733 3.038 189 HE3 TRP 21 3HE TRP 21 10.614 -1.829 3.246 190 HZ2 TRP 21 2HZ TRP 21 13.366 -5.058 0.489 191 HZ3 TRP 21 3HZ TRP 21 10.367 -1.992 0.770 192 HH2 TRP 21 HH TRP 21 11.675 -3.537 -0.600 193 H GLU 22 H GLU 22 10.416 -4.427 8.005 194 HA GLU 22 HA GLU 22 9.969 -6.805 6.574 195 1HB GLU 22 1HB GLU 22 10.302 -5.979 9.410 196 2HB GLU 22 2HB GLU 22 9.312 -7.408 9.189 197 1HG GLU 22 1HG GLU 22 11.438 -8.373 9.289 198 2HG GLU 22 2HG GLU 22 11.255 -8.180 7.557 199 H ALA 23 H ALA 23 7.904 -4.406 8.220 200 HA ALA 23 HA ALA 23 5.585 -6.016 8.312 201 1HB ALA 23 1HB ALA 23 6.424 -3.296 8.948 202 2HB ALA 23 2HB ALA 23 4.812 -3.317 8.193 203 3HB ALA 23 3HB ALA 23 5.120 -4.275 9.661 204 H VAL 24 H VAL 24 7.352 -4.629 5.721 205 HA VAL 24 HA VAL 24 4.954 -4.763 4.024 206 HB VAL 24 HB VAL 24 5.985 -3.107 2.598 207 1HG1 VAL 24 1HG1 VAL 24 4.656 -1.938 4.042 208 2HG1 VAL 24 2HG1 VAL 24 5.515 -2.523 5.487 209 3HG1 VAL 24 3HG1 VAL 24 6.227 -1.232 4.491 210 1HG2 VAL 24 1HG2 VAL 24 8.254 -3.033 4.616 211 2HG2 VAL 24 2HG2 VAL 24 8.342 -3.699 2.968 212 3HG2 VAL 24 3HG2 VAL 24 8.064 -1.957 3.211 213 H SER 25 H SER 25 7.432 -6.585 5.036 214 HA SER 25 HA SER 25 8.094 -7.474 2.339 215 1HB SER 25 1HB SER 25 10.192 -8.207 3.121 216 2HB SER 25 2HB SER 25 9.948 -6.709 3.997 217 HG SER 25 HG SER 25 9.470 -9.387 4.994 218 H THR 26 H THR 26 6.633 -8.262 5.450 219 HA THR 26 HA THR 26 6.451 -11.094 4.726 220 HB THR 26 HB THR 26 5.590 -11.227 7.129 221 HG1 THR 26 1HG THR 26 4.916 -8.885 6.997 222 1HG2 THR 26 1HG2 THR 26 8.088 -11.423 6.605 223 2HG2 THR 26 2HG2 THR 26 8.217 -9.672 6.896 224 3HG2 THR 26 3HG2 THR 26 7.732 -10.761 8.218 225 H SER 27 H SER 27 4.301 -12.183 5.125 226 HA SER 27 HA SER 27 2.372 -10.669 3.656 227 1HB SER 27 1HB SER 27 2.365 -13.525 4.725 228 2HB SER 27 2HB SER 27 1.061 -12.846 3.772 229 HG SER 27 HG SER 27 3.415 -12.350 2.481 230 H GLU 28 H GLU 28 2.711 -12.212 6.913 231 HA GLU 28 HA GLU 28 0.152 -11.560 7.773 232 1HB GLU 28 1HB GLU 28 2.473 -12.855 8.817 233 2HB GLU 28 2HB GLU 28 2.046 -11.610 9.974 234 1HG GLU 28 1HG GLU 28 -0.127 -13.395 8.843 235 2HG GLU 28 2HG GLU 28 0.910 -14.005 10.117 236 H GLY 29 H GLY 29 3.284 -9.807 7.856 237 1HA GLY 29 1HA GLY 29 2.466 -7.717 9.573 238 2HA GLY 29 2HA GLY 29 3.817 -7.704 8.457 239 H LEU 30 H LEU 30 2.374 -8.194 5.991 240 HA LEU 30 HA LEU 30 1.498 -5.536 5.496 241 1HB LEU 30 1HB LEU 30 2.208 -7.921 3.988 242 2HB LEU 30 2HB LEU 30 0.811 -7.110 3.308 243 HG LEU 30 HG LEU 30 2.844 -5.159 3.940 244 1HD1 LEU 30 1HD1 LEU 30 4.515 -5.926 2.223 245 2HD1 LEU 30 2HD1 LEU 30 4.508 -6.849 3.745 246 3HD1 LEU 30 3HD1 LEU 30 3.744 -7.529 2.288 247 1HD2 LEU 30 1HD2 LEU 30 0.847 -5.521 2.083 248 2HD2 LEU 30 2HD2 LEU 30 2.081 -4.239 2.052 249 3HD2 LEU 30 3HD2 LEU 30 2.324 -5.731 1.113 250 H ALA 31 H ALA 31 -0.139 -8.780 5.433 251 HA ALA 31 HA ALA 31 -2.676 -7.863 4.893 252 1HB ALA 31 1HB ALA 31 -2.011 -10.172 6.750 253 2HB ALA 31 2HB ALA 31 -3.399 -10.011 5.647 254 3HB ALA 31 3HB ALA 31 -1.762 -10.252 4.989 255 H PHE 32 H PHE 32 -0.700 -7.427 7.734 256 HA PHE 32 HA PHE 32 -2.697 -7.231 9.669 257 1HB PHE 32 1HB PHE 32 0.086 -7.030 9.440 258 2HB PHE 32 2HB PHE 32 -0.344 -5.360 9.749 259 HD1 PHE 32 1HD PHE 32 -2.554 -5.578 11.642 260 HD2 PHE 32 2HD PHE 32 1.021 -7.851 11.390 261 HE1 PHE 32 1HE PHE 32 -2.692 -6.068 14.100 262 HE2 PHE 32 2HE PHE 32 0.883 -8.340 13.848 263 HZ PHE 32 HZ PHE 32 -0.971 -7.443 15.174 264 H TRP 33 H TRP 33 -1.937 -5.196 6.953 265 HA TRP 33 HA TRP 33 -3.822 -3.216 7.986 266 1HB TRP 33 1HB TRP 33 -2.423 -1.383 7.161 267 2HB TRP 33 2HB TRP 33 -1.694 -2.249 8.499 268 HD1 TRP 33 HD TRP 33 0.540 -3.732 7.914 269 HE1 TRP 33 1HE TRP 33 2.323 -3.675 5.970 270 HE3 TRP 33 3HE TRP 33 -2.259 -0.936 4.719 271 HZ2 TRP 33 2HZ TRP 33 2.362 -2.495 3.372 272 HZ3 TRP 33 3HZ TRP 33 -1.274 -0.376 2.499 273 HH2 TRP 33 HH TRP 33 0.954 -1.107 1.807 274 H PHE 34 H PHE 34 -1.790 -4.402 5.219 275 HA PHE 34 HA PHE 34 -3.498 -3.315 3.255 276 1HB PHE 34 1HB PHE 34 -1.155 -3.858 2.780 277 2HB PHE 34 2HB PHE 34 -1.335 -5.481 3.416 278 HD1 PHE 34 1HD PHE 34 -3.298 -3.544 0.893 279 HD2 PHE 34 2HD PHE 34 -0.982 -7.001 1.723 280 HE1 PHE 34 1HE PHE 34 -3.749 -4.402 -1.422 281 HE2 PHE 34 2HE PHE 34 -1.433 -7.859 -0.592 282 HZ PHE 34 HZ PHE 34 -2.811 -6.550 -2.137 283 H MET 35 H MET 35 -2.727 -6.809 3.261 284 HA MET 35 HA MET 35 -5.277 -7.660 3.997 285 1HB MET 35 1HB MET 35 -4.803 -6.951 1.134 286 2HB MET 35 2HB MET 35 -5.453 -8.563 1.354 287 1HG MET 35 1HG MET 35 -7.518 -7.687 1.699 288 2HG MET 35 2HG MET 35 -6.927 -6.837 3.113 289 1HE MET 35 1HE MET 35 -6.262 -6.993 -0.506 290 2HE MET 35 2HE MET 35 -7.705 -6.064 -0.977 291 3HE MET 35 3HE MET 35 -6.095 -5.309 -1.057 292 H GLU 36 H GLU 36 -5.568 -10.087 3.499 293 HA GLU 36 HA GLU 36 -3.229 -11.386 4.199 294 1HB GLU 36 1HB GLU 36 -5.925 -12.338 3.184 295 2HB GLU 36 2HB GLU 36 -4.643 -13.483 3.525 296 1HG GLU 36 1HG GLU 36 -4.604 -11.863 5.796 297 2HG GLU 36 2HG GLU 36 -6.311 -11.907 5.404 298 H ASN 37 H ASN 37 -1.607 -12.401 3.032 299 HA ASN 37 HA ASN 37 -2.061 -13.016 0.285 300 1HB ASN 37 1HB ASN 37 -0.140 -11.654 -0.552 301 2HB ASN 37 2HB ASN 37 -1.395 -10.628 0.112 302 1HD2 ASN 37 1HD2 ASN 37 -1.182 -10.213 2.531 303 2HD2 ASN 37 2HD2 ASN 37 0.391 -9.790 3.121 304 H ASP 38 H ASP 38 0.580 -13.495 -0.533 305 HA ASP 38 HA ASP 38 1.705 -15.033 1.668 306 1HB ASP 38 1HB ASP 38 0.400 -16.259 -0.343 307 2HB ASP 38 2HB ASP 38 1.924 -16.025 -1.175 308 H LEU 39 H LEU 39 2.371 -12.335 0.638 309 HA LEU 39 HA LEU 39 4.515 -12.490 -1.188 310 1HB LEU 39 1HB LEU 39 3.121 -10.502 -0.813 311 2HB LEU 39 2HB LEU 39 3.775 -10.342 0.804 312 HG LEU 39 HG LEU 39 5.962 -10.450 -1.053 313 1HD1 LEU 39 1HD1 LEU 39 5.243 -8.096 -2.066 314 2HD1 LEU 39 2HD1 LEU 39 4.886 -9.636 -2.884 315 3HD1 LEU 39 3HD1 LEU 39 3.624 -8.823 -1.928 316 1HD2 LEU 39 1HD2 LEU 39 4.916 -8.135 0.598 317 2HD2 LEU 39 2HD2 LEU 39 5.949 -9.447 1.214 318 3HD2 LEU 39 3HD2 LEU 39 6.564 -8.345 -0.042 319 H LYS 40 H LYS 40 6.797 -12.257 -0.798 320 HA LYS 40 HA LYS 40 7.668 -12.639 1.943 321 1HB LYS 40 1HB LYS 40 7.435 -14.824 0.092 322 2HB LYS 40 2HB LYS 40 9.134 -14.529 0.402 323 1HG LYS 40 1HG LYS 40 8.365 -14.367 2.939 324 2HG LYS 40 2HG LYS 40 6.946 -15.229 2.378 325 1HD LYS 40 1HD LYS 40 8.179 -17.121 2.694 326 2HD LYS 40 2HD LYS 40 8.975 -16.697 1.191 327 1HE LYS 40 1HE LYS 40 10.588 -15.257 2.640 328 2HE LYS 40 2HE LYS 40 9.911 -16.089 4.026 329 1HZ LYS 40 1HZ LYS 40 11.484 -17.190 1.842 330 2HZ LYS 40 2HZ LYS 40 11.655 -17.413 3.450 331 3HZ LYS 40 3HZ LYS 40 10.452 -18.169 2.644 332 H ALA 41 H ALA 41 7.721 -10.451 -0.040 333 HA ALA 41 HA ALA 41 9.136 -9.078 -1.081 334 1HB ALA 41 1HB ALA 41 9.966 -8.206 0.837 335 2HB ALA 41 2HB ALA 41 10.234 -9.811 1.558 336 3HB ALA 41 3HB ALA 41 11.441 -9.122 0.446 337 H GLU 42 H GLU 42 9.114 -10.927 -2.812 338 HA GLU 42 HA GLU 42 11.894 -11.393 -3.420 339 1HB GLU 42 1HB GLU 42 10.307 -13.464 -2.366 340 2HB GLU 42 2HB GLU 42 10.289 -13.761 -4.093 341 1HG GLU 42 1HG GLU 42 12.527 -14.289 -4.165 342 2HG GLU 42 2HG GLU 42 12.968 -13.033 -3.025 343 H THR 43 H THR 43 12.214 -10.607 -5.453 344 HA THR 43 HA THR 43 10.047 -9.882 -7.105 345 HB THR 43 HB THR 43 12.594 -9.058 -6.857 346 HG1 THR 43 1HG THR 43 10.862 -8.163 -8.222 347 1HG2 THR 43 1HG2 THR 43 12.759 -10.644 -9.439 348 2HG2 THR 43 2HG2 THR 43 14.075 -9.895 -8.503 349 3HG2 THR 43 3HG2 THR 43 13.309 -11.392 -7.921 350 H GLY 44 H GLY 44 9.132 -10.785 -8.919 351 1HA GLY 44 1HA GLY 44 8.661 -12.363 -10.467 352 2HA GLY 44 2HA GLY 44 10.196 -13.140 -10.136 353 H HIS 45 H HIS 45 8.096 -12.467 -7.388 354 HA HIS 45 HA HIS 45 7.752 -15.321 -7.052 355 1HB HIS 45 1HB HIS 45 8.630 -13.927 -5.209 356 2HB HIS 45 2HB HIS 45 7.136 -13.010 -5.188 357 HD1 HIS 45 1HD HIS 45 7.297 -16.805 -5.503 358 HD2 HIS 45 2HD HIS 45 6.215 -13.863 -2.716 359 HE1 HIS 45 1HE HIS 45 6.176 -18.032 -3.567 360 H HIS 46 H HIS 46 5.684 -16.330 -6.730 361 HA HIS 46 HA HIS 46 3.498 -14.723 -7.836 362 1HB HIS 46 1HB HIS 46 2.583 -17.057 -8.465 363 2HB HIS 46 2HB HIS 46 3.852 -16.343 -9.441 364 HD1 HIS 46 1HD HIS 46 6.238 -17.424 -9.316 365 HD2 HIS 46 2HD HIS 46 3.319 -19.370 -7.017 366 HE1 HIS 46 1HE HIS 46 7.235 -19.677 -8.653 367 H PHE 47 H PHE 47 2.235 -14.035 -6.172 368 HA PHE 47 HA PHE 47 1.441 -16.082 -4.235 369 1HB PHE 47 1HB PHE 47 1.803 -14.476 -2.449 370 2HB PHE 47 2HB PHE 47 3.233 -14.348 -3.454 371 HD1 PHE 47 1HD PHE 47 0.202 -12.672 -2.328 372 HD2 PHE 47 2HD PHE 47 3.575 -12.389 -4.887 373 HE1 PHE 47 1HE PHE 47 -0.206 -10.209 -2.594 374 HE2 PHE 47 2HE PHE 47 3.166 -9.927 -5.154 375 HZ PHE 47 HZ PHE 47 1.281 -8.867 -4.004 376 H HIS 48 H HIS 48 -0.729 -15.985 -3.555 377 HA HIS 48 HA HIS 48 -2.377 -14.292 -5.231 378 1HB HIS 48 1HB HIS 48 -2.744 -16.819 -3.698 379 2HB HIS 48 2HB HIS 48 -4.150 -15.788 -3.866 380 HD1 HIS 48 1HD HIS 48 -1.479 -17.330 -6.153 381 HD2 HIS 48 2HD HIS 48 -5.519 -16.202 -6.192 382 HE1 HIS 48 1HE HIS 48 -2.404 -18.061 -8.416 383 H LEU 49 H LEU 49 -4.425 -13.347 -4.107 384 HA LEU 49 HA LEU 49 -3.656 -12.320 -1.467 385 1HB LEU 49 1HB LEU 49 -3.153 -10.588 -3.013 386 2HB LEU 49 2HB LEU 49 -4.672 -10.799 -3.862 387 HG LEU 49 HG LEU 49 -5.666 -10.180 -1.452 388 1HD1 LEU 49 1HD1 LEU 49 -2.830 -9.457 -1.299 389 2HD1 LEU 49 2HD1 LEU 49 -3.933 -8.109 -0.933 390 3HD1 LEU 49 3HD1 LEU 49 -4.048 -9.629 -0.013 391 1HD2 LEU 49 1HD2 LEU 49 -6.457 -8.421 -2.562 392 2HD2 LEU 49 2HD2 LEU 49 -4.834 -7.722 -2.775 393 3HD2 LEU 49 3HD2 LEU 49 -5.436 -8.941 -3.924 394 H GLN 50 H GLN 50 -5.125 -12.849 0.051 395 HA GLN 50 HA GLN 50 -7.677 -13.801 -0.878 396 1HB GLN 50 1HB GLN 50 -6.210 -13.889 1.776 397 2HB GLN 50 2HB GLN 50 -7.910 -14.303 1.683 398 1HG GLN 50 1HG GLN 50 -6.314 -15.611 -0.433 399 2HG GLN 50 2HG GLN 50 -5.765 -16.034 1.177 400 1HE2 GLN 50 1HE2 GLN 50 -8.123 -16.458 -1.230 401 2HE2 GLN 50 2HE2 GLN 50 -9.218 -17.499 -0.383 402 H SER 51 H SER 51 -8.402 -11.615 -1.604 403 HA SER 51 HA SER 51 -8.806 -9.700 0.487 404 1HB SER 51 1HB SER 51 -9.094 -8.178 -1.203 405 2HB SER 51 2HB SER 51 -8.303 -9.414 -2.160 406 HG SER 51 HG SER 51 -11.159 -9.001 -1.898 407 HA PRO 52 HA PRO 52 -13.019 -10.579 1.167 408 1HB PRO 52 1HB PRO 52 -14.282 -8.157 1.255 409 2HB PRO 52 2HB PRO 52 -13.325 -8.788 2.581 410 1HG PRO 52 1HG PRO 52 -12.637 -6.660 0.648 411 2HG PRO 52 2HG PRO 52 -11.907 -7.009 2.202 412 1HD PRO 52 1HD PRO 52 -10.831 -7.642 -0.380 413 2HD PRO 52 2HD PRO 52 -10.159 -8.092 1.174 414 H PHE 53 H PHE 53 -12.852 -8.172 -1.406 415 HA PHE 53 HA PHE 53 -15.267 -9.199 -2.555 416 1HB PHE 53 1HB PHE 53 -13.143 -7.092 -3.093 417 2HB PHE 53 2HB PHE 53 -14.157 -7.563 -4.443 418 HD1 PHE 53 1HD PHE 53 -16.780 -7.650 -3.766 419 HD2 PHE 53 2HD PHE 53 -13.820 -5.250 -1.899 420 HE1 PHE 53 1HE PHE 53 -18.561 -6.066 -2.979 421 HE2 PHE 53 2HE PHE 53 -15.601 -3.666 -1.112 422 HZ PHE 53 HZ PHE 53 -17.950 -4.093 -1.661 423 H GLY 54 H GLY 54 -13.694 -11.408 -2.350 424 1HA GLY 54 1HA GLY 54 -13.176 -13.158 -3.711 425 2HA GLY 54 2HA GLY 54 -13.289 -12.117 -5.116 426 HA PRO 55 HA PRO 55 -8.860 -12.676 -3.642 427 1HB PRO 55 1HB PRO 55 -8.090 -15.125 -4.579 428 2HB PRO 55 2HB PRO 55 -8.562 -14.841 -2.915 429 1HG PRO 55 1HG PRO 55 -10.083 -16.174 -5.071 430 2HG PRO 55 2HG PRO 55 -10.338 -16.251 -3.339 431 1HD PRO 55 1HD PRO 55 -11.868 -14.734 -5.233 432 2HD PRO 55 2HD PRO 55 -12.047 -14.722 -3.489 433 H SER 56 H SER 56 -7.001 -12.167 -4.843 434 HA SER 56 HA SER 56 -7.481 -12.364 -7.700 435 1HB SER 56 1HB SER 56 -7.466 -9.924 -6.137 436 2HB SER 56 2HB SER 56 -6.087 -9.908 -7.218 437 HG SER 56 HG SER 56 -8.862 -10.300 -7.953 438 HA PRO 57 HA PRO 57 -3.291 -13.541 -7.682 439 1HB PRO 57 1HB PRO 57 -2.563 -13.060 -10.272 440 2HB PRO 57 2HB PRO 57 -3.460 -14.482 -9.777 441 1HG PRO 57 1HG PRO 57 -4.433 -12.077 -11.194 442 2HG PRO 57 2HG PRO 57 -5.183 -13.656 -11.068 443 1HD PRO 57 1HD PRO 57 -5.922 -11.285 -9.632 444 2HD PRO 57 2HD PRO 57 -6.595 -12.890 -9.423 445 H CYS 58 H CYS 58 -1.122 -12.912 -7.456 446 HA CYS 58 HA CYS 58 -0.658 -10.110 -8.033 447 1HB CYS 58 1HB CYS 58 -0.181 -11.216 -5.248 448 2HB CYS 58 2HB CYS 58 0.139 -9.585 -5.802 449 HG CYS 58 HG CYS 58 -1.994 -9.527 -4.321 450 H GLN 59 H GLN 59 1.648 -9.662 -8.243 451 HA GLN 59 HA GLN 59 3.446 -11.836 -7.765 452 1HB GLN 59 1HB GLN 59 2.674 -12.490 -9.969 453 2HB GLN 59 2HB GLN 59 2.832 -10.856 -10.581 454 1HG GLN 59 1HG GLN 59 5.103 -11.044 -10.892 455 2HG GLN 59 2HG GLN 59 5.338 -11.943 -9.406 456 1HE2 GLN 59 1HE2 GLN 59 3.995 -12.200 -12.679 457 2HE2 GLN 59 2HE2 GLN 59 4.374 -13.869 -12.949 458 H VAL 60 H VAL 60 5.318 -10.965 -6.976 459 HA VAL 60 HA VAL 60 5.635 -8.178 -6.853 460 HB VAL 60 HB VAL 60 7.727 -10.312 -6.412 461 1HG1 VAL 60 1HG1 VAL 60 7.345 -7.525 -5.269 462 2HG1 VAL 60 2HG1 VAL 60 8.557 -8.698 -4.700 463 3HG1 VAL 60 3HG1 VAL 60 8.637 -8.071 -6.365 464 1HG2 VAL 60 1HG2 VAL 60 6.671 -9.742 -3.929 465 2HG2 VAL 60 2HG2 VAL 60 5.225 -9.779 -4.966 466 3HG2 VAL 60 3HG2 VAL 60 6.311 -11.188 -4.903 467 H THR 61 H THR 61 6.909 -6.741 -8.029 468 HA THR 61 HA THR 61 8.075 -7.879 -10.485 469 HB THR 61 HB THR 61 7.395 -5.822 -11.577 470 HG1 THR 61 1HG THR 61 6.590 -4.086 -10.167 471 1HG2 THR 61 1HG2 THR 61 5.153 -6.348 -9.568 472 2HG2 THR 61 2HG2 THR 61 4.997 -5.715 -11.224 473 3HG2 THR 61 3HG2 THR 61 5.455 -7.415 -10.960 474 H ASP 62 H ASP 62 8.530 -5.716 -7.686 475 HA ASP 62 HA ASP 62 11.352 -5.897 -8.198 476 1HB ASP 62 1HB ASP 62 9.780 -3.481 -8.673 477 2HB ASP 62 2HB ASP 62 10.926 -3.197 -7.379 478 H VAL 63 H VAL 63 12.431 -6.098 -6.195 479 HA VAL 63 HA VAL 63 11.411 -4.879 -3.836 480 HB VAL 63 HB VAL 63 9.829 -6.644 -3.855 481 1HG1 VAL 63 1HG1 VAL 63 10.522 -9.047 -3.966 482 2HG1 VAL 63 2HG1 VAL 63 10.796 -8.144 -5.475 483 3HG1 VAL 63 3HG1 VAL 63 12.163 -8.507 -4.395 484 1HG2 VAL 63 1HG2 VAL 63 10.121 -7.369 -1.716 485 2HG2 VAL 63 2HG2 VAL 63 11.789 -7.916 -2.009 486 3HG2 VAL 63 3HG2 VAL 63 11.451 -6.186 -1.759 487 H GLU 64 H GLU 64 13.345 -4.069 -3.184 488 HA GLU 64 HA GLU 64 15.378 -5.968 -2.542 489 1HB GLU 64 1HB GLU 64 15.872 -5.429 -4.934 490 2HB GLU 64 2HB GLU 64 15.980 -3.728 -4.524 491 1HG GLU 64 1HG GLU 64 18.181 -4.068 -4.085 492 2HG GLU 64 2HG GLU 64 17.686 -4.954 -2.656 493 H ARG 65 H ARG 65 15.551 -5.402 -0.403 494 HA ARG 65 HA ARG 65 15.843 -4.223 1.384 495 1HB ARG 65 1HB ARG 65 17.654 -3.094 -0.570 496 2HB ARG 65 2HB ARG 65 17.075 -1.784 0.438 497 1HG ARG 65 1HG ARG 65 18.752 -2.460 1.851 498 2HG ARG 65 2HG ARG 65 17.574 -3.646 2.375 499 1HD ARG 65 1HD ARG 65 18.734 -5.388 1.443 500 2HD ARG 65 2HD ARG 65 19.038 -4.512 -0.044 501 HE ARG 65 HE ARG 65 20.808 -4.672 2.275 502 1HH1 ARG 65 2HH2 ARG 65 19.943 -2.737 -0.534 503 2HH1 ARG 65 1HH2 ARG 65 21.487 -1.959 -0.633 504 1HH2 ARG 65 2HH1 ARG 65 22.845 -3.645 2.146 505 2HH2 ARG 65 1HH1 ARG 65 23.149 -2.478 0.902 506 HA PRO 66 HA PRO 66 12.862 -1.050 1.720 507 1HB PRO 66 1HB PRO 66 13.730 0.549 3.759 508 2HB PRO 66 2HB PRO 66 12.958 -1.002 4.020 509 1HG PRO 66 1HG PRO 66 15.817 -0.290 4.264 510 2HG PRO 66 2HG PRO 66 14.972 -1.681 4.915 511 1HD PRO 66 1HD PRO 66 16.691 -1.637 2.619 512 2HD PRO 66 2HD PRO 66 15.756 -2.999 3.203 513 H ILE 67 H ILE 67 13.572 -0.437 -0.538 514 HA ILE 67 HA ILE 67 13.975 2.428 -0.423 515 HB ILE 67 HB ILE 67 15.758 2.277 -2.180 516 1HG1 ILE 67 1HG1 ILE 67 17.062 -0.065 -1.681 517 2HG1 ILE 67 2HG1 ILE 67 15.396 -0.607 -1.617 518 1HG2 ILE 67 1HG2 ILE 67 16.112 2.815 0.258 519 2HG2 ILE 67 2HG2 ILE 67 16.590 1.116 0.486 520 3HG2 ILE 67 3HG2 ILE 67 17.529 2.167 -0.602 521 1HD1 ILE 67 1HD1 ILE 67 15.055 -0.261 -3.857 522 2HD1 ILE 67 2HD1 ILE 67 15.997 1.248 -3.868 523 3HD1 ILE 67 3HD1 ILE 67 16.832 -0.322 -3.940 524 H LYS 68 H LYS 68 13.542 -0.556 -2.418 525 HA LYS 68 HA LYS 68 11.447 0.884 -3.853 526 1HB LYS 68 1HB LYS 68 13.536 1.052 -5.191 527 2HB LYS 68 2HB LYS 68 13.639 -0.696 -5.232 528 1HG LYS 68 1HG LYS 68 12.116 -0.826 -6.912 529 2HG LYS 68 2HG LYS 68 10.960 0.144 -6.021 530 1HD LYS 68 1HD LYS 68 11.467 2.030 -7.199 531 2HD LYS 68 2HD LYS 68 13.192 1.778 -7.026 532 1HE LYS 68 1HE LYS 68 12.474 -0.256 -8.798 533 2HE LYS 68 2HE LYS 68 11.398 1.045 -9.270 534 1HZ LYS 68 1HZ LYS 68 14.167 1.735 -8.800 535 2HZ LYS 68 2HZ LYS 68 13.835 0.881 -10.151 536 3HZ LYS 68 3HZ LYS 68 13.120 2.328 -9.904 537 H LEU 69 H LEU 69 9.594 -0.268 -3.809 538 HA LEU 69 HA LEU 69 9.765 -3.159 -3.912 539 1HB LEU 69 1HB LEU 69 9.919 -2.560 -1.513 540 2HB LEU 69 2HB LEU 69 8.376 -1.738 -1.636 541 HG LEU 69 HG LEU 69 7.477 -4.042 -2.466 542 1HD1 LEU 69 1HD1 LEU 69 10.143 -4.745 -2.215 543 2HD1 LEU 69 2HD1 LEU 69 9.389 -5.425 -0.752 544 3HD1 LEU 69 3HD1 LEU 69 8.762 -5.858 -2.361 545 1HD2 LEU 69 1HD2 LEU 69 8.105 -4.303 0.399 546 2HD2 LEU 69 2HD2 LEU 69 7.418 -2.731 -0.076 547 3HD2 LEU 69 3HD2 LEU 69 6.536 -4.235 -0.439 548 H SER 70 H SER 70 8.233 -3.920 -5.281 549 HA SER 70 HA SER 70 5.795 -2.386 -5.516 550 1HB SER 70 1HB SER 70 7.626 -1.761 -7.315 551 2HB SER 70 2HB SER 70 7.191 -3.293 -8.046 552 HG SER 70 HG SER 70 5.514 -0.989 -7.599 553 H PHE 71 H PHE 71 4.002 -3.670 -6.416 554 HA PHE 71 HA PHE 71 4.522 -6.424 -7.045 555 1HB PHE 71 1HB PHE 71 3.382 -7.317 -5.112 556 2HB PHE 71 2HB PHE 71 4.409 -6.066 -4.441 557 HD1 PHE 71 1HD PHE 71 0.987 -7.095 -5.103 558 HD2 PHE 71 2HD PHE 71 3.437 -3.928 -3.696 559 HE1 PHE 71 1HE PHE 71 -1.022 -5.997 -4.075 560 HE2 PHE 71 2HE PHE 71 1.428 -2.830 -2.668 561 HZ PHE 71 HZ PHE 71 -0.778 -3.878 -2.870 562 H THR 72 H THR 72 2.866 -7.316 -8.296 563 HA THR 72 HA THR 72 0.837 -5.427 -9.143 564 HB THR 72 HB THR 72 0.479 -7.182 -10.907 565 HG1 THR 72 1HG THR 72 1.684 -9.133 -10.632 566 1HG2 THR 72 1HG2 THR 72 2.247 -5.983 -11.807 567 2HG2 THR 72 2HG2 THR 72 3.180 -6.045 -10.292 568 3HG2 THR 72 3HG2 THR 72 3.175 -7.445 -11.392 569 H TRP 73 H TRP 73 -1.434 -5.880 -9.206 570 HA TRP 73 HA TRP 73 -2.334 -8.077 -7.537 571 1HB TRP 73 1HB TRP 73 -2.049 -6.491 -5.827 572 2HB TRP 73 2HB TRP 73 -2.668 -5.177 -6.807 573 HD1 TRP 73 HD TRP 73 -4.674 -8.456 -6.655 574 HE1 TRP 73 1HE TRP 73 -6.967 -8.123 -5.392 575 HE3 TRP 73 3HE TRP 73 -3.697 -3.737 -5.033 576 HZ2 TRP 73 2HZ TRP 73 -8.090 -5.971 -3.891 577 HZ3 TRP 73 3HZ TRP 73 -5.445 -2.591 -3.675 578 HH2 TRP 73 HH TRP 73 -7.580 -3.632 -3.100 579 H ASP 74 H ASP 74 -4.160 -8.940 -8.468 580 HA ASP 74 HA ASP 74 -5.893 -9.180 -9.750 581 1HB ASP 74 1HB ASP 74 -6.113 -6.165 -10.096 582 2HB ASP 74 2HB ASP 74 -7.405 -7.346 -10.181 583 H THR 75 H THR 75 -6.631 -8.903 -12.119 584 HA THR 75 HA THR 75 -4.359 -8.001 -13.765 585 HB THR 75 HB THR 75 -4.620 -10.414 -13.904 586 HG1 THR 75 1HG THR 75 -4.404 -9.578 -16.003 587 1HG2 THR 75 1HG2 THR 75 -7.581 -9.753 -14.285 588 2HG2 THR 75 2HG2 THR 75 -6.879 -11.313 -14.775 589 3HG2 THR 75 3HG2 THR 75 -6.860 -10.827 -13.063 590 H ASP 76 H ASP 76 -6.038 -6.008 -12.915 591 HA ASP 76 HA ASP 76 -7.840 -5.673 -15.174 592 1HB ASP 76 1HB ASP 76 -8.586 -3.641 -13.645 593 2HB ASP 76 2HB ASP 76 -9.142 -5.262 -13.283 594 H GLY 77 H GLY 77 -4.856 -4.667 -13.653 595 1HA GLY 77 1HA GLY 77 -3.315 -3.434 -15.040 596 2HA GLY 77 2HA GLY 77 -4.638 -2.400 -15.539 597 H TRP 78 H TRP 78 -4.252 -3.570 -12.180 598 HA TRP 78 HA TRP 78 -3.744 -0.785 -11.398 599 1HB TRP 78 1HB TRP 78 -5.235 -3.044 -10.101 600 2HB TRP 78 2HB TRP 78 -4.568 -1.750 -9.126 601 HD1 TRP 78 HD TRP 78 -5.883 -0.638 -12.515 602 HE1 TRP 78 1HE TRP 78 -8.141 0.711 -12.307 603 HE3 TRP 78 3HE TRP 78 -6.678 -1.704 -7.607 604 HZ2 TRP 78 2HZ TRP 78 -9.966 1.171 -10.161 605 HZ3 TRP 78 3HZ TRP 78 -8.721 -0.766 -6.531 606 HH2 TRP 78 HH TRP 78 -10.336 0.627 -7.726 607 H SER 79 H SER 79 -1.852 -0.318 -10.293 608 HA SER 79 HA SER 79 -0.396 -2.520 -9.145 609 1HB SER 79 1HB SER 79 1.681 -1.206 -10.401 610 2HB SER 79 2HB SER 79 0.958 -2.700 -10.961 611 HG SER 79 HG SER 79 0.030 -1.678 -12.617 612 H VAL 80 H VAL 80 0.978 -1.843 -7.413 613 HA VAL 80 HA VAL 80 1.059 1.049 -6.944 614 HB VAL 80 HB VAL 80 -0.787 0.115 -5.660 615 1HG1 VAL 80 1HG1 VAL 80 -0.082 -2.201 -5.475 616 2HG1 VAL 80 2HG1 VAL 80 1.305 -1.732 -4.462 617 3HG1 VAL 80 3HG1 VAL 80 -0.354 -1.529 -3.849 618 1HG2 VAL 80 1HG2 VAL 80 0.006 1.880 -4.450 619 2HG2 VAL 80 2HG2 VAL 80 0.349 0.584 -3.278 620 3HG2 VAL 80 3HG2 VAL 80 1.648 1.205 -4.326 621 H THR 81 H THR 81 2.963 1.798 -5.941 622 HA THR 81 HA THR 81 5.000 -0.275 -5.469 623 HB THR 81 HB THR 81 5.417 2.445 -6.813 624 HG1 THR 81 1HG THR 81 4.199 1.042 -8.195 625 1HG2 THR 81 1HG2 THR 81 7.291 0.356 -7.524 626 2HG2 THR 81 2HG2 THR 81 7.634 1.908 -6.724 627 3HG2 THR 81 3HG2 THR 81 7.234 0.474 -5.749 628 H PHE 82 H PHE 82 6.285 -0.051 -3.681 629 HA PHE 82 HA PHE 82 5.545 2.206 -1.961 630 1HB PHE 82 1HB PHE 82 6.692 -0.598 -1.414 631 2HB PHE 82 2HB PHE 82 6.354 0.575 -0.157 632 HD1 PHE 82 1HD PHE 82 3.736 1.638 -1.111 633 HD2 PHE 82 2HD PHE 82 5.212 -2.336 -0.931 634 HE1 PHE 82 1HE PHE 82 1.386 0.773 -0.936 635 HE2 PHE 82 2HE PHE 82 2.863 -3.201 -0.756 636 HZ PHE 82 HZ PHE 82 0.978 -1.636 -0.760 637 H HIS 83 H HIS 83 7.126 3.566 -1.153 638 HA HIS 83 HA HIS 83 9.883 2.815 -1.792 639 1HB HIS 83 1HB HIS 83 8.437 5.406 -2.307 640 2HB HIS 83 2HB HIS 83 10.172 5.391 -2.064 641 HD1 HIS 83 1HD HIS 83 11.630 4.701 -4.027 642 HD2 HIS 83 2HD HIS 83 7.564 3.870 -4.638 643 HE1 HIS 83 1HE HIS 83 11.406 3.984 -6.465 644 H LEU 84 H LEU 84 11.026 2.555 0.053 645 HA LEU 84 HA LEU 84 10.137 4.098 2.384 646 1HB LEU 84 1HB LEU 84 11.488 1.423 2.100 647 2HB LEU 84 2HB LEU 84 11.489 2.307 3.613 648 HG LEU 84 HG LEU 84 8.819 2.332 2.968 649 1HD1 LEU 84 1HD1 LEU 84 9.941 -0.330 2.052 650 2HD1 LEU 84 2HD1 LEU 84 8.219 0.028 2.331 651 3HD1 LEU 84 3HD1 LEU 84 9.109 0.881 1.047 652 1HD2 LEU 84 1HD2 LEU 84 9.200 1.833 5.145 653 2HD2 LEU 84 2HD2 LEU 84 8.889 0.180 4.562 654 3HD2 LEU 84 3HD2 LEU 84 10.562 0.748 4.780 655 H LYS 85 H LYS 85 11.942 4.767 3.907 656 HA LYS 85 HA LYS 85 14.583 4.892 3.022 657 1HB LYS 85 1HB LYS 85 14.728 7.293 2.416 658 2HB LYS 85 2HB LYS 85 13.846 6.331 1.247 659 1HG LYS 85 1HG LYS 85 11.768 7.080 2.853 660 2HG LYS 85 2HG LYS 85 12.836 8.443 3.121 661 1HD LYS 85 1HD LYS 85 12.558 7.609 0.267 662 2HD LYS 85 2HD LYS 85 11.092 8.233 0.998 663 1HE LYS 85 1HE LYS 85 13.500 9.844 1.644 664 2HE LYS 85 2HE LYS 85 13.148 9.783 -0.072 665 1HZ LYS 85 1HZ LYS 85 10.844 10.398 0.520 666 2HZ LYS 85 2HZ LYS 85 11.323 10.633 2.063 667 3HZ LYS 85 3HZ LYS 85 11.944 11.555 0.867 668 H GLU 86 H GLU 86 15.553 4.810 4.969 669 HA GLU 86 HA GLU 86 14.194 5.670 7.269 670 1HB GLU 86 1HB GLU 86 16.167 3.875 6.815 671 2HB GLU 86 2HB GLU 86 17.161 5.221 7.336 672 1HG GLU 86 1HG GLU 86 14.791 4.857 9.057 673 2HG GLU 86 2HG GLU 86 15.799 3.424 9.010 674 H GLU 87 H GLU 87 14.112 7.677 8.193 675 HA GLU 87 HA GLU 87 15.877 9.670 7.057 676 1HB GLU 87 1HB GLU 87 13.138 9.637 8.094 677 2HB GLU 87 2HB GLU 87 14.070 10.925 8.831 678 1HG GLU 87 1HG GLU 87 12.886 11.528 6.638 679 2HG GLU 87 2HG GLU 87 14.592 11.922 6.712 680 H GLU 88 H GLU 88 15.871 11.577 9.164 681 HA GLU 88 HA GLU 88 18.056 10.973 10.545 682 1HB GLU 88 1HB GLU 88 15.755 12.813 10.991 683 2HB GLU 88 2HB GLU 88 16.742 12.514 12.408 684 1HG GLU 88 1HG GLU 88 18.177 13.099 9.825 685 2HG GLU 88 2HG GLU 88 17.353 14.434 10.606 686 H ASN 89 H ASN 89 15.086 11.179 12.567 687 HA ASN 89 HA ASN 89 15.940 8.666 13.777 688 1HB ASN 89 1HB ASN 89 14.889 11.253 14.931 689 2HB ASN 89 2HB ASN 89 14.423 9.771 15.743 690 1HD2 ASN 89 1HD2 ASN 89 16.114 11.926 16.671 691 2HD2 ASN 89 2HD2 ASN 89 17.662 11.256 17.063 692 H GLY 90 H GLY 90 14.383 8.228 11.636 693 1HA GLY 90 1HA GLY 90 12.032 7.063 12.590 694 2HA GLY 90 2HA GLY 90 11.606 8.623 11.915 695 H THR 91 H THR 91 10.528 6.464 10.656 696 HA THR 91 HA THR 91 12.245 6.072 8.293 697 HB THR 91 HB THR 91 9.999 4.355 9.477 698 HG1 THR 91 1HG THR 91 12.914 4.161 9.171 699 1HG2 THR 91 1HG2 THR 91 10.028 3.166 7.528 700 2HG2 THR 91 2HG2 THR 91 11.082 4.409 6.812 701 3HG2 THR 91 3HG2 THR 91 11.797 3.006 7.643 702 H ILE 92 H ILE 92 11.488 6.540 6.256 703 HA ILE 92 HA ILE 92 8.950 8.010 6.255 704 HB ILE 92 HB ILE 92 11.347 8.231 4.431 705 1HG1 ILE 92 1HG1 ILE 92 11.750 9.111 6.693 706 2HG1 ILE 92 2HG1 ILE 92 11.745 10.373 5.478 707 1HG2 ILE 92 1HG2 ILE 92 8.657 9.600 4.411 708 2HG2 ILE 92 2HG2 ILE 92 10.098 10.308 3.642 709 3HG2 ILE 92 3HG2 ILE 92 9.479 8.732 3.093 710 1HD1 ILE 92 1HD1 ILE 92 10.455 11.177 7.364 711 2HD1 ILE 92 2HD1 ILE 92 9.303 10.818 6.055 712 3HD1 ILE 92 3HD1 ILE 92 9.491 9.681 7.412 713 H PHE 93 H PHE 93 7.243 7.147 5.196 714 HA PHE 93 HA PHE 93 7.856 4.997 3.290 715 1HB PHE 93 1HB PHE 93 6.746 4.352 5.502 716 2HB PHE 93 2HB PHE 93 5.441 5.464 5.141 717 HD1 PHE 93 1HD PHE 93 6.706 2.149 4.687 718 HD2 PHE 93 2HD PHE 93 4.013 5.010 3.084 719 HE1 PHE 93 1HE PHE 93 5.484 0.321 3.476 720 HE2 PHE 93 2HE PHE 93 2.791 3.182 1.873 721 HZ PHE 93 HZ PHE 93 3.541 0.859 2.083 722 H THR 94 H THR 94 7.054 5.215 1.238 723 HA THR 94 HA THR 94 4.976 7.263 0.843 724 HB THR 94 HB THR 94 7.621 6.804 -0.608 725 HG1 THR 94 1HG THR 94 7.862 8.925 0.167 726 1HG2 THR 94 1HG2 THR 94 5.029 7.932 -1.634 727 2HG2 THR 94 2HG2 THR 94 6.489 8.909 -1.923 728 3HG2 THR 94 3HG2 THR 94 6.396 7.241 -2.540 729 H ILE 95 H ILE 95 3.330 6.785 -0.568 730 HA ILE 95 HA ILE 95 3.454 4.067 -1.679 731 HB ILE 95 HB ILE 95 1.885 4.064 0.076 732 1HG1 ILE 95 1HG1 ILE 95 1.242 3.230 -2.350 733 2HG1 ILE 95 2HG1 ILE 95 0.106 3.151 -1.018 734 1HG2 ILE 95 1HG2 ILE 95 0.827 6.652 -1.082 735 2HG2 ILE 95 2HG2 ILE 95 -0.022 5.695 0.156 736 3HG2 ILE 95 3HG2 ILE 95 1.579 6.388 0.510 737 1HD1 ILE 95 1HD1 ILE 95 0.266 5.464 -3.005 738 2HD1 ILE 95 2HD1 ILE 95 -0.905 4.127 -3.094 739 3HD1 ILE 95 3HD1 ILE 95 -0.950 5.259 -1.721 740 H VAL 96 H VAL 96 2.593 3.737 -3.795 741 HA VAL 96 HA VAL 96 1.797 6.129 -5.243 742 HB VAL 96 HB VAL 96 4.081 4.367 -6.149 743 1HG1 VAL 96 1HG1 VAL 96 4.380 6.080 -7.897 744 2HG1 VAL 96 2HG1 VAL 96 2.778 5.309 -7.992 745 3HG1 VAL 96 3HG1 VAL 96 2.941 6.939 -7.295 746 1HG2 VAL 96 1HG2 VAL 96 4.867 5.655 -4.276 747 2HG2 VAL 96 2HG2 VAL 96 5.492 6.407 -5.764 748 3HG2 VAL 96 3HG2 VAL 96 4.111 7.137 -4.910 749 H HIS 97 H HIS 97 -0.121 5.568 -6.124 750 HA HIS 97 HA HIS 97 -0.299 2.856 -7.216 751 1HB HIS 97 1HB HIS 97 -1.582 2.914 -5.177 752 2HB HIS 97 2HB HIS 97 -2.382 4.399 -5.653 753 HD1 HIS 97 1HD HIS 97 -4.552 4.174 -6.920 754 HD2 HIS 97 2HD HIS 97 -2.335 0.613 -6.880 755 HE1 HIS 97 1HE HIS 97 -6.047 2.390 -7.964 756 H SER 98 H SER 98 -0.393 2.974 -9.398 757 HA SER 98 HA SER 98 -1.781 5.298 -10.487 758 1HB SER 98 1HB SER 98 0.455 3.661 -11.765 759 2HB SER 98 2HB SER 98 -0.336 5.043 -12.497 760 HG SER 98 HG SER 98 0.965 5.242 -9.929 761 H GLY 99 H GLY 99 -2.940 4.883 -12.601 762 1HA GLY 99 1HA GLY 99 -3.532 2.956 -14.115 763 2HA GLY 99 2HA GLY 99 -4.002 2.125 -12.645 764 H TRP 100 H TRP 100 -4.485 5.434 -14.095 765 HA TRP 100 HA TRP 100 -7.362 5.037 -13.739 766 1HB TRP 100 1HB TRP 100 -5.992 7.602 -12.941 767 2HB TRP 100 2HB TRP 100 -7.675 7.163 -12.730 768 HD1 TRP 100 HD TRP 100 -4.220 6.524 -11.160 769 HE1 TRP 100 1HE TRP 100 -4.439 5.436 -8.766 770 HE3 TRP 100 3HE TRP 100 -9.235 5.717 -11.409 771 HZ2 TRP 100 2HZ TRP 100 -6.635 4.384 -7.278 772 HZ3 TRP 100 3HZ TRP 100 -10.339 4.655 -9.442 773 HH2 TRP 100 HH TRP 100 -9.123 3.995 -7.427 774 H LYS 101 H LYS 101 -8.516 6.958 -14.985 775 HA LYS 101 HA LYS 101 -6.970 7.406 -17.443 776 1HB LYS 101 1HB LYS 101 -9.937 6.915 -17.066 777 2HB LYS 101 2HB LYS 101 -9.217 7.448 -18.572 778 1HG LYS 101 1HG LYS 101 -7.697 5.410 -18.495 779 2HG LYS 101 2HG LYS 101 -8.573 4.861 -17.081 780 1HD LYS 101 1HD LYS 101 -10.314 4.091 -18.332 781 2HD LYS 101 2HD LYS 101 -10.424 5.586 -19.239 782 1HE LYS 101 1HE LYS 101 -8.119 3.722 -19.830 783 2HE LYS 101 2HE LYS 101 -9.710 3.290 -20.427 784 1HZ LYS 101 1HZ LYS 101 -8.133 5.665 -21.057 785 2HZ LYS 101 2HZ LYS 101 -8.807 4.585 -22.080 786 3HZ LYS 101 3HZ LYS 101 -9.749 5.661 -21.291 787 H GLN 102 H GLN 102 -8.493 9.322 -18.682 788 HA GLN 102 HA GLN 102 -7.659 11.605 -17.420 789 1HB GLN 102 1HB GLN 102 -9.016 12.804 -19.098 790 2HB GLN 102 2HB GLN 102 -8.162 11.461 -19.833 791 1HG GLN 102 1HG GLN 102 -10.111 10.184 -20.118 792 2HG GLN 102 2HG GLN 102 -10.940 10.947 -18.775 793 1HE2 GLN 102 1HE2 GLN 102 -12.754 11.549 -19.812 794 2HE2 GLN 102 2HE2 GLN 102 -12.836 12.727 -21.079 795 H GLY 103 H GLY 103 -8.700 13.229 -16.161 796 1HA GLY 103 1HA GLY 103 -10.528 12.355 -14.248 797 2HA GLY 103 2HA GLY 103 -10.107 14.019 -14.599 798 H ASP 104 H ASP 104 -12.272 11.302 -15.519 799 HA ASP 104 HA ASP 104 -14.485 12.892 -15.698 800 1HB ASP 104 1HB ASP 104 -12.836 13.104 -18.040 801 2HB ASP 104 2HB ASP 104 -14.229 12.142 -18.494 802 H THR 105 H THR 105 -13.171 10.420 -18.039 803 HA THR 105 HA THR 105 -15.267 8.759 -18.233 804 HB THR 105 HB THR 105 -13.566 7.015 -18.742 805 HG1 THR 105 1HG THR 105 -11.934 9.022 -17.355 806 1HG2 THR 105 1HG2 THR 105 -12.662 8.124 -20.549 807 2HG2 THR 105 2HG2 THR 105 -13.658 9.494 -20.005 808 3HG2 THR 105 3HG2 THR 105 -11.949 9.389 -19.519 809 H LYS 106 H LYS 106 -16.087 6.876 -17.219 810 HA LYS 106 HA LYS 106 -15.648 6.959 -14.331 811 1HB LYS 106 1HB LYS 106 -17.937 7.293 -15.011 812 2HB LYS 106 2HB LYS 106 -17.908 5.866 -16.027 813 1HG LYS 106 1HG LYS 106 -17.696 4.391 -14.107 814 2HG LYS 106 2HG LYS 106 -17.379 5.734 -13.027 815 1HD LYS 106 1HD LYS 106 -19.651 5.333 -12.606 816 2HD LYS 106 2HD LYS 106 -19.745 6.609 -13.802 817 1HE LYS 106 1HE LYS 106 -20.895 5.251 -15.208 818 2HE LYS 106 2HE LYS 106 -19.573 4.100 -15.218 819 1HZ LYS 106 1HZ LYS 106 -21.338 2.942 -14.342 820 2HZ LYS 106 2HZ LYS 106 -20.521 3.375 -12.996 821 3HZ LYS 106 3HZ LYS 106 -21.875 4.181 -13.424 822 H VAL 107 H VAL 107 -15.685 4.787 -13.181 823 HA VAL 107 HA VAL 107 -13.906 3.008 -14.652 824 HB VAL 107 HB VAL 107 -14.577 3.421 -11.744 825 1HG1 VAL 107 1HG1 VAL 107 -14.278 1.196 -11.488 826 2HG1 VAL 107 2HG1 VAL 107 -13.493 1.011 -13.075 827 3HG1 VAL 107 3HG1 VAL 107 -12.554 1.595 -11.680 828 1HG2 VAL 107 1HG2 VAL 107 -11.959 3.607 -11.774 829 2HG2 VAL 107 2HG2 VAL 107 -12.196 3.907 -13.513 830 3HG2 VAL 107 3HG2 VAL 107 -12.960 4.977 -12.312 831 H GLU 108 H GLU 108 -14.323 0.757 -14.882 832 HA GLU 108 HA GLU 108 -17.148 0.133 -14.509 833 1HB GLU 108 1HB GLU 108 -16.791 -1.540 -16.372 834 2HB GLU 108 2HB GLU 108 -16.605 0.133 -16.860 835 1HG GLU 108 1HG GLU 108 -14.161 -0.038 -16.755 836 2HG GLU 108 2HG GLU 108 -14.255 -1.639 -16.049 837 H LYS 109 H LYS 109 -15.823 -0.181 -12.212 838 HA LYS 109 HA LYS 109 -16.006 -2.920 -11.698 839 1HB LYS 109 1HB LYS 109 -13.711 -2.596 -12.993 840 2HB LYS 109 2HB LYS 109 -13.142 -2.087 -11.416 841 1HG LYS 109 1HG LYS 109 -13.026 -4.244 -10.735 842 2HG LYS 109 2HG LYS 109 -14.743 -4.448 -11.024 843 1HD LYS 109 1HD LYS 109 -14.166 -4.804 -13.509 844 2HD LYS 109 2HD LYS 109 -12.481 -4.862 -13.029 845 1HE LYS 109 1HE LYS 109 -13.062 -7.139 -12.976 846 2HE LYS 109 2HE LYS 109 -13.277 -6.686 -11.297 847 1HZ LYS 109 1HZ LYS 109 -15.260 -7.633 -11.698 848 2HZ LYS 109 2HZ LYS 109 -15.660 -6.130 -12.196 849 3HZ LYS 109 3HZ LYS 109 -15.277 -7.279 -13.292 850 H ALA 110 H ALA 110 -13.690 -0.406 -10.480 851 HA ALA 110 HA ALA 110 -14.053 -0.746 -7.848 852 1HB ALA 110 1HB ALA 110 -12.510 0.864 -9.009 853 2HB ALA 110 2HB ALA 110 -13.893 1.962 -9.228 854 3HB ALA 110 3HB ALA 110 -13.330 1.556 -7.589 855 H GLY 111 H GLY 111 -15.966 1.679 -9.778 856 1HA GLY 111 1HA GLY 111 -18.415 1.459 -9.557 857 2HA GLY 111 2HA GLY 111 -18.162 1.282 -7.832 858 H ALA 112 H ALA 112 -19.102 3.463 -10.149 859 HA ALA 112 HA ALA 112 -19.627 5.628 -9.886 860 1HB ALA 112 1HB ALA 112 -19.474 6.628 -7.845 861 2HB ALA 112 2HB ALA 112 -19.002 5.001 -7.301 862 3HB ALA 112 3HB ALA 112 -17.753 6.217 -7.659 863 H GLU 113 H GLU 113 -18.598 7.723 -10.468 864 HA GLU 113 HA GLU 113 -16.813 7.552 -12.397 865 1HB GLU 113 1HB GLU 113 -17.169 9.786 -10.362 866 2HB GLU 113 2HB GLU 113 -16.152 9.971 -11.778 867 1HG GLU 113 1HG GLU 113 -18.861 8.866 -12.346 868 2HG GLU 113 2HG GLU 113 -18.866 10.499 -11.711 869 H SER 114 H SER 114 -14.487 7.922 -12.666 870 HA SER 114 HA SER 114 -12.995 6.452 -10.849 871 1HB SER 114 1HB SER 114 -12.650 7.330 -13.430 872 2HB SER 114 2HB SER 114 -11.534 8.386 -12.587 873 HG SER 114 HG SER 114 -10.484 6.423 -13.241 874 H ALA 115 H ALA 115 -13.416 9.996 -11.383 875 HA ALA 115 HA ALA 115 -11.429 10.838 -9.609 876 1HB ALA 115 1HB ALA 115 -12.357 12.977 -9.927 877 2HB ALA 115 2HB ALA 115 -12.801 12.113 -11.419 878 3HB ALA 115 3HB ALA 115 -14.006 12.336 -10.127 879 H VAL 116 H VAL 116 -14.705 9.572 -9.147 880 HA VAL 116 HA VAL 116 -14.953 10.560 -6.480 881 HB VAL 116 HB VAL 116 -16.450 8.582 -8.189 882 1HG1 VAL 116 1HG1 VAL 116 -16.470 7.859 -5.782 883 2HG1 VAL 116 2HG1 VAL 116 -17.235 9.415 -5.379 884 3HG1 VAL 116 3HG1 VAL 116 -18.072 8.262 -6.447 885 1HG2 VAL 116 1HG2 VAL 116 -17.977 10.250 -8.548 886 2HG2 VAL 116 2HG2 VAL 116 -17.673 11.023 -6.973 887 3HG2 VAL 116 3HG2 VAL 116 -16.521 11.247 -8.311 888 H VAL 117 H VAL 117 -14.149 7.381 -8.024 889 HA VAL 117 HA VAL 117 -13.791 6.038 -5.583 890 HB VAL 117 HB VAL 117 -12.966 5.573 -8.436 891 1HG1 VAL 117 1HG1 VAL 117 -12.345 3.752 -6.085 892 2HG1 VAL 117 2HG1 VAL 117 -12.113 3.357 -7.805 893 3HG1 VAL 117 3HG1 VAL 117 -11.156 4.656 -7.054 894 1HG2 VAL 117 1HG2 VAL 117 -14.682 3.777 -6.734 895 2HG2 VAL 117 2HG2 VAL 117 -15.361 5.265 -7.437 896 3HG2 VAL 117 3HG2 VAL 117 -14.683 4.008 -8.499 897 H HIS 118 H HIS 118 -11.583 7.868 -7.766 898 HA HIS 118 HA HIS 118 -9.196 7.205 -6.640 899 1HB HIS 118 1HB HIS 118 -8.938 8.488 -8.501 900 2HB HIS 118 2HB HIS 118 -10.282 9.543 -8.111 901 HD1 HIS 118 1HD HIS 118 -9.723 11.795 -7.118 902 HD2 HIS 118 2HD HIS 118 -6.501 9.114 -6.950 903 HE1 HIS 118 1HE HIS 118 -7.716 13.140 -6.298 904 H GLU 119 H GLU 119 -11.403 9.919 -5.654 905 HA GLU 119 HA GLU 119 -9.848 10.763 -3.550 906 1HB GLU 119 1HB GLU 119 -12.798 10.955 -4.198 907 2HB GLU 119 2HB GLU 119 -12.211 11.563 -2.662 908 1HG GLU 119 1HG GLU 119 -10.399 12.816 -4.113 909 2HG GLU 119 2HG GLU 119 -11.475 12.492 -5.458 910 H ARG 120 H ARG 120 -12.573 8.375 -3.638 911 HA ARG 120 HA ARG 120 -12.646 7.895 -0.943 912 1HB ARG 120 1HB ARG 120 -13.596 6.581 -3.416 913 2HB ARG 120 2HB ARG 120 -13.263 5.423 -2.144 914 1HG ARG 120 1HG ARG 120 -14.601 7.315 -0.690 915 2HG ARG 120 2HG ARG 120 -15.341 7.580 -2.256 916 1HD ARG 120 1HD ARG 120 -16.694 5.918 -1.154 917 2HD ARG 120 2HD ARG 120 -15.781 5.060 -2.379 918 HE ARG 120 HE ARG 120 -14.519 3.987 -0.692 919 1HH1 ARG 120 2HH2 ARG 120 -16.516 6.529 0.699 920 2HH1 ARG 120 1HH2 ARG 120 -16.244 6.025 2.333 921 1HH2 ARG 120 2HH1 ARG 120 -14.159 3.322 1.465 922 2HH2 ARG 120 1HH1 ARG 120 -14.894 4.188 2.772 923 H MET 121 H MET 121 -11.084 5.832 -3.517 924 HA MET 121 HA MET 121 -9.813 4.136 -1.790 925 1HB MET 121 1HB MET 121 -9.244 5.119 -4.620 926 2HB MET 121 2HB MET 121 -8.149 3.978 -3.866 927 1HG MET 121 1HG MET 121 -11.155 3.546 -4.225 928 2HG MET 121 2HG MET 121 -9.910 2.833 -5.231 929 1HE MET 121 1HE MET 121 -8.209 1.393 -4.618 930 2HE MET 121 2HE MET 121 -7.564 1.734 -2.995 931 3HE MET 121 3HE MET 121 -8.304 0.153 -3.345 932 H ASP 122 H ASP 122 -8.767 7.325 -3.090 933 HA ASP 122 HA ASP 122 -6.147 7.192 -2.268 934 1HB ASP 122 1HB ASP 122 -6.960 8.954 -3.756 935 2HB ASP 122 2HB ASP 122 -8.073 9.542 -2.537 936 H ARG 123 H ARG 123 -9.152 8.418 -0.639 937 HA ARG 123 HA ARG 123 -7.943 9.406 1.612 938 1HB ARG 123 1HB ARG 123 -10.710 8.202 1.150 939 2HB ARG 123 2HB ARG 123 -10.264 8.928 2.682 940 1HG ARG 123 1HG ARG 123 -10.122 11.093 1.783 941 2HG ARG 123 2HG ARG 123 -9.753 10.518 0.169 942 1HD ARG 123 1HD ARG 123 -11.946 10.647 -0.400 943 2HD ARG 123 2HD ARG 123 -12.358 9.499 0.859 944 HE ARG 123 HE ARG 123 -11.938 12.000 2.133 945 1HH1 ARG 123 2HH2 ARG 123 -14.169 10.573 -0.184 946 2HH1 ARG 123 1HH2 ARG 123 -15.489 11.604 0.258 947 1HH2 ARG 123 2HH1 ARG 123 -13.678 13.361 2.716 948 2HH2 ARG 123 1HH1 ARG 123 -15.207 13.201 1.919 949 H GLY 124 H GLY 124 -9.522 6.166 1.076 950 1HA GLY 124 1HA GLY 124 -8.955 5.061 3.567 951 2HA GLY 124 2HA GLY 124 -9.231 4.177 2.079 952 H TRP 125 H TRP 125 -6.989 5.272 0.549 953 HA TRP 125 HA TRP 125 -5.006 3.468 1.298 954 1HB TRP 125 1HB TRP 125 -5.401 5.542 -0.729 955 2HB TRP 125 2HB TRP 125 -3.726 5.361 -0.249 956 HD1 TRP 125 HD TRP 125 -6.249 3.799 -2.502 957 HE1 TRP 125 1HE TRP 125 -5.412 1.547 -3.594 958 HE3 TRP 125 3HE TRP 125 -2.223 3.203 0.547 959 HZ2 TRP 125 2HZ TRP 125 -3.210 -0.191 -3.073 960 HZ3 TRP 125 3HZ TRP 125 -0.781 1.201 0.188 961 HH2 TRP 125 HH TRP 125 -1.220 -0.463 -1.547 962 H HIS 126 H HIS 126 -5.114 7.101 1.552 963 HA HIS 126 HA HIS 126 -2.750 7.358 2.945 964 1HB HIS 126 1HB HIS 126 -4.111 9.157 1.825 965 2HB HIS 126 2HB HIS 126 -5.198 9.124 3.199 966 HD1 HIS 126 1HD HIS 126 -1.365 9.053 3.246 967 HD2 HIS 126 2HD HIS 126 -4.569 11.455 4.496 968 HE1 HIS 126 1HE HIS 126 -0.344 10.957 4.603 969 H ASP 127 H ASP 127 -6.147 7.166 4.222 970 HA ASP 127 HA ASP 127 -5.525 7.324 6.857 971 1HB ASP 127 1HB ASP 127 -7.664 5.621 5.493 972 2HB ASP 127 2HB ASP 127 -7.646 5.972 7.210 973 H LEU 128 H LEU 128 -5.496 4.516 4.593 974 HA LEU 128 HA LEU 128 -5.082 2.536 6.542 975 1HB LEU 128 1HB LEU 128 -5.948 2.009 4.372 976 2HB LEU 128 2HB LEU 128 -4.522 2.650 3.580 977 HG LEU 128 HG LEU 128 -3.189 0.832 4.766 978 1HD1 LEU 128 1HD1 LEU 128 -5.679 -0.766 5.048 979 2HD1 LEU 128 2HD1 LEU 128 -4.157 -0.826 5.969 980 3HD1 LEU 128 3HD1 LEU 128 -5.350 0.452 6.303 981 1HD2 LEU 128 1HD2 LEU 128 -5.287 0.105 2.707 982 2HD2 LEU 128 2HD2 LEU 128 -3.628 0.680 2.414 983 3HD2 LEU 128 3HD2 LEU 128 -3.899 -0.923 3.139 984 H VAL 129 H VAL 129 -2.804 4.360 4.388 985 HA VAL 129 HA VAL 129 -0.588 3.265 5.923 986 HB VAL 129 HB VAL 129 -0.557 3.262 3.456 987 1HG1 VAL 129 1HG1 VAL 129 -1.125 5.040 2.234 988 2HG1 VAL 129 2HG1 VAL 129 -1.505 5.908 3.741 989 3HG1 VAL 129 3HG1 VAL 129 0.120 6.035 3.026 990 1HG2 VAL 129 1HG2 VAL 129 1.691 4.865 3.489 991 2HG2 VAL 129 2HG2 VAL 129 1.496 4.425 5.203 992 3HG2 VAL 129 3HG2 VAL 129 1.627 3.151 3.966 993 H ASN 130 H ASN 130 -2.421 4.968 7.344 994 HA ASN 130 HA ASN 130 -0.714 7.312 7.660 995 1HB ASN 130 1HB ASN 130 -3.657 7.001 7.490 996 2HB ASN 130 2HB ASN 130 -3.168 7.903 8.911 997 1HD2 ASN 130 1HD2 ASN 130 -0.969 9.242 8.151 998 2HD2 ASN 130 2HD2 ASN 130 -1.303 10.369 6.879 999 H GLU 131 H GLU 131 -3.149 5.175 9.342 1000 HA GLU 131 HA GLU 131 -1.398 5.268 11.670 1001 1HB GLU 131 1HB GLU 131 -3.435 5.221 13.117 1002 2HB GLU 131 2HB GLU 131 -3.326 6.683 12.157 1003 1HG GLU 131 1HG GLU 131 -5.531 6.136 11.705 1004 2HG GLU 131 2HG GLU 131 -4.768 5.238 10.409 1005 H ARG 132 H ARG 132 -4.016 3.524 9.887 1006 HA ARG 132 HA ARG 132 -4.116 1.250 11.290 1007 1HB ARG 132 1HB ARG 132 -4.109 1.549 8.244 1008 2HB ARG 132 2HB ARG 132 -4.675 0.119 9.085 1009 1HG ARG 132 1HG ARG 132 -5.864 2.663 10.076 1010 2HG ARG 132 2HG ARG 132 -6.260 2.289 8.410 1011 1HD ARG 132 1HD ARG 132 -7.679 0.617 9.028 1012 2HD ARG 132 2HD ARG 132 -6.475 -0.116 10.069 1013 HE ARG 132 HE ARG 132 -7.382 2.214 11.402 1014 1HH1 ARG 132 2HH2 ARG 132 -8.703 -0.865 10.326 1015 2HH1 ARG 132 1HH2 ARG 132 -9.905 -0.930 11.571 1016 1HH2 ARG 132 2HH1 ARG 132 -8.969 2.129 13.044 1017 2HH2 ARG 132 1HH1 ARG 132 -10.058 0.785 13.127 1018 H LEU 133 H LEU 133 -1.629 2.256 8.887 1019 HA LEU 133 HA LEU 133 -0.283 -0.268 8.990 1020 1HB LEU 133 1HB LEU 133 -0.184 0.887 6.951 1021 2HB LEU 133 2HB LEU 133 0.263 2.399 7.717 1022 HG LEU 133 HG LEU 133 2.484 1.588 8.197 1023 1HD1 LEU 133 1HD1 LEU 133 1.931 -0.735 8.733 1024 2HD1 LEU 133 2HD1 LEU 133 1.616 -1.063 7.012 1025 3HD1 LEU 133 3HD1 LEU 133 3.258 -0.637 7.551 1026 1HD2 LEU 133 1HD2 LEU 133 1.859 2.467 5.889 1027 2HD2 LEU 133 2HD2 LEU 133 3.374 1.543 6.020 1028 3HD2 LEU 133 3HD2 LEU 133 1.918 0.773 5.346 1029 H ARG 134 H ARG 134 0.309 3.075 10.262 1030 HA ARG 134 HA ARG 134 2.685 2.610 11.446 1031 1HB ARG 134 1HB ARG 134 1.569 4.831 11.340 1032 2HB ARG 134 2HB ARG 134 0.361 4.303 12.494 1033 1HG ARG 134 1HG ARG 134 2.668 3.729 13.888 1034 2HG ARG 134 2HG ARG 134 3.198 5.114 12.954 1035 1HD ARG 134 1HD ARG 134 0.679 5.056 14.688 1036 2HD ARG 134 2HD ARG 134 2.210 5.752 15.182 1037 HE ARG 134 HE ARG 134 0.269 6.960 13.398 1038 1HH1 ARG 134 2HH2 ARG 134 3.719 6.759 14.060 1039 2HH1 ARG 134 1HH2 ARG 134 4.075 8.299 13.352 1040 1HH2 ARG 134 2HH1 ARG 134 0.738 8.992 12.463 1041 2HH2 ARG 134 1HH1 ARG 134 2.368 9.578 12.438 1042 H GLN 135 H GLN 135 -0.620 1.794 12.600 1043 HA GLN 135 HA GLN 135 0.051 1.160 15.198 1044 1HB GLN 135 1HB GLN 135 -2.236 0.913 13.446 1045 2HB GLN 135 2HB GLN 135 -2.045 -0.593 14.321 1046 1HG GLN 135 1HG GLN 135 -1.641 1.763 16.054 1047 2HG GLN 135 2HG GLN 135 -3.227 1.754 15.308 1048 1HE2 GLN 135 1HE2 GLN 135 -1.818 1.036 18.030 1049 2HE2 GLN 135 2HE2 GLN 135 -2.654 -0.388 18.554 1050 H ILE 136 H ILE 136 0.870 -0.401 12.217 1051 HA ILE 136 HA ILE 136 1.060 -3.046 13.278 1052 HB ILE 136 HB ILE 136 2.263 -1.869 10.771 1053 1HG1 ILE 136 1HG1 ILE 136 -0.104 -1.437 10.737 1054 2HG1 ILE 136 2HG1 ILE 136 0.252 -2.749 9.630 1055 1HG2 ILE 136 1HG2 ILE 136 2.350 -4.138 9.960 1056 2HG2 ILE 136 2HG2 ILE 136 3.221 -4.033 11.509 1057 3HG2 ILE 136 3HG2 ILE 136 1.590 -4.743 11.451 1058 1HD1 ILE 136 1HD1 ILE 136 -0.217 -4.110 12.014 1059 2HD1 ILE 136 2HD1 ILE 136 -1.376 -2.761 12.094 1060 3HD1 ILE 136 3HD1 ILE 136 -1.406 -3.878 10.709 1061 H VAL 137 H VAL 137 3.036 -0.139 13.243 1062 HA VAL 137 HA VAL 137 5.286 -1.731 14.261 1063 HB VAL 137 HB VAL 137 6.654 0.250 13.613 1064 1HG1 VAL 137 1HG1 VAL 137 5.787 -1.876 12.087 1065 2HG1 VAL 137 2HG1 VAL 137 5.451 -0.481 11.033 1066 3HG1 VAL 137 3HG1 VAL 137 7.098 -0.753 11.652 1067 1HG2 VAL 137 1HG2 VAL 137 4.147 1.134 12.143 1068 2HG2 VAL 137 2HG2 VAL 137 4.810 1.910 13.602 1069 3HG2 VAL 137 3HG2 VAL 137 5.747 1.913 12.089 1070 H GLU 138 H GLU 138 2.705 0.362 15.069 1071 HA GLU 138 HA GLU 138 4.163 1.279 17.419 1072 1HB GLU 138 1HB GLU 138 1.995 2.464 15.739 1073 2HB GLU 138 2HB GLU 138 1.849 2.736 17.464 1074 1HG GLU 138 1HG GLU 138 4.610 3.140 16.496 1075 2HG GLU 138 2HG GLU 138 3.464 4.195 15.694 Start of MODEL 11 1 1H MET 1 H MET 1 -6.694 19.410 -19.735 2 HA MET 1 HA MET 1 -5.091 19.574 -17.958 3 1HB MET 1 1HB MET 1 -5.116 21.587 -16.516 4 2HB MET 1 2HB MET 1 -4.876 22.085 -18.179 5 1HG MET 1 1HG MET 1 -7.723 21.961 -17.703 6 2HG MET 1 2HG MET 1 -6.999 22.847 -16.376 7 1HE MET 1 1HE MET 1 -8.898 23.362 -18.972 8 2HE MET 1 2HE MET 1 -8.305 24.678 -20.013 9 3HE MET 1 3HE MET 1 -7.794 23.001 -20.321 10 H THR 2 H THR 2 -6.984 17.853 -18.057 11 HA THR 2 HA THR 2 -8.291 17.989 -15.508 12 HB THR 2 HB THR 2 -9.962 19.259 -16.706 13 HG1 THR 2 1HG THR 2 -10.766 17.377 -15.519 14 1HG2 THR 2 1HG2 THR 2 -9.936 17.068 -18.843 15 2HG2 THR 2 2HG2 THR 2 -10.905 18.561 -18.851 16 3HG2 THR 2 3HG2 THR 2 -9.139 18.646 -19.052 17 H ARG 3 H ARG 3 -7.913 16.055 -14.649 18 HA ARG 3 HA ARG 3 -8.765 13.743 -15.873 19 1HB ARG 3 1HB ARG 3 -6.577 12.623 -16.353 20 2HB ARG 3 2HB ARG 3 -6.841 14.005 -17.397 21 1HG ARG 3 1HG ARG 3 -5.433 14.592 -14.823 22 2HG ARG 3 2HG ARG 3 -4.542 13.597 -15.957 23 1HD ARG 3 1HD ARG 3 -5.198 15.400 -17.747 24 2HD ARG 3 2HD ARG 3 -5.615 16.412 -16.379 25 HE ARG 3 HE ARG 3 -3.330 16.610 -15.828 26 1HH1 ARG 3 2HH2 ARG 3 -3.771 14.123 -18.279 27 2HH1 ARG 3 1HH2 ARG 3 -2.078 13.972 -18.612 28 1HH2 ARG 3 2HH1 ARG 3 -1.096 16.410 -16.267 29 2HH2 ARG 3 1HH1 ARG 3 -0.546 15.281 -17.460 30 H LEU 4 H LEU 4 -7.188 11.770 -14.684 31 HA LEU 4 HA LEU 4 -7.317 12.561 -11.863 32 1HB LEU 4 1HB LEU 4 -7.754 9.943 -13.281 33 2HB LEU 4 2HB LEU 4 -7.434 10.018 -11.559 34 HG LEU 4 HG LEU 4 -9.702 11.550 -12.842 35 1HD1 LEU 4 1HD1 LEU 4 -10.575 9.547 -13.366 36 2HD1 LEU 4 2HD1 LEU 4 -9.487 8.662 -12.269 37 3HD1 LEU 4 3HD1 LEU 4 -10.943 9.460 -11.627 38 1HD2 LEU 4 1HD2 LEU 4 -10.187 12.268 -10.794 39 2HD2 LEU 4 2HD2 LEU 4 -10.060 10.630 -10.109 40 3HD2 LEU 4 3HD2 LEU 4 -8.602 11.637 -10.285 41 HA PRO 5 HA PRO 5 -2.971 12.155 -12.062 42 1HB PRO 5 1HB PRO 5 -2.430 13.151 -9.576 43 2HB PRO 5 2HB PRO 5 -2.633 14.165 -10.991 44 1HG PRO 5 1HG PRO 5 -4.506 13.716 -8.748 45 2HG PRO 5 2HG PRO 5 -4.494 15.014 -9.926 46 1HD PRO 5 1HD PRO 5 -6.248 12.744 -9.889 47 2HD PRO 5 2HD PRO 5 -6.159 13.980 -11.128 48 H ASP 6 H ASP 6 -1.277 11.525 -10.008 49 HA ASP 6 HA ASP 6 -2.078 8.780 -9.700 50 1HB ASP 6 1HB ASP 6 0.318 8.697 -8.625 51 2HB ASP 6 2HB ASP 6 0.172 8.903 -10.358 52 H ILE 7 H ILE 7 -2.433 7.798 -7.623 53 HA ILE 7 HA ILE 7 -2.986 9.675 -5.499 54 HB ILE 7 HB ILE 7 -3.406 6.690 -5.683 55 1HG1 ILE 7 1HG1 ILE 7 -5.258 9.014 -6.276 56 2HG1 ILE 7 2HG1 ILE 7 -4.679 7.805 -7.405 57 1HG2 ILE 7 1HG2 ILE 7 -3.317 7.328 -3.381 58 2HG2 ILE 7 2HG2 ILE 7 -4.355 8.744 -3.672 59 3HG2 ILE 7 3HG2 ILE 7 -5.028 7.103 -3.821 60 1HD1 ILE 7 1HD1 ILE 7 -6.663 6.767 -6.909 61 2HD1 ILE 7 2HD1 ILE 7 -5.770 6.176 -5.487 62 3HD1 ILE 7 3HD1 ILE 7 -6.823 7.604 -5.347 63 H LYS 8 H LYS 8 -0.528 10.193 -5.537 64 HA LYS 8 HA LYS 8 0.992 8.174 -4.090 65 1HB LYS 8 1HB LYS 8 2.244 8.996 -5.875 66 2HB LYS 8 2HB LYS 8 1.684 10.642 -5.660 67 1HG LYS 8 1HG LYS 8 2.928 10.718 -3.447 68 2HG LYS 8 2HG LYS 8 3.569 9.125 -3.796 69 1HD LYS 8 1HD LYS 8 4.422 10.151 -6.037 70 2HD LYS 8 2HD LYS 8 4.071 11.711 -5.321 71 1HE LYS 8 1HE LYS 8 5.676 11.403 -3.566 72 2HE LYS 8 2HE LYS 8 5.768 9.673 -3.832 73 1HZ LYS 8 1HZ LYS 8 6.879 11.812 -5.479 74 2HZ LYS 8 2HZ LYS 8 7.633 10.506 -4.853 75 3HZ LYS 8 3HZ LYS 8 6.616 10.332 -6.119 76 H LYS 9 H LYS 9 1.513 8.327 -1.945 77 HA LYS 9 HA LYS 9 0.960 10.876 -0.628 78 1HB LYS 9 1HB LYS 9 -0.087 8.203 0.350 79 2HB LYS 9 2HB LYS 9 -0.228 9.735 1.187 80 1HG LYS 9 1HG LYS 9 -1.277 9.405 -1.648 81 2HG LYS 9 2HG LYS 9 -2.246 8.923 -0.270 82 1HD LYS 9 1HD LYS 9 -1.838 11.292 0.679 83 2HD LYS 9 2HD LYS 9 -1.174 11.710 -0.887 84 1HE LYS 9 1HE LYS 9 -3.299 11.146 -2.000 85 2HE LYS 9 2HE LYS 9 -3.971 10.544 -0.497 86 1HZ LYS 9 1HZ LYS 9 -4.739 12.705 -0.712 87 2HZ LYS 9 2HZ LYS 9 -3.530 12.844 0.377 88 3HZ LYS 9 3HZ LYS 9 -3.293 13.310 -1.170 89 H GLU 10 H GLU 10 1.880 10.784 1.718 90 HA GLU 10 HA GLU 10 4.033 8.918 1.989 91 1HB GLU 10 1HB GLU 10 5.083 10.649 0.583 92 2HB GLU 10 2HB GLU 10 4.574 11.905 1.694 93 1HG GLU 10 1HG GLU 10 6.268 9.589 2.687 94 2HG GLU 10 2HG GLU 10 7.023 10.942 1.869 95 H VAL 11 H VAL 11 4.454 8.510 4.160 96 HA VAL 11 HA VAL 11 3.451 10.468 6.087 97 HB VAL 11 HB VAL 11 2.546 8.523 7.407 98 1HG1 VAL 11 1HG1 VAL 11 0.510 9.092 6.654 99 2HG1 VAL 11 2HG1 VAL 11 1.367 10.124 5.483 100 3HG1 VAL 11 3HG1 VAL 11 0.849 8.487 5.015 101 1HG2 VAL 11 1HG2 VAL 11 3.828 6.863 5.833 102 2HG2 VAL 11 2HG2 VAL 11 2.235 6.417 6.491 103 3HG2 VAL 11 3HG2 VAL 11 2.374 7.005 4.816 104 H ARG 12 H ARG 12 4.382 10.090 8.299 105 HA ARG 12 HA ARG 12 6.911 8.671 8.066 106 1HB ARG 12 1HB ARG 12 7.333 11.108 7.978 107 2HB ARG 12 2HB ARG 12 6.376 11.360 9.424 108 1HG ARG 12 1HG ARG 12 8.110 9.559 10.444 109 2HG ARG 12 2HG ARG 12 9.127 10.160 9.150 110 1HD ARG 12 1HD ARG 12 9.526 12.115 10.250 111 2HD ARG 12 2HD ARG 12 7.818 12.386 10.533 112 HE ARG 12 HE ARG 12 9.685 11.416 12.462 113 1HH1 ARG 12 2HH2 ARG 12 6.420 10.754 11.330 114 2HH1 ARG 12 1HH2 ARG 12 5.884 10.121 12.851 115 1HH2 ARG 12 2HH1 ARG 12 8.979 10.581 14.468 116 2HH2 ARG 12 1HH1 ARG 12 7.349 10.022 14.648 117 H PHE 13 H PHE 13 7.329 7.237 9.754 118 HA PHE 13 HA PHE 13 5.635 7.513 12.134 119 1HB PHE 13 1HB PHE 13 6.570 4.988 10.641 120 2HB PHE 13 2HB PHE 13 5.589 4.976 12.092 121 HD1 PHE 13 1HD PHE 13 3.833 7.383 11.212 122 HD2 PHE 13 2HD PHE 13 5.006 3.788 9.286 123 HE1 PHE 13 1HE PHE 13 1.754 7.458 9.808 124 HE2 PHE 13 2HE PHE 13 2.927 3.863 7.882 125 HZ PHE 13 HZ PHE 13 1.326 5.696 8.159 126 H ASN 14 H ASN 14 6.574 6.755 14.137 127 HA ASN 14 HA ASN 14 9.436 6.987 14.061 128 1HB ASN 14 1HB ASN 14 7.393 7.736 15.889 129 2HB ASN 14 2HB ASN 14 8.252 6.443 16.703 130 1HD2 ASN 14 1HD2 ASN 14 8.269 8.991 17.677 131 2HD2 ASN 14 2HD2 ASN 14 9.845 9.698 17.544 132 H ALA 15 H ALA 15 10.373 4.985 13.478 133 HA ALA 15 HA ALA 15 10.417 2.903 15.313 134 1HB ALA 15 1HB ALA 15 8.011 2.854 13.988 135 2HB ALA 15 2HB ALA 15 9.006 1.802 12.953 136 3HB ALA 15 3HB ALA 15 8.812 1.424 14.682 137 HA PRO 16 HA PRO 16 13.695 1.850 12.695 138 1HB PRO 16 1HB PRO 16 14.011 -0.842 13.045 139 2HB PRO 16 2HB PRO 16 14.576 0.348 14.201 140 1HG PRO 16 1HG PRO 16 12.224 -1.434 14.375 141 2HG PRO 16 2HG PRO 16 13.041 -0.566 15.660 142 1HD PRO 16 1HD PRO 16 10.550 0.140 14.426 143 2HD PRO 16 2HD PRO 16 11.425 1.069 15.628 144 H ILE 17 H ILE 17 14.175 1.656 10.577 145 HA ILE 17 HA ILE 17 12.062 1.014 8.873 146 HB ILE 17 HB ILE 17 13.913 2.521 8.332 147 1HG1 ILE 17 1HG1 ILE 17 13.937 0.290 6.305 148 2HG1 ILE 17 2HG1 ILE 17 12.474 1.203 6.616 149 1HG2 ILE 17 1HG2 ILE 17 15.610 0.025 8.057 150 2HG2 ILE 17 2HG2 ILE 17 16.102 1.703 7.722 151 3HG2 ILE 17 3HG2 ILE 17 15.723 1.202 9.387 152 1HD1 ILE 17 1HD1 ILE 17 13.320 3.159 5.705 153 2HD1 ILE 17 2HD1 ILE 17 14.990 2.789 6.199 154 3HD1 ILE 17 3HD1 ILE 17 14.283 1.984 4.777 155 H GLU 18 H GLU 18 14.563 -0.943 10.438 156 HA GLU 18 HA GLU 18 14.492 -3.101 8.717 157 1HB GLU 18 1HB GLU 18 15.869 -2.438 11.007 158 2HB GLU 18 2HB GLU 18 14.826 -3.709 11.612 159 1HG GLU 18 1HG GLU 18 15.874 -4.539 9.043 160 2HG GLU 18 2HG GLU 18 17.210 -3.978 10.027 161 H LYS 19 H LYS 19 12.249 -1.991 11.224 162 HA LYS 19 HA LYS 19 10.850 -4.522 11.261 163 1HB LYS 19 1HB LYS 19 11.264 -2.886 13.248 164 2HB LYS 19 2HB LYS 19 9.918 -1.982 12.584 165 1HG LYS 19 1HG LYS 19 8.416 -3.876 12.802 166 2HG LYS 19 2HG LYS 19 9.739 -4.974 13.141 167 1HD LYS 19 1HD LYS 19 10.000 -4.220 15.338 168 2HD LYS 19 2HD LYS 19 9.422 -2.607 14.973 169 1HE LYS 19 1HE LYS 19 7.389 -3.201 15.785 170 2HE LYS 19 2HE LYS 19 7.212 -4.306 14.436 171 1HZ LYS 19 1HZ LYS 19 8.829 -5.207 16.655 172 2HZ LYS 19 2HZ LYS 19 7.217 -5.119 16.906 173 3HZ LYS 19 3HZ LYS 19 7.806 -6.051 15.702 174 H VAL 20 H VAL 20 10.150 -1.077 10.342 175 HA VAL 20 HA VAL 20 7.662 -1.573 9.239 176 HB VAL 20 HB VAL 20 9.755 0.496 8.540 177 1HG1 VAL 20 1HG1 VAL 20 8.099 1.767 7.449 178 2HG1 VAL 20 2HG1 VAL 20 7.864 0.109 6.845 179 3HG1 VAL 20 3HG1 VAL 20 6.777 0.764 8.094 180 1HG2 VAL 20 1HG2 VAL 20 7.356 1.094 10.220 181 2HG2 VAL 20 2HG2 VAL 20 8.690 0.180 10.965 182 3HG2 VAL 20 3HG2 VAL 20 8.994 1.790 10.268 183 H TRP 21 H TRP 21 10.955 -2.057 7.957 184 HA TRP 21 HA TRP 21 10.230 -2.339 5.262 185 1HB TRP 21 1HB TRP 21 12.493 -1.928 5.810 186 2HB TRP 21 2HB TRP 21 12.571 -3.300 6.898 187 HD1 TRP 21 HD TRP 21 14.068 -5.120 5.789 188 HE1 TRP 21 1HE TRP 21 14.453 -6.195 3.410 189 HE3 TRP 21 3HE TRP 21 10.757 -2.146 3.330 190 HZ2 TRP 21 2HZ TRP 21 13.354 -5.693 0.824 191 HZ3 TRP 21 3HZ TRP 21 10.473 -2.504 0.879 192 HH2 TRP 21 HH TRP 21 11.706 -4.204 -0.371 193 H GLU 22 H GLU 22 10.766 -4.740 7.941 194 HA GLU 22 HA GLU 22 10.083 -6.943 6.414 195 1HB GLU 22 1HB GLU 22 10.679 -6.337 9.202 196 2HB GLU 22 2HB GLU 22 9.370 -7.499 9.109 197 1HG GLU 22 1HG GLU 22 10.827 -8.806 7.420 198 2HG GLU 22 2HG GLU 22 12.145 -7.742 7.870 199 H ALA 23 H ALA 23 8.127 -4.655 8.366 200 HA ALA 23 HA ALA 23 5.756 -6.121 8.384 201 1HB ALA 23 1HB ALA 23 5.505 -3.183 8.193 202 2HB ALA 23 2HB ALA 23 4.986 -4.294 9.483 203 3HB ALA 23 3HB ALA 23 6.675 -3.735 9.415 204 H VAL 24 H VAL 24 7.506 -4.658 5.789 205 HA VAL 24 HA VAL 24 5.085 -4.776 4.125 206 HB VAL 24 HB VAL 24 6.046 -3.060 2.743 207 1HG1 VAL 24 1HG1 VAL 24 6.492 -1.372 4.904 208 2HG1 VAL 24 2HG1 VAL 24 4.918 -1.740 4.159 209 3HG1 VAL 24 3HG1 VAL 24 5.467 -2.659 5.582 210 1HG2 VAL 24 1HG2 VAL 24 8.163 -2.093 3.007 211 2HG2 VAL 24 2HG2 VAL 24 8.354 -2.724 4.660 212 3HG2 VAL 24 3HG2 VAL 24 8.460 -3.828 3.268 213 H SER 25 H SER 25 7.454 -6.696 5.047 214 HA SER 25 HA SER 25 8.219 -7.420 2.329 215 1HB SER 25 1HB SER 25 10.246 -8.274 3.155 216 2HB SER 25 2HB SER 25 9.997 -6.859 4.158 217 HG SER 25 HG SER 25 8.856 -8.485 5.668 218 H THR 26 H THR 26 6.882 -8.534 5.466 219 HA THR 26 HA THR 26 6.495 -11.223 4.422 220 HB THR 26 HB THR 26 6.023 -11.764 6.712 221 HG1 THR 26 1HG THR 26 5.734 -8.859 7.016 222 1HG2 THR 26 1HG2 THR 26 7.658 -9.335 7.379 223 2HG2 THR 26 2HG2 THR 26 7.925 -11.035 7.834 224 3HG2 THR 26 3HG2 THR 26 8.379 -10.466 6.209 225 H SER 27 H SER 27 4.152 -12.104 5.324 226 HA SER 27 HA SER 27 2.333 -10.503 3.741 227 1HB SER 27 1HB SER 27 2.327 -13.390 4.684 228 2HB SER 27 2HB SER 27 0.873 -12.652 4.042 229 HG SER 27 HG SER 27 3.316 -12.438 2.555 230 H GLU 28 H GLU 28 2.644 -12.131 6.961 231 HA GLU 28 HA GLU 28 0.174 -11.385 7.926 232 1HB GLU 28 1HB GLU 28 2.544 -12.662 8.906 233 2HB GLU 28 2HB GLU 28 2.131 -11.410 10.061 234 1HG GLU 28 1HG GLU 28 0.046 -13.358 8.991 235 2HG GLU 28 2HG GLU 28 1.031 -13.737 10.390 236 H GLY 29 H GLY 29 3.334 -9.670 7.881 237 1HA GLY 29 1HA GLY 29 2.521 -7.517 9.551 238 2HA GLY 29 2HA GLY 29 3.916 -7.579 8.493 239 H LEU 30 H LEU 30 2.333 -8.231 6.041 240 HA LEU 30 HA LEU 30 1.658 -5.531 5.373 241 1HB LEU 30 1HB LEU 30 2.250 -8.035 4.003 242 2HB LEU 30 2HB LEU 30 0.921 -7.167 3.259 243 HG LEU 30 HG LEU 30 3.214 -5.442 3.889 244 1HD1 LEU 30 1HD1 LEU 30 4.408 -6.421 1.761 245 2HD1 LEU 30 2HD1 LEU 30 4.717 -7.098 3.378 246 3HD1 LEU 30 3HD1 LEU 30 3.603 -7.927 2.264 247 1HD2 LEU 30 1HD2 LEU 30 2.175 -4.257 2.333 248 2HD2 LEU 30 2HD2 LEU 30 2.580 -5.497 1.122 249 3HD2 LEU 30 3HD2 LEU 30 1.051 -5.603 2.027 250 H ALA 31 H ALA 31 -0.135 -8.693 5.423 251 HA ALA 31 HA ALA 31 -2.621 -7.632 4.847 252 1HB ALA 31 1HB ALA 31 -2.075 -9.990 6.682 253 2HB ALA 31 2HB ALA 31 -3.466 -9.741 5.600 254 3HB ALA 31 3HB ALA 31 -1.855 -10.065 4.918 255 H PHE 32 H PHE 32 -0.624 -7.280 7.672 256 HA PHE 32 HA PHE 32 -2.583 -7.022 9.632 257 1HB PHE 32 1HB PHE 32 0.194 -6.895 9.370 258 2HB PHE 32 2HB PHE 32 -0.182 -5.207 9.651 259 HD1 PHE 32 1HD PHE 32 -2.384 -5.341 11.574 260 HD2 PHE 32 2HD PHE 32 1.145 -7.684 11.327 261 HE1 PHE 32 1HE PHE 32 -2.501 -5.777 14.043 262 HE2 PHE 32 2HE PHE 32 1.028 -8.121 13.796 263 HZ PHE 32 HZ PHE 32 -0.794 -7.162 15.125 264 H TRP 33 H TRP 33 -1.632 -4.913 6.977 265 HA TRP 33 HA TRP 33 -3.529 -2.924 7.999 266 1HB TRP 33 1HB TRP 33 -2.064 -1.138 7.118 267 2HB TRP 33 2HB TRP 33 -1.413 -1.980 8.510 268 HD1 TRP 33 HD TRP 33 0.679 -3.757 7.954 269 HE1 TRP 33 1HE TRP 33 2.568 -3.759 6.112 270 HE3 TRP 33 3HE TRP 33 -1.652 -0.510 4.812 271 HZ2 TRP 33 2HZ TRP 33 2.869 -2.432 3.604 272 HZ3 TRP 33 3HZ TRP 33 -0.492 0.085 2.687 273 HH2 TRP 33 HH TRP 33 1.691 -0.819 2.063 274 H PHE 34 H PHE 34 -1.557 -4.170 5.217 275 HA PHE 34 HA PHE 34 -3.214 -3.010 3.259 276 1HB PHE 34 1HB PHE 34 -0.911 -3.688 2.772 277 2HB PHE 34 2HB PHE 34 -1.176 -5.293 3.424 278 HD1 PHE 34 1HD PHE 34 -1.092 -6.922 1.811 279 HD2 PHE 34 2HD PHE 34 -2.868 -3.197 0.826 280 HE1 PHE 34 1HE PHE 34 -1.602 -7.775 -0.494 281 HE2 PHE 34 2HE PHE 34 -3.379 -4.049 -1.479 282 HZ PHE 34 HZ PHE 34 -2.739 -6.328 -2.112 283 H MET 35 H MET 35 -2.647 -6.538 3.237 284 HA MET 35 HA MET 35 -5.224 -7.256 4.012 285 1HB MET 35 1HB MET 35 -4.801 -6.481 1.173 286 2HB MET 35 2HB MET 35 -5.454 -8.099 1.331 287 1HG MET 35 1HG MET 35 -7.510 -7.275 1.838 288 2HG MET 35 2HG MET 35 -6.856 -6.358 3.181 289 1HE MET 35 1HE MET 35 -7.593 -5.250 -1.097 290 2HE MET 35 2HE MET 35 -5.832 -5.400 -0.879 291 3HE MET 35 3HE MET 35 -6.900 -6.761 -0.460 292 H GLU 36 H GLU 36 -5.663 -9.657 3.470 293 HA GLU 36 HA GLU 36 -3.423 -11.109 4.141 294 1HB GLU 36 1HB GLU 36 -6.146 -11.863 3.040 295 2HB GLU 36 2HB GLU 36 -4.938 -13.097 3.337 296 1HG GLU 36 1HG GLU 36 -4.944 -11.434 5.660 297 2HG GLU 36 2HG GLU 36 -6.629 -11.694 5.252 298 H ASN 37 H ASN 37 -1.831 -12.178 2.980 299 HA ASN 37 HA ASN 37 -2.240 -12.677 0.205 300 1HB ASN 37 1HB ASN 37 -0.249 -11.379 -0.553 301 2HB ASN 37 2HB ASN 37 -1.457 -10.313 0.137 302 1HD2 ASN 37 1HD2 ASN 37 -1.239 -10.257 2.686 303 2HD2 ASN 37 2HD2 ASN 37 0.341 -9.852 3.269 304 H ASP 38 H ASP 38 0.293 -13.370 -0.614 305 HA ASP 38 HA ASP 38 1.352 -14.960 1.586 306 1HB ASP 38 1HB ASP 38 0.860 -15.761 -1.315 307 2HB ASP 38 2HB ASP 38 1.928 -16.673 -0.267 308 H LEU 39 H LEU 39 2.196 -12.310 0.609 309 HA LEU 39 HA LEU 39 4.354 -12.638 -1.213 310 1HB LEU 39 1HB LEU 39 3.066 -10.576 -1.021 311 2HB LEU 39 2HB LEU 39 3.602 -10.368 0.634 312 HG LEU 39 HG LEU 39 5.891 -10.648 -1.112 313 1HD1 LEU 39 1HD1 LEU 39 5.429 -8.293 -2.172 314 2HD1 LEU 39 2HD1 LEU 39 4.846 -9.777 -2.964 315 3HD1 LEU 39 3HD1 LEU 39 3.725 -8.780 -2.005 316 1HD2 LEU 39 1HD2 LEU 39 5.697 -9.628 1.214 317 2HD2 LEU 39 2HD2 LEU 39 6.667 -8.735 0.019 318 3HD2 LEU 39 3HD2 LEU 39 5.018 -8.191 0.411 319 H LYS 40 H LYS 40 6.635 -12.458 -0.757 320 HA LYS 40 HA LYS 40 7.380 -12.800 2.033 321 1HB LYS 40 1HB LYS 40 7.092 -15.016 0.331 322 2HB LYS 40 2HB LYS 40 8.816 -14.710 0.380 323 1HG LYS 40 1HG LYS 40 8.575 -14.538 2.951 324 2HG LYS 40 2HG LYS 40 6.955 -15.174 2.749 325 1HD LYS 40 1HD LYS 40 7.899 -17.242 2.848 326 2HD LYS 40 2HD LYS 40 8.472 -16.944 1.219 327 1HE LYS 40 1HE LYS 40 10.629 -16.237 1.972 328 2HE LYS 40 2HE LYS 40 10.069 -15.956 3.609 329 1HZ LYS 40 1HZ LYS 40 11.062 -17.965 3.811 330 2HZ LYS 40 2HZ LYS 40 9.548 -18.476 3.478 331 3HZ LYS 40 3HZ LYS 40 10.685 -18.472 2.306 332 H ALA 41 H ALA 41 7.548 -10.595 0.105 333 HA ALA 41 HA ALA 41 9.020 -9.237 -0.880 334 1HB ALA 41 1HB ALA 41 10.090 -8.303 0.860 335 2HB ALA 41 2HB ALA 41 9.706 -9.748 1.826 336 3HB ALA 41 3HB ALA 41 11.240 -9.660 0.928 337 H GLU 42 H GLU 42 9.056 -11.045 -2.639 338 HA GLU 42 HA GLU 42 11.845 -11.522 -3.154 339 1HB GLU 42 1HB GLU 42 10.322 -13.595 -2.082 340 2HB GLU 42 2HB GLU 42 10.220 -13.906 -3.803 341 1HG GLU 42 1HG GLU 42 12.502 -14.315 -4.016 342 2HG GLU 42 2HG GLU 42 12.936 -13.199 -2.737 343 H THR 43 H THR 43 12.307 -11.124 -5.297 344 HA THR 43 HA THR 43 10.178 -10.255 -6.982 345 HB THR 43 HB THR 43 12.750 -9.540 -6.736 346 HG1 THR 43 1HG THR 43 12.359 -8.633 -8.845 347 1HG2 THR 43 1HG2 THR 43 14.016 -10.438 -8.724 348 2HG2 THR 43 2HG2 THR 43 13.748 -11.685 -7.482 349 3HG2 THR 43 3HG2 THR 43 12.741 -11.659 -8.950 350 H GLY 44 H GLY 44 9.465 -11.116 -8.979 351 1HA GLY 44 1HA GLY 44 8.846 -12.756 -10.387 352 2HA GLY 44 2HA GLY 44 10.348 -13.578 -10.014 353 H HIS 45 H HIS 45 8.286 -12.762 -7.288 354 HA HIS 45 HA HIS 45 7.858 -15.576 -6.841 355 1HB HIS 45 1HB HIS 45 8.655 -14.180 -5.015 356 2HB HIS 45 2HB HIS 45 7.264 -13.125 -5.163 357 HD1 HIS 45 1HD HIS 45 7.270 -16.955 -5.072 358 HD2 HIS 45 2HD HIS 45 5.891 -13.673 -2.853 359 HE1 HIS 45 1HE HIS 45 5.849 -17.916 -3.183 360 H HIS 46 H HIS 46 5.732 -16.509 -6.413 361 HA HIS 46 HA HIS 46 3.618 -14.989 -7.761 362 1HB HIS 46 1HB HIS 46 2.699 -17.316 -8.306 363 2HB HIS 46 2HB HIS 46 4.074 -16.736 -9.224 364 HD1 HIS 46 1HD HIS 46 6.231 -18.094 -9.124 365 HD2 HIS 46 2HD HIS 46 3.360 -19.351 -6.336 366 HE1 HIS 46 1HE HIS 46 7.103 -20.279 -8.135 367 H PHE 47 H PHE 47 2.325 -14.167 -6.180 368 HA PHE 47 HA PHE 47 1.424 -16.075 -4.149 369 1HB PHE 47 1HB PHE 47 1.695 -14.309 -2.470 370 2HB PHE 47 2HB PHE 47 3.203 -14.374 -3.360 371 HD1 PHE 47 1HD PHE 47 3.422 -12.717 -5.362 372 HD2 PHE 47 2HD PHE 47 0.594 -12.279 -2.229 373 HE1 PHE 47 1HE PHE 47 3.214 -10.272 -5.892 374 HE2 PHE 47 2HE PHE 47 0.385 -9.834 -2.759 375 HZ PHE 47 HZ PHE 47 1.698 -8.860 -4.584 376 H HIS 48 H HIS 48 -0.767 -15.910 -3.565 377 HA HIS 48 HA HIS 48 -2.313 -14.247 -5.375 378 1HB HIS 48 1HB HIS 48 -3.032 -16.590 -3.599 379 2HB HIS 48 2HB HIS 48 -4.225 -15.651 -4.474 380 HD1 HIS 48 1HD HIS 48 -0.937 -17.423 -5.402 381 HD2 HIS 48 2HD HIS 48 -4.827 -16.821 -6.853 382 HE1 HIS 48 1HE HIS 48 -1.095 -18.728 -7.589 383 H LEU 49 H LEU 49 -4.498 -13.422 -4.271 384 HA LEU 49 HA LEU 49 -3.837 -12.343 -1.631 385 1HB LEU 49 1HB LEU 49 -3.241 -10.677 -3.324 386 2HB LEU 49 2HB LEU 49 -4.862 -10.750 -3.985 387 HG LEU 49 HG LEU 49 -5.359 -10.163 -1.341 388 1HD1 LEU 49 1HD1 LEU 49 -2.601 -9.429 -1.895 389 2HD1 LEU 49 2HD1 LEU 49 -3.590 -8.016 -1.450 390 3HD1 LEU 49 3HD1 LEU 49 -3.505 -9.422 -0.361 391 1HD2 LEU 49 1HD2 LEU 49 -6.463 -9.142 -3.241 392 2HD2 LEU 49 2HD2 LEU 49 -5.839 -7.882 -2.149 393 3HD2 LEU 49 3HD2 LEU 49 -4.980 -8.253 -3.664 394 H GLN 50 H GLN 50 -5.593 -12.150 -0.221 395 HA GLN 50 HA GLN 50 -8.055 -13.271 -1.312 396 1HB GLN 50 1HB GLN 50 -6.876 -13.432 1.493 397 2HB GLN 50 2HB GLN 50 -8.504 -13.953 1.106 398 1HG GLN 50 1HG GLN 50 -6.679 -15.103 -0.833 399 2HG GLN 50 2HG GLN 50 -6.055 -15.416 0.775 400 1HE2 GLN 50 1HE2 GLN 50 -8.603 -15.968 -1.501 401 2HE2 GLN 50 2HE2 GLN 50 -9.456 -17.209 -0.645 402 H SER 51 H SER 51 -8.708 -11.086 -2.007 403 HA SER 51 HA SER 51 -9.112 -9.205 0.135 404 1HB SER 51 1HB SER 51 -9.080 -7.605 -1.489 405 2HB SER 51 2HB SER 51 -8.401 -8.874 -2.489 406 HG SER 51 HG SER 51 -10.310 -7.691 -3.387 407 HA PRO 52 HA PRO 52 -13.423 -9.814 0.376 408 1HB PRO 52 1HB PRO 52 -14.557 -7.328 0.358 409 2HB PRO 52 2HB PRO 52 -13.771 -8.012 1.767 410 1HG PRO 52 1HG PRO 52 -12.783 -5.920 -0.073 411 2HG PRO 52 2HG PRO 52 -12.230 -6.311 1.543 412 1HD PRO 52 1HD PRO 52 -10.939 -6.995 -0.926 413 2HD PRO 52 2HD PRO 52 -10.449 -7.485 0.684 414 H PHE 53 H PHE 53 -12.530 -7.793 -2.309 415 HA PHE 53 HA PHE 53 -14.984 -8.061 -3.656 416 1HB PHE 53 1HB PHE 53 -12.632 -6.617 -3.887 417 2HB PHE 53 2HB PHE 53 -12.354 -7.825 -5.126 418 HD1 PHE 53 1HD PHE 53 -14.409 -8.170 -6.783 419 HD2 PHE 53 2HD PHE 53 -13.700 -4.666 -4.497 420 HE1 PHE 53 1HE PHE 53 -15.798 -6.838 -8.394 421 HE2 PHE 53 2HE PHE 53 -15.089 -3.334 -6.108 422 HZ PHE 53 HZ PHE 53 -16.122 -4.436 -8.037 423 H GLY 54 H GLY 54 -12.093 -10.107 -3.366 424 1HA GLY 54 1HA GLY 54 -13.032 -12.486 -3.976 425 2HA GLY 54 2HA GLY 54 -12.953 -11.803 -5.588 426 HA PRO 55 HA PRO 55 -8.787 -13.335 -4.226 427 1HB PRO 55 1HB PRO 55 -8.694 -15.802 -5.399 428 2HB PRO 55 2HB PRO 55 -9.092 -15.558 -3.710 429 1HG PRO 55 1HG PRO 55 -10.889 -16.225 -5.960 430 2HG PRO 55 2HG PRO 55 -11.176 -16.393 -4.239 431 1HD PRO 55 1HD PRO 55 -12.218 -14.350 -5.961 432 2HD PRO 55 2HD PRO 55 -12.409 -14.453 -4.222 433 H SER 56 H SER 56 -7.122 -12.489 -5.307 434 HA SER 56 HA SER 56 -7.313 -12.820 -8.190 435 1HB SER 56 1HB SER 56 -7.437 -10.324 -6.673 436 2HB SER 56 2HB SER 56 -6.055 -10.318 -7.751 437 HG SER 56 HG SER 56 -8.807 -10.842 -8.495 438 HA PRO 57 HA PRO 57 -3.141 -13.956 -7.629 439 1HB PRO 57 1HB PRO 57 -2.300 -13.984 -10.229 440 2HB PRO 57 2HB PRO 57 -3.185 -15.305 -9.494 441 1HG PRO 57 1HG PRO 57 -4.146 -13.269 -11.410 442 2HG PRO 57 2HG PRO 57 -4.863 -14.815 -10.999 443 1HD PRO 57 1HD PRO 57 -5.728 -12.230 -10.107 444 2HD PRO 57 2HD PRO 57 -6.371 -13.781 -9.605 445 H CYS 58 H CYS 58 -1.260 -13.047 -7.005 446 HA CYS 58 HA CYS 58 -0.834 -10.392 -8.172 447 1HB CYS 58 1HB CYS 58 -0.340 -11.237 -5.297 448 2HB CYS 58 2HB CYS 58 0.115 -9.691 -5.987 449 HG CYS 58 HG CYS 58 -2.748 -10.085 -6.989 450 H GLN 59 H GLN 59 1.522 -9.763 -8.218 451 HA GLN 59 HA GLN 59 3.367 -11.918 -7.813 452 1HB GLN 59 1HB GLN 59 2.555 -12.359 -10.109 453 2HB GLN 59 2HB GLN 59 2.931 -10.714 -10.582 454 1HG GLN 59 1HG GLN 59 5.115 -11.229 -10.937 455 2HG GLN 59 2HG GLN 59 5.271 -11.943 -9.344 456 1HE2 GLN 59 1HE2 GLN 59 5.394 -12.510 -12.588 457 2HE2 GLN 59 2HE2 GLN 59 5.182 -14.229 -12.636 458 H VAL 60 H VAL 60 5.519 -11.167 -7.498 459 HA VAL 60 HA VAL 60 5.672 -8.297 -7.103 460 HB VAL 60 HB VAL 60 7.632 -10.495 -6.414 461 1HG1 VAL 60 1HG1 VAL 60 7.585 -7.556 -6.025 462 2HG1 VAL 60 2HG1 VAL 60 8.046 -8.517 -4.599 463 3HG1 VAL 60 3HG1 VAL 60 8.959 -8.684 -6.118 464 1HG2 VAL 60 1HG2 VAL 60 6.568 -9.805 -4.034 465 2HG2 VAL 60 2HG2 VAL 60 5.149 -9.549 -5.078 466 3HG2 VAL 60 3HG2 VAL 60 5.946 -11.140 -5.033 467 H THR 61 H THR 61 6.906 -6.905 -8.321 468 HA THR 61 HA THR 61 8.208 -8.112 -10.659 469 HB THR 61 HB THR 61 7.684 -6.060 -11.768 470 HG1 THR 61 1HG THR 61 7.597 -4.166 -10.536 471 1HG2 THR 61 1HG2 THR 61 5.583 -7.376 -10.599 472 2HG2 THR 61 2HG2 THR 61 5.432 -5.789 -9.806 473 3HG2 THR 61 3HG2 THR 61 5.374 -5.906 -11.581 474 H ASP 62 H ASP 62 8.754 -6.160 -7.745 475 HA ASP 62 HA ASP 62 11.543 -6.615 -8.084 476 1HB ASP 62 1HB ASP 62 10.418 -4.129 -8.961 477 2HB ASP 62 2HB ASP 62 11.245 -3.790 -7.453 478 H VAL 63 H VAL 63 12.492 -6.733 -5.994 479 HA VAL 63 HA VAL 63 11.390 -5.298 -3.794 480 HB VAL 63 HB VAL 63 9.703 -6.966 -3.840 481 1HG1 VAL 63 1HG1 VAL 63 10.946 -8.576 -5.299 482 2HG1 VAL 63 2HG1 VAL 63 11.859 -9.103 -3.864 483 3HG1 VAL 63 3HG1 VAL 63 10.097 -9.343 -3.936 484 1HG2 VAL 63 1HG2 VAL 63 9.781 -7.552 -1.643 485 2HG2 VAL 63 2HG2 VAL 63 11.422 -8.230 -1.765 486 3HG2 VAL 63 3HG2 VAL 63 11.193 -6.469 -1.652 487 H GLU 64 H GLU 64 13.322 -4.565 -3.048 488 HA GLU 64 HA GLU 64 15.171 -6.536 -2.133 489 1HB GLU 64 1HB GLU 64 15.898 -6.232 -4.490 490 2HB GLU 64 2HB GLU 64 16.036 -4.503 -4.237 491 1HG GLU 64 1HG GLU 64 18.106 -4.735 -3.340 492 2HG GLU 64 2HG GLU 64 17.516 -5.877 -2.149 493 H ARG 65 H ARG 65 15.253 -5.833 -0.031 494 HA ARG 65 HA ARG 65 15.525 -4.555 1.689 495 1HB ARG 65 1HB ARG 65 17.334 -3.330 -0.343 496 2HB ARG 65 2HB ARG 65 16.940 -2.269 0.995 497 1HG ARG 65 1HG ARG 65 17.465 -4.588 2.368 498 2HG ARG 65 2HG ARG 65 18.520 -4.809 0.987 499 1HD ARG 65 1HD ARG 65 18.620 -2.070 2.148 500 2HD ARG 65 2HD ARG 65 19.155 -3.326 3.247 501 HE ARG 65 HE ARG 65 20.531 -2.429 0.845 502 1HH1 ARG 65 2HH2 ARG 65 20.034 -5.208 2.945 503 2HH1 ARG 65 1HH2 ARG 65 21.537 -5.958 2.522 504 1HH2 ARG 65 2HH1 ARG 65 22.514 -3.417 0.287 505 2HH2 ARG 65 1HH1 ARG 65 22.958 -4.931 1.000 506 HA PRO 66 HA PRO 66 12.625 -1.295 1.655 507 1HB PRO 66 1HB PRO 66 13.374 0.325 3.724 508 2HB PRO 66 2HB PRO 66 12.519 -1.187 3.953 509 1HG PRO 66 1HG PRO 66 15.372 -0.580 4.433 510 2HG PRO 66 2HG PRO 66 14.417 -1.919 5.040 511 1HD PRO 66 1HD PRO 66 16.332 -2.005 2.906 512 2HD PRO 66 2HD PRO 66 15.294 -3.313 3.436 513 H ILE 67 H ILE 67 13.664 -0.811 -0.544 514 HA ILE 67 HA ILE 67 14.249 2.046 -0.424 515 HB ILE 67 HB ILE 67 15.992 1.633 -2.225 516 1HG1 ILE 67 1HG1 ILE 67 17.082 -0.765 -1.564 517 2HG1 ILE 67 2HG1 ILE 67 15.380 -1.157 -1.423 518 1HG2 ILE 67 1HG2 ILE 67 17.378 2.183 -0.586 519 2HG2 ILE 67 2HG2 ILE 67 16.140 1.707 0.601 520 3HG2 ILE 67 3HG2 ILE 67 17.343 0.519 0.045 521 1HD1 ILE 67 1HD1 ILE 67 16.814 -1.128 -3.794 522 2HD1 ILE 67 2HD1 ILE 67 15.040 -1.035 -3.675 523 3HD1 ILE 67 3HD1 ILE 67 16.001 0.455 -3.827 524 H LYS 68 H LYS 68 13.504 -0.868 -2.432 525 HA LYS 68 HA LYS 68 11.501 0.727 -3.798 526 1HB LYS 68 1HB LYS 68 13.448 1.060 -5.202 527 2HB LYS 68 2HB LYS 68 13.779 -0.660 -5.238 528 1HG LYS 68 1HG LYS 68 12.137 -1.085 -6.792 529 2HG LYS 68 2HG LYS 68 11.013 0.049 -6.071 530 1HD LYS 68 1HD LYS 68 11.592 1.691 -7.534 531 2HD LYS 68 2HD LYS 68 13.300 1.477 -7.206 532 1HE LYS 68 1HE LYS 68 12.488 -0.814 -8.716 533 2HE LYS 68 2HE LYS 68 11.760 0.571 -9.504 534 1HZ LYS 68 1HZ LYS 68 14.600 0.414 -8.767 535 2HZ LYS 68 2HZ LYS 68 14.015 0.090 -10.258 536 3HZ LYS 68 3HZ LYS 68 13.887 1.596 -9.640 537 H LEU 69 H LEU 69 9.658 -0.399 -3.520 538 HA LEU 69 HA LEU 69 9.809 -3.294 -3.905 539 1HB LEU 69 1HB LEU 69 9.894 -2.867 -1.502 540 2HB LEU 69 2HB LEU 69 8.435 -1.901 -1.603 541 HG LEU 69 HG LEU 69 7.364 -4.086 -2.578 542 1HD1 LEU 69 1HD1 LEU 69 8.321 -6.145 -1.945 543 2HD1 LEU 69 2HD1 LEU 69 9.640 -5.214 -2.695 544 3HD1 LEU 69 3HD1 LEU 69 9.547 -5.358 -0.923 545 1HD2 LEU 69 1HD2 LEU 69 6.284 -4.098 -0.635 546 2HD2 LEU 69 2HD2 LEU 69 7.739 -4.617 0.251 547 3HD2 LEU 69 3HD2 LEU 69 7.456 -2.887 -0.061 548 H SER 70 H SER 70 8.269 -4.044 -5.283 549 HA SER 70 HA SER 70 5.905 -2.403 -5.613 550 1HB SER 70 1HB SER 70 7.759 -1.903 -7.384 551 2HB SER 70 2HB SER 70 7.377 -3.482 -8.041 552 HG SER 70 HG SER 70 5.777 -1.116 -7.959 553 H PHE 71 H PHE 71 4.052 -3.618 -6.444 554 HA PHE 71 HA PHE 71 4.409 -6.409 -7.005 555 1HB PHE 71 1HB PHE 71 3.151 -7.170 -5.051 556 2HB PHE 71 2HB PHE 71 4.389 -6.094 -4.434 557 HD1 PHE 71 1HD PHE 71 3.790 -3.823 -3.669 558 HD2 PHE 71 2HD PHE 71 0.825 -6.597 -4.903 559 HE1 PHE 71 1HE PHE 71 2.025 -2.436 -2.546 560 HE2 PHE 71 2HE PHE 71 -0.940 -5.210 -3.780 561 HZ PHE 71 HZ PHE 71 -0.319 -3.146 -2.615 562 H THR 72 H THR 72 2.800 -7.122 -8.369 563 HA THR 72 HA THR 72 0.750 -5.180 -9.047 564 HB THR 72 HB THR 72 0.560 -6.488 -11.061 565 HG1 THR 72 1HG THR 72 2.139 -8.482 -9.605 566 1HG2 THR 72 1HG2 THR 72 3.336 -7.390 -10.758 567 2HG2 THR 72 2HG2 THR 72 2.681 -6.144 -11.848 568 3HG2 THR 72 3HG2 THR 72 3.148 -5.715 -10.185 569 H TRP 73 H TRP 73 -1.487 -5.534 -8.987 570 HA TRP 73 HA TRP 73 -2.330 -7.922 -7.522 571 1HB TRP 73 1HB TRP 73 -2.157 -6.365 -5.768 572 2HB TRP 73 2HB TRP 73 -2.825 -5.061 -6.731 573 HD1 TRP 73 HD TRP 73 -4.652 -8.449 -6.683 574 HE1 TRP 73 1HE TRP 73 -6.986 -8.264 -5.465 575 HE3 TRP 73 3HE TRP 73 -3.971 -3.712 -4.964 576 HZ2 TRP 73 2HZ TRP 73 -8.257 -6.203 -3.954 577 HZ3 TRP 73 3HZ TRP 73 -5.807 -2.687 -3.625 578 HH2 TRP 73 HH TRP 73 -7.893 -3.853 -3.113 579 H ASP 74 H ASP 74 -4.090 -8.849 -8.514 580 HA ASP 74 HA ASP 74 -5.801 -9.130 -9.819 581 1HB ASP 74 1HB ASP 74 -6.275 -6.603 -8.765 582 2HB ASP 74 2HB ASP 74 -6.337 -6.279 -10.487 583 H THR 75 H THR 75 -6.643 -8.499 -12.215 584 HA THR 75 HA THR 75 -4.323 -7.617 -13.801 585 HB THR 75 HB THR 75 -4.959 -9.420 -15.422 586 HG1 THR 75 1HG THR 75 -6.755 -10.732 -14.814 587 1HG2 THR 75 1HG2 THR 75 -3.850 -9.873 -12.809 588 2HG2 THR 75 2HG2 THR 75 -4.997 -11.197 -13.125 589 3HG2 THR 75 3HG2 THR 75 -3.658 -10.891 -14.256 590 H ASP 76 H ASP 76 -5.688 -5.546 -13.285 591 HA ASP 76 HA ASP 76 -7.622 -5.354 -15.459 592 1HB ASP 76 1HB ASP 76 -8.057 -4.920 -12.708 593 2HB ASP 76 2HB ASP 76 -7.859 -3.303 -13.353 594 H GLY 77 H GLY 77 -5.174 -3.716 -13.350 595 1HA GLY 77 1HA GLY 77 -3.468 -2.570 -14.873 596 2HA GLY 77 2HA GLY 77 -4.841 -1.609 -15.385 597 H TRP 78 H TRP 78 -3.608 -2.855 -12.190 598 HA TRP 78 HA TRP 78 -3.453 -0.086 -11.280 599 1HB TRP 78 1HB TRP 78 -5.243 -2.208 -10.168 600 2HB TRP 78 2HB TRP 78 -4.491 -1.070 -9.068 601 HD1 TRP 78 HD TRP 78 -4.818 1.351 -11.486 602 HE1 TRP 78 1HE TRP 78 -7.131 2.609 -11.671 603 HE3 TRP 78 3HE TRP 78 -7.525 -2.164 -9.001 604 HZ2 TRP 78 2HZ TRP 78 -9.773 2.006 -10.777 605 HZ3 TRP 78 3HZ TRP 78 -9.965 -1.752 -8.700 606 HH2 TRP 78 HH TRP 78 -11.092 0.247 -9.541 607 H SER 79 H SER 79 -1.295 0.054 -10.802 608 HA SER 79 HA SER 79 -0.189 -2.196 -9.313 609 1HB SER 79 1HB SER 79 1.891 -0.730 -10.688 610 2HB SER 79 2HB SER 79 1.474 -2.427 -10.824 611 HG SER 79 HG SER 79 0.866 -0.299 -12.527 612 H VAL 80 H VAL 80 0.836 -1.650 -7.385 613 HA VAL 80 HA VAL 80 1.180 1.230 -6.905 614 HB VAL 80 HB VAL 80 -0.621 0.431 -5.586 615 1HG1 VAL 80 1HG1 VAL 80 -0.314 -1.953 -5.730 616 2HG1 VAL 80 2HG1 VAL 80 1.199 -1.866 -4.797 617 3HG1 VAL 80 3HG1 VAL 80 -0.355 -1.499 -4.009 618 1HG2 VAL 80 1HG2 VAL 80 1.955 1.058 -4.274 619 2HG2 VAL 80 2HG2 VAL 80 0.358 1.825 -4.103 620 3HG2 VAL 80 3HG2 VAL 80 0.725 0.326 -3.216 621 H THR 81 H THR 81 3.133 1.931 -6.020 622 HA THR 81 HA THR 81 5.139 -0.182 -5.586 623 HB THR 81 HB THR 81 5.632 2.544 -6.881 624 HG1 THR 81 1HG THR 81 5.291 1.388 -8.835 625 1HG2 THR 81 1HG2 THR 81 7.260 0.198 -7.642 626 2HG2 THR 81 2HG2 THR 81 7.794 1.821 -7.143 627 3HG2 THR 81 3HG2 THR 81 7.412 0.592 -5.913 628 H PHE 82 H PHE 82 6.443 -0.007 -3.813 629 HA PHE 82 HA PHE 82 5.757 2.225 -2.045 630 1HB PHE 82 1HB PHE 82 6.921 -0.595 -1.653 631 2HB PHE 82 2HB PHE 82 6.775 0.551 -0.335 632 HD1 PHE 82 1HD PHE 82 5.457 -2.284 -0.927 633 HD2 PHE 82 2HD PHE 82 4.090 1.730 -1.077 634 HE1 PHE 82 1HE PHE 82 3.110 -3.068 -0.505 635 HE2 PHE 82 2HE PHE 82 1.743 0.947 -0.655 636 HZ PHE 82 HZ PHE 82 1.281 -1.443 -0.375 637 H HIS 83 H HIS 83 7.477 3.227 -0.766 638 HA HIS 83 HA HIS 83 10.171 2.679 -1.675 639 1HB HIS 83 1HB HIS 83 8.834 5.380 -1.981 640 2HB HIS 83 2HB HIS 83 10.565 5.129 -2.072 641 HD1 HIS 83 1HD HIS 83 10.829 2.686 -3.858 642 HD2 HIS 83 2HD HIS 83 8.036 5.734 -4.564 643 HE1 HIS 83 1HE HIS 83 10.248 2.562 -6.340 644 H LEU 84 H LEU 84 11.256 2.325 0.192 645 HA LEU 84 HA LEU 84 10.423 3.895 2.525 646 1HB LEU 84 1HB LEU 84 11.517 1.137 2.160 647 2HB LEU 84 2HB LEU 84 11.853 1.995 3.652 648 HG LEU 84 HG LEU 84 9.151 2.362 3.448 649 1HD1 LEU 84 1HD1 LEU 84 9.464 -0.515 2.644 650 2HD1 LEU 84 2HD1 LEU 84 8.027 0.535 2.589 651 3HD1 LEU 84 3HD1 LEU 84 9.337 0.756 1.404 652 1HD2 LEU 84 1HD2 LEU 84 9.091 1.239 5.402 653 2HD2 LEU 84 2HD2 LEU 84 9.962 -0.170 4.751 654 3HD2 LEU 84 3HD2 LEU 84 10.863 1.286 5.239 655 H LYS 85 H LYS 85 12.239 4.508 4.049 656 HA LYS 85 HA LYS 85 14.889 4.522 3.247 657 1HB LYS 85 1HB LYS 85 15.065 6.982 2.608 658 2HB LYS 85 2HB LYS 85 14.456 5.882 1.388 659 1HG LYS 85 1HG LYS 85 12.584 7.145 1.218 660 2HG LYS 85 2HG LYS 85 12.168 6.719 2.866 661 1HD LYS 85 1HD LYS 85 12.246 9.074 2.958 662 2HD LYS 85 2HD LYS 85 13.825 8.622 3.568 663 1HE LYS 85 1HE LYS 85 14.903 9.131 1.473 664 2HE LYS 85 2HE LYS 85 13.379 9.181 0.608 665 1HZ LYS 85 1HZ LYS 85 14.166 11.376 1.084 666 2HZ LYS 85 2HZ LYS 85 12.783 11.119 1.913 667 3HZ LYS 85 3HZ LYS 85 14.219 11.079 2.689 668 H GLU 86 H GLU 86 15.807 4.547 5.220 669 HA GLU 86 HA GLU 86 14.417 5.474 7.444 670 1HB GLU 86 1HB GLU 86 16.474 3.779 7.117 671 2HB GLU 86 2HB GLU 86 17.416 5.204 7.505 672 1HG GLU 86 1HG GLU 86 15.067 4.749 9.286 673 2HG GLU 86 2HG GLU 86 16.303 3.510 9.378 674 H GLU 87 H GLU 87 14.457 7.422 8.577 675 HA GLU 87 HA GLU 87 15.979 9.523 7.258 676 1HB GLU 87 1HB GLU 87 13.260 9.359 8.062 677 2HB GLU 87 2HB GLU 87 14.006 10.481 9.182 678 1HG GLU 87 1HG GLU 87 14.868 10.914 6.383 679 2HG GLU 87 2HG GLU 87 13.137 11.089 6.593 680 H GLU 88 H GLU 88 15.939 11.473 9.305 681 HA GLU 88 HA GLU 88 18.174 10.954 10.674 682 1HB GLU 88 1HB GLU 88 15.834 12.777 11.142 683 2HB GLU 88 2HB GLU 88 16.994 12.622 12.447 684 1HG GLU 88 1HG GLU 88 18.636 12.900 10.198 685 2HG GLU 88 2HG GLU 88 17.288 13.953 9.820 686 H ASN 89 H ASN 89 15.017 11.054 12.466 687 HA ASN 89 HA ASN 89 15.977 8.716 13.921 688 1HB ASN 89 1HB ASN 89 16.048 10.860 15.280 689 2HB ASN 89 2HB ASN 89 14.323 11.043 15.036 690 1HD2 ASN 89 1HD2 ASN 89 16.817 8.896 16.321 691 2HD2 ASN 89 2HD2 ASN 89 15.862 8.140 17.552 692 H GLY 90 H GLY 90 14.519 8.056 11.792 693 1HA GLY 90 1HA GLY 90 12.210 6.835 12.693 694 2HA GLY 90 2HA GLY 90 11.701 8.370 12.018 695 H THR 91 H THR 91 10.670 6.334 10.671 696 HA THR 91 HA THR 91 12.458 5.937 8.362 697 HB THR 91 HB THR 91 10.172 4.191 9.420 698 HG1 THR 91 1HG THR 91 13.106 4.064 9.379 699 1HG2 THR 91 1HG2 THR 91 12.360 3.439 7.435 700 2HG2 THR 91 2HG2 THR 91 10.846 2.572 7.788 701 3HG2 THR 91 3HG2 THR 91 10.805 4.099 6.875 702 H ILE 92 H ILE 92 11.723 6.377 6.301 703 HA ILE 92 HA ILE 92 9.266 7.962 6.270 704 HB ILE 92 HB ILE 92 11.640 7.849 4.410 705 1HG1 ILE 92 1HG1 ILE 92 12.207 9.023 6.402 706 2HG1 ILE 92 2HG1 ILE 92 11.916 10.222 5.157 707 1HG2 ILE 92 1HG2 ILE 92 10.128 10.066 3.720 708 2HG2 ILE 92 2HG2 ILE 92 10.263 8.546 2.805 709 3HG2 ILE 92 3HG2 ILE 92 8.917 8.782 3.945 710 1HD1 ILE 92 1HD1 ILE 92 9.398 10.058 6.161 711 2HD1 ILE 92 2HD1 ILE 92 10.320 9.605 7.614 712 3HD1 ILE 92 3HD1 ILE 92 10.625 11.168 6.818 713 H PHE 93 H PHE 93 7.470 7.317 5.157 714 HA PHE 93 HA PHE 93 7.795 4.912 3.504 715 1HB PHE 93 1HB PHE 93 6.643 4.749 5.854 716 2HB PHE 93 2HB PHE 93 5.376 5.766 5.196 717 HD1 PHE 93 1HD PHE 93 6.725 2.426 5.369 718 HD2 PHE 93 2HD PHE 93 3.984 4.915 3.297 719 HE1 PHE 93 1HE PHE 93 5.563 0.393 4.464 720 HE2 PHE 93 2HE PHE 93 2.822 2.883 2.392 721 HZ PHE 93 HZ PHE 93 3.625 0.646 2.986 722 H THR 94 H THR 94 7.115 5.138 1.423 723 HA THR 94 HA THR 94 5.139 7.251 0.883 724 HB THR 94 HB THR 94 7.593 6.579 -0.820 725 HG1 THR 94 1HG THR 94 8.507 7.760 0.825 726 1HG2 THR 94 1HG2 THR 94 5.255 8.048 -1.426 727 2HG2 THR 94 2HG2 THR 94 6.436 9.284 -0.930 728 3HG2 THR 94 3HG2 THR 94 6.818 8.175 -2.269 729 H ILE 95 H ILE 95 3.520 6.769 -0.551 730 HA ILE 95 HA ILE 95 3.655 4.065 -1.692 731 HB ILE 95 HB ILE 95 2.161 3.884 0.095 732 1HG1 ILE 95 1HG1 ILE 95 1.388 3.113 -2.233 733 2HG1 ILE 95 2HG1 ILE 95 0.202 3.181 -0.945 734 1HG2 ILE 95 1HG2 ILE 95 1.312 6.647 -0.668 735 2HG2 ILE 95 2HG2 ILE 95 0.137 5.578 0.134 736 3HG2 ILE 95 3HG2 ILE 95 1.682 5.959 0.931 737 1HD1 ILE 95 1HD1 ILE 95 0.050 4.465 -3.458 738 2HD1 ILE 95 2HD1 ILE 95 -1.038 4.708 -2.070 739 3HD1 ILE 95 3HD1 ILE 95 0.375 5.769 -2.290 740 H VAL 96 H VAL 96 2.828 3.802 -3.803 741 HA VAL 96 HA VAL 96 1.930 6.260 -5.110 742 HB VAL 96 HB VAL 96 4.168 4.442 -6.017 743 1HG1 VAL 96 1HG1 VAL 96 4.184 6.345 -7.892 744 2HG1 VAL 96 2HG1 VAL 96 3.223 4.856 -8.059 745 3HG1 VAL 96 3HG1 VAL 96 2.444 6.363 -7.521 746 1HG2 VAL 96 1HG2 VAL 96 5.563 5.965 -5.175 747 2HG2 VAL 96 2HG2 VAL 96 4.752 7.265 -6.080 748 3HG2 VAL 96 3HG2 VAL 96 4.165 6.806 -4.463 749 H HIS 97 H HIS 97 0.217 5.938 -6.481 750 HA HIS 97 HA HIS 97 -0.323 3.176 -7.255 751 1HB HIS 97 1HB HIS 97 -1.638 4.001 -5.183 752 2HB HIS 97 2HB HIS 97 -2.528 5.004 -6.311 753 HD1 HIS 97 1HD HIS 97 -4.745 3.712 -5.996 754 HD2 HIS 97 2HD HIS 97 -1.568 1.324 -7.337 755 HE1 HIS 97 1HE HIS 97 -5.775 1.491 -6.714 756 H SER 98 H SER 98 -0.697 2.995 -9.414 757 HA SER 98 HA SER 98 -1.733 5.351 -10.754 758 1HB SER 98 1HB SER 98 0.553 3.703 -11.906 759 2HB SER 98 2HB SER 98 -0.096 5.204 -12.536 760 HG SER 98 HG SER 98 1.745 4.773 -10.461 761 H GLY 99 H GLY 99 -2.282 4.652 -13.198 762 1HA GLY 99 1HA GLY 99 -2.967 2.921 -14.640 763 2HA GLY 99 2HA GLY 99 -3.183 1.853 -13.268 764 H TRP 100 H TRP 100 -4.288 5.279 -13.622 765 HA TRP 100 HA TRP 100 -7.039 4.266 -13.374 766 1HB TRP 100 1HB TRP 100 -5.782 6.778 -12.262 767 2HB TRP 100 2HB TRP 100 -7.511 6.497 -12.318 768 HD1 TRP 100 HD TRP 100 -4.397 4.658 -10.814 769 HE1 TRP 100 1HE TRP 100 -5.018 3.537 -8.507 770 HE3 TRP 100 3HE TRP 100 -9.313 5.954 -10.909 771 HZ2 TRP 100 2HZ TRP 100 -7.441 3.323 -7.015 772 HZ3 TRP 100 3HZ TRP 100 -10.737 5.250 -8.988 773 HH2 TRP 100 HH TRP 100 -9.875 3.978 -7.087 774 H LYS 101 H LYS 101 -8.670 5.842 -14.406 775 HA LYS 101 HA LYS 101 -7.477 6.882 -16.879 776 1HB LYS 101 1HB LYS 101 -10.253 5.778 -16.356 777 2HB LYS 101 2HB LYS 101 -9.739 6.512 -17.861 778 1HG LYS 101 1HG LYS 101 -7.952 4.798 -18.112 779 2HG LYS 101 2HG LYS 101 -8.405 4.081 -16.578 780 1HD LYS 101 1HD LYS 101 -10.508 3.311 -17.416 781 2HD LYS 101 2HD LYS 101 -10.462 4.396 -18.791 782 1HE LYS 101 1HE LYS 101 -8.470 3.117 -19.686 783 2HE LYS 101 2HE LYS 101 -8.623 1.995 -18.348 784 1HZ LYS 101 1HZ LYS 101 -10.657 1.260 -19.136 785 2HZ LYS 101 2HZ LYS 101 -10.883 2.542 -20.123 786 3HZ LYS 101 3HZ LYS 101 -9.765 1.412 -20.496 787 H GLN 102 H GLN 102 -9.396 8.553 -17.818 788 HA GLN 102 HA GLN 102 -8.981 10.815 -16.313 789 1HB GLN 102 1HB GLN 102 -11.231 10.356 -18.319 790 2HB GLN 102 2HB GLN 102 -10.551 11.903 -17.855 791 1HG GLN 102 1HG GLN 102 -8.794 11.680 -19.288 792 2HG GLN 102 2HG GLN 102 -8.451 10.051 -18.740 793 1HE2 GLN 102 1HE2 GLN 102 -11.481 11.306 -20.062 794 2HE2 GLN 102 2HE2 GLN 102 -11.532 10.328 -21.492 795 H GLY 103 H GLY 103 -10.762 12.279 -15.375 796 1HA GLY 103 1HA GLY 103 -12.316 10.692 -13.496 797 2HA GLY 103 2HA GLY 103 -12.025 12.420 -13.458 798 H ASP 104 H ASP 104 -13.313 10.301 -16.110 799 HA ASP 104 HA ASP 104 -15.768 11.860 -15.925 800 1HB ASP 104 1HB ASP 104 -14.322 10.921 -18.448 801 2HB ASP 104 2HB ASP 104 -15.916 11.648 -18.444 802 H THR 105 H THR 105 -14.072 8.882 -17.118 803 HA THR 105 HA THR 105 -16.412 7.416 -17.687 804 HB THR 105 HB THR 105 -14.160 6.922 -18.628 805 HG1 THR 105 1HG THR 105 -14.303 4.581 -17.972 806 1HG2 THR 105 1HG2 THR 105 -13.319 5.562 -16.090 807 2HG2 THR 105 2HG2 THR 105 -12.317 6.328 -17.346 808 3HG2 THR 105 3HG2 THR 105 -13.129 7.332 -16.121 809 H LYS 106 H LYS 106 -17.028 5.341 -16.547 810 HA LYS 106 HA LYS 106 -17.055 5.898 -13.663 811 1HB LYS 106 1HB LYS 106 -19.250 6.106 -14.738 812 2HB LYS 106 2HB LYS 106 -19.113 4.484 -15.386 813 1HG LYS 106 1HG LYS 106 -19.249 3.473 -13.226 814 2HG LYS 106 2HG LYS 106 -18.844 4.964 -12.399 815 1HD LYS 106 1HD LYS 106 -21.139 5.700 -13.781 816 2HD LYS 106 2HD LYS 106 -21.474 4.020 -13.413 817 1HE LYS 106 1HE LYS 106 -21.611 4.396 -11.138 818 2HE LYS 106 2HE LYS 106 -20.324 5.585 -11.146 819 1HZ LYS 106 1HZ LYS 106 -21.828 7.169 -11.235 820 2HZ LYS 106 2HZ LYS 106 -22.513 6.561 -12.586 821 3HZ LYS 106 3HZ LYS 106 -23.023 6.063 -11.117 822 H VAL 107 H VAL 107 -17.084 3.956 -12.234 823 HA VAL 107 HA VAL 107 -15.376 1.889 -13.418 824 HB VAL 107 HB VAL 107 -15.798 2.645 -10.520 825 1HG1 VAL 107 1HG1 VAL 107 -14.365 0.997 -9.929 826 2HG1 VAL 107 2HG1 VAL 107 -14.870 0.274 -11.475 827 3HG1 VAL 107 3HG1 VAL 107 -13.356 1.205 -11.380 828 1HG2 VAL 107 1HG2 VAL 107 -13.162 3.213 -11.608 829 2HG2 VAL 107 2HG2 VAL 107 -14.432 4.103 -12.481 830 3HG2 VAL 107 3HG2 VAL 107 -14.279 4.273 -10.716 831 H GLU 108 H GLU 108 -17.400 0.987 -14.422 832 HA GLU 108 HA GLU 108 -19.587 0.191 -13.091 833 1HB GLU 108 1HB GLU 108 -19.795 -1.609 -14.806 834 2HB GLU 108 2HB GLU 108 -19.336 -0.070 -15.507 835 1HG GLU 108 1HG GLU 108 -17.662 -1.255 -16.515 836 2HG GLU 108 2HG GLU 108 -16.852 -1.138 -14.965 837 H LYS 109 H LYS 109 -16.345 -1.335 -13.085 838 HA LYS 109 HA LYS 109 -16.991 -3.759 -11.949 839 1HB LYS 109 1HB LYS 109 -14.729 -2.653 -12.829 840 2HB LYS 109 2HB LYS 109 -14.478 -2.366 -11.119 841 1HG LYS 109 1HG LYS 109 -13.822 -4.521 -10.884 842 2HG LYS 109 2HG LYS 109 -15.445 -5.037 -11.297 843 1HD LYS 109 1HD LYS 109 -14.584 -4.577 -13.803 844 2HD LYS 109 2HD LYS 109 -13.012 -4.820 -13.068 845 1HE LYS 109 1HE LYS 109 -15.298 -6.798 -12.676 846 2HE LYS 109 2HE LYS 109 -14.192 -6.916 -14.030 847 1HZ LYS 109 1HZ LYS 109 -12.977 -6.614 -11.437 848 2HZ LYS 109 2HZ LYS 109 -13.734 -8.036 -11.705 849 3HZ LYS 109 3HZ LYS 109 -12.529 -7.553 -12.695 850 H ALA 110 H ALA 110 -16.290 -0.582 -10.363 851 HA ALA 110 HA ALA 110 -16.875 -1.725 -7.777 852 1HB ALA 110 1HB ALA 110 -16.387 0.614 -7.019 853 2HB ALA 110 2HB ALA 110 -15.073 -0.100 -7.984 854 3HB ALA 110 3HB ALA 110 -16.178 1.084 -8.723 855 H GLY 111 H GLY 111 -18.216 0.949 -9.852 856 1HA GLY 111 1HA GLY 111 -20.603 0.880 -10.297 857 2HA GLY 111 2HA GLY 111 -20.854 0.378 -8.637 858 H ALA 112 H ALA 112 -18.490 2.860 -9.742 859 HA ALA 112 HA ALA 112 -20.215 5.026 -9.007 860 1HB ALA 112 1HB ALA 112 -19.220 3.949 -6.830 861 2HB ALA 112 2HB ALA 112 -17.713 4.747 -7.340 862 3HB ALA 112 3HB ALA 112 -19.174 5.717 -7.031 863 H GLU 113 H GLU 113 -19.122 7.145 -9.421 864 HA GLU 113 HA GLU 113 -17.777 7.074 -11.805 865 1HB GLU 113 1HB GLU 113 -17.927 9.256 -9.683 866 2HB GLU 113 2HB GLU 113 -17.256 9.517 -11.281 867 1HG GLU 113 1HG GLU 113 -19.891 8.189 -11.385 868 2HG GLU 113 2HG GLU 113 -19.963 9.736 -10.563 869 H SER 114 H SER 114 -15.550 7.579 -12.395 870 HA SER 114 HA SER 114 -13.709 6.187 -10.904 871 1HB SER 114 1HB SER 114 -13.792 7.622 -13.382 872 2HB SER 114 2HB SER 114 -12.389 8.206 -12.509 873 HG SER 114 HG SER 114 -11.393 6.319 -12.779 874 H ALA 115 H ALA 115 -14.666 9.633 -10.897 875 HA ALA 115 HA ALA 115 -12.463 10.537 -9.367 876 1HB ALA 115 1HB ALA 115 -15.249 11.682 -9.823 877 2HB ALA 115 2HB ALA 115 -13.882 12.564 -9.101 878 3HB ALA 115 3HB ALA 115 -13.796 12.020 -10.793 879 H VAL 116 H VAL 116 -15.774 9.329 -8.623 880 HA VAL 116 HA VAL 116 -15.749 9.961 -5.910 881 HB VAL 116 HB VAL 116 -17.133 7.764 -7.459 882 1HG1 VAL 116 1HG1 VAL 116 -18.230 8.804 -4.881 883 2HG1 VAL 116 2HG1 VAL 116 -18.387 7.197 -5.630 884 3HG1 VAL 116 3HG1 VAL 116 -16.876 7.651 -4.806 885 1HG2 VAL 116 1HG2 VAL 116 -17.483 10.332 -7.935 886 2HG2 VAL 116 2HG2 VAL 116 -18.877 9.228 -7.845 887 3HG2 VAL 116 3HG2 VAL 116 -18.467 10.259 -6.453 888 H VAL 117 H VAL 117 -14.815 6.916 -7.653 889 HA VAL 117 HA VAL 117 -14.034 5.555 -5.337 890 HB VAL 117 HB VAL 117 -13.241 5.263 -8.239 891 1HG1 VAL 117 1HG1 VAL 117 -13.045 2.815 -6.734 892 2HG1 VAL 117 2HG1 VAL 117 -11.799 3.654 -7.688 893 3HG1 VAL 117 3HG1 VAL 117 -12.034 4.066 -5.973 894 1HG2 VAL 117 1HG2 VAL 117 -15.694 5.006 -7.506 895 2HG2 VAL 117 2HG2 VAL 117 -14.966 3.677 -8.440 896 3HG2 VAL 117 3HG2 VAL 117 -15.157 3.525 -6.677 897 H HIS 118 H HIS 118 -12.265 7.680 -7.651 898 HA HIS 118 HA HIS 118 -9.721 7.261 -6.810 899 1HB HIS 118 1HB HIS 118 -9.748 8.667 -8.580 900 2HB HIS 118 2HB HIS 118 -11.214 9.478 -8.066 901 HD1 HIS 118 1HD HIS 118 -10.414 11.885 -8.251 902 HD2 HIS 118 2HD HIS 118 -7.889 9.495 -5.905 903 HE1 HIS 118 1HE HIS 118 -8.744 13.472 -7.155 904 H GLU 119 H GLU 119 -12.091 9.648 -5.435 905 HA GLU 119 HA GLU 119 -10.365 10.470 -3.416 906 1HB GLU 119 1HB GLU 119 -13.375 10.617 -3.790 907 2HB GLU 119 2HB GLU 119 -12.614 11.249 -2.343 908 1HG GLU 119 1HG GLU 119 -11.051 12.585 -3.917 909 2HG GLU 119 2HG GLU 119 -12.130 12.128 -5.220 910 H ARG 120 H ARG 120 -13.105 8.090 -3.443 911 HA ARG 120 HA ARG 120 -13.079 7.441 -0.823 912 1HB ARG 120 1HB ARG 120 -13.978 6.205 -3.337 913 2HB ARG 120 2HB ARG 120 -13.498 4.982 -2.177 914 1HG ARG 120 1HG ARG 120 -14.939 6.615 -0.527 915 2HG ARG 120 2HG ARG 120 -15.755 6.950 -2.041 916 1HD ARG 120 1HD ARG 120 -16.972 5.094 -1.283 917 2HD ARG 120 2HD ARG 120 -15.789 4.312 -2.312 918 HE ARG 120 HE ARG 120 -14.707 4.547 0.338 919 1HH1 ARG 120 2HH2 ARG 120 -17.150 2.759 -1.456 920 2HH1 ARG 120 1HH2 ARG 120 -17.087 1.377 -0.413 921 1HH2 ARG 120 2HH1 ARG 120 -14.623 2.724 1.713 922 2HH2 ARG 120 1HH1 ARG 120 -15.640 1.357 1.401 923 H MET 121 H MET 121 -11.316 5.678 -3.487 924 HA MET 121 HA MET 121 -9.945 3.987 -1.797 925 1HB MET 121 1HB MET 121 -9.846 4.877 -4.633 926 2HB MET 121 2HB MET 121 -8.275 4.387 -4.033 927 1HG MET 121 1HG MET 121 -10.500 2.549 -3.283 928 2HG MET 121 2HG MET 121 -10.195 2.647 -5.006 929 1HE MET 121 1HE MET 121 -9.470 0.892 -5.723 930 2HE MET 121 2HE MET 121 -7.749 0.434 -5.726 931 3HE MET 121 3HE MET 121 -8.890 -0.400 -4.643 932 H ASP 122 H ASP 122 -9.010 7.193 -3.195 933 HA ASP 122 HA ASP 122 -6.431 7.251 -2.351 934 1HB ASP 122 1HB ASP 122 -7.399 8.983 -3.787 935 2HB ASP 122 2HB ASP 122 -8.507 9.480 -2.524 936 H ARG 123 H ARG 123 -9.438 8.431 -0.663 937 HA ARG 123 HA ARG 123 -8.251 9.377 1.588 938 1HB ARG 123 1HB ARG 123 -10.970 8.172 1.001 939 2HB ARG 123 2HB ARG 123 -10.572 8.581 2.658 940 1HG ARG 123 1HG ARG 123 -9.739 10.846 1.217 941 2HG ARG 123 2HG ARG 123 -11.208 10.362 0.393 942 1HD ARG 123 1HD ARG 123 -12.326 10.224 2.713 943 2HD ARG 123 2HD ARG 123 -10.890 10.989 3.363 944 HE ARG 123 HE ARG 123 -11.952 12.463 1.090 945 1HH1 ARG 123 2HH2 ARG 123 -12.351 11.920 4.544 946 2HH1 ARG 123 1HH2 ARG 123 -13.097 13.457 4.829 947 1HH2 ARG 123 2HH1 ARG 123 -12.936 14.492 1.466 948 2HH2 ARG 123 1HH1 ARG 123 -13.432 14.930 3.066 949 H GLY 124 H GLY 124 -9.620 6.059 0.981 950 1HA GLY 124 1HA GLY 124 -8.922 4.969 3.476 951 2HA GLY 124 2HA GLY 124 -9.277 4.087 2.003 952 H TRP 125 H TRP 125 -7.108 5.473 0.433 953 HA TRP 125 HA TRP 125 -5.046 3.639 0.998 954 1HB TRP 125 1HB TRP 125 -5.671 5.662 -1.000 955 2HB TRP 125 2HB TRP 125 -3.964 5.638 -0.602 956 HD1 TRP 125 HD TRP 125 -6.277 3.999 -2.913 957 HE1 TRP 125 1HE TRP 125 -5.354 1.761 -3.964 958 HE3 TRP 125 3HE TRP 125 -2.461 3.403 0.394 959 HZ2 TRP 125 2HZ TRP 125 -3.180 0.032 -3.309 960 HZ3 TRP 125 3HZ TRP 125 -0.985 1.414 0.118 961 HH2 TRP 125 HH TRP 125 -1.295 -0.239 -1.656 962 H HIS 126 H HIS 126 -5.501 7.195 1.538 963 HA HIS 126 HA HIS 126 -2.981 7.555 2.718 964 1HB HIS 126 1HB HIS 126 -4.851 9.211 1.744 965 2HB HIS 126 2HB HIS 126 -5.268 9.329 3.442 966 HD1 HIS 126 1HD HIS 126 -4.457 11.863 3.310 967 HD2 HIS 126 2HD HIS 126 -1.460 8.981 2.751 968 HE1 HIS 126 1HE HIS 126 -2.232 13.085 3.569 969 H ASP 127 H ASP 127 -6.309 7.234 4.147 970 HA ASP 127 HA ASP 127 -5.589 7.381 6.750 971 1HB ASP 127 1HB ASP 127 -7.651 5.420 5.650 972 2HB ASP 127 2HB ASP 127 -7.657 6.165 7.236 973 H LEU 128 H LEU 128 -5.414 4.641 4.430 974 HA LEU 128 HA LEU 128 -4.895 2.623 6.309 975 1HB LEU 128 1HB LEU 128 -5.659 1.967 4.207 976 2HB LEU 128 2HB LEU 128 -4.480 2.943 3.355 977 HG LEU 128 HG LEU 128 -2.681 1.409 4.183 978 1HD1 LEU 128 1HD1 LEU 128 -3.442 0.365 6.094 979 2HD1 LEU 128 2HD1 LEU 128 -5.048 0.029 5.405 980 3HD1 LEU 128 3HD1 LEU 128 -3.637 -0.919 4.877 981 1HD2 LEU 128 1HD2 LEU 128 -4.281 1.188 2.004 982 2HD2 LEU 128 2HD2 LEU 128 -2.874 0.148 2.330 983 3HD2 LEU 128 3HD2 LEU 128 -4.511 -0.413 2.747 984 H VAL 129 H VAL 129 -2.691 4.626 4.232 985 HA VAL 129 HA VAL 129 -0.441 3.633 5.783 986 HB VAL 129 HB VAL 129 -0.435 3.744 3.288 987 1HG1 VAL 129 1HG1 VAL 129 -1.053 6.557 3.866 988 2HG1 VAL 129 2HG1 VAL 129 0.287 6.343 2.715 989 3HG1 VAL 129 3HG1 VAL 129 -1.299 5.609 2.381 990 1HG2 VAL 129 1HG2 VAL 129 1.623 5.032 5.039 991 2HG2 VAL 129 2HG2 VAL 129 1.707 3.530 4.087 992 3HG2 VAL 129 3HG2 VAL 129 1.844 5.108 3.275 993 H ASN 130 H ASN 130 -2.357 5.150 7.260 994 HA ASN 130 HA ASN 130 -0.822 7.599 7.650 995 1HB ASN 130 1HB ASN 130 -3.674 7.186 7.270 996 2HB ASN 130 2HB ASN 130 -3.421 7.795 8.894 997 1HD2 ASN 130 1HD2 ASN 130 -2.011 8.306 5.657 998 2HD2 ASN 130 2HD2 ASN 130 -2.058 10.037 5.669 999 H GLU 131 H GLU 131 -3.312 5.561 9.382 1000 HA GLU 131 HA GLU 131 -1.477 5.526 11.651 1001 1HB GLU 131 1HB GLU 131 -3.466 5.507 13.137 1002 2HB GLU 131 2HB GLU 131 -3.411 6.954 12.150 1003 1HG GLU 131 1HG GLU 131 -5.569 6.433 11.610 1004 2HG GLU 131 2HG GLU 131 -4.855 5.273 10.507 1005 H ARG 132 H ARG 132 -3.912 3.811 9.662 1006 HA ARG 132 HA ARG 132 -4.137 1.519 11.083 1007 1HB ARG 132 1HB ARG 132 -3.958 1.779 8.038 1008 2HB ARG 132 2HB ARG 132 -4.680 0.431 8.893 1009 1HG ARG 132 1HG ARG 132 -5.771 3.017 9.797 1010 2HG ARG 132 2HG ARG 132 -5.995 2.780 8.075 1011 1HD ARG 132 1HD ARG 132 -7.652 1.269 8.441 1012 2HD ARG 132 2HD ARG 132 -6.601 0.290 9.445 1013 HE ARG 132 HE ARG 132 -7.435 2.597 10.939 1014 1HH1 ARG 132 2HH2 ARG 132 -8.701 -0.434 9.676 1015 2HH1 ARG 132 1HH2 ARG 132 -9.922 -0.581 10.896 1016 1HH2 ARG 132 2HH1 ARG 132 -9.045 2.404 12.549 1017 2HH2 ARG 132 1HH1 ARG 132 -10.119 1.044 12.541 1018 H LEU 133 H LEU 133 -1.520 2.598 8.872 1019 HA LEU 133 HA LEU 133 -0.177 0.050 9.055 1020 1HB LEU 133 1HB LEU 133 0.002 1.011 6.958 1021 2HB LEU 133 2HB LEU 133 0.261 2.624 7.592 1022 HG LEU 133 HG LEU 133 2.523 1.960 8.348 1023 1HD1 LEU 133 1HD1 LEU 133 1.966 -0.651 6.913 1024 2HD1 LEU 133 2HD1 LEU 133 3.511 -0.148 7.640 1025 3HD1 LEU 133 3HD1 LEU 133 2.092 -0.437 8.675 1026 1HD2 LEU 133 1HD2 LEU 133 2.127 3.022 6.141 1027 2HD2 LEU 133 2HD2 LEU 133 3.567 1.976 6.175 1028 3HD2 LEU 133 3HD2 LEU 133 2.068 1.402 5.405 1029 H ARG 134 H ARG 134 0.249 3.447 10.219 1030 HA ARG 134 HA ARG 134 2.649 3.145 11.420 1031 1HB ARG 134 1HB ARG 134 1.290 5.277 11.217 1032 2HB ARG 134 2HB ARG 134 0.273 4.722 12.531 1033 1HG ARG 134 1HG ARG 134 2.764 4.419 13.668 1034 2HG ARG 134 2HG ARG 134 3.063 5.782 12.609 1035 1HD ARG 134 1HD ARG 134 0.613 6.471 13.738 1036 2HD ARG 134 2HD ARG 134 1.395 5.633 15.064 1037 HE ARG 134 HE ARG 134 3.250 7.471 13.837 1038 1HH1 ARG 134 2HH2 ARG 134 0.437 7.386 15.950 1039 2HH1 ARG 134 1HH2 ARG 134 0.843 8.862 16.761 1040 1HH2 ARG 134 2HH1 ARG 134 3.786 9.418 14.907 1041 2HH2 ARG 134 1HH1 ARG 134 2.760 10.025 16.164 1042 H GLN 135 H GLN 135 -0.585 2.067 12.498 1043 HA GLN 135 HA GLN 135 0.093 1.578 15.149 1044 1HB GLN 135 1HB GLN 135 -2.188 1.287 13.462 1045 2HB GLN 135 2HB GLN 135 -1.912 -0.289 14.178 1046 1HG GLN 135 1HG GLN 135 -1.615 1.946 16.108 1047 2HG GLN 135 2HG GLN 135 -3.220 1.838 15.413 1048 1HE2 GLN 135 1HE2 GLN 135 -1.391 0.904 17.920 1049 2HE2 GLN 135 2HE2 GLN 135 -2.155 -0.577 18.391 1050 H ILE 136 H ILE 136 0.556 -0.255 12.135 1051 HA ILE 136 HA ILE 136 0.975 -2.775 13.217 1052 HB ILE 136 HB ILE 136 2.216 -1.493 10.779 1053 1HG1 ILE 136 1HG1 ILE 136 -0.152 -1.300 10.602 1054 2HG1 ILE 136 2HG1 ILE 136 0.342 -2.635 9.579 1055 1HG2 ILE 136 1HG2 ILE 136 2.621 -3.703 9.958 1056 2HG2 ILE 136 2HG2 ILE 136 3.347 -3.575 11.578 1057 3HG2 ILE 136 3HG2 ILE 136 1.804 -4.436 11.360 1058 1HD1 ILE 136 1HD1 ILE 136 -0.137 -4.127 11.701 1059 2HD1 ILE 136 2HD1 ILE 136 -1.084 -2.723 12.247 1060 3HD1 ILE 136 3HD1 ILE 136 -1.504 -3.540 10.723 1061 H VAL 137 H VAL 137 2.875 0.163 13.389 1062 HA VAL 137 HA VAL 137 5.119 -1.409 14.451 1063 HB VAL 137 HB VAL 137 6.481 0.583 13.947 1064 1HG1 VAL 137 1HG1 VAL 137 6.884 -0.069 11.796 1065 2HG1 VAL 137 2HG1 VAL 137 5.811 -1.404 12.282 1066 3HG1 VAL 137 3HG1 VAL 137 5.163 -0.038 11.342 1067 1HG2 VAL 137 1HG2 VAL 137 4.049 1.639 12.471 1068 2HG2 VAL 137 2HG2 VAL 137 4.588 2.227 14.062 1069 3HG2 VAL 137 3HG2 VAL 137 5.640 2.417 12.640 1070 H GLU 138 H GLU 138 2.722 1.162 14.997 1071 HA GLU 138 HA GLU 138 3.934 1.805 17.525 1072 1HB GLU 138 1HB GLU 138 1.844 2.982 15.760 1073 2HB GLU 138 2HB GLU 138 1.550 3.181 17.476 1074 1HG GLU 138 1HG GLU 138 4.364 3.714 16.700 1075 2HG GLU 138 2HG GLU 138 3.217 4.790 15.927 Start of MODEL 12 1 1H MET 1 H MET 1 -9.415 19.392 -11.217 2 HA MET 1 HA MET 1 -11.113 18.227 -13.058 3 1HB MET 1 1HB MET 1 -9.184 20.588 -13.089 4 2HB MET 1 2HB MET 1 -10.072 20.178 -14.543 5 1HG MET 1 1HG MET 1 -12.034 20.130 -12.509 6 2HG MET 1 2HG MET 1 -11.026 21.502 -12.094 7 1HE MET 1 1HE MET 1 -14.421 22.181 -13.993 8 2HE MET 1 2HE MET 1 -13.653 21.824 -12.427 9 3HE MET 1 3HE MET 1 -13.462 23.432 -13.167 10 H THR 2 H THR 2 -10.460 18.138 -15.550 11 HA THR 2 HA THR 2 -9.506 16.747 -17.032 12 HB THR 2 HB THR 2 -7.170 17.430 -17.512 13 HG1 THR 2 1HG THR 2 -6.602 17.270 -15.157 14 1HG2 THR 2 1HG2 THR 2 -7.529 20.046 -16.718 15 2HG2 THR 2 2HG2 THR 2 -8.266 19.356 -18.184 16 3HG2 THR 2 3HG2 THR 2 -9.207 19.455 -16.676 17 H ARG 3 H ARG 3 -7.081 15.386 -17.210 18 HA ARG 3 HA ARG 3 -7.618 13.029 -16.192 19 1HB ARG 3 1HB ARG 3 -5.225 12.473 -16.391 20 2HB ARG 3 2HB ARG 3 -5.674 13.566 -17.685 21 1HG ARG 3 1HG ARG 3 -4.826 15.044 -15.290 22 2HG ARG 3 2HG ARG 3 -3.583 13.928 -15.820 23 1HD ARG 3 1HD ARG 3 -3.259 15.022 -17.856 24 2HD ARG 3 2HD ARG 3 -4.924 15.558 -17.962 25 HE ARG 3 HE ARG 3 -3.568 16.818 -15.727 26 1HH1 ARG 3 2HH2 ARG 3 -3.932 16.954 -19.224 27 2HH1 ARG 3 1HH2 ARG 3 -3.530 18.636 -19.328 28 1HH2 ARG 3 2HH1 ARG 3 -3.037 19.036 -15.864 29 2HH2 ARG 3 1HH1 ARG 3 -3.018 19.828 -17.404 30 H LEU 4 H LEU 4 -6.797 11.730 -14.316 31 HA LEU 4 HA LEU 4 -6.722 13.397 -11.925 32 1HB LEU 4 1HB LEU 4 -7.032 10.406 -12.057 33 2HB LEU 4 2HB LEU 4 -7.425 11.483 -10.732 34 HG LEU 4 HG LEU 4 -8.859 11.584 -13.393 35 1HD1 LEU 4 1HD1 LEU 4 -10.159 9.844 -12.890 36 2HD1 LEU 4 2HD1 LEU 4 -8.915 9.407 -11.693 37 3HD1 LEU 4 3HD1 LEU 4 -10.337 10.354 -11.193 38 1HD2 LEU 4 1HD2 LEU 4 -8.878 13.277 -11.135 39 2HD2 LEU 4 2HD2 LEU 4 -9.956 13.316 -12.551 40 3HD2 LEU 4 3HD2 LEU 4 -10.414 12.377 -11.110 41 HA PRO 5 HA PRO 5 -2.492 12.605 -11.470 42 1HB PRO 5 1HB PRO 5 -2.146 13.507 -8.913 43 2HB PRO 5 2HB PRO 5 -2.186 14.569 -10.306 44 1HG PRO 5 1HG PRO 5 -4.269 14.120 -8.257 45 2HG PRO 5 2HG PRO 5 -4.108 15.451 -9.385 46 1HD PRO 5 1HD PRO 5 -5.932 13.246 -9.581 47 2HD PRO 5 2HD PRO 5 -5.690 14.514 -10.766 48 H ASP 6 H ASP 6 -0.830 11.439 -10.148 49 HA ASP 6 HA ASP 6 -1.906 8.899 -9.658 50 1HB ASP 6 1HB ASP 6 0.453 8.435 -8.779 51 2HB ASP 6 2HB ASP 6 0.359 9.019 -10.429 52 H ILE 7 H ILE 7 -2.544 7.973 -7.668 53 HA ILE 7 HA ILE 7 -2.901 9.723 -5.463 54 HB ILE 7 HB ILE 7 -3.250 6.728 -5.614 55 1HG1 ILE 7 1HG1 ILE 7 -5.107 8.978 -6.421 56 2HG1 ILE 7 2HG1 ILE 7 -4.502 7.673 -7.422 57 1HG2 ILE 7 1HG2 ILE 7 -4.864 8.557 -3.876 58 2HG2 ILE 7 2HG2 ILE 7 -4.471 6.833 -3.672 59 3HG2 ILE 7 3HG2 ILE 7 -3.232 8.072 -3.358 60 1HD1 ILE 7 1HD1 ILE 7 -6.695 6.974 -6.845 61 2HD1 ILE 7 2HD1 ILE 7 -5.657 6.071 -5.716 62 3HD1 ILE 7 3HD1 ILE 7 -6.522 7.525 -5.162 63 H LYS 8 H LYS 8 -0.422 10.247 -5.582 64 HA LYS 8 HA LYS 8 1.127 8.242 -4.151 65 1HB LYS 8 1HB LYS 8 2.277 9.116 -6.017 66 2HB LYS 8 2HB LYS 8 1.814 10.766 -5.654 67 1HG LYS 8 1HG LYS 8 3.194 10.706 -3.573 68 2HG LYS 8 2HG LYS 8 3.643 9.046 -3.911 69 1HD LYS 8 1HD LYS 8 5.459 10.028 -4.923 70 2HD LYS 8 2HD LYS 8 4.365 10.164 -6.286 71 1HE LYS 8 1HE LYS 8 4.121 12.451 -6.046 72 2HE LYS 8 2HE LYS 8 4.170 12.383 -4.296 73 1HZ LYS 8 1HZ LYS 8 6.429 12.316 -6.153 74 2HZ LYS 8 2HZ LYS 8 6.147 13.370 -4.937 75 3HZ LYS 8 3HZ LYS 8 6.593 11.835 -4.600 76 H LYS 9 H LYS 9 1.362 8.283 -1.982 77 HA LYS 9 HA LYS 9 1.000 10.873 -0.660 78 1HB LYS 9 1HB LYS 9 -0.217 8.254 0.268 79 2HB LYS 9 2HB LYS 9 -0.298 9.787 1.112 80 1HG LYS 9 1HG LYS 9 -1.215 9.761 -1.753 81 2HG LYS 9 2HG LYS 9 -2.240 8.952 -0.585 82 1HD LYS 9 1HD LYS 9 -1.987 11.143 0.842 83 2HD LYS 9 2HD LYS 9 -1.406 11.874 -0.641 84 1HE LYS 9 1HE LYS 9 -3.504 11.272 -1.809 85 2HE LYS 9 2HE LYS 9 -4.079 10.412 -0.394 86 1HZ LYS 9 1HZ LYS 9 -3.934 13.243 -0.864 87 2HZ LYS 9 2HZ LYS 9 -5.005 12.386 0.023 88 3HZ LYS 9 3HZ LYS 9 -3.548 12.771 0.652 89 H GLU 10 H GLU 10 1.997 10.902 1.561 90 HA GLU 10 HA GLU 10 4.038 8.872 1.861 91 1HB GLU 10 1HB GLU 10 5.164 10.650 0.606 92 2HB GLU 10 2HB GLU 10 4.590 11.867 1.729 93 1HG GLU 10 1HG GLU 10 6.143 9.566 2.888 94 2HG GLU 10 2HG GLU 10 7.042 10.732 1.939 95 H VAL 11 H VAL 11 4.541 8.416 4.032 96 HA VAL 11 HA VAL 11 3.431 10.219 6.040 97 HB VAL 11 HB VAL 11 2.618 8.085 7.222 98 1HG1 VAL 11 1HG1 VAL 11 0.521 8.695 6.641 99 2HG1 VAL 11 2HG1 VAL 11 1.347 9.988 5.740 100 3HG1 VAL 11 3HG1 VAL 11 0.835 8.505 4.899 101 1HG2 VAL 11 1HG2 VAL 11 2.070 6.898 4.562 102 2HG2 VAL 11 2HG2 VAL 11 3.752 6.776 5.130 103 3HG2 VAL 11 3HG2 VAL 11 2.428 6.116 6.120 104 H ARG 12 H ARG 12 4.509 10.083 8.089 105 HA ARG 12 HA ARG 12 6.963 8.525 7.916 106 1HB ARG 12 1HB ARG 12 7.458 10.934 7.747 107 2HB ARG 12 2HB ARG 12 6.492 11.275 9.169 108 1HG ARG 12 1HG ARG 12 8.247 9.365 10.149 109 2HG ARG 12 2HG ARG 12 9.256 10.188 8.975 110 1HD ARG 12 1HD ARG 12 9.244 12.192 10.151 111 2HD ARG 12 2HD ARG 12 7.612 11.963 10.748 112 HE ARG 12 HE ARG 12 8.497 10.951 12.655 113 1HH1 ARG 12 2HH2 ARG 12 10.893 10.794 10.082 114 2HH1 ARG 12 1HH2 ARG 12 12.125 10.121 11.097 115 1HH2 ARG 12 2HH1 ARG 12 10.123 10.064 13.994 116 2HH2 ARG 12 1HH1 ARG 12 11.684 9.703 13.337 117 H PHE 13 H PHE 13 7.475 7.234 9.718 118 HA PHE 13 HA PHE 13 5.787 7.598 12.085 119 1HB PHE 13 1HB PHE 13 6.643 4.965 10.742 120 2HB PHE 13 2HB PHE 13 5.588 5.098 12.135 121 HD1 PHE 13 1HD PHE 13 5.284 3.942 9.144 122 HD2 PHE 13 2HD PHE 13 3.814 7.325 11.242 123 HE1 PHE 13 1HE PHE 13 3.287 4.017 7.625 124 HE2 PHE 13 2HE PHE 13 1.818 7.401 9.722 125 HZ PHE 13 HZ PHE 13 1.578 5.746 7.932 126 H ASN 14 H ASN 14 6.753 6.926 14.094 127 HA ASN 14 HA ASN 14 9.610 7.082 13.964 128 1HB ASN 14 1HB ASN 14 7.565 7.800 15.851 129 2HB ASN 14 2HB ASN 14 8.563 6.599 16.646 130 1HD2 ASN 14 1HD2 ASN 14 8.207 9.562 16.940 131 2HD2 ASN 14 2HD2 ASN 14 9.801 10.240 16.902 132 H ALA 15 H ALA 15 10.616 5.098 13.513 133 HA ALA 15 HA ALA 15 10.669 3.046 15.330 134 1HB ALA 15 1HB ALA 15 8.781 1.874 14.998 135 2HB ALA 15 2HB ALA 15 8.279 2.986 13.702 136 3HB ALA 15 3HB ALA 15 9.299 1.578 13.321 137 HA PRO 16 HA PRO 16 13.787 1.847 12.580 138 1HB PRO 16 1HB PRO 16 14.014 -0.857 12.899 139 2HB PRO 16 2HB PRO 16 14.667 0.301 14.041 140 1HG PRO 16 1HG PRO 16 12.258 -1.394 14.292 141 2HG PRO 16 2HG PRO 16 13.155 -0.567 15.550 142 1HD PRO 16 1HD PRO 16 10.648 0.242 14.417 143 2HD PRO 16 2HD PRO 16 11.601 1.126 15.591 144 H ILE 17 H ILE 17 14.015 1.867 10.435 145 HA ILE 17 HA ILE 17 11.916 1.340 8.790 146 HB ILE 17 HB ILE 17 13.846 2.594 8.114 147 1HG1 ILE 17 1HG1 ILE 17 13.995 0.313 6.203 148 2HG1 ILE 17 2HG1 ILE 17 12.408 0.992 6.502 149 1HG2 ILE 17 1HG2 ILE 17 15.361 -0.024 8.284 150 2HG2 ILE 17 2HG2 ILE 17 15.984 1.468 7.538 151 3HG2 ILE 17 3HG2 ILE 17 15.606 1.433 9.277 152 1HD1 ILE 17 1HD1 ILE 17 12.976 3.091 5.631 153 2HD1 ILE 17 2HD1 ILE 17 14.709 2.880 5.981 154 3HD1 ILE 17 3HD1 ILE 17 13.965 2.017 4.613 155 H GLU 18 H GLU 18 14.193 -0.932 10.285 156 HA GLU 18 HA GLU 18 13.797 -3.065 8.592 157 1HB GLU 18 1HB GLU 18 15.267 -2.588 10.872 158 2HB GLU 18 2HB GLU 18 14.067 -3.707 11.487 159 1HG GLU 18 1HG GLU 18 15.287 -4.439 8.852 160 2HG GLU 18 2HG GLU 18 16.370 -4.491 10.229 161 H LYS 19 H LYS 19 11.948 -1.976 11.499 162 HA LYS 19 HA LYS 19 10.230 -4.159 11.635 163 1HB LYS 19 1HB LYS 19 10.676 -1.887 13.103 164 2HB LYS 19 2HB LYS 19 9.112 -1.535 12.397 165 1HG LYS 19 1HG LYS 19 8.060 -3.342 13.456 166 2HG LYS 19 2HG LYS 19 9.531 -4.290 13.546 167 1HD LYS 19 1HD LYS 19 10.334 -3.123 15.442 168 2HD LYS 19 2HD LYS 19 9.353 -1.708 15.116 169 1HE LYS 19 1HE LYS 19 7.286 -3.174 15.588 170 2HE LYS 19 2HE LYS 19 8.390 -4.410 16.158 171 1HZ LYS 19 1HZ LYS 19 8.863 -1.811 17.258 172 2HZ LYS 19 2HZ LYS 19 7.418 -2.453 17.667 173 3HZ LYS 19 3HZ LYS 19 8.796 -3.263 18.004 174 H VAL 20 H VAL 20 9.865 -0.971 9.943 175 HA VAL 20 HA VAL 20 7.360 -1.547 8.860 176 HB VAL 20 HB VAL 20 9.572 0.249 7.845 177 1HG1 VAL 20 1HG1 VAL 20 6.594 0.229 7.250 178 2HG1 VAL 20 2HG1 VAL 20 7.723 1.521 6.776 179 3HG1 VAL 20 3HG1 VAL 20 7.916 -0.118 6.110 180 1HG2 VAL 20 1HG2 VAL 20 8.519 0.452 10.285 181 2HG2 VAL 20 2HG2 VAL 20 8.892 1.886 9.297 182 3HG2 VAL 20 3HG2 VAL 20 7.223 1.275 9.384 183 H TRP 21 H TRP 21 10.712 -2.171 7.701 184 HA TRP 21 HA TRP 21 9.993 -3.062 5.151 185 1HB TRP 21 1HB TRP 21 12.270 -2.392 5.942 186 2HB TRP 21 2HB TRP 21 12.373 -3.912 6.806 187 HD1 TRP 21 HD TRP 21 13.825 -5.576 5.427 188 HE1 TRP 21 1HE TRP 21 14.222 -6.250 2.907 189 HE3 TRP 21 3HE TRP 21 10.595 -2.177 3.460 190 HZ2 TRP 21 2HZ TRP 21 13.165 -5.307 0.429 191 HZ3 TRP 21 3HZ TRP 21 10.336 -2.120 0.982 192 HH2 TRP 21 HH TRP 21 11.557 -3.612 -0.520 193 H GLU 22 H GLU 22 10.777 -4.892 8.202 194 HA GLU 22 HA GLU 22 10.175 -7.369 7.208 195 1HB GLU 22 1HB GLU 22 10.794 -6.188 9.752 196 2HB GLU 22 2HB GLU 22 9.413 -7.241 9.991 197 1HG GLU 22 1HG GLU 22 10.662 -9.088 8.798 198 2HG GLU 22 2HG GLU 22 12.054 -8.031 8.674 199 H ALA 23 H ALA 23 8.060 -4.718 8.121 200 HA ALA 23 HA ALA 23 5.748 -6.433 8.397 201 1HB ALA 23 1HB ALA 23 6.187 -3.424 8.482 202 2HB ALA 23 2HB ALA 23 4.597 -4.199 8.688 203 3HB ALA 23 3HB ALA 23 5.901 -4.519 9.857 204 H VAL 24 H VAL 24 7.360 -4.342 5.999 205 HA VAL 24 HA VAL 24 5.109 -4.708 4.179 206 HB VAL 24 HB VAL 24 6.108 -2.994 2.865 207 1HG1 VAL 24 1HG1 VAL 24 5.768 -2.575 5.780 208 2HG1 VAL 24 2HG1 VAL 24 6.621 -1.279 4.908 209 3HG1 VAL 24 3HG1 VAL 24 4.986 -1.766 4.401 210 1HG2 VAL 24 1HG2 VAL 24 8.375 -2.167 4.393 211 2HG2 VAL 24 2HG2 VAL 24 8.551 -3.902 4.036 212 3HG2 VAL 24 3HG2 VAL 24 8.316 -2.740 2.709 213 H SER 25 H SER 25 7.357 -6.708 5.188 214 HA SER 25 HA SER 25 8.125 -7.498 2.486 215 1HB SER 25 1HB SER 25 10.170 -8.392 3.333 216 2HB SER 25 2HB SER 25 10.002 -6.820 4.088 217 HG SER 25 HG SER 25 8.855 -8.198 5.875 218 H THR 26 H THR 26 6.896 -8.461 5.710 219 HA THR 26 HA THR 26 6.583 -11.222 4.880 220 HB THR 26 HB THR 26 5.752 -11.443 7.240 221 HG1 THR 26 1HG THR 26 4.837 -9.160 7.068 222 1HG2 THR 26 1HG2 THR 26 7.804 -10.130 8.358 223 2HG2 THR 26 2HG2 THR 26 8.102 -11.581 7.370 224 3HG2 THR 26 3HG2 THR 26 8.331 -9.962 6.666 225 H SER 27 H SER 27 4.349 -12.253 5.445 226 HA SER 27 HA SER 27 2.487 -10.772 3.834 227 1HB SER 27 1HB SER 27 2.742 -13.620 4.783 228 2HB SER 27 2HB SER 27 1.151 -13.048 4.321 229 HG SER 27 HG SER 27 3.535 -13.194 2.702 230 H GLU 28 H GLU 28 2.665 -12.347 7.099 231 HA GLU 28 HA GLU 28 0.131 -11.607 7.903 232 1HB GLU 28 1HB GLU 28 2.375 -12.950 9.006 233 2HB GLU 28 2HB GLU 28 2.019 -11.651 10.127 234 1HG GLU 28 1HG GLU 28 -0.526 -12.590 9.576 235 2HG GLU 28 2HG GLU 28 0.411 -14.066 9.455 236 H GLY 29 H GLY 29 3.285 -9.894 8.033 237 1HA GLY 29 1HA GLY 29 2.452 -7.766 9.697 238 2HA GLY 29 2HA GLY 29 3.833 -7.791 8.617 239 H LEU 30 H LEU 30 2.320 -8.374 6.151 240 HA LEU 30 HA LEU 30 1.557 -5.689 5.560 241 1HB LEU 30 1HB LEU 30 2.177 -8.155 4.124 242 2HB LEU 30 2HB LEU 30 0.848 -7.268 3.403 243 HG LEU 30 HG LEU 30 3.074 -5.507 4.074 244 1HD1 LEU 30 1HD1 LEU 30 4.651 -7.137 3.681 245 2HD1 LEU 30 2HD1 LEU 30 3.635 -7.995 2.498 246 3HD1 LEU 30 3HD1 LEU 30 4.426 -6.465 2.047 247 1HD2 LEU 30 1HD2 LEU 30 2.801 -4.890 1.667 248 2HD2 LEU 30 2HD2 LEU 30 1.557 -6.157 1.536 249 3HD2 LEU 30 3HD2 LEU 30 1.309 -4.776 2.632 250 H ALA 31 H ALA 31 -0.159 -8.888 5.640 251 HA ALA 31 HA ALA 31 -2.674 -7.883 5.052 252 1HB ALA 31 1HB ALA 31 -1.971 -10.250 6.831 253 2HB ALA 31 2HB ALA 31 -3.474 -10.009 5.909 254 3HB ALA 31 3HB ALA 31 -1.939 -10.284 5.052 255 H PHE 32 H PHE 32 -0.666 -7.426 7.835 256 HA PHE 32 HA PHE 32 -2.650 -7.224 9.804 257 1HB PHE 32 1HB PHE 32 0.152 -7.051 9.521 258 2HB PHE 32 2HB PHE 32 -0.278 -5.402 9.928 259 HD1 PHE 32 1HD PHE 32 -2.262 -5.477 11.909 260 HD2 PHE 32 2HD PHE 32 0.914 -8.232 11.335 261 HE1 PHE 32 1HE PHE 32 -2.366 -6.103 14.338 262 HE2 PHE 32 2HE PHE 32 0.810 -8.858 13.763 263 HZ PHE 32 HZ PHE 32 -0.829 -7.786 15.236 264 H TRP 33 H TRP 33 -1.782 -5.169 7.115 265 HA TRP 33 HA TRP 33 -3.627 -3.149 8.156 266 1HB TRP 33 1HB TRP 33 -2.174 -1.360 7.319 267 2HB TRP 33 2HB TRP 33 -1.471 -2.247 8.657 268 HD1 TRP 33 HD TRP 33 0.602 -4.000 7.963 269 HE1 TRP 33 1HE TRP 33 2.421 -3.933 6.054 270 HE3 TRP 33 3HE TRP 33 -1.849 -0.652 5.023 271 HZ2 TRP 33 2HZ TRP 33 2.627 -2.520 3.583 272 HZ3 TRP 33 3HZ TRP 33 -0.769 0.018 2.878 273 HH2 TRP 33 HH TRP 33 1.391 -0.859 2.143 274 H PHE 34 H PHE 34 -1.655 -4.388 5.369 275 HA PHE 34 HA PHE 34 -3.336 -3.239 3.421 276 1HB PHE 34 1HB PHE 34 -1.026 -3.865 2.915 277 2HB PHE 34 2HB PHE 34 -1.247 -5.475 3.571 278 HD1 PHE 34 1HD PHE 34 -3.529 -3.745 1.216 279 HD2 PHE 34 2HD PHE 34 -0.611 -6.784 1.723 280 HE1 PHE 34 1HE PHE 34 -4.033 -4.613 -1.084 281 HE2 PHE 34 2HE PHE 34 -1.116 -7.652 -0.577 282 HZ PHE 34 HZ PHE 34 -2.820 -6.556 -1.954 283 H MET 35 H MET 35 -2.698 -6.765 3.449 284 HA MET 35 HA MET 35 -5.242 -7.547 4.216 285 1HB MET 35 1HB MET 35 -4.983 -6.599 1.454 286 2HB MET 35 2HB MET 35 -5.375 -8.307 1.448 287 1HG MET 35 1HG MET 35 -7.196 -7.607 3.264 288 2HG MET 35 2HG MET 35 -6.977 -6.003 2.592 289 1HE MET 35 1HE MET 35 -6.739 -6.898 -0.985 290 2HE MET 35 2HE MET 35 -8.152 -5.851 -0.710 291 3HE MET 35 3HE MET 35 -6.671 -5.617 0.249 292 H GLU 36 H GLU 36 -5.641 -9.949 3.635 293 HA GLU 36 HA GLU 36 -3.416 -11.386 4.292 294 1HB GLU 36 1HB GLU 36 -6.062 -12.136 3.018 295 2HB GLU 36 2HB GLU 36 -4.843 -13.362 3.302 296 1HG GLU 36 1HG GLU 36 -4.943 -11.894 5.721 297 2HG GLU 36 2HG GLU 36 -6.618 -12.033 5.224 298 H ASN 37 H ASN 37 -1.760 -12.413 3.167 299 HA ASN 37 HA ASN 37 -1.994 -12.828 0.376 300 1HB ASN 37 1HB ASN 37 -0.015 -11.404 -0.247 301 2HB ASN 37 2HB ASN 37 -1.367 -10.440 0.313 302 1HD2 ASN 37 1HD2 ASN 37 -1.393 -10.272 2.841 303 2HD2 ASN 37 2HD2 ASN 37 0.091 -9.748 3.565 304 H ASP 38 H ASP 38 0.459 -13.529 -0.408 305 HA ASP 38 HA ASP 38 1.626 -14.965 1.846 306 1HB ASP 38 1HB ASP 38 0.287 -16.203 -0.154 307 2HB ASP 38 2HB ASP 38 1.837 -16.051 -0.958 308 H LEU 39 H LEU 39 2.315 -12.304 0.702 309 HA LEU 39 HA LEU 39 4.491 -12.606 -1.091 310 1HB LEU 39 1HB LEU 39 3.219 -10.595 -1.095 311 2HB LEU 39 2HB LEU 39 3.486 -10.335 0.617 312 HG LEU 39 HG LEU 39 6.000 -10.488 -0.861 313 1HD1 LEU 39 1HD1 LEU 39 5.805 -8.419 -2.105 314 2HD1 LEU 39 2HD1 LEU 39 4.593 -9.590 -2.679 315 3HD1 LEU 39 3HD1 LEU 39 4.102 -8.249 -1.616 316 1HD2 LEU 39 1HD2 LEU 39 4.864 -8.195 0.749 317 2HD2 LEU 39 2HD2 LEU 39 5.592 -9.642 1.486 318 3HD2 LEU 39 3HD2 LEU 39 6.571 -8.591 0.436 319 H LYS 40 H LYS 40 6.762 -12.297 -0.655 320 HA LYS 40 HA LYS 40 7.549 -12.444 2.133 321 1HB LYS 40 1HB LYS 40 7.280 -14.794 0.629 322 2HB LYS 40 2HB LYS 40 8.998 -14.448 0.600 323 1HG LYS 40 1HG LYS 40 9.173 -14.476 2.983 324 2HG LYS 40 2HG LYS 40 7.447 -14.271 3.206 325 1HD LYS 40 1HD LYS 40 8.251 -16.709 1.673 326 2HD LYS 40 2HD LYS 40 8.739 -16.692 3.356 327 1HE LYS 40 1HE LYS 40 6.283 -16.014 3.892 328 2HE LYS 40 2HE LYS 40 5.916 -16.459 2.238 329 1HZ LYS 40 1HZ LYS 40 6.542 -18.644 2.642 330 2HZ LYS 40 2HZ LYS 40 7.325 -18.294 4.031 331 3HZ LYS 40 3HZ LYS 40 5.694 -18.232 3.976 332 H ALA 41 H ALA 41 7.656 -10.341 0.161 333 HA ALA 41 HA ALA 41 9.075 -9.030 -0.966 334 1HB ALA 41 1HB ALA 41 10.728 -9.815 1.468 335 2HB ALA 41 2HB ALA 41 11.082 -8.427 0.411 336 3HB ALA 41 3HB ALA 41 9.570 -8.468 1.349 337 H GLU 42 H GLU 42 9.134 -10.774 -2.710 338 HA GLU 42 HA GLU 42 11.911 -11.357 -3.185 339 1HB GLU 42 1HB GLU 42 10.261 -13.374 -2.166 340 2HB GLU 42 2HB GLU 42 10.230 -13.674 -3.892 341 1HG GLU 42 1HG GLU 42 12.675 -13.776 -3.990 342 2HG GLU 42 2HG GLU 42 12.814 -13.244 -2.326 343 H THR 43 H THR 43 12.383 -10.753 -5.257 344 HA THR 43 HA THR 43 10.312 -9.889 -6.985 345 HB THR 43 HB THR 43 12.882 -9.200 -6.668 346 HG1 THR 43 1HG THR 43 11.348 -8.205 -8.137 347 1HG2 THR 43 1HG2 THR 43 12.972 -11.091 -9.071 348 2HG2 THR 43 2HG2 THR 43 14.305 -10.098 -8.434 349 3HG2 THR 43 3HG2 THR 43 13.703 -11.487 -7.497 350 H GLY 44 H GLY 44 9.450 -10.753 -8.858 351 1HA GLY 44 1HA GLY 44 8.877 -12.342 -10.348 352 2HA GLY 44 2HA GLY 44 10.388 -13.166 -10.016 353 H HIS 45 H HIS 45 8.100 -12.366 -7.402 354 HA HIS 45 HA HIS 45 7.788 -15.214 -6.947 355 1HB HIS 45 1HB HIS 45 8.537 -13.593 -5.154 356 2HB HIS 45 2HB HIS 45 6.924 -12.908 -5.185 357 HD1 HIS 45 1HD HIS 45 7.472 -16.644 -5.492 358 HD2 HIS 45 2HD HIS 45 6.261 -13.833 -2.624 359 HE1 HIS 45 1HE HIS 45 6.548 -17.982 -3.526 360 H HIS 46 H HIS 46 5.452 -15.743 -5.933 361 HA HIS 46 HA HIS 46 3.405 -14.342 -7.437 362 1HB HIS 46 1HB HIS 46 2.476 -16.652 -8.096 363 2HB HIS 46 2HB HIS 46 3.787 -15.969 -9.037 364 HD1 HIS 46 1HD HIS 46 3.013 -18.734 -6.591 365 HD2 HIS 46 2HD HIS 46 6.245 -17.351 -8.881 366 HE1 HIS 46 1HE HIS 46 4.785 -20.568 -6.508 367 H PHE 47 H PHE 47 1.963 -13.731 -5.910 368 HA PHE 47 HA PHE 47 1.236 -15.739 -3.912 369 1HB PHE 47 1HB PHE 47 1.263 -13.849 -2.230 370 2HB PHE 47 2HB PHE 47 2.856 -14.121 -2.908 371 HD1 PHE 47 1HD PHE 47 0.384 -11.703 -2.222 372 HD2 PHE 47 2HD PHE 47 3.477 -12.638 -4.974 373 HE1 PHE 47 1HE PHE 47 0.504 -9.291 -2.907 374 HE2 PHE 47 2HE PHE 47 3.597 -10.226 -5.658 375 HZ PHE 47 HZ PHE 47 2.109 -8.581 -4.617 376 H HIS 48 H HIS 48 -0.957 -15.807 -3.416 377 HA HIS 48 HA HIS 48 -2.620 -14.178 -5.128 378 1HB HIS 48 1HB HIS 48 -2.720 -16.819 -4.109 379 2HB HIS 48 2HB HIS 48 -4.079 -15.970 -3.399 380 HD1 HIS 48 1HD HIS 48 -2.838 -17.401 -6.602 381 HD2 HIS 48 2HD HIS 48 -5.985 -14.944 -5.315 382 HE1 HIS 48 1HE HIS 48 -4.518 -17.326 -8.522 383 H LEU 49 H LEU 49 -4.668 -13.199 -4.169 384 HA LEU 49 HA LEU 49 -4.135 -12.232 -1.449 385 1HB LEU 49 1HB LEU 49 -3.694 -10.678 -3.555 386 2HB LEU 49 2HB LEU 49 -5.427 -10.444 -3.454 387 HG LEU 49 HG LEU 49 -4.874 -9.953 -0.900 388 1HD1 LEU 49 1HD1 LEU 49 -2.344 -8.904 -2.152 389 2HD1 LEU 49 2HD1 LEU 49 -2.771 -9.070 -0.432 390 3HD1 LEU 49 3HD1 LEU 49 -2.407 -10.517 -1.402 391 1HD2 LEU 49 1HD2 LEU 49 -5.969 -8.435 -2.515 392 2HD2 LEU 49 2HD2 LEU 49 -4.860 -7.589 -1.410 393 3HD2 LEU 49 3HD2 LEU 49 -4.365 -7.919 -3.087 394 H GLN 50 H GLN 50 -5.832 -12.411 -0.053 395 HA GLN 50 HA GLN 50 -8.289 -13.402 -1.246 396 1HB GLN 50 1HB GLN 50 -7.386 -13.517 1.665 397 2HB GLN 50 2HB GLN 50 -8.794 -14.312 0.989 398 1HG GLN 50 1HG GLN 50 -6.357 -14.963 -0.528 399 2HG GLN 50 2HG GLN 50 -6.188 -15.377 1.167 400 1HE2 GLN 50 1HE2 GLN 50 -8.262 -15.718 -1.671 401 2HE2 GLN 50 2HE2 GLN 50 -8.976 -17.240 -1.256 402 H SER 51 H SER 51 -9.168 -11.349 -1.896 403 HA SER 51 HA SER 51 -9.565 -9.442 0.239 404 1HB SER 51 1HB SER 51 -10.740 -8.345 -2.016 405 2HB SER 51 2HB SER 51 -9.089 -8.064 -1.501 406 HG SER 51 HG SER 51 -9.923 -10.191 -3.285 407 HA PRO 52 HA PRO 52 -13.783 -10.429 0.650 408 1HB PRO 52 1HB PRO 52 -14.925 -8.037 1.313 409 2HB PRO 52 2HB PRO 52 -14.042 -9.027 2.458 410 1HG PRO 52 1HG PRO 52 -13.190 -6.530 1.124 411 2HG PRO 52 2HG PRO 52 -12.526 -7.291 2.556 412 1HD PRO 52 1HD PRO 52 -11.405 -7.328 -0.084 413 2HD PRO 52 2HD PRO 52 -10.804 -8.184 1.322 414 H PHE 53 H PHE 53 -12.750 -8.495 -1.852 415 HA PHE 53 HA PHE 53 -15.436 -8.461 -3.010 416 1HB PHE 53 1HB PHE 53 -12.864 -6.905 -3.196 417 2HB PHE 53 2HB PHE 53 -13.693 -7.118 -4.725 418 HD1 PHE 53 1HD PHE 53 -15.475 -5.721 -5.302 419 HD2 PHE 53 2HD PHE 53 -14.221 -5.904 -1.252 420 HE1 PHE 53 1HE PHE 53 -16.994 -3.802 -4.745 421 HE2 PHE 53 2HE PHE 53 -15.740 -3.985 -0.695 422 HZ PHE 53 HZ PHE 53 -17.108 -2.957 -2.448 423 H GLY 54 H GLY 54 -13.249 -10.749 -2.750 424 1HA GLY 54 1HA GLY 54 -13.515 -12.614 -4.278 425 2HA GLY 54 2HA GLY 54 -13.357 -11.490 -5.613 426 HA PRO 55 HA PRO 55 -9.202 -13.051 -4.152 427 1HB PRO 55 1HB PRO 55 -8.827 -15.322 -5.625 428 2HB PRO 55 2HB PRO 55 -9.358 -15.340 -3.956 429 1HG PRO 55 1HG PRO 55 -10.938 -15.822 -6.408 430 2HG PRO 55 2HG PRO 55 -11.326 -16.243 -4.752 431 1HD PRO 55 1HD PRO 55 -12.412 -14.064 -6.269 432 2HD PRO 55 2HD PRO 55 -12.712 -14.416 -4.578 433 H SER 56 H SER 56 -7.337 -12.296 -5.042 434 HA SER 56 HA SER 56 -7.432 -12.071 -7.928 435 1HB SER 56 1HB SER 56 -7.580 -9.842 -6.015 436 2HB SER 56 2HB SER 56 -6.215 -9.675 -7.101 437 HG SER 56 HG SER 56 -7.547 -9.186 -8.700 438 HA PRO 57 HA PRO 57 -3.304 -13.340 -7.302 439 1HB PRO 57 1HB PRO 57 -2.376 -13.134 -9.864 440 2HB PRO 57 2HB PRO 57 -3.291 -14.512 -9.284 441 1HG PRO 57 1HG PRO 57 -4.180 -12.301 -11.034 442 2HG PRO 57 2HG PRO 57 -4.915 -13.873 -10.792 443 1HD PRO 57 1HD PRO 57 -5.801 -11.375 -9.693 444 2HD PRO 57 2HD PRO 57 -6.466 -12.962 -9.359 445 H CYS 58 H CYS 58 -1.009 -12.696 -7.423 446 HA CYS 58 HA CYS 58 -0.723 -9.873 -7.990 447 1HB CYS 58 1HB CYS 58 -0.005 -10.973 -5.253 448 2HB CYS 58 2HB CYS 58 0.246 -9.334 -5.819 449 HG CYS 58 HG CYS 58 -1.802 -9.460 -4.145 450 H GLN 59 H GLN 59 1.616 -9.293 -8.163 451 HA GLN 59 HA GLN 59 3.456 -11.481 -7.997 452 1HB GLN 59 1HB GLN 59 2.797 -11.979 -10.207 453 2HB GLN 59 2HB GLN 59 2.556 -10.295 -10.628 454 1HG GLN 59 1HG GLN 59 4.783 -9.951 -11.118 455 2HG GLN 59 2HG GLN 59 5.341 -10.973 -9.809 456 1HE2 GLN 59 1HE2 GLN 59 5.794 -13.076 -10.141 457 2HE2 GLN 59 2HE2 GLN 59 5.732 -13.880 -11.674 458 H VAL 60 H VAL 60 5.526 -10.747 -7.503 459 HA VAL 60 HA VAL 60 5.762 -7.908 -7.075 460 HB VAL 60 HB VAL 60 7.737 -10.141 -6.570 461 1HG1 VAL 60 1HG1 VAL 60 7.919 -8.020 -4.676 462 2HG1 VAL 60 2HG1 VAL 60 9.119 -8.531 -5.888 463 3HG1 VAL 60 3HG1 VAL 60 7.908 -7.293 -6.301 464 1HG2 VAL 60 1HG2 VAL 60 6.797 -9.723 -4.133 465 2HG2 VAL 60 2HG2 VAL 60 5.346 -9.202 -5.024 466 3HG2 VAL 60 3HG2 VAL 60 5.986 -10.847 -5.251 467 H THR 61 H THR 61 7.211 -6.500 -8.113 468 HA THR 61 HA THR 61 8.382 -7.606 -10.581 469 HB THR 61 HB THR 61 7.941 -5.386 -11.551 470 HG1 THR 61 1HG THR 61 7.258 -3.726 -10.117 471 1HG2 THR 61 1HG2 THR 61 5.474 -5.175 -11.272 472 2HG2 THR 61 2HG2 THR 61 5.926 -6.884 -11.479 473 3HG2 THR 61 3HG2 THR 61 5.537 -6.256 -9.860 474 H ASP 62 H ASP 62 8.888 -5.636 -7.658 475 HA ASP 62 HA ASP 62 11.700 -5.999 -8.063 476 1HB ASP 62 1HB ASP 62 10.366 -3.467 -8.601 477 2HB ASP 62 2HB ASP 62 11.427 -3.275 -7.220 478 H VAL 63 H VAL 63 12.705 -6.230 -6.012 479 HA VAL 63 HA VAL 63 11.662 -4.986 -3.688 480 HB VAL 63 HB VAL 63 9.949 -6.640 -3.838 481 1HG1 VAL 63 1HG1 VAL 63 10.303 -8.988 -4.098 482 2HG1 VAL 63 2HG1 VAL 63 11.246 -8.176 -5.370 483 3HG1 VAL 63 3HG1 VAL 63 12.065 -8.809 -3.923 484 1HG2 VAL 63 1HG2 VAL 63 10.045 -7.410 -1.681 485 2HG2 VAL 63 2HG2 VAL 63 11.734 -7.953 -1.828 486 3HG2 VAL 63 3HG2 VAL 63 11.370 -6.222 -1.626 487 H GLU 64 H GLU 64 13.630 -4.333 -2.959 488 HA GLU 64 HA GLU 64 15.471 -6.394 -2.240 489 1HB GLU 64 1HB GLU 64 16.120 -5.896 -4.599 490 2HB GLU 64 2HB GLU 64 16.329 -4.206 -4.185 491 1HG GLU 64 1HG GLU 64 18.457 -4.651 -3.551 492 2HG GLU 64 2HG GLU 64 17.839 -5.648 -2.249 493 H ARG 65 H ARG 65 15.632 -5.858 -0.095 494 HA ARG 65 HA ARG 65 15.991 -4.725 1.708 495 1HB ARG 65 1HB ARG 65 17.860 -3.642 -0.208 496 2HB ARG 65 2HB ARG 65 17.306 -2.311 0.788 497 1HG ARG 65 1HG ARG 65 18.893 -3.021 2.271 498 2HG ARG 65 2HG ARG 65 17.717 -4.242 2.713 499 1HD ARG 65 1HD ARG 65 19.321 -5.763 2.140 500 2HD ARG 65 2HD ARG 65 18.904 -5.395 0.478 501 HE ARG 65 HE ARG 65 20.747 -3.409 1.311 502 1HH1 ARG 65 2HH2 ARG 65 20.700 -6.891 0.808 503 2HH1 ARG 65 1HH2 ARG 65 22.386 -6.987 0.423 504 1HH2 ARG 65 2HH1 ARG 65 22.971 -3.534 0.804 505 2HH2 ARG 65 1HH1 ARG 65 23.686 -5.064 0.421 506 HA PRO 66 HA PRO 66 13.099 -1.477 2.076 507 1HB PRO 66 1HB PRO 66 13.975 0.024 4.185 508 2HB PRO 66 2HB PRO 66 13.145 -1.507 4.378 509 1HG PRO 66 1HG PRO 66 16.021 -0.903 4.705 510 2HG PRO 66 2HG PRO 66 15.115 -2.284 5.292 511 1HD PRO 66 1HD PRO 66 16.885 -2.225 3.035 512 2HD PRO 66 2HD PRO 66 15.891 -3.573 3.553 513 H ILE 67 H ILE 67 13.926 -0.832 -0.149 514 HA ILE 67 HA ILE 67 14.475 2.015 0.090 515 HB ILE 67 HB ILE 67 16.177 1.769 -1.771 516 1HG1 ILE 67 1HG1 ILE 67 17.376 -0.614 -1.325 517 2HG1 ILE 67 2HG1 ILE 67 15.703 -1.091 -1.111 518 1HG2 ILE 67 1HG2 ILE 67 16.486 2.089 0.848 519 2HG2 ILE 67 2HG2 ILE 67 17.284 0.505 0.694 520 3HG2 ILE 67 3HG2 ILE 67 17.871 1.893 -0.253 521 1HD1 ILE 67 1HD1 ILE 67 17.007 -0.833 -3.556 522 2HD1 ILE 67 2HD1 ILE 67 15.242 -0.882 -3.332 523 3HD1 ILE 67 3HD1 ILE 67 16.082 0.683 -3.443 524 H LYS 68 H LYS 68 13.778 -0.826 -2.037 525 HA LYS 68 HA LYS 68 11.718 0.799 -3.304 526 1HB LYS 68 1HB LYS 68 13.693 1.062 -4.730 527 2HB LYS 68 2HB LYS 68 13.879 -0.676 -4.837 528 1HG LYS 68 1HG LYS 68 12.393 -0.760 -6.546 529 2HG LYS 68 2HG LYS 68 11.151 -0.054 -5.531 530 1HD LYS 68 1HD LYS 68 11.592 2.137 -6.262 531 2HD LYS 68 2HD LYS 68 13.256 1.780 -6.680 532 1HE LYS 68 1HE LYS 68 12.710 1.096 -8.799 533 2HE LYS 68 2HE LYS 68 11.314 0.189 -8.251 534 1HZ LYS 68 1HZ LYS 68 11.228 3.101 -8.232 535 2HZ LYS 68 2HZ LYS 68 10.980 2.296 -9.630 536 3HZ LYS 68 3HZ LYS 68 9.994 2.038 -8.354 537 H LEU 69 H LEU 69 9.830 -0.308 -3.457 538 HA LEU 69 HA LEU 69 9.952 -3.205 -3.629 539 1HB LEU 69 1HB LEU 69 9.945 -2.658 -1.219 540 2HB LEU 69 2HB LEU 69 8.447 -1.776 -1.434 541 HG LEU 69 HG LEU 69 7.479 -3.996 -2.331 542 1HD1 LEU 69 1HD1 LEU 69 8.541 -6.003 -1.919 543 2HD1 LEU 69 2HD1 LEU 69 9.900 -4.966 -2.415 544 3HD1 LEU 69 3HD1 LEU 69 9.623 -5.306 -0.690 545 1HD2 LEU 69 1HD2 LEU 69 7.777 -4.698 0.396 546 2HD2 LEU 69 2HD2 LEU 69 7.776 -2.920 0.308 547 3HD2 LEU 69 3HD2 LEU 69 6.425 -3.846 -0.388 548 H SER 70 H SER 70 8.593 -3.848 -5.210 549 HA SER 70 HA SER 70 6.242 -2.188 -5.634 550 1HB SER 70 1HB SER 70 7.847 -1.570 -7.373 551 2HB SER 70 2HB SER 70 8.147 -3.252 -7.762 552 HG SER 70 HG SER 70 6.157 -1.586 -8.679 553 H PHE 71 H PHE 71 4.353 -3.355 -6.338 554 HA PHE 71 HA PHE 71 4.597 -6.162 -6.890 555 1HB PHE 71 1HB PHE 71 3.206 -6.798 -4.921 556 2HB PHE 71 2HB PHE 71 4.644 -5.970 -4.360 557 HD1 PHE 71 1HD PHE 71 1.213 -6.191 -3.947 558 HD2 PHE 71 2HD PHE 71 4.307 -3.297 -4.203 559 HE1 PHE 71 1HE PHE 71 -0.218 -4.550 -2.698 560 HE2 PHE 71 2HE PHE 71 2.876 -1.656 -2.954 561 HZ PHE 71 HZ PHE 71 0.630 -2.303 -2.216 562 H THR 72 H THR 72 3.020 -6.735 -8.327 563 HA THR 72 HA THR 72 0.934 -4.766 -8.836 564 HB THR 72 HB THR 72 0.704 -6.015 -10.951 565 HG1 THR 72 1HG THR 72 1.020 -8.138 -9.934 566 1HG2 THR 72 1HG2 THR 72 3.333 -5.078 -10.003 567 2HG2 THR 72 2HG2 THR 72 3.490 -6.397 -11.189 568 3HG2 THR 72 3HG2 THR 72 2.601 -4.916 -11.618 569 H TRP 73 H TRP 73 -1.207 -5.018 -8.450 570 HA TRP 73 HA TRP 73 -1.994 -7.624 -7.335 571 1HB TRP 73 1HB TRP 73 -1.823 -6.080 -5.517 572 2HB TRP 73 2HB TRP 73 -2.719 -4.851 -6.389 573 HD1 TRP 73 HD TRP 73 -4.088 -8.438 -6.440 574 HE1 TRP 73 1HE TRP 73 -6.339 -8.632 -5.076 575 HE3 TRP 73 3HE TRP 73 -3.890 -3.769 -4.435 576 HZ2 TRP 73 2HZ TRP 73 -7.752 -6.852 -3.350 577 HZ3 TRP 73 3HZ TRP 73 -5.745 -3.075 -2.921 578 HH2 TRP 73 HH TRP 73 -7.629 -4.531 -2.370 579 H ASP 74 H ASP 74 -3.718 -8.555 -8.388 580 HA ASP 74 HA ASP 74 -5.676 -8.610 -9.442 581 1HB ASP 74 1HB ASP 74 -5.813 -6.010 -8.901 582 2HB ASP 74 2HB ASP 74 -5.338 -5.819 -10.577 583 H THR 75 H THR 75 -2.696 -7.153 -10.684 584 HA THR 75 HA THR 75 -1.720 -7.130 -12.706 585 HB THR 75 HB THR 75 -1.137 -9.338 -13.327 586 HG1 THR 75 1HG THR 75 -3.831 -10.048 -12.405 587 1HG2 THR 75 1HG2 THR 75 -1.357 -8.984 -10.643 588 2HG2 THR 75 2HG2 THR 75 -2.594 -10.247 -10.852 589 3HG2 THR 75 3HG2 THR 75 -0.912 -10.556 -11.348 590 H ASP 76 H ASP 76 -3.994 -5.706 -12.967 591 HA ASP 76 HA ASP 76 -4.440 -5.853 -15.668 592 1HB ASP 76 1HB ASP 76 -5.759 -7.907 -15.083 593 2HB ASP 76 2HB ASP 76 -6.752 -6.953 -14.000 594 H GLY 77 H GLY 77 -5.693 -5.119 -12.381 595 1HA GLY 77 1HA GLY 77 -7.309 -2.894 -13.161 596 2HA GLY 77 2HA GLY 77 -6.830 -3.355 -11.539 597 H TRP 78 H TRP 78 -4.840 -2.558 -10.624 598 HA TRP 78 HA TRP 78 -3.355 -0.657 -12.257 599 1HB TRP 78 1HB TRP 78 -4.147 0.272 -9.543 600 2HB TRP 78 2HB TRP 78 -3.718 1.192 -10.971 601 HD1 TRP 78 HD TRP 78 -5.789 0.906 -13.047 602 HE1 TRP 78 1HE TRP 78 -8.403 1.168 -12.800 603 HE3 TRP 78 3HE TRP 78 -5.925 0.085 -8.031 604 HZ2 TRP 78 2HZ TRP 78 -10.194 1.007 -10.585 605 HZ3 TRP 78 3HZ TRP 78 -8.147 0.155 -6.903 606 HH2 TRP 78 HH TRP 78 -10.234 0.596 -8.097 607 H SER 79 H SER 79 -1.324 0.049 -10.943 608 HA SER 79 HA SER 79 -0.578 -2.139 -9.167 609 1HB SER 79 1HB SER 79 1.546 -0.837 -10.839 610 2HB SER 79 2HB SER 79 1.442 -2.488 -10.260 611 HG SER 79 HG SER 79 1.029 -1.913 -12.680 612 H VAL 80 H VAL 80 0.711 -1.546 -7.346 613 HA VAL 80 HA VAL 80 1.193 1.341 -7.089 614 HB VAL 80 HB VAL 80 -0.752 0.723 -5.796 615 1HG1 VAL 80 1HG1 VAL 80 -0.279 -1.689 -5.568 616 2HG1 VAL 80 2HG1 VAL 80 1.016 -1.318 -4.404 617 3HG1 VAL 80 3HG1 VAL 80 -0.677 -0.936 -4.005 618 1HG2 VAL 80 1HG2 VAL 80 1.718 1.726 -4.626 619 2HG2 VAL 80 2HG2 VAL 80 0.043 2.291 -4.414 620 3HG2 VAL 80 3HG2 VAL 80 0.671 0.967 -3.403 621 H THR 81 H THR 81 3.154 1.950 -6.119 622 HA THR 81 HA THR 81 4.961 -0.291 -5.494 623 HB THR 81 HB THR 81 5.567 2.315 -6.991 624 HG1 THR 81 1HG THR 81 4.935 0.996 -8.649 625 1HG2 THR 81 1HG2 THR 81 7.667 1.721 -6.093 626 2HG2 THR 81 2HG2 THR 81 7.246 -0.006 -6.001 627 3HG2 THR 81 3HG2 THR 81 7.643 0.731 -7.572 628 H PHE 82 H PHE 82 6.243 -0.122 -3.692 629 HA PHE 82 HA PHE 82 5.543 2.124 -1.966 630 1HB PHE 82 1HB PHE 82 6.797 -0.658 -1.614 631 2HB PHE 82 2HB PHE 82 6.728 0.485 -0.288 632 HD1 PHE 82 1HD PHE 82 4.114 1.639 -0.387 633 HD2 PHE 82 2HD PHE 82 5.273 -2.347 -1.268 634 HE1 PHE 82 1HE PHE 82 1.803 0.841 0.181 635 HE2 PHE 82 2HE PHE 82 2.962 -3.145 -0.699 636 HZ PHE 82 HZ PHE 82 1.254 -1.541 0.018 637 H HIS 83 H HIS 83 7.226 3.206 -0.695 638 HA HIS 83 HA HIS 83 9.922 2.833 -1.713 639 1HB HIS 83 1HB HIS 83 8.227 5.259 -2.082 640 2HB HIS 83 2HB HIS 83 9.906 5.517 -1.650 641 HD1 HIS 83 1HD HIS 83 11.729 4.377 -3.331 642 HD2 HIS 83 2HD HIS 83 7.790 4.675 -4.743 643 HE1 HIS 83 1HE HIS 83 11.853 4.078 -5.861 644 H LEU 84 H LEU 84 11.175 2.485 0.044 645 HA LEU 84 HA LEU 84 10.397 3.885 2.508 646 1HB LEU 84 1HB LEU 84 11.510 1.134 2.033 647 2HB LEU 84 2HB LEU 84 11.706 1.938 3.578 648 HG LEU 84 HG LEU 84 9.010 2.231 3.158 649 1HD1 LEU 84 1HD1 LEU 84 8.946 0.890 1.168 650 2HD1 LEU 84 2HD1 LEU 84 9.835 -0.429 1.967 651 3HD1 LEU 84 3HD1 LEU 84 8.183 -0.024 2.492 652 1HD2 LEU 84 1HD2 LEU 84 9.155 1.422 5.217 653 2HD2 LEU 84 2HD2 LEU 84 9.321 -0.214 4.534 654 3HD2 LEU 84 3HD2 LEU 84 10.772 0.756 4.885 655 H LYS 85 H LYS 85 12.181 4.596 3.907 656 HA LYS 85 HA LYS 85 14.845 4.478 3.099 657 1HB LYS 85 1HB LYS 85 14.894 7.071 2.532 658 2HB LYS 85 2HB LYS 85 14.688 5.850 1.293 659 1HG LYS 85 1HG LYS 85 12.328 6.213 1.152 660 2HG LYS 85 2HG LYS 85 12.269 7.038 2.697 661 1HD LYS 85 1HD LYS 85 13.946 8.206 0.460 662 2HD LYS 85 2HD LYS 85 12.208 8.428 0.431 663 1HE LYS 85 1HE LYS 85 12.284 9.442 2.709 664 2HE LYS 85 2HE LYS 85 14.016 9.184 2.778 665 1HZ LYS 85 1HZ LYS 85 14.262 10.629 0.889 666 2HZ LYS 85 2HZ LYS 85 12.647 10.842 0.773 667 3HZ LYS 85 3HZ LYS 85 13.454 11.409 2.075 668 H GLU 86 H GLU 86 15.714 4.447 5.097 669 HA GLU 86 HA GLU 86 14.389 5.484 7.296 670 1HB GLU 86 1HB GLU 86 16.267 3.669 7.111 671 2HB GLU 86 2HB GLU 86 17.386 5.015 7.211 672 1HG GLU 86 1HG GLU 86 15.232 5.119 9.251 673 2HG GLU 86 2HG GLU 86 16.252 3.700 9.387 674 H GLU 87 H GLU 87 14.493 7.450 8.390 675 HA GLU 87 HA GLU 87 16.109 9.467 7.049 676 1HB GLU 87 1HB GLU 87 13.368 9.425 7.769 677 2HB GLU 87 2HB GLU 87 14.118 10.530 8.903 678 1HG GLU 87 1HG GLU 87 15.055 10.874 6.104 679 2HG GLU 87 2HG GLU 87 13.342 11.178 6.315 680 H GLU 88 H GLU 88 16.077 11.464 9.059 681 HA GLU 88 HA GLU 88 18.262 11.008 10.460 682 1HB GLU 88 1HB GLU 88 15.824 12.679 11.006 683 2HB GLU 88 2HB GLU 88 17.010 12.550 12.289 684 1HG GLU 88 1HG GLU 88 18.540 12.987 9.943 685 2HG GLU 88 2HG GLU 88 17.159 14.053 9.776 686 H ASN 89 H ASN 89 15.125 10.897 12.281 687 HA ASN 89 HA ASN 89 16.162 8.508 13.586 688 1HB ASN 89 1HB ASN 89 15.077 11.066 14.766 689 2HB ASN 89 2HB ASN 89 14.649 9.574 15.581 690 1HD2 ASN 89 1HD2 ASN 89 16.090 8.531 16.805 691 2HD2 ASN 89 2HD2 ASN 89 17.734 9.011 17.062 692 H GLY 90 H GLY 90 14.616 7.891 11.551 693 1HA GLY 90 1HA GLY 90 12.323 6.691 12.507 694 2HA GLY 90 2HA GLY 90 11.810 8.249 11.890 695 H THR 91 H THR 91 10.745 6.150 10.581 696 HA THR 91 HA THR 91 12.424 5.805 8.186 697 HB THR 91 HB THR 91 10.155 4.108 9.353 698 HG1 THR 91 1HG THR 91 11.976 3.457 10.446 699 1HG2 THR 91 1HG2 THR 91 10.204 2.836 7.445 700 2HG2 THR 91 2HG2 THR 91 11.009 4.221 6.670 701 3HG2 THR 91 3HG2 THR 91 11.981 2.905 7.371 702 H ILE 92 H ILE 92 11.577 6.188 6.128 703 HA ILE 92 HA ILE 92 9.125 7.802 6.202 704 HB ILE 92 HB ILE 92 11.480 7.910 4.313 705 1HG1 ILE 92 1HG1 ILE 92 11.839 8.788 6.652 706 2HG1 ILE 92 2HG1 ILE 92 12.104 9.937 5.356 707 1HG2 ILE 92 1HG2 ILE 92 10.235 9.050 2.876 708 2HG2 ILE 92 2HG2 ILE 92 8.802 8.664 3.858 709 3HG2 ILE 92 3HG2 ILE 92 9.705 10.169 4.154 710 1HD1 ILE 92 1HD1 ILE 92 10.222 11.196 5.883 711 2HD1 ILE 92 2HD1 ILE 92 9.335 9.793 6.526 712 3HD1 ILE 92 3HD1 ILE 92 10.614 10.559 7.498 713 H PHE 93 H PHE 93 7.359 7.077 5.123 714 HA PHE 93 HA PHE 93 7.815 4.842 3.272 715 1HB PHE 93 1HB PHE 93 6.646 4.436 5.563 716 2HB PHE 93 2HB PHE 93 5.366 5.498 5.012 717 HD1 PHE 93 1HD PHE 93 6.275 2.179 5.342 718 HD2 PHE 93 2HD PHE 93 4.448 4.812 2.560 719 HE1 PHE 93 1HE PHE 93 5.129 0.231 4.250 720 HE2 PHE 93 2HE PHE 93 3.302 2.864 1.468 721 HZ PHE 93 HZ PHE 93 3.657 0.596 2.326 722 H THR 94 H THR 94 7.081 5.112 1.206 723 HA THR 94 HA THR 94 5.069 7.212 0.768 724 HB THR 94 HB THR 94 7.633 6.703 -0.833 725 HG1 THR 94 1HG THR 94 6.589 8.796 0.943 726 1HG2 THR 94 1HG2 THR 94 5.457 8.849 -1.067 727 2HG2 THR 94 2HG2 THR 94 6.999 8.853 -1.956 728 3HG2 THR 94 3HG2 THR 94 5.793 7.583 -2.272 729 H ILE 95 H ILE 95 3.491 6.787 -0.743 730 HA ILE 95 HA ILE 95 3.671 4.117 -1.958 731 HB ILE 95 HB ILE 95 2.088 3.829 -0.309 732 1HG1 ILE 95 1HG1 ILE 95 1.319 3.503 -2.817 733 2HG1 ILE 95 2HG1 ILE 95 0.227 3.219 -1.476 734 1HG2 ILE 95 1HG2 ILE 95 1.009 6.593 -0.921 735 2HG2 ILE 95 2HG2 ILE 95 0.321 5.453 0.260 736 3HG2 ILE 95 3HG2 ILE 95 1.959 6.108 0.504 737 1HD1 ILE 95 1HD1 ILE 95 0.431 5.842 -3.028 738 2HD1 ILE 95 2HD1 ILE 95 -0.831 4.607 -3.256 739 3HD1 ILE 95 3HD1 ILE 95 -0.719 5.492 -1.715 740 H VAL 96 H VAL 96 2.974 3.911 -4.112 741 HA VAL 96 HA VAL 96 2.180 6.421 -5.401 742 HB VAL 96 HB VAL 96 4.311 4.482 -6.318 743 1HG1 VAL 96 1HG1 VAL 96 3.266 6.966 -7.718 744 2HG1 VAL 96 2HG1 VAL 96 4.580 5.903 -8.278 745 3HG1 VAL 96 3HG1 VAL 96 2.912 5.288 -8.194 746 1HG2 VAL 96 1HG2 VAL 96 4.369 7.264 -5.170 747 2HG2 VAL 96 2HG2 VAL 96 5.371 5.850 -4.766 748 3HG2 VAL 96 3HG2 VAL 96 5.644 6.728 -6.291 749 H HIS 97 H HIS 97 0.392 6.200 -6.661 750 HA HIS 97 HA HIS 97 -0.268 3.473 -7.499 751 1HB HIS 97 1HB HIS 97 -1.594 4.693 -5.503 752 2HB HIS 97 2HB HIS 97 -2.482 5.363 -6.857 753 HD1 HIS 97 1HD HIS 97 -4.537 3.927 -5.864 754 HD2 HIS 97 2HD HIS 97 -1.360 1.719 -7.486 755 HE1 HIS 97 1HE HIS 97 -5.426 1.565 -6.239 756 H SER 98 H SER 98 -0.607 3.268 -9.663 757 HA SER 98 HA SER 98 -1.344 5.692 -11.088 758 1HB SER 98 1HB SER 98 0.763 3.718 -12.069 759 2HB SER 98 2HB SER 98 0.266 5.195 -12.872 760 HG SER 98 HG SER 98 1.479 5.091 -10.241 761 H GLY 99 H GLY 99 -2.378 5.225 -13.235 762 1HA GLY 99 1HA GLY 99 -3.065 3.330 -14.699 763 2HA GLY 99 2HA GLY 99 -3.627 2.543 -13.238 764 H TRP 100 H TRP 100 -4.535 5.133 -11.983 765 HA TRP 100 HA TRP 100 -7.173 5.076 -12.627 766 1HB TRP 100 1HB TRP 100 -5.607 7.492 -11.705 767 2HB TRP 100 2HB TRP 100 -7.340 7.268 -11.571 768 HD1 TRP 100 HD TRP 100 -4.082 6.267 -9.857 769 HE1 TRP 100 1HE TRP 100 -4.518 4.981 -7.594 770 HE3 TRP 100 3HE TRP 100 -9.086 5.679 -10.545 771 HZ2 TRP 100 2HZ TRP 100 -6.854 3.887 -6.374 772 HZ3 TRP 100 3HZ TRP 100 -10.371 4.490 -8.770 773 HH2 TRP 100 HH TRP 100 -9.334 3.608 -6.740 774 H LYS 101 H LYS 101 -8.551 6.473 -13.953 775 HA LYS 101 HA LYS 101 -7.097 7.480 -16.295 776 1HB LYS 101 1HB LYS 101 -9.900 6.357 -16.034 777 2HB LYS 101 2HB LYS 101 -9.278 7.118 -17.485 778 1HG LYS 101 1HG LYS 101 -7.299 5.416 -17.300 779 2HG LYS 101 2HG LYS 101 -8.312 4.558 -16.155 780 1HD LYS 101 1HD LYS 101 -9.870 3.932 -17.773 781 2HD LYS 101 2HD LYS 101 -9.592 5.357 -18.755 782 1HE LYS 101 1HE LYS 101 -8.501 3.811 -20.090 783 2HE LYS 101 2HE LYS 101 -7.156 4.243 -19.054 784 1HZ LYS 101 1HZ LYS 101 -7.467 1.865 -19.214 785 2HZ LYS 101 2HZ LYS 101 -7.668 2.364 -17.673 786 3HZ LYS 101 3HZ LYS 101 -8.968 1.978 -18.582 787 H GLN 102 H GLN 102 -9.034 9.086 -17.440 788 HA GLN 102 HA GLN 102 -8.736 11.393 -15.925 789 1HB GLN 102 1HB GLN 102 -8.931 11.481 -18.352 790 2HB GLN 102 2HB GLN 102 -10.522 10.748 -18.307 791 1HG GLN 102 1HG GLN 102 -11.396 12.726 -17.045 792 2HG GLN 102 2HG GLN 102 -9.805 13.458 -17.090 793 1HE2 GLN 102 1HE2 GLN 102 -12.563 12.407 -18.976 794 2HE2 GLN 102 2HE2 GLN 102 -12.268 13.358 -20.394 795 H GLY 103 H GLY 103 -10.380 12.755 -14.895 796 1HA GLY 103 1HA GLY 103 -12.239 11.202 -13.347 797 2HA GLY 103 2HA GLY 103 -11.931 12.925 -13.246 798 H ASP 104 H ASP 104 -13.371 10.481 -15.523 799 HA ASP 104 HA ASP 104 -15.708 12.110 -15.687 800 1HB ASP 104 1HB ASP 104 -14.092 13.009 -17.456 801 2HB ASP 104 2HB ASP 104 -14.161 11.439 -18.232 802 H THR 105 H THR 105 -13.747 9.390 -17.086 803 HA THR 105 HA THR 105 -15.949 7.859 -17.948 804 HB THR 105 HB THR 105 -13.422 7.766 -18.598 805 HG1 THR 105 1HG THR 105 -14.828 6.152 -19.391 806 1HG2 THR 105 1HG2 THR 105 -13.478 5.947 -16.132 807 2HG2 THR 105 2HG2 THR 105 -12.180 5.976 -17.349 808 3HG2 THR 105 3HG2 THR 105 -12.471 7.402 -16.324 809 H LYS 106 H LYS 106 -16.430 5.601 -17.080 810 HA LYS 106 HA LYS 106 -16.693 5.845 -14.166 811 1HB LYS 106 1HB LYS 106 -18.806 5.949 -15.496 812 2HB LYS 106 2HB LYS 106 -18.478 4.337 -16.098 813 1HG LYS 106 1HG LYS 106 -18.777 3.331 -13.977 814 2HG LYS 106 2HG LYS 106 -18.448 4.817 -13.110 815 1HD LYS 106 1HD LYS 106 -20.610 5.770 -14.086 816 2HD LYS 106 2HD LYS 106 -20.952 4.178 -14.735 817 1HE LYS 106 1HE LYS 106 -21.480 3.294 -12.670 818 2HE LYS 106 2HE LYS 106 -20.231 4.201 -11.841 819 1HZ LYS 106 1HZ LYS 106 -22.090 6.015 -12.780 820 2HZ LYS 106 2HZ LYS 106 -22.931 4.812 -12.065 821 3HZ LYS 106 3HZ LYS 106 -21.780 5.614 -11.228 822 H VAL 107 H VAL 107 -16.865 3.603 -13.057 823 HA VAL 107 HA VAL 107 -14.731 1.948 -14.202 824 HB VAL 107 HB VAL 107 -15.681 2.339 -11.359 825 1HG1 VAL 107 1HG1 VAL 107 -14.967 -0.002 -11.820 826 2HG1 VAL 107 2HG1 VAL 107 -13.385 0.618 -12.352 827 3HG1 VAL 107 3HG1 VAL 107 -13.908 0.842 -10.665 828 1HG2 VAL 107 1HG2 VAL 107 -13.787 3.617 -10.973 829 2HG2 VAL 107 2HG2 VAL 107 -12.908 2.931 -12.360 830 3HG2 VAL 107 3HG2 VAL 107 -14.218 4.107 -12.629 831 H GLU 108 H GLU 108 -15.436 0.147 -15.217 832 HA GLU 108 HA GLU 108 -18.080 -0.760 -14.757 833 1HB GLU 108 1HB GLU 108 -17.477 -2.509 -16.449 834 2HB GLU 108 2HB GLU 108 -17.147 -0.879 -17.001 835 1HG GLU 108 1HG GLU 108 -14.829 -1.954 -15.575 836 2HG GLU 108 2HG GLU 108 -15.314 -3.047 -16.857 837 H LYS 109 H LYS 109 -17.496 -1.018 -12.307 838 HA LYS 109 HA LYS 109 -17.490 -3.723 -11.710 839 1HB LYS 109 1HB LYS 109 -14.961 -3.118 -12.411 840 2HB LYS 109 2HB LYS 109 -14.886 -2.669 -10.719 841 1HG LYS 109 1HG LYS 109 -14.498 -4.889 -10.347 842 2HG LYS 109 2HG LYS 109 -16.229 -5.074 -10.548 843 1HD LYS 109 1HD LYS 109 -16.036 -5.956 -12.695 844 2HD LYS 109 2HD LYS 109 -14.586 -5.044 -13.063 845 1HE LYS 109 1HE LYS 109 -13.363 -6.899 -12.605 846 2HE LYS 109 2HE LYS 109 -13.838 -6.753 -10.925 847 1HZ LYS 109 1HZ LYS 109 -14.490 -8.862 -11.703 848 2HZ LYS 109 2HZ LYS 109 -15.865 -7.997 -11.529 849 3HZ LYS 109 3HZ LYS 109 -15.245 -8.254 -13.018 850 H ALA 110 H ALA 110 -15.744 -0.999 -10.073 851 HA ALA 110 HA ALA 110 -16.771 -1.317 -7.605 852 1HB ALA 110 1HB ALA 110 -15.088 0.299 -7.893 853 2HB ALA 110 2HB ALA 110 -15.976 1.133 -9.191 854 3HB ALA 110 3HB ALA 110 -16.524 1.275 -7.503 855 H GLY 111 H GLY 111 -18.261 0.616 -10.292 856 1HA GLY 111 1HA GLY 111 -20.599 0.491 -10.681 857 2HA GLY 111 2HA GLY 111 -20.867 0.225 -8.969 858 H ALA 112 H ALA 112 -18.405 2.584 -9.797 859 HA ALA 112 HA ALA 112 -20.279 4.790 -9.753 860 1HB ALA 112 1HB ALA 112 -19.516 5.765 -7.747 861 2HB ALA 112 2HB ALA 112 -19.690 4.042 -7.334 862 3HB ALA 112 3HB ALA 112 -18.079 4.717 -7.676 863 H GLU 113 H GLU 113 -19.108 6.893 -10.175 864 HA GLU 113 HA GLU 113 -17.522 6.680 -12.353 865 1HB GLU 113 1HB GLU 113 -18.089 8.848 -10.359 866 2HB GLU 113 2HB GLU 113 -16.742 9.114 -11.448 867 1HG GLU 113 1HG GLU 113 -18.150 9.592 -13.160 868 2HG GLU 113 2HG GLU 113 -18.964 8.051 -12.977 869 H SER 114 H SER 114 -15.177 7.460 -12.628 870 HA SER 114 HA SER 114 -13.554 5.808 -11.066 871 1HB SER 114 1HB SER 114 -13.139 6.463 -13.467 872 2HB SER 114 2HB SER 114 -12.728 8.079 -12.928 873 HG SER 114 HG SER 114 -10.962 6.310 -13.252 874 H ALA 115 H ALA 115 -14.054 9.392 -11.235 875 HA ALA 115 HA ALA 115 -12.098 10.137 -9.430 876 1HB ALA 115 1HB ALA 115 -12.930 12.068 -10.233 877 2HB ALA 115 2HB ALA 115 -14.444 11.276 -10.734 878 3HB ALA 115 3HB ALA 115 -14.268 11.890 -9.072 879 H VAL 116 H VAL 116 -15.511 9.075 -8.904 880 HA VAL 116 HA VAL 116 -15.623 9.577 -6.185 881 HB VAL 116 HB VAL 116 -16.948 7.528 -7.958 882 1HG1 VAL 116 1HG1 VAL 116 -18.600 7.816 -5.762 883 2HG1 VAL 116 2HG1 VAL 116 -17.534 6.429 -6.090 884 3HG1 VAL 116 3HG1 VAL 116 -16.978 7.748 -5.032 885 1HG2 VAL 116 1HG2 VAL 116 -18.932 9.079 -7.525 886 2HG2 VAL 116 2HG2 VAL 116 -17.750 10.233 -6.862 887 3HG2 VAL 116 3HG2 VAL 116 -17.630 9.713 -8.561 888 H VAL 117 H VAL 117 -14.705 6.519 -7.922 889 HA VAL 117 HA VAL 117 -14.038 5.131 -5.588 890 HB VAL 117 HB VAL 117 -13.063 4.798 -8.432 891 1HG1 VAL 117 1HG1 VAL 117 -13.288 2.483 -6.570 892 2HG1 VAL 117 2HG1 VAL 117 -12.126 2.795 -7.882 893 3HG1 VAL 117 3HG1 VAL 117 -11.931 3.604 -6.308 894 1HG2 VAL 117 1HG2 VAL 117 -15.168 3.032 -7.300 895 2HG2 VAL 117 2HG2 VAL 117 -15.648 4.709 -7.653 896 3HG2 VAL 117 3HG2 VAL 117 -14.975 3.685 -8.945 897 H HIS 118 H HIS 118 -12.033 7.031 -7.935 898 HA HIS 118 HA HIS 118 -9.582 6.567 -6.883 899 1HB HIS 118 1HB HIS 118 -9.641 7.790 -8.852 900 2HB HIS 118 2HB HIS 118 -10.835 8.923 -8.250 901 HD1 HIS 118 1HD HIS 118 -7.195 8.432 -8.629 902 HD2 HIS 118 2HD HIS 118 -9.742 10.899 -6.388 903 HE1 HIS 118 1HE HIS 118 -5.751 10.348 -7.759 904 H GLU 119 H GLU 119 -11.839 9.248 -5.909 905 HA GLU 119 HA GLU 119 -10.227 10.133 -3.845 906 1HB GLU 119 1HB GLU 119 -13.109 10.456 -4.625 907 2HB GLU 119 2HB GLU 119 -12.668 10.929 -2.996 908 1HG GLU 119 1HG GLU 119 -10.655 12.180 -4.228 909 2HG GLU 119 2HG GLU 119 -11.703 12.068 -5.628 910 H ARG 120 H ARG 120 -13.030 7.834 -3.867 911 HA ARG 120 HA ARG 120 -13.235 7.429 -1.207 912 1HB ARG 120 1HB ARG 120 -13.867 5.889 -3.670 913 2HB ARG 120 2HB ARG 120 -13.668 4.875 -2.254 914 1HG ARG 120 1HG ARG 120 -15.237 6.643 -1.070 915 2HG ARG 120 2HG ARG 120 -15.664 7.116 -2.702 916 1HD ARG 120 1HD ARG 120 -15.718 4.205 -2.479 917 2HD ARG 120 2HD ARG 120 -16.699 4.912 -1.211 918 HE ARG 120 HE ARG 120 -17.309 4.899 -4.040 919 1HH1 ARG 120 2HH2 ARG 120 -17.674 6.831 -1.122 920 2HH1 ARG 120 1HH2 ARG 120 -19.096 7.644 -1.685 921 1HH2 ARG 120 2HH1 ARG 120 -19.185 5.971 -4.783 922 2HH2 ARG 120 1HH1 ARG 120 -19.962 7.151 -3.781 923 H MET 121 H MET 121 -11.289 5.416 -3.546 924 HA MET 121 HA MET 121 -10.091 3.895 -1.558 925 1HB MET 121 1HB MET 121 -10.013 4.210 -4.444 926 2HB MET 121 2HB MET 121 -8.357 4.158 -3.872 927 1HG MET 121 1HG MET 121 -10.283 2.122 -2.754 928 2HG MET 121 2HG MET 121 -9.744 1.908 -4.408 929 1HE MET 121 1HE MET 121 -8.536 0.238 -4.636 930 2HE MET 121 2HE MET 121 -6.867 -0.035 -4.083 931 3HE MET 121 3HE MET 121 -8.234 -0.639 -3.117 932 H ASP 122 H ASP 122 -9.116 6.948 -3.201 933 HA ASP 122 HA ASP 122 -6.539 7.095 -2.402 934 1HB ASP 122 1HB ASP 122 -7.541 8.760 -3.874 935 2HB ASP 122 2HB ASP 122 -8.667 9.266 -2.631 936 H ARG 123 H ARG 123 -9.518 8.307 -0.687 937 HA ARG 123 HA ARG 123 -8.309 9.361 1.493 938 1HB ARG 123 1HB ARG 123 -10.984 7.910 1.221 939 2HB ARG 123 2HB ARG 123 -10.526 8.756 2.686 940 1HG ARG 123 1HG ARG 123 -9.977 10.682 0.782 941 2HG ARG 123 2HG ARG 123 -11.330 9.857 0.034 942 1HD ARG 123 1HD ARG 123 -11.413 10.777 2.941 943 2HD ARG 123 2HD ARG 123 -11.891 11.828 1.622 944 HE ARG 123 HE ARG 123 -13.220 9.267 1.401 945 1HH1 ARG 123 2HH2 ARG 123 -13.294 12.292 3.197 946 2HH1 ARG 123 1HH2 ARG 123 -14.981 12.178 3.569 947 1HH2 ARG 123 2HH1 ARG 123 -15.447 9.116 1.892 948 2HH2 ARG 123 1HH1 ARG 123 -16.214 10.359 2.822 949 H GLY 124 H GLY 124 -9.806 6.039 1.280 950 1HA GLY 124 1HA GLY 124 -8.911 5.078 3.720 951 2HA GLY 124 2HA GLY 124 -9.309 4.109 2.316 952 H TRP 125 H TRP 125 -7.235 5.390 0.568 953 HA TRP 125 HA TRP 125 -5.155 3.612 1.039 954 1HB TRP 125 1HB TRP 125 -5.802 5.736 -0.833 955 2HB TRP 125 2HB TRP 125 -4.090 5.709 -0.460 956 HD1 TRP 125 HD TRP 125 -6.420 4.169 -2.822 957 HE1 TRP 125 1HE TRP 125 -5.489 2.001 -4.004 958 HE3 TRP 125 3HE TRP 125 -2.550 3.442 0.394 959 HZ2 TRP 125 2HZ TRP 125 -3.288 0.264 -3.472 960 HZ3 TRP 125 3HZ TRP 125 -1.057 1.487 -0.008 961 HH2 TRP 125 HH TRP 125 -1.376 -0.073 -1.862 962 H HIS 126 H HIS 126 -5.331 7.214 1.556 963 HA HIS 126 HA HIS 126 -2.860 7.386 2.817 964 1HB HIS 126 1HB HIS 126 -4.531 9.182 1.833 965 2HB HIS 126 2HB HIS 126 -5.102 9.261 3.487 966 HD1 HIS 126 1HD HIS 126 -1.441 8.759 2.588 967 HD2 HIS 126 2HD HIS 126 -3.986 11.740 4.083 968 HE1 HIS 126 1HE HIS 126 0.068 10.667 3.359 969 H ASP 127 H ASP 127 -6.213 7.144 4.187 970 HA ASP 127 HA ASP 127 -5.551 7.263 6.806 971 1HB ASP 127 1HB ASP 127 -7.632 5.440 5.508 972 2HB ASP 127 2HB ASP 127 -7.620 5.898 7.199 973 H LEU 128 H LEU 128 -5.495 4.474 4.510 974 HA LEU 128 HA LEU 128 -4.950 2.493 6.418 975 1HB LEU 128 1HB LEU 128 -5.842 1.929 4.284 976 2HB LEU 128 2HB LEU 128 -4.501 2.679 3.443 977 HG LEU 128 HG LEU 128 -3.012 0.923 4.600 978 1HD1 LEU 128 1HD1 LEU 128 -3.956 -0.445 6.067 979 2HD1 LEU 128 2HD1 LEU 128 -5.571 0.208 5.702 980 3HD1 LEU 128 3HD1 LEU 128 -4.923 -1.146 4.747 981 1HD2 LEU 128 1HD2 LEU 128 -3.591 0.965 2.192 982 2HD2 LEU 128 2HD2 LEU 128 -3.386 -0.682 2.836 983 3HD2 LEU 128 3HD2 LEU 128 -5.019 -0.037 2.543 984 H VAL 129 H VAL 129 -2.804 4.472 4.271 985 HA VAL 129 HA VAL 129 -0.508 3.424 5.725 986 HB VAL 129 HB VAL 129 -0.597 3.504 3.230 987 1HG1 VAL 129 1HG1 VAL 129 0.155 6.277 2.934 988 2HG1 VAL 129 2HG1 VAL 129 -1.132 5.360 2.115 989 3HG1 VAL 129 3HG1 VAL 129 -1.459 6.155 3.674 990 1HG2 VAL 129 1HG2 VAL 129 1.544 4.652 4.937 991 2HG2 VAL 129 2HG2 VAL 129 1.581 3.267 3.821 992 3HG2 VAL 129 3HG2 VAL 129 1.705 4.925 3.186 993 H ASN 130 H ASN 130 -2.348 5.008 7.242 994 HA ASN 130 HA ASN 130 -0.740 7.423 7.549 995 1HB ASN 130 1HB ASN 130 -3.649 7.021 7.372 996 2HB ASN 130 2HB ASN 130 -3.228 7.809 8.880 997 1HD2 ASN 130 1HD2 ASN 130 -1.688 7.928 5.680 998 2HD2 ASN 130 2HD2 ASN 130 -1.842 9.633 5.420 999 H GLU 131 H GLU 131 -3.083 5.221 9.284 1000 HA GLU 131 HA GLU 131 -1.241 5.288 11.542 1001 1HB GLU 131 1HB GLU 131 -3.221 5.208 13.065 1002 2HB GLU 131 2HB GLU 131 -3.154 6.685 12.125 1003 1HG GLU 131 1HG GLU 131 -5.350 6.174 11.672 1004 2HG GLU 131 2HG GLU 131 -4.642 5.175 10.419 1005 H ARG 132 H ARG 132 -3.834 3.551 9.740 1006 HA ARG 132 HA ARG 132 -3.926 1.257 11.133 1007 1HB ARG 132 1HB ARG 132 -3.951 1.612 8.093 1008 2HB ARG 132 2HB ARG 132 -4.482 0.154 8.907 1009 1HG ARG 132 1HG ARG 132 -5.714 2.625 9.996 1010 2HG ARG 132 2HG ARG 132 -6.095 2.344 8.309 1011 1HD ARG 132 1HD ARG 132 -7.718 0.933 9.077 1012 2HD ARG 132 2HD ARG 132 -6.417 -0.201 9.384 1013 HE ARG 132 HE ARG 132 -6.657 0.181 11.681 1014 1HH1 ARG 132 2HH2 ARG 132 -8.228 2.786 9.912 1015 2HH1 ARG 132 1HH2 ARG 132 -8.927 3.497 11.328 1016 1HH2 ARG 132 2HH1 ARG 132 -7.580 1.118 13.549 1017 2HH2 ARG 132 1HH1 ARG 132 -8.556 2.542 13.411 1018 H LEU 133 H LEU 133 -1.385 2.413 8.901 1019 HA LEU 133 HA LEU 133 -0.029 -0.143 8.964 1020 1HB LEU 133 1HB LEU 133 0.153 0.765 6.881 1021 2HB LEU 133 2HB LEU 133 0.227 2.414 7.468 1022 HG LEU 133 HG LEU 133 2.549 2.061 8.211 1023 1HD1 LEU 133 1HD1 LEU 133 3.477 0.059 8.448 1024 2HD1 LEU 133 2HD1 LEU 133 1.902 -0.663 8.041 1025 3HD1 LEU 133 3HD1 LEU 133 3.107 -0.377 6.763 1026 1HD2 LEU 133 1HD2 LEU 133 2.284 1.216 5.322 1027 2HD2 LEU 133 2HD2 LEU 133 1.922 2.863 5.890 1028 3HD2 LEU 133 3HD2 LEU 133 3.562 2.197 6.080 1029 H ARG 134 H ARG 134 0.391 3.236 10.175 1030 HA ARG 134 HA ARG 134 2.847 2.904 11.290 1031 1HB ARG 134 1HB ARG 134 1.586 5.072 11.108 1032 2HB ARG 134 2HB ARG 134 0.510 4.548 12.388 1033 1HG ARG 134 1HG ARG 134 2.902 4.163 13.646 1034 2HG ARG 134 2HG ARG 134 3.364 5.455 12.556 1035 1HD ARG 134 1HD ARG 134 0.809 5.711 14.172 1036 2HD ARG 134 2HD ARG 134 2.351 6.037 14.938 1037 HE ARG 134 HE ARG 134 2.170 7.422 12.403 1038 1HH1 ARG 134 2HH2 ARG 134 1.047 7.558 15.735 1039 2HH1 ARG 134 1HH2 ARG 134 0.819 9.275 15.723 1040 1HH2 ARG 134 2HH1 ARG 134 1.870 9.687 12.386 1041 2HH2 ARG 134 1HH1 ARG 134 1.291 10.494 13.805 1042 H GLN 135 H GLN 135 -0.387 1.923 12.467 1043 HA GLN 135 HA GLN 135 0.314 1.452 15.102 1044 1HB GLN 135 1HB GLN 135 -2.001 1.329 13.619 1045 2HB GLN 135 2HB GLN 135 -1.703 -0.376 13.894 1046 1HG GLN 135 1HG GLN 135 -1.238 0.498 16.411 1047 2HG GLN 135 2HG GLN 135 -2.291 1.799 15.892 1048 1HE2 GLN 135 1HE2 GLN 135 -4.351 1.196 14.878 1049 2HE2 GLN 135 2HE2 GLN 135 -5.211 -0.189 15.464 1050 H ILE 136 H ILE 136 0.891 -0.366 12.123 1051 HA ILE 136 HA ILE 136 1.309 -2.885 13.270 1052 HB ILE 136 HB ILE 136 2.488 -1.671 10.768 1053 1HG1 ILE 136 1HG1 ILE 136 0.082 -1.488 10.713 1054 2HG1 ILE 136 2HG1 ILE 136 0.596 -2.752 9.613 1055 1HG2 ILE 136 1HG2 ILE 136 3.721 -3.640 11.362 1056 2HG2 ILE 136 2HG2 ILE 136 2.222 -4.547 11.676 1057 3HG2 ILE 136 3HG2 ILE 136 2.627 -4.045 10.017 1058 1HD1 ILE 136 1HD1 ILE 136 -0.709 -3.048 12.338 1059 2HD1 ILE 136 2HD1 ILE 136 -1.234 -3.719 10.775 1060 3HD1 ILE 136 3HD1 ILE 136 0.191 -4.395 11.600 1061 H VAL 137 H VAL 137 3.156 0.087 13.319 1062 HA VAL 137 HA VAL 137 5.465 -1.412 14.343 1063 HB VAL 137 HB VAL 137 6.742 0.640 13.801 1064 1HG1 VAL 137 1HG1 VAL 137 6.614 -1.304 12.253 1065 2HG1 VAL 137 2HG1 VAL 137 5.255 -0.513 11.417 1066 3HG1 VAL 137 3HG1 VAL 137 6.866 0.245 11.412 1067 1HG2 VAL 137 1HG2 VAL 137 4.740 2.176 13.892 1068 2HG2 VAL 137 2HG2 VAL 137 5.814 2.414 12.493 1069 3HG2 VAL 137 3HG2 VAL 137 4.272 1.547 12.294 1070 H GLU 138 H GLU 138 2.985 1.050 14.956 1071 HA GLU 138 HA GLU 138 4.255 1.729 17.456 1072 1HB GLU 138 1HB GLU 138 2.182 2.925 15.701 1073 2HB GLU 138 2HB GLU 138 1.838 3.083 17.412 1074 1HG GLU 138 1HG GLU 138 4.667 3.658 16.719 1075 2HG GLU 138 2HG GLU 138 3.527 4.745 15.951 Start of MODEL 13 1 1H MET 1 H MET 1 -1.078 20.103 -13.848 2 HA MET 1 HA MET 1 -3.134 19.860 -12.679 3 1HB MET 1 1HB MET 1 -4.373 21.546 -14.053 4 2HB MET 1 2HB MET 1 -4.302 20.488 -15.448 5 1HG MET 1 1HG MET 1 -5.525 18.735 -13.913 6 2HG MET 1 2HG MET 1 -5.889 20.106 -12.883 7 1HE MET 1 1HE MET 1 -6.695 18.037 -15.749 8 2HE MET 1 2HE MET 1 -7.747 18.971 -16.839 9 3HE MET 1 3HE MET 1 -5.985 19.222 -16.872 10 H THR 2 H THR 2 -3.331 18.882 -16.183 11 HA THR 2 HA THR 2 -3.495 16.874 -17.134 12 HB THR 2 HB THR 2 -1.520 16.220 -14.884 13 HG1 THR 2 1HG THR 2 -0.094 17.101 -16.409 14 1HG2 THR 2 1HG2 THR 2 -0.659 14.512 -16.498 15 2HG2 THR 2 2HG2 THR 2 -2.325 14.132 -15.999 16 3HG2 THR 2 3HG2 THR 2 -2.018 14.869 -17.590 17 H ARG 3 H ARG 3 -4.110 14.487 -16.847 18 HA ARG 3 HA ARG 3 -6.522 14.406 -15.618 19 1HB ARG 3 1HB ARG 3 -6.357 11.910 -15.886 20 2HB ARG 3 2HB ARG 3 -5.845 12.771 -17.324 21 1HG ARG 3 1HG ARG 3 -3.598 12.370 -15.473 22 2HG ARG 3 2HG ARG 3 -4.356 10.845 -15.887 23 1HD ARG 3 1HD ARG 3 -4.222 11.583 -18.355 24 2HD ARG 3 2HD ARG 3 -3.220 12.917 -17.819 25 HE ARG 3 HE ARG 3 -2.223 10.413 -16.762 26 1HH1 ARG 3 2HH2 ARG 3 -2.342 12.344 -19.701 27 2HH1 ARG 3 1HH2 ARG 3 -0.888 11.668 -20.356 28 1HH2 ARG 3 2HH1 ARG 3 -0.305 9.521 -17.626 29 2HH2 ARG 3 1HH1 ARG 3 0.278 10.051 -19.168 30 H LEU 4 H LEU 4 -6.793 12.162 -13.987 31 HA LEU 4 HA LEU 4 -6.099 13.144 -11.487 32 1HB LEU 4 1HB LEU 4 -6.770 10.293 -12.219 33 2HB LEU 4 2HB LEU 4 -6.915 11.038 -10.639 34 HG LEU 4 HG LEU 4 -8.486 11.954 -13.060 35 1HD1 LEU 4 1HD1 LEU 4 -10.404 10.747 -11.857 36 2HD1 LEU 4 2HD1 LEU 4 -9.238 9.759 -12.769 37 3HD1 LEU 4 3HD1 LEU 4 -9.129 9.854 -10.994 38 1HD2 LEU 4 1HD2 LEU 4 -9.750 12.469 -10.541 39 2HD2 LEU 4 2HD2 LEU 4 -8.083 13.092 -10.496 40 3HD2 LEU 4 3HD2 LEU 4 -9.195 13.619 -11.781 41 HA PRO 5 HA PRO 5 -1.909 11.917 -11.451 42 1HB PRO 5 1HB PRO 5 -1.220 13.135 -9.104 43 2HB PRO 5 2HB PRO 5 -1.218 13.962 -10.649 44 1HG PRO 5 1HG PRO 5 -3.165 14.176 -8.435 45 2HG PRO 5 2HG PRO 5 -2.903 15.273 -9.776 46 1HD PRO 5 1HD PRO 5 -5.045 13.386 -9.496 47 2HD PRO 5 2HD PRO 5 -4.717 14.401 -10.887 48 H ASP 6 H ASP 6 -0.697 10.219 -10.719 49 HA ASP 6 HA ASP 6 -1.917 8.156 -9.627 50 1HB ASP 6 1HB ASP 6 0.899 8.934 -8.760 51 2HB ASP 6 2HB ASP 6 0.263 7.312 -8.946 52 H ILE 7 H ILE 7 -2.353 7.336 -7.474 53 HA ILE 7 HA ILE 7 -2.758 9.351 -5.508 54 HB ILE 7 HB ILE 7 -3.100 6.352 -5.466 55 1HG1 ILE 7 1HG1 ILE 7 -5.032 8.638 -5.932 56 2HG1 ILE 7 2HG1 ILE 7 -4.561 7.395 -7.074 57 1HG2 ILE 7 1HG2 ILE 7 -3.641 6.404 -3.309 58 2HG2 ILE 7 2HG2 ILE 7 -2.899 8.022 -3.254 59 3HG2 ILE 7 3HG2 ILE 7 -4.652 7.855 -3.516 60 1HD1 ILE 7 1HD1 ILE 7 -6.486 6.381 -6.338 61 2HD1 ILE 7 2HD1 ILE 7 -5.432 5.815 -5.020 62 3HD1 ILE 7 3HD1 ILE 7 -6.466 7.244 -4.782 63 H LYS 8 H LYS 8 -0.389 10.033 -5.560 64 HA LYS 8 HA LYS 8 1.387 8.217 -4.184 65 1HB LYS 8 1HB LYS 8 2.295 9.471 -6.024 66 2HB LYS 8 2HB LYS 8 1.737 10.990 -5.351 67 1HG LYS 8 1HG LYS 8 3.277 10.829 -3.476 68 2HG LYS 8 2HG LYS 8 3.678 9.167 -3.864 69 1HD LYS 8 1HD LYS 8 5.324 9.849 -5.264 70 2HD LYS 8 2HD LYS 8 4.177 10.772 -6.214 71 1HE LYS 8 1HE LYS 8 4.367 12.558 -4.280 72 2HE LYS 8 2HE LYS 8 5.829 11.698 -3.841 73 1HZ LYS 8 1HZ LYS 8 5.257 13.182 -6.272 74 2HZ LYS 8 2HZ LYS 8 6.594 13.208 -5.335 75 3HZ LYS 8 3HZ LYS 8 6.329 11.952 -6.344 76 H LYS 9 H LYS 9 1.532 8.078 -2.015 77 HA LYS 9 HA LYS 9 0.835 10.480 -0.486 78 1HB LYS 9 1HB LYS 9 -0.521 7.899 -0.491 79 2HB LYS 9 2HB LYS 9 0.076 8.309 1.104 80 1HG LYS 9 1HG LYS 9 -1.899 9.489 1.221 81 2HG LYS 9 2HG LYS 9 -0.946 10.730 0.433 82 1HD LYS 9 1HD LYS 9 -1.748 9.351 -1.775 83 2HD LYS 9 2HD LYS 9 -3.085 8.962 -0.712 84 1HE LYS 9 1HE LYS 9 -3.528 11.029 -2.043 85 2HE LYS 9 2HE LYS 9 -3.545 11.348 -0.320 86 1HZ LYS 9 1HZ LYS 9 -2.099 12.715 -2.053 87 2HZ LYS 9 2HZ LYS 9 -1.707 12.579 -0.474 88 3HZ LYS 9 3HZ LYS 9 -0.981 11.622 -1.581 89 H GLU 10 H GLU 10 1.762 10.385 1.789 90 HA GLU 10 HA GLU 10 3.990 8.593 2.041 91 1HB GLU 10 1HB GLU 10 4.849 10.578 0.724 92 2HB GLU 10 2HB GLU 10 4.443 11.608 2.082 93 1HG GLU 10 1HG GLU 10 6.088 9.192 2.734 94 2HG GLU 10 2HG GLU 10 6.886 10.413 1.763 95 H VAL 11 H VAL 11 4.744 8.413 4.247 96 HA VAL 11 HA VAL 11 3.431 10.091 6.213 97 HB VAL 11 HB VAL 11 2.795 7.932 7.456 98 1HG1 VAL 11 1HG1 VAL 11 1.002 8.241 5.096 99 2HG1 VAL 11 2HG1 VAL 11 0.630 8.280 6.837 100 3HG1 VAL 11 3HG1 VAL 11 1.348 9.705 6.048 101 1HG2 VAL 11 1HG2 VAL 11 3.920 6.325 6.023 102 2HG2 VAL 11 2HG2 VAL 11 2.164 6.042 5.976 103 3HG2 VAL 11 3HG2 VAL 11 2.969 6.865 4.618 104 H ARG 12 H ARG 12 4.447 9.890 8.355 105 HA ARG 12 HA ARG 12 7.037 8.580 8.160 106 1HB ARG 12 1HB ARG 12 7.372 11.013 7.931 107 2HB ARG 12 2HB ARG 12 6.395 11.323 9.353 108 1HG ARG 12 1HG ARG 12 8.333 9.504 10.274 109 2HG ARG 12 2HG ARG 12 9.228 10.527 9.169 110 1HD ARG 12 1HD ARG 12 8.757 12.505 10.404 111 2HD ARG 12 2HD ARG 12 7.367 11.795 11.202 112 HE ARG 12 HE ARG 12 9.804 10.355 11.858 113 1HH1 ARG 12 2HH2 ARG 12 7.954 13.249 12.624 114 2HH1 ARG 12 1HH2 ARG 12 8.607 13.398 14.221 115 1HH2 ARG 12 2HH1 ARG 12 10.665 10.551 13.965 116 2HH2 ARG 12 1HH1 ARG 12 10.160 11.853 14.989 117 H PHE 13 H PHE 13 7.208 7.015 9.733 118 HA PHE 13 HA PHE 13 5.711 7.479 12.217 119 1HB PHE 13 1HB PHE 13 6.531 4.834 10.879 120 2HB PHE 13 2HB PHE 13 5.440 5.002 12.241 121 HD1 PHE 13 1HD PHE 13 5.121 3.747 9.341 122 HD2 PHE 13 2HD PHE 13 3.811 7.333 11.192 123 HE1 PHE 13 1HE PHE 13 3.169 3.847 7.766 124 HE2 PHE 13 2HE PHE 13 1.859 7.433 9.617 125 HZ PHE 13 HZ PHE 13 1.562 5.689 7.923 126 H ASN 14 H ASN 14 6.704 6.776 14.202 127 HA ASN 14 HA ASN 14 9.552 6.942 14.041 128 1HB ASN 14 1HB ASN 14 7.545 7.599 15.965 129 2HB ASN 14 2HB ASN 14 8.496 6.329 16.709 130 1HD2 ASN 14 1HD2 ASN 14 8.567 8.691 17.882 131 2HD2 ASN 14 2HD2 ASN 14 10.065 9.524 17.633 132 H ALA 15 H ALA 15 10.715 5.041 13.694 133 HA ALA 15 HA ALA 15 10.749 2.908 15.366 134 1HB ALA 15 1HB ALA 15 9.493 1.322 13.518 135 2HB ALA 15 2HB ALA 15 8.726 1.935 15.003 136 3HB ALA 15 3HB ALA 15 8.482 2.786 13.458 137 HA PRO 16 HA PRO 16 13.940 1.926 12.616 138 1HB PRO 16 1HB PRO 16 14.320 -0.759 12.948 139 2HB PRO 16 2HB PRO 16 14.910 0.439 14.082 140 1HG PRO 16 1HG PRO 16 12.600 -1.387 14.349 141 2HG PRO 16 2HG PRO 16 13.453 -0.505 15.600 142 1HD PRO 16 1HD PRO 16 10.901 0.156 14.470 143 2HD PRO 16 2HD PRO 16 11.806 1.099 15.637 144 H ILE 17 H ILE 17 14.232 1.871 10.472 145 HA ILE 17 HA ILE 17 12.105 1.161 8.860 146 HB ILE 17 HB ILE 17 13.892 2.683 8.225 147 1HG1 ILE 17 1HG1 ILE 17 13.865 0.385 6.263 148 2HG1 ILE 17 2HG1 ILE 17 12.450 1.377 6.553 149 1HG2 ILE 17 1HG2 ILE 17 16.090 1.923 7.577 150 2HG2 ILE 17 2HG2 ILE 17 15.764 1.434 9.257 151 3HG2 ILE 17 3HG2 ILE 17 15.657 0.236 7.945 152 1HD1 ILE 17 1HD1 ILE 17 15.168 2.300 5.531 153 2HD1 ILE 17 2HD1 ILE 17 13.610 2.347 4.671 154 3HD1 ILE 17 3HD1 ILE 17 13.896 3.428 6.057 155 H GLU 18 H GLU 18 14.634 -0.796 10.353 156 HA GLU 18 HA GLU 18 14.499 -2.948 8.605 157 1HB GLU 18 1HB GLU 18 15.942 -2.270 10.901 158 2HB GLU 18 2HB GLU 18 15.013 -3.662 11.422 159 1HG GLU 18 1HG GLU 18 15.936 -4.357 8.837 160 2HG GLU 18 2HG GLU 18 17.296 -3.539 9.581 161 H LYS 19 H LYS 19 12.336 -1.785 11.119 162 HA LYS 19 HA LYS 19 10.987 -4.340 11.328 163 1HB LYS 19 1HB LYS 19 11.451 -2.580 13.218 164 2HB LYS 19 2HB LYS 19 10.029 -1.780 12.580 165 1HG LYS 19 1HG LYS 19 8.761 -3.966 12.799 166 2HG LYS 19 2HG LYS 19 10.176 -4.670 13.557 167 1HD LYS 19 1HD LYS 19 9.882 -3.501 15.534 168 2HD LYS 19 2HD LYS 19 9.254 -2.077 14.728 169 1HE LYS 19 1HE LYS 19 7.225 -2.767 15.531 170 2HE LYS 19 2HE LYS 19 7.245 -3.886 14.184 171 1HZ LYS 19 1HZ LYS 19 7.252 -4.509 16.850 172 2HZ LYS 19 2HZ LYS 19 7.399 -5.547 15.598 173 3HZ LYS 19 3HZ LYS 19 8.734 -4.933 16.311 174 H VAL 20 H VAL 20 10.255 -0.953 10.245 175 HA VAL 20 HA VAL 20 7.720 -1.533 9.262 176 HB VAL 20 HB VAL 20 9.721 0.551 8.365 177 1HG1 VAL 20 1HG1 VAL 20 7.177 1.628 8.147 178 2HG1 VAL 20 2HG1 VAL 20 8.177 1.019 6.806 179 3HG1 VAL 20 3HG1 VAL 20 6.965 -0.041 7.565 180 1HG2 VAL 20 1HG2 VAL 20 8.890 0.282 10.896 181 2HG2 VAL 20 2HG2 VAL 20 9.138 1.871 10.134 182 3HG2 VAL 20 3HG2 VAL 20 7.499 1.187 10.253 183 H TRP 21 H TRP 21 10.988 -1.957 7.887 184 HA TRP 21 HA TRP 21 10.195 -2.350 5.230 185 1HB TRP 21 1HB TRP 21 12.477 -1.862 5.831 186 2HB TRP 21 2HB TRP 21 12.596 -3.331 6.780 187 HD1 TRP 21 HD TRP 21 14.045 -5.051 5.468 188 HE1 TRP 21 1HE TRP 21 14.384 -5.879 2.985 189 HE3 TRP 21 3HE TRP 21 10.719 -1.820 3.380 190 HZ2 TRP 21 2HZ TRP 21 13.249 -5.107 0.483 191 HZ3 TRP 21 3HZ TRP 21 10.394 -1.923 0.911 192 HH2 TRP 21 HH TRP 21 11.594 -3.494 -0.526 193 H GLU 22 H GLU 22 10.800 -4.631 7.993 194 HA GLU 22 HA GLU 22 10.168 -6.912 6.558 195 1HB GLU 22 1HB GLU 22 11.024 -6.281 9.160 196 2HB GLU 22 2HB GLU 22 9.481 -7.072 9.412 197 1HG GLU 22 1HG GLU 22 10.501 -8.782 7.573 198 2HG GLU 22 2HG GLU 22 12.013 -8.176 8.220 199 H ALA 23 H ALA 23 8.170 -4.443 8.122 200 HA ALA 23 HA ALA 23 5.816 -6.003 8.307 201 1HB ALA 23 1HB ALA 23 6.474 -3.047 8.372 202 2HB ALA 23 2HB ALA 23 4.793 -3.626 8.445 203 3HB ALA 23 3HB ALA 23 5.955 -4.104 9.706 204 H VAL 24 H VAL 24 7.497 -4.315 5.713 205 HA VAL 24 HA VAL 24 5.126 -4.648 4.014 206 HB VAL 24 HB VAL 24 6.104 -2.974 2.579 207 1HG1 VAL 24 1HG1 VAL 24 4.916 -1.623 3.914 208 2HG1 VAL 24 2HG1 VAL 24 5.436 -2.483 5.383 209 3HG1 VAL 24 3HG1 VAL 24 6.461 -1.204 4.690 210 1HG2 VAL 24 1HG2 VAL 24 8.212 -2.062 2.768 211 2HG2 VAL 24 2HG2 VAL 24 8.325 -2.400 4.511 212 3HG2 VAL 24 3HG2 VAL 24 8.524 -3.720 3.334 213 H SER 25 H SER 25 7.463 -6.543 5.011 214 HA SER 25 HA SER 25 8.234 -7.357 2.318 215 1HB SER 25 1HB SER 25 10.319 -8.005 3.098 216 2HB SER 25 2HB SER 25 9.995 -6.673 4.189 217 HG SER 25 HG SER 25 9.022 -8.409 5.646 218 H THR 26 H THR 26 6.911 -8.301 5.501 219 HA THR 26 HA THR 26 6.545 -11.049 4.565 220 HB THR 26 HB THR 26 5.874 -11.356 7.008 221 HG1 THR 26 1HG THR 26 6.351 -9.381 8.294 222 1HG2 THR 26 1HG2 THR 26 8.074 -11.417 7.776 223 2HG2 THR 26 2HG2 THR 26 8.417 -11.213 6.041 224 3HG2 THR 26 3HG2 THR 26 8.448 -9.803 7.126 225 H SER 27 H SER 27 4.395 -12.097 5.021 226 HA SER 27 HA SER 27 2.422 -10.417 3.828 227 1HB SER 27 1HB SER 27 2.132 -13.290 4.804 228 2HB SER 27 2HB SER 27 1.088 -12.462 3.666 229 HG SER 27 HG SER 27 3.754 -12.387 2.869 230 H GLU 28 H GLU 28 2.811 -12.313 6.903 231 HA GLU 28 HA GLU 28 0.418 -11.685 8.030 232 1HB GLU 28 1HB GLU 28 2.802 -12.956 8.820 233 2HB GLU 28 2HB GLU 28 2.599 -11.674 9.997 234 1HG GLU 28 1HG GLU 28 0.076 -13.108 9.382 235 2HG GLU 28 2HG GLU 28 1.313 -14.146 10.062 236 H GLY 29 H GLY 29 3.477 -9.788 7.956 237 1HA GLY 29 1HA GLY 29 2.583 -7.747 9.725 238 2HA GLY 29 2HA GLY 29 3.959 -7.694 8.642 239 H LEU 30 H LEU 30 2.431 -8.306 6.176 240 HA LEU 30 HA LEU 30 1.593 -5.639 5.618 241 1HB LEU 30 1HB LEU 30 2.223 -8.089 4.156 242 2HB LEU 30 2HB LEU 30 0.868 -7.216 3.467 243 HG LEU 30 HG LEU 30 3.064 -5.413 4.100 244 1HD1 LEU 30 1HD1 LEU 30 4.365 -6.419 2.005 245 2HD1 LEU 30 2HD1 LEU 30 4.725 -6.907 3.678 246 3HD1 LEU 30 3HD1 LEU 30 3.699 -7.938 2.651 247 1HD2 LEU 30 1HD2 LEU 30 0.960 -5.354 2.447 248 2HD2 LEU 30 2HD2 LEU 30 2.437 -4.400 2.171 249 3HD2 LEU 30 3HD2 LEU 30 2.195 -5.936 1.305 250 H ALA 31 H ALA 31 -0.089 -8.864 5.527 251 HA ALA 31 HA ALA 31 -2.616 -7.912 5.056 252 1HB ALA 31 1HB ALA 31 -1.984 -10.243 6.893 253 2HB ALA 31 2HB ALA 31 -3.352 -10.059 5.770 254 3HB ALA 31 3HB ALA 31 -1.709 -10.316 5.136 255 H PHE 32 H PHE 32 -0.602 -7.568 7.894 256 HA PHE 32 HA PHE 32 -2.574 -7.349 9.846 257 1HB PHE 32 1HB PHE 32 0.211 -7.193 9.588 258 2HB PHE 32 2HB PHE 32 -0.190 -5.522 9.933 259 HD1 PHE 32 1HD PHE 32 -1.756 -5.145 12.006 260 HD2 PHE 32 2HD PHE 32 0.527 -8.662 11.351 261 HE1 PHE 32 1HE PHE 32 -1.876 -5.680 14.456 262 HE2 PHE 32 2HE PHE 32 0.407 -9.196 13.800 263 HZ PHE 32 HZ PHE 32 -0.793 -7.699 15.323 264 H TRP 33 H TRP 33 -1.785 -5.283 7.156 265 HA TRP 33 HA TRP 33 -3.637 -3.291 8.224 266 1HB TRP 33 1HB TRP 33 -2.216 -1.462 7.470 267 2HB TRP 33 2HB TRP 33 -1.468 -2.393 8.752 268 HD1 TRP 33 HD TRP 33 0.671 -3.990 7.989 269 HE1 TRP 33 1HE TRP 33 2.431 -3.831 6.029 270 HE3 TRP 33 3HE TRP 33 -2.020 -0.757 5.132 271 HZ2 TRP 33 2HZ TRP 33 2.498 -2.403 3.559 272 HZ3 TRP 33 3HZ TRP 33 -1.035 -0.030 2.960 273 HH2 TRP 33 HH TRP 33 1.143 -0.800 2.162 274 H PHE 34 H PHE 34 -1.613 -4.440 5.434 275 HA PHE 34 HA PHE 34 -3.295 -3.292 3.489 276 1HB PHE 34 1HB PHE 34 -0.972 -3.877 2.994 277 2HB PHE 34 2HB PHE 34 -1.175 -5.499 3.626 278 HD1 PHE 34 1HD PHE 34 -0.849 -7.020 1.928 279 HD2 PHE 34 2HD PHE 34 -3.115 -3.525 1.114 280 HE1 PHE 34 1HE PHE 34 -1.319 -7.864 -0.388 281 HE2 PHE 34 2HE PHE 34 -3.585 -4.370 -1.203 282 HZ PHE 34 HZ PHE 34 -2.681 -6.529 -1.926 283 H MET 35 H MET 35 -2.608 -6.807 3.460 284 HA MET 35 HA MET 35 -5.149 -7.636 4.192 285 1HB MET 35 1HB MET 35 -4.764 -6.792 1.355 286 2HB MET 35 2HB MET 35 -5.419 -8.410 1.511 287 1HG MET 35 1HG MET 35 -7.463 -7.594 2.080 288 2HG MET 35 2HG MET 35 -6.777 -6.660 3.395 289 1HE MET 35 1HE MET 35 -7.702 -6.353 -0.636 290 2HE MET 35 2HE MET 35 -6.362 -5.215 -0.916 291 3HE MET 35 3HE MET 35 -6.031 -6.835 -0.256 292 H GLU 36 H GLU 36 -5.480 -10.025 3.713 293 HA GLU 36 HA GLU 36 -3.230 -11.428 4.301 294 1HB GLU 36 1HB GLU 36 -5.872 -12.241 3.050 295 2HB GLU 36 2HB GLU 36 -4.630 -13.435 3.372 296 1HG GLU 36 1HG GLU 36 -4.882 -11.783 5.724 297 2HG GLU 36 2HG GLU 36 -6.497 -12.249 5.228 298 H ASN 37 H ASN 37 -1.624 -12.529 3.143 299 HA ASN 37 HA ASN 37 -1.890 -12.891 0.352 300 1HB ASN 37 1HB ASN 37 0.069 -11.479 -0.302 301 2HB ASN 37 2HB ASN 37 -1.229 -10.497 0.347 302 1HD2 ASN 37 1HD2 ASN 37 -1.142 -10.371 2.863 303 2HD2 ASN 37 2HD2 ASN 37 0.388 -9.922 3.539 304 H ASP 38 H ASP 38 0.717 -13.409 -0.399 305 HA ASP 38 HA ASP 38 1.776 -15.022 1.784 306 1HB ASP 38 1HB ASP 38 0.758 -15.871 -0.793 307 2HB ASP 38 2HB ASP 38 2.482 -16.182 -0.755 308 H LEU 39 H LEU 39 2.300 -12.271 0.297 309 HA LEU 39 HA LEU 39 4.575 -12.419 -1.236 310 1HB LEU 39 1HB LEU 39 3.143 -10.446 -0.931 311 2HB LEU 39 2HB LEU 39 3.745 -10.256 0.704 312 HG LEU 39 HG LEU 39 5.977 -10.361 -1.114 313 1HD1 LEU 39 1HD1 LEU 39 5.493 -8.224 -2.333 314 2HD1 LEU 39 2HD1 LEU 39 4.553 -9.632 -2.884 315 3HD1 LEU 39 3HD1 LEU 39 3.790 -8.403 -1.848 316 1HD2 LEU 39 1HD2 LEU 39 6.290 -9.363 0.978 317 2HD2 LEU 39 2HD2 LEU 39 6.275 -7.997 -0.163 318 3HD2 LEU 39 3HD2 LEU 39 4.834 -8.351 0.821 319 H LYS 40 H LYS 40 6.844 -12.099 -0.760 320 HA LYS 40 HA LYS 40 7.623 -12.464 2.008 321 1HB LYS 40 1HB LYS 40 7.409 -14.687 0.279 322 2HB LYS 40 2HB LYS 40 9.122 -14.333 0.388 323 1HG LYS 40 1HG LYS 40 9.002 -14.356 2.865 324 2HG LYS 40 2HG LYS 40 7.269 -14.609 2.802 325 1HD LYS 40 1HD LYS 40 8.046 -16.803 3.097 326 2HD LYS 40 2HD LYS 40 7.866 -16.732 1.356 327 1HE LYS 40 1HE LYS 40 10.220 -16.461 0.999 328 2HE LYS 40 2HE LYS 40 10.509 -15.994 2.663 329 1HZ LYS 40 1HZ LYS 40 11.046 -18.350 1.977 330 2HZ LYS 40 2HZ LYS 40 10.222 -18.157 3.374 331 3HZ LYS 40 3HZ LYS 40 9.439 -18.638 2.024 332 H ALA 41 H ALA 41 7.697 -10.300 -0.025 333 HA ALA 41 HA ALA 41 9.116 -8.883 -0.985 334 1HB ALA 41 1HB ALA 41 10.367 -9.723 1.605 335 2HB ALA 41 2HB ALA 41 11.339 -8.714 0.506 336 3HB ALA 41 3HB ALA 41 9.763 -8.129 1.093 337 H GLU 42 H GLU 42 9.156 -10.687 -2.749 338 HA GLU 42 HA GLU 42 11.945 -11.098 -3.326 339 1HB GLU 42 1HB GLU 42 10.464 -13.211 -2.247 340 2HB GLU 42 2HB GLU 42 10.377 -13.514 -3.971 341 1HG GLU 42 1HG GLU 42 12.761 -13.622 -4.196 342 2HG GLU 42 2HG GLU 42 13.031 -12.841 -2.651 343 H THR 43 H THR 43 12.336 -10.587 -5.449 344 HA THR 43 HA THR 43 10.140 -9.818 -7.094 345 HB THR 43 HB THR 43 12.670 -8.960 -6.863 346 HG1 THR 43 1HG THR 43 12.297 -8.360 -9.249 347 1HG2 THR 43 1HG2 THR 43 14.191 -9.854 -8.428 348 2HG2 THR 43 2HG2 THR 43 13.398 -11.340 -7.850 349 3HG2 THR 43 3HG2 THR 43 12.901 -10.608 -9.395 350 H GLY 44 H GLY 44 9.296 -10.741 -8.954 351 1HA GLY 44 1HA GLY 44 8.775 -12.377 -10.410 352 2HA GLY 44 2HA GLY 44 10.350 -13.091 -10.129 353 H HIS 45 H HIS 45 8.269 -12.467 -7.341 354 HA HIS 45 HA HIS 45 8.161 -15.300 -6.858 355 1HB HIS 45 1HB HIS 45 8.719 -13.521 -5.133 356 2HB HIS 45 2HB HIS 45 7.028 -13.061 -5.166 357 HD1 HIS 45 1HD HIS 45 8.056 -16.699 -5.366 358 HD2 HIS 45 2HD HIS 45 6.532 -13.978 -2.561 359 HE1 HIS 45 1HE HIS 45 7.340 -18.082 -3.345 360 H HIS 46 H HIS 46 5.955 -16.165 -5.932 361 HA HIS 46 HA HIS 46 3.769 -15.055 -7.519 362 1HB HIS 46 1HB HIS 46 3.070 -17.474 -7.942 363 2HB HIS 46 2HB HIS 46 4.397 -16.831 -8.889 364 HD1 HIS 46 1HD HIS 46 3.492 -19.695 -6.872 365 HD2 HIS 46 2HD HIS 46 7.053 -17.637 -7.701 366 HE1 HIS 46 1HE HIS 46 5.394 -21.282 -6.259 367 H PHE 47 H PHE 47 2.280 -14.373 -6.065 368 HA PHE 47 HA PHE 47 1.569 -16.229 -3.938 369 1HB PHE 47 1HB PHE 47 1.694 -14.357 -2.300 370 2HB PHE 47 2HB PHE 47 3.255 -14.537 -3.075 371 HD1 PHE 47 1HD PHE 47 3.638 -13.025 -5.192 372 HD2 PHE 47 2HD PHE 47 0.725 -12.256 -2.203 373 HE1 PHE 47 1HE PHE 47 3.581 -10.609 -5.869 374 HE2 PHE 47 2HE PHE 47 0.668 -9.840 -2.881 375 HZ PHE 47 HZ PHE 47 2.096 -9.045 -4.706 376 H HIS 48 H HIS 48 -0.611 -15.989 -3.182 377 HA HIS 48 HA HIS 48 -2.237 -14.460 -5.057 378 1HB HIS 48 1HB HIS 48 -2.666 -16.920 -3.402 379 2HB HIS 48 2HB HIS 48 -4.057 -15.935 -3.812 380 HD1 HIS 48 1HD HIS 48 -1.040 -16.943 -5.968 381 HD2 HIS 48 2HD HIS 48 -5.226 -17.216 -5.918 382 HE1 HIS 48 1HE HIS 48 -1.711 -18.048 -8.168 383 H LEU 49 H LEU 49 -4.396 -13.619 -3.972 384 HA LEU 49 HA LEU 49 -3.753 -12.515 -1.337 385 1HB LEU 49 1HB LEU 49 -3.211 -10.925 -3.223 386 2HB LEU 49 2HB LEU 49 -4.924 -10.891 -3.594 387 HG LEU 49 HG LEU 49 -4.961 -10.302 -0.922 388 1HD1 LEU 49 1HD1 LEU 49 -3.170 -9.120 -0.186 389 2HD1 LEU 49 2HD1 LEU 49 -2.318 -10.198 -1.318 390 3HD1 LEU 49 3HD1 LEU 49 -2.736 -8.540 -1.811 391 1HD2 LEU 49 1HD2 LEU 49 -4.926 -8.585 -3.392 392 2HD2 LEU 49 2HD2 LEU 49 -6.293 -9.045 -2.348 393 3HD2 LEU 49 3HD2 LEU 49 -5.094 -7.861 -1.774 394 H GLN 50 H GLN 50 -5.430 -12.602 0.104 395 HA GLN 50 HA GLN 50 -7.896 -13.682 -0.990 396 1HB GLN 50 1HB GLN 50 -6.698 -13.732 1.809 397 2HB GLN 50 2HB GLN 50 -8.337 -14.256 1.478 398 1HG GLN 50 1HG GLN 50 -6.482 -15.465 -0.434 399 2HG GLN 50 2HG GLN 50 -5.956 -15.785 1.206 400 1HE2 GLN 50 1HE2 GLN 50 -7.969 -16.713 -1.281 401 2HE2 GLN 50 2HE2 GLN 50 -9.054 -17.766 -0.437 402 H SER 51 H SER 51 -8.478 -11.462 -1.771 403 HA SER 51 HA SER 51 -8.914 -9.487 0.229 404 1HB SER 51 1HB SER 51 -9.175 -8.047 -1.533 405 2HB SER 51 2HB SER 51 -8.426 -9.348 -2.437 406 HG SER 51 HG SER 51 -10.462 -10.051 -3.164 407 HA PRO 52 HA PRO 52 -13.103 -10.354 1.034 408 1HB PRO 52 1HB PRO 52 -14.255 -7.895 1.335 409 2HB PRO 52 2HB PRO 52 -13.284 -8.657 2.579 410 1HG PRO 52 1HG PRO 52 -12.567 -6.427 0.776 411 2HG PRO 52 2HG PRO 52 -11.803 -6.916 2.275 412 1HD PRO 52 1HD PRO 52 -10.839 -7.407 -0.381 413 2HD PRO 52 2HD PRO 52 -10.138 -7.995 1.113 414 H PHE 53 H PHE 53 -12.348 -8.604 -1.769 415 HA PHE 53 HA PHE 53 -15.043 -9.153 -2.787 416 1HB PHE 53 1HB PHE 53 -13.576 -6.816 -2.723 417 2HB PHE 53 2HB PHE 53 -12.977 -7.476 -4.232 418 HD1 PHE 53 1HD PHE 53 -14.973 -8.413 -5.804 419 HD2 PHE 53 2HD PHE 53 -15.356 -5.370 -2.871 420 HE1 PHE 53 1HE PHE 53 -16.992 -7.518 -6.997 421 HE2 PHE 53 2HE PHE 53 -17.375 -4.475 -4.064 422 HZ PHE 53 HZ PHE 53 -18.169 -5.560 -6.112 423 H GLY 54 H GLY 54 -13.729 -11.461 -2.694 424 1HA GLY 54 1HA GLY 54 -13.282 -13.181 -4.112 425 2HA GLY 54 2HA GLY 54 -13.247 -12.071 -5.467 426 HA PRO 55 HA PRO 55 -8.947 -13.029 -3.790 427 1HB PRO 55 1HB PRO 55 -8.350 -15.563 -4.621 428 2HB PRO 55 2HB PRO 55 -8.865 -15.186 -2.989 429 1HG PRO 55 1HG PRO 55 -10.402 -16.457 -5.171 430 2HG PRO 55 2HG PRO 55 -10.734 -16.457 -3.450 431 1HD PRO 55 1HD PRO 55 -12.050 -14.879 -5.452 432 2HD PRO 55 2HD PRO 55 -12.300 -14.795 -3.720 433 H SER 56 H SER 56 -7.094 -12.510 -4.911 434 HA SER 56 HA SER 56 -7.325 -12.963 -7.763 435 1HB SER 56 1HB SER 56 -7.475 -10.360 -6.412 436 2HB SER 56 2HB SER 56 -6.148 -10.412 -7.555 437 HG SER 56 HG SER 56 -8.724 -10.029 -8.113 438 HA PRO 57 HA PRO 57 -3.108 -13.893 -7.195 439 1HB PRO 57 1HB PRO 57 -2.227 -13.878 -9.782 440 2HB PRO 57 2HB PRO 57 -3.076 -15.234 -9.067 441 1HG PRO 57 1HG PRO 57 -4.080 -13.225 -10.988 442 2HG PRO 57 2HG PRO 57 -4.747 -14.797 -10.594 443 1HD PRO 57 1HD PRO 57 -5.718 -12.249 -9.705 444 2HD PRO 57 2HD PRO 57 -6.312 -13.824 -9.220 445 H CYS 58 H CYS 58 -0.964 -13.105 -7.052 446 HA CYS 58 HA CYS 58 -0.720 -10.377 -8.035 447 1HB CYS 58 1HB CYS 58 -0.285 -11.188 -5.143 448 2HB CYS 58 2HB CYS 58 0.276 -9.678 -5.834 449 HG CYS 58 HG CYS 58 -2.708 -10.824 -5.181 450 H GLN 59 H GLN 59 1.592 -9.729 -8.210 451 HA GLN 59 HA GLN 59 3.506 -11.804 -7.705 452 1HB GLN 59 1HB GLN 59 2.865 -12.530 -9.893 453 2HB GLN 59 2HB GLN 59 2.771 -10.891 -10.506 454 1HG GLN 59 1HG GLN 59 5.038 -10.749 -10.873 455 2HG GLN 59 2HG GLN 59 5.439 -11.620 -9.407 456 1HE2 GLN 59 1HE2 GLN 59 5.251 -11.731 -12.743 457 2HE2 GLN 59 2HE2 GLN 59 5.433 -13.432 -13.011 458 H VAL 60 H VAL 60 5.482 -10.917 -7.139 459 HA VAL 60 HA VAL 60 5.610 -8.081 -6.931 460 HB VAL 60 HB VAL 60 7.758 -10.152 -6.447 461 1HG1 VAL 60 1HG1 VAL 60 8.071 -8.167 -4.577 462 2HG1 VAL 60 2HG1 VAL 60 8.976 -8.289 -6.106 463 3HG1 VAL 60 3HG1 VAL 60 7.536 -7.247 -6.004 464 1HG2 VAL 60 1HG2 VAL 60 6.615 -9.394 -3.994 465 2HG2 VAL 60 2HG2 VAL 60 5.240 -9.722 -5.076 466 3HG2 VAL 60 3HG2 VAL 60 6.480 -10.970 -4.809 467 H THR 61 H THR 61 6.855 -6.607 -8.103 468 HA THR 61 HA THR 61 8.010 -7.710 -10.578 469 HB THR 61 HB THR 61 7.270 -5.701 -11.648 470 HG1 THR 61 1HG THR 61 7.657 -3.944 -10.358 471 1HG2 THR 61 1HG2 THR 61 4.925 -5.414 -11.078 472 2HG2 THR 61 2HG2 THR 61 5.297 -7.133 -10.805 473 3HG2 THR 61 3HG2 THR 61 5.194 -6.014 -9.424 474 H ASP 62 H ASP 62 8.552 -5.689 -7.704 475 HA ASP 62 HA ASP 62 11.353 -5.899 -8.237 476 1HB ASP 62 1HB ASP 62 9.859 -3.440 -8.750 477 2HB ASP 62 2HB ASP 62 11.014 -3.175 -7.459 478 H VAL 63 H VAL 63 12.424 -6.092 -6.227 479 HA VAL 63 HA VAL 63 11.436 -4.809 -3.890 480 HB VAL 63 HB VAL 63 9.794 -6.517 -3.884 481 1HG1 VAL 63 1HG1 VAL 63 11.142 -7.996 -5.510 482 2HG1 VAL 63 2HG1 VAL 63 11.892 -8.685 -4.050 483 3HG1 VAL 63 3HG1 VAL 63 10.132 -8.807 -4.288 484 1HG2 VAL 63 1HG2 VAL 63 11.713 -7.832 -2.021 485 2HG2 VAL 63 2HG2 VAL 63 11.428 -6.090 -1.793 486 3HG2 VAL 63 3HG2 VAL 63 10.062 -7.230 -1.736 487 H GLU 64 H GLU 64 13.375 -4.078 -3.178 488 HA GLU 64 HA GLU 64 15.353 -6.041 -2.555 489 1HB GLU 64 1HB GLU 64 15.858 -5.447 -4.946 490 2HB GLU 64 2HB GLU 64 16.055 -3.773 -4.470 491 1HG GLU 64 1HG GLU 64 18.219 -4.210 -3.962 492 2HG GLU 64 2HG GLU 64 17.672 -5.245 -2.658 493 H ARG 65 H ARG 65 15.529 -5.517 -0.406 494 HA ARG 65 HA ARG 65 15.841 -4.379 1.403 495 1HB ARG 65 1HB ARG 65 17.693 -3.268 -0.516 496 2HB ARG 65 2HB ARG 65 17.129 -1.949 0.491 497 1HG ARG 65 1HG ARG 65 18.729 -2.652 1.964 498 2HG ARG 65 2HG ARG 65 17.567 -3.889 2.401 499 1HD ARG 65 1HD ARG 65 19.100 -5.438 1.755 500 2HD ARG 65 2HD ARG 65 18.821 -4.934 0.101 501 HE ARG 65 HE ARG 65 20.868 -3.792 0.119 502 1HH1 ARG 65 2HH2 ARG 65 19.926 -4.542 3.425 503 2HH1 ARG 65 1HH2 ARG 65 21.435 -4.035 4.106 504 1HH2 ARG 65 2HH1 ARG 65 22.860 -3.122 1.017 505 2HH2 ARG 65 1HH1 ARG 65 23.116 -3.221 2.727 506 HA PRO 66 HA PRO 66 12.948 -1.131 1.795 507 1HB PRO 66 1HB PRO 66 13.879 0.454 3.817 508 2HB PRO 66 2HB PRO 66 13.081 -1.081 4.093 509 1HG PRO 66 1HG PRO 66 15.956 -0.425 4.290 510 2HG PRO 66 2HG PRO 66 15.095 -1.798 4.957 511 1HD PRO 66 1HD PRO 66 16.778 -1.791 2.635 512 2HD PRO 66 2HD PRO 66 15.826 -3.134 3.235 513 H ILE 67 H ILE 67 13.664 -0.546 -0.479 514 HA ILE 67 HA ILE 67 14.120 2.315 -0.374 515 HB ILE 67 HB ILE 67 15.845 2.044 -2.232 516 1HG1 ILE 67 1HG1 ILE 67 17.212 -0.176 -1.659 517 2HG1 ILE 67 2HG1 ILE 67 15.612 -0.777 -1.273 518 1HG2 ILE 67 1HG2 ILE 67 16.084 2.548 0.393 519 2HG2 ILE 67 2HG2 ILE 67 17.058 1.061 0.294 520 3HG2 ILE 67 3HG2 ILE 67 17.473 2.466 -0.718 521 1HD1 ILE 67 1HD1 ILE 67 16.797 -0.200 -3.896 522 2HD1 ILE 67 2HD1 ILE 67 15.353 -1.161 -3.495 523 3HD1 ILE 67 3HD1 ILE 67 15.222 0.603 -3.689 524 H LYS 68 H LYS 68 13.585 -0.658 -2.360 525 HA LYS 68 HA LYS 68 11.517 0.845 -3.777 526 1HB LYS 68 1HB LYS 68 13.406 0.985 -5.251 527 2HB LYS 68 2HB LYS 68 13.770 -0.718 -5.060 528 1HG LYS 68 1HG LYS 68 12.574 -0.878 -7.027 529 2HG LYS 68 2HG LYS 68 11.219 -0.974 -5.921 530 1HD LYS 68 1HD LYS 68 10.481 1.175 -6.401 531 2HD LYS 68 2HD LYS 68 12.098 1.791 -6.674 532 1HE LYS 68 1HE LYS 68 11.592 1.689 -8.896 533 2HE LYS 68 2HE LYS 68 11.839 -0.040 -8.751 534 1HZ LYS 68 1HZ LYS 68 9.609 -0.414 -8.631 535 2HZ LYS 68 2HZ LYS 68 9.242 1.069 -8.053 536 3HZ LYS 68 3HZ LYS 68 9.622 0.878 -9.630 537 H LEU 69 H LEU 69 9.625 -0.277 -3.978 538 HA LEU 69 HA LEU 69 9.659 -3.148 -3.928 539 1HB LEU 69 1HB LEU 69 9.848 -2.503 -1.530 540 2HB LEU 69 2HB LEU 69 8.317 -1.661 -1.667 541 HG LEU 69 HG LEU 69 7.364 -3.946 -2.448 542 1HD1 LEU 69 1HD1 LEU 69 9.676 -5.066 -0.874 543 2HD1 LEU 69 2HD1 LEU 69 8.495 -5.912 -1.904 544 3HD1 LEU 69 3HD1 LEU 69 9.751 -4.890 -2.644 545 1HD2 LEU 69 1HD2 LEU 69 6.667 -4.420 -0.277 546 2HD2 LEU 69 2HD2 LEU 69 8.200 -3.876 0.444 547 3HD2 LEU 69 3HD2 LEU 69 7.057 -2.685 -0.220 548 H SER 70 H SER 70 8.077 -3.862 -5.267 549 HA SER 70 HA SER 70 5.692 -2.260 -5.488 550 1HB SER 70 1HB SER 70 7.490 -1.565 -7.262 551 2HB SER 70 2HB SER 70 7.122 -3.097 -8.030 552 HG SER 70 HG SER 70 4.963 -1.355 -7.311 553 H PHE 71 H PHE 71 3.874 -3.489 -6.395 554 HA PHE 71 HA PHE 71 4.354 -6.232 -7.116 555 1HB PHE 71 1HB PHE 71 3.204 -7.161 -5.209 556 2HB PHE 71 2HB PHE 71 4.238 -5.937 -4.500 557 HD1 PHE 71 1HD PHE 71 0.801 -6.881 -5.261 558 HD2 PHE 71 2HD PHE 71 3.291 -3.846 -3.650 559 HE1 PHE 71 1HE PHE 71 -1.203 -5.792 -4.214 560 HE2 PHE 71 2HE PHE 71 1.287 -2.757 -2.603 561 HZ PHE 71 HZ PHE 71 -0.937 -3.743 -2.898 562 H THR 72 H THR 72 2.698 -7.053 -8.408 563 HA THR 72 HA THR 72 0.662 -5.114 -9.149 564 HB THR 72 HB THR 72 0.347 -6.725 -11.050 565 HG1 THR 72 1HG THR 72 0.851 -8.714 -10.056 566 1HG2 THR 72 1HG2 THR 72 2.159 -5.766 -12.055 567 2HG2 THR 72 2HG2 THR 72 2.799 -5.313 -10.457 568 3HG2 THR 72 3HG2 THR 72 3.228 -6.884 -11.174 569 H TRP 73 H TRP 73 -1.605 -5.651 -9.317 570 HA TRP 73 HA TRP 73 -2.456 -7.956 -7.772 571 1HB TRP 73 1HB TRP 73 -2.171 -6.264 -6.060 572 2HB TRP 73 2HB TRP 73 -3.129 -5.119 -6.977 573 HD1 TRP 73 HD TRP 73 -4.395 -8.738 -6.711 574 HE1 TRP 73 1HE TRP 73 -6.593 -8.885 -5.259 575 HE3 TRP 73 3HE TRP 73 -4.273 -3.920 -5.088 576 HZ2 TRP 73 2HZ TRP 73 -8.003 -7.012 -3.631 577 HZ3 TRP 73 3HZ TRP 73 -6.098 -3.160 -3.570 578 HH2 TRP 73 HH TRP 73 -7.919 -4.619 -2.841 579 H ASP 74 H ASP 74 -4.293 -8.819 -8.707 580 HA ASP 74 HA ASP 74 -5.988 -9.065 -10.036 581 1HB ASP 74 1HB ASP 74 -6.152 -6.207 -9.319 582 2HB ASP 74 2HB ASP 74 -6.867 -6.529 -10.886 583 H THR 75 H THR 75 -6.796 -8.486 -12.425 584 HA THR 75 HA THR 75 -4.460 -7.632 -14.008 585 HB THR 75 HB THR 75 -5.339 -9.362 -15.682 586 HG1 THR 75 1HG THR 75 -7.486 -9.548 -14.812 587 1HG2 THR 75 1HG2 THR 75 -3.682 -10.578 -14.651 588 2HG2 THR 75 2HG2 THR 75 -4.103 -9.932 -13.047 589 3HG2 THR 75 3HG2 THR 75 -5.000 -11.318 -13.712 590 H ASP 76 H ASP 76 -6.277 -5.736 -13.074 591 HA ASP 76 HA ASP 76 -8.047 -5.354 -15.338 592 1HB ASP 76 1HB ASP 76 -8.639 -5.097 -12.747 593 2HB ASP 76 2HB ASP 76 -7.908 -3.516 -12.935 594 H GLY 77 H GLY 77 -5.728 -3.520 -13.196 595 1HA GLY 77 1HA GLY 77 -3.956 -2.509 -14.869 596 2HA GLY 77 2HA GLY 77 -5.338 -1.514 -15.283 597 H TRP 78 H TRP 78 -4.348 -2.877 -12.072 598 HA TRP 78 HA TRP 78 -3.979 -0.111 -11.153 599 1HB TRP 78 1HB TRP 78 -5.688 -2.282 -10.005 600 2HB TRP 78 2HB TRP 78 -4.896 -1.157 -8.920 601 HD1 TRP 78 HD TRP 78 -5.517 1.062 -11.651 602 HE1 TRP 78 1HE TRP 78 -7.800 2.383 -11.549 603 HE3 TRP 78 3HE TRP 78 -7.711 -1.950 -8.190 604 HZ2 TRP 78 2HZ TRP 78 -10.212 2.028 -10.066 605 HZ3 TRP 78 3HZ TRP 78 -10.031 -1.392 -7.470 606 HH2 TRP 78 HH TRP 78 -11.276 0.518 -8.349 607 H SER 79 H SER 79 -1.836 0.085 -10.658 608 HA SER 79 HA SER 79 -0.619 -2.215 -9.346 609 1HB SER 79 1HB SER 79 1.375 -0.647 -10.738 610 2HB SER 79 2HB SER 79 0.990 -2.346 -10.925 611 HG SER 79 HG SER 79 -0.964 -1.381 -12.223 612 H VAL 80 H VAL 80 0.288 -1.717 -7.371 613 HA VAL 80 HA VAL 80 0.638 1.142 -6.797 614 HB VAL 80 HB VAL 80 -1.060 0.261 -5.428 615 1HG1 VAL 80 1HG1 VAL 80 -0.916 -2.074 -5.679 616 2HG1 VAL 80 2HG1 VAL 80 0.759 -2.127 -5.080 617 3HG1 VAL 80 3HG1 VAL 80 -0.578 -1.792 -3.954 618 1HG2 VAL 80 1HG2 VAL 80 0.392 1.657 -4.153 619 2HG2 VAL 80 2HG2 VAL 80 0.000 0.256 -3.128 620 3HG2 VAL 80 3HG2 VAL 80 1.580 0.349 -3.943 621 H THR 81 H THR 81 2.579 1.859 -5.847 622 HA THR 81 HA THR 81 4.686 -0.187 -5.641 623 HB THR 81 HB THR 81 5.074 2.625 -6.768 624 HG1 THR 81 1HG THR 81 4.057 1.762 -8.531 625 1HG2 THR 81 1HG2 THR 81 6.753 0.743 -8.018 626 2HG2 THR 81 2HG2 THR 81 7.248 1.893 -6.753 627 3HG2 THR 81 3HG2 THR 81 6.756 0.241 -6.311 628 H PHE 82 H PHE 82 6.042 -0.059 -3.905 629 HA PHE 82 HA PHE 82 5.341 2.048 -1.995 630 1HB PHE 82 1HB PHE 82 6.520 -0.782 -1.840 631 2HB PHE 82 2HB PHE 82 6.557 0.287 -0.452 632 HD1 PHE 82 1HD PHE 82 4.025 1.516 -0.258 633 HD2 PHE 82 2HD PHE 82 4.911 -2.405 -1.620 634 HE1 PHE 82 1HE PHE 82 1.713 0.773 0.377 635 HE2 PHE 82 2HE PHE 82 2.599 -3.147 -0.985 636 HZ PHE 82 HZ PHE 82 1.027 -1.550 0.005 637 H HIS 83 H HIS 83 7.061 3.059 -0.737 638 HA HIS 83 HA HIS 83 9.748 2.630 -1.715 639 1HB HIS 83 1HB HIS 83 8.199 5.185 -2.102 640 2HB HIS 83 2HB HIS 83 9.942 5.216 -1.920 641 HD1 HIS 83 1HD HIS 83 11.375 4.019 -3.818 642 HD2 HIS 83 2HD HIS 83 7.262 4.311 -4.587 643 HE1 HIS 83 1HE HIS 83 11.077 3.538 -6.306 644 H LEU 84 H LEU 84 11.064 2.515 0.031 645 HA LEU 84 HA LEU 84 10.156 3.925 2.444 646 1HB LEU 84 1HB LEU 84 11.327 1.217 2.005 647 2HB LEU 84 2HB LEU 84 11.734 2.069 3.481 648 HG LEU 84 HG LEU 84 9.038 2.371 3.504 649 1HD1 LEU 84 1HD1 LEU 84 9.437 -0.393 2.339 650 2HD1 LEU 84 2HD1 LEU 84 7.907 0.410 2.769 651 3HD1 LEU 84 3HD1 LEU 84 8.872 1.008 1.398 652 1HD2 LEU 84 1HD2 LEU 84 10.997 0.636 4.799 653 2HD2 LEU 84 2HD2 LEU 84 9.631 1.547 5.488 654 3HD2 LEU 84 3HD2 LEU 84 9.360 -0.064 4.779 655 H LYS 85 H LYS 85 11.963 4.649 3.906 656 HA LYS 85 HA LYS 85 14.592 4.788 3.001 657 1HB LYS 85 1HB LYS 85 14.597 7.288 2.458 658 2HB LYS 85 2HB LYS 85 14.031 6.188 1.217 659 1HG LYS 85 1HG LYS 85 12.037 7.260 1.154 660 2HG LYS 85 2HG LYS 85 11.755 6.859 2.837 661 1HD LYS 85 1HD LYS 85 11.671 9.232 2.804 662 2HD LYS 85 2HD LYS 85 13.275 8.882 3.416 663 1HE LYS 85 1HE LYS 85 14.261 9.241 1.183 664 2HE LYS 85 2HE LYS 85 12.672 9.438 0.473 665 1HZ LYS 85 1HZ LYS 85 13.402 11.159 2.693 666 2HZ LYS 85 2HZ LYS 85 14.047 11.475 1.226 667 3HZ LYS 85 3HZ LYS 85 12.426 11.468 1.420 668 H GLU 86 H GLU 86 15.629 4.841 4.914 669 HA GLU 86 HA GLU 86 14.284 5.613 7.236 670 1HB GLU 86 1HB GLU 86 16.373 4.008 6.787 671 2HB GLU 86 2HB GLU 86 17.295 5.459 7.126 672 1HG GLU 86 1HG GLU 86 15.117 5.058 9.074 673 2HG GLU 86 2HG GLU 86 16.215 3.693 9.029 674 H GLU 87 H GLU 87 14.296 7.524 8.431 675 HA GLU 87 HA GLU 87 15.679 9.727 7.120 676 1HB GLU 87 1HB GLU 87 12.993 9.424 8.010 677 2HB GLU 87 2HB GLU 87 13.732 10.562 9.120 678 1HG GLU 87 1HG GLU 87 14.360 10.986 6.222 679 2HG GLU 87 2HG GLU 87 12.695 11.272 6.686 680 H GLU 88 H GLU 88 15.720 11.632 9.149 681 HA GLU 88 HA GLU 88 17.976 11.169 10.457 682 1HB GLU 88 1HB GLU 88 15.580 12.874 11.046 683 2HB GLU 88 2HB GLU 88 16.767 12.721 12.325 684 1HG GLU 88 1HG GLU 88 18.323 13.136 10.010 685 2HG GLU 88 2HG GLU 88 16.946 14.196 9.784 686 H ASN 89 H ASN 89 14.859 11.030 12.323 687 HA ASN 89 HA ASN 89 15.972 8.694 13.663 688 1HB ASN 89 1HB ASN 89 15.796 11.082 14.923 689 2HB ASN 89 2HB ASN 89 14.130 10.584 15.144 690 1HD2 ASN 89 1HD2 ASN 89 13.959 8.138 15.746 691 2HD2 ASN 89 2HD2 ASN 89 14.950 7.625 17.071 692 H GLY 90 H GLY 90 14.376 8.227 11.512 693 1HA GLY 90 1HA GLY 90 12.136 6.885 12.521 694 2HA GLY 90 2HA GLY 90 11.594 8.422 11.877 695 H THR 91 H THR 91 10.604 6.246 10.606 696 HA THR 91 HA THR 91 12.292 5.954 8.209 697 HB THR 91 HB THR 91 10.132 4.138 9.404 698 HG1 THR 91 1HG THR 91 12.306 4.301 10.452 699 1HG2 THR 91 1HG2 THR 91 10.451 4.057 6.830 700 2HG2 THR 91 2HG2 THR 91 12.118 3.529 7.164 701 3HG2 THR 91 3HG2 THR 91 10.745 2.534 7.703 702 H ILE 92 H ILE 92 11.474 6.394 6.183 703 HA ILE 92 HA ILE 92 8.906 7.807 6.247 704 HB ILE 92 HB ILE 92 11.248 8.038 4.354 705 1HG1 ILE 92 1HG1 ILE 92 11.635 8.974 6.618 706 2HG1 ILE 92 2HG1 ILE 92 11.656 10.184 5.350 707 1HG2 ILE 92 1HG2 ILE 92 9.662 8.699 2.905 708 2HG2 ILE 92 2HG2 ILE 92 8.452 8.970 4.182 709 3HG2 ILE 92 3HG2 ILE 92 9.691 10.205 3.854 710 1HD1 ILE 92 1HD1 ILE 92 9.158 10.588 5.887 711 2HD1 ILE 92 2HD1 ILE 92 9.438 9.621 7.355 712 3HD1 ILE 92 3HD1 ILE 92 10.337 11.136 7.102 713 H PHE 93 H PHE 93 7.218 7.175 4.929 714 HA PHE 93 HA PHE 93 7.780 4.910 3.154 715 1HB PHE 93 1HB PHE 93 6.695 4.308 5.407 716 2HB PHE 93 2HB PHE 93 5.367 5.380 5.007 717 HD1 PHE 93 1HD PHE 93 3.872 4.815 3.082 718 HD2 PHE 93 2HD PHE 93 6.801 2.104 4.525 719 HE1 PHE 93 1HE PHE 93 2.700 2.927 1.915 720 HE2 PHE 93 2HE PHE 93 5.629 0.216 3.357 721 HZ PHE 93 HZ PHE 93 3.592 0.650 2.067 722 H THR 94 H THR 94 7.218 5.393 1.089 723 HA THR 94 HA THR 94 5.015 7.318 0.726 724 HB THR 94 HB THR 94 7.615 6.914 -0.843 725 HG1 THR 94 1HG THR 94 8.136 8.704 0.374 726 1HG2 THR 94 1HG2 THR 94 5.690 9.195 -1.303 727 2HG2 THR 94 2HG2 THR 94 6.871 8.477 -2.425 728 3HG2 THR 94 3HG2 THR 94 5.336 7.640 -2.093 729 H ILE 95 H ILE 95 3.243 6.546 -0.221 730 HA ILE 95 HA ILE 95 3.529 3.999 -1.638 731 HB ILE 95 HB ILE 95 2.048 3.783 0.164 732 1HG1 ILE 95 1HG1 ILE 95 1.312 3.004 -2.199 733 2HG1 ILE 95 2HG1 ILE 95 0.160 2.956 -0.879 734 1HG2 ILE 95 1HG2 ILE 95 1.182 6.527 -0.581 735 2HG2 ILE 95 2HG2 ILE 95 -0.055 5.440 0.094 736 3HG2 ILE 95 3HG2 ILE 95 1.426 5.787 1.019 737 1HD1 ILE 95 1HD1 ILE 95 0.213 5.559 -2.300 738 2HD1 ILE 95 2HD1 ILE 95 -0.285 4.184 -3.316 739 3HD1 ILE 95 3HD1 ILE 95 -1.175 4.553 -1.819 740 H VAL 96 H VAL 96 2.553 3.709 -3.719 741 HA VAL 96 HA VAL 96 1.566 6.118 -5.010 742 HB VAL 96 HB VAL 96 3.885 4.514 -6.101 743 1HG1 VAL 96 1HG1 VAL 96 2.371 6.930 -7.124 744 2HG1 VAL 96 2HG1 VAL 96 3.985 6.475 -7.721 745 3HG1 VAL 96 3HG1 VAL 96 2.614 5.358 -7.922 746 1HG2 VAL 96 1HG2 VAL 96 4.874 5.732 -4.378 747 2HG2 VAL 96 2HG2 VAL 96 5.062 6.813 -5.779 748 3HG2 VAL 96 3HG2 VAL 96 3.776 7.117 -4.587 749 H HIS 97 H HIS 97 -0.172 5.636 -6.270 750 HA HIS 97 HA HIS 97 -0.356 2.907 -7.278 751 1HB HIS 97 1HB HIS 97 -1.632 2.842 -5.248 752 2HB HIS 97 2HB HIS 97 -2.449 4.343 -5.633 753 HD1 HIS 97 1HD HIS 97 -4.741 4.053 -6.571 754 HD2 HIS 97 2HD HIS 97 -2.286 0.747 -7.371 755 HE1 HIS 97 1HE HIS 97 -6.209 2.346 -7.772 756 H SER 98 H SER 98 -0.405 3.126 -9.456 757 HA SER 98 HA SER 98 -1.801 5.470 -10.476 758 1HB SER 98 1HB SER 98 0.363 3.737 -11.749 759 2HB SER 98 2HB SER 98 -0.460 5.042 -12.581 760 HG SER 98 HG SER 98 1.598 5.696 -11.635 761 H GLY 99 H GLY 99 -2.647 4.941 -12.902 762 1HA GLY 99 1HA GLY 99 -3.517 3.147 -14.279 763 2HA GLY 99 2HA GLY 99 -3.985 2.304 -12.815 764 H TRP 100 H TRP 100 -4.395 5.643 -14.218 765 HA TRP 100 HA TRP 100 -7.275 5.327 -13.848 766 1HB TRP 100 1HB TRP 100 -5.739 7.726 -12.836 767 2HB TRP 100 2HB TRP 100 -7.479 7.513 -12.814 768 HD1 TRP 100 HD TRP 100 -4.324 5.929 -11.165 769 HE1 TRP 100 1HE TRP 100 -4.924 4.890 -8.814 770 HE3 TRP 100 3HE TRP 100 -9.330 6.760 -11.488 771 HZ2 TRP 100 2HZ TRP 100 -7.370 4.540 -7.386 772 HZ3 TRP 100 3HZ TRP 100 -10.753 6.039 -9.573 773 HH2 TRP 100 HH TRP 100 -9.849 4.964 -7.572 774 H LYS 101 H LYS 101 -8.276 7.538 -14.894 775 HA LYS 101 HA LYS 101 -6.692 8.123 -17.293 776 1HB LYS 101 1HB LYS 101 -9.657 7.489 -17.227 777 2HB LYS 101 2HB LYS 101 -8.748 7.997 -18.636 778 1HG LYS 101 1HG LYS 101 -7.253 5.976 -18.350 779 2HG LYS 101 2HG LYS 101 -8.258 5.454 -17.013 780 1HD LYS 101 1HD LYS 101 -9.569 4.388 -18.529 781 2HD LYS 101 2HD LYS 101 -10.113 5.964 -19.067 782 1HE LYS 101 1HE LYS 101 -9.105 5.637 -21.071 783 2HE LYS 101 2HE LYS 101 -7.547 5.523 -20.277 784 1HZ LYS 101 1HZ LYS 101 -8.539 3.138 -19.754 785 2HZ LYS 101 2HZ LYS 101 -9.278 3.419 -21.183 786 3HZ LYS 101 3HZ LYS 101 -7.649 3.460 -21.085 787 H GLN 102 H GLN 102 -8.428 9.966 -18.472 788 HA GLN 102 HA GLN 102 -7.775 12.257 -17.251 789 1HB GLN 102 1HB GLN 102 -9.783 11.427 -19.262 790 2HB GLN 102 2HB GLN 102 -10.201 12.917 -18.441 791 1HG GLN 102 1HG GLN 102 -7.486 12.386 -19.737 792 2HG GLN 102 2HG GLN 102 -8.795 13.246 -20.524 793 1HE2 GLN 102 1HE2 GLN 102 -9.864 14.846 -18.731 794 2HE2 GLN 102 2HE2 GLN 102 -8.736 15.987 -18.078 795 H GLY 103 H GLY 103 -8.742 13.744 -15.774 796 1HA GLY 103 1HA GLY 103 -10.314 12.519 -13.718 797 2HA GLY 103 2HA GLY 103 -9.742 14.174 -13.790 798 H ASP 104 H ASP 104 -11.931 12.149 -15.882 799 HA ASP 104 HA ASP 104 -14.114 13.855 -15.197 800 1HB ASP 104 1HB ASP 104 -14.453 13.991 -17.898 801 2HB ASP 104 2HB ASP 104 -13.703 15.265 -16.959 802 H THR 105 H THR 105 -12.712 11.369 -17.439 803 HA THR 105 HA THR 105 -15.057 10.124 -18.218 804 HB THR 105 HB THR 105 -13.494 8.202 -18.681 805 HG1 THR 105 1HG THR 105 -12.231 8.428 -16.718 806 1HG2 THR 105 1HG2 THR 105 -13.308 10.747 -19.805 807 2HG2 THR 105 2HG2 THR 105 -11.648 10.467 -19.225 808 3HG2 THR 105 3HG2 THR 105 -12.397 9.324 -20.366 809 H LYS 106 H LYS 106 -15.488 7.671 -17.590 810 HA LYS 106 HA LYS 106 -15.612 7.587 -14.657 811 1HB LYS 106 1HB LYS 106 -17.797 8.222 -15.448 812 2HB LYS 106 2HB LYS 106 -17.799 6.951 -16.654 813 1HG LYS 106 1HG LYS 106 -17.511 5.295 -14.663 814 2HG LYS 106 2HG LYS 106 -17.928 6.646 -13.628 815 1HD LYS 106 1HD LYS 106 -19.994 6.916 -15.280 816 2HD LYS 106 2HD LYS 106 -19.641 5.252 -15.701 817 1HE LYS 106 1HE LYS 106 -19.564 5.489 -12.816 818 2HE LYS 106 2HE LYS 106 -21.042 6.237 -13.388 819 1HZ LYS 106 1HZ LYS 106 -20.249 3.488 -13.490 820 2HZ LYS 106 2HZ LYS 106 -21.744 4.139 -13.413 821 3HZ LYS 106 3HZ LYS 106 -20.975 4.029 -14.849 822 H VAL 107 H VAL 107 -15.492 5.468 -13.708 823 HA VAL 107 HA VAL 107 -13.871 3.702 -15.284 824 HB VAL 107 HB VAL 107 -14.943 3.463 -12.465 825 1HG1 VAL 107 1HG1 VAL 107 -13.427 1.711 -12.102 826 2HG1 VAL 107 2HG1 VAL 107 -14.108 1.357 -13.708 827 3HG1 VAL 107 3HG1 VAL 107 -12.491 2.088 -13.568 828 1HG2 VAL 107 1HG2 VAL 107 -12.312 4.050 -12.173 829 2HG2 VAL 107 2HG2 VAL 107 -12.683 4.983 -13.643 830 3HG2 VAL 107 3HG2 VAL 107 -13.610 5.268 -12.150 831 H GLU 108 H GLU 108 -14.741 2.293 -16.709 832 HA GLU 108 HA GLU 108 -17.485 1.567 -16.412 833 1HB GLU 108 1HB GLU 108 -17.211 0.480 -18.586 834 2HB GLU 108 2HB GLU 108 -16.478 2.071 -18.637 835 1HG GLU 108 1HG GLU 108 -14.323 0.590 -17.811 836 2HG GLU 108 2HG GLU 108 -15.180 -0.624 -18.740 837 H LYS 109 H LYS 109 -16.756 0.581 -14.164 838 HA LYS 109 HA LYS 109 -17.000 -2.186 -14.382 839 1HB LYS 109 1HB LYS 109 -14.638 -2.025 -15.164 840 2HB LYS 109 2HB LYS 109 -14.198 -1.306 -13.627 841 1HG LYS 109 1HG LYS 109 -15.755 -3.731 -13.169 842 2HG LYS 109 2HG LYS 109 -14.417 -4.083 -14.244 843 1HD LYS 109 1HD LYS 109 -12.788 -3.464 -12.655 844 2HD LYS 109 2HD LYS 109 -13.884 -2.412 -11.782 845 1HE LYS 109 1HE LYS 109 -14.242 -5.441 -11.877 846 2HE LYS 109 2HE LYS 109 -13.304 -4.640 -10.633 847 1HZ LYS 109 1HZ LYS 109 -15.848 -5.072 -10.372 848 2HZ LYS 109 2HZ LYS 109 -15.148 -3.746 -9.726 849 3HZ LYS 109 3HZ LYS 109 -15.969 -3.632 -11.132 850 H ALA 110 H ALA 110 -15.141 0.065 -12.210 851 HA ALA 110 HA ALA 110 -16.049 -0.961 -9.844 852 1HB ALA 110 1HB ALA 110 -15.322 1.136 -8.878 853 2HB ALA 110 2HB ALA 110 -14.228 0.741 -10.226 854 3HB ALA 110 3HB ALA 110 -15.496 1.971 -10.440 855 H GLY 111 H GLY 111 -17.380 1.991 -11.511 856 1HA GLY 111 1HA GLY 111 -19.794 1.999 -11.904 857 2HA GLY 111 2HA GLY 111 -19.997 1.319 -10.302 858 H ALA 112 H ALA 112 -17.970 4.030 -11.642 859 HA ALA 112 HA ALA 112 -19.426 6.126 -10.683 860 1HB ALA 112 1HB ALA 112 -19.316 5.482 -8.431 861 2HB ALA 112 2HB ALA 112 -17.654 4.864 -8.586 862 3HB ALA 112 3HB ALA 112 -17.954 6.619 -8.579 863 H GLU 113 H GLU 113 -18.199 8.176 -10.807 864 HA GLU 113 HA GLU 113 -16.474 8.212 -12.891 865 1HB GLU 113 1HB GLU 113 -16.932 10.146 -10.599 866 2HB GLU 113 2HB GLU 113 -15.768 10.515 -11.856 867 1HG GLU 113 1HG GLU 113 -17.444 10.511 -13.575 868 2HG GLU 113 2HG GLU 113 -18.607 9.682 -12.559 869 H SER 114 H SER 114 -14.132 8.664 -13.055 870 HA SER 114 HA SER 114 -12.685 6.943 -11.393 871 1HB SER 114 1HB SER 114 -11.764 9.046 -13.402 872 2HB SER 114 2HB SER 114 -10.693 7.880 -12.650 873 HG SER 114 HG SER 114 -13.015 7.208 -14.250 874 H ALA 115 H ALA 115 -13.563 10.335 -11.228 875 HA ALA 115 HA ALA 115 -11.387 11.095 -9.525 876 1HB ALA 115 1HB ALA 115 -12.094 13.019 -10.477 877 2HB ALA 115 2HB ALA 115 -13.685 12.332 -10.884 878 3HB ALA 115 3HB ALA 115 -13.391 12.996 -9.258 879 H VAL 116 H VAL 116 -14.863 10.183 -9.171 880 HA VAL 116 HA VAL 116 -15.065 10.709 -6.450 881 HB VAL 116 HB VAL 116 -16.464 8.850 -8.357 882 1HG1 VAL 116 1HG1 VAL 116 -16.515 8.758 -5.433 883 2HG1 VAL 116 2HG1 VAL 116 -18.125 9.037 -6.140 884 3HG1 VAL 116 3HG1 VAL 116 -17.173 7.614 -6.627 885 1HG2 VAL 116 1HG2 VAL 116 -17.174 11.460 -6.992 886 2HG2 VAL 116 2HG2 VAL 116 -16.993 11.139 -8.733 887 3HG2 VAL 116 3HG2 VAL 116 -18.368 10.448 -7.839 888 H VAL 117 H VAL 117 -14.284 7.609 -8.179 889 HA VAL 117 HA VAL 117 -13.806 6.178 -5.814 890 HB VAL 117 HB VAL 117 -12.654 5.672 -8.561 891 1HG1 VAL 117 1HG1 VAL 117 -13.007 3.258 -7.799 892 2HG1 VAL 117 2HG1 VAL 117 -11.695 4.165 -7.007 893 3HG1 VAL 117 3HG1 VAL 117 -13.244 3.920 -6.164 894 1HG2 VAL 117 1HG2 VAL 117 -14.701 5.350 -9.382 895 2HG2 VAL 117 2HG2 VAL 117 -15.058 4.181 -8.088 896 3HG2 VAL 117 3HG2 VAL 117 -15.398 5.910 -7.843 897 H HIS 118 H HIS 118 -11.669 8.032 -8.059 898 HA HIS 118 HA HIS 118 -9.248 7.346 -7.050 899 1HB HIS 118 1HB HIS 118 -9.209 8.683 -8.937 900 2HB HIS 118 2HB HIS 118 -10.358 9.837 -8.288 901 HD1 HIS 118 1HD HIS 118 -8.952 11.945 -8.546 902 HD2 HIS 118 2HD HIS 118 -6.991 8.913 -6.412 903 HE1 HIS 118 1HE HIS 118 -6.836 13.000 -7.586 904 H GLU 119 H GLU 119 -11.447 9.973 -5.852 905 HA GLU 119 HA GLU 119 -9.738 10.649 -3.745 906 1HB GLU 119 1HB GLU 119 -12.663 11.189 -4.348 907 2HB GLU 119 2HB GLU 119 -11.938 11.743 -2.852 908 1HG GLU 119 1HG GLU 119 -10.124 12.881 -4.244 909 2HG GLU 119 2HG GLU 119 -11.035 12.455 -5.680 910 H ARG 120 H ARG 120 -12.741 8.627 -3.950 911 HA ARG 120 HA ARG 120 -13.028 8.061 -1.331 912 1HB ARG 120 1HB ARG 120 -13.854 6.888 -3.881 913 2HB ARG 120 2HB ARG 120 -13.560 5.617 -2.712 914 1HG ARG 120 1HG ARG 120 -14.955 7.343 -1.126 915 2HG ARG 120 2HG ARG 120 -15.632 7.788 -2.680 916 1HD ARG 120 1HD ARG 120 -17.069 6.041 -2.157 917 2HD ARG 120 2HD ARG 120 -15.824 5.121 -2.979 918 HE ARG 120 HE ARG 120 -15.183 5.386 -0.172 919 1HH1 ARG 120 2HH2 ARG 120 -17.289 3.640 -2.385 920 2HH1 ARG 120 1HH2 ARG 120 -17.463 2.270 -1.340 921 1HH2 ARG 120 2HH1 ARG 120 -15.412 3.578 1.207 922 2HH2 ARG 120 1HH1 ARG 120 -16.389 2.234 0.717 923 H MET 121 H MET 121 -11.220 6.035 -3.769 924 HA MET 121 HA MET 121 -10.215 4.259 -1.915 925 1HB MET 121 1HB MET 121 -9.823 4.989 -4.748 926 2HB MET 121 2HB MET 121 -8.310 4.484 -4.021 927 1HG MET 121 1HG MET 121 -9.734 2.465 -3.063 928 2HG MET 121 2HG MET 121 -10.882 2.899 -4.314 929 1HE MET 121 1HE MET 121 -8.067 0.490 -3.669 930 2HE MET 121 2HE MET 121 -9.756 0.202 -4.151 931 3HE MET 121 3HE MET 121 -8.427 -0.242 -5.250 932 H ASP 122 H ASP 122 -8.881 7.355 -3.203 933 HA ASP 122 HA ASP 122 -6.369 7.173 -2.184 934 1HB ASP 122 1HB ASP 122 -7.117 8.998 -3.659 935 2HB ASP 122 2HB ASP 122 -8.212 9.594 -2.428 936 H ARG 123 H ARG 123 -9.406 8.498 -0.682 937 HA ARG 123 HA ARG 123 -8.368 9.408 1.638 938 1HB ARG 123 1HB ARG 123 -11.036 8.239 0.842 939 2HB ARG 123 2HB ARG 123 -10.757 8.520 2.549 940 1HG ARG 123 1HG ARG 123 -10.122 10.716 0.560 941 2HG ARG 123 2HG ARG 123 -11.787 10.442 1.034 942 1HD ARG 123 1HD ARG 123 -11.468 11.360 3.104 943 2HD ARG 123 2HD ARG 123 -9.976 10.477 3.363 944 HE ARG 123 HE ARG 123 -9.393 12.455 1.430 945 1HH1 ARG 123 2HH2 ARG 123 -10.442 12.335 4.787 946 2HH1 ARG 123 1HH2 ARG 123 -9.710 13.848 5.203 947 1HH2 ARG 123 2HH1 ARG 123 -8.427 14.452 1.979 948 2HH2 ARG 123 1HH1 ARG 123 -8.556 15.060 3.595 949 H GLY 124 H GLY 124 -9.769 6.100 1.023 950 1HA GLY 124 1HA GLY 124 -9.139 5.023 3.536 951 2HA GLY 124 2HA GLY 124 -9.468 4.131 2.064 952 H TRP 125 H TRP 125 -7.323 5.165 0.413 953 HA TRP 125 HA TRP 125 -5.296 3.406 1.067 954 1HB TRP 125 1HB TRP 125 -5.797 5.483 -0.914 955 2HB TRP 125 2HB TRP 125 -4.102 5.382 -0.478 956 HD1 TRP 125 HD TRP 125 -6.325 3.951 -2.951 957 HE1 TRP 125 1HE TRP 125 -5.507 1.665 -3.986 958 HE3 TRP 125 3HE TRP 125 -2.855 2.967 0.633 959 HZ2 TRP 125 2HZ TRP 125 -3.545 -0.255 -3.207 960 HZ3 TRP 125 3HZ TRP 125 -1.531 0.865 0.421 961 HH2 TRP 125 HH TRP 125 -1.831 -0.719 -1.416 962 H HIS 126 H HIS 126 -5.454 7.023 1.458 963 HA HIS 126 HA HIS 126 -3.022 7.267 2.747 964 1HB HIS 126 1HB HIS 126 -4.613 9.040 1.739 965 2HB HIS 126 2HB HIS 126 -5.400 9.037 3.305 966 HD1 HIS 126 1HD HIS 126 -4.537 11.624 3.307 967 HD2 HIS 126 2HD HIS 126 -1.596 8.657 3.692 968 HE1 HIS 126 1HE HIS 126 -2.455 12.793 4.208 969 H ASP 127 H ASP 127 -6.364 6.949 4.132 970 HA ASP 127 HA ASP 127 -5.685 7.076 6.748 971 1HB ASP 127 1HB ASP 127 -7.726 5.139 5.564 972 2HB ASP 127 2HB ASP 127 -7.749 5.806 7.185 973 H LEU 128 H LEU 128 -5.517 4.331 4.421 974 HA LEU 128 HA LEU 128 -4.987 2.319 6.298 975 1HB LEU 128 1HB LEU 128 -5.781 1.770 4.128 976 2HB LEU 128 2HB LEU 128 -4.450 2.600 3.346 977 HG LEU 128 HG LEU 128 -2.899 0.890 4.413 978 1HD1 LEU 128 1HD1 LEU 128 -3.788 -0.375 6.020 979 2HD1 LEU 128 2HD1 LEU 128 -5.454 -0.003 5.516 980 3HD1 LEU 128 3HD1 LEU 128 -4.550 -1.305 4.707 981 1HD2 LEU 128 1HD2 LEU 128 -3.511 -0.888 2.740 982 2HD2 LEU 128 2HD2 LEU 128 -4.962 0.070 2.358 983 3HD2 LEU 128 3HD2 LEU 128 -3.343 0.756 2.081 984 H VAL 129 H VAL 129 -2.824 4.432 4.306 985 HA VAL 129 HA VAL 129 -0.553 3.397 5.813 986 HB VAL 129 HB VAL 129 -0.427 3.474 3.376 987 1HG1 VAL 129 1HG1 VAL 129 -0.099 6.317 2.993 988 2HG1 VAL 129 2HG1 VAL 129 -1.187 5.181 2.159 989 3HG1 VAL 129 3HG1 VAL 129 -1.710 5.973 3.666 990 1HG2 VAL 129 1HG2 VAL 129 1.505 5.607 3.943 991 2HG2 VAL 129 2HG2 VAL 129 1.491 4.325 5.177 992 3HG2 VAL 129 3HG2 VAL 129 1.773 3.913 3.469 993 H ASN 130 H ASN 130 -2.468 4.868 7.322 994 HA ASN 130 HA ASN 130 -0.964 7.333 7.734 995 1HB ASN 130 1HB ASN 130 -3.776 6.944 7.292 996 2HB ASN 130 2HB ASN 130 -3.605 7.378 8.981 997 1HD2 ASN 130 1HD2 ASN 130 -2.056 8.260 5.890 998 2HD2 ASN 130 2HD2 ASN 130 -2.147 9.979 6.083 999 H GLU 131 H GLU 131 -3.413 5.244 9.465 1000 HA GLU 131 HA GLU 131 -1.561 5.215 11.721 1001 1HB GLU 131 1HB GLU 131 -3.729 4.912 13.112 1002 2HB GLU 131 2HB GLU 131 -3.382 6.511 12.485 1003 1HG GLU 131 1HG GLU 131 -5.136 6.462 10.980 1004 2HG GLU 131 2HG GLU 131 -4.955 4.750 10.654 1005 H ARG 132 H ARG 132 -3.908 3.455 9.678 1006 HA ARG 132 HA ARG 132 -4.038 1.129 11.095 1007 1HB ARG 132 1HB ARG 132 -3.997 1.469 8.053 1008 2HB ARG 132 2HB ARG 132 -4.620 0.066 8.897 1009 1HG ARG 132 1HG ARG 132 -5.739 2.697 9.780 1010 2HG ARG 132 2HG ARG 132 -6.164 2.207 8.152 1011 1HD ARG 132 1HD ARG 132 -6.682 -0.142 9.335 1012 2HD ARG 132 2HD ARG 132 -6.820 0.849 10.774 1013 HE ARG 132 HE ARG 132 -8.782 1.827 9.910 1014 1HH1 ARG 132 2HH2 ARG 132 -7.160 -0.027 7.398 1015 2HH1 ARG 132 1HH2 ARG 132 -8.486 0.074 6.288 1016 1HH2 ARG 132 2HH1 ARG 132 -10.532 1.962 8.447 1017 2HH2 ARG 132 1HH1 ARG 132 -10.417 1.213 6.889 1018 H LEU 133 H LEU 133 -1.545 2.358 8.824 1019 HA LEU 133 HA LEU 133 -0.108 -0.146 8.889 1020 1HB LEU 133 1HB LEU 133 -0.094 0.913 6.809 1021 2HB LEU 133 2HB LEU 133 0.238 2.490 7.498 1022 HG LEU 133 HG LEU 133 2.525 1.772 8.072 1023 1HD1 LEU 133 1HD1 LEU 133 3.436 -0.334 7.321 1024 2HD1 LEU 133 2HD1 LEU 133 2.027 -0.637 8.366 1025 3HD1 LEU 133 3HD1 LEU 133 1.876 -0.795 6.599 1026 1HD2 LEU 133 1HD2 LEU 133 1.447 2.115 5.408 1027 2HD2 LEU 133 2HD2 LEU 133 2.957 2.734 6.118 1028 3HD2 LEU 133 3HD2 LEU 133 2.918 1.114 5.380 1029 H ARG 134 H ARG 134 -0.070 3.076 10.414 1030 HA ARG 134 HA ARG 134 2.502 2.859 11.446 1031 1HB ARG 134 1HB ARG 134 0.994 4.953 11.268 1032 2HB ARG 134 2HB ARG 134 0.176 4.385 12.710 1033 1HG ARG 134 1HG ARG 134 2.770 4.201 13.561 1034 2HG ARG 134 2HG ARG 134 2.938 5.509 12.407 1035 1HD ARG 134 1HD ARG 134 1.034 5.416 14.794 1036 2HD ARG 134 2HD ARG 134 2.426 6.464 14.604 1037 HE ARG 134 HE ARG 134 0.666 6.874 12.379 1038 1HH1 ARG 134 2HH2 ARG 134 0.841 7.487 15.840 1039 2HH1 ARG 134 1HH2 ARG 134 -0.182 8.883 15.774 1040 1HH2 ARG 134 2HH1 ARG 134 -0.683 8.717 12.292 1041 2HH2 ARG 134 1HH1 ARG 134 -1.054 9.587 13.742 1042 H GLN 135 H GLN 135 -0.720 1.755 12.540 1043 HA GLN 135 HA GLN 135 0.008 1.222 15.175 1044 1HB GLN 135 1HB GLN 135 -2.320 1.039 13.572 1045 2HB GLN 135 2HB GLN 135 -2.048 -0.590 14.156 1046 1HG GLN 135 1HG GLN 135 -1.568 0.884 16.450 1047 2HG GLN 135 2HG GLN 135 -2.794 1.864 15.670 1048 1HE2 GLN 135 1HE2 GLN 135 -2.044 -1.099 17.255 1049 2HE2 GLN 135 2HE2 GLN 135 -3.640 -1.763 17.356 1050 H ILE 136 H ILE 136 1.060 -0.187 12.266 1051 HA ILE 136 HA ILE 136 1.298 -2.870 13.294 1052 HB ILE 136 HB ILE 136 2.497 -1.710 10.784 1053 1HG1 ILE 136 1HG1 ILE 136 0.083 -1.184 10.882 1054 2HG1 ILE 136 2HG1 ILE 136 0.490 -2.299 9.593 1055 1HG2 ILE 136 1HG2 ILE 136 3.425 -3.771 10.867 1056 2HG2 ILE 136 2HG2 ILE 136 2.155 -4.428 11.928 1057 3HG2 ILE 136 3HG2 ILE 136 1.852 -4.247 10.183 1058 1HD1 ILE 136 1HD1 ILE 136 -0.029 -4.001 11.758 1059 2HD1 ILE 136 2HD1 ILE 136 -1.242 -2.710 11.932 1060 3HD1 ILE 136 3HD1 ILE 136 -1.145 -3.642 10.419 1061 H VAL 137 H VAL 137 3.122 0.133 13.229 1062 HA VAL 137 HA VAL 137 5.482 -1.337 14.173 1063 HB VAL 137 HB VAL 137 6.733 0.684 13.543 1064 1HG1 VAL 137 1HG1 VAL 137 5.486 0.267 10.963 1065 2HG1 VAL 137 2HG1 VAL 137 7.075 -0.274 11.557 1066 3HG1 VAL 137 3HG1 VAL 137 5.629 -1.272 11.845 1067 1HG2 VAL 137 1HG2 VAL 137 4.441 1.755 11.961 1068 2HG2 VAL 137 2HG2 VAL 137 4.448 2.070 13.713 1069 3HG2 VAL 137 3HG2 VAL 137 5.817 2.602 12.707 1070 H GLU 138 H GLU 138 2.901 0.900 14.963 1071 HA GLU 138 HA GLU 138 4.308 1.694 17.369 1072 1HB GLU 138 1HB GLU 138 1.976 2.766 15.809 1073 2HB GLU 138 2HB GLU 138 1.978 3.057 17.537 1074 1HG GLU 138 1HG GLU 138 4.610 3.563 16.267 1075 2HG GLU 138 2HG GLU 138 3.333 4.585 15.637 Start of MODEL 14 1 1H MET 1 H MET 1 -11.840 19.596 -15.251 2 HA MET 1 HA MET 1 -12.238 20.981 -12.873 3 1HB MET 1 1HB MET 1 -13.948 18.601 -13.371 4 2HB MET 1 2HB MET 1 -13.021 18.454 -11.891 5 1HG MET 1 1HG MET 1 -14.629 20.963 -12.541 6 2HG MET 1 2HG MET 1 -15.343 19.594 -11.711 7 1HE MET 1 1HE MET 1 -12.044 22.226 -11.092 8 2HE MET 1 2HE MET 1 -13.652 22.613 -11.749 9 3HE MET 1 3HE MET 1 -13.266 23.001 -10.056 10 H THR 2 H THR 2 -10.099 20.061 -14.649 11 HA THR 2 HA THR 2 -8.057 19.191 -14.535 12 HB THR 2 HB THR 2 -8.614 18.976 -11.530 13 HG1 THR 2 1HG THR 2 -8.828 21.157 -11.902 14 1HG2 THR 2 1HG2 THR 2 -6.442 17.996 -12.064 15 2HG2 THR 2 2HG2 THR 2 -6.083 19.301 -13.219 16 3HG2 THR 2 3HG2 THR 2 -6.138 19.647 -11.474 17 H ARG 3 H ARG 3 -6.833 17.199 -14.417 18 HA ARG 3 HA ARG 3 -8.644 14.995 -14.605 19 1HB ARG 3 1HB ARG 3 -5.754 15.511 -15.326 20 2HB ARG 3 2HB ARG 3 -6.257 13.845 -15.127 21 1HG ARG 3 1HG ARG 3 -7.531 13.858 -17.040 22 2HG ARG 3 2HG ARG 3 -8.143 15.474 -16.747 23 1HD ARG 3 1HD ARG 3 -6.121 16.499 -17.627 24 2HD ARG 3 2HD ARG 3 -5.272 14.966 -17.648 25 HE ARG 3 HE ARG 3 -7.581 14.629 -19.255 26 1HH1 ARG 3 2HH2 ARG 3 -4.639 16.559 -19.277 27 2HH1 ARG 3 1HH2 ARG 3 -4.581 16.683 -21.004 28 1HH2 ARG 3 2HH1 ARG 3 -7.505 14.792 -21.533 29 2HH2 ARG 3 1HH1 ARG 3 -6.223 15.671 -22.296 30 H LEU 4 H LEU 4 -7.407 12.757 -13.759 31 HA LEU 4 HA LEU 4 -7.107 13.232 -10.900 32 1HB LEU 4 1HB LEU 4 -7.585 10.697 -12.472 33 2HB LEU 4 2HB LEU 4 -7.461 10.796 -10.726 34 HG LEU 4 HG LEU 4 -9.519 12.446 -12.168 35 1HD1 LEU 4 1HD1 LEU 4 -11.041 10.366 -11.542 36 2HD1 LEU 4 2HD1 LEU 4 -10.213 10.490 -13.113 37 3HD1 LEU 4 3HD1 LEU 4 -9.522 9.482 -11.819 38 1HD2 LEU 4 1HD2 LEU 4 -10.706 11.673 -9.914 39 2HD2 LEU 4 2HD2 LEU 4 -9.015 11.501 -9.387 40 3HD2 LEU 4 3HD2 LEU 4 -9.606 13.071 -9.983 41 HA PRO 5 HA PRO 5 -2.813 12.693 -11.498 42 1HB PRO 5 1HB PRO 5 -2.037 13.357 -8.963 43 2HB PRO 5 2HB PRO 5 -2.302 14.543 -10.226 44 1HG PRO 5 1HG PRO 5 -4.016 13.891 -7.907 45 2HG PRO 5 2HG PRO 5 -4.035 15.322 -8.919 46 1HD PRO 5 1HD PRO 5 -5.884 13.130 -9.010 47 2HD PRO 5 2HD PRO 5 -5.833 14.504 -10.096 48 H ASP 6 H ASP 6 -1.017 11.774 -9.615 49 HA ASP 6 HA ASP 6 -1.881 9.033 -9.623 50 1HB ASP 6 1HB ASP 6 0.773 10.264 -8.744 51 2HB ASP 6 2HB ASP 6 0.474 8.554 -8.984 52 H ILE 7 H ILE 7 -2.292 7.842 -7.693 53 HA ILE 7 HA ILE 7 -2.818 9.372 -5.356 54 HB ILE 7 HB ILE 7 -2.945 6.431 -6.004 55 1HG1 ILE 7 1HG1 ILE 7 -5.092 8.538 -5.618 56 2HG1 ILE 7 2HG1 ILE 7 -4.576 7.865 -7.151 57 1HG2 ILE 7 1HG2 ILE 7 -4.472 6.805 -3.734 58 2HG2 ILE 7 2HG2 ILE 7 -2.869 6.033 -3.811 59 3HG2 ILE 7 3HG2 ILE 7 -3.007 7.760 -3.401 60 1HD1 ILE 7 1HD1 ILE 7 -5.121 5.597 -5.569 61 2HD1 ILE 7 2HD1 ILE 7 -6.417 6.748 -5.166 62 3HD1 ILE 7 3HD1 ILE 7 -6.153 6.262 -6.858 63 H LYS 8 H LYS 8 -0.385 10.158 -5.531 64 HA LYS 8 HA LYS 8 1.349 8.254 -4.157 65 1HB LYS 8 1HB LYS 8 2.369 9.178 -6.089 66 2HB LYS 8 2HB LYS 8 1.854 10.805 -5.694 67 1HG LYS 8 1HG LYS 8 3.283 10.647 -3.575 68 2HG LYS 8 2HG LYS 8 3.907 9.126 -4.183 69 1HD LYS 8 1HD LYS 8 5.004 10.155 -6.022 70 2HD LYS 8 2HD LYS 8 4.000 11.589 -5.948 71 1HE LYS 8 1HE LYS 8 5.072 11.986 -3.593 72 2HE LYS 8 2HE LYS 8 6.261 10.792 -4.074 73 1HZ LYS 8 1HZ LYS 8 7.270 12.438 -5.106 74 2HZ LYS 8 2HZ LYS 8 6.053 12.484 -6.195 75 3HZ LYS 8 3HZ LYS 8 6.024 13.472 -4.895 76 H LYS 9 H LYS 9 1.522 8.319 -1.987 77 HA LYS 9 HA LYS 9 1.110 10.923 -0.705 78 1HB LYS 9 1HB LYS 9 -0.024 8.287 0.278 79 2HB LYS 9 2HB LYS 9 -0.150 9.835 1.089 80 1HG LYS 9 1HG LYS 9 -1.038 10.017 -1.710 81 2HG LYS 9 2HG LYS 9 -1.935 8.793 -0.833 82 1HD LYS 9 1HD LYS 9 -2.458 10.455 0.961 83 2HD LYS 9 2HD LYS 9 -1.550 11.679 0.096 84 1HE LYS 9 1HE LYS 9 -3.149 11.126 -1.922 85 2HE LYS 9 2HE LYS 9 -4.160 10.353 -0.717 86 1HZ LYS 9 1HZ LYS 9 -3.335 12.864 0.205 87 2HZ LYS 9 2HZ LYS 9 -4.005 13.030 -1.276 88 3HZ LYS 9 3HZ LYS 9 -4.852 12.324 -0.071 89 H GLU 10 H GLU 10 2.026 10.889 1.612 90 HA GLU 10 HA GLU 10 4.111 8.946 1.950 91 1HB GLU 10 1HB GLU 10 5.194 10.680 0.544 92 2HB GLU 10 2HB GLU 10 4.736 11.921 1.693 93 1HG GLU 10 1HG GLU 10 6.246 9.574 2.800 94 2HG GLU 10 2HG GLU 10 7.147 10.655 1.756 95 H VAL 11 H VAL 11 4.453 8.518 4.124 96 HA VAL 11 HA VAL 11 3.482 10.512 6.031 97 HB VAL 11 HB VAL 11 2.542 8.523 7.331 98 1HG1 VAL 11 1HG1 VAL 11 0.938 8.967 4.836 99 2HG1 VAL 11 2HG1 VAL 11 0.428 8.987 6.542 100 3HG1 VAL 11 3HG1 VAL 11 1.332 10.364 5.867 101 1HG2 VAL 11 1HG2 VAL 11 1.991 7.131 4.776 102 2HG2 VAL 11 2HG2 VAL 11 3.664 7.005 5.369 103 3HG2 VAL 11 3HG2 VAL 11 2.313 6.475 6.399 104 H ARG 12 H ARG 12 4.487 10.340 8.149 105 HA ARG 12 HA ARG 12 6.949 8.793 7.988 106 1HB ARG 12 1HB ARG 12 7.362 11.238 7.963 107 2HB ARG 12 2HB ARG 12 6.396 11.446 9.410 108 1HG ARG 12 1HG ARG 12 8.075 9.717 10.490 109 2HG ARG 12 2HG ARG 12 9.109 10.114 9.132 110 1HD ARG 12 1HD ARG 12 9.162 12.472 9.752 111 2HD ARG 12 2HD ARG 12 7.895 12.251 10.943 112 HE ARG 12 HE ARG 12 10.112 10.499 11.531 113 1HH1 ARG 12 2HH2 ARG 12 9.140 13.877 11.701 114 2HH1 ARG 12 1HH2 ARG 12 10.194 14.246 13.025 115 1HH2 ARG 12 2HH1 ARG 12 11.503 10.985 13.278 116 2HH2 ARG 12 1HH1 ARG 12 11.547 12.590 13.928 117 H PHE 13 H PHE 13 7.303 7.294 9.626 118 HA PHE 13 HA PHE 13 5.593 7.535 11.999 119 1HB PHE 13 1HB PHE 13 6.472 5.073 10.374 120 2HB PHE 13 2HB PHE 13 5.586 4.970 11.882 121 HD1 PHE 13 1HD PHE 13 3.628 7.198 11.473 122 HD2 PHE 13 2HD PHE 13 4.969 4.154 8.838 123 HE1 PHE 13 1HE PHE 13 1.463 7.338 10.211 124 HE2 PHE 13 2HE PHE 13 2.804 4.294 7.575 125 HZ PHE 13 HZ PHE 13 1.077 5.884 8.277 126 H ASN 14 H ASN 14 6.510 6.793 13.994 127 HA ASN 14 HA ASN 14 9.372 6.946 13.948 128 1HB ASN 14 1HB ASN 14 7.279 7.608 15.804 129 2HB ASN 14 2HB ASN 14 8.252 6.376 16.583 130 1HD2 ASN 14 1HD2 ASN 14 8.452 8.476 17.918 131 2HD2 ASN 14 2HD2 ASN 14 9.855 9.445 17.615 132 H ALA 15 H ALA 15 10.480 5.010 13.607 133 HA ALA 15 HA ALA 15 10.411 2.886 15.307 134 1HB ALA 15 1HB ALA 15 8.098 2.883 13.592 135 2HB ALA 15 2HB ALA 15 9.144 1.512 13.151 136 3HB ALA 15 3HB ALA 15 8.572 1.691 14.827 137 HA PRO 16 HA PRO 16 13.714 1.872 12.707 138 1HB PRO 16 1HB PRO 16 14.102 -0.795 13.156 139 2HB PRO 16 2HB PRO 16 14.645 0.451 14.262 140 1HG PRO 16 1HG PRO 16 12.341 -1.382 14.523 141 2HG PRO 16 2HG PRO 16 13.144 -0.445 15.767 142 1HD PRO 16 1HD PRO 16 10.627 0.150 14.528 143 2HD PRO 16 2HD PRO 16 11.486 1.145 15.686 144 H ILE 17 H ILE 17 13.936 1.881 10.567 145 HA ILE 17 HA ILE 17 11.910 1.029 8.933 146 HB ILE 17 HB ILE 17 13.680 2.573 8.297 147 1HG1 ILE 17 1HG1 ILE 17 13.672 0.198 6.419 148 2HG1 ILE 17 2HG1 ILE 17 12.300 1.269 6.615 149 1HG2 ILE 17 1HG2 ILE 17 15.890 2.096 8.156 150 2HG2 ILE 17 2HG2 ILE 17 15.454 0.885 9.387 151 3HG2 ILE 17 3HG2 ILE 17 15.614 0.403 7.681 152 1HD1 ILE 17 1HD1 ILE 17 14.736 1.684 5.079 153 2HD1 ILE 17 2HD1 ILE 17 13.245 2.655 5.096 154 3HD1 ILE 17 3HD1 ILE 17 14.536 2.987 6.275 155 H GLU 18 H GLU 18 14.485 -0.824 10.499 156 HA GLU 18 HA GLU 18 14.484 -3.016 8.837 157 1HB GLU 18 1HB GLU 18 15.749 -2.268 11.196 158 2HB GLU 18 2HB GLU 18 14.777 -3.629 11.720 159 1HG GLU 18 1HG GLU 18 15.779 -4.639 9.371 160 2HG GLU 18 2HG GLU 18 17.088 -3.564 9.821 161 H LYS 19 H LYS 19 12.169 -1.932 11.294 162 HA LYS 19 HA LYS 19 10.823 -4.498 11.299 163 1HB LYS 19 1HB LYS 19 11.196 -2.976 13.342 164 2HB LYS 19 2HB LYS 19 9.923 -1.968 12.682 165 1HG LYS 19 1HG LYS 19 8.546 -4.208 12.515 166 2HG LYS 19 2HG LYS 19 9.741 -4.848 13.626 167 1HD LYS 19 1HD LYS 19 9.248 -2.912 15.191 168 2HD LYS 19 2HD LYS 19 7.973 -2.402 14.102 169 1HE LYS 19 1HE LYS 19 6.924 -4.716 14.370 170 2HE LYS 19 2HE LYS 19 8.127 -5.062 15.597 171 1HZ LYS 19 1HZ LYS 19 7.149 -2.687 16.365 172 2HZ LYS 19 2HZ LYS 19 5.816 -3.414 15.764 173 3HZ LYS 19 3HZ LYS 19 6.669 -4.131 16.958 174 H VAL 20 H VAL 20 10.042 -1.043 10.478 175 HA VAL 20 HA VAL 20 7.574 -1.520 9.370 176 HB VAL 20 HB VAL 20 9.608 0.512 8.440 177 1HG1 VAL 20 1HG1 VAL 20 7.857 1.756 7.592 178 2HG1 VAL 20 2HG1 VAL 20 7.283 0.101 7.271 179 3HG1 VAL 20 3HG1 VAL 20 6.655 1.006 8.670 180 1HG2 VAL 20 1HG2 VAL 20 7.860 1.648 10.360 181 2HG2 VAL 20 2HG2 VAL 20 8.480 0.135 11.062 182 3HG2 VAL 20 3HG2 VAL 20 9.615 1.382 10.493 183 H TRP 21 H TRP 21 10.845 -2.042 8.046 184 HA TRP 21 HA TRP 21 10.071 -2.340 5.364 185 1HB TRP 21 1HB TRP 21 12.355 -1.915 5.972 186 2HB TRP 21 2HB TRP 21 12.437 -3.385 6.923 187 HD1 TRP 21 HD TRP 21 13.863 -5.134 5.623 188 HE1 TRP 21 1HE TRP 21 14.208 -5.969 3.143 189 HE3 TRP 21 3HE TRP 21 10.620 -1.840 3.506 190 HZ2 TRP 21 2HZ TRP 21 13.110 -5.176 0.632 191 HZ3 TRP 21 3HZ TRP 21 10.314 -1.937 1.034 192 HH2 TRP 21 HH TRP 21 11.496 -3.531 -0.393 193 H GLU 22 H GLU 22 10.747 -4.756 8.003 194 HA GLU 22 HA GLU 22 9.988 -6.949 6.512 195 1HB GLU 22 1HB GLU 22 10.891 -6.411 9.153 196 2HB GLU 22 2HB GLU 22 9.395 -7.304 9.344 197 1HG GLU 22 1HG GLU 22 10.650 -8.700 7.282 198 2HG GLU 22 2HG GLU 22 12.008 -8.213 8.277 199 H ALA 23 H ALA 23 8.102 -4.462 8.131 200 HA ALA 23 HA ALA 23 5.723 -5.996 8.398 201 1HB ALA 23 1HB ALA 23 4.726 -3.696 8.757 202 2HB ALA 23 2HB ALA 23 6.092 -4.090 9.828 203 3HB ALA 23 3HB ALA 23 6.338 -3.017 8.429 204 H VAL 24 H VAL 24 7.421 -4.567 5.743 205 HA VAL 24 HA VAL 24 4.973 -4.756 4.127 206 HB VAL 24 HB VAL 24 5.860 -3.010 2.715 207 1HG1 VAL 24 1HG1 VAL 24 5.231 -2.624 5.543 208 2HG1 VAL 24 2HG1 VAL 24 6.204 -1.292 4.874 209 3HG1 VAL 24 3HG1 VAL 24 4.658 -1.735 4.111 210 1HG2 VAL 24 1HG2 VAL 24 8.324 -3.701 3.450 211 2HG2 VAL 24 2HG2 VAL 24 7.944 -2.068 2.850 212 3HG2 VAL 24 3HG2 VAL 24 8.090 -2.362 4.600 213 H SER 25 H SER 25 7.509 -6.518 5.011 214 HA SER 25 HA SER 25 8.168 -7.273 2.273 215 1HB SER 25 1HB SER 25 10.334 -7.546 2.903 216 2HB SER 25 2HB SER 25 9.903 -6.596 4.311 217 HG SER 25 HG SER 25 9.418 -8.604 5.442 218 H THR 26 H THR 26 6.809 -8.234 5.384 219 HA THR 26 HA THR 26 6.732 -11.043 4.571 220 HB THR 26 HB THR 26 5.975 -11.341 6.951 221 HG1 THR 26 1HG THR 26 4.966 -9.104 6.871 222 1HG2 THR 26 1HG2 THR 26 8.158 -11.269 7.618 223 2HG2 THR 26 2HG2 THR 26 8.550 -10.375 6.130 224 3HG2 THR 26 3HG2 THR 26 8.118 -9.490 7.612 225 H SER 27 H SER 27 4.509 -12.119 5.379 226 HA SER 27 HA SER 27 2.551 -10.729 3.776 227 1HB SER 27 1HB SER 27 2.869 -13.573 4.765 228 2HB SER 27 2HB SER 27 1.303 -13.020 4.206 229 HG SER 27 HG SER 27 3.061 -14.018 2.645 230 H GLU 28 H GLU 28 2.951 -12.267 7.035 231 HA GLU 28 HA GLU 28 0.410 -11.631 7.937 232 1HB GLU 28 1HB GLU 28 2.775 -12.873 8.956 233 2HB GLU 28 2HB GLU 28 2.329 -11.634 10.112 234 1HG GLU 28 1HG GLU 28 0.211 -13.504 9.004 235 2HG GLU 28 2HG GLU 28 1.254 -14.038 10.307 236 H GLY 29 H GLY 29 3.516 -9.829 7.958 237 1HA GLY 29 1HA GLY 29 2.683 -7.736 9.668 238 2HA GLY 29 2HA GLY 29 4.028 -7.717 8.545 239 H LEU 30 H LEU 30 2.563 -8.259 6.094 240 HA LEU 30 HA LEU 30 1.679 -5.617 5.558 241 1HB LEU 30 1HB LEU 30 2.372 -8.024 4.098 242 2HB LEU 30 2HB LEU 30 0.935 -7.272 3.435 243 HG LEU 30 HG LEU 30 3.063 -5.334 3.975 244 1HD1 LEU 30 1HD1 LEU 30 3.622 -7.630 2.085 245 2HD1 LEU 30 2HD1 LEU 30 4.469 -6.066 2.031 246 3HD1 LEU 30 3HD1 LEU 30 4.592 -7.096 3.478 247 1HD2 LEU 30 1HD2 LEU 30 1.976 -4.265 2.364 248 2HD2 LEU 30 2HD2 LEU 30 2.276 -5.589 1.213 249 3HD2 LEU 30 3HD2 LEU 30 0.846 -5.637 2.272 250 H ALA 31 H ALA 31 0.022 -8.849 5.622 251 HA ALA 31 HA ALA 31 -2.526 -7.877 5.138 252 1HB ALA 31 1HB ALA 31 -3.258 -10.036 5.858 253 2HB ALA 31 2HB ALA 31 -1.653 -10.280 5.129 254 3HB ALA 31 3HB ALA 31 -1.831 -10.252 6.900 255 H PHE 32 H PHE 32 -0.445 -7.476 7.886 256 HA PHE 32 HA PHE 32 -2.348 -7.352 9.922 257 1HB PHE 32 1HB PHE 32 0.410 -7.128 9.582 258 2HB PHE 32 2HB PHE 32 -0.007 -5.455 9.897 259 HD1 PHE 32 1HD PHE 32 -1.960 -5.438 11.933 260 HD2 PHE 32 2HD PHE 32 1.263 -8.156 11.449 261 HE1 PHE 32 1HE PHE 32 -1.987 -5.909 14.399 262 HE2 PHE 32 2HE PHE 32 1.236 -8.627 13.914 263 HZ PHE 32 HZ PHE 32 -0.389 -7.498 15.360 264 H TRP 33 H TRP 33 -1.674 -5.214 7.239 265 HA TRP 33 HA TRP 33 -3.572 -3.303 8.380 266 1HB TRP 33 1HB TRP 33 -2.206 -1.438 7.490 267 2HB TRP 33 2HB TRP 33 -1.497 -2.269 8.860 268 HD1 TRP 33 HD TRP 33 0.635 -3.991 8.219 269 HE1 TRP 33 1HE TRP 33 2.500 -3.872 6.355 270 HE3 TRP 33 3HE TRP 33 -1.828 -0.703 5.222 271 HZ2 TRP 33 2HZ TRP 33 2.731 -2.449 3.893 272 HZ3 TRP 33 3HZ TRP 33 -0.713 0.000 3.107 273 HH2 TRP 33 HH TRP 33 1.487 -0.817 2.425 274 H PHE 34 H PHE 34 -1.623 -4.397 5.519 275 HA PHE 34 HA PHE 34 -3.391 -3.273 3.636 276 1HB PHE 34 1HB PHE 34 -1.076 -3.807 3.059 277 2HB PHE 34 2HB PHE 34 -1.222 -5.435 3.691 278 HD1 PHE 34 1HD PHE 34 -0.729 -6.811 1.883 279 HD2 PHE 34 2HD PHE 34 -3.482 -3.626 1.348 280 HE1 PHE 34 1HE PHE 34 -1.260 -7.657 -0.419 281 HE2 PHE 34 2HE PHE 34 -4.013 -4.473 -0.955 282 HZ PHE 34 HZ PHE 34 -2.895 -6.478 -1.811 283 H MET 35 H MET 35 -2.634 -6.767 3.530 284 HA MET 35 HA MET 35 -5.161 -7.628 4.335 285 1HB MET 35 1HB MET 35 -4.742 -6.928 1.441 286 2HB MET 35 2HB MET 35 -5.506 -8.478 1.726 287 1HG MET 35 1HG MET 35 -7.480 -7.445 2.159 288 2HG MET 35 2HG MET 35 -6.753 -6.583 3.499 289 1HE MET 35 1HE MET 35 -7.341 -5.463 -0.793 290 2HE MET 35 2HE MET 35 -5.592 -5.685 -0.546 291 3HE MET 35 3HE MET 35 -6.722 -6.999 -0.139 292 H GLU 36 H GLU 36 -5.485 -10.046 3.741 293 HA GLU 36 HA GLU 36 -3.172 -11.389 4.392 294 1HB GLU 36 1HB GLU 36 -5.804 -12.334 3.193 295 2HB GLU 36 2HB GLU 36 -4.539 -13.452 3.664 296 1HG GLU 36 1HG GLU 36 -4.663 -11.942 5.938 297 2HG GLU 36 2HG GLU 36 -6.315 -11.754 5.384 298 H ASN 37 H ASN 37 -1.659 -12.630 3.197 299 HA ASN 37 HA ASN 37 -2.003 -13.024 0.434 300 1HB ASN 37 1HB ASN 37 -0.114 -11.616 -0.357 301 2HB ASN 37 2HB ASN 37 -1.345 -10.611 0.382 302 1HD2 ASN 37 1HD2 ASN 37 -1.079 -10.043 2.660 303 2HD2 ASN 37 2HD2 ASN 37 0.509 -9.760 3.291 304 H ASP 38 H ASP 38 0.526 -13.620 -0.420 305 HA ASP 38 HA ASP 38 1.674 -15.164 1.771 306 1HB ASP 38 1HB ASP 38 1.422 -15.929 -1.176 307 2HB ASP 38 2HB ASP 38 2.314 -16.863 0.009 308 H LEU 39 H LEU 39 2.223 -12.413 0.456 309 HA LEU 39 HA LEU 39 4.433 -12.561 -1.214 310 1HB LEU 39 1HB LEU 39 3.020 -10.583 -0.846 311 2HB LEU 39 2HB LEU 39 3.670 -10.417 0.774 312 HG LEU 39 HG LEU 39 5.802 -10.514 -1.205 313 1HD1 LEU 39 1HD1 LEU 39 3.625 -8.450 -1.583 314 2HD1 LEU 39 2HD1 LEU 39 5.297 -8.228 -2.154 315 3HD1 LEU 39 3HD1 LEU 39 4.311 -9.569 -2.786 316 1HD2 LEU 39 1HD2 LEU 39 5.960 -9.736 1.162 317 2HD2 LEU 39 2HD2 LEU 39 6.594 -8.580 -0.033 318 3HD2 LEU 39 3HD2 LEU 39 4.999 -8.308 0.708 319 H LYS 40 H LYS 40 6.722 -12.157 -0.759 320 HA LYS 40 HA LYS 40 7.554 -12.628 1.974 321 1HB LYS 40 1HB LYS 40 7.595 -14.706 -0.094 322 2HB LYS 40 2HB LYS 40 9.174 -14.415 0.607 323 1HG LYS 40 1HG LYS 40 7.921 -14.488 2.918 324 2HG LYS 40 2HG LYS 40 6.614 -15.236 2.022 325 1HD LYS 40 1HD LYS 40 7.759 -17.166 2.551 326 2HD LYS 40 2HD LYS 40 8.643 -16.769 1.091 327 1HE LYS 40 1HE LYS 40 10.337 -15.524 2.495 328 2HE LYS 40 2HE LYS 40 9.474 -16.023 3.936 329 1HZ LYS 40 1HZ LYS 40 10.355 -18.020 2.000 330 2HZ LYS 40 2HZ LYS 40 11.401 -17.434 3.108 331 3HZ LYS 40 3HZ LYS 40 10.047 -18.206 3.593 332 H ALA 41 H ALA 41 7.549 -10.482 -0.195 333 HA ALA 41 HA ALA 41 8.934 -8.998 -1.090 334 1HB ALA 41 1HB ALA 41 9.469 -9.145 1.543 335 2HB ALA 41 2HB ALA 41 11.071 -9.601 0.916 336 3HB ALA 41 3HB ALA 41 10.344 -8.044 0.453 337 H GLU 42 H GLU 42 9.027 -10.839 -2.834 338 HA GLU 42 HA GLU 42 11.844 -11.204 -3.360 339 1HB GLU 42 1HB GLU 42 10.254 -13.335 -2.429 340 2HB GLU 42 2HB GLU 42 10.324 -13.585 -4.162 341 1HG GLU 42 1HG GLU 42 12.617 -13.958 -4.165 342 2HG GLU 42 2HG GLU 42 12.913 -12.854 -2.837 343 H THR 43 H THR 43 12.317 -10.662 -5.462 344 HA THR 43 HA THR 43 10.247 -9.719 -7.140 345 HB THR 43 HB THR 43 12.844 -9.133 -6.887 346 HG1 THR 43 1HG THR 43 12.551 -8.276 -9.081 347 1HG2 THR 43 1HG2 THR 43 12.986 -10.760 -9.425 348 2HG2 THR 43 2HG2 THR 43 14.305 -10.226 -8.356 349 3HG2 THR 43 3HG2 THR 43 13.284 -11.607 -7.888 350 H GLY 44 H GLY 44 9.366 -10.516 -9.055 351 1HA GLY 44 1HA GLY 44 8.613 -12.087 -10.474 352 2HA GLY 44 2HA GLY 44 10.142 -12.920 -10.276 353 H HIS 45 H HIS 45 7.981 -12.180 -7.525 354 HA HIS 45 HA HIS 45 7.801 -15.018 -7.018 355 1HB HIS 45 1HB HIS 45 8.445 -13.435 -5.232 356 2HB HIS 45 2HB HIS 45 6.888 -12.641 -5.372 357 HD1 HIS 45 1HD HIS 45 7.307 -16.423 -5.424 358 HD2 HIS 45 2HD HIS 45 5.915 -13.393 -2.878 359 HE1 HIS 45 1HE HIS 45 6.164 -17.600 -3.470 360 H HIS 46 H HIS 46 5.532 -15.752 -6.080 361 HA HIS 46 HA HIS 46 3.397 -14.526 -7.632 362 1HB HIS 46 1HB HIS 46 2.643 -16.936 -8.174 363 2HB HIS 46 2HB HIS 46 3.899 -16.195 -9.147 364 HD1 HIS 46 1HD HIS 46 6.131 -17.388 -9.278 365 HD2 HIS 46 2HD HIS 46 3.672 -18.870 -6.220 366 HE1 HIS 46 1HE HIS 46 7.291 -19.474 -8.377 367 H PHE 47 H PHE 47 2.070 -13.831 -6.019 368 HA PHE 47 HA PHE 47 1.289 -15.845 -4.049 369 1HB PHE 47 1HB PHE 47 1.452 -14.063 -2.309 370 2HB PHE 47 2HB PHE 47 3.006 -14.241 -3.100 371 HD1 PHE 47 1HD PHE 47 3.597 -12.589 -4.955 372 HD2 PHE 47 2HD PHE 47 0.360 -11.987 -2.278 373 HE1 PHE 47 1HE PHE 47 3.598 -10.140 -5.504 374 HE2 PHE 47 2HE PHE 47 0.361 -9.538 -2.827 375 HZ PHE 47 HZ PHE 47 1.980 -8.644 -4.434 376 H HIS 48 H HIS 48 -0.897 -15.778 -3.441 377 HA HIS 48 HA HIS 48 -2.533 -14.164 -5.184 378 1HB HIS 48 1HB HIS 48 -2.994 -16.513 -3.369 379 2HB HIS 48 2HB HIS 48 -4.357 -15.538 -3.881 380 HD1 HIS 48 1HD HIS 48 -1.448 -17.454 -5.488 381 HD2 HIS 48 2HD HIS 48 -5.388 -16.271 -6.308 382 HE1 HIS 48 1HE HIS 48 -2.068 -18.529 -7.717 383 H LEU 49 H LEU 49 -4.608 -13.178 -4.115 384 HA LEU 49 HA LEU 49 -3.910 -12.027 -1.516 385 1HB LEU 49 1HB LEU 49 -3.255 -10.503 -3.387 386 2HB LEU 49 2HB LEU 49 -4.940 -10.431 -3.863 387 HG LEU 49 HG LEU 49 -5.252 -9.690 -1.315 388 1HD1 LEU 49 1HD1 LEU 49 -2.837 -9.983 -0.806 389 2HD1 LEU 49 2HD1 LEU 49 -2.471 -8.669 -1.949 390 3HD1 LEU 49 3HD1 LEU 49 -3.440 -8.337 -0.493 391 1HD2 LEU 49 1HD2 LEU 49 -5.106 -7.326 -2.093 392 2HD2 LEU 49 2HD2 LEU 49 -4.373 -7.912 -3.605 393 3HD2 LEU 49 3HD2 LEU 49 -6.033 -8.391 -3.176 394 H GLN 50 H GLN 50 -5.522 -12.336 -0.079 395 HA GLN 50 HA GLN 50 -8.075 -13.138 -1.177 396 1HB GLN 50 1HB GLN 50 -6.847 -13.356 1.600 397 2HB GLN 50 2HB GLN 50 -8.522 -13.761 1.281 398 1HG GLN 50 1HG GLN 50 -6.834 -15.032 -0.719 399 2HG GLN 50 2HG GLN 50 -6.217 -15.407 0.878 400 1HE2 GLN 50 1HE2 GLN 50 -8.670 -15.923 -1.438 401 2HE2 GLN 50 2HE2 GLN 50 -9.665 -17.033 -0.555 402 H SER 51 H SER 51 -8.602 -10.897 -1.876 403 HA SER 51 HA SER 51 -8.967 -9.015 0.263 404 1HB SER 51 1HB SER 51 -10.062 -7.865 -2.019 405 2HB SER 51 2HB SER 51 -8.413 -7.658 -1.465 406 HG SER 51 HG SER 51 -9.344 -9.692 -3.310 407 HA PRO 52 HA PRO 52 -13.258 -9.646 0.630 408 1HB PRO 52 1HB PRO 52 -14.263 -7.147 1.091 409 2HB PRO 52 2HB PRO 52 -13.461 -8.100 2.324 410 1HG PRO 52 1HG PRO 52 -12.437 -5.765 0.828 411 2HG PRO 52 2HG PRO 52 -11.845 -6.455 2.326 412 1HD PRO 52 1HD PRO 52 -10.683 -6.755 -0.279 413 2HD PRO 52 2HD PRO 52 -10.159 -7.538 1.198 414 H PHE 53 H PHE 53 -12.073 -7.941 -1.978 415 HA PHE 53 HA PHE 53 -14.733 -7.911 -3.204 416 1HB PHE 53 1HB PHE 53 -12.588 -6.062 -3.043 417 2HB PHE 53 2HB PHE 53 -12.384 -6.758 -4.638 418 HD1 PHE 53 1HD PHE 53 -15.324 -5.663 -2.596 419 HD2 PHE 53 2HD PHE 53 -13.260 -5.437 -6.297 420 HE1 PHE 53 1HE PHE 53 -17.098 -4.130 -3.491 421 HE2 PHE 53 2HE PHE 53 -15.034 -3.904 -7.192 422 HZ PHE 53 HZ PHE 53 -16.932 -3.268 -5.779 423 H GLY 54 H GLY 54 -13.266 -10.412 -2.809 424 1HA GLY 54 1HA GLY 54 -13.233 -12.257 -4.204 425 2HA GLY 54 2HA GLY 54 -13.106 -11.220 -5.610 426 HA PRO 55 HA PRO 55 -8.913 -12.660 -4.075 427 1HB PRO 55 1HB PRO 55 -8.606 -15.153 -5.152 428 2HB PRO 55 2HB PRO 55 -9.068 -14.880 -3.483 429 1HG PRO 55 1HG PRO 55 -10.747 -15.759 -5.752 430 2HG PRO 55 2HG PRO 55 -11.069 -15.886 -4.034 431 1HD PRO 55 1HD PRO 55 -12.211 -13.989 -5.857 432 2HD PRO 55 2HD PRO 55 -12.442 -14.044 -4.121 433 H SER 56 H SER 56 -7.060 -12.142 -5.160 434 HA SER 56 HA SER 56 -7.289 -12.387 -8.035 435 1HB SER 56 1HB SER 56 -7.469 -9.889 -6.576 436 2HB SER 56 2HB SER 56 -5.993 -9.885 -7.520 437 HG SER 56 HG SER 56 -8.559 -9.546 -8.376 438 HA PRO 57 HA PRO 57 -3.155 -13.619 -7.367 439 1HB PRO 57 1HB PRO 57 -2.348 -13.896 -9.963 440 2HB PRO 57 2HB PRO 57 -3.251 -15.128 -9.104 441 1HG PRO 57 1HG PRO 57 -4.195 -13.250 -11.183 442 2HG PRO 57 2HG PRO 57 -4.938 -14.737 -10.627 443 1HD PRO 57 1HD PRO 57 -5.738 -12.064 -9.960 444 2HD PRO 57 2HD PRO 57 -6.406 -13.550 -9.314 445 H CYS 58 H CYS 58 -1.521 -12.472 -6.569 446 HA CYS 58 HA CYS 58 -1.039 -9.959 -7.975 447 1HB CYS 58 1HB CYS 58 -0.442 -10.838 -5.137 448 2HB CYS 58 2HB CYS 58 0.229 -9.378 -5.838 449 HG CYS 58 HG CYS 58 -2.822 -9.631 -6.627 450 H GLN 59 H GLN 59 1.344 -9.306 -8.124 451 HA GLN 59 HA GLN 59 3.187 -11.494 -7.977 452 1HB GLN 59 1HB GLN 59 2.118 -11.729 -10.244 453 2HB GLN 59 2HB GLN 59 2.667 -10.114 -10.648 454 1HG GLN 59 1HG GLN 59 4.792 -10.825 -11.069 455 2HG GLN 59 2HG GLN 59 4.865 -11.754 -9.585 456 1HE2 GLN 59 1HE2 GLN 59 4.984 -11.943 -12.840 457 2HE2 GLN 59 2HE2 GLN 59 4.498 -13.584 -13.113 458 H VAL 60 H VAL 60 5.274 -10.761 -7.542 459 HA VAL 60 HA VAL 60 5.515 -7.923 -7.109 460 HB VAL 60 HB VAL 60 7.475 -10.178 -6.643 461 1HG1 VAL 60 1HG1 VAL 60 8.392 -7.822 -6.744 462 2HG1 VAL 60 2HG1 VAL 60 7.385 -7.451 -5.323 463 3HG1 VAL 60 3HG1 VAL 60 8.664 -8.684 -5.210 464 1HG2 VAL 60 1HG2 VAL 60 6.692 -9.929 -4.234 465 2HG2 VAL 60 2HG2 VAL 60 5.312 -9.008 -4.876 466 3HG2 VAL 60 3HG2 VAL 60 5.550 -10.705 -5.357 467 H THR 61 H THR 61 6.952 -6.513 -8.167 468 HA THR 61 HA THR 61 8.034 -7.599 -10.682 469 HB THR 61 HB THR 61 7.589 -5.383 -11.615 470 HG1 THR 61 1HG THR 61 8.035 -3.985 -9.893 471 1HG2 THR 61 1HG2 THR 61 5.483 -6.959 -10.474 472 2HG2 THR 61 2HG2 THR 61 5.121 -5.262 -10.075 473 3HG2 THR 61 3HG2 THR 61 5.340 -5.750 -11.773 474 H ASP 62 H ASP 62 8.700 -5.812 -7.695 475 HA ASP 62 HA ASP 62 11.465 -6.257 -8.137 476 1HB ASP 62 1HB ASP 62 10.276 -3.652 -8.759 477 2HB ASP 62 2HB ASP 62 11.435 -3.497 -7.454 478 H VAL 63 H VAL 63 12.544 -6.277 -6.080 479 HA VAL 63 HA VAL 63 11.506 -4.907 -3.833 480 HB VAL 63 HB VAL 63 9.788 -6.555 -3.855 481 1HG1 VAL 63 1HG1 VAL 63 10.805 -8.214 -5.319 482 2HG1 VAL 63 2HG1 VAL 63 11.990 -8.638 -4.059 483 3HG1 VAL 63 3HG1 VAL 63 10.262 -8.985 -3.810 484 1HG2 VAL 63 1HG2 VAL 63 11.701 -7.669 -1.811 485 2HG2 VAL 63 2HG2 VAL 63 11.104 -5.998 -1.680 486 3HG2 VAL 63 3HG2 VAL 63 9.954 -7.356 -1.673 487 H GLU 64 H GLU 64 13.444 -4.240 -3.062 488 HA GLU 64 HA GLU 64 15.307 -6.265 -2.299 489 1HB GLU 64 1HB GLU 64 15.958 -5.803 -4.665 490 2HB GLU 64 2HB GLU 64 16.149 -4.104 -4.282 491 1HG GLU 64 1HG GLU 64 18.294 -4.549 -3.697 492 2HG GLU 64 2HG GLU 64 17.677 -5.423 -2.309 493 H ARG 65 H ARG 65 15.426 -5.681 -0.161 494 HA ARG 65 HA ARG 65 15.771 -4.511 1.620 495 1HB ARG 65 1HB ARG 65 17.583 -3.335 -0.354 496 2HB ARG 65 2HB ARG 65 17.082 -2.111 0.795 497 1HG ARG 65 1HG ARG 65 18.730 -2.956 2.131 498 2HG ARG 65 2HG ARG 65 17.586 -4.234 2.489 499 1HD ARG 65 1HD ARG 65 19.249 -5.620 1.727 500 2HD ARG 65 2HD ARG 65 18.638 -5.192 0.141 501 HE ARG 65 HE ARG 65 20.592 -3.970 -0.244 502 1HH1 ARG 65 2HH2 ARG 65 20.206 -4.431 3.224 503 2HH1 ARG 65 1HH2 ARG 65 21.742 -3.735 3.616 504 1HH2 ARG 65 2HH1 ARG 65 22.619 -3.052 0.274 505 2HH2 ARG 65 1HH1 ARG 65 23.124 -2.945 1.927 506 HA PRO 66 HA PRO 66 12.870 -1.261 1.916 507 1HB PRO 66 1HB PRO 66 13.770 0.350 3.932 508 2HB PRO 66 2HB PRO 66 12.965 -1.181 4.215 509 1HG PRO 66 1HG PRO 66 15.839 -0.527 4.450 510 2HG PRO 66 2HG PRO 66 14.964 -1.889 5.121 511 1HD PRO 66 1HD PRO 66 16.685 -1.916 2.826 512 2HD PRO 66 2HD PRO 66 15.720 -3.249 3.429 513 H ILE 67 H ILE 67 13.613 -0.703 -0.352 514 HA ILE 67 HA ILE 67 14.075 2.157 -0.278 515 HB ILE 67 HB ILE 67 15.831 1.867 -2.099 516 1HG1 ILE 67 1HG1 ILE 67 17.093 -0.452 -1.278 517 2HG1 ILE 67 2HG1 ILE 67 15.409 -0.934 -1.327 518 1HG2 ILE 67 1HG2 ILE 67 16.102 2.539 0.396 519 2HG2 ILE 67 2HG2 ILE 67 16.824 0.922 0.576 520 3HG2 ILE 67 3HG2 ILE 67 17.541 2.096 -0.554 521 1HD1 ILE 67 1HD1 ILE 67 16.964 -0.989 -3.522 522 2HD1 ILE 67 2HD1 ILE 67 15.226 -0.614 -3.618 523 3HD1 ILE 67 3HD1 ILE 67 16.423 0.704 -3.635 524 H LYS 68 H LYS 68 13.578 -0.839 -2.242 525 HA LYS 68 HA LYS 68 11.550 0.660 -3.725 526 1HB LYS 68 1HB LYS 68 13.826 0.451 -4.941 527 2HB LYS 68 2HB LYS 68 13.422 -1.244 -5.128 528 1HG LYS 68 1HG LYS 68 11.251 0.693 -5.840 529 2HG LYS 68 2HG LYS 68 12.651 0.701 -6.894 530 1HD LYS 68 1HD LYS 68 12.306 -1.499 -7.618 531 2HD LYS 68 2HD LYS 68 11.501 -1.979 -6.137 532 1HE LYS 68 1HE LYS 68 9.709 -1.880 -7.666 533 2HE LYS 68 2HE LYS 68 9.603 -0.321 -6.874 534 1HZ LYS 68 1HZ LYS 68 9.998 -0.821 -9.554 535 2HZ LYS 68 2HZ LYS 68 9.940 0.632 -8.811 536 3HZ LYS 68 3HZ LYS 68 11.373 -0.124 -9.014 537 H LEU 69 H LEU 69 9.650 -0.451 -4.019 538 HA LEU 69 HA LEU 69 9.621 -3.310 -3.844 539 1HB LEU 69 1HB LEU 69 9.749 -2.617 -1.467 540 2HB LEU 69 2HB LEU 69 8.263 -1.710 -1.671 541 HG LEU 69 HG LEU 69 7.216 -3.961 -2.404 542 1HD1 LEU 69 1HD1 LEU 69 8.242 -5.968 -1.824 543 2HD1 LEU 69 2HD1 LEU 69 9.566 -5.019 -2.542 544 3HD1 LEU 69 3HD1 LEU 69 9.438 -5.172 -0.773 545 1HD2 LEU 69 1HD2 LEU 69 6.378 -4.234 -0.296 546 2HD2 LEU 69 2HD2 LEU 69 7.964 -4.032 0.488 547 3HD2 LEU 69 3HD2 LEU 69 7.091 -2.611 -0.134 548 H SER 70 H SER 70 8.154 -3.976 -5.317 549 HA SER 70 HA SER 70 5.793 -2.333 -5.648 550 1HB SER 70 1HB SER 70 7.416 -1.602 -7.391 551 2HB SER 70 2HB SER 70 7.565 -3.255 -7.955 552 HG SER 70 HG SER 70 6.054 -2.002 -9.239 553 H PHE 71 H PHE 71 3.947 -3.539 -6.484 554 HA PHE 71 HA PHE 71 4.318 -6.320 -7.102 555 1HB PHE 71 1HB PHE 71 3.028 -7.109 -5.174 556 2HB PHE 71 2HB PHE 71 4.275 -6.059 -4.530 557 HD1 PHE 71 1HD PHE 71 3.625 -3.613 -4.060 558 HD2 PHE 71 2HD PHE 71 0.780 -6.697 -4.694 559 HE1 PHE 71 1HE PHE 71 1.869 -2.228 -2.921 560 HE2 PHE 71 2HE PHE 71 -0.976 -5.312 -3.555 561 HZ PHE 71 HZ PHE 71 -0.411 -3.094 -2.682 562 H THR 72 H THR 72 2.693 -7.049 -8.450 563 HA THR 72 HA THR 72 0.683 -5.086 -9.176 564 HB THR 72 HB THR 72 0.367 -6.609 -11.101 565 HG1 THR 72 1HG THR 72 1.235 -8.706 -10.920 566 1HG2 THR 72 1HG2 THR 72 3.326 -6.934 -10.734 567 2HG2 THR 72 2HG2 THR 72 2.426 -6.259 -12.114 568 3HG2 THR 72 3HG2 THR 72 2.719 -5.262 -10.669 569 H TRP 73 H TRP 73 -1.568 -5.412 -9.151 570 HA TRP 73 HA TRP 73 -2.554 -7.784 -7.823 571 1HB TRP 73 1HB TRP 73 -2.049 -6.528 -5.882 572 2HB TRP 73 2HB TRP 73 -2.688 -5.048 -6.569 573 HD1 TRP 73 HD TRP 73 -4.607 -8.434 -6.539 574 HE1 TRP 73 1HE TRP 73 -6.864 -8.217 -5.189 575 HE3 TRP 73 3HE TRP 73 -3.797 -3.680 -4.929 576 HZ2 TRP 73 2HZ TRP 73 -8.030 -6.128 -3.634 577 HZ3 TRP 73 3HZ TRP 73 -5.545 -2.624 -3.499 578 HH2 TRP 73 HH TRP 73 -7.604 -3.769 -2.849 579 H ASP 74 H ASP 74 -4.626 -8.261 -8.581 580 HA ASP 74 HA ASP 74 -6.635 -7.841 -9.439 581 1HB ASP 74 1HB ASP 74 -6.122 -5.294 -8.931 582 2HB ASP 74 2HB ASP 74 -5.732 -5.203 -10.637 583 H THR 75 H THR 75 -3.601 -6.866 -11.086 584 HA THR 75 HA THR 75 -2.884 -7.074 -13.198 585 HB THR 75 HB THR 75 -3.057 -9.434 -14.004 586 HG1 THR 75 1HG THR 75 -4.666 -10.740 -12.969 587 1HG2 THR 75 1HG2 THR 75 -2.655 -8.883 -11.055 588 2HG2 THR 75 2HG2 THR 75 -2.754 -10.577 -11.592 589 3HG2 THR 75 3HG2 THR 75 -1.491 -9.508 -12.248 590 H ASP 76 H ASP 76 -4.298 -5.251 -13.850 591 HA ASP 76 HA ASP 76 -5.757 -6.079 -16.131 592 1HB ASP 76 1HB ASP 76 -7.381 -6.188 -14.075 593 2HB ASP 76 2HB ASP 76 -7.300 -4.437 -14.087 594 H GLY 77 H GLY 77 -5.302 -3.420 -13.680 595 1HA GLY 77 1HA GLY 77 -3.822 -1.752 -15.377 596 2HA GLY 77 2HA GLY 77 -5.503 -1.267 -15.474 597 H TRP 78 H TRP 78 -3.903 -2.729 -12.597 598 HA TRP 78 HA TRP 78 -3.899 -0.114 -11.302 599 1HB TRP 78 1HB TRP 78 -5.583 -2.459 -10.524 600 2HB TRP 78 2HB TRP 78 -4.883 -1.465 -9.261 601 HD1 TRP 78 HD TRP 78 -5.377 1.175 -11.525 602 HE1 TRP 78 1HE TRP 78 -7.725 2.375 -11.447 603 HE3 TRP 78 3HE TRP 78 -7.790 -2.557 -9.054 604 HZ2 TRP 78 2HZ TRP 78 -10.271 1.646 -10.384 605 HZ3 TRP 78 3HZ TRP 78 -10.206 -2.233 -8.534 606 HH2 TRP 78 HH TRP 78 -11.444 -0.220 -9.158 607 H SER 79 H SER 79 -1.917 0.136 -10.360 608 HA SER 79 HA SER 79 -0.683 -2.202 -9.210 609 1HB SER 79 1HB SER 79 1.273 -0.588 -10.719 610 2HB SER 79 2HB SER 79 1.110 -2.329 -10.612 611 HG SER 79 HG SER 79 -0.016 -2.366 -12.442 612 H VAL 80 H VAL 80 0.494 -1.684 -7.341 613 HA VAL 80 HA VAL 80 0.767 1.193 -6.800 614 HB VAL 80 HB VAL 80 -0.856 0.574 -5.318 615 1HG1 VAL 80 1HG1 VAL 80 -0.921 -1.633 -4.131 616 2HG1 VAL 80 2HG1 VAL 80 -1.068 -1.753 -5.901 617 3HG1 VAL 80 3HG1 VAL 80 0.477 -2.145 -5.107 618 1HG2 VAL 80 1HG2 VAL 80 0.078 0.534 -3.137 619 2HG2 VAL 80 2HG2 VAL 80 1.546 -0.304 -3.696 620 3HG2 VAL 80 3HG2 VAL 80 1.258 1.391 -4.157 621 H THR 81 H THR 81 2.709 1.899 -5.823 622 HA THR 81 HA THR 81 4.788 -0.171 -5.586 623 HB THR 81 HB THR 81 5.112 2.616 -6.815 624 HG1 THR 81 1HG THR 81 4.718 -0.109 -7.821 625 1HG2 THR 81 1HG2 THR 81 7.308 1.952 -6.305 626 2HG2 THR 81 2HG2 THR 81 6.899 0.220 -6.353 627 3HG2 THR 81 3HG2 THR 81 7.092 1.131 -7.869 628 H PHE 82 H PHE 82 6.103 -0.062 -3.825 629 HA PHE 82 HA PHE 82 5.449 2.104 -1.964 630 1HB PHE 82 1HB PHE 82 6.498 -0.771 -1.742 631 2HB PHE 82 2HB PHE 82 6.579 0.320 -0.373 632 HD1 PHE 82 1HD PHE 82 4.945 -2.373 -1.069 633 HD2 PHE 82 2HD PHE 82 3.976 1.737 -0.652 634 HE1 PHE 82 1HE PHE 82 2.595 -2.991 -0.437 635 HE2 PHE 82 2HE PHE 82 1.626 1.119 -0.020 636 HZ PHE 82 HZ PHE 82 0.964 -1.237 0.080 637 H HIS 83 H HIS 83 7.190 3.061 -0.688 638 HA HIS 83 HA HIS 83 9.872 2.509 -1.613 639 1HB HIS 83 1HB HIS 83 8.513 5.189 -1.968 640 2HB HIS 83 2HB HIS 83 10.255 4.998 -1.959 641 HD1 HIS 83 1HD HIS 83 10.802 2.650 -3.734 642 HD2 HIS 83 2HD HIS 83 7.756 5.409 -4.572 643 HE1 HIS 83 1HE HIS 83 10.342 2.468 -6.237 644 H LEU 84 H LEU 84 11.134 2.349 0.168 645 HA LEU 84 HA LEU 84 10.287 3.904 2.514 646 1HB LEU 84 1HB LEU 84 11.252 1.083 2.232 647 2HB LEU 84 2HB LEU 84 11.580 1.967 3.709 648 HG LEU 84 HG LEU 84 8.884 2.423 3.360 649 1HD1 LEU 84 1HD1 LEU 84 9.598 -0.209 2.123 650 2HD1 LEU 84 2HD1 LEU 84 8.100 -0.068 3.074 651 3HD1 LEU 84 3HD1 LEU 84 8.356 0.978 1.656 652 1HD2 LEU 84 1HD2 LEU 84 10.039 0.090 4.902 653 2HD2 LEU 84 2HD2 LEU 84 10.178 1.787 5.422 654 3HD2 LEU 84 3HD2 LEU 84 8.573 1.033 5.266 655 H LYS 85 H LYS 85 12.058 4.633 3.939 656 HA LYS 85 HA LYS 85 14.738 4.418 3.143 657 1HB LYS 85 1HB LYS 85 15.142 6.688 2.317 658 2HB LYS 85 2HB LYS 85 14.087 5.790 1.245 659 1HG LYS 85 1HG LYS 85 12.104 6.883 2.484 660 2HG LYS 85 2HG LYS 85 13.275 7.928 3.262 661 1HD LYS 85 1HD LYS 85 13.439 7.701 0.268 662 2HD LYS 85 2HD LYS 85 12.066 8.573 0.920 663 1HE LYS 85 1HE LYS 85 13.445 10.380 1.053 664 2HE LYS 85 2HE LYS 85 14.184 9.588 2.431 665 1HZ LYS 85 1HZ LYS 85 15.981 9.127 1.245 666 2HZ LYS 85 2HZ LYS 85 15.150 8.621 -0.066 667 3HZ LYS 85 3HZ LYS 85 15.442 10.213 0.151 668 H GLU 86 H GLU 86 15.719 4.469 5.085 669 HA GLU 86 HA GLU 86 14.419 5.383 7.344 670 1HB GLU 86 1HB GLU 86 16.447 3.733 7.025 671 2HB GLU 86 2HB GLU 86 17.436 5.172 7.170 672 1HG GLU 86 1HG GLU 86 15.309 4.948 9.240 673 2HG GLU 86 2HG GLU 86 16.507 3.670 9.304 674 H GLU 87 H GLU 87 14.506 7.312 8.540 675 HA GLU 87 HA GLU 87 15.894 9.473 7.161 676 1HB GLU 87 1HB GLU 87 13.183 9.232 7.901 677 2HB GLU 87 2HB GLU 87 13.858 10.329 9.089 678 1HG GLU 87 1HG GLU 87 14.827 10.938 6.375 679 2HG GLU 87 2HG GLU 87 13.077 10.981 6.460 680 H GLU 88 H GLU 88 15.959 11.447 9.078 681 HA GLU 88 HA GLU 88 18.141 10.994 10.490 682 1HB GLU 88 1HB GLU 88 15.761 12.765 10.941 683 2HB GLU 88 2HB GLU 88 16.919 12.649 12.252 684 1HG GLU 88 1HG GLU 88 18.358 12.940 9.744 685 2HG GLU 88 2HG GLU 88 17.138 14.193 9.849 686 H ASN 89 H ASN 89 14.965 10.993 12.258 687 HA ASN 89 HA ASN 89 15.982 8.689 13.723 688 1HB ASN 89 1HB ASN 89 15.824 11.136 14.879 689 2HB ASN 89 2HB ASN 89 14.147 10.670 15.084 690 1HD2 ASN 89 1HD2 ASN 89 17.472 9.947 15.851 691 2HD2 ASN 89 2HD2 ASN 89 17.196 8.884 17.191 692 H GLY 90 H GLY 90 14.441 8.155 11.559 693 1HA GLY 90 1HA GLY 90 12.145 6.909 12.545 694 2HA GLY 90 2HA GLY 90 11.650 8.438 11.847 695 H THR 91 H THR 91 10.617 6.301 10.590 696 HA THR 91 HA THR 91 12.366 5.863 8.260 697 HB THR 91 HB THR 91 10.109 4.184 9.474 698 HG1 THR 91 1HG THR 91 12.256 4.188 10.520 699 1HG2 THR 91 1HG2 THR 91 10.126 3.804 7.045 700 2HG2 THR 91 2HG2 THR 91 11.905 3.746 7.032 701 3HG2 THR 91 3HG2 THR 91 10.978 2.449 7.824 702 H ILE 92 H ILE 92 11.626 6.265 6.193 703 HA ILE 92 HA ILE 92 9.191 7.885 6.138 704 HB ILE 92 HB ILE 92 11.611 7.733 4.350 705 1HG1 ILE 92 1HG1 ILE 92 12.040 9.055 6.273 706 2HG1 ILE 92 2HG1 ILE 92 11.743 10.167 4.952 707 1HG2 ILE 92 1HG2 ILE 92 10.389 8.383 2.618 708 2HG2 ILE 92 2HG2 ILE 92 8.914 8.410 3.613 709 3HG2 ILE 92 3HG2 ILE 92 9.950 9.854 3.518 710 1HD1 ILE 92 1HD1 ILE 92 10.431 11.086 6.673 711 2HD1 ILE 92 2HD1 ILE 92 9.238 10.108 5.785 712 3HD1 ILE 92 3HD1 ILE 92 9.951 9.488 7.294 713 H PHE 93 H PHE 93 7.396 7.267 4.997 714 HA PHE 93 HA PHE 93 7.691 4.831 3.386 715 1HB PHE 93 1HB PHE 93 6.574 4.633 5.727 716 2HB PHE 93 2HB PHE 93 5.325 5.714 5.141 717 HD1 PHE 93 1HD PHE 93 6.148 2.373 5.626 718 HD2 PHE 93 2HD PHE 93 4.250 4.921 2.813 719 HE1 PHE 93 1HE PHE 93 4.885 0.411 4.702 720 HE2 PHE 93 2HE PHE 93 2.986 2.959 1.889 721 HZ PHE 93 HZ PHE 93 3.319 0.727 2.845 722 H THR 94 H THR 94 7.261 5.287 1.283 723 HA THR 94 HA THR 94 5.169 7.298 0.760 724 HB THR 94 HB THR 94 7.711 6.694 -0.843 725 HG1 THR 94 1HG THR 94 8.347 8.716 0.170 726 1HG2 THR 94 1HG2 THR 94 6.355 7.755 -2.433 727 2HG2 THR 94 2HG2 THR 94 5.348 8.541 -1.193 728 3HG2 THR 94 3HG2 THR 94 6.963 9.187 -1.570 729 H ILE 95 H ILE 95 3.548 6.793 -0.644 730 HA ILE 95 HA ILE 95 3.727 4.102 -1.810 731 HB ILE 95 HB ILE 95 2.140 3.887 -0.152 732 1HG1 ILE 95 1HG1 ILE 95 1.376 3.466 -2.646 733 2HG1 ILE 95 2HG1 ILE 95 0.275 3.248 -1.300 734 1HG2 ILE 95 1HG2 ILE 95 1.206 6.678 -0.848 735 2HG2 ILE 95 2HG2 ILE 95 0.316 5.581 0.235 736 3HG2 ILE 95 3HG2 ILE 95 1.961 6.112 0.661 737 1HD1 ILE 95 1HD1 ILE 95 -0.728 5.437 -1.656 738 2HD1 ILE 95 2HD1 ILE 95 0.513 5.860 -2.860 739 3HD1 ILE 95 3HD1 ILE 95 -0.684 4.593 -3.223 740 H VAL 96 H VAL 96 2.900 3.815 -3.940 741 HA VAL 96 HA VAL 96 2.072 6.247 -5.315 742 HB VAL 96 HB VAL 96 4.333 4.476 -6.261 743 1HG1 VAL 96 1HG1 VAL 96 4.188 7.018 -7.583 744 2HG1 VAL 96 2HG1 VAL 96 4.035 5.384 -8.274 745 3HG1 VAL 96 3HG1 VAL 96 2.592 6.233 -7.667 746 1HG2 VAL 96 1HG2 VAL 96 4.358 7.230 -4.994 747 2HG2 VAL 96 2HG2 VAL 96 5.173 5.753 -4.425 748 3HG2 VAL 96 3HG2 VAL 96 5.726 6.557 -5.914 749 H HIS 97 H HIS 97 0.091 5.690 -6.061 750 HA HIS 97 HA HIS 97 -0.098 3.076 -7.364 751 1HB HIS 97 1HB HIS 97 -1.188 2.920 -5.196 752 2HB HIS 97 2HB HIS 97 -2.130 4.361 -5.520 753 HD1 HIS 97 1HD HIS 97 -4.455 3.887 -6.274 754 HD2 HIS 97 2HD HIS 97 -1.802 0.822 -7.352 755 HE1 HIS 97 1HE HIS 97 -5.863 2.093 -7.420 756 H SER 98 H SER 98 -0.426 3.383 -9.503 757 HA SER 98 HA SER 98 -2.008 5.727 -10.224 758 1HB SER 98 1HB SER 98 0.305 4.421 -11.722 759 2HB SER 98 2HB SER 98 -0.716 5.668 -12.411 760 HG SER 98 HG SER 98 0.858 6.908 -11.563 761 H GLY 99 H GLY 99 -2.859 5.342 -12.688 762 1HA GLY 99 1HA GLY 99 -3.544 3.565 -14.205 763 2HA GLY 99 2HA GLY 99 -3.917 2.580 -12.804 764 H TRP 100 H TRP 100 -4.619 6.025 -13.761 765 HA TRP 100 HA TRP 100 -7.465 5.393 -13.565 766 1HB TRP 100 1HB TRP 100 -6.250 7.791 -12.191 767 2HB TRP 100 2HB TRP 100 -7.930 7.292 -12.185 768 HD1 TRP 100 HD TRP 100 -4.511 5.953 -10.860 769 HE1 TRP 100 1HE TRP 100 -4.858 4.544 -8.656 770 HE3 TRP 100 3HE TRP 100 -9.590 6.182 -10.889 771 HZ2 TRP 100 2HZ TRP 100 -7.167 3.703 -7.205 772 HZ3 TRP 100 3HZ TRP 100 -10.815 5.040 -9.042 773 HH2 TRP 100 HH TRP 100 -9.685 3.832 -7.243 774 H LYS 101 H LYS 101 -8.763 7.274 -14.565 775 HA LYS 101 HA LYS 101 -7.155 8.455 -16.721 776 1HB LYS 101 1HB LYS 101 -10.046 7.540 -16.764 777 2HB LYS 101 2HB LYS 101 -9.233 8.368 -18.076 778 1HG LYS 101 1HG LYS 101 -7.466 6.481 -17.994 779 2HG LYS 101 2HG LYS 101 -8.562 5.625 -16.927 780 1HD LYS 101 1HD LYS 101 -9.890 4.985 -18.659 781 2HD LYS 101 2HD LYS 101 -10.005 6.625 -19.267 782 1HE LYS 101 1HE LYS 101 -7.712 6.345 -20.317 783 2HE LYS 101 2HE LYS 101 -7.715 4.672 -19.796 784 1HZ LYS 101 1HZ LYS 101 -9.939 5.715 -21.372 785 2HZ LYS 101 2HZ LYS 101 -8.562 5.234 -22.108 786 3HZ LYS 101 3HZ LYS 101 -9.428 4.171 -21.221 787 H GLN 102 H GLN 102 -9.032 10.290 -17.686 788 HA GLN 102 HA GLN 102 -8.609 12.392 -15.968 789 1HB GLN 102 1HB GLN 102 -10.093 13.665 -17.462 790 2HB GLN 102 2HB GLN 102 -9.032 12.630 -18.397 791 1HG GLN 102 1HG GLN 102 -10.780 11.047 -18.848 792 2HG GLN 102 2HG GLN 102 -11.806 11.688 -17.581 793 1HE2 GLN 102 1HE2 GLN 102 -13.497 11.954 -19.035 794 2HE2 GLN 102 2HE2 GLN 102 -13.559 13.252 -20.181 795 H GLY 103 H GLY 103 -10.078 13.659 -14.632 796 1HA GLY 103 1HA GLY 103 -11.829 12.034 -13.067 797 2HA GLY 103 2HA GLY 103 -11.517 13.749 -12.892 798 H ASP 104 H ASP 104 -13.330 11.325 -14.858 799 HA ASP 104 HA ASP 104 -15.621 12.938 -14.787 800 1HB ASP 104 1HB ASP 104 -13.814 13.468 -16.932 801 2HB ASP 104 2HB ASP 104 -15.117 12.532 -17.635 802 H THR 105 H THR 105 -13.835 10.524 -16.859 803 HA THR 105 HA THR 105 -15.940 8.989 -17.689 804 HB THR 105 HB THR 105 -13.477 8.849 -18.340 805 HG1 THR 105 1HG THR 105 -14.620 7.062 -19.058 806 1HG2 THR 105 1HG2 THR 105 -12.465 6.831 -16.822 807 2HG2 THR 105 2HG2 THR 105 -12.106 8.540 -16.478 808 3HG2 THR 105 3HG2 THR 105 -13.377 7.696 -15.561 809 H LYS 106 H LYS 106 -16.226 6.551 -16.951 810 HA LYS 106 HA LYS 106 -16.468 6.514 -14.036 811 1HB LYS 106 1HB LYS 106 -18.637 7.207 -14.697 812 2HB LYS 106 2HB LYS 106 -18.683 6.089 -16.045 813 1HG LYS 106 1HG LYS 106 -18.682 4.160 -14.473 814 2HG LYS 106 2HG LYS 106 -18.569 5.252 -13.108 815 1HD LYS 106 1HD LYS 106 -20.862 5.030 -13.113 816 2HD LYS 106 2HD LYS 106 -20.762 6.325 -14.290 817 1HE LYS 106 1HE LYS 106 -20.501 4.349 -16.046 818 2HE LYS 106 2HE LYS 106 -21.192 3.363 -14.773 819 1HZ LYS 106 1HZ LYS 106 -22.983 5.086 -14.669 820 2HZ LYS 106 2HZ LYS 106 -22.396 5.700 -16.064 821 3HZ LYS 106 3HZ LYS 106 -22.965 4.170 -16.021 822 H VAL 107 H VAL 107 -16.660 4.298 -13.156 823 HA VAL 107 HA VAL 107 -15.164 2.465 -14.862 824 HB VAL 107 HB VAL 107 -15.782 2.174 -11.927 825 1HG1 VAL 107 1HG1 VAL 107 -14.702 0.370 -13.595 826 2HG1 VAL 107 2HG1 VAL 107 -13.227 1.273 -13.172 827 3HG1 VAL 107 3HG1 VAL 107 -14.209 0.522 -11.891 828 1HG2 VAL 107 1HG2 VAL 107 -14.176 4.222 -13.187 829 2HG2 VAL 107 2HG2 VAL 107 -14.548 3.974 -11.464 830 3HG2 VAL 107 3HG2 VAL 107 -13.152 3.152 -12.201 831 H GLU 108 H GLU 108 -16.152 0.784 -15.856 832 HA GLU 108 HA GLU 108 -18.906 0.316 -15.151 833 1HB GLU 108 1HB GLU 108 -18.922 -1.068 -17.244 834 2HB GLU 108 2HB GLU 108 -18.429 0.591 -17.518 835 1HG GLU 108 1HG GLU 108 -16.119 -1.099 -16.859 836 2HG GLU 108 2HG GLU 108 -16.997 -1.743 -18.232 837 H LYS 109 H LYS 109 -17.816 -0.543 -12.982 838 HA LYS 109 HA LYS 109 -18.149 -3.340 -13.016 839 1HB LYS 109 1HB LYS 109 -15.676 -2.767 -13.906 840 2HB LYS 109 2HB LYS 109 -15.355 -2.720 -12.184 841 1HG LYS 109 1HG LYS 109 -15.567 -4.982 -11.970 842 2HG LYS 109 2HG LYS 109 -17.045 -5.021 -12.910 843 1HD LYS 109 1HD LYS 109 -15.950 -5.517 -14.871 844 2HD LYS 109 2HD LYS 109 -14.612 -4.441 -14.519 845 1HE LYS 109 1HE LYS 109 -14.488 -6.569 -12.594 846 2HE LYS 109 2HE LYS 109 -14.766 -7.316 -14.155 847 1HZ LYS 109 1HZ LYS 109 -12.727 -5.246 -13.817 848 2HZ LYS 109 2HZ LYS 109 -12.402 -6.815 -13.502 849 3HZ LYS 109 3HZ LYS 109 -12.852 -6.361 -15.004 850 H ALA 110 H ALA 110 -15.950 -1.229 -11.055 851 HA ALA 110 HA ALA 110 -16.735 -2.044 -8.611 852 1HB ALA 110 1HB ALA 110 -15.794 -0.008 -7.792 853 2HB ALA 110 2HB ALA 110 -14.924 -0.373 -9.302 854 3HB ALA 110 3HB ALA 110 -16.200 0.867 -9.288 855 H GLY 111 H GLY 111 -18.021 1.046 -10.028 856 1HA GLY 111 1HA GLY 111 -20.660 0.657 -10.080 857 2HA GLY 111 2HA GLY 111 -20.385 0.800 -8.355 858 H ALA 112 H ALA 112 -18.519 2.726 -7.980 859 HA ALA 112 HA ALA 112 -19.913 5.078 -8.916 860 1HB ALA 112 1HB ALA 112 -17.797 5.927 -7.363 861 2HB ALA 112 2HB ALA 112 -19.417 5.520 -6.749 862 3HB ALA 112 3HB ALA 112 -18.117 4.306 -6.702 863 H GLU 113 H GLU 113 -18.527 7.007 -9.649 864 HA GLU 113 HA GLU 113 -17.183 6.231 -11.953 865 1HB GLU 113 1HB GLU 113 -17.179 8.912 -10.496 866 2HB GLU 113 2HB GLU 113 -16.612 8.668 -12.136 867 1HG GLU 113 1HG GLU 113 -18.731 8.629 -12.983 868 2HG GLU 113 2HG GLU 113 -19.302 7.537 -11.737 869 H SER 114 H SER 114 -14.853 7.222 -12.453 870 HA SER 114 HA SER 114 -13.111 5.847 -10.740 871 1HB SER 114 1HB SER 114 -13.033 6.726 -13.360 872 2HB SER 114 2HB SER 114 -11.927 7.849 -12.593 873 HG SER 114 HG SER 114 -11.620 5.119 -11.885 874 H ALA 115 H ALA 115 -14.341 9.140 -10.914 875 HA ALA 115 HA ALA 115 -12.191 10.358 -9.503 876 1HB ALA 115 1HB ALA 115 -14.237 11.256 -11.047 877 2HB ALA 115 2HB ALA 115 -14.920 11.550 -9.430 878 3HB ALA 115 3HB ALA 115 -13.363 12.282 -9.884 879 H VAL 116 H VAL 116 -15.512 9.191 -8.623 880 HA VAL 116 HA VAL 116 -15.289 9.862 -5.914 881 HB VAL 116 HB VAL 116 -16.963 7.809 -7.370 882 1HG1 VAL 116 1HG1 VAL 116 -18.058 7.269 -5.466 883 2HG1 VAL 116 2HG1 VAL 116 -16.549 7.794 -4.680 884 3HG1 VAL 116 3HG1 VAL 116 -17.928 8.914 -4.798 885 1HG2 VAL 116 1HG2 VAL 116 -17.103 10.379 -7.862 886 2HG2 VAL 116 2HG2 VAL 116 -18.594 9.434 -7.633 887 3HG2 VAL 116 3HG2 VAL 116 -17.964 10.437 -6.305 888 H VAL 117 H VAL 117 -14.571 6.838 -7.760 889 HA VAL 117 HA VAL 117 -13.886 5.335 -5.485 890 HB VAL 117 HB VAL 117 -13.013 5.030 -8.365 891 1HG1 VAL 117 1HG1 VAL 117 -13.164 2.512 -7.458 892 2HG1 VAL 117 2HG1 VAL 117 -11.678 3.485 -7.344 893 3HG1 VAL 117 3HG1 VAL 117 -12.748 3.327 -5.931 894 1HG2 VAL 117 1HG2 VAL 117 -15.006 4.068 -8.888 895 2HG2 VAL 117 2HG2 VAL 117 -15.244 3.406 -7.253 896 3HG2 VAL 117 3HG2 VAL 117 -15.589 5.122 -7.577 897 H HIS 118 H HIS 118 -11.940 7.254 -7.863 898 HA HIS 118 HA HIS 118 -9.457 6.655 -6.905 899 1HB HIS 118 1HB HIS 118 -9.708 7.867 -8.933 900 2HB HIS 118 2HB HIS 118 -10.586 9.165 -8.148 901 HD1 HIS 118 1HD HIS 118 -7.110 7.865 -8.743 902 HD2 HIS 118 2HD HIS 118 -8.979 11.050 -6.752 903 HE1 HIS 118 1HE HIS 118 -5.262 9.520 -8.150 904 H GLU 119 H GLU 119 -11.676 9.320 -5.834 905 HA GLU 119 HA GLU 119 -9.949 10.260 -3.879 906 1HB GLU 119 1HB GLU 119 -12.749 10.670 -4.700 907 2HB GLU 119 2HB GLU 119 -12.532 10.856 -2.971 908 1HG GLU 119 1HG GLU 119 -10.335 12.235 -3.911 909 2HG GLU 119 2HG GLU 119 -11.479 12.530 -5.206 910 H ARG 120 H ARG 120 -12.737 7.946 -3.716 911 HA ARG 120 HA ARG 120 -12.710 7.563 -1.023 912 1HB ARG 120 1HB ARG 120 -13.661 6.070 -3.413 913 2HB ARG 120 2HB ARG 120 -13.362 5.041 -2.027 914 1HG ARG 120 1HG ARG 120 -14.698 7.227 -0.895 915 2HG ARG 120 2HG ARG 120 -15.491 7.051 -2.448 916 1HD ARG 120 1HD ARG 120 -16.612 5.675 -0.700 917 2HD ARG 120 2HD ARG 120 -15.970 4.669 -1.984 918 HE ARG 120 HE ARG 120 -13.933 4.888 -0.022 919 1HH1 ARG 120 2HH2 ARG 120 -17.178 3.556 -0.297 920 2HH1 ARG 120 1HH2 ARG 120 -16.907 2.316 0.881 921 1HH2 ARG 120 2HH1 ARG 120 -13.574 3.252 1.532 922 2HH2 ARG 120 1HH1 ARG 120 -14.843 2.142 1.928 923 H MET 121 H MET 121 -11.158 5.432 -3.547 924 HA MET 121 HA MET 121 -9.840 3.815 -1.770 925 1HB MET 121 1HB MET 121 -9.598 4.582 -4.667 926 2HB MET 121 2HB MET 121 -8.174 3.829 -3.978 927 1HG MET 121 1HG MET 121 -10.836 2.533 -3.409 928 2HG MET 121 2HG MET 121 -10.194 2.374 -5.031 929 1HE MET 121 1HE MET 121 -8.568 0.894 -5.765 930 2HE MET 121 2HE MET 121 -7.903 -0.444 -4.797 931 3HE MET 121 3HE MET 121 -9.664 -0.281 -4.999 932 H ASP 122 H ASP 122 -8.740 6.862 -3.385 933 HA ASP 122 HA ASP 122 -6.153 6.850 -2.632 934 1HB ASP 122 1HB ASP 122 -7.082 8.598 -4.053 935 2HB ASP 122 2HB ASP 122 -8.153 9.146 -2.779 936 H ARG 123 H ARG 123 -9.001 8.251 -0.833 937 HA ARG 123 HA ARG 123 -7.593 9.093 1.358 938 1HB ARG 123 1HB ARG 123 -10.326 8.903 0.546 939 2HB ARG 123 2HB ARG 123 -10.248 8.123 2.114 940 1HG ARG 123 1HG ARG 123 -8.644 10.512 2.263 941 2HG ARG 123 2HG ARG 123 -10.163 10.949 1.506 942 1HD ARG 123 1HD ARG 123 -11.424 9.906 3.385 943 2HD ARG 123 2HD ARG 123 -9.922 9.399 4.132 944 HE ARG 123 HE ARG 123 -9.596 11.584 4.911 945 1HH1 ARG 123 2HH2 ARG 123 -12.009 11.620 2.350 946 2HH1 ARG 123 1HH2 ARG 123 -12.421 13.286 2.587 947 1HH2 ARG 123 2HH1 ARG 123 -10.139 13.781 5.224 948 2HH2 ARG 123 1HH1 ARG 123 -11.350 14.523 4.233 949 H GLY 124 H GLY 124 -9.285 5.953 0.706 950 1HA GLY 124 1HA GLY 124 -8.858 4.764 3.202 951 2HA GLY 124 2HA GLY 124 -9.137 3.936 1.683 952 H TRP 125 H TRP 125 -6.797 5.030 0.261 953 HA TRP 125 HA TRP 125 -4.905 3.113 1.054 954 1HB TRP 125 1HB TRP 125 -5.194 5.161 -1.027 955 2HB TRP 125 2HB TRP 125 -3.535 4.889 -0.533 956 HD1 TRP 125 HD TRP 125 -6.039 3.506 -2.866 957 HE1 TRP 125 1HE TRP 125 -5.369 1.161 -3.872 958 HE3 TRP 125 3HE TRP 125 -2.301 2.564 0.450 959 HZ2 TRP 125 2HZ TRP 125 -3.395 -0.782 -3.183 960 HZ3 TRP 125 3HZ TRP 125 -1.052 0.420 0.213 961 HH2 TRP 125 HH TRP 125 -1.547 -1.225 -1.526 962 H HIS 126 H HIS 126 -4.992 6.743 1.285 963 HA HIS 126 HA HIS 126 -2.600 6.962 2.681 964 1HB HIS 126 1HB HIS 126 -3.880 8.770 1.473 965 2HB HIS 126 2HB HIS 126 -4.981 8.827 2.835 966 HD1 HIS 126 1HD HIS 126 -1.138 8.801 2.643 967 HD2 HIS 126 2HD HIS 126 -4.291 10.981 4.345 968 HE1 HIS 126 1HE HIS 126 -0.060 10.657 4.023 969 H ASP 127 H ASP 127 -6.029 6.952 3.889 970 HA ASP 127 HA ASP 127 -5.473 7.173 6.527 971 1HB ASP 127 1HB ASP 127 -7.636 5.713 4.984 972 2HB ASP 127 2HB ASP 127 -7.611 5.610 6.733 973 H LEU 128 H LEU 128 -5.387 4.305 4.354 974 HA LEU 128 HA LEU 128 -5.069 2.393 6.410 975 1HB LEU 128 1HB LEU 128 -5.940 1.679 4.347 976 2HB LEU 128 2HB LEU 128 -4.631 2.404 3.435 977 HG LEU 128 HG LEU 128 -3.061 0.733 4.416 978 1HD1 LEU 128 1HD1 LEU 128 -5.015 -1.216 5.239 979 2HD1 LEU 128 2HD1 LEU 128 -3.611 -0.573 6.123 980 3HD1 LEU 128 3HD1 LEU 128 -5.179 0.265 6.212 981 1HD2 LEU 128 1HD2 LEU 128 -3.884 0.319 2.221 982 2HD2 LEU 128 2HD2 LEU 128 -3.959 -1.220 3.112 983 3HD2 LEU 128 3HD2 LEU 128 -5.442 -0.274 2.844 984 H VAL 129 H VAL 129 -2.884 4.549 4.612 985 HA VAL 129 HA VAL 129 -0.626 3.284 5.995 986 HB VAL 129 HB VAL 129 -0.759 3.484 3.434 987 1HG1 VAL 129 1HG1 VAL 129 -1.211 6.165 4.022 988 2HG1 VAL 129 2HG1 VAL 129 0.489 6.125 3.494 989 3HG1 VAL 129 3HG1 VAL 129 -0.789 5.486 2.432 990 1HG2 VAL 129 1HG2 VAL 129 1.624 4.457 5.039 991 2HG2 VAL 129 2HG2 VAL 129 1.270 2.796 4.506 992 3HG2 VAL 129 3HG2 VAL 129 1.696 4.043 3.309 993 H ASN 130 H ASN 130 -2.554 5.000 7.352 994 HA ASN 130 HA ASN 130 -0.816 7.300 7.799 995 1HB ASN 130 1HB ASN 130 -3.554 7.273 7.078 996 2HB ASN 130 2HB ASN 130 -3.580 7.584 8.803 997 1HD2 ASN 130 1HD2 ASN 130 -2.360 8.648 5.691 998 2HD2 ASN 130 2HD2 ASN 130 -2.024 10.295 6.111 999 H GLU 131 H GLU 131 -3.450 5.267 9.307 1000 HA GLU 131 HA GLU 131 -1.945 5.438 11.801 1001 1HB GLU 131 1HB GLU 131 -4.910 4.813 11.622 1002 2HB GLU 131 2HB GLU 131 -4.000 5.351 13.020 1003 1HG GLU 131 1HG GLU 131 -3.582 7.350 11.036 1004 2HG GLU 131 2HG GLU 131 -5.285 6.948 10.937 1005 H ARG 132 H ARG 132 -4.240 3.329 9.925 1006 HA ARG 132 HA ARG 132 -4.089 1.070 11.260 1007 1HB ARG 132 1HB ARG 132 -3.880 1.468 8.239 1008 2HB ARG 132 2HB ARG 132 -4.135 -0.111 8.955 1009 1HG ARG 132 1HG ARG 132 -5.973 1.969 10.006 1010 2HG ARG 132 2HG ARG 132 -6.145 1.694 8.284 1011 1HD ARG 132 1HD ARG 132 -6.975 -0.443 8.564 1012 2HD ARG 132 2HD ARG 132 -5.918 -0.794 9.917 1013 HE ARG 132 HE ARG 132 -7.969 1.199 10.553 1014 1HH1 ARG 132 2HH2 ARG 132 -7.251 -2.242 10.389 1015 2HH1 ARG 132 1HH2 ARG 132 -8.477 -2.683 11.531 1016 1HH2 ARG 132 2HH1 ARG 132 -9.586 0.618 12.060 1017 2HH2 ARG 132 1HH1 ARG 132 -9.814 -1.045 12.488 1018 H LEU 133 H LEU 133 -1.722 1.915 8.614 1019 HA LEU 133 HA LEU 133 -0.008 -0.228 9.173 1020 1HB LEU 133 1HB LEU 133 0.069 0.713 7.035 1021 2HB LEU 133 2HB LEU 133 0.241 2.346 7.647 1022 HG LEU 133 HG LEU 133 2.528 1.583 8.556 1023 1HD1 LEU 133 1HD1 LEU 133 3.241 -0.299 6.668 1024 2HD1 LEU 133 2HD1 LEU 133 2.933 -0.606 8.394 1025 3HD1 LEU 133 3HD1 LEU 133 1.635 -0.851 7.202 1026 1HD2 LEU 133 1HD2 LEU 133 1.876 2.965 6.402 1027 2HD2 LEU 133 2HD2 LEU 133 3.552 2.449 6.704 1028 3HD2 LEU 133 3HD2 LEU 133 2.530 1.536 5.567 1029 H ARG 134 H ARG 134 -0.083 3.208 10.267 1030 HA ARG 134 HA ARG 134 2.320 3.274 11.512 1031 1HB ARG 134 1HB ARG 134 0.633 5.172 11.227 1032 2HB ARG 134 2HB ARG 134 -0.259 4.521 12.588 1033 1HG ARG 134 1HG ARG 134 2.522 4.729 13.356 1034 2HG ARG 134 2HG ARG 134 2.042 6.252 12.634 1035 1HD ARG 134 1HD ARG 134 0.159 4.983 14.624 1036 2HD ARG 134 2HD ARG 134 1.617 5.734 15.241 1037 HE ARG 134 HE ARG 134 0.443 7.556 13.397 1038 1HH1 ARG 134 2HH2 ARG 134 -0.280 6.119 16.527 1039 2HH1 ARG 134 1HH2 ARG 134 -1.233 7.461 17.066 1040 1HH2 ARG 134 2HH1 ARG 134 -0.814 9.327 14.108 1041 2HH2 ARG 134 1HH1 ARG 134 -1.539 9.299 15.681 1042 H GLN 135 H GLN 135 -0.784 1.837 12.593 1043 HA GLN 135 HA GLN 135 -0.016 1.456 15.248 1044 1HB GLN 135 1HB GLN 135 -2.334 1.105 13.733 1045 2HB GLN 135 2HB GLN 135 -1.906 -0.539 14.163 1046 1HG GLN 135 1HG GLN 135 -1.634 0.301 16.590 1047 2HG GLN 135 2HG GLN 135 -2.373 1.800 16.063 1048 1HE2 GLN 135 1HE2 GLN 135 -4.498 1.756 15.158 1049 2HE2 GLN 135 2HE2 GLN 135 -5.641 0.538 15.617 1050 H ILE 136 H ILE 136 0.661 -0.265 12.241 1051 HA ILE 136 HA ILE 136 1.290 -2.761 13.372 1052 HB ILE 136 HB ILE 136 2.291 -1.482 10.825 1053 1HG1 ILE 136 1HG1 ILE 136 -0.107 -1.418 10.815 1054 2HG1 ILE 136 2HG1 ILE 136 0.418 -2.708 9.750 1055 1HG2 ILE 136 1HG2 ILE 136 3.664 -3.342 11.234 1056 2HG2 ILE 136 2HG2 ILE 136 2.311 -4.321 11.849 1057 3HG2 ILE 136 3HG2 ILE 136 2.411 -3.931 10.115 1058 1HD1 ILE 136 1HD1 ILE 136 0.189 -4.169 12.005 1059 2HD1 ILE 136 2HD1 ILE 136 -0.969 -2.879 12.409 1060 3HD1 ILE 136 3HD1 ILE 136 -1.204 -3.857 10.941 1061 H VAL 137 H VAL 137 2.909 0.347 13.314 1062 HA VAL 137 HA VAL 137 5.342 -0.967 14.311 1063 HB VAL 137 HB VAL 137 6.471 1.146 13.629 1064 1HG1 VAL 137 1HG1 VAL 137 6.290 0.656 11.121 1065 2HG1 VAL 137 2HG1 VAL 137 6.767 -0.694 12.178 1066 3HG1 VAL 137 3HG1 VAL 137 5.099 -0.589 11.566 1067 1HG2 VAL 137 1HG2 VAL 137 4.467 2.599 13.629 1068 2HG2 VAL 137 2HG2 VAL 137 5.364 2.679 12.093 1069 3HG2 VAL 137 3HG2 VAL 137 3.858 1.735 12.196 1070 H GLU 138 H GLU 138 2.550 0.852 15.110 1071 HA GLU 138 HA GLU 138 3.906 1.837 17.499 1072 1HB GLU 138 1HB GLU 138 1.596 2.952 15.886 1073 2HB GLU 138 2HB GLU 138 1.774 3.383 17.575 1074 1HG GLU 138 1HG GLU 138 4.360 3.611 16.275 1075 2HG GLU 138 2HG GLU 138 3.171 4.479 15.324 Start of MODEL 15 1 1H MET 1 H MET 1 -12.683 13.015 -19.992 2 HA MET 1 HA MET 1 -11.364 15.410 -20.617 3 1HB MET 1 1HB MET 1 -12.983 14.277 -18.327 4 2HB MET 1 2HB MET 1 -12.037 15.713 -17.988 5 1HG MET 1 1HG MET 1 -13.200 17.016 -19.632 6 2HG MET 1 2HG MET 1 -13.843 15.596 -20.433 7 1HE MET 1 1HE MET 1 -14.606 18.318 -17.712 8 2HE MET 1 2HE MET 1 -15.158 18.259 -19.403 9 3HE MET 1 3HE MET 1 -16.329 18.062 -18.077 10 H THR 2 H THR 2 -10.054 16.519 -18.619 11 HA THR 2 HA THR 2 -7.540 15.539 -18.611 12 HB THR 2 HB THR 2 -8.278 17.773 -17.761 13 HG1 THR 2 1HG THR 2 -6.270 17.369 -16.885 14 1HG2 THR 2 1HG2 THR 2 -9.432 18.075 -15.752 15 2HG2 THR 2 2HG2 THR 2 -10.147 16.520 -16.242 16 3HG2 THR 2 3HG2 THR 2 -8.818 16.555 -15.058 17 H ARG 3 H ARG 3 -6.836 13.527 -18.248 18 HA ARG 3 HA ARG 3 -8.109 11.649 -16.803 19 1HB ARG 3 1HB ARG 3 -5.444 12.030 -17.942 20 2HB ARG 3 2HB ARG 3 -5.319 11.143 -16.436 21 1HG ARG 3 1HG ARG 3 -7.511 9.920 -17.643 22 2HG ARG 3 2HG ARG 3 -6.504 10.305 -19.025 23 1HD ARG 3 1HD ARG 3 -4.879 9.226 -16.834 24 2HD ARG 3 2HD ARG 3 -6.181 8.124 -17.238 25 HE ARG 3 HE ARG 3 -4.873 9.128 -19.631 26 1HH1 ARG 3 2HH2 ARG 3 -4.561 6.779 -17.029 27 2HH1 ARG 3 1HH2 ARG 3 -3.565 5.701 -17.949 28 1HH2 ARG 3 2HH1 ARG 3 -3.559 7.707 -20.845 29 2HH2 ARG 3 1HH1 ARG 3 -2.991 6.233 -20.134 30 H LEU 4 H LEU 4 -7.239 10.539 -14.691 31 HA LEU 4 HA LEU 4 -7.099 12.612 -12.677 32 1HB LEU 4 1HB LEU 4 -7.298 9.619 -12.341 33 2HB LEU 4 2HB LEU 4 -7.570 10.842 -11.116 34 HG LEU 4 HG LEU 4 -9.265 10.891 -13.587 35 1HD1 LEU 4 1HD1 LEU 4 -9.233 8.524 -12.882 36 2HD1 LEU 4 2HD1 LEU 4 -9.775 9.018 -11.260 37 3HD1 LEU 4 3HD1 LEU 4 -10.828 9.286 -12.670 38 1HD2 LEU 4 1HD2 LEU 4 -9.266 12.085 -10.926 39 2HD2 LEU 4 2HD2 LEU 4 -10.124 12.574 -12.407 40 3HD2 LEU 4 3HD2 LEU 4 -10.826 11.334 -11.340 41 HA PRO 5 HA PRO 5 -2.854 12.155 -12.032 42 1HB PRO 5 1HB PRO 5 -2.607 13.166 -9.506 43 2HB PRO 5 2HB PRO 5 -2.734 14.175 -10.933 44 1HG PRO 5 1HG PRO 5 -4.781 13.606 -8.877 45 2HG PRO 5 2HG PRO 5 -4.734 14.909 -10.048 46 1HD PRO 5 1HD PRO 5 -6.350 12.543 -10.178 47 2HD PRO 5 2HD PRO 5 -6.215 13.789 -11.402 48 H ASP 6 H ASP 6 -1.169 11.433 -10.208 49 HA ASP 6 HA ASP 6 -1.992 8.728 -9.776 50 1HB ASP 6 1HB ASP 6 0.426 8.671 -8.732 51 2HB ASP 6 2HB ASP 6 0.243 8.822 -10.468 52 H ILE 7 H ILE 7 -2.256 7.762 -7.667 53 HA ILE 7 HA ILE 7 -2.813 9.666 -5.568 54 HB ILE 7 HB ILE 7 -3.209 6.683 -5.803 55 1HG1 ILE 7 1HG1 ILE 7 -5.275 8.897 -5.809 56 2HG1 ILE 7 2HG1 ILE 7 -4.585 8.223 -7.272 57 1HG2 ILE 7 1HG2 ILE 7 -3.574 6.568 -3.621 58 2HG2 ILE 7 2HG2 ILE 7 -3.088 8.271 -3.451 59 3HG2 ILE 7 3HG2 ILE 7 -4.795 7.858 -3.736 60 1HD1 ILE 7 1HD1 ILE 7 -6.772 7.201 -5.794 61 2HD1 ILE 7 2HD1 ILE 7 -5.942 6.412 -7.156 62 3HD1 ILE 7 3HD1 ILE 7 -5.429 6.074 -5.486 63 H LYS 8 H LYS 8 -0.421 10.298 -5.574 64 HA LYS 8 HA LYS 8 1.227 8.328 -4.200 65 1HB LYS 8 1HB LYS 8 2.414 9.260 -5.972 66 2HB LYS 8 2HB LYS 8 1.760 10.866 -5.718 67 1HG LYS 8 1HG LYS 8 3.039 11.051 -3.576 68 2HG LYS 8 2HG LYS 8 3.689 9.442 -3.823 69 1HD LYS 8 1HD LYS 8 5.061 10.112 -5.613 70 2HD LYS 8 2HD LYS 8 4.035 11.469 -6.035 71 1HE LYS 8 1HE LYS 8 4.991 12.875 -4.452 72 2HE LYS 8 2HE LYS 8 5.284 11.577 -3.312 73 1HZ LYS 8 1HZ LYS 8 7.202 10.989 -4.378 74 2HZ LYS 8 2HZ LYS 8 6.774 11.640 -5.814 75 3HZ LYS 8 3HZ LYS 8 7.232 12.609 -4.581 76 H LYS 9 H LYS 9 1.446 8.324 -2.030 77 HA LYS 9 HA LYS 9 0.964 10.858 -0.642 78 1HB LYS 9 1HB LYS 9 -0.168 8.169 0.187 79 2HB LYS 9 2HB LYS 9 -0.298 9.662 1.094 80 1HG LYS 9 1HG LYS 9 -1.165 10.086 -1.665 81 2HG LYS 9 2HG LYS 9 -2.035 8.738 -0.962 82 1HD LYS 9 1HD LYS 9 -2.432 10.281 1.097 83 2HD LYS 9 2HD LYS 9 -1.880 11.595 0.078 84 1HE LYS 9 1HE LYS 9 -3.658 11.042 -1.599 85 2HE LYS 9 2HE LYS 9 -4.210 9.728 -0.580 86 1HZ LYS 9 1HZ LYS 9 -4.686 12.506 -0.319 87 2HZ LYS 9 2HZ LYS 9 -5.484 11.251 0.356 88 3HZ LYS 9 3HZ LYS 9 -4.150 11.856 1.079 89 H GLU 10 H GLU 10 1.838 10.721 1.692 90 HA GLU 10 HA GLU 10 3.961 8.799 1.949 91 1HB GLU 10 1HB GLU 10 4.958 10.725 0.674 92 2HB GLU 10 2HB GLU 10 4.543 11.793 1.999 93 1HG GLU 10 1HG GLU 10 6.039 9.350 2.818 94 2HG GLU 10 2HG GLU 10 6.938 10.428 1.768 95 H VAL 11 H VAL 11 4.747 8.617 4.167 96 HA VAL 11 HA VAL 11 3.437 10.295 6.134 97 HB VAL 11 HB VAL 11 2.870 8.023 7.333 98 1HG1 VAL 11 1HG1 VAL 11 0.800 8.461 5.316 99 2HG1 VAL 11 2HG1 VAL 11 0.758 8.724 7.076 100 3HG1 VAL 11 3HG1 VAL 11 1.415 9.984 6.003 101 1HG2 VAL 11 1HG2 VAL 11 3.847 6.898 5.095 102 2HG2 VAL 11 2HG2 VAL 11 2.560 6.153 6.072 103 3HG2 VAL 11 3HG2 VAL 11 2.145 7.072 4.605 104 H ARG 12 H ARG 12 4.408 9.996 8.313 105 HA ARG 12 HA ARG 12 7.025 8.743 8.084 106 1HB ARG 12 1HB ARG 12 7.260 11.215 7.995 107 2HB ARG 12 2HB ARG 12 6.325 11.382 9.467 108 1HG ARG 12 1HG ARG 12 8.204 9.697 10.422 109 2HG ARG 12 2HG ARG 12 9.144 10.379 9.111 110 1HD ARG 12 1HD ARG 12 9.390 12.385 10.181 111 2HD ARG 12 2HD ARG 12 7.693 12.463 10.609 112 HE ARG 12 HE ARG 12 9.832 11.595 12.327 113 1HH1 ARG 12 2HH2 ARG 12 6.484 10.853 11.535 114 2HH1 ARG 12 1HH2 ARG 12 6.128 10.193 13.096 115 1HH2 ARG 12 2HH1 ARG 12 9.362 10.724 14.387 116 2HH2 ARG 12 1HH1 ARG 12 7.775 10.119 14.729 117 H PHE 13 H PHE 13 7.176 7.075 9.550 118 HA PHE 13 HA PHE 13 5.611 7.349 12.020 119 1HB PHE 13 1HB PHE 13 6.632 4.853 10.539 120 2HB PHE 13 2HB PHE 13 5.552 4.842 11.919 121 HD1 PHE 13 1HD PHE 13 5.302 3.790 8.921 122 HD2 PHE 13 2HD PHE 13 3.720 7.088 11.072 123 HE1 PHE 13 1HE PHE 13 3.325 3.850 7.375 124 HE2 PHE 13 2HE PHE 13 1.743 7.148 9.526 125 HZ PHE 13 HZ PHE 13 1.570 5.528 7.696 126 H ASN 14 H ASN 14 6.589 6.745 14.011 127 HA ASN 14 HA ASN 14 9.454 6.913 13.897 128 1HB ASN 14 1HB ASN 14 7.384 7.672 15.763 129 2HB ASN 14 2HB ASN 14 8.433 6.537 16.590 130 1HD2 ASN 14 1HD2 ASN 14 8.454 8.905 17.630 131 2HD2 ASN 14 2HD2 ASN 14 9.860 9.837 17.239 132 H ALA 15 H ALA 15 10.533 4.944 13.642 133 HA ALA 15 HA ALA 15 10.485 2.942 15.498 134 1HB ALA 15 1HB ALA 15 8.151 2.838 13.823 135 2HB ALA 15 2HB ALA 15 9.191 1.446 13.433 136 3HB ALA 15 3HB ALA 15 8.649 1.711 15.107 137 HA PRO 16 HA PRO 16 13.727 1.668 12.930 138 1HB PRO 16 1HB PRO 16 13.954 -1.021 13.363 139 2HB PRO 16 2HB PRO 16 14.552 0.184 14.486 140 1HG PRO 16 1HG PRO 16 12.142 -1.515 14.701 141 2HG PRO 16 2HG PRO 16 12.981 -0.635 15.963 142 1HD PRO 16 1HD PRO 16 10.520 0.113 14.694 143 2HD PRO 16 2HD PRO 16 11.418 1.049 15.872 144 H ILE 17 H ILE 17 13.953 1.706 10.792 145 HA ILE 17 HA ILE 17 11.909 0.964 9.131 146 HB ILE 17 HB ILE 17 13.696 2.435 8.477 147 1HG1 ILE 17 1HG1 ILE 17 13.924 0.072 6.622 148 2HG1 ILE 17 2HG1 ILE 17 12.396 0.909 6.816 149 1HG2 ILE 17 1HG2 ILE 17 15.527 1.309 9.692 150 2HG2 ILE 17 2HG2 ILE 17 15.520 0.015 8.470 151 3HG2 ILE 17 3HG2 ILE 17 15.946 1.678 8.002 152 1HD1 ILE 17 1HD1 ILE 17 13.920 1.748 4.922 153 2HD1 ILE 17 2HD1 ILE 17 13.307 2.992 6.038 154 3HD1 ILE 17 3HD1 ILE 17 14.978 2.400 6.197 155 H GLU 18 H GLU 18 14.364 -1.024 10.714 156 HA GLU 18 HA GLU 18 14.262 -3.197 9.012 157 1HB GLU 18 1HB GLU 18 15.635 -2.537 11.309 158 2HB GLU 18 2HB GLU 18 14.569 -3.790 11.912 159 1HG GLU 18 1HG GLU 18 15.878 -4.398 9.296 160 2HG GLU 18 2HG GLU 18 16.970 -4.277 10.661 161 H LYS 19 H LYS 19 11.976 -1.967 11.390 162 HA LYS 19 HA LYS 19 10.568 -4.477 11.586 163 1HB LYS 19 1HB LYS 19 10.865 -2.726 13.445 164 2HB LYS 19 2HB LYS 19 9.650 -1.784 12.605 165 1HG LYS 19 1HG LYS 19 7.996 -3.555 12.827 166 2HG LYS 19 2HG LYS 19 9.201 -4.698 13.386 167 1HD LYS 19 1HD LYS 19 9.581 -3.284 15.426 168 2HD LYS 19 2HD LYS 19 8.351 -2.166 14.871 169 1HE LYS 19 1HE LYS 19 6.591 -3.744 15.177 170 2HE LYS 19 2HE LYS 19 7.686 -5.112 15.175 171 1HZ LYS 19 1HZ LYS 19 8.092 -3.137 17.241 172 2HZ LYS 19 2HZ LYS 19 6.756 -4.066 17.373 173 3HZ LYS 19 3HZ LYS 19 8.232 -4.762 17.312 174 H VAL 20 H VAL 20 9.870 -1.142 10.315 175 HA VAL 20 HA VAL 20 7.457 -1.790 9.131 176 HB VAL 20 HB VAL 20 9.550 0.256 8.371 177 1HG1 VAL 20 1HG1 VAL 20 7.885 -0.243 6.554 178 2HG1 VAL 20 2HG1 VAL 20 6.599 0.277 7.669 179 3HG1 VAL 20 3HG1 VAL 20 7.850 1.433 7.153 180 1HG2 VAL 20 1HG2 VAL 20 8.183 1.813 9.689 181 2HG2 VAL 20 2HG2 VAL 20 7.075 0.487 10.117 182 3HG2 VAL 20 3HG2 VAL 20 8.760 0.457 10.688 183 H TRP 21 H TRP 21 10.832 -1.976 7.859 184 HA TRP 21 HA TRP 21 10.242 -2.619 5.250 185 1HB TRP 21 1HB TRP 21 12.465 -2.080 5.939 186 2HB TRP 21 2HB TRP 21 12.531 -3.446 7.034 187 HD1 TRP 21 HD TRP 21 14.157 -5.199 5.996 188 HE1 TRP 21 1HE TRP 21 14.671 -6.280 3.643 189 HE3 TRP 21 3HE TRP 21 10.813 -2.393 3.390 190 HZ2 TRP 21 2HZ TRP 21 13.644 -5.848 1.016 191 HZ3 TRP 21 3HZ TRP 21 10.630 -2.785 0.935 192 HH2 TRP 21 HH TRP 21 11.978 -4.443 -0.252 193 H GLU 22 H GLU 22 10.783 -4.825 8.094 194 HA GLU 22 HA GLU 22 10.114 -7.115 6.643 195 1HB GLU 22 1HB GLU 22 11.092 -6.485 9.232 196 2HB GLU 22 2HB GLU 22 9.614 -7.386 9.505 197 1HG GLU 22 1HG GLU 22 10.850 -8.813 7.430 198 2HG GLU 22 2HG GLU 22 12.202 -8.316 8.427 199 H ALA 23 H ALA 23 8.226 -4.607 8.215 200 HA ALA 23 HA ALA 23 5.871 -6.234 8.484 201 1HB ALA 23 1HB ALA 23 4.881 -4.240 9.371 202 2HB ALA 23 2HB ALA 23 6.553 -4.286 9.980 203 3HB ALA 23 3HB ALA 23 6.128 -3.209 8.628 204 H VAL 24 H VAL 24 7.539 -4.736 5.912 205 HA VAL 24 HA VAL 24 5.047 -4.647 4.355 206 HB VAL 24 HB VAL 24 5.950 -2.844 3.072 207 1HG1 VAL 24 1HG1 VAL 24 5.510 -2.655 5.933 208 2HG1 VAL 24 2HG1 VAL 24 6.625 -1.385 5.375 209 3HG1 VAL 24 3HG1 VAL 24 5.017 -1.546 4.631 210 1HG2 VAL 24 1HG2 VAL 24 8.427 -3.797 3.701 211 2HG2 VAL 24 2HG2 VAL 24 8.112 -2.197 2.988 212 3HG2 VAL 24 3HG2 VAL 24 8.339 -2.359 4.746 213 H SER 25 H SER 25 7.573 -6.555 5.052 214 HA SER 25 HA SER 25 8.111 -7.168 2.256 215 1HB SER 25 1HB SER 25 10.210 -8.036 2.893 216 2HB SER 25 2HB SER 25 10.029 -6.629 3.921 217 HG SER 25 HG SER 25 10.714 -8.356 5.228 218 H THR 26 H THR 26 6.851 -8.336 5.365 219 HA THR 26 HA THR 26 6.473 -11.016 4.242 220 HB THR 26 HB THR 26 5.940 -11.556 6.652 221 HG1 THR 26 1HG THR 26 5.234 -9.177 6.892 222 1HG2 THR 26 1HG2 THR 26 8.480 -9.860 6.452 223 2HG2 THR 26 2HG2 THR 26 8.167 -11.194 7.589 224 3HG2 THR 26 3HG2 THR 26 8.377 -11.534 5.855 225 H SER 27 H SER 27 4.315 -12.086 4.828 226 HA SER 27 HA SER 27 2.323 -10.395 3.710 227 1HB SER 27 1HB SER 27 1.644 -13.099 4.830 228 2HB SER 27 2HB SER 27 1.114 -12.351 3.337 229 HG SER 27 HG SER 27 3.238 -14.045 3.769 230 H GLU 28 H GLU 28 2.746 -12.249 6.811 231 HA GLU 28 HA GLU 28 0.435 -11.475 8.013 232 1HB GLU 28 1HB GLU 28 2.769 -12.862 8.739 233 2HB GLU 28 2HB GLU 28 2.696 -11.545 9.892 234 1HG GLU 28 1HG GLU 28 0.144 -13.047 9.329 235 2HG GLU 28 2HG GLU 28 1.368 -13.859 10.284 236 H GLY 29 H GLY 29 3.564 -9.726 7.746 237 1HA GLY 29 1HA GLY 29 2.886 -7.625 9.535 238 2HA GLY 29 2HA GLY 29 4.177 -7.642 8.351 239 H LEU 30 H LEU 30 2.458 -8.210 6.011 240 HA LEU 30 HA LEU 30 1.656 -5.515 5.507 241 1HB LEU 30 1HB LEU 30 2.154 -7.970 3.997 242 2HB LEU 30 2HB LEU 30 0.793 -7.051 3.386 243 HG LEU 30 HG LEU 30 2.965 -5.240 3.888 244 1HD1 LEU 30 1HD1 LEU 30 4.503 -6.199 2.085 245 2HD1 LEU 30 2HD1 LEU 30 4.575 -6.937 3.703 246 3HD1 LEU 30 3HD1 LEU 30 3.695 -7.756 2.390 247 1HD2 LEU 30 1HD2 LEU 30 1.612 -6.183 1.346 248 2HD2 LEU 30 2HD2 LEU 30 1.160 -4.784 2.349 249 3HD2 LEU 30 3HD2 LEU 30 2.707 -4.785 1.470 250 H ALA 31 H ALA 31 -0.089 -8.707 5.445 251 HA ALA 31 HA ALA 31 -2.615 -7.740 5.117 252 1HB ALA 31 1HB ALA 31 -3.346 -9.856 6.038 253 2HB ALA 31 2HB ALA 31 -1.839 -10.138 5.134 254 3HB ALA 31 3HB ALA 31 -1.809 -10.061 6.912 255 H PHE 32 H PHE 32 -0.476 -7.426 7.883 256 HA PHE 32 HA PHE 32 -2.337 -7.132 9.912 257 1HB PHE 32 1HB PHE 32 0.429 -6.982 9.507 258 2HB PHE 32 2HB PHE 32 0.047 -5.302 9.830 259 HD1 PHE 32 1HD PHE 32 -1.924 -5.314 11.889 260 HD2 PHE 32 2HD PHE 32 1.353 -7.960 11.372 261 HE1 PHE 32 1HE PHE 32 -1.915 -5.785 14.354 262 HE2 PHE 32 2HE PHE 32 1.362 -8.431 13.837 263 HZ PHE 32 HZ PHE 32 -0.272 -7.337 15.299 264 H TRP 33 H TRP 33 -1.630 -5.083 7.166 265 HA TRP 33 HA TRP 33 -3.475 -3.100 8.263 266 1HB TRP 33 1HB TRP 33 -2.072 -1.270 7.429 267 2HB TRP 33 2HB TRP 33 -1.334 -2.155 8.749 268 HD1 TRP 33 HD TRP 33 0.845 -3.717 8.090 269 HE1 TRP 33 1HE TRP 33 2.613 -3.639 6.132 270 HE3 TRP 33 3HE TRP 33 -1.895 -0.719 5.030 271 HZ2 TRP 33 2HZ TRP 33 2.665 -2.361 3.581 272 HZ3 TRP 33 3HZ TRP 33 -0.912 -0.104 2.824 273 HH2 TRP 33 HH TRP 33 1.286 -0.874 2.083 274 H PHE 34 H PHE 34 -1.513 -4.277 5.444 275 HA PHE 34 HA PHE 34 -3.211 -3.133 3.515 276 1HB PHE 34 1HB PHE 34 -0.909 -3.774 2.989 277 2HB PHE 34 2HB PHE 34 -1.136 -5.384 3.645 278 HD1 PHE 34 1HD PHE 34 -3.532 -3.734 1.373 279 HD2 PHE 34 2HD PHE 34 -0.418 -6.595 1.728 280 HE1 PHE 34 1HE PHE 34 -4.062 -4.596 -0.924 281 HE2 PHE 34 2HE PHE 34 -0.947 -7.456 -0.569 282 HZ PHE 34 HZ PHE 34 -2.763 -6.447 -1.868 283 H MET 35 H MET 35 -2.601 -6.641 3.385 284 HA MET 35 HA MET 35 -5.184 -7.382 4.189 285 1HB MET 35 1HB MET 35 -4.710 -6.651 1.344 286 2HB MET 35 2HB MET 35 -5.365 -8.266 1.521 287 1HG MET 35 1HG MET 35 -7.102 -7.138 3.154 288 2HG MET 35 2HG MET 35 -6.590 -5.633 2.416 289 1HE MET 35 1HE MET 35 -7.463 -5.794 -1.166 290 2HE MET 35 2HE MET 35 -6.165 -5.444 0.000 291 3HE MET 35 3HE MET 35 -6.138 -6.959 -0.933 292 H GLU 36 H GLU 36 -5.606 -9.803 3.542 293 HA GLU 36 HA GLU 36 -3.353 -11.225 4.314 294 1HB GLU 36 1HB GLU 36 -6.074 -11.988 3.228 295 2HB GLU 36 2HB GLU 36 -4.861 -13.227 3.480 296 1HG GLU 36 1HG GLU 36 -4.748 -11.714 5.848 297 2HG GLU 36 2HG GLU 36 -6.458 -11.742 5.466 298 H ASN 37 H ASN 37 -1.798 -12.408 3.176 299 HA ASN 37 HA ASN 37 -2.154 -12.966 0.434 300 1HB ASN 37 1HB ASN 37 -0.272 -11.590 -0.426 301 2HB ASN 37 2HB ASN 37 -1.506 -10.555 0.264 302 1HD2 ASN 37 1HD2 ASN 37 -1.197 -10.459 2.829 303 2HD2 ASN 37 2HD2 ASN 37 0.375 -9.936 3.334 304 H ASP 38 H ASP 38 0.457 -13.493 -0.359 305 HA ASP 38 HA ASP 38 1.608 -14.925 1.900 306 1HB ASP 38 1HB ASP 38 1.542 -15.967 -0.965 307 2HB ASP 38 2HB ASP 38 2.084 -16.836 0.457 308 H LEU 39 H LEU 39 2.259 -12.278 0.734 309 HA LEU 39 HA LEU 39 4.377 -12.512 -1.110 310 1HB LEU 39 1HB LEU 39 3.008 -10.505 -0.812 311 2HB LEU 39 2HB LEU 39 3.651 -10.290 0.804 312 HG LEU 39 HG LEU 39 5.845 -10.467 -1.045 313 1HD1 LEU 39 1HD1 LEU 39 3.698 -8.469 -1.802 314 2HD1 LEU 39 2HD1 LEU 39 5.386 -8.411 -2.363 315 3HD1 LEU 39 3HD1 LEU 39 4.349 -9.789 -2.803 316 1HD2 LEU 39 1HD2 LEU 39 4.866 -8.034 0.459 317 2HD2 LEU 39 2HD2 LEU 39 5.724 -9.386 1.237 318 3HD2 LEU 39 3HD2 LEU 39 6.528 -8.437 -0.035 319 H LYS 40 H LYS 40 6.667 -12.263 -0.765 320 HA LYS 40 HA LYS 40 7.596 -12.503 1.965 321 1HB LYS 40 1HB LYS 40 7.212 -14.820 0.359 322 2HB LYS 40 2HB LYS 40 8.940 -14.543 0.452 323 1HG LYS 40 1HG LYS 40 8.877 -14.495 2.895 324 2HG LYS 40 2HG LYS 40 7.125 -14.504 2.905 325 1HD LYS 40 1HD LYS 40 8.745 -16.761 1.651 326 2HD LYS 40 2HD LYS 40 8.312 -16.762 3.349 327 1HE LYS 40 1HE LYS 40 5.857 -16.385 2.535 328 2HE LYS 40 2HE LYS 40 6.445 -16.838 0.947 329 1HZ LYS 40 1HZ LYS 40 7.312 -18.880 2.001 330 2HZ LYS 40 2HZ LYS 40 6.547 -18.469 3.384 331 3HZ LYS 40 3HZ LYS 40 5.683 -18.766 2.031 332 H ALA 41 H ALA 41 7.663 -10.424 -0.078 333 HA ALA 41 HA ALA 41 9.075 -9.173 -1.276 334 1HB ALA 41 1HB ALA 41 10.235 -9.773 1.371 335 2HB ALA 41 2HB ALA 41 11.420 -9.177 0.184 336 3HB ALA 41 3HB ALA 41 9.976 -8.208 0.565 337 H GLU 42 H GLU 42 8.983 -11.036 -2.940 338 HA GLU 42 HA GLU 42 11.716 -11.622 -3.593 339 1HB GLU 42 1HB GLU 42 10.260 -13.591 -2.281 340 2HB GLU 42 2HB GLU 42 10.000 -14.007 -3.964 341 1HG GLU 42 1HG GLU 42 12.406 -14.106 -4.388 342 2HG GLU 42 2HG GLU 42 12.767 -13.448 -2.805 343 H THR 43 H THR 43 11.857 -10.756 -5.617 344 HA THR 43 HA THR 43 9.691 -10.168 -7.237 345 HB THR 43 HB THR 43 12.319 -9.529 -7.199 346 HG1 THR 43 1HG THR 43 10.728 -8.437 -8.474 347 1HG2 THR 43 1HG2 THR 43 12.171 -11.176 -9.732 348 2HG2 THR 43 2HG2 THR 43 13.605 -10.578 -8.865 349 3HG2 THR 43 3HG2 THR 43 12.705 -11.978 -8.236 350 H GLY 44 H GLY 44 8.560 -11.161 -8.854 351 1HA GLY 44 1HA GLY 44 7.822 -12.823 -10.184 352 2HA GLY 44 2HA GLY 44 9.394 -13.589 -10.062 353 H HIS 45 H HIS 45 7.304 -12.737 -7.264 354 HA HIS 45 HA HIS 45 7.035 -15.615 -6.779 355 1HB HIS 45 1HB HIS 45 8.468 -14.521 -5.145 356 2HB HIS 45 2HB HIS 45 7.238 -13.316 -4.816 357 HD1 HIS 45 1HD HIS 45 6.912 -17.140 -4.974 358 HD2 HIS 45 2HD HIS 45 6.329 -13.944 -2.319 359 HE1 HIS 45 1HE HIS 45 5.896 -18.143 -2.859 360 H HIS 46 H HIS 46 5.170 -15.135 -8.431 361 HA HIS 46 HA HIS 46 3.022 -13.618 -7.963 362 1HB HIS 46 1HB HIS 46 1.696 -15.595 -8.969 363 2HB HIS 46 2HB HIS 46 2.960 -14.839 -9.919 364 HD1 HIS 46 1HD HIS 46 2.366 -17.944 -7.780 365 HD2 HIS 46 2HD HIS 46 4.973 -16.540 -10.752 366 HE1 HIS 46 1HE HIS 46 3.808 -19.935 -8.465 367 H PHE 47 H PHE 47 2.060 -13.187 -6.031 368 HA PHE 47 HA PHE 47 1.433 -15.510 -4.349 369 1HB PHE 47 1HB PHE 47 1.501 -13.794 -2.500 370 2HB PHE 47 2HB PHE 47 3.021 -13.834 -3.371 371 HD1 PHE 47 1HD PHE 47 0.268 -11.802 -2.336 372 HD2 PHE 47 2HD PHE 47 3.423 -12.066 -5.162 373 HE1 PHE 47 1HE PHE 47 0.083 -9.337 -2.772 374 HE2 PHE 47 2HE PHE 47 3.238 -9.601 -5.598 375 HZ PHE 47 HZ PHE 47 1.570 -8.266 -4.398 376 H HIS 48 H HIS 48 -0.679 -15.773 -3.578 377 HA HIS 48 HA HIS 48 -2.679 -14.458 -5.099 378 1HB HIS 48 1HB HIS 48 -2.571 -16.617 -3.040 379 2HB HIS 48 2HB HIS 48 -4.105 -15.802 -3.275 380 HD1 HIS 48 1HD HIS 48 -1.854 -18.327 -4.790 381 HD2 HIS 48 2HD HIS 48 -5.200 -16.082 -5.955 382 HE1 HIS 48 1HE HIS 48 -2.753 -19.430 -6.908 383 H LEU 49 H LEU 49 -4.682 -13.491 -3.930 384 HA LEU 49 HA LEU 49 -3.891 -12.029 -1.535 385 1HB LEU 49 1HB LEU 49 -3.338 -10.689 -3.594 386 2HB LEU 49 2HB LEU 49 -5.052 -10.653 -3.956 387 HG LEU 49 HG LEU 49 -5.439 -9.536 -1.740 388 1HD1 LEU 49 1HD1 LEU 49 -3.834 -9.444 -0.216 389 2HD1 LEU 49 2HD1 LEU 49 -2.701 -10.231 -1.342 390 3HD1 LEU 49 3HD1 LEU 49 -2.841 -8.456 -1.314 391 1HD2 LEU 49 1HD2 LEU 49 -3.535 -7.795 -3.242 392 2HD2 LEU 49 2HD2 LEU 49 -4.953 -8.438 -4.105 393 3HD2 LEU 49 3HD2 LEU 49 -5.175 -7.456 -2.638 394 H GLN 50 H GLN 50 -5.410 -12.459 -0.037 395 HA GLN 50 HA GLN 50 -7.979 -13.347 -0.965 396 1HB GLN 50 1HB GLN 50 -6.664 -13.225 1.775 397 2HB GLN 50 2HB GLN 50 -8.338 -13.697 1.569 398 1HG GLN 50 1HG GLN 50 -6.529 -15.107 -0.296 399 2HG GLN 50 2HG GLN 50 -6.116 -15.394 1.383 400 1HE2 GLN 50 1HE2 GLN 50 -8.620 -15.599 -1.059 401 2HE2 GLN 50 2HE2 GLN 50 -9.629 -16.770 -0.278 402 H SER 51 H SER 51 -8.631 -11.230 -1.886 403 HA SER 51 HA SER 51 -9.021 -9.141 0.053 404 1HB SER 51 1HB SER 51 -9.161 -7.707 -1.741 405 2HB SER 51 2HB SER 51 -8.302 -9.009 -2.538 406 HG SER 51 HG SER 51 -10.859 -8.045 -3.000 407 HA PRO 52 HA PRO 52 -13.301 -9.810 0.504 408 1HB PRO 52 1HB PRO 52 -14.429 -7.321 0.468 409 2HB PRO 52 2HB PRO 52 -13.591 -7.973 1.862 410 1HG PRO 52 1HG PRO 52 -12.670 -5.930 -0.066 411 2HG PRO 52 2HG PRO 52 -12.056 -6.283 1.537 412 1HD PRO 52 1HD PRO 52 -10.863 -7.031 -0.961 413 2HD PRO 52 2HD PRO 52 -10.312 -7.483 0.640 414 H PHE 53 H PHE 53 -12.611 -7.718 -2.214 415 HA PHE 53 HA PHE 53 -15.104 -8.450 -3.455 416 1HB PHE 53 1HB PHE 53 -13.163 -6.364 -3.561 417 2HB PHE 53 2HB PHE 53 -12.960 -7.197 -5.089 418 HD1 PHE 53 1HD PHE 53 -15.335 -5.311 -3.003 419 HD2 PHE 53 2HD PHE 53 -14.618 -7.046 -6.809 420 HE1 PHE 53 1HE PHE 53 -17.305 -4.070 -3.940 421 HE2 PHE 53 2HE PHE 53 -16.589 -5.805 -7.746 422 HZ PHE 53 HZ PHE 53 -17.909 -4.332 -6.300 423 H GLY 54 H GLY 54 -13.726 -10.801 -2.903 424 1HA GLY 54 1HA GLY 54 -13.401 -12.730 -4.085 425 2HA GLY 54 2HA GLY 54 -13.315 -11.821 -5.581 426 HA PRO 55 HA PRO 55 -9.069 -12.815 -3.869 427 1HB PRO 55 1HB PRO 55 -8.546 -15.330 -4.801 428 2HB PRO 55 2HB PRO 55 -9.074 -15.007 -3.162 429 1HG PRO 55 1HG PRO 55 -10.619 -16.127 -5.419 430 2HG PRO 55 2HG PRO 55 -10.978 -16.189 -3.706 431 1HD PRO 55 1HD PRO 55 -12.206 -14.481 -5.655 432 2HD PRO 55 2HD PRO 55 -12.482 -14.464 -3.925 433 H SER 56 H SER 56 -7.307 -12.077 -4.932 434 HA SER 56 HA SER 56 -7.457 -12.482 -7.809 435 1HB SER 56 1HB SER 56 -7.090 -9.878 -6.302 436 2HB SER 56 2HB SER 56 -6.418 -10.064 -7.910 437 HG SER 56 HG SER 56 -9.202 -10.388 -7.169 438 HA PRO 57 HA PRO 57 -3.304 -13.620 -7.070 439 1HB PRO 57 1HB PRO 57 -2.507 -14.031 -9.652 440 2HB PRO 57 2HB PRO 57 -3.378 -15.229 -8.715 441 1HG PRO 57 1HG PRO 57 -4.374 -13.496 -10.893 442 2HG PRO 57 2HG PRO 57 -5.082 -14.963 -10.247 443 1HD PRO 57 1HD PRO 57 -5.935 -12.274 -9.730 444 2HD PRO 57 2HD PRO 57 -6.567 -13.733 -8.995 445 H CYS 58 H CYS 58 -1.485 -12.569 -6.537 446 HA CYS 58 HA CYS 58 -1.112 -10.089 -8.053 447 1HB CYS 58 1HB CYS 58 -0.507 -10.709 -5.148 448 2HB CYS 58 2HB CYS 58 0.102 -9.289 -5.974 449 HG CYS 58 HG CYS 58 -3.067 -10.147 -6.183 450 H GLN 59 H GLN 59 1.329 -9.408 -8.045 451 HA GLN 59 HA GLN 59 3.130 -11.618 -7.803 452 1HB GLN 59 1HB GLN 59 2.346 -12.053 -10.053 453 2HB GLN 59 2HB GLN 59 2.484 -10.364 -10.500 454 1HG GLN 59 1HG GLN 59 4.825 -10.441 -10.648 455 2HG GLN 59 2HG GLN 59 4.965 -11.759 -9.502 456 1HE2 GLN 59 1HE2 GLN 59 5.720 -13.504 -10.404 457 2HE2 GLN 59 2HE2 GLN 59 5.332 -14.137 -11.968 458 H VAL 60 H VAL 60 5.372 -10.929 -7.741 459 HA VAL 60 HA VAL 60 5.588 -8.070 -7.199 460 HB VAL 60 HB VAL 60 7.447 -10.377 -6.588 461 1HG1 VAL 60 1HG1 VAL 60 8.434 -8.681 -4.962 462 2HG1 VAL 60 2HG1 VAL 60 8.769 -8.410 -6.689 463 3HG1 VAL 60 3HG1 VAL 60 7.529 -7.439 -5.860 464 1HG2 VAL 60 1HG2 VAL 60 5.254 -10.476 -5.401 465 2HG2 VAL 60 2HG2 VAL 60 6.643 -10.252 -4.311 466 3HG2 VAL 60 3HG2 VAL 60 5.594 -8.870 -4.713 467 H THR 61 H THR 61 6.998 -6.710 -8.319 468 HA THR 61 HA THR 61 8.191 -7.924 -10.724 469 HB THR 61 HB THR 61 7.789 -5.713 -11.765 470 HG1 THR 61 1HG THR 61 7.910 -4.217 -10.100 471 1HG2 THR 61 1HG2 THR 61 5.256 -5.470 -11.350 472 2HG2 THR 61 2HG2 THR 61 5.781 -7.078 -11.905 473 3HG2 THR 61 3HG2 THR 61 5.409 -6.807 -10.185 474 H ASP 62 H ASP 62 8.690 -5.803 -7.900 475 HA ASP 62 HA ASP 62 11.507 -6.201 -8.284 476 1HB ASP 62 1HB ASP 62 10.388 -3.843 -9.223 477 2HB ASP 62 2HB ASP 62 10.816 -3.388 -7.586 478 H VAL 63 H VAL 63 12.476 -6.448 -6.229 479 HA VAL 63 HA VAL 63 11.397 -5.130 -3.936 480 HB VAL 63 HB VAL 63 9.768 -6.840 -3.989 481 1HG1 VAL 63 1HG1 VAL 63 12.047 -8.788 -4.460 482 2HG1 VAL 63 2HG1 VAL 63 10.373 -9.265 -4.091 483 3HG1 VAL 63 3HG1 VAL 63 10.733 -8.369 -5.585 484 1HG2 VAL 63 1HG2 VAL 63 11.887 -6.926 -1.958 485 2HG2 VAL 63 2HG2 VAL 63 10.118 -6.864 -1.771 486 3HG2 VAL 63 3HG2 VAL 63 10.929 -8.424 -2.047 487 H GLU 64 H GLU 64 13.281 -4.401 -3.096 488 HA GLU 64 HA GLU 64 15.249 -6.349 -2.409 489 1HB GLU 64 1HB GLU 64 15.939 -5.807 -4.718 490 2HB GLU 64 2HB GLU 64 15.939 -4.095 -4.344 491 1HG GLU 64 1HG GLU 64 18.042 -4.222 -3.506 492 2HG GLU 64 2HG GLU 64 17.558 -5.464 -2.369 493 H ARG 65 H ARG 65 15.285 -5.843 -0.245 494 HA ARG 65 HA ARG 65 15.459 -4.713 1.589 495 1HB ARG 65 1HB ARG 65 17.422 -3.514 -0.234 496 2HB ARG 65 2HB ARG 65 16.889 -2.337 0.950 497 1HG ARG 65 1HG ARG 65 17.255 -4.365 2.661 498 2HG ARG 65 2HG ARG 65 18.306 -4.969 1.396 499 1HD ARG 65 1HD ARG 65 18.680 -2.078 2.037 500 2HD ARG 65 2HD ARG 65 19.084 -3.172 3.345 501 HE ARG 65 HE ARG 65 20.579 -2.809 0.896 502 1HH1 ARG 65 2HH2 ARG 65 19.682 -5.249 3.267 503 2HH1 ARG 65 1HH2 ARG 65 21.074 -6.235 2.969 504 1HH2 ARG 65 2HH1 ARG 65 22.417 -4.109 0.502 505 2HH2 ARG 65 1HH1 ARG 65 22.641 -5.582 1.385 506 HA PRO 66 HA PRO 66 12.614 -1.407 1.758 507 1HB PRO 66 1HB PRO 66 13.378 0.096 3.909 508 2HB PRO 66 2HB PRO 66 12.512 -1.420 4.058 509 1HG PRO 66 1HG PRO 66 15.370 -0.861 4.566 510 2HG PRO 66 2HG PRO 66 14.406 -2.223 5.102 511 1HD PRO 66 1HD PRO 66 16.318 -2.209 2.964 512 2HD PRO 66 2HD PRO 66 15.270 -3.536 3.425 513 H ILE 67 H ILE 67 13.495 -0.755 -0.409 514 HA ILE 67 HA ILE 67 14.117 2.069 -0.150 515 HB ILE 67 HB ILE 67 15.902 1.759 -1.943 516 1HG1 ILE 67 1HG1 ILE 67 16.991 -0.673 -1.228 517 2HG1 ILE 67 2HG1 ILE 67 15.281 -1.046 -1.319 518 1HG2 ILE 67 1HG2 ILE 67 16.864 0.583 0.625 519 2HG2 ILE 67 2HG2 ILE 67 17.522 1.921 -0.347 520 3HG2 ILE 67 3HG2 ILE 67 16.084 2.182 0.670 521 1HD1 ILE 67 1HD1 ILE 67 17.064 0.108 -3.494 522 2HD1 ILE 67 2HD1 ILE 67 16.087 -1.380 -3.537 523 3HD1 ILE 67 3HD1 ILE 67 15.289 0.210 -3.592 524 H LYS 68 H LYS 68 13.445 -0.773 -2.277 525 HA LYS 68 HA LYS 68 11.474 0.867 -3.643 526 1HB LYS 68 1HB LYS 68 13.384 1.240 -5.035 527 2HB LYS 68 2HB LYS 68 13.819 -0.457 -5.022 528 1HG LYS 68 1HG LYS 68 12.382 -0.939 -6.719 529 2HG LYS 68 2HG LYS 68 11.055 -0.110 -5.930 530 1HD LYS 68 1HD LYS 68 11.715 2.031 -6.841 531 2HD LYS 68 2HD LYS 68 13.276 1.417 -7.350 532 1HE LYS 68 1HE LYS 68 12.228 -0.020 -9.046 533 2HE LYS 68 2HE LYS 68 10.625 0.378 -8.458 534 1HZ LYS 68 1HZ LYS 68 11.034 2.665 -9.073 535 2HZ LYS 68 2HZ LYS 68 12.526 2.293 -9.623 536 3HZ LYS 68 3HZ LYS 68 11.206 1.686 -10.368 537 H LEU 69 H LEU 69 9.613 -0.245 -3.444 538 HA LEU 69 HA LEU 69 9.754 -3.139 -3.856 539 1HB LEU 69 1HB LEU 69 9.733 -2.848 -1.478 540 2HB LEU 69 2HB LEU 69 8.407 -1.705 -1.568 541 HG LEU 69 HG LEU 69 7.065 -3.679 -2.606 542 1HD1 LEU 69 1HD1 LEU 69 9.239 -5.057 -2.785 543 2HD1 LEU 69 2HD1 LEU 69 9.011 -5.368 -1.047 544 3HD1 LEU 69 3HD1 LEU 69 7.761 -5.866 -2.212 545 1HD2 LEU 69 1HD2 LEU 69 7.743 -3.992 0.314 546 2HD2 LEU 69 2HD2 LEU 69 6.863 -2.571 -0.297 547 3HD2 LEU 69 3HD2 LEU 69 6.178 -4.200 -0.508 548 H SER 70 H SER 70 8.212 -3.904 -5.241 549 HA SER 70 HA SER 70 5.892 -2.240 -5.673 550 1HB SER 70 1HB SER 70 7.950 -1.885 -7.381 551 2HB SER 70 2HB SER 70 7.251 -3.303 -8.136 552 HG SER 70 HG SER 70 6.457 -1.065 -8.815 553 H PHE 71 H PHE 71 4.089 -3.444 -6.664 554 HA PHE 71 HA PHE 71 4.484 -6.236 -7.199 555 1HB PHE 71 1HB PHE 71 3.213 -7.026 -5.311 556 2HB PHE 71 2HB PHE 71 4.241 -5.794 -4.607 557 HD1 PHE 71 1HD PHE 71 3.283 -4.110 -3.334 558 HD2 PHE 71 2HD PHE 71 0.852 -6.215 -6.103 559 HE1 PHE 71 1HE PHE 71 1.255 -2.916 -2.462 560 HE2 PHE 71 2HE PHE 71 -1.176 -5.021 -5.231 561 HZ PHE 71 HZ PHE 71 -0.951 -3.386 -3.420 562 H THR 72 H THR 72 2.847 -7.067 -8.518 563 HA THR 72 HA THR 72 0.977 -5.086 -9.513 564 HB THR 72 HB THR 72 0.730 -6.670 -11.347 565 HG1 THR 72 1HG THR 72 0.541 -8.633 -10.179 566 1HG2 THR 72 1HG2 THR 72 3.451 -7.577 -11.042 567 2HG2 THR 72 2HG2 THR 72 2.851 -6.271 -12.092 568 3HG2 THR 72 3HG2 THR 72 3.368 -5.908 -10.428 569 H TRP 73 H TRP 73 -1.241 -5.135 -9.378 570 HA TRP 73 HA TRP 73 -2.247 -6.938 -7.310 571 1HB TRP 73 1HB TRP 73 -2.515 -4.486 -7.041 572 2HB TRP 73 2HB TRP 73 -3.495 -4.452 -8.494 573 HD1 TRP 73 HD TRP 73 -5.430 -6.921 -7.973 574 HE1 TRP 73 1HE TRP 73 -7.266 -6.929 -6.077 575 HE3 TRP 73 3HE TRP 73 -3.244 -3.331 -5.112 576 HZ2 TRP 73 2HZ TRP 73 -7.591 -5.466 -3.649 577 HZ3 TRP 73 3HZ TRP 73 -4.385 -2.679 -2.994 578 HH2 TRP 73 HH TRP 73 -6.485 -3.684 -2.249 579 H ASP 74 H ASP 74 -3.601 -8.618 -7.847 580 HA ASP 74 HA ASP 74 -4.770 -9.999 -9.039 581 1HB ASP 74 1HB ASP 74 -6.486 -8.315 -9.210 582 2HB ASP 74 2HB ASP 74 -5.583 -7.407 -10.407 583 H THR 75 H THR 75 -5.070 -10.926 -11.414 584 HA THR 75 HA THR 75 -2.630 -11.336 -12.586 585 HB THR 75 HB THR 75 -4.351 -12.856 -13.147 586 HG1 THR 75 1HG THR 75 -3.151 -12.007 -15.054 587 1HG2 THR 75 1HG2 THR 75 -6.487 -12.040 -12.808 588 2HG2 THR 75 2HG2 THR 75 -6.020 -10.384 -13.263 589 3HG2 THR 75 3HG2 THR 75 -6.386 -11.584 -14.525 590 H ASP 76 H ASP 76 -4.878 -8.624 -13.053 591 HA ASP 76 HA ASP 76 -2.858 -7.059 -14.115 592 1HB ASP 76 1HB ASP 76 -3.280 -8.525 -16.132 593 2HB ASP 76 2HB ASP 76 -4.945 -7.979 -16.149 594 H GLY 77 H GLY 77 -3.577 -5.171 -13.113 595 1HA GLY 77 1HA GLY 77 -6.175 -4.105 -13.780 596 2HA GLY 77 2HA GLY 77 -6.025 -4.611 -12.109 597 H TRP 78 H TRP 78 -4.611 -3.493 -10.661 598 HA TRP 78 HA TRP 78 -3.535 -0.996 -11.786 599 1HB TRP 78 1HB TRP 78 -4.639 -1.441 -9.007 600 2HB TRP 78 2HB TRP 78 -4.001 0.059 -9.651 601 HD1 TRP 78 HD TRP 78 -5.685 -0.508 -12.571 602 HE1 TRP 78 1HE TRP 78 -8.236 0.159 -12.692 603 HE3 TRP 78 3HE TRP 78 -6.437 -0.398 -7.543 604 HZ2 TRP 78 2HZ TRP 78 -10.236 0.647 -10.716 605 HZ3 TRP 78 3HZ TRP 78 -8.718 0.182 -6.722 606 HH2 TRP 78 HH TRP 78 -10.582 0.694 -8.218 607 H SER 79 H SER 79 -1.561 -0.199 -10.613 608 HA SER 79 HA SER 79 -0.174 -2.370 -9.264 609 1HB SER 79 1HB SER 79 1.811 -0.949 -10.692 610 2HB SER 79 2HB SER 79 1.262 -2.586 -10.992 611 HG SER 79 HG SER 79 0.753 -0.242 -12.426 612 H VAL 80 H VAL 80 0.915 -1.701 -7.414 613 HA VAL 80 HA VAL 80 1.196 1.205 -7.070 614 HB VAL 80 HB VAL 80 -0.679 0.299 -5.778 615 1HG1 VAL 80 1HG1 VAL 80 1.402 -1.657 -4.883 616 2HG1 VAL 80 2HG1 VAL 80 0.161 -1.150 -3.712 617 3HG1 VAL 80 3HG1 VAL 80 -0.321 -1.905 -5.250 618 1HG2 VAL 80 1HG2 VAL 80 0.430 0.901 -3.418 619 2HG2 VAL 80 2HG2 VAL 80 1.740 1.471 -4.479 620 3HG2 VAL 80 3HG2 VAL 80 0.098 2.133 -4.659 621 H THR 81 H THR 81 3.104 1.925 -6.029 622 HA THR 81 HA THR 81 5.096 -0.186 -5.538 623 HB THR 81 HB THR 81 5.599 2.515 -6.889 624 HG1 THR 81 1HG THR 81 4.194 0.906 -8.061 625 1HG2 THR 81 1HG2 THR 81 7.749 1.643 -7.426 626 2HG2 THR 81 2HG2 THR 81 7.517 1.097 -5.747 627 3HG2 THR 81 3HG2 THR 81 7.248 -0.033 -7.096 628 H PHE 82 H PHE 82 6.292 -0.021 -3.703 629 HA PHE 82 HA PHE 82 5.569 2.235 -1.989 630 1HB PHE 82 1HB PHE 82 6.772 -0.562 -1.550 631 2HB PHE 82 2HB PHE 82 6.579 0.591 -0.244 632 HD1 PHE 82 1HD PHE 82 5.174 -2.207 -1.615 633 HD2 PHE 82 2HD PHE 82 4.038 1.657 -0.280 634 HE1 PHE 82 1HE PHE 82 2.832 -3.026 -1.238 635 HE2 PHE 82 2HE PHE 82 1.696 0.838 0.098 636 HZ PHE 82 HZ PHE 82 1.121 -1.494 -0.386 637 H HIS 83 H HIS 83 7.214 3.353 -0.758 638 HA HIS 83 HA HIS 83 9.942 2.848 -1.639 639 1HB HIS 83 1HB HIS 83 8.340 5.318 -2.120 640 2HB HIS 83 2HB HIS 83 10.012 5.529 -1.641 641 HD1 HIS 83 1HD HIS 83 11.870 4.570 -3.281 642 HD2 HIS 83 2HD HIS 83 7.939 4.404 -4.736 643 HE1 HIS 83 1HE HIS 83 12.053 4.131 -5.788 644 H LEU 84 H LEU 84 11.105 2.489 0.177 645 HA LEU 84 HA LEU 84 10.272 3.956 2.582 646 1HB LEU 84 1HB LEU 84 11.378 1.190 2.186 647 2HB LEU 84 2HB LEU 84 11.531 2.015 3.724 648 HG LEU 84 HG LEU 84 8.845 2.317 3.175 649 1HD1 LEU 84 1HD1 LEU 84 8.550 0.919 1.379 650 2HD1 LEU 84 2HD1 LEU 84 9.833 -0.203 1.894 651 3HD1 LEU 84 3HD1 LEU 84 8.261 -0.207 2.728 652 1HD2 LEU 84 1HD2 LEU 84 10.536 0.841 5.017 653 2HD2 LEU 84 2HD2 LEU 84 8.983 1.665 5.296 654 3HD2 LEU 84 3HD2 LEU 84 9.007 -0.012 4.699 655 H LYS 85 H LYS 85 11.999 4.704 4.018 656 HA LYS 85 HA LYS 85 14.694 4.557 3.266 657 1HB LYS 85 1HB LYS 85 15.044 6.890 2.526 658 2HB LYS 85 2HB LYS 85 14.115 5.941 1.383 659 1HG LYS 85 1HG LYS 85 12.013 6.903 2.666 660 2HG LYS 85 2HG LYS 85 13.136 8.106 3.270 661 1HD LYS 85 1HD LYS 85 13.290 7.619 0.329 662 2HD LYS 85 2HD LYS 85 11.774 8.306 0.879 663 1HE LYS 85 1HE LYS 85 12.964 10.167 1.984 664 2HE LYS 85 2HE LYS 85 14.515 9.450 1.597 665 1HZ LYS 85 1HZ LYS 85 12.612 10.731 -0.182 666 2HZ LYS 85 2HZ LYS 85 14.234 10.903 -0.105 667 3HZ LYS 85 3HZ LYS 85 13.586 9.572 -0.796 668 H GLU 86 H GLU 86 15.585 4.530 5.252 669 HA GLU 86 HA GLU 86 14.215 5.497 7.468 670 1HB GLU 86 1HB GLU 86 16.271 3.766 7.104 671 2HB GLU 86 2HB GLU 86 17.193 5.167 7.610 672 1HG GLU 86 1HG GLU 86 14.865 4.899 9.330 673 2HG GLU 86 2HG GLU 86 15.699 3.360 9.258 674 H GLU 87 H GLU 87 14.449 7.389 8.728 675 HA GLU 87 HA GLU 87 16.035 9.454 7.411 676 1HB GLU 87 1HB GLU 87 13.284 9.421 8.017 677 2HB GLU 87 2HB GLU 87 13.979 10.441 9.261 678 1HG GLU 87 1HG GLU 87 15.077 10.978 6.557 679 2HG GLU 87 2HG GLU 87 13.350 11.255 6.672 680 H GLU 88 H GLU 88 15.974 11.401 9.466 681 HA GLU 88 HA GLU 88 18.122 10.796 10.931 682 1HB GLU 88 1HB GLU 88 15.806 12.673 11.372 683 2HB GLU 88 2HB GLU 88 16.984 12.501 12.658 684 1HG GLU 88 1HG GLU 88 18.502 12.741 10.257 685 2HG GLU 88 2HG GLU 88 17.227 13.936 10.127 686 H ASN 89 H ASN 89 14.875 10.963 12.555 687 HA ASN 89 HA ASN 89 15.685 8.578 14.022 688 1HB ASN 89 1HB ASN 89 14.523 11.200 15.014 689 2HB ASN 89 2HB ASN 89 14.132 9.729 15.882 690 1HD2 ASN 89 1HD2 ASN 89 15.487 11.716 17.119 691 2HD2 ASN 89 2HD2 ASN 89 17.130 11.265 17.434 692 H GLY 90 H GLY 90 14.283 7.953 11.881 693 1HA GLY 90 1HA GLY 90 11.867 6.888 12.691 694 2HA GLY 90 2HA GLY 90 11.480 8.437 11.967 695 H THR 91 H THR 91 10.417 6.368 10.642 696 HA THR 91 HA THR 91 12.257 5.910 8.384 697 HB THR 91 HB THR 91 9.974 4.173 9.465 698 HG1 THR 91 1HG THR 91 12.028 4.306 10.712 699 1HG2 THR 91 1HG2 THR 91 11.296 2.469 7.956 700 2HG2 THR 91 2HG2 THR 91 10.160 3.583 7.157 701 3HG2 THR 91 3HG2 THR 91 11.908 3.920 7.126 702 H ILE 92 H ILE 92 11.575 6.342 6.313 703 HA ILE 92 HA ILE 92 9.080 7.867 6.202 704 HB ILE 92 HB ILE 92 11.510 7.827 4.412 705 1HG1 ILE 92 1HG1 ILE 92 12.069 9.009 6.366 706 2HG1 ILE 92 2HG1 ILE 92 11.641 10.239 5.194 707 1HG2 ILE 92 1HG2 ILE 92 9.013 8.267 3.489 708 2HG2 ILE 92 2HG2 ILE 92 9.430 9.904 4.048 709 3HG2 ILE 92 3HG2 ILE 92 10.464 9.081 2.856 710 1HD1 ILE 92 1HD1 ILE 92 9.972 9.217 7.521 711 2HD1 ILE 92 2HD1 ILE 92 10.516 10.881 7.200 712 3HD1 ILE 92 3HD1 ILE 92 9.250 10.147 6.186 713 H PHE 93 H PHE 93 7.383 7.269 4.878 714 HA PHE 93 HA PHE 93 7.833 4.906 3.211 715 1HB PHE 93 1HB PHE 93 6.737 4.512 5.556 716 2HB PHE 93 2HB PHE 93 5.390 5.478 4.986 717 HD1 PHE 93 1HD PHE 93 4.066 4.662 2.997 718 HD2 PHE 93 2HD PHE 93 6.921 2.228 4.981 719 HE1 PHE 93 1HE PHE 93 3.027 2.616 1.981 720 HE2 PHE 93 2HE PHE 93 5.882 0.182 3.965 721 HZ PHE 93 HZ PHE 93 3.948 0.400 2.477 722 H THR 94 H THR 94 7.299 5.393 1.140 723 HA THR 94 HA THR 94 5.113 7.332 0.751 724 HB THR 94 HB THR 94 7.746 6.916 -0.752 725 HG1 THR 94 1HG THR 94 7.725 8.275 1.183 726 1HG2 THR 94 1HG2 THR 94 5.573 8.972 -1.363 727 2HG2 THR 94 2HG2 THR 94 7.036 8.614 -2.312 728 3HG2 THR 94 3HG2 THR 94 5.697 7.441 -2.264 729 H ILE 95 H ILE 95 3.380 6.676 -0.373 730 HA ILE 95 HA ILE 95 3.651 4.085 -1.726 731 HB ILE 95 HB ILE 95 2.115 3.641 -0.129 732 1HG1 ILE 95 1HG1 ILE 95 1.099 3.451 -2.452 733 2HG1 ILE 95 2HG1 ILE 95 -0.015 3.458 -1.099 734 1HG2 ILE 95 1HG2 ILE 95 1.418 6.568 -0.230 735 2HG2 ILE 95 2HG2 ILE 95 0.355 5.393 0.580 736 3HG2 ILE 95 3HG2 ILE 95 2.036 5.597 1.128 737 1HD1 ILE 95 1HD1 ILE 95 0.506 6.194 -1.970 738 2HD1 ILE 95 2HD1 ILE 95 -0.042 5.193 -3.336 739 3HD1 ILE 95 3HD1 ILE 95 -1.044 5.323 -1.870 740 H VAL 96 H VAL 96 2.946 3.857 -3.860 741 HA VAL 96 HA VAL 96 1.924 6.297 -5.117 742 HB VAL 96 HB VAL 96 4.189 4.563 -6.121 743 1HG1 VAL 96 1HG1 VAL 96 2.867 5.250 -8.004 744 2HG1 VAL 96 2HG1 VAL 96 2.758 6.917 -7.391 745 3HG1 VAL 96 3HG1 VAL 96 4.320 6.277 -7.955 746 1HG2 VAL 96 1HG2 VAL 96 5.401 6.841 -6.008 747 2HG2 VAL 96 2HG2 VAL 96 4.082 7.330 -4.917 748 3HG2 VAL 96 3HG2 VAL 96 5.130 5.956 -4.487 749 H HIS 97 H HIS 97 0.097 5.903 -6.261 750 HA HIS 97 HA HIS 97 -0.278 3.160 -7.210 751 1HB HIS 97 1HB HIS 97 -1.591 3.937 -5.068 752 2HB HIS 97 2HB HIS 97 -2.599 4.791 -6.220 753 HD1 HIS 97 1HD HIS 97 -4.581 3.172 -5.523 754 HD2 HIS 97 2HD HIS 97 -1.333 1.307 -7.411 755 HE1 HIS 97 1HE HIS 97 -5.392 0.854 -6.216 756 H SER 98 H SER 98 -0.915 2.989 -9.331 757 HA SER 98 HA SER 98 -2.056 5.336 -10.561 758 1HB SER 98 1HB SER 98 0.333 3.931 -11.824 759 2HB SER 98 2HB SER 98 -0.462 5.385 -12.393 760 HG SER 98 HG SER 98 0.416 6.584 -10.728 761 H GLY 99 H GLY 99 -3.034 4.804 -12.733 762 1HA GLY 99 1HA GLY 99 -3.445 2.986 -14.326 763 2HA GLY 99 2HA GLY 99 -3.624 1.911 -12.954 764 H TRP 100 H TRP 100 -4.914 5.130 -14.070 765 HA TRP 100 HA TRP 100 -7.585 4.131 -13.359 766 1HB TRP 100 1HB TRP 100 -6.542 6.934 -12.910 767 2HB TRP 100 2HB TRP 100 -8.180 6.382 -12.619 768 HD1 TRP 100 HD TRP 100 -4.656 6.159 -11.095 769 HE1 TRP 100 1HE TRP 100 -4.734 5.242 -8.622 770 HE3 TRP 100 3HE TRP 100 -9.583 4.903 -11.157 771 HZ2 TRP 100 2HZ TRP 100 -6.801 4.120 -7.005 772 HZ3 TRP 100 3HZ TRP 100 -10.553 3.903 -9.090 773 HH2 TRP 100 HH TRP 100 -9.246 3.507 -7.063 774 H LYS 101 H LYS 101 -9.208 5.942 -14.473 775 HA LYS 101 HA LYS 101 -8.215 6.215 -17.226 776 1HB LYS 101 1HB LYS 101 -11.011 5.526 -16.271 777 2HB LYS 101 2HB LYS 101 -10.573 5.858 -17.934 778 1HG LYS 101 1HG LYS 101 -8.911 3.966 -17.852 779 2HG LYS 101 2HG LYS 101 -9.411 3.619 -16.208 780 1HD LYS 101 1HD LYS 101 -11.659 3.033 -16.917 781 2HD LYS 101 2HD LYS 101 -11.389 3.668 -18.528 782 1HE LYS 101 1HE LYS 101 -9.458 1.558 -17.657 783 2HE LYS 101 2HE LYS 101 -11.112 1.016 -17.857 784 1HZ LYS 101 1HZ LYS 101 -11.110 1.717 -20.067 785 2HZ LYS 101 2HZ LYS 101 -9.745 2.599 -19.908 786 3HZ LYS 101 3HZ LYS 101 -9.671 0.968 -19.875 787 H GLN 102 H GLN 102 -10.281 7.780 -18.263 788 HA GLN 102 HA GLN 102 -9.475 10.281 -17.436 789 1HB GLN 102 1HB GLN 102 -11.361 11.107 -18.861 790 2HB GLN 102 2HB GLN 102 -10.382 9.895 -19.663 791 1HG GLN 102 1HG GLN 102 -12.064 8.136 -18.966 792 2HG GLN 102 2HG GLN 102 -13.061 9.403 -18.280 793 1HE2 GLN 102 1HE2 GLN 102 -14.771 9.459 -19.560 794 2HE2 GLN 102 2HE2 GLN 102 -14.767 9.720 -21.273 795 H GLY 103 H GLY 103 -10.963 12.073 -16.582 796 1HA GLY 103 1HA GLY 103 -12.205 11.123 -14.140 797 2HA GLY 103 2HA GLY 103 -11.887 12.781 -14.611 798 H ASP 104 H ASP 104 -13.946 9.933 -15.526 799 HA ASP 104 HA ASP 104 -16.274 11.448 -15.339 800 1HB ASP 104 1HB ASP 104 -15.073 12.104 -17.651 801 2HB ASP 104 2HB ASP 104 -15.783 10.597 -18.196 802 H THR 105 H THR 105 -14.610 8.770 -17.151 803 HA THR 105 HA THR 105 -16.673 7.031 -17.516 804 HB THR 105 HB THR 105 -14.702 5.297 -17.132 805 HG1 THR 105 1HG THR 105 -12.669 6.530 -17.014 806 1HG2 THR 105 1HG2 THR 105 -13.654 5.906 -19.232 807 2HG2 THR 105 2HG2 THR 105 -15.367 6.365 -19.391 808 3HG2 THR 105 3HG2 THR 105 -14.140 7.609 -19.051 809 H LYS 106 H LYS 106 -17.183 4.953 -16.361 810 HA LYS 106 HA LYS 106 -17.142 5.413 -13.461 811 1HB LYS 106 1HB LYS 106 -19.348 5.979 -14.211 812 2HB LYS 106 2HB LYS 106 -19.457 4.541 -15.206 813 1HG LYS 106 1HG LYS 106 -19.137 3.181 -13.023 814 2HG LYS 106 2HG LYS 106 -19.394 4.686 -12.162 815 1HD LYS 106 1HD LYS 106 -21.422 4.115 -14.270 816 2HD LYS 106 2HD LYS 106 -21.407 2.961 -12.951 817 1HE LYS 106 1HE LYS 106 -22.754 4.492 -11.901 818 2HE LYS 106 2HE LYS 106 -21.245 5.301 -11.526 819 1HZ LYS 106 1HZ LYS 106 -22.648 6.863 -12.527 820 2HZ LYS 106 2HZ LYS 106 -21.540 6.496 -13.669 821 3HZ LYS 106 3HZ LYS 106 -23.048 5.877 -13.766 822 H VAL 107 H VAL 107 -17.068 3.488 -12.144 823 HA VAL 107 HA VAL 107 -15.615 1.385 -13.474 824 HB VAL 107 HB VAL 107 -16.399 1.812 -10.584 825 1HG1 VAL 107 1HG1 VAL 107 -15.784 -0.582 -11.537 826 2HG1 VAL 107 2HG1 VAL 107 -14.124 0.053 -11.429 827 3HG1 VAL 107 3HG1 VAL 107 -15.147 -0.018 -9.973 828 1HG2 VAL 107 1HG2 VAL 107 -14.874 3.460 -10.705 829 2HG2 VAL 107 2HG2 VAL 107 -13.673 2.148 -10.762 830 3HG2 VAL 107 3HG2 VAL 107 -14.247 2.895 -12.272 831 H GLU 108 H GLU 108 -16.951 0.131 -14.749 832 HA GLU 108 HA GLU 108 -19.560 -0.511 -13.921 833 1HB GLU 108 1HB GLU 108 -18.451 -0.428 -16.323 834 2HB GLU 108 2HB GLU 108 -18.033 -2.098 -15.995 835 1HG GLU 108 1HG GLU 108 -20.196 -2.817 -16.224 836 2HG GLU 108 2HG GLU 108 -20.844 -1.468 -15.313 837 H LYS 109 H LYS 109 -18.577 -1.216 -11.667 838 HA LYS 109 HA LYS 109 -18.849 -4.024 -11.542 839 1HB LYS 109 1HB LYS 109 -16.479 -3.807 -12.383 840 2HB LYS 109 2HB LYS 109 -16.075 -2.998 -10.883 841 1HG LYS 109 1HG LYS 109 -16.627 -4.946 -9.563 842 2HG LYS 109 2HG LYS 109 -17.431 -5.725 -10.911 843 1HD LYS 109 1HD LYS 109 -15.249 -5.877 -12.127 844 2HD LYS 109 2HD LYS 109 -14.443 -5.096 -10.782 845 1HE LYS 109 1HE LYS 109 -15.521 -7.050 -9.344 846 2HE LYS 109 2HE LYS 109 -15.691 -7.857 -10.890 847 1HZ LYS 109 1HZ LYS 109 -13.621 -8.480 -10.178 848 2HZ LYS 109 2HZ LYS 109 -13.246 -7.235 -11.167 849 3HZ LYS 109 3HZ LYS 109 -13.242 -7.022 -9.548 850 H ALA 110 H ALA 110 -17.157 -1.333 -9.769 851 HA ALA 110 HA ALA 110 -18.261 -2.178 -7.288 852 1HB ALA 110 1HB ALA 110 -17.176 0.585 -7.697 853 2HB ALA 110 2HB ALA 110 -16.863 -0.583 -6.390 854 3HB ALA 110 3HB ALA 110 -16.074 -0.785 -7.973 855 H GLY 111 H GLY 111 -18.722 0.835 -9.282 856 1HA GLY 111 1HA GLY 111 -21.273 1.066 -9.691 857 2HA GLY 111 2HA GLY 111 -21.310 1.223 -7.946 858 H ALA 112 H ALA 112 -19.082 2.720 -7.300 859 HA ALA 112 HA ALA 112 -19.900 5.305 -8.038 860 1HB ALA 112 1HB ALA 112 -17.833 4.011 -6.350 861 2HB ALA 112 2HB ALA 112 -17.397 5.622 -6.969 862 3HB ALA 112 3HB ALA 112 -18.880 5.410 -6.008 863 H GLU 113 H GLU 113 -18.299 6.973 -8.978 864 HA GLU 113 HA GLU 113 -17.403 5.867 -11.471 865 1HB GLU 113 1HB GLU 113 -17.564 8.734 -10.445 866 2HB GLU 113 2HB GLU 113 -17.032 8.303 -12.059 867 1HG GLU 113 1HG GLU 113 -19.168 8.010 -12.782 868 2HG GLU 113 2HG GLU 113 -19.555 6.961 -11.432 869 H SER 114 H SER 114 -15.222 6.649 -12.387 870 HA SER 114 HA SER 114 -13.203 5.705 -10.851 871 1HB SER 114 1HB SER 114 -13.072 6.042 -13.300 872 2HB SER 114 2HB SER 114 -13.062 7.781 -13.082 873 HG SER 114 HG SER 114 -10.943 6.188 -13.168 874 H ALA 115 H ALA 115 -14.549 9.015 -11.057 875 HA ALA 115 HA ALA 115 -12.453 10.289 -9.666 876 1HB ALA 115 1HB ALA 115 -14.205 12.088 -9.386 877 2HB ALA 115 2HB ALA 115 -13.963 11.551 -11.065 878 3HB ALA 115 3HB ALA 115 -15.376 10.983 -10.143 879 H VAL 116 H VAL 116 -15.747 9.147 -8.629 880 HA VAL 116 HA VAL 116 -15.431 9.774 -5.949 881 HB VAL 116 HB VAL 116 -17.057 7.657 -7.363 882 1HG1 VAL 116 1HG1 VAL 116 -18.482 7.805 -5.224 883 2HG1 VAL 116 2HG1 VAL 116 -16.974 6.861 -5.150 884 3HG1 VAL 116 3HG1 VAL 116 -17.032 8.502 -4.461 885 1HG2 VAL 116 1HG2 VAL 116 -18.363 9.356 -7.973 886 2HG2 VAL 116 2HG2 VAL 116 -18.633 9.758 -6.260 887 3HG2 VAL 116 3HG2 VAL 116 -17.283 10.505 -7.148 888 H VAL 117 H VAL 117 -14.681 6.733 -7.765 889 HA VAL 117 HA VAL 117 -13.812 5.321 -5.500 890 HB VAL 117 HB VAL 117 -13.366 5.050 -8.468 891 1HG1 VAL 117 1HG1 VAL 117 -11.393 4.147 -7.240 892 2HG1 VAL 117 2HG1 VAL 117 -12.487 3.066 -6.345 893 3HG1 VAL 117 3HG1 VAL 117 -12.318 2.899 -8.109 894 1HG2 VAL 117 1HG2 VAL 117 -14.838 3.137 -6.662 895 2HG2 VAL 117 2HG2 VAL 117 -15.628 4.613 -7.267 896 3HG2 VAL 117 3HG2 VAL 117 -15.013 3.398 -8.414 897 H HIS 118 H HIS 118 -12.077 7.284 -8.000 898 HA HIS 118 HA HIS 118 -9.522 6.811 -7.209 899 1HB HIS 118 1HB HIS 118 -9.760 8.048 -9.148 900 2HB HIS 118 2HB HIS 118 -10.926 9.150 -8.444 901 HD1 HIS 118 1HD HIS 118 -9.975 11.435 -8.200 902 HD2 HIS 118 2HD HIS 118 -7.075 8.465 -7.598 903 HE1 HIS 118 1HE HIS 118 -7.793 12.658 -7.698 904 H GLU 119 H GLU 119 -11.797 9.324 -5.914 905 HA GLU 119 HA GLU 119 -9.942 10.217 -4.011 906 1HB GLU 119 1HB GLU 119 -12.942 10.556 -4.348 907 2HB GLU 119 2HB GLU 119 -12.098 11.249 -2.977 908 1HG GLU 119 1HG GLU 119 -10.478 12.307 -4.719 909 2HG GLU 119 2HG GLU 119 -11.665 11.859 -5.928 910 H ARG 120 H ARG 120 -12.782 7.976 -3.887 911 HA ARG 120 HA ARG 120 -12.813 7.542 -1.213 912 1HB ARG 120 1HB ARG 120 -13.703 6.095 -3.645 913 2HB ARG 120 2HB ARG 120 -13.402 5.022 -2.292 914 1HG ARG 120 1HG ARG 120 -14.804 6.785 -0.904 915 2HG ARG 120 2HG ARG 120 -15.372 7.322 -2.473 916 1HD ARG 120 1HD ARG 120 -15.554 4.480 -2.543 917 2HD ARG 120 2HD ARG 120 -16.142 4.942 -0.958 918 HE ARG 120 HE ARG 120 -17.478 5.409 -3.477 919 1HH1 ARG 120 2HH2 ARG 120 -16.964 6.844 -0.306 920 2HH1 ARG 120 1HH2 ARG 120 -18.445 7.742 -0.331 921 1HH2 ARG 120 2HH1 ARG 120 -19.432 6.594 -3.511 922 2HH2 ARG 120 1HH1 ARG 120 -19.858 7.599 -2.166 923 H MET 121 H MET 121 -11.230 5.374 -3.688 924 HA MET 121 HA MET 121 -9.915 3.814 -1.851 925 1HB MET 121 1HB MET 121 -9.944 4.286 -4.745 926 2HB MET 121 2HB MET 121 -8.298 4.000 -4.218 927 1HG MET 121 1HG MET 121 -10.595 2.174 -3.386 928 2HG MET 121 2HG MET 121 -9.695 1.916 -4.868 929 1HE MET 121 1HE MET 121 -7.071 0.591 -4.725 930 2HE MET 121 2HE MET 121 -7.580 -0.647 -3.552 931 3HE MET 121 3HE MET 121 -8.751 0.002 -4.725 932 H ASP 122 H ASP 122 -9.043 6.964 -3.295 933 HA ASP 122 HA ASP 122 -6.359 6.916 -2.630 934 1HB ASP 122 1HB ASP 122 -7.103 8.607 -4.140 935 2HB ASP 122 2HB ASP 122 -8.401 9.113 -3.078 936 H ARG 123 H ARG 123 -9.263 8.360 -0.966 937 HA ARG 123 HA ARG 123 -8.018 9.436 1.170 938 1HB ARG 123 1HB ARG 123 -10.751 8.273 0.679 939 2HB ARG 123 2HB ARG 123 -10.330 8.603 2.348 940 1HG ARG 123 1HG ARG 123 -9.464 10.898 0.929 941 2HG ARG 123 2HG ARG 123 -11.004 10.485 0.200 942 1HD ARG 123 1HD ARG 123 -11.505 10.160 2.941 943 2HD ARG 123 2HD ARG 123 -10.434 11.547 2.902 944 HE ARG 123 HE ARG 123 -13.177 11.453 1.937 945 1HH1 ARG 123 2HH2 ARG 123 -10.065 13.022 1.451 946 2HH1 ARG 123 1HH2 ARG 123 -10.751 14.456 0.762 947 1HH2 ARG 123 2HH1 ARG 123 -14.083 13.343 1.028 948 2HH2 ARG 123 1HH1 ARG 123 -13.052 14.639 0.519 949 H GLY 124 H GLY 124 -9.573 6.138 1.047 950 1HA GLY 124 1HA GLY 124 -8.725 5.245 3.535 951 2HA GLY 124 2HA GLY 124 -9.133 4.237 2.161 952 H TRP 125 H TRP 125 -7.003 5.476 0.411 953 HA TRP 125 HA TRP 125 -4.968 3.652 0.938 954 1HB TRP 125 1HB TRP 125 -5.589 5.680 -1.014 955 2HB TRP 125 2HB TRP 125 -3.891 5.760 -0.588 956 HD1 TRP 125 HD TRP 125 -6.014 4.051 -3.001 957 HE1 TRP 125 1HE TRP 125 -4.948 1.877 -4.050 958 HE3 TRP 125 3HE TRP 125 -2.325 3.553 0.463 959 HZ2 TRP 125 2HZ TRP 125 -2.732 0.230 -3.330 960 HZ3 TRP 125 3HZ TRP 125 -0.752 1.634 0.217 961 HH2 TRP 125 HH TRP 125 -0.912 0.006 -1.599 962 H HIS 126 H HIS 126 -5.268 7.213 1.571 963 HA HIS 126 HA HIS 126 -2.741 7.400 2.790 964 1HB HIS 126 1HB HIS 126 -4.075 9.263 1.744 965 2HB HIS 126 2HB HIS 126 -5.129 9.229 3.143 966 HD1 HIS 126 1HD HIS 126 -1.345 8.880 3.362 967 HD2 HIS 126 2HD HIS 126 -4.357 11.674 4.211 968 HE1 HIS 126 1HE HIS 126 -0.224 10.767 4.664 969 H ASP 127 H ASP 127 -6.116 7.157 4.099 970 HA ASP 127 HA ASP 127 -5.481 7.296 6.735 971 1HB ASP 127 1HB ASP 127 -7.570 5.452 5.484 972 2HB ASP 127 2HB ASP 127 -7.589 6.055 7.129 973 H LEU 128 H LEU 128 -5.220 4.602 4.389 974 HA LEU 128 HA LEU 128 -4.851 2.545 6.280 975 1HB LEU 128 1HB LEU 128 -5.581 2.007 4.095 976 2HB LEU 128 2HB LEU 128 -4.231 2.839 3.348 977 HG LEU 128 HG LEU 128 -2.686 1.132 4.309 978 1HD1 LEU 128 1HD1 LEU 128 -4.080 -1.068 4.920 979 2HD1 LEU 128 2HD1 LEU 128 -3.562 0.121 6.140 980 3HD1 LEU 128 3HD1 LEU 128 -5.227 0.160 5.511 981 1HD2 LEU 128 1HD2 LEU 128 -4.786 0.594 2.288 982 2HD2 LEU 128 2HD2 LEU 128 -3.012 0.572 2.147 983 3HD2 LEU 128 3HD2 LEU 128 -3.865 -0.815 2.866 984 H VAL 129 H VAL 129 -2.518 4.460 4.258 985 HA VAL 129 HA VAL 129 -0.357 3.428 5.904 986 HB VAL 129 HB VAL 129 -0.211 3.468 3.436 987 1HG1 VAL 129 1HG1 VAL 129 0.458 6.004 2.698 988 2HG1 VAL 129 2HG1 VAL 129 -1.154 5.283 2.472 989 3HG1 VAL 129 3HG1 VAL 129 -0.836 6.328 3.877 990 1HG2 VAL 129 1HG2 VAL 129 1.985 5.200 3.723 991 2HG2 VAL 129 2HG2 VAL 129 1.726 4.491 5.335 992 3HG2 VAL 129 3HG2 VAL 129 1.968 3.432 3.924 993 H ASN 130 H ASN 130 -2.275 5.021 7.293 994 HA ASN 130 HA ASN 130 -0.694 7.440 7.689 995 1HB ASN 130 1HB ASN 130 -3.596 7.004 7.395 996 2HB ASN 130 2HB ASN 130 -3.232 7.833 8.896 997 1HD2 ASN 130 1HD2 ASN 130 -1.089 9.345 8.359 998 2HD2 ASN 130 2HD2 ASN 130 -1.417 10.533 7.142 999 H GLU 131 H GLU 131 -3.199 5.373 9.367 1000 HA GLU 131 HA GLU 131 -1.432 5.391 11.689 1001 1HB GLU 131 1HB GLU 131 -3.463 5.366 13.124 1002 2HB GLU 131 2HB GLU 131 -3.378 6.812 12.138 1003 1HG GLU 131 1HG GLU 131 -5.538 6.277 11.585 1004 2HG GLU 131 2HG GLU 131 -4.784 5.182 10.443 1005 H ARG 132 H ARG 132 -3.870 3.651 9.706 1006 HA ARG 132 HA ARG 132 -4.068 1.367 11.140 1007 1HB ARG 132 1HB ARG 132 -3.940 1.655 8.095 1008 2HB ARG 132 2HB ARG 132 -4.586 0.258 8.933 1009 1HG ARG 132 1HG ARG 132 -5.712 2.913 9.753 1010 2HG ARG 132 2HG ARG 132 -6.118 2.376 8.135 1011 1HD ARG 132 1HD ARG 132 -6.900 0.171 9.106 1012 2HD ARG 132 2HD ARG 132 -6.577 0.794 10.712 1013 HE ARG 132 HE ARG 132 -8.294 2.573 9.157 1014 1HH1 ARG 132 2HH2 ARG 132 -8.256 -0.290 11.203 1015 2HH1 ARG 132 1HH2 ARG 132 -9.909 -0.121 11.690 1016 1HH2 ARG 132 2HH1 ARG 132 -10.476 2.796 9.799 1017 2HH2 ARG 132 1HH1 ARG 132 -11.181 1.646 10.885 1018 H LEU 133 H LEU 133 -1.469 2.458 8.919 1019 HA LEU 133 HA LEU 133 -0.120 -0.084 9.054 1020 1HB LEU 133 1HB LEU 133 0.020 1.002 6.987 1021 2HB LEU 133 2HB LEU 133 0.401 2.551 7.713 1022 HG LEU 133 HG LEU 133 2.630 1.806 8.298 1023 1HD1 LEU 133 1HD1 LEU 133 1.501 -0.854 7.762 1024 2HD1 LEU 133 2HD1 LEU 133 3.123 -0.596 7.077 1025 3HD1 LEU 133 3HD1 LEU 133 2.845 -0.360 8.820 1026 1HD2 LEU 133 1HD2 LEU 133 2.575 0.811 5.519 1027 2HD2 LEU 133 2HD2 LEU 133 1.773 2.378 5.784 1028 3HD2 LEU 133 3HD2 LEU 133 3.478 2.161 6.247 1029 H ARG 134 H ARG 134 0.269 3.265 10.352 1030 HA ARG 134 HA ARG 134 2.672 2.889 11.568 1031 1HB ARG 134 1HB ARG 134 1.311 5.051 11.353 1032 2HB ARG 134 2HB ARG 134 0.346 4.513 12.713 1033 1HG ARG 134 1HG ARG 134 2.981 4.184 13.627 1034 2HG ARG 134 2HG ARG 134 3.066 5.658 12.684 1035 1HD ARG 134 1HD ARG 134 0.833 6.286 14.005 1036 2HD ARG 134 2HD ARG 134 1.397 5.079 15.143 1037 HE ARG 134 HE ARG 134 3.645 6.650 14.707 1038 1HH1 ARG 134 2HH2 ARG 134 0.340 7.317 15.716 1039 2HH1 ARG 134 1HH2 ARG 134 0.773 8.702 16.661 1040 1HH2 ARG 134 2HH1 ARG 134 4.216 8.477 15.955 1041 2HH2 ARG 134 1HH1 ARG 134 2.992 9.366 16.798 1042 H GLN 135 H GLN 135 -0.607 1.869 12.548 1043 HA GLN 135 HA GLN 135 -0.007 1.341 15.214 1044 1HB GLN 135 1HB GLN 135 -2.276 1.290 13.614 1045 2HB GLN 135 2HB GLN 135 -2.041 -0.412 13.959 1046 1HG GLN 135 1HG GLN 135 -1.607 0.661 16.456 1047 2HG GLN 135 2HG GLN 135 -2.754 1.820 15.812 1048 1HE2 GLN 135 1HE2 GLN 135 -2.654 -0.654 17.740 1049 2HE2 GLN 135 2HE2 GLN 135 -4.129 -1.496 17.401 1050 H ILE 136 H ILE 136 1.145 -0.111 12.357 1051 HA ILE 136 HA ILE 136 1.293 -2.790 13.391 1052 HB ILE 136 HB ILE 136 2.566 -1.544 10.952 1053 1HG1 ILE 136 1HG1 ILE 136 0.190 -1.266 10.784 1054 2HG1 ILE 136 2HG1 ILE 136 0.673 -2.572 9.720 1055 1HG2 ILE 136 1HG2 ILE 136 1.967 -4.467 11.366 1056 2HG2 ILE 136 2HG2 ILE 136 3.061 -3.692 10.195 1057 3HG2 ILE 136 3HG2 ILE 136 3.496 -3.743 11.920 1058 1HD1 ILE 136 1HD1 ILE 136 0.170 -3.949 12.069 1059 2HD1 ILE 136 2HD1 ILE 136 -1.040 -2.645 12.137 1060 3HD1 ILE 136 3HD1 ILE 136 -0.997 -3.747 10.740 1061 H VAL 137 H VAL 137 3.181 0.179 13.453 1062 HA VAL 137 HA VAL 137 5.425 -1.340 14.585 1063 HB VAL 137 HB VAL 137 6.761 0.672 14.029 1064 1HG1 VAL 137 1HG1 VAL 137 7.269 -0.185 12.002 1065 2HG1 VAL 137 2HG1 VAL 137 6.053 -1.415 12.422 1066 3HG1 VAL 137 3HG1 VAL 137 5.601 -0.029 11.401 1067 1HG2 VAL 137 1HG2 VAL 137 5.925 2.451 12.708 1068 2HG2 VAL 137 2HG2 VAL 137 4.406 1.590 12.364 1069 3HG2 VAL 137 3HG2 VAL 137 4.725 2.214 14.000 1070 H GLU 138 H GLU 138 2.866 0.994 15.134 1071 HA GLU 138 HA GLU 138 4.118 1.827 17.607 1072 1HB GLU 138 1HB GLU 138 1.968 2.892 15.832 1073 2HB GLU 138 2HB GLU 138 1.723 3.156 17.547 1074 1HG GLU 138 1HG GLU 138 4.504 3.708 16.723 1075 2HG GLU 138 2HG GLU 138 3.349 4.694 15.848 Start of MODEL 16 1 1H MET 1 H MET 1 -8.982 17.098 -21.563 2 HA MET 1 HA MET 1 -8.631 17.242 -19.419 3 1HB MET 1 1HB MET 1 -9.420 14.401 -19.752 4 2HB MET 1 2HB MET 1 -8.385 14.633 -18.357 5 1HG MET 1 1HG MET 1 -10.656 16.581 -18.755 6 2HG MET 1 2HG MET 1 -11.055 14.965 -18.207 7 1HE MET 1 1HE MET 1 -10.215 18.440 -16.974 8 2HE MET 1 2HE MET 1 -11.695 17.495 -16.680 9 3HE MET 1 3HE MET 1 -10.636 17.938 -15.319 10 H THR 2 H THR 2 -7.028 16.145 -17.533 11 HA THR 2 HA THR 2 -4.445 15.791 -18.910 12 HB THR 2 HB THR 2 -3.506 17.072 -16.946 13 HG1 THR 2 1HG THR 2 -5.519 16.396 -15.667 14 1HG2 THR 2 1HG2 THR 2 -5.833 18.725 -17.975 15 2HG2 THR 2 2HG2 THR 2 -4.151 19.228 -17.677 16 3HG2 THR 2 3HG2 THR 2 -4.546 18.242 -19.106 17 H ARG 3 H ARG 3 -6.065 13.571 -18.425 18 HA ARG 3 HA ARG 3 -6.075 11.629 -17.476 19 1HB ARG 3 1HB ARG 3 -3.210 12.448 -16.819 20 2HB ARG 3 2HB ARG 3 -3.819 10.856 -16.413 21 1HG ARG 3 1HG ARG 3 -3.490 10.152 -18.541 22 2HG ARG 3 2HG ARG 3 -4.564 11.398 -19.146 23 1HD ARG 3 1HD ARG 3 -2.344 12.921 -18.637 24 2HD ARG 3 2HD ARG 3 -1.571 11.386 -18.979 25 HE ARG 3 HE ARG 3 -3.029 13.073 -20.883 26 1HH1 ARG 3 2HH2 ARG 3 -1.869 9.820 -20.209 27 2HH1 ARG 3 1HH2 ARG 3 -1.872 9.336 -21.872 28 1HH2 ARG 3 2HH1 ARG 3 -3.034 12.435 -23.078 29 2HH2 ARG 3 1HH1 ARG 3 -2.539 10.834 -23.515 30 H LEU 4 H LEU 4 -5.501 10.375 -15.199 31 HA LEU 4 HA LEU 4 -6.659 12.103 -13.173 32 1HB LEU 4 1HB LEU 4 -6.395 9.152 -13.585 33 2HB LEU 4 2HB LEU 4 -6.649 9.772 -11.965 34 HG LEU 4 HG LEU 4 -8.477 10.546 -14.236 35 1HD1 LEU 4 1HD1 LEU 4 -9.370 8.365 -12.449 36 2HD1 LEU 4 2HD1 LEU 4 -9.657 8.628 -14.185 37 3HD1 LEU 4 3HD1 LEU 4 -8.115 7.933 -13.634 38 1HD2 LEU 4 1HD2 LEU 4 -8.572 11.875 -12.167 39 2HD2 LEU 4 2HD2 LEU 4 -10.079 10.974 -12.461 40 3HD2 LEU 4 3HD2 LEU 4 -8.919 10.395 -11.242 41 HA PRO 5 HA PRO 5 -2.949 12.542 -11.014 42 1HB PRO 5 1HB PRO 5 -3.840 12.998 -8.471 43 2HB PRO 5 2HB PRO 5 -3.817 14.233 -9.714 44 1HG PRO 5 1HG PRO 5 -6.125 12.732 -8.636 45 2HG PRO 5 2HG PRO 5 -6.117 14.232 -9.543 46 1HD PRO 5 1HD PRO 5 -6.789 11.627 -10.539 47 2HD PRO 5 2HD PRO 5 -6.669 13.107 -11.471 48 H ASP 6 H ASP 6 -1.307 11.497 -9.911 49 HA ASP 6 HA ASP 6 -1.910 8.764 -9.525 50 1HB ASP 6 1HB ASP 6 0.543 8.784 -8.636 51 2HB ASP 6 2HB ASP 6 0.274 9.162 -10.326 52 H ILE 7 H ILE 7 -2.570 7.822 -7.580 53 HA ILE 7 HA ILE 7 -2.949 9.457 -5.298 54 HB ILE 7 HB ILE 7 -3.160 6.460 -5.612 55 1HG1 ILE 7 1HG1 ILE 7 -5.302 8.581 -5.942 56 2HG1 ILE 7 2HG1 ILE 7 -4.521 7.730 -7.259 57 1HG2 ILE 7 1HG2 ILE 7 -3.351 8.115 -3.312 58 2HG2 ILE 7 2HG2 ILE 7 -4.995 7.569 -3.723 59 3HG2 ILE 7 3HG2 ILE 7 -3.700 6.376 -3.465 60 1HD1 ILE 7 1HD1 ILE 7 -6.563 6.545 -6.840 61 2HD1 ILE 7 2HD1 ILE 7 -5.277 5.540 -6.131 62 3HD1 ILE 7 3HD1 ILE 7 -6.293 6.556 -5.080 63 H LYS 8 H LYS 8 -0.651 10.236 -5.169 64 HA LYS 8 HA LYS 8 1.113 8.229 -3.983 65 1HB LYS 8 1HB LYS 8 2.208 9.301 -5.758 66 2HB LYS 8 2HB LYS 8 1.569 10.878 -5.343 67 1HG LYS 8 1HG LYS 8 2.896 10.726 -3.150 68 2HG LYS 8 2HG LYS 8 3.659 9.285 -3.791 69 1HD LYS 8 1HD LYS 8 3.826 11.263 -5.853 70 2HD LYS 8 2HD LYS 8 4.262 12.074 -4.362 71 1HE LYS 8 1HE LYS 8 6.323 11.139 -4.537 72 2HE LYS 8 2HE LYS 8 5.589 9.583 -4.204 73 1HZ LYS 8 1HZ LYS 8 5.765 9.001 -6.325 74 2HZ LYS 8 2HZ LYS 8 5.270 10.445 -6.905 75 3HZ LYS 8 3HZ LYS 8 6.830 10.230 -6.475 76 H LYS 9 H LYS 9 1.263 8.101 -1.814 77 HA LYS 9 HA LYS 9 0.699 10.558 -0.310 78 1HB LYS 9 1HB LYS 9 -0.212 7.749 0.384 79 2HB LYS 9 2HB LYS 9 -0.392 9.156 1.412 80 1HG LYS 9 1HG LYS 9 -1.422 9.390 -1.404 81 2HG LYS 9 2HG LYS 9 -2.322 8.353 -0.316 82 1HD LYS 9 1HD LYS 9 -2.622 10.186 1.288 83 2HD LYS 9 2HD LYS 9 -1.554 11.227 0.368 84 1HE LYS 9 1HE LYS 9 -3.122 11.293 -1.513 85 2HE LYS 9 2HE LYS 9 -4.134 10.065 -0.779 86 1HZ LYS 9 1HZ LYS 9 -4.885 12.381 -0.458 87 2HZ LYS 9 2HZ LYS 9 -4.715 11.546 0.936 88 3HZ LYS 9 3HZ LYS 9 -3.591 12.649 0.502 89 H GLU 10 H GLU 10 1.716 10.532 1.910 90 HA GLU 10 HA GLU 10 3.921 8.702 2.136 91 1HB GLU 10 1HB GLU 10 4.893 10.518 0.789 92 2HB GLU 10 2HB GLU 10 4.326 11.718 1.934 93 1HG GLU 10 1HG GLU 10 5.984 9.519 3.102 94 2HG GLU 10 2HG GLU 10 6.830 10.595 2.007 95 H VAL 11 H VAL 11 4.769 8.581 4.323 96 HA VAL 11 HA VAL 11 3.531 10.300 6.296 97 HB VAL 11 HB VAL 11 2.826 8.266 7.613 98 1HG1 VAL 11 1HG1 VAL 11 0.669 8.391 6.800 99 2HG1 VAL 11 2HG1 VAL 11 1.379 9.864 6.096 100 3HG1 VAL 11 3HG1 VAL 11 1.191 8.402 5.098 101 1HG2 VAL 11 1HG2 VAL 11 3.474 6.962 4.978 102 2HG2 VAL 11 2HG2 VAL 11 3.836 6.417 6.634 103 3HG2 VAL 11 3HG2 VAL 11 2.174 6.311 6.005 104 H ARG 12 H ARG 12 4.543 9.942 8.485 105 HA ARG 12 HA ARG 12 7.151 8.694 8.178 106 1HB ARG 12 1HB ARG 12 7.438 11.149 8.012 107 2HB ARG 12 2HB ARG 12 6.532 11.387 9.493 108 1HG ARG 12 1HG ARG 12 8.542 9.542 10.215 109 2HG ARG 12 2HG ARG 12 9.360 10.656 9.138 110 1HD ARG 12 1HD ARG 12 9.150 12.442 10.593 111 2HD ARG 12 2HD ARG 12 7.564 11.945 11.149 112 HE ARG 12 HE ARG 12 9.531 10.048 12.053 113 1HH1 ARG 12 2HH2 ARG 12 8.396 13.321 12.666 114 2HH1 ARG 12 1HH2 ARG 12 8.901 13.323 14.323 115 1HH2 ARG 12 2HH1 ARG 12 10.198 10.049 14.239 116 2HH2 ARG 12 1HH1 ARG 12 9.933 11.449 15.223 117 H PHE 13 H PHE 13 7.255 7.027 9.650 118 HA PHE 13 HA PHE 13 5.811 7.407 12.177 119 1HB PHE 13 1HB PHE 13 6.734 4.852 10.734 120 2HB PHE 13 2HB PHE 13 5.690 4.904 12.140 121 HD1 PHE 13 1HD PHE 13 5.272 3.696 9.269 122 HD2 PHE 13 2HD PHE 13 3.955 7.245 11.187 123 HE1 PHE 13 1HE PHE 13 3.258 3.758 7.772 124 HE2 PHE 13 2HE PHE 13 1.942 7.307 9.690 125 HZ PHE 13 HZ PHE 13 1.617 5.563 8.000 126 H ASN 14 H ASN 14 6.825 6.685 14.148 127 HA ASN 14 HA ASN 14 9.684 6.905 13.965 128 1HB ASN 14 1HB ASN 14 7.663 7.592 15.898 129 2HB ASN 14 2HB ASN 14 8.708 6.414 16.668 130 1HD2 ASN 14 1HD2 ASN 14 8.548 9.005 17.544 131 2HD2 ASN 14 2HD2 ASN 14 10.038 9.843 17.263 132 H ALA 15 H ALA 15 10.569 4.883 13.354 133 HA ALA 15 HA ALA 15 10.651 2.822 15.231 134 1HB ALA 15 1HB ALA 15 9.434 1.191 13.452 135 2HB ALA 15 2HB ALA 15 8.571 1.958 14.807 136 3HB ALA 15 3HB ALA 15 8.487 2.673 13.179 137 HA PRO 16 HA PRO 16 13.916 1.768 12.598 138 1HB PRO 16 1HB PRO 16 14.270 -0.910 13.013 139 2HB PRO 16 2HB PRO 16 14.836 0.316 14.130 140 1HG PRO 16 1HG PRO 16 12.509 -1.490 14.382 141 2HG PRO 16 2HG PRO 16 13.332 -0.579 15.633 142 1HD PRO 16 1HD PRO 16 10.816 0.064 14.415 143 2HD PRO 16 2HD PRO 16 11.694 1.034 15.581 144 H ILE 17 H ILE 17 14.150 1.776 10.457 145 HA ILE 17 HA ILE 17 12.103 0.999 8.816 146 HB ILE 17 HB ILE 17 13.966 2.484 8.227 147 1HG1 ILE 17 1HG1 ILE 17 13.933 0.267 6.194 148 2HG1 ILE 17 2HG1 ILE 17 12.456 1.134 6.568 149 1HG2 ILE 17 1HG2 ILE 17 16.130 1.682 7.628 150 2HG2 ILE 17 2HG2 ILE 17 15.756 1.051 9.250 151 3HG2 ILE 17 3HG2 ILE 17 15.628 -0.014 7.829 152 1HD1 ILE 17 1HD1 ILE 17 15.081 2.404 5.660 153 2HD1 ILE 17 2HD1 ILE 17 13.616 2.199 4.669 154 3HD1 ILE 17 3HD1 ILE 17 13.598 3.300 6.068 155 H GLU 18 H GLU 18 14.591 -0.951 10.394 156 HA GLU 18 HA GLU 18 14.523 -3.133 8.710 157 1HB GLU 18 1HB GLU 18 15.861 -2.449 11.020 158 2HB GLU 18 2HB GLU 18 14.800 -3.710 11.617 159 1HG GLU 18 1HG GLU 18 16.214 -4.262 9.024 160 2HG GLU 18 2HG GLU 18 17.209 -4.229 10.466 161 H LYS 19 H LYS 19 12.269 -1.999 11.210 162 HA LYS 19 HA LYS 19 10.843 -4.509 11.241 163 1HB LYS 19 1HB LYS 19 11.235 -2.628 13.133 164 2HB LYS 19 2HB LYS 19 9.709 -2.057 12.492 165 1HG LYS 19 1HG LYS 19 8.780 -4.406 12.759 166 2HG LYS 19 2HG LYS 19 10.284 -4.872 13.529 167 1HD LYS 19 1HD LYS 19 9.898 -3.001 15.229 168 2HD LYS 19 2HD LYS 19 8.315 -2.757 14.516 169 1HE LYS 19 1HE LYS 19 8.792 -5.599 15.109 170 2HE LYS 19 2HE LYS 19 8.981 -4.609 16.542 171 1HZ LYS 19 1HZ LYS 19 6.829 -3.709 16.200 172 2HZ LYS 19 2HZ LYS 19 6.659 -4.445 14.752 173 3HZ LYS 19 3HZ LYS 19 6.695 -5.335 16.120 174 H VAL 20 H VAL 20 10.153 -1.071 10.280 175 HA VAL 20 HA VAL 20 7.692 -1.585 9.130 176 HB VAL 20 HB VAL 20 9.734 0.478 8.288 177 1HG1 VAL 20 1HG1 VAL 20 7.900 1.788 7.522 178 2HG1 VAL 20 2HG1 VAL 20 7.657 0.152 6.865 179 3HG1 VAL 20 3HG1 VAL 20 6.712 0.695 8.272 180 1HG2 VAL 20 1HG2 VAL 20 7.816 1.542 10.116 181 2HG2 VAL 20 2HG2 VAL 20 8.524 0.081 10.848 182 3HG2 VAL 20 3HG2 VAL 20 9.581 1.408 10.307 183 H TRP 21 H TRP 21 11.011 -2.056 7.911 184 HA TRP 21 HA TRP 21 10.356 -2.352 5.207 185 1HB TRP 21 1HB TRP 21 12.609 -1.963 5.847 186 2HB TRP 21 2HB TRP 21 12.638 -3.366 6.897 187 HD1 TRP 21 HD TRP 21 14.204 -5.119 5.765 188 HE1 TRP 21 1HE TRP 21 14.619 -6.152 3.372 189 HE3 TRP 21 3HE TRP 21 10.857 -2.164 3.332 190 HZ2 TRP 21 2HZ TRP 21 13.526 -5.629 0.789 191 HZ3 TRP 21 3HZ TRP 21 10.592 -2.489 0.874 192 HH2 TRP 21 HH TRP 21 11.859 -4.150 -0.394 193 H GLU 22 H GLU 22 10.808 -4.763 7.893 194 HA GLU 22 HA GLU 22 10.068 -6.933 6.309 195 1HB GLU 22 1HB GLU 22 10.694 -6.404 9.141 196 2HB GLU 22 2HB GLU 22 9.488 -7.661 8.950 197 1HG GLU 22 1HG GLU 22 11.761 -7.884 7.048 198 2HG GLU 22 2HG GLU 22 12.231 -8.034 8.729 199 H ALA 23 H ALA 23 8.245 -4.588 8.284 200 HA ALA 23 HA ALA 23 5.847 -6.035 8.432 201 1HB ALA 23 1HB ALA 23 5.341 -4.269 9.724 202 2HB ALA 23 2HB ALA 23 6.896 -3.532 9.269 203 3HB ALA 23 3HB ALA 23 5.431 -3.175 8.322 204 H VAL 24 H VAL 24 7.528 -4.688 5.762 205 HA VAL 24 HA VAL 24 5.043 -4.761 4.197 206 HB VAL 24 HB VAL 24 5.825 -2.959 2.859 207 1HG1 VAL 24 1HG1 VAL 24 6.476 -1.336 5.015 208 2HG1 VAL 24 2HG1 VAL 24 4.836 -1.711 4.436 209 3HG1 VAL 24 3HG1 VAL 24 5.553 -2.664 5.757 210 1HG2 VAL 24 1HG2 VAL 24 8.322 -2.663 4.531 211 2HG2 VAL 24 2HG2 VAL 24 8.288 -3.702 3.086 212 3HG2 VAL 24 3HG2 VAL 24 7.946 -1.962 2.938 213 H SER 25 H SER 25 7.385 -6.693 4.987 214 HA SER 25 HA SER 25 8.143 -7.292 2.235 215 1HB SER 25 1HB SER 25 10.211 -8.087 2.977 216 2HB SER 25 2HB SER 25 9.932 -6.762 4.088 217 HG SER 25 HG SER 25 8.871 -8.541 5.485 218 H THR 26 H THR 26 6.914 -8.541 5.369 219 HA THR 26 HA THR 26 6.515 -11.186 4.210 220 HB THR 26 HB THR 26 6.201 -11.862 6.487 221 HG1 THR 26 1HG THR 26 5.602 -9.009 6.700 222 1HG2 THR 26 1HG2 THR 26 8.108 -11.080 7.618 223 2HG2 THR 26 2HG2 THR 26 8.518 -10.604 5.953 224 3HG2 THR 26 3HG2 THR 26 7.855 -9.401 7.085 225 H SER 27 H SER 27 4.245 -12.154 5.176 226 HA SER 27 HA SER 27 2.318 -10.501 3.796 227 1HB SER 27 1HB SER 27 2.076 -13.374 4.795 228 2HB SER 27 2HB SER 27 0.918 -12.547 3.772 229 HG SER 27 HG SER 27 3.129 -12.230 2.426 230 H GLU 28 H GLU 28 2.818 -12.263 6.922 231 HA GLU 28 HA GLU 28 0.415 -11.577 8.067 232 1HB GLU 28 1HB GLU 28 2.825 -12.882 8.843 233 2HB GLU 28 2HB GLU 28 2.546 -11.641 10.049 234 1HG GLU 28 1HG GLU 28 0.266 -13.438 9.160 235 2HG GLU 28 2HG GLU 28 1.420 -14.006 10.349 236 H GLY 29 H GLY 29 3.482 -9.765 7.748 237 1HA GLY 29 1HA GLY 29 2.752 -7.688 9.580 238 2HA GLY 29 2HA GLY 29 4.091 -7.701 8.450 239 H LEU 30 H LEU 30 2.364 -8.336 6.078 240 HA LEU 30 HA LEU 30 1.637 -5.630 5.495 241 1HB LEU 30 1HB LEU 30 2.112 -8.128 4.050 242 2HB LEU 30 2HB LEU 30 0.775 -7.202 3.397 243 HG LEU 30 HG LEU 30 3.270 -5.684 3.962 244 1HD1 LEU 30 1HD1 LEU 30 3.667 -6.696 1.374 245 2HD1 LEU 30 2HD1 LEU 30 4.647 -7.005 2.828 246 3HD1 LEU 30 3HD1 LEU 30 3.321 -8.112 2.397 247 1HD2 LEU 30 1HD2 LEU 30 1.748 -5.610 1.389 248 2HD2 LEU 30 2HD2 LEU 30 0.992 -4.943 2.856 249 3HD2 LEU 30 3HD2 LEU 30 2.551 -4.300 2.287 250 H ALA 31 H ALA 31 -0.137 -8.801 5.623 251 HA ALA 31 HA ALA 31 -2.660 -7.739 5.220 252 1HB ALA 31 1HB ALA 31 -1.904 -10.167 5.184 253 2HB ALA 31 2HB ALA 31 -1.968 -10.132 6.962 254 3HB ALA 31 3HB ALA 31 -3.450 -9.863 6.013 255 H PHE 32 H PHE 32 -0.483 -7.403 7.903 256 HA PHE 32 HA PHE 32 -2.322 -7.190 9.991 257 1HB PHE 32 1HB PHE 32 0.438 -7.067 9.559 258 2HB PHE 32 2HB PHE 32 0.085 -5.387 9.910 259 HD1 PHE 32 1HD PHE 32 1.393 -8.060 11.402 260 HD2 PHE 32 2HD PHE 32 -1.885 -5.430 11.987 261 HE1 PHE 32 1HE PHE 32 1.424 -8.568 13.860 262 HE2 PHE 32 2HE PHE 32 -1.854 -5.938 14.445 263 HZ PHE 32 HZ PHE 32 -0.200 -7.501 15.352 264 H TRP 33 H TRP 33 -1.559 -5.060 7.304 265 HA TRP 33 HA TRP 33 -3.365 -3.073 8.477 266 1HB TRP 33 1HB TRP 33 -1.942 -1.277 7.543 267 2HB TRP 33 2HB TRP 33 -1.225 -2.141 8.889 268 HD1 TRP 33 HD TRP 33 0.843 -3.894 8.217 269 HE1 TRP 33 1HE TRP 33 2.631 -3.885 6.276 270 HE3 TRP 33 3HE TRP 33 -1.666 -0.652 5.208 271 HZ2 TRP 33 2HZ TRP 33 2.792 -2.554 3.757 272 HZ3 TRP 33 3HZ TRP 33 -0.624 -0.050 3.025 273 HH2 TRP 33 HH TRP 33 1.527 -0.944 2.284 274 H PHE 34 H PHE 34 -1.549 -4.256 5.563 275 HA PHE 34 HA PHE 34 -3.296 -3.057 3.719 276 1HB PHE 34 1HB PHE 34 -1.027 -3.766 3.112 277 2HB PHE 34 2HB PHE 34 -1.299 -5.383 3.732 278 HD1 PHE 34 1HD PHE 34 -0.586 -6.450 1.690 279 HD2 PHE 34 2HD PHE 34 -3.809 -3.690 1.660 280 HE1 PHE 34 1HE PHE 34 -1.227 -7.224 -0.610 281 HE2 PHE 34 2HE PHE 34 -4.451 -4.464 -0.640 282 HZ PHE 34 HZ PHE 34 -3.152 -6.222 -1.747 283 H MET 35 H MET 35 -2.785 -6.599 3.655 284 HA MET 35 HA MET 35 -5.323 -7.292 4.546 285 1HB MET 35 1HB MET 35 -5.148 -6.334 1.786 286 2HB MET 35 2HB MET 35 -5.580 -8.033 1.775 287 1HG MET 35 1HG MET 35 -7.403 -7.486 3.495 288 2HG MET 35 2HG MET 35 -7.041 -5.790 3.246 289 1HE MET 35 1HE MET 35 -7.468 -5.764 -0.768 290 2HE MET 35 2HE MET 35 -6.473 -5.141 0.571 291 3HE MET 35 3HE MET 35 -6.142 -6.752 -0.110 292 H GLU 36 H GLU 36 -5.829 -9.675 3.992 293 HA GLU 36 HA GLU 36 -3.603 -11.182 4.523 294 1HB GLU 36 1HB GLU 36 -6.411 -11.761 3.622 295 2HB GLU 36 2HB GLU 36 -5.253 -13.073 3.531 296 1HG GLU 36 1HG GLU 36 -4.906 -11.731 6.074 297 2HG GLU 36 2HG GLU 36 -6.613 -12.065 5.857 298 H ASN 37 H ASN 37 -2.176 -12.451 3.275 299 HA ASN 37 HA ASN 37 -2.592 -12.959 0.580 300 1HB ASN 37 1HB ASN 37 -0.974 -11.456 -0.476 301 2HB ASN 37 2HB ASN 37 -2.113 -10.468 0.418 302 1HD2 ASN 37 1HD2 ASN 37 -1.419 -10.403 2.904 303 2HD2 ASN 37 2HD2 ASN 37 0.200 -9.851 3.176 304 H ASP 38 H ASP 38 0.045 -13.241 -0.352 305 HA ASP 38 HA ASP 38 1.452 -14.516 1.847 306 1HB ASP 38 1HB ASP 38 0.052 -16.045 0.136 307 2HB ASP 38 2HB ASP 38 1.453 -15.800 -0.887 308 H LEU 39 H LEU 39 1.729 -11.918 0.339 309 HA LEU 39 HA LEU 39 3.488 -11.889 -1.710 310 1HB LEU 39 1HB LEU 39 2.549 -9.876 -0.998 311 2HB LEU 39 2HB LEU 39 3.104 -10.079 0.652 312 HG LEU 39 HG LEU 39 5.332 -9.953 -1.230 313 1HD1 LEU 39 1HD1 LEU 39 3.173 -7.927 -1.453 314 2HD1 LEU 39 2HD1 LEU 39 4.844 -7.319 -1.369 315 3HD1 LEU 39 3HD1 LEU 39 4.379 -8.468 -2.646 316 1HD2 LEU 39 1HD2 LEU 39 6.314 -9.180 0.601 317 2HD2 LEU 39 2HD2 LEU 39 5.207 -7.788 0.661 318 3HD2 LEU 39 3HD2 LEU 39 4.758 -9.316 1.455 319 H LYS 40 H LYS 40 5.804 -11.764 -1.932 320 HA LYS 40 HA LYS 40 7.341 -12.598 0.385 321 1HB LYS 40 1HB LYS 40 6.431 -14.623 -1.014 322 2HB LYS 40 2HB LYS 40 7.683 -14.172 -2.153 323 1HG LYS 40 1HG LYS 40 9.331 -15.006 -0.823 324 2HG LYS 40 2HG LYS 40 8.725 -14.161 0.588 325 1HD LYS 40 1HD LYS 40 7.008 -16.432 -0.247 326 2HD LYS 40 2HD LYS 40 8.633 -16.918 0.195 327 1HE LYS 40 1HE LYS 40 8.001 -16.793 2.372 328 2HE LYS 40 2HE LYS 40 7.914 -15.052 2.190 329 1HZ LYS 40 1HZ LYS 40 5.696 -16.857 1.520 330 2HZ LYS 40 2HZ LYS 40 5.847 -16.099 2.958 331 3HZ LYS 40 3HZ LYS 40 5.645 -15.226 1.593 332 H ALA 41 H ALA 41 9.026 -11.226 0.519 333 HA ALA 41 HA ALA 41 9.624 -9.413 -1.518 334 1HB ALA 41 1HB ALA 41 11.684 -10.129 0.534 335 2HB ALA 41 2HB ALA 41 11.084 -8.532 0.026 336 3HB ALA 41 3HB ALA 41 10.109 -9.542 1.120 337 H GLU 42 H GLU 42 9.830 -10.762 -3.446 338 HA GLU 42 HA GLU 42 12.530 -11.400 -3.917 339 1HB GLU 42 1HB GLU 42 11.252 -13.491 -2.727 340 2HB GLU 42 2HB GLU 42 10.836 -13.821 -4.397 341 1HG GLU 42 1HG GLU 42 13.224 -13.781 -5.042 342 2HG GLU 42 2HG GLU 42 13.686 -13.322 -3.415 343 H THR 43 H THR 43 12.589 -10.221 -5.801 344 HA THR 43 HA THR 43 10.564 -9.648 -7.498 345 HB THR 43 HB THR 43 13.241 -9.134 -7.370 346 HG1 THR 43 1HG THR 43 12.292 -7.718 -8.777 347 1HG2 THR 43 1HG2 THR 43 12.860 -10.778 -9.921 348 2HG2 THR 43 2HG2 THR 43 14.344 -9.958 -9.379 349 3HG2 THR 43 3HG2 THR 43 13.747 -11.388 -8.503 350 H GLY 44 H GLY 44 9.358 -10.580 -9.066 351 1HA GLY 44 1HA GLY 44 8.686 -12.138 -10.571 352 2HA GLY 44 2HA GLY 44 10.191 -13.008 -10.353 353 H HIS 45 H HIS 45 8.075 -12.069 -7.623 354 HA HIS 45 HA HIS 45 7.797 -14.884 -7.004 355 1HB HIS 45 1HB HIS 45 8.560 -13.551 -5.196 356 2HB HIS 45 2HB HIS 45 7.331 -12.331 -5.462 357 HD1 HIS 45 1HD HIS 45 7.577 -15.990 -4.363 358 HD2 HIS 45 2HD HIS 45 5.061 -12.659 -3.952 359 HE1 HIS 45 1HE HIS 45 5.775 -16.658 -2.684 360 H HIS 46 H HIS 46 5.649 -15.758 -6.331 361 HA HIS 46 HA HIS 46 3.462 -14.339 -7.658 362 1HB HIS 46 1HB HIS 46 2.659 -16.348 -8.661 363 2HB HIS 46 2HB HIS 46 4.341 -16.152 -9.111 364 HD1 HIS 46 1HD HIS 46 2.010 -18.436 -7.315 365 HD2 HIS 46 2HD HIS 46 6.148 -18.017 -7.856 366 HE1 HIS 46 1HE HIS 46 3.057 -20.634 -6.551 367 H PHE 47 H PHE 47 1.630 -14.155 -6.429 368 HA PHE 47 HA PHE 47 1.086 -16.081 -4.378 369 1HB PHE 47 1HB PHE 47 1.134 -14.303 -2.579 370 2HB PHE 47 2HB PHE 47 2.725 -14.554 -3.268 371 HD1 PHE 47 1HD PHE 47 3.271 -12.967 -5.337 372 HD2 PHE 47 2HD PHE 47 0.390 -12.134 -2.336 373 HE1 PHE 47 1HE PHE 47 3.428 -10.519 -5.867 374 HE2 PHE 47 2HE PHE 47 0.546 -9.685 -2.866 375 HZ PHE 47 HZ PHE 47 2.063 -8.907 -4.625 376 H HIS 48 H HIS 48 -1.047 -15.656 -3.319 377 HA HIS 48 HA HIS 48 -2.741 -14.188 -5.188 378 1HB HIS 48 1HB HIS 48 -3.154 -16.546 -3.381 379 2HB HIS 48 2HB HIS 48 -4.532 -15.549 -3.800 380 HD1 HIS 48 1HD HIS 48 -2.463 -18.301 -5.055 381 HD2 HIS 48 2HD HIS 48 -4.977 -15.386 -6.724 382 HE1 HIS 48 1HE HIS 48 -3.018 -19.100 -7.414 383 H LEU 49 H LEU 49 -4.811 -13.235 -4.027 384 HA LEU 49 HA LEU 49 -4.012 -12.055 -1.471 385 1HB LEU 49 1HB LEU 49 -3.451 -10.547 -3.400 386 2HB LEU 49 2HB LEU 49 -5.163 -10.467 -3.766 387 HG LEU 49 HG LEU 49 -5.300 -9.723 -1.202 388 1HD1 LEU 49 1HD1 LEU 49 -3.436 -8.965 -0.229 389 2HD1 LEU 49 2HD1 LEU 49 -2.573 -9.932 -1.450 390 3HD1 LEU 49 3HD1 LEU 49 -2.851 -8.195 -1.724 391 1HD2 LEU 49 1HD2 LEU 49 -4.563 -7.932 -3.533 392 2HD2 LEU 49 2HD2 LEU 49 -6.196 -8.439 -3.036 393 3HD2 LEU 49 3HD2 LEU 49 -5.237 -7.370 -1.984 394 H GLN 50 H GLN 50 -5.799 -11.440 -0.113 395 HA GLN 50 HA GLN 50 -8.249 -12.771 -0.962 396 1HB GLN 50 1HB GLN 50 -7.239 -12.206 1.861 397 2HB GLN 50 2HB GLN 50 -8.735 -13.030 1.470 398 1HG GLN 50 1HG GLN 50 -6.409 -14.202 0.074 399 2HG GLN 50 2HG GLN 50 -6.229 -14.239 1.817 400 1HE2 GLN 50 1HE2 GLN 50 -8.277 -15.135 -0.893 401 2HE2 GLN 50 2HE2 GLN 50 -9.136 -16.429 -0.128 402 H SER 51 H SER 51 -8.935 -10.823 -2.138 403 HA SER 51 HA SER 51 -9.355 -8.492 -0.504 404 1HB SER 51 1HB SER 51 -9.238 -7.365 -2.465 405 2HB SER 51 2HB SER 51 -8.762 -8.882 -3.200 406 HG SER 51 HG SER 51 -10.860 -9.260 -3.895 407 HA PRO 52 HA PRO 52 -13.617 -9.181 0.046 408 1HB PRO 52 1HB PRO 52 -14.740 -6.697 -0.147 409 2HB PRO 52 2HB PRO 52 -13.897 -7.259 1.282 410 1HG PRO 52 1HG PRO 52 -12.980 -5.348 -0.779 411 2HG PRO 52 2HG PRO 52 -12.359 -5.597 0.840 412 1HD PRO 52 1HD PRO 52 -11.180 -6.511 -1.610 413 2HD PRO 52 2HD PRO 52 -10.622 -6.858 0.015 414 H PHE 53 H PHE 53 -12.629 -7.798 -2.910 415 HA PHE 53 HA PHE 53 -15.237 -8.425 -4.068 416 1HB PHE 53 1HB PHE 53 -12.821 -6.700 -4.677 417 2HB PHE 53 2HB PHE 53 -13.698 -7.314 -6.064 418 HD1 PHE 53 1HD PHE 53 -16.348 -6.982 -5.881 419 HD2 PHE 53 2HD PHE 53 -13.450 -4.649 -3.840 420 HE1 PHE 53 1HE PHE 53 -18.010 -5.115 -5.655 421 HE2 PHE 53 2HE PHE 53 -15.112 -2.781 -3.615 422 HZ PHE 53 HZ PHE 53 -17.372 -3.037 -4.525 423 H GLY 54 H GLY 54 -13.751 -10.681 -3.254 424 1HA GLY 54 1HA GLY 54 -13.432 -12.721 -4.253 425 2HA GLY 54 2HA GLY 54 -13.349 -11.961 -5.830 426 HA PRO 55 HA PRO 55 -9.100 -12.760 -4.051 427 1HB PRO 55 1HB PRO 55 -8.532 -15.304 -4.869 428 2HB PRO 55 2HB PRO 55 -9.078 -14.918 -3.249 429 1HG PRO 55 1HG PRO 55 -10.589 -16.159 -5.466 430 2HG PRO 55 2HG PRO 55 -10.960 -16.152 -3.754 431 1HD PRO 55 1HD PRO 55 -12.199 -14.549 -5.784 432 2HD PRO 55 2HD PRO 55 -12.487 -14.461 -4.058 433 H SER 56 H SER 56 -7.368 -12.000 -5.136 434 HA SER 56 HA SER 56 -7.483 -12.544 -7.994 435 1HB SER 56 1HB SER 56 -7.509 -9.924 -6.590 436 2HB SER 56 2HB SER 56 -6.329 -10.032 -7.881 437 HG SER 56 HG SER 56 -9.147 -10.015 -8.008 438 HA PRO 57 HA PRO 57 -3.286 -13.509 -7.335 439 1HB PRO 57 1HB PRO 57 -2.373 -13.549 -9.911 440 2HB PRO 57 2HB PRO 57 -3.239 -14.886 -9.180 441 1HG PRO 57 1HG PRO 57 -4.206 -12.908 -11.152 442 2HG PRO 57 2HG PRO 57 -4.888 -14.467 -10.737 443 1HD PRO 57 1HD PRO 57 -5.853 -11.897 -9.909 444 2HD PRO 57 2HD PRO 57 -6.464 -13.459 -9.401 445 H CYS 58 H CYS 58 -1.093 -12.759 -7.289 446 HA CYS 58 HA CYS 58 -0.843 -10.039 -8.277 447 1HB CYS 58 1HB CYS 58 -0.334 -10.788 -5.378 448 2HB CYS 58 2HB CYS 58 0.104 -9.261 -6.117 449 HG CYS 58 HG CYS 58 -1.936 -8.290 -5.359 450 H GLN 59 H GLN 59 1.495 -9.397 -8.390 451 HA GLN 59 HA GLN 59 3.362 -11.529 -7.921 452 1HB GLN 59 1HB GLN 59 2.723 -12.133 -10.155 453 2HB GLN 59 2HB GLN 59 2.721 -10.466 -10.694 454 1HG GLN 59 1HG GLN 59 5.046 -10.357 -10.858 455 2HG GLN 59 2HG GLN 59 5.304 -11.521 -9.574 456 1HE2 GLN 59 1HE2 GLN 59 5.174 -13.721 -9.975 457 2HE2 GLN 59 2HE2 GLN 59 5.252 -14.399 -11.567 458 H VAL 60 H VAL 60 5.360 -10.717 -7.308 459 HA VAL 60 HA VAL 60 5.539 -7.869 -7.035 460 HB VAL 60 HB VAL 60 7.520 -10.060 -6.381 461 1HG1 VAL 60 1HG1 VAL 60 7.366 -7.124 -5.687 462 2HG1 VAL 60 2HG1 VAL 60 8.246 -8.279 -4.657 463 3HG1 VAL 60 3HG1 VAL 60 8.731 -8.051 -6.355 464 1HG2 VAL 60 1HG2 VAL 60 5.110 -9.012 -4.944 465 2HG2 VAL 60 2HG2 VAL 60 5.763 -10.665 -5.030 466 3HG2 VAL 60 3HG2 VAL 60 6.545 -9.453 -3.987 467 H THR 61 H THR 61 6.568 -6.450 -8.364 468 HA THR 61 HA THR 61 7.901 -7.591 -10.700 469 HB THR 61 HB THR 61 7.509 -5.349 -11.648 470 HG1 THR 61 1HG THR 61 7.306 -3.705 -10.171 471 1HG2 THR 61 1HG2 THR 61 5.318 -6.872 -10.379 472 2HG2 THR 61 2HG2 THR 61 4.949 -5.134 -10.498 473 3HG2 THR 61 3HG2 THR 61 5.351 -6.061 -11.964 474 H ASP 62 H ASP 62 8.512 -5.601 -7.802 475 HA ASP 62 HA ASP 62 11.305 -6.064 -8.244 476 1HB ASP 62 1HB ASP 62 10.094 -3.547 -8.908 477 2HB ASP 62 2HB ASP 62 10.997 -3.292 -7.428 478 H VAL 63 H VAL 63 12.330 -6.313 -6.206 479 HA VAL 63 HA VAL 63 11.291 -5.032 -3.878 480 HB VAL 63 HB VAL 63 9.651 -6.767 -4.009 481 1HG1 VAL 63 1HG1 VAL 63 10.059 -9.052 -4.347 482 2HG1 VAL 63 2HG1 VAL 63 11.154 -8.247 -5.496 483 3HG1 VAL 63 3HG1 VAL 63 11.791 -8.897 -3.967 484 1HG2 VAL 63 1HG2 VAL 63 11.410 -8.037 -1.982 485 2HG2 VAL 63 2HG2 VAL 63 11.164 -6.282 -1.817 486 3HG2 VAL 63 3HG2 VAL 63 9.763 -7.379 -1.828 487 H GLU 64 H GLU 64 13.227 -4.296 -3.152 488 HA GLU 64 HA GLU 64 15.166 -6.265 -2.443 489 1HB GLU 64 1HB GLU 64 15.739 -5.731 -4.833 490 2HB GLU 64 2HB GLU 64 15.946 -4.049 -4.388 491 1HG GLU 64 1HG GLU 64 18.049 -4.446 -3.636 492 2HG GLU 64 2HG GLU 64 17.471 -5.688 -2.544 493 H ARG 65 H ARG 65 15.292 -5.695 -0.302 494 HA ARG 65 HA ARG 65 15.562 -4.518 1.490 495 1HB ARG 65 1HB ARG 65 17.400 -3.292 -0.470 496 2HB ARG 65 2HB ARG 65 16.953 -2.165 0.795 497 1HG ARG 65 1HG ARG 65 17.436 -4.363 2.334 498 2HG ARG 65 2HG ARG 65 18.504 -4.726 0.992 499 1HD ARG 65 1HD ARG 65 18.634 -1.906 1.977 500 2HD ARG 65 2HD ARG 65 19.192 -3.115 3.116 501 HE ARG 65 HE ARG 65 20.253 -3.423 0.383 502 1HH1 ARG 65 2HH2 ARG 65 20.758 -2.052 3.584 503 2HH1 ARG 65 1HH2 ARG 65 22.470 -1.885 3.383 504 1HH2 ARG 65 2HH1 ARG 65 22.512 -3.204 0.117 505 2HH2 ARG 65 1HH1 ARG 65 23.475 -2.545 1.397 506 HA PRO 66 HA PRO 66 12.689 -1.239 1.695 507 1HB PRO 66 1HB PRO 66 13.508 0.294 3.804 508 2HB PRO 66 2HB PRO 66 12.656 -1.225 3.997 509 1HG PRO 66 1HG PRO 66 15.524 -0.644 4.412 510 2HG PRO 66 2HG PRO 66 14.585 -2.004 4.993 511 1HD PRO 66 1HD PRO 66 16.432 -2.006 2.798 512 2HD PRO 66 2HD PRO 66 15.407 -3.333 3.306 513 H ILE 67 H ILE 67 13.661 -0.667 -0.514 514 HA ILE 67 HA ILE 67 14.221 2.186 -0.306 515 HB ILE 67 HB ILE 67 15.961 1.854 -2.134 516 1HG1 ILE 67 1HG1 ILE 67 17.148 -0.482 -1.633 517 2HG1 ILE 67 2HG1 ILE 67 15.502 -0.978 -1.295 518 1HG2 ILE 67 1HG2 ILE 67 17.372 0.738 0.084 519 2HG2 ILE 67 2HG2 ILE 67 17.319 2.425 -0.480 520 3HG2 ILE 67 3HG2 ILE 67 16.122 1.844 0.703 521 1HD1 ILE 67 1HD1 ILE 67 15.359 -1.309 -3.550 522 2HD1 ILE 67 2HD1 ILE 67 15.158 0.458 -3.636 523 3HD1 ILE 67 3HD1 ILE 67 16.765 -0.268 -3.882 524 H LYS 68 H LYS 68 13.499 -0.684 -2.381 525 HA LYS 68 HA LYS 68 11.500 0.946 -3.723 526 1HB LYS 68 1HB LYS 68 13.415 1.257 -5.150 527 2HB LYS 68 2HB LYS 68 13.773 -0.458 -5.150 528 1HG LYS 68 1HG LYS 68 12.378 -0.775 -6.906 529 2HG LYS 68 2HG LYS 68 11.029 -0.161 -5.970 530 1HD LYS 68 1HD LYS 68 11.931 2.216 -6.554 531 2HD LYS 68 2HD LYS 68 12.935 1.414 -7.746 532 1HE LYS 68 1HE LYS 68 10.835 0.361 -8.721 533 2HE LYS 68 2HE LYS 68 9.884 1.315 -7.599 534 1HZ LYS 68 1HZ LYS 68 11.355 2.173 -9.922 535 2HZ LYS 68 2HZ LYS 68 9.947 2.734 -9.313 536 3HZ LYS 68 3HZ LYS 68 11.366 3.200 -8.652 537 H LEU 69 H LEU 69 9.617 -0.146 -3.641 538 HA LEU 69 HA LEU 69 9.705 -3.031 -3.998 539 1HB LEU 69 1HB LEU 69 9.863 -2.635 -1.574 540 2HB LEU 69 2HB LEU 69 8.382 -1.701 -1.629 541 HG LEU 69 HG LEU 69 7.367 -3.907 -2.657 542 1HD1 LEU 69 1HD1 LEU 69 9.611 -5.013 -2.798 543 2HD1 LEU 69 2HD1 LEU 69 9.630 -5.072 -1.019 544 3HD1 LEU 69 3HD1 LEU 69 8.371 -5.945 -1.925 545 1HD2 LEU 69 1HD2 LEU 69 8.001 -3.541 0.284 546 2HD2 LEU 69 2HD2 LEU 69 6.594 -2.904 -0.601 547 3HD2 LEU 69 3HD2 LEU 69 6.781 -4.659 -0.371 548 H SER 70 H SER 70 7.921 -3.828 -5.104 549 HA SER 70 HA SER 70 5.635 -2.124 -5.370 550 1HB SER 70 1HB SER 70 7.361 -1.433 -7.166 551 2HB SER 70 2HB SER 70 7.082 -3.000 -7.899 552 HG SER 70 HG SER 70 5.411 -0.727 -7.804 553 H PHE 71 H PHE 71 3.801 -3.297 -6.448 554 HA PHE 71 HA PHE 71 4.203 -6.078 -7.031 555 1HB PHE 71 1HB PHE 71 2.897 -6.895 -5.159 556 2HB PHE 71 2HB PHE 71 3.996 -5.733 -4.442 557 HD1 PHE 71 1HD PHE 71 3.184 -3.611 -3.590 558 HD2 PHE 71 2HD PHE 71 0.519 -6.393 -5.370 559 HE1 PHE 71 1HE PHE 71 1.233 -2.356 -2.630 560 HE2 PHE 71 2HE PHE 71 -1.432 -5.138 -4.410 561 HZ PHE 71 HZ PHE 71 -1.051 -3.135 -3.052 562 H THR 72 H THR 72 2.580 -6.875 -8.376 563 HA THR 72 HA THR 72 0.637 -4.889 -9.245 564 HB THR 72 HB THR 72 0.346 -6.598 -11.109 565 HG1 THR 72 1HG THR 72 1.350 -8.554 -10.743 566 1HG2 THR 72 1HG2 THR 72 2.843 -5.169 -10.444 567 2HG2 THR 72 2HG2 THR 72 3.147 -6.639 -11.400 568 3HG2 THR 72 3HG2 THR 72 2.058 -5.378 -12.027 569 H TRP 73 H TRP 73 -1.629 -5.346 -9.482 570 HA TRP 73 HA TRP 73 -2.521 -7.364 -7.534 571 1HB TRP 73 1HB TRP 73 -2.790 -4.839 -7.011 572 2HB TRP 73 2HB TRP 73 -4.068 -4.878 -8.209 573 HD1 TRP 73 HD TRP 73 -5.018 -7.966 -7.188 574 HE1 TRP 73 1HE TRP 73 -6.545 -8.184 -5.046 575 HE3 TRP 73 3HE TRP 73 -3.885 -3.395 -5.271 576 HZ2 TRP 73 2HZ TRP 73 -7.094 -6.458 -2.841 577 HZ3 TRP 73 3HZ TRP 73 -4.959 -2.738 -3.120 578 HH2 TRP 73 HH TRP 73 -6.515 -4.186 -1.912 579 H ASP 74 H ASP 74 -3.839 -8.945 -8.370 580 HA ASP 74 HA ASP 74 -5.112 -10.048 -9.737 581 1HB ASP 74 1HB ASP 74 -6.376 -7.723 -9.733 582 2HB ASP 74 2HB ASP 74 -5.741 -7.561 -11.358 583 H THR 75 H THR 75 -5.569 -10.125 -12.466 584 HA THR 75 HA THR 75 -3.087 -10.805 -13.542 585 HB THR 75 HB THR 75 -4.577 -10.734 -15.719 586 HG1 THR 75 1HG THR 75 -6.363 -9.520 -15.184 587 1HG2 THR 75 1HG2 THR 75 -4.662 -12.925 -14.985 588 2HG2 THR 75 2HG2 THR 75 -4.846 -12.440 -13.282 589 3HG2 THR 75 3HG2 THR 75 -6.261 -12.455 -14.361 590 H ASP 76 H ASP 76 -5.072 -7.816 -13.922 591 HA ASP 76 HA ASP 76 -2.810 -6.253 -14.212 592 1HB ASP 76 1HB ASP 76 -2.755 -7.427 -16.462 593 2HB ASP 76 2HB ASP 76 -4.327 -6.739 -16.819 594 H GLY 77 H GLY 77 -3.696 -4.444 -13.201 595 1HA GLY 77 1HA GLY 77 -6.028 -3.171 -14.327 596 2HA GLY 77 2HA GLY 77 -6.301 -3.875 -12.746 597 H TRP 78 H TRP 78 -5.247 -3.016 -10.874 598 HA TRP 78 HA TRP 78 -4.037 -0.386 -11.368 599 1HB TRP 78 1HB TRP 78 -5.425 -1.426 -8.891 600 2HB TRP 78 2HB TRP 78 -4.746 0.176 -9.101 601 HD1 TRP 78 HD TRP 78 -6.064 0.254 -12.266 602 HE1 TRP 78 1HE TRP 78 -8.592 0.961 -12.541 603 HE3 TRP 78 3HE TRP 78 -7.394 -0.676 -7.447 604 HZ2 TRP 78 2HZ TRP 78 -10.814 1.049 -10.753 605 HZ3 TRP 78 3HZ TRP 78 -9.762 -0.253 -6.794 606 HH2 TRP 78 HH TRP 78 -11.447 0.580 -8.357 607 H SER 79 H SER 79 -2.061 0.131 -10.268 608 HA SER 79 HA SER 79 -0.842 -2.113 -8.881 609 1HB SER 79 1HB SER 79 1.141 -0.618 -10.411 610 2HB SER 79 2HB SER 79 0.839 -2.344 -10.380 611 HG SER 79 HG SER 79 -0.924 -1.994 -11.911 612 H VAL 80 H VAL 80 0.555 -1.497 -7.153 613 HA VAL 80 HA VAL 80 0.789 1.399 -6.733 614 HB VAL 80 HB VAL 80 -0.975 0.670 -5.324 615 1HG1 VAL 80 1HG1 VAL 80 -0.132 -1.199 -3.531 616 2HG1 VAL 80 2HG1 VAL 80 -1.066 -1.566 -5.001 617 3HG1 VAL 80 3HG1 VAL 80 0.705 -1.746 -5.003 618 1HG2 VAL 80 1HG2 VAL 80 0.050 0.958 -3.027 619 2HG2 VAL 80 2HG2 VAL 80 1.643 0.947 -3.821 620 3HG2 VAL 80 3HG2 VAL 80 0.461 2.219 -4.214 621 H THR 81 H THR 81 2.768 2.114 -5.896 622 HA THR 81 HA THR 81 4.797 -0.005 -5.603 623 HB THR 81 HB THR 81 5.162 2.841 -6.673 624 HG1 THR 81 1HG THR 81 4.941 1.777 -8.705 625 1HG2 THR 81 1HG2 THR 81 7.353 2.149 -6.240 626 2HG2 THR 81 2HG2 THR 81 6.921 0.423 -6.287 627 3HG2 THR 81 3HG2 THR 81 7.113 1.334 -7.804 628 H PHE 82 H PHE 82 6.155 0.035 -3.856 629 HA PHE 82 HA PHE 82 5.466 2.072 -1.866 630 1HB PHE 82 1HB PHE 82 6.566 -0.792 -1.817 631 2HB PHE 82 2HB PHE 82 6.631 0.217 -0.386 632 HD1 PHE 82 1HD PHE 82 4.847 -2.311 -1.834 633 HD2 PHE 82 2HD PHE 82 4.198 1.451 0.019 634 HE1 PHE 82 1HE PHE 82 2.510 -3.007 -1.238 635 HE2 PHE 82 2HE PHE 82 1.861 0.755 0.615 636 HZ PHE 82 HZ PHE 82 1.045 -1.466 -0.020 637 H HIS 83 H HIS 83 7.119 3.189 -0.730 638 HA HIS 83 HA HIS 83 9.839 2.668 -1.618 639 1HB HIS 83 1HB HIS 83 8.633 5.445 -1.650 640 2HB HIS 83 2HB HIS 83 10.263 4.997 -2.110 641 HD1 HIS 83 1HD HIS 83 10.586 3.788 -4.423 642 HD2 HIS 83 2HD HIS 83 6.646 4.966 -3.594 643 HE1 HIS 83 1HE HIS 83 9.310 3.614 -6.625 644 H LEU 84 H LEU 84 11.189 2.577 0.112 645 HA LEU 84 HA LEU 84 10.293 3.971 2.538 646 1HB LEU 84 1HB LEU 84 11.348 1.195 2.145 647 2HB LEU 84 2HB LEU 84 11.647 2.035 3.654 648 HG LEU 84 HG LEU 84 8.914 2.388 3.246 649 1HD1 LEU 84 1HD1 LEU 84 9.186 0.647 1.401 650 2HD1 LEU 84 2HD1 LEU 84 9.495 -0.525 2.705 651 3HD1 LEU 84 3HD1 LEU 84 7.940 0.338 2.634 652 1HD2 LEU 84 1HD2 LEU 84 8.717 1.386 5.282 653 2HD2 LEU 84 2HD2 LEU 84 9.844 0.070 4.877 654 3HD2 LEU 84 3HD2 LEU 84 10.471 1.686 5.281 655 H LYS 85 H LYS 85 12.106 4.597 4.015 656 HA LYS 85 HA LYS 85 14.762 4.516 3.199 657 1HB LYS 85 1HB LYS 85 15.101 6.838 2.437 658 2HB LYS 85 2HB LYS 85 14.141 5.892 1.317 659 1HG LYS 85 1HG LYS 85 12.066 6.866 2.597 660 2HG LYS 85 2HG LYS 85 13.194 8.039 3.250 661 1HD LYS 85 1HD LYS 85 13.496 7.718 0.332 662 2HD LYS 85 2HD LYS 85 11.872 8.205 0.774 663 1HE LYS 85 1HE LYS 85 12.615 10.211 1.823 664 2HE LYS 85 2HE LYS 85 14.256 9.624 2.005 665 1HZ LYS 85 1HZ LYS 85 12.989 10.785 -0.297 666 2HZ LYS 85 2HZ LYS 85 14.550 10.851 0.179 667 3HZ LYS 85 3HZ LYS 85 13.994 9.537 -0.616 668 H GLU 86 H GLU 86 15.702 4.526 5.162 669 HA GLU 86 HA GLU 86 14.353 5.490 7.397 670 1HB GLU 86 1HB GLU 86 16.375 3.746 7.041 671 2HB GLU 86 2HB GLU 86 17.341 5.148 7.456 672 1HG GLU 86 1HG GLU 86 15.023 4.862 9.249 673 2HG GLU 86 2HG GLU 86 16.026 3.425 9.259 674 H GLU 87 H GLU 87 14.489 7.427 8.555 675 HA GLU 87 HA GLU 87 16.072 9.479 7.224 676 1HB GLU 87 1HB GLU 87 13.348 9.433 7.859 677 2HB GLU 87 2HB GLU 87 14.033 10.415 9.139 678 1HG GLU 87 1HG GLU 87 15.173 11.097 6.508 679 2HG GLU 87 2HG GLU 87 13.429 11.267 6.525 680 H GLU 88 H GLU 88 16.052 11.441 9.266 681 HA GLU 88 HA GLU 88 18.248 10.905 10.661 682 1HB GLU 88 1HB GLU 88 15.882 12.689 11.190 683 2HB GLU 88 2HB GLU 88 17.089 12.540 12.452 684 1HG GLU 88 1HG GLU 88 18.598 12.868 10.083 685 2HG GLU 88 2HG GLU 88 17.248 13.969 9.890 686 H ASN 89 H ASN 89 15.082 10.953 12.437 687 HA ASN 89 HA ASN 89 16.017 8.562 13.814 688 1HB ASN 89 1HB ASN 89 15.961 10.956 15.062 689 2HB ASN 89 2HB ASN 89 14.257 10.579 15.230 690 1HD2 ASN 89 1HD2 ASN 89 17.270 10.264 16.567 691 2HD2 ASN 89 2HD2 ASN 89 17.003 8.957 17.672 692 H GLY 90 H GLY 90 14.463 8.130 11.646 693 1HA GLY 90 1HA GLY 90 12.115 6.953 12.605 694 2HA GLY 90 2HA GLY 90 11.686 8.508 11.921 695 H THR 91 H THR 91 10.622 6.330 10.674 696 HA THR 91 HA THR 91 12.353 5.903 8.331 697 HB THR 91 HB THR 91 10.016 4.258 9.439 698 HG1 THR 91 1HG THR 91 12.944 4.112 9.409 699 1HG2 THR 91 1HG2 THR 91 11.111 2.491 7.917 700 2HG2 THR 91 2HG2 THR 91 10.228 3.780 7.063 701 3HG2 THR 91 3HG2 THR 91 12.005 3.829 7.155 702 H ILE 92 H ILE 92 11.584 6.263 6.250 703 HA ILE 92 HA ILE 92 9.198 7.960 6.209 704 HB ILE 92 HB ILE 92 11.542 7.729 4.321 705 1HG1 ILE 92 1HG1 ILE 92 12.301 8.921 6.175 706 2HG1 ILE 92 2HG1 ILE 92 11.807 10.172 5.052 707 1HG2 ILE 92 1HG2 ILE 92 10.510 9.019 2.785 708 2HG2 ILE 92 2HG2 ILE 92 9.039 8.319 3.500 709 3HG2 ILE 92 3HG2 ILE 92 9.591 9.934 4.004 710 1HD1 ILE 92 1HD1 ILE 92 10.444 9.252 7.587 711 2HD1 ILE 92 2HD1 ILE 92 10.800 10.907 7.036 712 3HD1 ILE 92 3HD1 ILE 92 9.469 9.988 6.292 713 H PHE 93 H PHE 93 7.395 7.405 5.037 714 HA PHE 93 HA PHE 93 7.626 4.955 3.439 715 1HB PHE 93 1HB PHE 93 6.483 4.917 5.839 716 2HB PHE 93 2HB PHE 93 5.199 5.843 5.087 717 HD1 PHE 93 1HD PHE 93 6.719 2.571 5.430 718 HD2 PHE 93 2HD PHE 93 3.822 4.822 3.298 719 HE1 PHE 93 1HE PHE 93 5.651 0.443 4.635 720 HE2 PHE 93 2HE PHE 93 2.753 2.694 2.504 721 HZ PHE 93 HZ PHE 93 3.680 0.530 3.182 722 H THR 94 H THR 94 7.111 5.340 1.342 723 HA THR 94 HA THR 94 5.040 7.367 0.825 724 HB THR 94 HB THR 94 7.662 6.920 -0.699 725 HG1 THR 94 1HG THR 94 8.328 8.502 0.706 726 1HG2 THR 94 1HG2 THR 94 5.210 8.169 -1.511 727 2HG2 THR 94 2HG2 THR 94 6.335 9.481 -1.085 728 3HG2 THR 94 3HG2 THR 94 6.794 8.279 -2.316 729 H ILE 95 H ILE 95 3.328 6.594 -0.229 730 HA ILE 95 HA ILE 95 3.738 4.090 -1.706 731 HB ILE 95 HB ILE 95 2.271 3.494 -0.081 732 1HG1 ILE 95 1HG1 ILE 95 1.262 3.445 -2.501 733 2HG1 ILE 95 2HG1 ILE 95 0.283 3.010 -1.114 734 1HG2 ILE 95 1HG2 ILE 95 1.341 6.355 -0.115 735 2HG2 ILE 95 2HG2 ILE 95 0.373 5.082 0.665 736 3HG2 ILE 95 3HG2 ILE 95 2.033 5.404 1.221 737 1HD1 ILE 95 1HD1 ILE 95 0.295 5.919 -1.768 738 2HD1 ILE 95 2HD1 ILE 95 -0.465 4.865 -2.984 739 3HD1 ILE 95 3HD1 ILE 95 -1.060 4.862 -1.306 740 H VAL 96 H VAL 96 2.893 3.888 -3.816 741 HA VAL 96 HA VAL 96 1.747 6.332 -4.943 742 HB VAL 96 HB VAL 96 4.055 4.762 -6.109 743 1HG1 VAL 96 1HG1 VAL 96 3.221 7.371 -7.266 744 2HG1 VAL 96 2HG1 VAL 96 3.843 5.905 -8.061 745 3HG1 VAL 96 3HG1 VAL 96 2.137 5.990 -7.561 746 1HG2 VAL 96 1HG2 VAL 96 3.881 7.330 -4.575 747 2HG2 VAL 96 2HG2 VAL 96 5.121 6.053 -4.534 748 3HG2 VAL 96 3HG2 VAL 96 5.071 7.202 -5.892 749 H HIS 97 H HIS 97 -0.288 5.630 -5.416 750 HA HIS 97 HA HIS 97 -0.480 3.002 -6.691 751 1HB HIS 97 1HB HIS 97 -1.688 3.213 -4.568 752 2HB HIS 97 2HB HIS 97 -2.566 4.600 -5.180 753 HD1 HIS 97 1HD HIS 97 -4.922 3.730 -5.345 754 HD2 HIS 97 2HD HIS 97 -2.128 1.132 -7.087 755 HE1 HIS 97 1HE HIS 97 -6.272 1.887 -6.482 756 H SER 98 H SER 98 -0.665 3.072 -8.868 757 HA SER 98 HA SER 98 -2.284 5.232 -9.948 758 1HB SER 98 1HB SER 98 0.307 4.260 -11.226 759 2HB SER 98 2HB SER 98 -0.707 5.574 -11.786 760 HG SER 98 HG SER 98 0.437 6.859 -10.527 761 H GLY 99 H GLY 99 -3.031 4.697 -12.265 762 1HA GLY 99 1HA GLY 99 -2.998 2.711 -13.839 763 2HA GLY 99 2HA GLY 99 -3.528 1.792 -12.445 764 H TRP 100 H TRP 100 -4.404 5.105 -13.662 765 HA TRP 100 HA TRP 100 -7.176 4.147 -13.856 766 1HB TRP 100 1HB TRP 100 -6.503 6.933 -12.962 767 2HB TRP 100 2HB TRP 100 -8.018 6.063 -12.828 768 HD1 TRP 100 HD TRP 100 -4.566 6.284 -11.108 769 HE1 TRP 100 1HE TRP 100 -4.640 5.234 -8.688 770 HE3 TRP 100 3HE TRP 100 -9.274 4.401 -11.499 771 HZ2 TRP 100 2HZ TRP 100 -6.615 3.767 -7.242 772 HZ3 TRP 100 3HZ TRP 100 -10.200 3.174 -9.537 773 HH2 TRP 100 HH TRP 100 -8.951 2.844 -7.462 774 H LYS 101 H LYS 101 -8.480 5.686 -15.340 775 HA LYS 101 HA LYS 101 -6.732 6.414 -17.574 776 1HB LYS 101 1HB LYS 101 -9.718 5.933 -17.658 777 2HB LYS 101 2HB LYS 101 -8.608 6.040 -19.009 778 1HG LYS 101 1HG LYS 101 -7.441 3.983 -18.249 779 2HG LYS 101 2HG LYS 101 -8.479 3.891 -16.840 780 1HD LYS 101 1HD LYS 101 -10.129 2.871 -18.021 781 2HD LYS 101 2HD LYS 101 -10.109 4.120 -19.250 782 1HE LYS 101 1HE LYS 101 -8.732 2.914 -20.655 783 2HE LYS 101 2HE LYS 101 -7.774 2.266 -19.338 784 1HZ LYS 101 1HZ LYS 101 -9.328 0.724 -20.603 785 2HZ LYS 101 2HZ LYS 101 -9.293 0.603 -18.975 786 3HZ LYS 101 3HZ LYS 101 -10.529 1.378 -19.710 787 H GLN 102 H GLN 102 -8.728 8.064 -18.891 788 HA GLN 102 HA GLN 102 -8.071 10.482 -17.669 789 1HB GLN 102 1HB GLN 102 -9.512 11.491 -19.421 790 2HB GLN 102 2HB GLN 102 -8.428 10.287 -20.090 791 1HG GLN 102 1HG GLN 102 -10.416 8.606 -19.725 792 2HG GLN 102 2HG GLN 102 -11.410 10.040 -19.561 793 1HE2 GLN 102 1HE2 GLN 102 -12.440 10.502 -21.336 794 2HE2 GLN 102 2HE2 GLN 102 -11.851 10.385 -22.961 795 H GLY 103 H GLY 103 -9.510 12.110 -16.715 796 1HA GLY 103 1HA GLY 103 -11.392 10.937 -14.892 797 2HA GLY 103 2HA GLY 103 -10.937 12.624 -15.029 798 H ASP 104 H ASP 104 -12.528 10.160 -17.192 799 HA ASP 104 HA ASP 104 -14.779 11.966 -17.366 800 1HB ASP 104 1HB ASP 104 -12.862 11.807 -19.405 801 2HB ASP 104 2HB ASP 104 -14.102 10.696 -19.952 802 H THR 105 H THR 105 -13.330 8.892 -18.703 803 HA THR 105 HA THR 105 -15.833 7.567 -18.882 804 HB THR 105 HB THR 105 -13.722 7.130 -20.252 805 HG1 THR 105 1HG THR 105 -14.375 4.937 -20.294 806 1HG2 THR 105 1HG2 THR 105 -12.869 6.008 -17.549 807 2HG2 THR 105 2HG2 THR 105 -12.259 5.305 -19.066 808 3HG2 THR 105 3HG2 THR 105 -11.920 7.008 -18.675 809 H LYS 106 H LYS 106 -16.725 5.898 -17.621 810 HA LYS 106 HA LYS 106 -16.044 6.189 -14.821 811 1HB LYS 106 1HB LYS 106 -18.176 5.513 -14.370 812 2HB LYS 106 2HB LYS 106 -18.422 6.174 -15.974 813 1HG LYS 106 1HG LYS 106 -17.743 3.645 -16.687 814 2HG LYS 106 2HG LYS 106 -18.372 3.300 -15.087 815 1HD LYS 106 1HD LYS 106 -20.537 3.736 -15.702 816 2HD LYS 106 2HD LYS 106 -20.092 5.154 -16.631 817 1HE LYS 106 1HE LYS 106 -19.024 2.876 -18.022 818 2HE LYS 106 2HE LYS 106 -20.675 2.479 -17.586 819 1HZ LYS 106 1HZ LYS 106 -20.345 3.716 -19.713 820 2HZ LYS 106 2HZ LYS 106 -21.457 4.354 -18.701 821 3HZ LYS 106 3HZ LYS 106 -19.980 5.040 -18.829 822 H VAL 107 H VAL 107 -16.721 3.685 -13.792 823 HA VAL 107 HA VAL 107 -14.357 2.207 -14.576 824 HB VAL 107 HB VAL 107 -16.353 1.680 -12.367 825 1HG1 VAL 107 1HG1 VAL 107 -14.699 -0.142 -13.192 826 2HG1 VAL 107 2HG1 VAL 107 -13.453 0.853 -12.402 827 3HG1 VAL 107 3HG1 VAL 107 -14.803 0.194 -11.447 828 1HG2 VAL 107 1HG2 VAL 107 -13.915 2.755 -11.356 829 2HG2 VAL 107 2HG2 VAL 107 -14.494 3.842 -12.642 830 3HG2 VAL 107 3HG2 VAL 107 -15.554 3.446 -11.268 831 H GLU 108 H GLU 108 -14.343 0.217 -15.595 832 HA GLU 108 HA GLU 108 -16.906 -0.549 -16.694 833 1HB GLU 108 1HB GLU 108 -14.534 -0.227 -17.938 834 2HB GLU 108 2HB GLU 108 -14.348 -1.912 -17.494 835 1HG GLU 108 1HG GLU 108 -16.314 -2.570 -18.716 836 2HG GLU 108 2HG GLU 108 -16.881 -0.917 -18.856 837 H LYS 109 H LYS 109 -17.226 -1.217 -14.205 838 HA LYS 109 HA LYS 109 -17.406 -3.985 -14.165 839 1HB LYS 109 1HB LYS 109 -14.803 -3.400 -13.787 840 2HB LYS 109 2HB LYS 109 -15.354 -3.269 -12.129 841 1HG LYS 109 1HG LYS 109 -16.586 -5.616 -13.251 842 2HG LYS 109 2HG LYS 109 -14.890 -5.663 -13.687 843 1HD LYS 109 1HD LYS 109 -14.560 -4.962 -11.112 844 2HD LYS 109 2HD LYS 109 -16.147 -5.686 -10.944 845 1HE LYS 109 1HE LYS 109 -15.392 -7.832 -11.628 846 2HE LYS 109 2HE LYS 109 -13.981 -7.187 -12.442 847 1HZ LYS 109 1HZ LYS 109 -13.161 -6.526 -10.233 848 2HZ LYS 109 2HZ LYS 109 -14.419 -7.303 -9.541 849 3HZ LYS 109 3HZ LYS 109 -13.315 -8.143 -10.404 850 H ALA 110 H ALA 110 -16.557 -1.380 -11.770 851 HA ALA 110 HA ALA 110 -18.593 -2.217 -9.990 852 1HB ALA 110 1HB ALA 110 -16.321 -0.636 -9.881 853 2HB ALA 110 2HB ALA 110 -17.633 0.559 -9.750 854 3HB ALA 110 3HB ALA 110 -17.537 -0.787 -8.590 855 H GLY 111 H GLY 111 -18.253 0.987 -11.674 856 1HA GLY 111 1HA GLY 111 -20.285 1.297 -13.243 857 2HA GLY 111 2HA GLY 111 -21.188 1.143 -11.750 858 H ALA 112 H ALA 112 -18.831 2.421 -10.212 859 HA ALA 112 HA ALA 112 -19.793 5.096 -10.455 860 1HB ALA 112 1HB ALA 112 -18.288 5.514 -8.573 861 2HB ALA 112 2HB ALA 112 -19.180 3.998 -8.301 862 3HB ALA 112 3HB ALA 112 -17.484 3.948 -8.836 863 H GLU 113 H GLU 113 -17.832 6.863 -10.307 864 HA GLU 113 HA GLU 113 -16.567 6.565 -12.869 865 1HB GLU 113 1HB GLU 113 -16.700 8.914 -10.927 866 2HB GLU 113 2HB GLU 113 -15.938 8.983 -12.504 867 1HG GLU 113 1HG GLU 113 -18.458 7.885 -13.068 868 2HG GLU 113 2HG GLU 113 -18.808 9.048 -11.804 869 H SER 114 H SER 114 -14.322 6.473 -13.241 870 HA SER 114 HA SER 114 -12.794 5.220 -11.380 871 1HB SER 114 1HB SER 114 -12.463 5.688 -13.966 872 2HB SER 114 2HB SER 114 -11.524 7.062 -13.417 873 HG SER 114 HG SER 114 -10.146 5.239 -13.704 874 H ALA 115 H ALA 115 -13.572 8.637 -11.713 875 HA ALA 115 HA ALA 115 -11.340 9.603 -10.229 876 1HB ALA 115 1HB ALA 115 -12.199 11.270 -11.554 877 2HB ALA 115 2HB ALA 115 -13.870 10.673 -11.411 878 3HB ALA 115 3HB ALA 115 -13.140 11.601 -10.080 879 H VAL 116 H VAL 116 -14.855 9.035 -9.510 880 HA VAL 116 HA VAL 116 -14.767 9.799 -6.858 881 HB VAL 116 HB VAL 116 -16.451 7.714 -8.260 882 1HG1 VAL 116 1HG1 VAL 116 -17.627 9.110 -5.958 883 2HG1 VAL 116 2HG1 VAL 116 -17.654 7.383 -6.392 884 3HG1 VAL 116 3HG1 VAL 116 -16.252 8.063 -5.531 885 1HG2 VAL 116 1HG2 VAL 116 -17.247 10.550 -7.582 886 2HG2 VAL 116 2HG2 VAL 116 -16.426 10.142 -9.108 887 3HG2 VAL 116 3HG2 VAL 116 -18.007 9.417 -8.726 888 H VAL 117 H VAL 117 -14.087 6.603 -8.402 889 HA VAL 117 HA VAL 117 -13.688 5.245 -5.976 890 HB VAL 117 HB VAL 117 -12.738 4.740 -8.800 891 1HG1 VAL 117 1HG1 VAL 117 -12.636 2.297 -7.797 892 2HG1 VAL 117 2HG1 VAL 117 -11.252 3.407 -7.649 893 3HG1 VAL 117 3HG1 VAL 117 -12.356 3.171 -6.272 894 1HG2 VAL 117 1HG2 VAL 117 -15.208 4.771 -8.400 895 2HG2 VAL 117 2HG2 VAL 117 -14.585 3.198 -8.952 896 3HG2 VAL 117 3HG2 VAL 117 -14.993 3.442 -7.237 897 H HIS 118 H HIS 118 -11.471 6.971 -8.249 898 HA HIS 118 HA HIS 118 -9.103 6.293 -7.044 899 1HB HIS 118 1HB HIS 118 -8.789 7.359 -9.034 900 2HB HIS 118 2HB HIS 118 -10.079 8.513 -8.761 901 HD1 HIS 118 1HD HIS 118 -9.410 10.334 -6.678 902 HD2 HIS 118 2HD HIS 118 -6.325 8.505 -8.853 903 HE1 HIS 118 1HE HIS 118 -7.339 11.786 -6.339 904 H GLU 119 H GLU 119 -11.334 9.053 -6.312 905 HA GLU 119 HA GLU 119 -9.724 10.071 -4.281 906 1HB GLU 119 1HB GLU 119 -12.657 10.372 -4.997 907 2HB GLU 119 2HB GLU 119 -12.002 11.153 -3.572 908 1HG GLU 119 1HG GLU 119 -10.165 12.116 -5.140 909 2HG GLU 119 2HG GLU 119 -11.170 11.577 -6.471 910 H ARG 120 H ARG 120 -12.619 7.887 -4.241 911 HA ARG 120 HA ARG 120 -12.901 7.671 -1.561 912 1HB ARG 120 1HB ARG 120 -13.701 6.166 -3.933 913 2HB ARG 120 2HB ARG 120 -13.344 5.052 -2.628 914 1HG ARG 120 1HG ARG 120 -14.790 6.895 -1.233 915 2HG ARG 120 2HG ARG 120 -15.500 7.130 -2.818 916 1HD ARG 120 1HD ARG 120 -16.853 5.422 -1.902 917 2HD ARG 120 2HD ARG 120 -15.722 4.517 -2.889 918 HE ARG 120 HE ARG 120 -14.680 3.682 -0.935 919 1HH1 ARG 120 2HH2 ARG 120 -17.013 6.185 -0.114 920 2HH1 ARG 120 1HH2 ARG 120 -16.980 5.837 1.583 921 1HH2 ARG 120 2HH1 ARG 120 -14.636 3.223 1.303 922 2HH2 ARG 120 1HH1 ARG 120 -15.619 4.142 2.394 923 H MET 121 H MET 121 -11.116 5.303 -3.690 924 HA MET 121 HA MET 121 -10.032 3.846 -1.648 925 1HB MET 121 1HB MET 121 -9.634 4.243 -4.546 926 2HB MET 121 2HB MET 121 -8.115 3.871 -3.756 927 1HG MET 121 1HG MET 121 -10.373 2.165 -2.844 928 2HG MET 121 2HG MET 121 -10.010 1.992 -4.549 929 1HE MET 121 1HE MET 121 -7.816 0.705 -5.464 930 2HE MET 121 2HE MET 121 -7.521 -0.659 -4.359 931 3HE MET 121 3HE MET 121 -9.189 -0.172 -4.748 932 H ASP 122 H ASP 122 -8.792 6.816 -3.273 933 HA ASP 122 HA ASP 122 -6.277 6.850 -2.287 934 1HB ASP 122 1HB ASP 122 -7.078 8.524 -3.869 935 2HB ASP 122 2HB ASP 122 -8.261 9.123 -2.724 936 H ARG 123 H ARG 123 -9.369 8.010 -0.787 937 HA ARG 123 HA ARG 123 -8.287 9.172 1.436 938 1HB ARG 123 1HB ARG 123 -10.948 7.739 0.999 939 2HB ARG 123 2HB ARG 123 -10.587 8.591 2.487 940 1HG ARG 123 1HG ARG 123 -10.382 9.913 -0.256 941 2HG ARG 123 2HG ARG 123 -11.855 9.932 0.694 942 1HD ARG 123 1HD ARG 123 -10.366 10.891 2.627 943 2HD ARG 123 2HD ARG 123 -9.172 11.193 1.380 944 HE ARG 123 HE ARG 123 -10.455 13.004 0.668 945 1HH1 ARG 123 2HH2 ARG 123 -12.548 10.762 2.394 946 2HH1 ARG 123 1HH2 ARG 123 -13.940 11.788 2.299 947 1HH2 ARG 123 2HH1 ARG 123 -12.291 14.358 0.543 948 2HH2 ARG 123 1HH1 ARG 123 -13.793 13.847 1.239 949 H GLY 124 H GLY 124 -9.657 5.813 1.068 950 1HA GLY 124 1HA GLY 124 -8.950 4.915 3.632 951 2HA GLY 124 2HA GLY 124 -9.313 3.923 2.234 952 H TRP 125 H TRP 125 -7.134 5.192 0.566 953 HA TRP 125 HA TRP 125 -5.094 3.377 1.211 954 1HB TRP 125 1HB TRP 125 -5.658 5.381 -0.836 955 2HB TRP 125 2HB TRP 125 -3.955 5.294 -0.433 956 HD1 TRP 125 HD TRP 125 -6.310 3.722 -2.736 957 HE1 TRP 125 1HE TRP 125 -5.484 1.423 -3.735 958 HE3 TRP 125 3HE TRP 125 -2.574 2.999 0.636 959 HZ2 TRP 125 2HZ TRP 125 -3.408 -0.399 -3.018 960 HZ3 TRP 125 3HZ TRP 125 -1.194 0.934 0.416 961 HH2 TRP 125 HH TRP 125 -1.562 -0.733 -1.333 962 H HIS 126 H HIS 126 -5.541 6.937 1.700 963 HA HIS 126 HA HIS 126 -3.015 7.319 2.860 964 1HB HIS 126 1HB HIS 126 -4.575 9.041 1.817 965 2HB HIS 126 2HB HIS 126 -5.488 9.001 3.312 966 HD1 HIS 126 1HD HIS 126 -1.685 8.889 3.165 967 HD2 HIS 126 2HD HIS 126 -4.772 11.523 4.226 968 HE1 HIS 126 1HE HIS 126 -0.565 10.886 4.291 969 H ASP 127 H ASP 127 -6.333 7.009 4.313 970 HA ASP 127 HA ASP 127 -5.599 7.185 6.909 971 1HB ASP 127 1HB ASP 127 -7.657 5.190 5.871 972 2HB ASP 127 2HB ASP 127 -7.666 6.002 7.424 973 H LEU 128 H LEU 128 -5.599 4.340 4.675 974 HA LEU 128 HA LEU 128 -4.974 2.402 6.589 975 1HB LEU 128 1HB LEU 128 -5.881 1.759 4.504 976 2HB LEU 128 2HB LEU 128 -4.617 2.576 3.605 977 HG LEU 128 HG LEU 128 -2.983 0.912 4.661 978 1HD1 LEU 128 1HD1 LEU 128 -5.085 0.221 6.249 979 2HD1 LEU 128 2HD1 LEU 128 -5.155 -1.051 5.006 980 3HD1 LEU 128 3HD1 LEU 128 -3.661 -0.801 5.942 981 1HD2 LEU 128 1HD2 LEU 128 -3.254 0.527 2.430 982 2HD2 LEU 128 2HD2 LEU 128 -3.958 -0.976 3.074 983 3HD2 LEU 128 3HD2 LEU 128 -5.021 0.353 2.553 984 H VAL 129 H VAL 129 -2.929 4.528 4.512 985 HA VAL 129 HA VAL 129 -0.576 3.473 5.885 986 HB VAL 129 HB VAL 129 -0.714 3.586 3.385 987 1HG1 VAL 129 1HG1 VAL 129 -1.713 6.122 3.791 988 2HG1 VAL 129 2HG1 VAL 129 -0.032 6.444 3.298 989 3HG1 VAL 129 3HG1 VAL 129 -1.100 5.484 2.246 990 1HG2 VAL 129 1HG2 VAL 129 1.578 5.045 3.356 991 2HG2 VAL 129 2HG2 VAL 129 1.441 4.688 5.094 992 3HG2 VAL 129 3HG2 VAL 129 1.475 3.357 3.912 993 H ASN 130 H ASN 130 -2.418 4.985 7.455 994 HA ASN 130 HA ASN 130 -0.870 7.438 7.762 995 1HB ASN 130 1HB ASN 130 -3.680 7.120 7.383 996 2HB ASN 130 2HB ASN 130 -3.493 7.496 9.084 997 1HD2 ASN 130 1HD2 ASN 130 -1.753 8.455 6.125 998 2HD2 ASN 130 2HD2 ASN 130 -1.888 10.169 6.336 999 H GLU 131 H GLU 131 -3.289 5.424 9.619 1000 HA GLU 131 HA GLU 131 -1.357 5.404 11.807 1001 1HB GLU 131 1HB GLU 131 -3.332 5.309 13.353 1002 2HB GLU 131 2HB GLU 131 -3.246 6.798 12.433 1003 1HG GLU 131 1HG GLU 131 -5.345 6.407 11.675 1004 2HG GLU 131 2HG GLU 131 -4.739 5.011 10.804 1005 H ARG 132 H ARG 132 -3.772 3.644 9.856 1006 HA ARG 132 HA ARG 132 -3.911 1.347 11.322 1007 1HB ARG 132 1HB ARG 132 -3.940 1.647 8.276 1008 2HB ARG 132 2HB ARG 132 -4.543 0.251 9.147 1009 1HG ARG 132 1HG ARG 132 -5.640 2.874 10.062 1010 2HG ARG 132 2HG ARG 132 -6.087 2.416 8.430 1011 1HD ARG 132 1HD ARG 132 -7.770 1.271 9.514 1012 2HD ARG 132 2HD ARG 132 -6.541 0.032 9.665 1013 HE ARG 132 HE ARG 132 -6.393 0.474 11.966 1014 1HH1 ARG 132 2HH2 ARG 132 -8.130 3.090 10.378 1015 2HH1 ARG 132 1HH2 ARG 132 -8.611 3.843 11.862 1016 1HH2 ARG 132 2HH1 ARG 132 -7.028 1.467 13.925 1017 2HH2 ARG 132 1HH1 ARG 132 -7.980 2.913 13.893 1018 H LEU 133 H LEU 133 -1.447 2.497 8.982 1019 HA LEU 133 HA LEU 133 -0.043 -0.030 9.088 1020 1HB LEU 133 1HB LEU 133 -0.075 0.933 6.965 1021 2HB LEU 133 2HB LEU 133 0.275 2.539 7.572 1022 HG LEU 133 HG LEU 133 2.577 1.864 8.100 1023 1HD1 LEU 133 1HD1 LEU 133 3.228 -0.249 8.279 1024 2HD1 LEU 133 2HD1 LEU 133 1.547 -0.749 7.971 1025 3HD1 LEU 133 3HD1 LEU 133 2.696 -0.608 6.619 1026 1HD2 LEU 133 1HD2 LEU 133 2.175 2.867 5.949 1027 2HD2 LEU 133 2HD2 LEU 133 3.381 1.570 5.768 1028 3HD2 LEU 133 3HD2 LEU 133 1.697 1.298 5.257 1029 H ARG 134 H ARG 134 0.068 3.247 10.481 1030 HA ARG 134 HA ARG 134 2.661 3.132 11.407 1031 1HB ARG 134 1HB ARG 134 1.189 5.184 11.341 1032 2HB ARG 134 2HB ARG 134 0.259 4.540 12.680 1033 1HG ARG 134 1HG ARG 134 2.942 4.374 13.556 1034 2HG ARG 134 2HG ARG 134 2.860 5.907 12.711 1035 1HD ARG 134 1HD ARG 134 0.625 6.261 14.090 1036 2HD ARG 134 2HD ARG 134 1.261 4.998 15.125 1037 HE ARG 134 HE ARG 134 3.341 6.906 14.686 1038 1HH1 ARG 134 2HH2 ARG 134 0.233 6.657 16.317 1039 2HH1 ARG 134 1HH2 ARG 134 0.627 7.838 17.522 1040 1HH2 ARG 134 2HH1 ARG 134 3.862 8.463 16.275 1041 2HH2 ARG 134 1HH1 ARG 134 2.705 8.872 17.498 1042 H GLN 135 H GLN 135 -0.473 2.033 12.814 1043 HA GLN 135 HA GLN 135 0.437 1.478 15.346 1044 1HB GLN 135 1HB GLN 135 -1.926 0.988 13.760 1045 2HB GLN 135 2HB GLN 135 -1.524 -0.488 14.613 1046 1HG GLN 135 1HG GLN 135 -1.354 0.848 16.758 1047 2HG GLN 135 2HG GLN 135 -1.875 2.271 15.877 1048 1HE2 GLN 135 1HE2 GLN 135 -3.704 2.484 17.143 1049 2HE2 GLN 135 2HE2 GLN 135 -5.095 1.464 16.984 1050 H ILE 136 H ILE 136 0.872 -0.241 12.283 1051 HA ILE 136 HA ILE 136 1.446 -2.775 13.276 1052 HB ILE 136 HB ILE 136 2.548 -1.393 10.827 1053 1HG1 ILE 136 1HG1 ILE 136 0.160 -1.223 10.774 1054 2HG1 ILE 136 2HG1 ILE 136 0.644 -2.482 9.655 1055 1HG2 ILE 136 1HG2 ILE 136 2.368 -4.308 11.614 1056 2HG2 ILE 136 2HG2 ILE 136 2.652 -3.749 9.948 1057 3HG2 ILE 136 3HG2 ILE 136 3.823 -3.359 11.230 1058 1HD1 ILE 136 1HD1 ILE 136 -1.073 -3.583 10.771 1059 2HD1 ILE 136 2HD1 ILE 136 0.301 -4.058 11.799 1060 3HD1 ILE 136 3HD1 ILE 136 -0.769 -2.727 12.302 1061 H VAL 137 H VAL 137 3.276 0.248 13.283 1062 HA VAL 137 HA VAL 137 5.575 -1.240 14.349 1063 HB VAL 137 HB VAL 137 6.908 0.709 13.663 1064 1HG1 VAL 137 1HG1 VAL 137 6.259 0.369 11.055 1065 2HG1 VAL 137 2HG1 VAL 137 7.174 -0.821 12.011 1066 3HG1 VAL 137 3HG1 VAL 137 5.422 -1.029 11.770 1067 1HG2 VAL 137 1HG2 VAL 137 6.065 2.540 12.472 1068 2HG2 VAL 137 2HG2 VAL 137 4.539 1.710 12.083 1069 3HG2 VAL 137 3HG2 VAL 137 4.847 2.273 13.743 1070 H GLU 138 H GLU 138 2.938 0.878 15.032 1071 HA GLU 138 HA GLU 138 4.311 1.831 17.415 1072 1HB GLU 138 1HB GLU 138 2.152 2.932 15.669 1073 2HB GLU 138 2HB GLU 138 1.952 3.222 17.386 1074 1HG GLU 138 1HG GLU 138 4.717 3.694 16.386 1075 2HG GLU 138 2HG GLU 138 3.512 4.763 15.694 Start of MODEL 17 1 1H MET 1 H MET 1 -11.404 21.078 -14.318 2 HA MET 1 HA MET 1 -10.426 18.776 -13.841 3 1HB MET 1 1HB MET 1 -12.836 19.473 -13.472 4 2HB MET 1 2HB MET 1 -13.191 19.081 -15.143 5 1HG MET 1 1HG MET 1 -12.371 16.695 -14.654 6 2HG MET 1 2HG MET 1 -12.300 17.140 -12.960 7 1HE MET 1 1HE MET 1 -14.190 15.538 -15.550 8 2HE MET 1 2HE MET 1 -15.908 15.972 -15.381 9 3HE MET 1 3HE MET 1 -14.768 17.122 -16.120 10 H THR 2 H THR 2 -9.265 17.220 -14.882 11 HA THR 2 HA THR 2 -10.163 15.905 -17.168 12 HB THR 2 HB THR 2 -9.714 17.887 -18.470 13 HG1 THR 2 1HG THR 2 -7.853 17.035 -19.670 14 1HG2 THR 2 1HG2 THR 2 -7.526 18.244 -16.510 15 2HG2 THR 2 2HG2 THR 2 -6.975 18.436 -18.192 16 3HG2 THR 2 3HG2 THR 2 -8.297 19.452 -17.567 17 H ARG 3 H ARG 3 -9.278 13.931 -17.112 18 HA ARG 3 HA ARG 3 -7.971 12.297 -16.578 19 1HB ARG 3 1HB ARG 3 -5.840 14.471 -16.779 20 2HB ARG 3 2HB ARG 3 -5.415 12.805 -16.441 21 1HG ARG 3 1HG ARG 3 -5.707 12.188 -18.613 22 2HG ARG 3 2HG ARG 3 -7.278 12.959 -18.699 23 1HD ARG 3 1HD ARG 3 -6.348 15.072 -19.324 24 2HD ARG 3 2HD ARG 3 -4.747 14.641 -18.755 25 HE ARG 3 HE ARG 3 -4.324 13.646 -20.824 26 1HH1 ARG 3 2HH2 ARG 3 -7.806 13.889 -20.380 27 2HH1 ARG 3 1HH2 ARG 3 -8.178 13.321 -21.973 28 1HH2 ARG 3 2HH1 ARG 3 -4.814 12.896 -22.926 29 2HH2 ARG 3 1HH1 ARG 3 -6.465 12.752 -23.431 30 H LEU 4 H LEU 4 -6.473 11.364 -14.779 31 HA LEU 4 HA LEU 4 -6.773 12.963 -12.335 32 1HB LEU 4 1HB LEU 4 -7.099 9.970 -12.493 33 2HB LEU 4 2HB LEU 4 -7.379 11.010 -11.110 34 HG LEU 4 HG LEU 4 -8.995 11.482 -13.587 35 1HD1 LEU 4 1HD1 LEU 4 -10.473 9.726 -13.264 36 2HD1 LEU 4 2HD1 LEU 4 -8.889 8.956 -13.002 37 3HD1 LEU 4 3HD1 LEU 4 -9.901 9.407 -11.608 38 1HD2 LEU 4 1HD2 LEU 4 -10.669 11.651 -11.445 39 2HD2 LEU 4 2HD2 LEU 4 -9.118 12.129 -10.714 40 3HD2 LEU 4 3HD2 LEU 4 -9.745 13.012 -12.127 41 HA PRO 5 HA PRO 5 -2.527 12.204 -11.994 42 1HB PRO 5 1HB PRO 5 -2.117 13.094 -9.443 43 2HB PRO 5 2HB PRO 5 -2.208 14.164 -10.828 44 1HG PRO 5 1HG PRO 5 -4.227 13.684 -8.723 45 2HG PRO 5 2HG PRO 5 -4.111 15.022 -9.848 46 1HD PRO 5 1HD PRO 5 -5.918 12.801 -10.005 47 2HD PRO 5 2HD PRO 5 -5.722 14.078 -11.188 48 H ASP 6 H ASP 6 -1.024 11.492 -9.777 49 HA ASP 6 HA ASP 6 -1.976 8.763 -9.579 50 1HB ASP 6 1HB ASP 6 0.317 9.024 -10.386 51 2HB ASP 6 2HB ASP 6 0.724 10.078 -9.047 52 H ILE 7 H ILE 7 -2.443 7.837 -7.516 53 HA ILE 7 HA ILE 7 -2.893 9.693 -5.396 54 HB ILE 7 HB ILE 7 -3.226 6.701 -5.612 55 1HG1 ILE 7 1HG1 ILE 7 -5.248 8.957 -5.752 56 2HG1 ILE 7 2HG1 ILE 7 -4.657 8.032 -7.118 57 1HG2 ILE 7 1HG2 ILE 7 -3.020 8.161 -3.261 58 2HG2 ILE 7 2HG2 ILE 7 -4.774 8.030 -3.534 59 3HG2 ILE 7 3HG2 ILE 7 -3.773 6.560 -3.459 60 1HD1 ILE 7 1HD1 ILE 7 -6.701 7.318 -5.140 61 2HD1 ILE 7 2HD1 ILE 7 -6.357 6.582 -6.723 62 3HD1 ILE 7 3HD1 ILE 7 -5.454 6.056 -5.283 63 H LYS 8 H LYS 8 -0.415 10.265 -5.593 64 HA LYS 8 HA LYS 8 1.225 8.375 -4.128 65 1HB LYS 8 1HB LYS 8 2.260 9.352 -6.041 66 2HB LYS 8 2HB LYS 8 1.791 10.973 -5.569 67 1HG LYS 8 1HG LYS 8 3.219 10.735 -3.490 68 2HG LYS 8 2HG LYS 8 3.748 9.168 -4.070 69 1HD LYS 8 1HD LYS 8 4.763 10.174 -6.064 70 2HD LYS 8 2HD LYS 8 4.082 11.742 -5.678 71 1HE LYS 8 1HE LYS 8 5.505 12.011 -3.753 72 2HE LYS 8 2HE LYS 8 5.946 10.315 -3.739 73 1HZ LYS 8 1HZ LYS 8 7.705 11.485 -4.710 74 2HZ LYS 8 2HZ LYS 8 6.963 10.732 -5.955 75 3HZ LYS 8 3HZ LYS 8 6.736 12.331 -5.716 76 H LYS 9 H LYS 9 1.500 8.434 -1.962 77 HA LYS 9 HA LYS 9 1.079 10.999 -0.628 78 1HB LYS 9 1HB LYS 9 -0.276 8.391 0.116 79 2HB LYS 9 2HB LYS 9 -0.202 9.793 1.165 80 1HG LYS 9 1HG LYS 9 -1.139 10.351 -1.616 81 2HG LYS 9 2HG LYS 9 -2.206 9.333 -0.668 82 1HD LYS 9 1HD LYS 9 -1.735 11.212 1.210 83 2HD LYS 9 2HD LYS 9 -1.398 12.199 -0.198 84 1HE LYS 9 1HE LYS 9 -3.631 11.646 -1.148 85 2HE LYS 9 2HE LYS 9 -3.969 10.597 0.214 86 1HZ LYS 9 1HZ LYS 9 -3.241 12.951 1.339 87 2HZ LYS 9 2HZ LYS 9 -4.141 13.411 0.056 88 3HZ LYS 9 3HZ LYS 9 -4.769 12.399 1.173 89 H GLU 10 H GLU 10 2.124 11.098 1.515 90 HA GLU 10 HA GLU 10 4.060 8.980 1.920 91 1HB GLU 10 1HB GLU 10 5.213 10.718 0.579 92 2HB GLU 10 2HB GLU 10 4.771 11.942 1.752 93 1HG GLU 10 1HG GLU 10 6.215 9.515 2.791 94 2HG GLU 10 2HG GLU 10 7.148 10.645 1.829 95 H VAL 11 H VAL 11 4.617 8.645 4.119 96 HA VAL 11 HA VAL 11 3.490 10.538 6.035 97 HB VAL 11 HB VAL 11 2.831 8.303 7.290 98 1HG1 VAL 11 1HG1 VAL 11 0.525 8.590 6.451 99 2HG1 VAL 11 2HG1 VAL 11 1.306 10.148 6.810 100 3HG1 VAL 11 3HG1 VAL 11 1.144 9.602 5.124 101 1HG2 VAL 11 1HG2 VAL 11 3.665 7.166 4.961 102 2HG2 VAL 11 2HG2 VAL 11 2.467 6.441 6.060 103 3HG2 VAL 11 3HG2 VAL 11 1.926 7.360 4.634 104 H ARG 12 H ARG 12 4.393 10.157 8.268 105 HA ARG 12 HA ARG 12 6.985 8.852 8.053 106 1HB ARG 12 1HB ARG 12 7.260 11.328 8.011 107 2HB ARG 12 2HB ARG 12 6.328 11.475 9.488 108 1HG ARG 12 1HG ARG 12 8.145 9.784 10.460 109 2HG ARG 12 2HG ARG 12 9.111 10.344 9.109 110 1HD ARG 12 1HD ARG 12 9.554 12.325 10.140 111 2HD ARG 12 2HD ARG 12 7.854 12.620 10.447 112 HE ARG 12 HE ARG 12 8.994 10.593 12.225 113 1HH1 ARG 12 2HH2 ARG 12 8.514 14.045 11.738 114 2HH1 ARG 12 1HH2 ARG 12 8.655 14.431 13.421 115 1HH2 ARG 12 2HH1 ARG 12 9.180 11.102 14.444 116 2HH2 ARG 12 1HH1 ARG 12 9.037 12.746 14.970 117 H PHE 13 H PHE 13 7.238 7.251 9.586 118 HA PHE 13 HA PHE 13 5.553 7.460 11.983 119 1HB PHE 13 1HB PHE 13 6.637 5.045 10.410 120 2HB PHE 13 2HB PHE 13 5.691 4.907 11.879 121 HD1 PHE 13 1HD PHE 13 3.657 7.064 11.309 122 HD2 PHE 13 2HD PHE 13 5.231 3.971 8.867 123 HE1 PHE 13 1HE PHE 13 1.547 7.063 9.951 124 HE2 PHE 13 2HE PHE 13 3.120 3.970 7.508 125 HZ PHE 13 HZ PHE 13 1.303 5.516 8.067 126 H ASN 14 H ASN 14 6.467 6.730 13.999 127 HA ASN 14 HA ASN 14 9.329 7.045 13.996 128 1HB ASN 14 1HB ASN 14 7.171 7.677 15.802 129 2HB ASN 14 2HB ASN 14 8.213 6.541 16.636 130 1HD2 ASN 14 1HD2 ASN 14 8.373 8.606 17.938 131 2HD2 ASN 14 2HD2 ASN 14 9.684 9.678 17.577 132 H ALA 15 H ALA 15 10.315 5.050 13.472 133 HA ALA 15 HA ALA 15 10.371 3.006 15.339 134 1HB ALA 15 1HB ALA 15 9.200 1.310 13.612 135 2HB ALA 15 2HB ALA 15 8.290 2.132 14.902 136 3HB ALA 15 3HB ALA 15 8.250 2.768 13.241 137 HA PRO 16 HA PRO 16 13.685 1.980 12.756 138 1HB PRO 16 1HB PRO 16 14.112 -0.672 13.257 139 2HB PRO 16 2HB PRO 16 14.637 0.604 14.338 140 1HG PRO 16 1HG PRO 16 12.360 -1.258 14.637 141 2HG PRO 16 2HG PRO 16 13.151 -0.285 15.861 142 1HD PRO 16 1HD PRO 16 10.624 0.248 14.612 143 2HD PRO 16 2HD PRO 16 11.469 1.278 15.750 144 H ILE 17 H ILE 17 13.895 1.960 10.615 145 HA ILE 17 HA ILE 17 11.897 1.077 8.988 146 HB ILE 17 HB ILE 17 13.754 2.566 8.371 147 1HG1 ILE 17 1HG1 ILE 17 13.607 0.234 6.452 148 2HG1 ILE 17 2HG1 ILE 17 12.254 1.316 6.718 149 1HG2 ILE 17 1HG2 ILE 17 15.906 1.634 7.662 150 2HG2 ILE 17 2HG2 ILE 17 15.603 1.345 9.392 151 3HG2 ILE 17 3HG2 ILE 17 15.395 0.023 8.219 152 1HD1 ILE 17 1HD1 ILE 17 14.960 1.928 5.511 153 2HD1 ILE 17 2HD1 ILE 17 13.339 2.330 4.897 154 3HD1 ILE 17 3HD1 ILE 17 14.019 3.232 6.272 155 H GLU 18 H GLU 18 14.445 -0.781 10.605 156 HA GLU 18 HA GLU 18 14.414 -3.015 9.011 157 1HB GLU 18 1HB GLU 18 15.685 -2.237 11.339 158 2HB GLU 18 2HB GLU 18 14.648 -3.521 11.930 159 1HG GLU 18 1HG GLU 18 15.701 -4.552 9.524 160 2HG GLU 18 2HG GLU 18 17.051 -3.696 10.241 161 H LYS 19 H LYS 19 12.082 -1.828 11.404 162 HA LYS 19 HA LYS 19 10.693 -4.367 11.466 163 1HB LYS 19 1HB LYS 19 11.061 -2.622 13.409 164 2HB LYS 19 2HB LYS 19 9.657 -1.839 12.711 165 1HG LYS 19 1HG LYS 19 8.756 -4.418 12.737 166 2HG LYS 19 2HG LYS 19 9.865 -4.494 14.091 167 1HD LYS 19 1HD LYS 19 8.718 -2.723 15.266 168 2HD LYS 19 2HD LYS 19 7.808 -2.262 13.841 169 1HE LYS 19 1HE LYS 19 6.164 -3.542 14.827 170 2HE LYS 19 2HE LYS 19 7.000 -4.851 14.016 171 1HZ LYS 19 1HZ LYS 19 6.576 -5.106 16.458 172 2HZ LYS 19 2HZ LYS 19 8.104 -5.410 15.967 173 3HZ LYS 19 3HZ LYS 19 7.751 -4.002 16.715 174 H VAL 20 H VAL 20 10.023 -0.942 10.456 175 HA VAL 20 HA VAL 20 7.556 -1.420 9.326 176 HB VAL 20 HB VAL 20 9.710 0.545 8.521 177 1HG1 VAL 20 1HG1 VAL 20 8.037 1.844 7.447 178 2HG1 VAL 20 2HG1 VAL 20 7.818 0.179 6.859 179 3HG1 VAL 20 3HG1 VAL 20 6.725 0.834 8.101 180 1HG2 VAL 20 1HG2 VAL 20 7.395 1.396 10.171 181 2HG2 VAL 20 2HG2 VAL 20 8.583 0.343 10.976 182 3HG2 VAL 20 3HG2 VAL 20 9.105 1.882 10.249 183 H TRP 21 H TRP 21 10.866 -1.793 7.950 184 HA TRP 21 HA TRP 21 10.106 -2.292 5.328 185 1HB TRP 21 1HB TRP 21 12.378 -1.815 5.901 186 2HB TRP 21 2HB TRP 21 12.479 -3.216 6.949 187 HD1 TRP 21 HD TRP 21 13.944 -5.022 5.775 188 HE1 TRP 21 1HE TRP 21 14.316 -6.016 3.360 189 HE3 TRP 21 3HE TRP 21 10.653 -1.937 3.428 190 HZ2 TRP 21 2HZ TRP 21 13.216 -5.415 0.796 191 HZ3 TRP 21 3HZ TRP 21 10.361 -2.207 0.967 192 HH2 TRP 21 HH TRP 21 11.578 -3.872 -0.344 193 H GLU 22 H GLU 22 10.789 -4.593 8.066 194 HA GLU 22 HA GLU 22 10.089 -6.857 6.662 195 1HB GLU 22 1HB GLU 22 10.867 -6.165 9.331 196 2HB GLU 22 2HB GLU 22 9.431 -7.160 9.465 197 1HG GLU 22 1HG GLU 22 10.546 -8.807 7.840 198 2HG GLU 22 2HG GLU 22 12.012 -7.860 7.997 199 H ALA 23 H ALA 23 8.129 -4.331 8.127 200 HA ALA 23 HA ALA 23 5.763 -5.918 8.348 201 1HB ALA 23 1HB ALA 23 6.683 -3.473 9.326 202 2HB ALA 23 2HB ALA 23 5.410 -3.012 8.170 203 3HB ALA 23 3HB ALA 23 5.037 -4.125 9.509 204 H VAL 24 H VAL 24 7.537 -4.532 5.755 205 HA VAL 24 HA VAL 24 5.132 -4.672 4.071 206 HB VAL 24 HB VAL 24 6.107 -2.920 2.686 207 1HG1 VAL 24 1HG1 VAL 24 6.120 -1.827 5.495 208 2HG1 VAL 24 2HG1 VAL 24 5.444 -1.119 4.008 209 3HG1 VAL 24 3HG1 VAL 24 4.630 -2.497 4.788 210 1HG2 VAL 24 1HG2 VAL 24 8.512 -3.519 3.493 211 2HG2 VAL 24 2HG2 VAL 24 8.119 -1.826 3.106 212 3HG2 VAL 24 3HG2 VAL 24 8.177 -2.361 4.803 213 H SER 25 H SER 25 7.465 -6.561 4.994 214 HA SER 25 HA SER 25 8.136 -7.332 2.265 215 1HB SER 25 1HB SER 25 10.347 -7.242 2.711 216 2HB SER 25 2HB SER 25 9.961 -6.462 4.232 217 HG SER 25 HG SER 25 10.563 -8.227 5.274 218 H THR 26 H THR 26 6.175 -8.044 4.709 219 HA THR 26 HA THR 26 6.526 -10.939 4.366 220 HB THR 26 HB THR 26 5.914 -11.155 6.816 221 HG1 THR 26 1HG THR 26 5.021 -8.812 6.607 222 1HG2 THR 26 1HG2 THR 26 8.402 -9.672 5.930 223 2HG2 THR 26 2HG2 THR 26 8.070 -9.813 7.673 224 3HG2 THR 26 3HG2 THR 26 8.265 -11.279 6.682 225 H SER 27 H SER 27 4.484 -12.160 4.951 226 HA SER 27 HA SER 27 2.374 -10.853 3.570 227 1HB SER 27 1HB SER 27 2.713 -13.606 4.811 228 2HB SER 27 2HB SER 27 1.179 -13.098 4.132 229 HG SER 27 HG SER 27 3.676 -13.575 2.814 230 H GLU 28 H GLU 28 2.912 -12.199 6.900 231 HA GLU 28 HA GLU 28 0.410 -11.454 7.853 232 1HB GLU 28 1HB GLU 28 2.814 -12.686 8.864 233 2HB GLU 28 2HB GLU 28 2.327 -11.442 9.998 234 1HG GLU 28 1HG GLU 28 -0.067 -12.436 9.819 235 2HG GLU 28 2HG GLU 28 0.674 -13.801 9.007 236 H GLY 29 H GLY 29 3.465 -9.700 7.425 237 1HA GLY 29 1HA GLY 29 2.841 -7.534 9.179 238 2HA GLY 29 2HA GLY 29 4.103 -7.600 7.965 239 H LEU 30 H LEU 30 2.517 -8.178 5.632 240 HA LEU 30 HA LEU 30 1.590 -5.545 5.087 241 1HB LEU 30 1HB LEU 30 2.208 -7.997 3.628 242 2HB LEU 30 2HB LEU 30 0.800 -7.170 2.991 243 HG LEU 30 HG LEU 30 2.912 -5.259 3.475 244 1HD1 LEU 30 1HD1 LEU 30 4.119 -6.520 1.319 245 2HD1 LEU 30 2HD1 LEU 30 4.739 -6.434 2.985 246 3HD1 LEU 30 3HD1 LEU 30 3.790 -7.846 2.460 247 1HD2 LEU 30 1HD2 LEU 30 2.356 -4.483 1.367 248 2HD2 LEU 30 2HD2 LEU 30 1.922 -6.102 0.766 249 3HD2 LEU 30 3HD2 LEU 30 0.844 -5.255 1.901 250 H ALA 31 H ALA 31 -0.020 -8.803 5.193 251 HA ALA 31 HA ALA 31 -2.591 -7.899 4.794 252 1HB ALA 31 1HB ALA 31 -1.678 -10.282 4.835 253 2HB ALA 31 2HB ALA 31 -1.789 -10.199 6.610 254 3HB ALA 31 3HB ALA 31 -3.259 -10.045 5.618 255 H PHE 32 H PHE 32 -0.446 -7.412 7.493 256 HA PHE 32 HA PHE 32 -2.305 -7.235 9.559 257 1HB PHE 32 1HB PHE 32 0.454 -6.952 9.112 258 2HB PHE 32 2HB PHE 32 -0.011 -5.303 9.483 259 HD1 PHE 32 1HD PHE 32 -1.991 -5.525 11.553 260 HD2 PHE 32 2HD PHE 32 1.491 -7.874 10.950 261 HE1 PHE 32 1HE PHE 32 -1.926 -6.057 14.005 262 HE2 PHE 32 2HE PHE 32 1.556 -8.407 13.402 263 HZ PHE 32 HZ PHE 32 -0.153 -7.492 14.900 264 H TRP 33 H TRP 33 -1.621 -5.120 6.835 265 HA TRP 33 HA TRP 33 -3.540 -3.206 7.951 266 1HB TRP 33 1HB TRP 33 -2.203 -1.360 6.989 267 2HB TRP 33 2HB TRP 33 -1.452 -2.159 8.356 268 HD1 TRP 33 HD TRP 33 0.712 -3.808 7.737 269 HE1 TRP 33 1HE TRP 33 2.508 -3.751 5.805 270 HE3 TRP 33 3HE TRP 33 -1.950 -0.782 4.637 271 HZ2 TRP 33 2HZ TRP 33 2.612 -2.476 3.254 272 HZ3 TRP 33 3HZ TRP 33 -0.929 -0.179 2.444 273 HH2 TRP 33 HH TRP 33 1.271 -0.975 1.736 274 H PHE 34 H PHE 34 -1.645 -4.358 5.075 275 HA PHE 34 HA PHE 34 -3.442 -3.290 3.197 276 1HB PHE 34 1HB PHE 34 -1.143 -3.876 2.598 277 2HB PHE 34 2HB PHE 34 -1.305 -5.484 3.277 278 HD1 PHE 34 1HD PHE 34 -0.776 -6.843 1.446 279 HD2 PHE 34 2HD PHE 34 -3.668 -3.773 0.978 280 HE1 PHE 34 1HE PHE 34 -1.362 -7.742 -0.823 281 HE2 PHE 34 2HE PHE 34 -4.254 -4.672 -1.292 282 HZ PHE 34 HZ PHE 34 -3.094 -6.645 -2.165 283 H MET 35 H MET 35 -2.734 -6.797 3.201 284 HA MET 35 HA MET 35 -5.229 -7.620 4.097 285 1HB MET 35 1HB MET 35 -4.961 -6.914 1.194 286 2HB MET 35 2HB MET 35 -5.681 -8.483 1.494 287 1HG MET 35 1HG MET 35 -7.650 -7.514 2.079 288 2HG MET 35 2HG MET 35 -6.860 -6.585 3.337 289 1HE MET 35 1HE MET 35 -7.843 -6.670 -0.498 290 2HE MET 35 2HE MET 35 -6.957 -5.238 -1.075 291 3HE MET 35 3HE MET 35 -6.064 -6.645 -0.449 292 H GLU 36 H GLU 36 -5.605 -10.037 3.548 293 HA GLU 36 HA GLU 36 -3.337 -11.428 4.147 294 1HB GLU 36 1HB GLU 36 -5.971 -12.281 2.896 295 2HB GLU 36 2HB GLU 36 -4.725 -13.450 3.286 296 1HG GLU 36 1HG GLU 36 -4.926 -11.846 5.607 297 2HG GLU 36 2HG GLU 36 -6.584 -12.049 5.078 298 H ASN 37 H ASN 37 -1.694 -12.432 2.984 299 HA ASN 37 HA ASN 37 -2.010 -12.801 0.178 300 1HB ASN 37 1HB ASN 37 0.014 -11.435 -0.427 301 2HB ASN 37 2HB ASN 37 -1.289 -10.437 0.188 302 1HD2 ASN 37 1HD2 ASN 37 -1.278 -10.036 2.570 303 2HD2 ASN 37 2HD2 ASN 37 0.239 -9.710 3.339 304 H ASP 38 H ASP 38 0.518 -13.442 -0.620 305 HA ASP 38 HA ASP 38 1.601 -15.060 1.548 306 1HB ASP 38 1HB ASP 38 0.236 -16.166 -0.505 307 2HB ASP 38 2HB ASP 38 1.785 -16.005 -1.310 308 H LEU 39 H LEU 39 2.340 -12.356 0.478 309 HA LEU 39 HA LEU 39 4.551 -12.671 -1.277 310 1HB LEU 39 1HB LEU 39 3.317 -10.646 -1.317 311 2HB LEU 39 2HB LEU 39 3.509 -10.402 0.408 312 HG LEU 39 HG LEU 39 6.059 -10.558 -1.059 313 1HD1 LEU 39 1HD1 LEU 39 5.344 -7.931 -1.598 314 2HD1 LEU 39 2HD1 LEU 39 5.518 -9.252 -2.779 315 3HD1 LEU 39 3HD1 LEU 39 3.919 -8.874 -2.095 316 1HD2 LEU 39 1HD2 LEU 39 6.469 -8.472 0.293 317 2HD2 LEU 39 2HD2 LEU 39 4.845 -8.688 0.986 318 3HD2 LEU 39 3HD2 LEU 39 6.091 -9.934 1.235 319 H LYS 40 H LYS 40 6.818 -12.332 -0.769 320 HA LYS 40 HA LYS 40 7.536 -12.501 2.030 321 1HB LYS 40 1HB LYS 40 7.312 -14.856 0.468 322 2HB LYS 40 2HB LYS 40 9.026 -14.537 0.634 323 1HG LYS 40 1HG LYS 40 8.776 -14.344 3.101 324 2HG LYS 40 2HG LYS 40 7.046 -14.587 2.961 325 1HD LYS 40 1HD LYS 40 7.656 -16.776 3.395 326 2HD LYS 40 2HD LYS 40 7.818 -16.809 1.650 327 1HE LYS 40 1HE LYS 40 10.218 -16.492 1.769 328 2HE LYS 40 2HE LYS 40 10.151 -16.069 3.468 329 1HZ LYS 40 1HZ LYS 40 9.600 -18.699 2.289 330 2HZ LYS 40 2HZ LYS 40 10.822 -18.300 3.296 331 3HZ LYS 40 3HZ LYS 40 9.287 -18.340 3.851 332 H ALA 41 H ALA 41 7.727 -10.418 0.048 333 HA ALA 41 HA ALA 41 9.188 -9.106 -1.005 334 1HB ALA 41 1HB ALA 41 10.039 -8.265 0.923 335 2HB ALA 41 2HB ALA 41 10.306 -9.881 1.622 336 3HB ALA 41 3HB ALA 41 11.495 -9.193 0.490 337 H GLU 42 H GLU 42 9.093 -10.925 -2.744 338 HA GLU 42 HA GLU 42 11.834 -11.472 -3.402 339 1HB GLU 42 1HB GLU 42 10.372 -13.497 -2.175 340 2HB GLU 42 2HB GLU 42 10.142 -13.854 -3.875 341 1HG GLU 42 1HG GLU 42 12.502 -14.043 -4.276 342 2HG GLU 42 2HG GLU 42 12.909 -13.246 -2.769 343 H THR 43 H THR 43 12.141 -10.998 -5.543 344 HA THR 43 HA THR 43 9.900 -10.241 -7.126 345 HB THR 43 HB THR 43 12.380 -9.349 -7.050 346 HG1 THR 43 1HG THR 43 10.924 -8.548 -8.617 347 1HG2 THR 43 1HG2 THR 43 12.555 -11.707 -8.996 348 2HG2 THR 43 2HG2 THR 43 13.694 -10.339 -8.995 349 3HG2 THR 43 3HG2 THR 43 13.596 -11.418 -7.582 350 H GLY 44 H GLY 44 9.210 -11.124 -9.158 351 1HA GLY 44 1HA GLY 44 8.590 -12.800 -10.520 352 2HA GLY 44 2HA GLY 44 10.102 -13.601 -10.142 353 H HIS 45 H HIS 45 8.164 -12.780 -7.360 354 HA HIS 45 HA HIS 45 7.739 -15.572 -6.864 355 1HB HIS 45 1HB HIS 45 8.520 -14.016 -5.112 356 2HB HIS 45 2HB HIS 45 7.015 -13.126 -5.227 357 HD1 HIS 45 1HD HIS 45 7.280 -16.932 -5.189 358 HD2 HIS 45 2HD HIS 45 5.964 -13.780 -2.753 359 HE1 HIS 45 1HE HIS 45 6.087 -18.009 -3.207 360 H HIS 46 H HIS 46 5.563 -16.414 -6.177 361 HA HIS 46 HA HIS 46 3.428 -15.004 -7.602 362 1HB HIS 46 1HB HIS 46 2.551 -17.377 -8.089 363 2HB HIS 46 2HB HIS 46 3.851 -16.737 -9.074 364 HD1 HIS 46 1HD HIS 46 3.210 -19.228 -6.281 365 HD2 HIS 46 2HD HIS 46 6.253 -18.152 -8.961 366 HE1 HIS 46 1HE HIS 46 4.998 -21.039 -6.097 367 H PHE 47 H PHE 47 2.180 -14.188 -5.978 368 HA PHE 47 HA PHE 47 1.357 -16.107 -3.922 369 1HB PHE 47 1HB PHE 47 1.502 -14.194 -2.308 370 2HB PHE 47 2HB PHE 47 3.063 -14.463 -3.058 371 HD1 PHE 47 1HD PHE 47 3.605 -13.004 -5.142 372 HD2 PHE 47 2HD PHE 47 0.562 -12.068 -2.337 373 HE1 PHE 47 1HE PHE 47 3.665 -10.605 -5.877 374 HE2 PHE 47 2HE PHE 47 0.621 -9.669 -3.072 375 HZ PHE 47 HZ PHE 47 2.172 -8.966 -4.834 376 H HIS 48 H HIS 48 -0.832 -16.106 -3.433 377 HA HIS 48 HA HIS 48 -2.459 -14.487 -5.186 378 1HB HIS 48 1HB HIS 48 -2.794 -16.976 -3.603 379 2HB HIS 48 2HB HIS 48 -4.224 -15.977 -3.764 380 HD1 HIS 48 1HD HIS 48 -2.281 -18.517 -5.522 381 HD2 HIS 48 2HD HIS 48 -4.884 -15.415 -6.615 382 HE1 HIS 48 1HE HIS 48 -3.020 -19.013 -7.913 383 H LEU 49 H LEU 49 -4.638 -13.676 -4.069 384 HA LEU 49 HA LEU 49 -4.007 -12.550 -1.449 385 1HB LEU 49 1HB LEU 49 -3.375 -10.980 -3.346 386 2HB LEU 49 2HB LEU 49 -5.087 -10.865 -3.702 387 HG LEU 49 HG LEU 49 -5.063 -10.307 -1.017 388 1HD1 LEU 49 1HD1 LEU 49 -2.428 -10.298 -1.456 389 2HD1 LEU 49 2HD1 LEU 49 -2.788 -8.623 -1.938 390 3HD1 LEU 49 3HD1 LEU 49 -3.218 -9.191 -0.307 391 1HD2 LEU 49 1HD2 LEU 49 -6.310 -8.748 -2.003 392 2HD2 LEU 49 2HD2 LEU 49 -4.809 -7.812 -2.201 393 3HD2 LEU 49 3HD2 LEU 49 -5.389 -8.854 -3.523 394 H GLN 50 H GLN 50 -5.722 -12.620 -0.058 395 HA GLN 50 HA GLN 50 -8.181 -13.628 -1.222 396 1HB GLN 50 1HB GLN 50 -7.047 -13.682 1.599 397 2HB GLN 50 2HB GLN 50 -8.711 -14.117 1.264 398 1HG GLN 50 1HG GLN 50 -6.880 -15.455 -0.601 399 2HG GLN 50 2HG GLN 50 -6.446 -15.801 1.061 400 1HE2 GLN 50 1HE2 GLN 50 -8.996 -15.910 -1.344 401 2HE2 GLN 50 2HE2 GLN 50 -9.981 -17.124 -0.599 402 H SER 51 H SER 51 -8.695 -11.414 -2.058 403 HA SER 51 HA SER 51 -9.164 -9.406 -0.091 404 1HB SER 51 1HB SER 51 -10.389 -8.534 -2.431 405 2HB SER 51 2HB SER 51 -8.735 -8.199 -1.959 406 HG SER 51 HG SER 51 -9.638 -10.421 -3.585 407 HA PRO 52 HA PRO 52 -13.407 -10.174 0.501 408 1HB PRO 52 1HB PRO 52 -14.506 -7.685 0.762 409 2HB PRO 52 2HB PRO 52 -13.620 -8.481 2.048 410 1HG PRO 52 1HG PRO 52 -12.753 -6.261 0.299 411 2HG PRO 52 2HG PRO 52 -12.079 -6.779 1.831 412 1HD PRO 52 1HD PRO 52 -10.996 -7.281 -0.777 413 2HD PRO 52 2HD PRO 52 -10.387 -7.896 0.746 414 H PHE 53 H PHE 53 -12.399 -8.644 -2.294 415 HA PHE 53 HA PHE 53 -15.095 -8.882 -3.417 416 1HB PHE 53 1HB PHE 53 -13.382 -6.771 -3.444 417 2HB PHE 53 2HB PHE 53 -12.664 -7.651 -4.778 418 HD1 PHE 53 1HD PHE 53 -13.610 -7.554 -6.928 419 HD2 PHE 53 2HD PHE 53 -15.841 -6.140 -3.607 420 HE1 PHE 53 1HE PHE 53 -15.316 -6.579 -8.490 421 HE2 PHE 53 2HE PHE 53 -17.547 -5.165 -5.169 422 HZ PHE 53 HZ PHE 53 -17.264 -5.396 -7.591 423 H GLY 54 H GLY 54 -13.182 -11.155 -2.855 424 1HA GLY 54 1HA GLY 54 -13.162 -13.138 -4.114 425 2HA GLY 54 2HA GLY 54 -13.133 -12.208 -5.599 426 HA PRO 55 HA PRO 55 -8.826 -13.260 -4.104 427 1HB PRO 55 1HB PRO 55 -8.351 -15.728 -5.177 428 2HB PRO 55 2HB PRO 55 -8.813 -15.483 -3.504 429 1HG PRO 55 1HG PRO 55 -10.450 -16.489 -5.751 430 2HG PRO 55 2HG PRO 55 -10.742 -16.633 -4.029 431 1HD PRO 55 1HD PRO 55 -12.038 -14.830 -5.844 432 2HD PRO 55 2HD PRO 55 -12.245 -14.895 -4.105 433 H SER 56 H SER 56 -6.997 -12.674 -5.218 434 HA SER 56 HA SER 56 -7.287 -12.889 -8.092 435 1HB SER 56 1HB SER 56 -7.375 -10.400 -6.537 436 2HB SER 56 2HB SER 56 -6.064 -10.379 -7.698 437 HG SER 56 HG SER 56 -8.543 -11.354 -8.663 438 HA PRO 57 HA PRO 57 -3.075 -13.920 -7.682 439 1HB PRO 57 1HB PRO 57 -2.235 -13.695 -10.272 440 2HB PRO 57 2HB PRO 57 -3.093 -15.095 -9.662 441 1HG PRO 57 1HG PRO 57 -4.096 -12.913 -11.386 442 2HG PRO 57 2HG PRO 57 -4.782 -14.503 -11.118 443 1HD PRO 57 1HD PRO 57 -5.698 -12.028 -9.996 444 2HD PRO 57 2HD PRO 57 -6.309 -13.630 -9.638 445 H CYS 58 H CYS 58 -1.050 -13.117 -7.226 446 HA CYS 58 HA CYS 58 -0.704 -10.352 -8.099 447 1HB CYS 58 1HB CYS 58 -0.210 -11.321 -5.264 448 2HB CYS 58 2HB CYS 58 0.132 -9.716 -5.879 449 HG CYS 58 HG CYS 58 -2.656 -11.261 -5.194 450 H GLN 59 H GLN 59 1.581 -9.751 -8.304 451 HA GLN 59 HA GLN 59 3.476 -11.867 -7.840 452 1HB GLN 59 1HB GLN 59 2.743 -12.374 -10.113 453 2HB GLN 59 2HB GLN 59 2.933 -10.703 -10.604 454 1HG GLN 59 1HG GLN 59 5.194 -10.912 -10.892 455 2HG GLN 59 2HG GLN 59 5.396 -11.823 -9.408 456 1HE2 GLN 59 1HE2 GLN 59 4.102 -12.077 -12.704 457 2HE2 GLN 59 2HE2 GLN 59 4.522 -13.734 -12.984 458 H VAL 60 H VAL 60 5.641 -11.089 -7.590 459 HA VAL 60 HA VAL 60 5.744 -8.226 -7.131 460 HB VAL 60 HB VAL 60 7.752 -10.412 -6.546 461 1HG1 VAL 60 1HG1 VAL 60 7.767 -7.490 -6.213 462 2HG1 VAL 60 2HG1 VAL 60 8.148 -8.385 -4.722 463 3HG1 VAL 60 3HG1 VAL 60 9.112 -8.657 -6.194 464 1HG2 VAL 60 1HG2 VAL 60 5.977 -11.037 -5.202 465 2HG2 VAL 60 2HG2 VAL 60 6.840 -9.908 -4.131 466 3HG2 VAL 60 3HG2 VAL 60 5.390 -9.367 -5.010 467 H THR 61 H THR 61 7.042 -6.783 -8.264 468 HA THR 61 HA THR 61 8.312 -7.916 -10.668 469 HB THR 61 HB THR 61 7.738 -5.807 -11.740 470 HG1 THR 61 1HG THR 61 6.742 -5.060 -9.088 471 1HG2 THR 61 1HG2 THR 61 5.475 -6.710 -9.884 472 2HG2 THR 61 2HG2 THR 61 5.263 -5.521 -11.192 473 3HG2 THR 61 3HG2 THR 61 5.720 -7.197 -11.579 474 H ASP 62 H ASP 62 8.771 -6.060 -7.708 475 HA ASP 62 HA ASP 62 11.573 -6.259 -8.113 476 1HB ASP 62 1HB ASP 62 10.176 -3.773 -8.740 477 2HB ASP 62 2HB ASP 62 11.249 -3.518 -7.379 478 H VAL 63 H VAL 63 12.506 -6.491 -6.043 479 HA VAL 63 HA VAL 63 11.425 -5.150 -3.777 480 HB VAL 63 HB VAL 63 9.741 -6.817 -3.859 481 1HG1 VAL 63 1HG1 VAL 63 11.113 -8.349 -5.389 482 2HG1 VAL 63 2HG1 VAL 63 11.814 -9.020 -3.897 483 3HG1 VAL 63 3HG1 VAL 63 10.062 -9.133 -4.185 484 1HG2 VAL 63 1HG2 VAL 63 11.335 -8.266 -1.866 485 2HG2 VAL 63 2HG2 VAL 63 11.434 -6.497 -1.697 486 3HG2 VAL 63 3HG2 VAL 63 9.849 -7.305 -1.671 487 H GLU 64 H GLU 64 13.372 -4.436 -3.046 488 HA GLU 64 HA GLU 64 15.232 -6.433 -2.214 489 1HB GLU 64 1HB GLU 64 15.886 -6.019 -4.601 490 2HB GLU 64 2HB GLU 64 16.115 -4.322 -4.231 491 1HG GLU 64 1HG GLU 64 18.239 -4.798 -3.600 492 2HG GLU 64 2HG GLU 64 17.592 -5.691 -2.238 493 H ARG 65 H ARG 65 15.322 -5.784 -0.093 494 HA ARG 65 HA ARG 65 15.622 -4.554 1.657 495 1HB ARG 65 1HB ARG 65 17.448 -3.353 -0.347 496 2HB ARG 65 2HB ARG 65 17.028 -2.238 0.938 497 1HG ARG 65 1HG ARG 65 17.520 -4.580 2.356 498 2HG ARG 65 2HG ARG 65 18.675 -4.708 1.044 499 1HD ARG 65 1HD ARG 65 18.553 -1.993 2.243 500 2HD ARG 65 2HD ARG 65 19.050 -3.232 3.378 501 HE ARG 65 HE ARG 65 20.513 -3.703 1.003 502 1HH1 ARG 65 2HH2 ARG 65 20.220 -1.156 3.415 503 2HH1 ARG 65 1HH2 ARG 65 21.844 -0.593 3.203 504 1HH2 ARG 65 2HH1 ARG 65 22.656 -2.960 0.724 505 2HH2 ARG 65 1HH1 ARG 65 23.239 -1.626 1.662 506 HA PRO 66 HA PRO 66 12.762 -1.259 1.748 507 1HB PRO 66 1HB PRO 66 13.591 0.353 3.794 508 2HB PRO 66 2HB PRO 66 12.736 -1.156 4.048 509 1HG PRO 66 1HG PRO 66 15.607 -0.565 4.431 510 2HG PRO 66 2HG PRO 66 14.667 -1.900 5.067 511 1HD PRO 66 1HD PRO 66 16.507 -1.990 2.868 512 2HD PRO 66 2HD PRO 66 15.481 -3.295 3.430 513 H ILE 67 H ILE 67 13.642 -0.744 -0.482 514 HA ILE 67 HA ILE 67 14.226 2.103 -0.389 515 HB ILE 67 HB ILE 67 15.983 1.746 -2.170 516 1HG1 ILE 67 1HG1 ILE 67 17.175 -0.568 -1.731 517 2HG1 ILE 67 2HG1 ILE 67 15.562 -1.092 -1.290 518 1HG2 ILE 67 1HG2 ILE 67 16.193 2.120 0.479 519 2HG2 ILE 67 2HG2 ILE 67 17.048 0.566 0.339 520 3HG2 ILE 67 3HG2 ILE 67 17.599 1.973 -0.602 521 1HD1 ILE 67 1HD1 ILE 67 16.663 -0.597 -3.939 522 2HD1 ILE 67 2HD1 ILE 67 15.116 -1.356 -3.494 523 3HD1 ILE 67 3HD1 ILE 67 15.220 0.411 -3.674 524 H LYS 68 H LYS 68 13.566 -0.847 -2.377 525 HA LYS 68 HA LYS 68 11.566 0.727 -3.798 526 1HB LYS 68 1HB LYS 68 13.427 0.946 -5.266 527 2HB LYS 68 2HB LYS 68 13.873 -0.740 -5.090 528 1HG LYS 68 1HG LYS 68 12.572 -1.244 -6.875 529 2HG LYS 68 2HG LYS 68 11.159 -0.760 -5.958 530 1HD LYS 68 1HD LYS 68 11.154 1.430 -6.854 531 2HD LYS 68 2HD LYS 68 12.854 1.376 -7.273 532 1HE LYS 68 1HE LYS 68 12.390 0.570 -9.346 533 2HE LYS 68 2HE LYS 68 11.446 -0.750 -8.683 534 1HZ LYS 68 1HZ LYS 68 10.381 1.161 -10.099 535 2HZ LYS 68 2HZ LYS 68 9.548 0.405 -8.914 536 3HZ LYS 68 3HZ LYS 68 10.224 1.865 -8.634 537 H LEU 69 H LEU 69 9.661 -0.340 -3.798 538 HA LEU 69 HA LEU 69 9.720 -3.243 -3.899 539 1HB LEU 69 1HB LEU 69 9.780 -2.628 -1.506 540 2HB LEU 69 2HB LEU 69 8.292 -1.725 -1.711 541 HG LEU 69 HG LEU 69 7.285 -3.968 -2.540 542 1HD1 LEU 69 1HD1 LEU 69 9.551 -5.067 -2.706 543 2HD1 LEU 69 2HD1 LEU 69 9.570 -5.117 -0.927 544 3HD1 LEU 69 3HD1 LEU 69 8.306 -5.987 -1.828 545 1HD2 LEU 69 1HD2 LEU 69 7.840 -4.282 0.335 546 2HD2 LEU 69 2HD2 LEU 69 7.264 -2.667 -0.142 547 3HD2 LEU 69 3HD2 LEU 69 6.295 -4.109 -0.533 548 H SER 70 H SER 70 8.153 -4.016 -5.241 549 HA SER 70 HA SER 70 5.826 -2.365 -5.654 550 1HB SER 70 1HB SER 70 7.701 -1.805 -7.379 551 2HB SER 70 2HB SER 70 7.366 -3.381 -8.067 552 HG SER 70 HG SER 70 5.929 -2.206 -9.191 553 H PHE 71 H PHE 71 4.000 -3.593 -6.503 554 HA PHE 71 HA PHE 71 4.403 -6.364 -7.131 555 1HB PHE 71 1HB PHE 71 3.237 -7.213 -5.188 556 2HB PHE 71 2HB PHE 71 4.343 -6.024 -4.529 557 HD1 PHE 71 1HD PHE 71 3.515 -3.895 -3.672 558 HD2 PHE 71 2HD PHE 71 0.845 -6.809 -5.217 559 HE1 PHE 71 1HE PHE 71 1.587 -2.696 -2.602 560 HE2 PHE 71 2HE PHE 71 -1.083 -5.610 -4.147 561 HZ PHE 71 HZ PHE 71 -0.688 -3.568 -2.851 562 H THR 72 H THR 72 2.736 -7.151 -8.416 563 HA THR 72 HA THR 72 0.709 -5.194 -9.136 564 HB THR 72 HB THR 72 0.383 -6.741 -11.056 565 HG1 THR 72 1HG THR 72 0.737 -8.723 -9.854 566 1HG2 THR 72 1HG2 THR 72 2.644 -5.264 -10.733 567 2HG2 THR 72 2HG2 THR 72 3.371 -6.888 -10.707 568 3HG2 THR 72 3HG2 THR 72 2.426 -6.358 -12.119 569 H TRP 73 H TRP 73 -1.534 -5.542 -9.078 570 HA TRP 73 HA TRP 73 -2.398 -7.894 -7.576 571 1HB TRP 73 1HB TRP 73 -2.120 -6.273 -5.853 572 2HB TRP 73 2HB TRP 73 -2.913 -5.026 -6.796 573 HD1 TRP 73 HD TRP 73 -4.556 -8.499 -6.601 574 HE1 TRP 73 1HE TRP 73 -6.818 -8.418 -5.244 575 HE3 TRP 73 3HE TRP 73 -4.014 -3.716 -4.963 576 HZ2 TRP 73 2HZ TRP 73 -8.098 -6.409 -3.674 577 HZ3 TRP 73 3HZ TRP 73 -5.815 -2.770 -3.523 578 HH2 TRP 73 HH TRP 73 -7.804 -4.034 -2.876 579 H ASP 74 H ASP 74 -4.208 -8.777 -8.524 580 HA ASP 74 HA ASP 74 -5.961 -9.008 -9.784 581 1HB ASP 74 1HB ASP 74 -6.131 -6.238 -8.988 582 2HB ASP 74 2HB ASP 74 -6.609 -6.334 -10.671 583 H THR 75 H THR 75 -6.829 -8.309 -12.186 584 HA THR 75 HA THR 75 -4.497 -7.580 -13.824 585 HB THR 75 HB THR 75 -5.185 -9.419 -15.384 586 HG1 THR 75 1HG THR 75 -6.935 -10.104 -13.138 587 1HG2 THR 75 1HG2 THR 75 -4.878 -11.409 -13.741 588 2HG2 THR 75 2HG2 THR 75 -3.552 -10.224 -13.799 589 3HG2 THR 75 3HG2 THR 75 -4.727 -10.180 -12.462 590 H ASP 76 H ASP 76 -6.111 -5.576 -13.117 591 HA ASP 76 HA ASP 76 -7.973 -5.382 -15.350 592 1HB ASP 76 1HB ASP 76 -9.038 -5.128 -13.140 593 2HB ASP 76 2HB ASP 76 -7.869 -3.906 -12.679 594 H GLY 77 H GLY 77 -5.368 -3.807 -13.415 595 1HA GLY 77 1HA GLY 77 -3.744 -2.677 -15.008 596 2HA GLY 77 2HA GLY 77 -5.123 -1.698 -15.467 597 H TRP 78 H TRP 78 -3.975 -2.955 -12.252 598 HA TRP 78 HA TRP 78 -3.655 -0.170 -11.403 599 1HB TRP 78 1HB TRP 78 -5.469 -2.235 -10.239 600 2HB TRP 78 2HB TRP 78 -4.634 -1.149 -9.146 601 HD1 TRP 78 HD TRP 78 -4.953 1.312 -11.541 602 HE1 TRP 78 1HE TRP 78 -7.213 2.671 -11.612 603 HE3 TRP 78 3HE TRP 78 -7.694 -2.097 -8.949 604 HZ2 TRP 78 2HZ TRP 78 -9.835 2.179 -10.599 605 HZ3 TRP 78 3HZ TRP 78 -10.097 -1.581 -8.532 606 HH2 TRP 78 HH TRP 78 -11.172 0.472 -9.311 607 H SER 79 H SER 79 -1.625 0.081 -10.569 608 HA SER 79 HA SER 79 -0.463 -2.233 -9.255 609 1HB SER 79 1HB SER 79 1.547 -0.679 -10.722 610 2HB SER 79 2HB SER 79 1.293 -2.413 -10.684 611 HG SER 79 HG SER 79 0.698 -0.702 -12.677 612 H VAL 80 H VAL 80 0.520 -1.690 -7.313 613 HA VAL 80 HA VAL 80 0.895 1.186 -6.835 614 HB VAL 80 HB VAL 80 -0.914 0.358 -5.524 615 1HG1 VAL 80 1HG1 VAL 80 -0.230 -1.529 -3.772 616 2HG1 VAL 80 2HG1 VAL 80 -0.862 -1.928 -5.387 617 3HG1 VAL 80 3HG1 VAL 80 0.890 -1.984 -5.078 618 1HG2 VAL 80 1HG2 VAL 80 1.503 1.365 -4.378 619 2HG2 VAL 80 2HG2 VAL 80 -0.174 1.602 -3.831 620 3HG2 VAL 80 3HG2 VAL 80 0.773 0.222 -3.225 621 H THR 81 H THR 81 2.848 1.879 -5.936 622 HA THR 81 HA THR 81 4.852 -0.240 -5.525 623 HB THR 81 HB THR 81 5.403 2.501 -6.752 624 HG1 THR 81 1HG THR 81 4.729 -0.119 -7.895 625 1HG2 THR 81 1HG2 THR 81 7.509 1.553 -6.373 626 2HG2 THR 81 2HG2 THR 81 6.873 -0.109 -6.391 627 3HG2 THR 81 3HG2 THR 81 7.121 0.766 -7.921 628 H PHE 82 H PHE 82 6.179 -0.072 -3.762 629 HA PHE 82 HA PHE 82 5.524 2.171 -1.990 630 1HB PHE 82 1HB PHE 82 6.599 -0.677 -1.528 631 2HB PHE 82 2HB PHE 82 6.362 0.484 -0.236 632 HD1 PHE 82 1HD PHE 82 5.086 -2.348 -0.829 633 HD2 PHE 82 2HD PHE 82 3.736 1.653 -1.243 634 HE1 PHE 82 1HE PHE 82 2.713 -3.122 -0.569 635 HE2 PHE 82 2HE PHE 82 1.362 0.879 -0.983 636 HZ PHE 82 HZ PHE 82 0.879 -1.499 -0.649 637 H HIS 83 H HIS 83 7.200 3.321 -0.941 638 HA HIS 83 HA HIS 83 9.907 2.571 -1.729 639 1HB HIS 83 1HB HIS 83 8.757 5.367 -1.945 640 2HB HIS 83 2HB HIS 83 10.433 4.929 -2.211 641 HD1 HIS 83 1HD HIS 83 10.752 3.031 -4.247 642 HD2 HIS 83 2HD HIS 83 7.251 5.341 -4.226 643 HE1 HIS 83 1HE HIS 83 9.785 2.885 -6.604 644 H LEU 84 H LEU 84 11.105 2.299 0.080 645 HA LEU 84 HA LEU 84 10.275 3.829 2.445 646 1HB LEU 84 1HB LEU 84 11.382 1.068 2.079 647 2HB LEU 84 2HB LEU 84 11.647 1.925 3.584 648 HG LEU 84 HG LEU 84 8.947 2.251 3.265 649 1HD1 LEU 84 1HD1 LEU 84 8.930 0.810 1.268 650 2HD1 LEU 84 2HD1 LEU 84 9.586 -0.529 2.241 651 3HD1 LEU 84 3HD1 LEU 84 7.972 0.128 2.604 652 1HD2 LEU 84 1HD2 LEU 84 9.668 -0.256 4.626 653 2HD2 LEU 84 2HD2 LEU 84 10.639 1.156 5.108 654 3HD2 LEU 84 3HD2 LEU 84 8.865 1.207 5.246 655 H LYS 85 H LYS 85 12.017 4.604 3.874 656 HA LYS 85 HA LYS 85 14.699 4.525 3.080 657 1HB LYS 85 1HB LYS 85 14.875 6.985 2.429 658 2HB LYS 85 2HB LYS 85 14.258 5.879 1.219 659 1HG LYS 85 1HG LYS 85 12.350 7.089 1.070 660 2HG LYS 85 2HG LYS 85 12.000 6.762 2.756 661 1HD LYS 85 1HD LYS 85 12.098 9.107 2.748 662 2HD LYS 85 2HD LYS 85 13.725 8.694 3.250 663 1HE LYS 85 1HE LYS 85 14.213 10.206 1.547 664 2HE LYS 85 2HE LYS 85 14.222 8.714 0.627 665 1HZ LYS 85 1HZ LYS 85 12.565 9.508 -0.556 666 2HZ LYS 85 2HZ LYS 85 11.609 9.638 0.761 667 3HZ LYS 85 3HZ LYS 85 12.549 10.893 0.308 668 H GLU 86 H GLU 86 15.651 4.576 5.036 669 HA GLU 86 HA GLU 86 14.273 5.542 7.265 670 1HB GLU 86 1HB GLU 86 16.304 3.793 6.925 671 2HB GLU 86 2HB GLU 86 17.256 5.198 7.361 672 1HG GLU 86 1HG GLU 86 14.931 4.945 9.126 673 2HG GLU 86 2HG GLU 86 15.866 3.462 9.123 674 H GLU 87 H GLU 87 14.361 7.505 8.362 675 HA GLU 87 HA GLU 87 16.001 9.526 7.052 676 1HB GLU 87 1HB GLU 87 13.232 9.474 7.821 677 2HB GLU 87 2HB GLU 87 14.025 10.685 8.809 678 1HG GLU 87 1HG GLU 87 15.078 11.017 6.175 679 2HG GLU 87 2HG GLU 87 13.352 10.792 5.975 680 H GLU 88 H GLU 88 15.895 11.522 9.073 681 HA GLU 88 HA GLU 88 18.049 11.066 10.529 682 1HB GLU 88 1HB GLU 88 15.649 12.791 10.874 683 2HB GLU 88 2HB GLU 88 16.599 12.568 12.330 684 1HG GLU 88 1HG GLU 88 18.675 13.183 10.957 685 2HG GLU 88 2HG GLU 88 17.599 13.607 9.641 686 H ASN 89 H ASN 89 14.953 11.070 12.393 687 HA ASN 89 HA ASN 89 15.928 8.646 13.689 688 1HB ASN 89 1HB ASN 89 14.771 11.202 14.814 689 2HB ASN 89 2HB ASN 89 14.368 9.709 15.638 690 1HD2 ASN 89 1HD2 ASN 89 16.003 11.994 16.466 691 2HD2 ASN 89 2HD2 ASN 89 17.564 11.378 16.897 692 H GLY 90 H GLY 90 14.410 8.118 11.551 693 1HA GLY 90 1HA GLY 90 12.086 6.896 12.497 694 2HA GLY 90 2HA GLY 90 11.617 8.431 11.794 695 H THR 91 H THR 91 10.552 6.384 10.481 696 HA THR 91 HA THR 91 12.330 5.952 8.169 697 HB THR 91 HB THR 91 10.078 4.186 9.266 698 HG1 THR 91 1HG THR 91 12.099 4.337 10.549 699 1HG2 THR 91 1HG2 THR 91 12.258 3.611 7.193 700 2HG2 THR 91 2HG2 THR 91 10.981 2.492 7.727 701 3HG2 THR 91 3HG2 THR 91 10.558 3.938 6.780 702 H ILE 92 H ILE 92 11.661 6.573 6.178 703 HA ILE 92 HA ILE 92 9.146 8.037 6.132 704 HB ILE 92 HB ILE 92 11.527 7.953 4.283 705 1HG1 ILE 92 1HG1 ILE 92 12.074 9.196 6.212 706 2HG1 ILE 92 2HG1 ILE 92 11.667 10.378 4.984 707 1HG2 ILE 92 1HG2 ILE 92 9.938 8.387 2.711 708 2HG2 ILE 92 2HG2 ILE 92 8.789 9.065 3.888 709 3HG2 ILE 92 3HG2 ILE 92 10.174 10.037 3.336 710 1HD1 ILE 92 1HD1 ILE 92 10.443 11.190 6.802 711 2HD1 ILE 92 2HD1 ILE 92 9.218 10.171 6.009 712 3HD1 ILE 92 3HD1 ILE 92 10.099 9.560 7.431 713 H PHE 93 H PHE 93 7.330 7.262 5.186 714 HA PHE 93 HA PHE 93 7.676 4.887 3.492 715 1HB PHE 93 1HB PHE 93 6.524 4.820 5.880 716 2HB PHE 93 2HB PHE 93 5.217 5.713 5.128 717 HD1 PHE 93 1HD PHE 93 4.506 4.578 2.737 718 HD2 PHE 93 2HD PHE 93 6.179 2.559 6.074 719 HE1 PHE 93 1HE PHE 93 3.491 2.424 1.943 720 HE2 PHE 93 2HE PHE 93 5.164 0.405 5.280 721 HZ PHE 93 HZ PHE 93 3.832 0.363 3.224 722 H THR 94 H THR 94 7.148 5.222 1.390 723 HA THR 94 HA THR 94 5.116 7.286 0.840 724 HB THR 94 HB THR 94 7.598 6.520 -0.787 725 HG1 THR 94 1HG THR 94 7.901 7.725 1.278 726 1HG2 THR 94 1HG2 THR 94 5.239 8.310 -1.260 727 2HG2 THR 94 2HG2 THR 94 6.834 9.032 -1.580 728 3HG2 THR 94 3HG2 THR 94 6.336 7.554 -2.439 729 H ILE 95 H ILE 95 3.477 6.818 -0.583 730 HA ILE 95 HA ILE 95 3.539 4.097 -1.684 731 HB ILE 95 HB ILE 95 2.072 3.785 0.033 732 1HG1 ILE 95 1HG1 ILE 95 1.043 3.482 -2.321 733 2HG1 ILE 95 2HG1 ILE 95 -0.004 3.404 -0.917 734 1HG2 ILE 95 1HG2 ILE 95 1.858 5.722 1.212 735 2HG2 ILE 95 2HG2 ILE 95 1.512 6.702 -0.233 736 3HG2 ILE 95 3HG2 ILE 95 0.244 5.665 0.463 737 1HD1 ILE 95 1HD1 ILE 95 0.321 6.162 -1.918 738 2HD1 ILE 95 2HD1 ILE 95 -0.378 5.060 -3.128 739 3HD1 ILE 95 3HD1 ILE 95 -1.166 5.258 -1.545 740 H VAL 96 H VAL 96 2.782 3.862 -3.793 741 HA VAL 96 HA VAL 96 1.753 6.294 -5.055 742 HB VAL 96 HB VAL 96 3.963 4.535 -6.137 743 1HG1 VAL 96 1HG1 VAL 96 4.076 6.103 -7.994 744 2HG1 VAL 96 2HG1 VAL 96 2.436 5.423 -7.875 745 3HG1 VAL 96 3HG1 VAL 96 2.760 7.073 -7.291 746 1HG2 VAL 96 1HG2 VAL 96 5.321 5.806 -4.893 747 2HG2 VAL 96 2HG2 VAL 96 4.892 7.155 -5.972 748 3HG2 VAL 96 3HG2 VAL 96 4.002 6.916 -4.449 749 H HIS 97 H HIS 97 0.070 5.929 -6.469 750 HA HIS 97 HA HIS 97 -0.395 3.160 -7.250 751 1HB HIS 97 1HB HIS 97 -1.704 3.886 -5.141 752 2HB HIS 97 2HB HIS 97 -2.650 4.883 -6.228 753 HD1 HIS 97 1HD HIS 97 -4.810 3.497 -5.888 754 HD2 HIS 97 2HD HIS 97 -1.581 1.273 -7.379 755 HE1 HIS 97 1HE HIS 97 -5.773 1.260 -6.647 756 H SER 98 H SER 98 -0.820 2.998 -9.403 757 HA SER 98 HA SER 98 -1.998 5.317 -10.680 758 1HB SER 98 1HB SER 98 0.494 3.888 -11.711 759 2HB SER 98 2HB SER 98 -0.370 5.152 -12.564 760 HG SER 98 HG SER 98 1.471 5.353 -10.485 761 H GLY 99 H GLY 99 -2.452 4.618 -13.168 762 1HA GLY 99 1HA GLY 99 -2.957 2.797 -14.613 763 2HA GLY 99 2HA GLY 99 -3.262 1.782 -13.217 764 H TRP 100 H TRP 100 -4.366 5.187 -13.589 765 HA TRP 100 HA TRP 100 -7.111 4.189 -13.387 766 1HB TRP 100 1HB TRP 100 -6.005 6.959 -12.887 767 2HB TRP 100 2HB TRP 100 -7.667 6.452 -12.659 768 HD1 TRP 100 HD TRP 100 -4.156 5.718 -11.141 769 HE1 TRP 100 1HE TRP 100 -4.371 4.947 -8.626 770 HE3 TRP 100 3HE TRP 100 -9.239 5.574 -11.070 771 HZ2 TRP 100 2HZ TRP 100 -6.592 4.376 -6.928 772 HZ3 TRP 100 3HZ TRP 100 -10.351 4.899 -8.943 773 HH2 TRP 100 HH TRP 100 -9.113 4.313 -6.920 774 H LYS 101 H LYS 101 -8.620 6.086 -14.547 775 HA LYS 101 HA LYS 101 -7.515 6.333 -17.259 776 1HB LYS 101 1HB LYS 101 -10.458 6.024 -16.718 777 2HB LYS 101 2HB LYS 101 -9.565 5.726 -18.196 778 1HG LYS 101 1HG LYS 101 -8.425 3.778 -17.119 779 2HG LYS 101 2HG LYS 101 -9.305 4.079 -15.634 780 1HD LYS 101 1HD LYS 101 -11.367 3.393 -16.546 781 2HD LYS 101 2HD LYS 101 -10.878 3.742 -18.192 782 1HE LYS 101 1HE LYS 101 -9.038 1.797 -17.505 783 2HE LYS 101 2HE LYS 101 -10.423 1.288 -16.560 784 1HZ LYS 101 1HZ LYS 101 -10.516 1.882 -19.437 785 2HZ LYS 101 2HZ LYS 101 -10.408 0.381 -18.802 786 3HZ LYS 101 3HZ LYS 101 -11.740 1.287 -18.535 787 H GLN 102 H GLN 102 -10.242 7.768 -17.788 788 HA GLN 102 HA GLN 102 -9.186 10.338 -17.038 789 1HB GLN 102 1HB GLN 102 -10.107 9.650 -19.381 790 2HB GLN 102 2HB GLN 102 -11.697 9.843 -18.672 791 1HG GLN 102 1HG GLN 102 -11.328 12.178 -18.206 792 2HG GLN 102 2HG GLN 102 -9.601 12.039 -18.465 793 1HE2 GLN 102 1HE2 GLN 102 -12.753 11.758 -20.042 794 2HE2 GLN 102 2HE2 GLN 102 -12.257 12.221 -21.636 795 H GLY 103 H GLY 103 -10.607 12.029 -16.066 796 1HA GLY 103 1HA GLY 103 -12.191 10.886 -13.921 797 2HA GLY 103 2HA GLY 103 -11.701 12.556 -14.123 798 H ASP 104 H ASP 104 -13.466 10.303 -16.360 799 HA ASP 104 HA ASP 104 -15.956 11.397 -15.895 800 1HB ASP 104 1HB ASP 104 -14.374 13.178 -17.346 801 2HB ASP 104 2HB ASP 104 -15.212 12.314 -18.620 802 H THR 105 H THR 105 -14.677 8.830 -16.303 803 HA THR 105 HA THR 105 -16.138 7.933 -18.677 804 HB THR 105 HB THR 105 -13.444 8.310 -18.825 805 HG1 THR 105 1HG THR 105 -15.122 7.397 -20.367 806 1HG2 THR 105 1HG2 THR 105 -13.509 5.349 -18.385 807 2HG2 THR 105 2HG2 THR 105 -12.177 6.500 -18.124 808 3HG2 THR 105 3HG2 THR 105 -13.464 6.338 -16.906 809 H LYS 106 H LYS 106 -16.165 7.942 -15.496 810 HA LYS 106 HA LYS 106 -16.751 6.541 -13.888 811 1HB LYS 106 1HB LYS 106 -18.694 6.424 -15.533 812 2HB LYS 106 2HB LYS 106 -18.054 4.880 -16.056 813 1HG LYS 106 1HG LYS 106 -18.592 3.812 -14.063 814 2HG LYS 106 2HG LYS 106 -18.337 5.249 -13.093 815 1HD LYS 106 1HD LYS 106 -20.467 6.212 -13.849 816 2HD LYS 106 2HD LYS 106 -20.698 4.911 -15.000 817 1HE LYS 106 1HE LYS 106 -20.244 3.869 -12.286 818 2HE LYS 106 2HE LYS 106 -21.606 4.971 -12.326 819 1HZ LYS 106 1HZ LYS 106 -22.783 3.529 -13.503 820 2HZ LYS 106 2HZ LYS 106 -21.562 3.162 -14.524 821 3HZ LYS 106 3HZ LYS 106 -21.676 2.405 -13.081 822 H VAL 107 H VAL 107 -16.759 4.040 -13.193 823 HA VAL 107 HA VAL 107 -14.272 2.911 -14.280 824 HB VAL 107 HB VAL 107 -15.297 2.856 -11.434 825 1HG1 VAL 107 1HG1 VAL 107 -13.827 0.910 -12.511 826 2HG1 VAL 107 2HG1 VAL 107 -12.511 2.061 -12.175 827 3HG1 VAL 107 3HG1 VAL 107 -13.554 1.489 -10.850 828 1HG2 VAL 107 1HG2 VAL 107 -13.771 4.506 -10.868 829 2HG2 VAL 107 2HG2 VAL 107 -12.756 4.212 -12.301 830 3HG2 VAL 107 3HG2 VAL 107 -14.315 5.055 -12.472 831 H GLU 108 H GLU 108 -14.541 0.976 -15.259 832 HA GLU 108 HA GLU 108 -17.073 -0.328 -14.905 833 1HB GLU 108 1HB GLU 108 -16.220 -1.820 -16.758 834 2HB GLU 108 2HB GLU 108 -16.287 -0.120 -17.179 835 1HG GLU 108 1HG GLU 108 -13.931 0.147 -17.040 836 2HG GLU 108 2HG GLU 108 -13.729 -1.271 -16.030 837 H LYS 109 H LYS 109 -15.735 -0.406 -12.497 838 HA LYS 109 HA LYS 109 -15.426 -3.224 -12.144 839 1HB LYS 109 1HB LYS 109 -13.149 -2.395 -12.975 840 2HB LYS 109 2HB LYS 109 -13.013 -1.538 -11.452 841 1HG LYS 109 1HG LYS 109 -13.866 -4.369 -11.154 842 2HG LYS 109 2HG LYS 109 -12.277 -4.186 -11.870 843 1HD LYS 109 1HD LYS 109 -11.614 -2.681 -9.963 844 2HD LYS 109 2HD LYS 109 -13.191 -2.928 -9.239 845 1HE LYS 109 1HE LYS 109 -11.750 -5.439 -9.966 846 2HE LYS 109 2HE LYS 109 -10.973 -4.488 -8.716 847 1HZ LYS 109 1HZ LYS 109 -13.230 -6.080 -8.490 848 2HZ LYS 109 2HZ LYS 109 -12.480 -5.226 -7.318 849 3HZ LYS 109 3HZ LYS 109 -13.689 -4.544 -8.179 850 H ALA 110 H ALA 110 -14.172 -0.316 -10.374 851 HA ALA 110 HA ALA 110 -14.935 -1.022 -7.891 852 1HB ALA 110 1HB ALA 110 -14.759 1.295 -7.336 853 2HB ALA 110 2HB ALA 110 -13.656 1.037 -8.710 854 3HB ALA 110 3HB ALA 110 -15.244 1.798 -8.973 855 H GLY 111 H GLY 111 -16.944 1.260 -9.887 856 1HA GLY 111 1HA GLY 111 -19.270 0.456 -10.290 857 2HA GLY 111 2HA GLY 111 -19.325 0.089 -8.578 858 H ALA 112 H ALA 112 -17.929 2.920 -10.379 859 HA ALA 112 HA ALA 112 -19.941 4.718 -9.910 860 1HB ALA 112 1HB ALA 112 -19.852 4.622 -7.585 861 2HB ALA 112 2HB ALA 112 -18.098 4.318 -7.559 862 3HB ALA 112 3HB ALA 112 -18.714 5.949 -7.921 863 H GLU 113 H GLU 113 -18.654 7.112 -9.530 864 HA GLU 113 HA GLU 113 -17.223 7.321 -11.917 865 1HB GLU 113 1HB GLU 113 -17.600 9.263 -9.599 866 2HB GLU 113 2HB GLU 113 -16.815 9.703 -11.103 867 1HG GLU 113 1HG GLU 113 -18.857 9.154 -12.381 868 2HG GLU 113 2HG GLU 113 -19.645 8.565 -10.930 869 H SER 114 H SER 114 -14.975 7.838 -12.290 870 HA SER 114 HA SER 114 -13.256 6.421 -10.612 871 1HB SER 114 1HB SER 114 -11.459 7.541 -12.087 872 2HB SER 114 2HB SER 114 -12.642 6.535 -12.899 873 HG SER 114 HG SER 114 -12.750 9.424 -12.679 874 H ALA 115 H ALA 115 -14.106 9.887 -10.977 875 HA ALA 115 HA ALA 115 -12.007 10.913 -9.423 876 1HB ALA 115 1HB ALA 115 -14.399 11.830 -10.777 877 2HB ALA 115 2HB ALA 115 -14.282 12.583 -9.168 878 3HB ALA 115 3HB ALA 115 -12.941 12.746 -10.326 879 H VAL 116 H VAL 116 -15.302 9.684 -8.651 880 HA VAL 116 HA VAL 116 -15.191 10.457 -5.933 881 HB VAL 116 HB VAL 116 -16.853 8.412 -7.416 882 1HG1 VAL 116 1HG1 VAL 116 -17.955 9.566 -4.944 883 2HG1 VAL 116 2HG1 VAL 116 -17.959 7.885 -5.530 884 3HG1 VAL 116 3HG1 VAL 116 -16.531 8.530 -4.685 885 1HG2 VAL 116 1HG2 VAL 116 -18.601 10.152 -7.354 886 2HG2 VAL 116 2HG2 VAL 116 -17.450 11.273 -6.589 887 3HG2 VAL 116 3HG2 VAL 116 -17.157 10.691 -8.245 888 H VAL 117 H VAL 117 -14.609 7.335 -7.686 889 HA VAL 117 HA VAL 117 -13.975 5.871 -5.395 890 HB VAL 117 HB VAL 117 -13.177 5.558 -8.294 891 1HG1 VAL 117 1HG1 VAL 117 -12.932 3.083 -7.523 892 2HG1 VAL 117 2HG1 VAL 117 -11.602 4.224 -7.210 893 3HG1 VAL 117 3HG1 VAL 117 -12.724 3.783 -5.900 894 1HG2 VAL 117 1HG2 VAL 117 -15.675 5.470 -7.340 895 2HG2 VAL 117 2HG2 VAL 117 -15.108 4.384 -8.631 896 3HG2 VAL 117 3HG2 VAL 117 -15.184 3.804 -6.950 897 H HIS 118 H HIS 118 -11.942 7.776 -7.700 898 HA HIS 118 HA HIS 118 -9.487 7.103 -6.713 899 1HB HIS 118 1HB HIS 118 -9.772 8.381 -8.736 900 2HB HIS 118 2HB HIS 118 -10.495 9.716 -7.860 901 HD1 HIS 118 1HD HIS 118 -7.408 8.832 -9.368 902 HD2 HIS 118 2HD HIS 118 -8.440 10.688 -5.750 903 HE1 HIS 118 1HE HIS 118 -5.331 10.097 -8.596 904 H GLU 119 H GLU 119 -11.749 9.691 -5.576 905 HA GLU 119 HA GLU 119 -10.023 10.612 -3.595 906 1HB GLU 119 1HB GLU 119 -13.055 10.780 -3.864 907 2HB GLU 119 2HB GLU 119 -12.143 11.651 -2.648 908 1HG GLU 119 1HG GLU 119 -11.025 13.001 -4.264 909 2HG GLU 119 2HG GLU 119 -11.377 11.892 -5.575 910 H ARG 120 H ARG 120 -12.794 8.276 -3.530 911 HA ARG 120 HA ARG 120 -12.763 7.828 -0.833 912 1HB ARG 120 1HB ARG 120 -13.853 6.529 -3.241 913 2HB ARG 120 2HB ARG 120 -13.434 5.344 -2.020 914 1HG ARG 120 1HG ARG 120 -14.678 7.247 -0.462 915 2HG ARG 120 2HG ARG 120 -15.547 7.453 -1.970 916 1HD ARG 120 1HD ARG 120 -16.813 5.768 -0.925 917 2HD ARG 120 2HD ARG 120 -15.748 4.820 -1.944 918 HE ARG 120 HE ARG 120 -14.651 5.343 0.727 919 1HH1 ARG 120 2HH2 ARG 120 -16.639 3.184 -1.214 920 2HH1 ARG 120 1HH2 ARG 120 -16.422 1.828 -0.159 921 1HH2 ARG 120 2HH1 ARG 120 -14.363 3.554 2.119 922 2HH2 ARG 120 1HH1 ARG 120 -15.119 2.039 1.750 923 H MET 121 H MET 121 -11.310 5.727 -3.441 924 HA MET 121 HA MET 121 -10.015 4.008 -1.775 925 1HB MET 121 1HB MET 121 -9.989 4.780 -4.600 926 2HB MET 121 2HB MET 121 -8.350 4.436 -4.083 927 1HG MET 121 1HG MET 121 -10.257 2.438 -3.050 928 2HG MET 121 2HG MET 121 -10.306 2.537 -4.798 929 1HE MET 121 1HE MET 121 -9.564 0.670 -5.549 930 2HE MET 121 2HE MET 121 -7.902 0.032 -5.552 931 3HE MET 121 3HE MET 121 -9.010 -0.377 -4.220 932 H ASP 122 H ASP 122 -8.847 7.142 -3.153 933 HA ASP 122 HA ASP 122 -6.265 6.995 -2.324 934 1HB ASP 122 1HB ASP 122 -7.080 8.806 -3.745 935 2HB ASP 122 2HB ASP 122 -8.171 9.369 -2.495 936 H ARG 123 H ARG 123 -9.131 8.487 -0.628 937 HA ARG 123 HA ARG 123 -7.880 9.298 1.621 938 1HB ARG 123 1HB ARG 123 -10.637 8.629 0.815 939 2HB ARG 123 2HB ARG 123 -10.380 8.334 2.523 940 1HG ARG 123 1HG ARG 123 -9.222 10.897 1.548 941 2HG ARG 123 2HG ARG 123 -10.967 10.805 1.411 942 1HD ARG 123 1HD ARG 123 -11.192 11.155 3.642 943 2HD ARG 123 2HD ARG 123 -10.236 9.729 3.990 944 HE ARG 123 HE ARG 123 -8.463 11.840 3.212 945 1HH1 ARG 123 2HH2 ARG 123 -10.581 10.933 5.872 946 2HH1 ARG 123 1HH2 ARG 123 -9.670 11.801 7.062 947 1HH2 ARG 123 2HH1 ARG 123 -7.261 12.986 4.782 948 2HH2 ARG 123 1HH1 ARG 123 -7.769 12.977 6.437 949 H GLY 124 H GLY 124 -9.497 6.091 1.024 950 1HA GLY 124 1HA GLY 124 -8.838 4.959 3.520 951 2HA GLY 124 2HA GLY 124 -9.314 4.106 2.065 952 H TRP 125 H TRP 125 -7.034 5.407 0.486 953 HA TRP 125 HA TRP 125 -5.140 3.360 0.955 954 1HB TRP 125 1HB TRP 125 -5.646 5.443 -1.005 955 2HB TRP 125 2HB TRP 125 -3.938 5.311 -0.636 956 HD1 TRP 125 HD TRP 125 -6.237 3.948 -3.051 957 HE1 TRP 125 1HE TRP 125 -5.523 1.632 -4.094 958 HE3 TRP 125 3HE TRP 125 -2.761 2.830 0.487 959 HZ2 TRP 125 2HZ TRP 125 -3.627 -0.363 -3.340 960 HZ3 TRP 125 3HZ TRP 125 -1.523 0.679 0.260 961 HH2 TRP 125 HH TRP 125 -1.909 -0.893 -1.571 962 H HIS 126 H HIS 126 -5.099 6.977 1.368 963 HA HIS 126 HA HIS 126 -2.597 7.032 2.590 964 1HB HIS 126 1HB HIS 126 -3.863 8.939 1.520 965 2HB HIS 126 2HB HIS 126 -4.857 9.012 2.961 966 HD1 HIS 126 1HD HIS 126 -4.102 11.167 4.025 967 HD2 HIS 126 2HD HIS 126 -0.888 8.703 2.934 968 HE1 HIS 126 1HE HIS 126 -2.002 12.280 4.953 969 H ASP 127 H ASP 127 -5.937 7.160 4.020 970 HA ASP 127 HA ASP 127 -5.205 7.271 6.620 971 1HB ASP 127 1HB ASP 127 -7.563 7.117 5.335 972 2HB ASP 127 2HB ASP 127 -7.468 5.436 5.821 973 H LEU 128 H LEU 128 -5.390 4.472 4.366 974 HA LEU 128 HA LEU 128 -5.080 2.467 6.316 975 1HB LEU 128 1HB LEU 128 -6.018 1.882 4.244 976 2HB LEU 128 2HB LEU 128 -4.702 2.601 3.337 977 HG LEU 128 HG LEU 128 -3.176 0.833 4.119 978 1HD1 LEU 128 1HD1 LEU 128 -5.342 -0.884 5.165 979 2HD1 LEU 128 2HD1 LEU 128 -3.649 -0.711 5.687 980 3HD1 LEU 128 3HD1 LEU 128 -4.867 0.480 6.206 981 1HD2 LEU 128 1HD2 LEU 128 -5.635 0.268 2.547 982 2HD2 LEU 128 2HD2 LEU 128 -3.920 0.190 2.077 983 3HD2 LEU 128 3HD2 LEU 128 -4.642 -1.127 3.032 984 H VAL 129 H VAL 129 -2.880 4.734 4.765 985 HA VAL 129 HA VAL 129 -0.650 3.306 6.043 986 HB VAL 129 HB VAL 129 -0.806 3.497 3.463 987 1HG1 VAL 129 1HG1 VAL 129 -0.214 5.490 2.420 988 2HG1 VAL 129 2HG1 VAL 129 -1.281 6.050 3.730 989 3HG1 VAL 129 3HG1 VAL 129 0.486 6.182 3.904 990 1HG2 VAL 129 1HG2 VAL 129 1.158 2.614 4.449 991 2HG2 VAL 129 2HG2 VAL 129 1.710 3.910 3.362 992 3HG2 VAL 129 3HG2 VAL 129 1.631 4.194 5.117 993 H ASN 130 H ASN 130 -2.521 5.160 7.333 994 HA ASN 130 HA ASN 130 -0.661 7.366 7.762 995 1HB ASN 130 1HB ASN 130 -3.228 7.640 6.847 996 2HB ASN 130 2HB ASN 130 -3.548 7.646 8.570 997 1HD2 ASN 130 1HD2 ASN 130 -1.606 9.126 6.018 998 2HD2 ASN 130 2HD2 ASN 130 -1.400 10.680 6.754 999 H GLU 131 H GLU 131 -3.302 5.312 9.199 1000 HA GLU 131 HA GLU 131 -1.912 5.572 11.753 1001 1HB GLU 131 1HB GLU 131 -4.885 5.013 11.419 1002 2HB GLU 131 2HB GLU 131 -4.040 5.429 12.897 1003 1HG GLU 131 1HG GLU 131 -3.441 7.510 11.027 1004 2HG GLU 131 2HG GLU 131 -5.159 7.199 10.874 1005 H ARG 132 H ARG 132 -4.121 3.442 9.802 1006 HA ARG 132 HA ARG 132 -4.044 1.202 11.185 1007 1HB ARG 132 1HB ARG 132 -3.711 1.563 8.170 1008 2HB ARG 132 2HB ARG 132 -3.984 -0.011 8.892 1009 1HG ARG 132 1HG ARG 132 -5.887 1.999 9.904 1010 2HG ARG 132 2HG ARG 132 -5.961 1.855 8.159 1011 1HD ARG 132 1HD ARG 132 -6.879 -0.245 8.246 1012 2HD ARG 132 2HD ARG 132 -5.792 -0.773 9.515 1013 HE ARG 132 HE ARG 132 -7.412 -0.208 11.107 1014 1HH1 ARG 132 2HH2 ARG 132 -8.181 1.390 8.068 1015 2HH1 ARG 132 1HH2 ARG 132 -9.715 1.977 8.617 1016 1HH2 ARG 132 2HH1 ARG 132 -9.436 0.566 11.832 1017 2HH2 ARG 132 1HH1 ARG 132 -10.434 1.505 10.773 1018 H LEU 133 H LEU 133 -1.558 2.010 8.638 1019 HA LEU 133 HA LEU 133 0.124 -0.131 9.333 1020 1HB LEU 133 1HB LEU 133 0.197 0.791 7.147 1021 2HB LEU 133 2HB LEU 133 0.522 2.403 7.754 1022 HG LEU 133 HG LEU 133 2.738 1.591 8.592 1023 1HD1 LEU 133 1HD1 LEU 133 2.345 -0.857 6.882 1024 2HD1 LEU 133 2HD1 LEU 133 3.603 -0.516 8.095 1025 3HD1 LEU 133 3HD1 LEU 133 1.935 -0.855 8.614 1026 1HD2 LEU 133 1HD2 LEU 133 2.125 2.597 6.214 1027 2HD2 LEU 133 2HD2 LEU 133 3.774 2.060 6.616 1028 3HD2 LEU 133 3HD2 LEU 133 2.701 1.004 5.667 1029 H ARG 134 H ARG 134 -0.063 3.317 10.334 1030 HA ARG 134 HA ARG 134 2.312 3.508 11.614 1031 1HB ARG 134 1HB ARG 134 0.437 5.277 11.271 1032 2HB ARG 134 2HB ARG 134 -0.282 4.654 12.743 1033 1HG ARG 134 1HG ARG 134 2.448 5.033 13.393 1034 2HG ARG 134 2HG ARG 134 2.033 6.428 12.417 1035 1HD ARG 134 1HD ARG 134 0.011 5.664 14.491 1036 2HD ARG 134 2HD ARG 134 1.540 6.255 15.111 1037 HE ARG 134 HE ARG 134 0.963 8.119 13.181 1038 1HH1 ARG 134 2HH2 ARG 134 -0.943 6.778 15.818 1039 2HH1 ARG 134 1HH2 ARG 134 -1.895 8.209 16.027 1040 1HH2 ARG 134 2HH1 ARG 134 -0.294 10.007 13.456 1041 2HH2 ARG 134 1HH1 ARG 134 -1.524 10.058 14.675 1042 H GLN 135 H GLN 135 -0.683 1.844 12.606 1043 HA GLN 135 HA GLN 135 0.140 1.531 15.297 1044 1HB GLN 135 1HB GLN 135 -2.223 1.036 13.714 1045 2HB GLN 135 2HB GLN 135 -1.822 -0.439 14.570 1046 1HG GLN 135 1HG GLN 135 -1.427 1.536 16.518 1047 2HG GLN 135 2HG GLN 135 -2.815 2.136 15.632 1048 1HE2 GLN 135 1HE2 GLN 135 -2.796 1.227 18.309 1049 2HE2 GLN 135 2HE2 GLN 135 -3.834 -0.153 18.446 1050 H ILE 136 H ILE 136 0.485 -0.271 12.250 1051 HA ILE 136 HA ILE 136 1.077 -2.776 13.251 1052 HB ILE 136 HB ILE 136 2.125 -1.356 10.801 1053 1HG1 ILE 136 1HG1 ILE 136 -0.322 -1.461 10.906 1054 2HG1 ILE 136 2HG1 ILE 136 0.317 -2.465 9.620 1055 1HG2 ILE 136 1HG2 ILE 136 3.587 -3.133 10.983 1056 2HG2 ILE 136 2HG2 ILE 136 2.380 -4.194 11.747 1057 3HG2 ILE 136 3HG2 ILE 136 2.275 -3.836 10.006 1058 1HD1 ILE 136 1HD1 ILE 136 -1.148 -3.990 10.558 1059 2HD1 ILE 136 2HD1 ILE 136 0.276 -4.335 11.569 1060 3HD1 ILE 136 3HD1 ILE 136 -1.016 -3.275 12.183 1061 H VAL 137 H VAL 137 2.837 0.233 13.478 1062 HA VAL 137 HA VAL 137 5.183 -1.266 14.417 1063 HB VAL 137 HB VAL 137 6.479 0.725 13.879 1064 1HG1 VAL 137 1HG1 VAL 137 5.720 -1.154 12.154 1065 2HG1 VAL 137 2HG1 VAL 137 4.947 0.236 11.355 1066 3HG1 VAL 137 3HG1 VAL 137 6.703 0.242 11.648 1067 1HG2 VAL 137 1HG2 VAL 137 3.856 1.851 12.841 1068 2HG2 VAL 137 2HG2 VAL 137 4.804 2.452 14.223 1069 3HG2 VAL 137 3HG2 VAL 137 5.461 2.573 12.573 1070 H GLU 138 H GLU 138 2.803 1.335 15.042 1071 HA GLU 138 HA GLU 138 4.027 1.856 17.591 1072 1HB GLU 138 1HB GLU 138 1.633 3.045 16.135 1073 2HB GLU 138 2HB GLU 138 2.052 3.503 17.774 1074 1HG GLU 138 1HG GLU 138 4.470 3.606 16.212 1075 2HG GLU 138 2HG GLU 138 3.221 4.427 15.296 Start of MODEL 18 1 1H MET 1 H MET 1 -0.262 16.634 -15.333 2 HA MET 1 HA MET 1 -2.148 17.771 -14.957 3 1HB MET 1 1HB MET 1 -2.555 19.303 -16.923 4 2HB MET 1 2HB MET 1 -0.844 19.073 -16.619 5 1HG MET 1 1HG MET 1 -0.531 18.180 -18.686 6 2HG MET 1 2HG MET 1 -1.781 16.982 -18.415 7 1HE MET 1 1HE MET 1 -0.867 20.181 -20.444 8 2HE MET 1 2HE MET 1 -0.870 18.491 -21.004 9 3HE MET 1 3HE MET 1 -2.042 19.653 -21.672 10 H THR 2 H THR 2 -4.416 17.768 -14.926 11 HA THR 2 HA THR 2 -6.482 17.032 -15.288 12 HB THR 2 HB THR 2 -5.406 16.527 -18.113 13 HG1 THR 2 1HG THR 2 -5.439 18.737 -17.968 14 1HG2 THR 2 1HG2 THR 2 -7.559 15.472 -18.072 15 2HG2 THR 2 2HG2 THR 2 -8.210 16.666 -16.923 16 3HG2 THR 2 3HG2 THR 2 -7.907 17.131 -18.614 17 H ARG 3 H ARG 3 -7.846 15.040 -15.785 18 HA ARG 3 HA ARG 3 -8.246 12.939 -15.486 19 1HB ARG 3 1HB ARG 3 -6.402 12.812 -17.406 20 2HB ARG 3 2HB ARG 3 -5.399 12.120 -16.147 21 1HG ARG 3 1HG ARG 3 -7.574 10.594 -15.728 22 2HG ARG 3 2HG ARG 3 -7.914 11.013 -17.396 23 1HD ARG 3 1HD ARG 3 -5.100 10.153 -16.839 24 2HD ARG 3 2HD ARG 3 -6.318 8.907 -16.650 25 HE ARG 3 HE ARG 3 -6.979 10.093 -19.073 26 1HH1 ARG 3 2HH2 ARG 3 -4.056 8.635 -17.764 27 2HH1 ARG 3 1HH2 ARG 3 -3.475 8.109 -19.309 28 1HH2 ARG 3 2HH1 ARG 3 -6.212 9.399 -21.110 29 2HH2 ARG 3 1HH1 ARG 3 -4.709 8.546 -21.225 30 H LEU 4 H LEU 4 -8.208 11.425 -13.734 31 HA LEU 4 HA LEU 4 -7.261 12.204 -11.342 32 1HB LEU 4 1HB LEU 4 -7.623 9.379 -12.349 33 2HB LEU 4 2HB LEU 4 -7.455 9.826 -10.662 34 HG LEU 4 HG LEU 4 -9.673 10.853 -12.450 35 1HD1 LEU 4 1HD1 LEU 4 -9.659 8.470 -10.581 36 2HD1 LEU 4 2HD1 LEU 4 -11.123 9.205 -11.277 37 3HD1 LEU 4 3HD1 LEU 4 -9.906 8.464 -12.344 38 1HD2 LEU 4 1HD2 LEU 4 -9.436 10.832 -9.429 39 2HD2 LEU 4 2HD2 LEU 4 -9.125 12.240 -10.473 40 3HD2 LEU 4 3HD2 LEU 4 -10.755 11.530 -10.400 41 HA PRO 5 HA PRO 5 -2.942 11.784 -11.869 42 1HB PRO 5 1HB PRO 5 -2.203 13.048 -9.562 43 2HB PRO 5 2HB PRO 5 -2.534 13.900 -11.057 44 1HG PRO 5 1HG PRO 5 -4.207 13.700 -8.628 45 2HG PRO 5 2HG PRO 5 -4.307 14.861 -9.938 46 1HD PRO 5 1HD PRO 5 -6.030 12.609 -9.504 47 2HD PRO 5 2HD PRO 5 -6.057 13.701 -10.875 48 H ASP 6 H ASP 6 -0.992 11.045 -10.452 49 HA ASP 6 HA ASP 6 -1.709 8.463 -9.677 50 1HB ASP 6 1HB ASP 6 0.827 9.970 -8.900 51 2HB ASP 6 2HB ASP 6 0.639 8.233 -9.028 52 H ILE 7 H ILE 7 -2.274 7.672 -7.617 53 HA ILE 7 HA ILE 7 -2.743 9.602 -5.558 54 HB ILE 7 HB ILE 7 -3.191 6.638 -5.827 55 1HG1 ILE 7 1HG1 ILE 7 -5.159 8.927 -5.557 56 2HG1 ILE 7 2HG1 ILE 7 -4.637 8.261 -7.091 57 1HG2 ILE 7 1HG2 ILE 7 -3.141 8.289 -3.388 58 2HG2 ILE 7 2HG2 ILE 7 -4.628 7.338 -3.617 59 3HG2 ILE 7 3HG2 ILE 7 -3.046 6.523 -3.592 60 1HD1 ILE 7 1HD1 ILE 7 -6.817 7.347 -5.768 61 2HD1 ILE 7 2HD1 ILE 7 -5.827 6.301 -6.815 62 3HD1 ILE 7 3HD1 ILE 7 -5.585 6.280 -5.052 63 H LYS 8 H LYS 8 -0.206 10.054 -5.828 64 HA LYS 8 HA LYS 8 1.369 8.195 -4.277 65 1HB LYS 8 1HB LYS 8 2.440 9.125 -6.190 66 2HB LYS 8 2HB LYS 8 1.984 10.760 -5.756 67 1HG LYS 8 1HG LYS 8 3.413 10.631 -3.716 68 2HG LYS 8 2HG LYS 8 3.848 8.981 -4.112 69 1HD LYS 8 1HD LYS 8 5.643 9.975 -5.144 70 2HD LYS 8 2HD LYS 8 4.515 10.179 -6.470 71 1HE LYS 8 1HE LYS 8 4.023 12.379 -4.736 72 2HE LYS 8 2HE LYS 8 5.767 12.219 -4.786 73 1HZ LYS 8 1HZ LYS 8 4.487 13.516 -6.610 74 2HZ LYS 8 2HZ LYS 8 5.811 12.640 -6.995 75 3HZ LYS 8 3HZ LYS 8 4.321 12.042 -7.292 76 H LYS 9 H LYS 9 1.476 8.236 -2.102 77 HA LYS 9 HA LYS 9 1.081 10.839 -0.810 78 1HB LYS 9 1HB LYS 9 -0.137 8.200 0.057 79 2HB LYS 9 2HB LYS 9 -0.191 9.689 0.978 80 1HG LYS 9 1HG LYS 9 -1.086 9.997 -1.839 81 2HG LYS 9 2HG LYS 9 -2.081 8.902 -0.901 82 1HD LYS 9 1HD LYS 9 -2.285 10.681 0.887 83 2HD LYS 9 2HD LYS 9 -1.376 11.775 -0.137 84 1HE LYS 9 1HE LYS 9 -3.100 11.813 -1.819 85 2HE LYS 9 2HE LYS 9 -3.902 10.407 -1.146 86 1HZ LYS 9 1HZ LYS 9 -4.117 13.128 -0.375 87 2HZ LYS 9 2HZ LYS 9 -5.132 11.883 -0.080 88 3HZ LYS 9 3HZ LYS 9 -3.857 12.148 0.905 89 H GLU 10 H GLU 10 2.011 10.864 1.459 90 HA GLU 10 HA GLU 10 4.083 8.881 1.807 91 1HB GLU 10 1HB GLU 10 5.099 10.772 0.500 92 2HB GLU 10 2HB GLU 10 4.674 11.874 1.795 93 1HG GLU 10 1HG GLU 10 6.094 9.522 2.834 94 2HG GLU 10 2HG GLU 10 7.035 10.329 1.595 95 H VAL 11 H VAL 11 4.553 8.466 3.993 96 HA VAL 11 HA VAL 11 3.326 10.273 5.940 97 HB VAL 11 HB VAL 11 2.494 8.300 7.177 98 1HG1 VAL 11 1HG1 VAL 11 1.159 8.049 4.529 99 2HG1 VAL 11 2HG1 VAL 11 0.473 8.382 6.137 100 3HG1 VAL 11 3HG1 VAL 11 1.264 9.686 5.220 101 1HG2 VAL 11 1HG2 VAL 11 3.033 6.729 4.638 102 2HG2 VAL 11 2HG2 VAL 11 4.057 6.654 6.091 103 3HG2 VAL 11 3HG2 VAL 11 2.360 6.125 6.171 104 H ARG 12 H ARG 12 4.273 10.042 8.124 105 HA ARG 12 HA ARG 12 6.876 8.750 7.992 106 1HB ARG 12 1HB ARG 12 7.171 11.206 7.758 107 2HB ARG 12 2HB ARG 12 6.220 11.483 9.203 108 1HG ARG 12 1HG ARG 12 8.188 9.657 10.050 109 2HG ARG 12 2HG ARG 12 9.054 10.715 8.952 110 1HD ARG 12 1HD ARG 12 8.854 12.548 10.340 111 2HD ARG 12 2HD ARG 12 7.225 12.133 10.833 112 HE ARG 12 HE ARG 12 9.230 10.278 11.881 113 1HH1 ARG 12 2HH2 ARG 12 7.600 13.349 12.425 114 2HH1 ARG 12 1HH2 ARG 12 7.884 13.343 14.134 115 1HH2 ARG 12 2HH1 ARG 12 9.606 10.269 14.135 116 2HH2 ARG 12 1HH1 ARG 12 9.033 11.579 15.113 117 H PHE 13 H PHE 13 7.123 7.268 9.641 118 HA PHE 13 HA PHE 13 5.569 7.744 12.084 119 1HB PHE 13 1HB PHE 13 6.257 5.071 10.728 120 2HB PHE 13 2HB PHE 13 5.202 5.275 12.112 121 HD1 PHE 13 1HD PHE 13 3.670 7.696 11.090 122 HD2 PHE 13 2HD PHE 13 4.755 4.039 9.232 123 HE1 PHE 13 1HE PHE 13 1.694 7.890 9.555 124 HE2 PHE 13 2HE PHE 13 2.779 4.232 7.696 125 HZ PHE 13 HZ PHE 13 1.272 6.155 7.876 126 H ASN 14 H ASN 14 6.528 6.938 14.064 127 HA ASN 14 HA ASN 14 9.383 7.002 13.896 128 1HB ASN 14 1HB ASN 14 7.364 7.628 15.870 129 2HB ASN 14 2HB ASN 14 8.420 6.417 16.571 130 1HD2 ASN 14 1HD2 ASN 14 7.950 9.491 16.701 131 2HD2 ASN 14 2HD2 ASN 14 9.547 10.160 16.737 132 H ALA 15 H ALA 15 10.570 5.096 13.717 133 HA ALA 15 HA ALA 15 10.449 2.938 15.312 134 1HB ALA 15 1HB ALA 15 9.185 1.476 13.306 135 2HB ALA 15 2HB ALA 15 8.476 1.932 14.873 136 3HB ALA 15 3HB ALA 15 8.189 2.945 13.438 137 HA PRO 16 HA PRO 16 13.700 1.888 12.659 138 1HB PRO 16 1HB PRO 16 14.012 -0.803 13.017 139 2HB PRO 16 2HB PRO 16 14.595 0.390 14.161 140 1HG PRO 16 1HG PRO 16 12.240 -1.384 14.373 141 2HG PRO 16 2HG PRO 16 13.076 -0.512 15.643 142 1HD PRO 16 1HD PRO 16 10.572 0.196 14.438 143 2HD PRO 16 2HD PRO 16 11.464 1.127 15.624 144 H ILE 17 H ILE 17 13.965 1.909 10.520 145 HA ILE 17 HA ILE 17 11.909 1.234 8.850 146 HB ILE 17 HB ILE 17 13.740 2.657 8.212 147 1HG1 ILE 17 1HG1 ILE 17 13.940 0.325 6.323 148 2HG1 ILE 17 2HG1 ILE 17 12.402 1.137 6.545 149 1HG2 ILE 17 1HG2 ILE 17 15.464 0.165 8.300 150 2HG2 ILE 17 2HG2 ILE 17 15.963 1.748 7.657 151 3HG2 ILE 17 3HG2 ILE 17 15.567 1.573 9.384 152 1HD1 ILE 17 1HD1 ILE 17 15.022 2.359 5.588 153 2HD1 ILE 17 2HD1 ILE 17 13.480 2.247 4.707 154 3HD1 ILE 17 3HD1 ILE 17 13.633 3.350 6.095 155 H GLU 18 H GLU 18 14.218 -0.845 10.493 156 HA GLU 18 HA GLU 18 14.105 -3.002 8.757 157 1HB GLU 18 1HB GLU 18 15.457 -2.408 11.073 158 2HB GLU 18 2HB GLU 18 14.318 -3.598 11.671 159 1HG GLU 18 1HG GLU 18 15.189 -4.752 9.281 160 2HG GLU 18 2HG GLU 18 16.638 -3.955 9.862 161 H LYS 19 H LYS 19 12.072 -2.071 11.596 162 HA LYS 19 HA LYS 19 10.503 -4.410 11.538 163 1HB LYS 19 1HB LYS 19 10.861 -2.321 13.274 164 2HB LYS 19 2HB LYS 19 9.281 -1.946 12.617 165 1HG LYS 19 1HG LYS 19 8.878 -4.579 13.030 166 2HG LYS 19 2HG LYS 19 10.155 -4.353 14.209 167 1HD LYS 19 1HD LYS 19 8.854 -3.017 15.582 168 2HD LYS 19 2HD LYS 19 8.000 -2.278 14.242 169 1HE LYS 19 1HE LYS 19 6.424 -3.682 15.464 170 2HE LYS 19 2HE LYS 19 6.721 -4.426 13.906 171 1HZ LYS 19 1HZ LYS 19 8.142 -5.982 14.889 172 2HZ LYS 19 2HZ LYS 19 8.231 -5.174 16.305 173 3HZ LYS 19 3HZ LYS 19 6.842 -5.917 15.875 174 H VAL 20 H VAL 20 9.950 -1.048 10.282 175 HA VAL 20 HA VAL 20 7.475 -1.575 9.147 176 HB VAL 20 HB VAL 20 9.639 0.371 8.321 177 1HG1 VAL 20 1HG1 VAL 20 7.009 -0.189 7.207 178 2HG1 VAL 20 2HG1 VAL 20 7.129 1.487 7.794 179 3HG1 VAL 20 3HG1 VAL 20 8.301 0.875 6.602 180 1HG2 VAL 20 1HG2 VAL 20 8.792 1.894 9.862 181 2HG2 VAL 20 2HG2 VAL 20 7.233 1.046 10.001 182 3HG2 VAL 20 3HG2 VAL 20 8.691 0.355 10.751 183 H TRP 21 H TRP 21 10.821 -1.931 7.840 184 HA TRP 21 HA TRP 21 10.127 -2.551 5.233 185 1HB TRP 21 1HB TRP 21 12.390 -2.022 5.976 186 2HB TRP 21 2HB TRP 21 12.466 -3.518 6.887 187 HD1 TRP 21 HD TRP 21 13.969 -5.196 5.579 188 HE1 TRP 21 1HE TRP 21 14.391 -5.960 3.089 189 HE3 TRP 21 3HE TRP 21 10.706 -1.918 3.466 190 HZ2 TRP 21 2HZ TRP 21 13.336 -5.127 0.571 191 HZ3 TRP 21 3HZ TRP 21 10.462 -1.959 0.985 192 HH2 TRP 21 HH TRP 21 11.712 -3.491 -0.451 193 H GLU 22 H GLU 22 10.789 -4.753 8.058 194 HA GLU 22 HA GLU 22 10.112 -7.064 6.710 195 1HB GLU 22 1HB GLU 22 10.835 -6.275 9.390 196 2HB GLU 22 2HB GLU 22 9.462 -7.360 9.494 197 1HG GLU 22 1HG GLU 22 11.715 -8.103 7.627 198 2HG GLU 22 2HG GLU 22 11.981 -8.287 9.350 199 H ALA 23 H ALA 23 8.138 -4.513 8.108 200 HA ALA 23 HA ALA 23 5.787 -6.085 8.426 201 1HB ALA 23 1HB ALA 23 5.315 -3.245 8.043 202 2HB ALA 23 2HB ALA 23 5.131 -4.231 9.514 203 3HB ALA 23 3HB ALA 23 6.708 -3.506 9.120 204 H VAL 24 H VAL 24 7.417 -4.422 5.773 205 HA VAL 24 HA VAL 24 5.037 -4.851 4.108 206 HB VAL 24 HB VAL 24 5.876 -3.151 2.665 207 1HG1 VAL 24 1HG1 VAL 24 5.245 -2.688 5.413 208 2HG1 VAL 24 2HG1 VAL 24 6.472 -1.498 4.918 209 3HG1 VAL 24 3HG1 VAL 24 4.948 -1.635 4.009 210 1HG2 VAL 24 1HG2 VAL 24 7.986 -1.961 3.054 211 2HG2 VAL 24 2HG2 VAL 24 8.342 -3.028 4.434 212 3HG2 VAL 24 3HG2 VAL 24 8.269 -3.698 2.787 213 H SER 25 H SER 25 7.436 -6.662 5.111 214 HA SER 25 HA SER 25 8.206 -7.497 2.425 215 1HB SER 25 1HB SER 25 10.313 -8.087 3.201 216 2HB SER 25 2HB SER 25 9.965 -6.735 4.261 217 HG SER 25 HG SER 25 8.984 -8.555 5.704 218 H THR 26 H THR 26 6.772 -8.362 5.549 219 HA THR 26 HA THR 26 6.585 -11.171 4.750 220 HB THR 26 HB THR 26 5.763 -11.379 7.155 221 HG1 THR 26 1HG THR 26 5.087 -8.989 6.989 222 1HG2 THR 26 1HG2 THR 26 8.322 -11.314 6.442 223 2HG2 THR 26 2HG2 THR 26 8.293 -9.699 7.191 224 3HG2 THR 26 3HG2 THR 26 7.897 -11.138 8.161 225 H SER 27 H SER 27 4.462 -12.290 5.082 226 HA SER 27 HA SER 27 2.515 -10.778 3.664 227 1HB SER 27 1HB SER 27 2.387 -13.604 4.808 228 2HB SER 27 2HB SER 27 1.221 -12.913 3.696 229 HG SER 27 HG SER 27 3.079 -12.592 2.184 230 H GLU 28 H GLU 28 2.836 -12.315 6.929 231 HA GLU 28 HA GLU 28 0.296 -11.651 7.800 232 1HB GLU 28 1HB GLU 28 2.571 -12.963 8.832 233 2HB GLU 28 2HB GLU 28 2.296 -11.637 9.944 234 1HG GLU 28 1HG GLU 28 -0.263 -12.826 9.276 235 2HG GLU 28 2HG GLU 28 0.841 -14.105 9.743 236 H GLY 29 H GLY 29 3.378 -9.832 7.737 237 1HA GLY 29 1HA GLY 29 2.525 -7.714 9.435 238 2HA GLY 29 2HA GLY 29 3.900 -7.724 8.348 239 H LEU 30 H LEU 30 2.506 -8.308 5.870 240 HA LEU 30 HA LEU 30 1.630 -5.673 5.267 241 1HB LEU 30 1HB LEU 30 2.394 -8.093 3.861 242 2HB LEU 30 2HB LEU 30 0.982 -7.352 3.134 243 HG LEU 30 HG LEU 30 3.072 -5.395 3.738 244 1HD1 LEU 30 1HD1 LEU 30 3.757 -7.503 1.676 245 2HD1 LEU 30 2HD1 LEU 30 4.723 -6.086 2.155 246 3HD1 LEU 30 3HD1 LEU 30 4.473 -7.423 3.304 247 1HD2 LEU 30 1HD2 LEU 30 1.942 -4.373 2.129 248 2HD2 LEU 30 2HD2 LEU 30 2.497 -5.597 0.961 249 3HD2 LEU 30 3HD2 LEU 30 0.975 -5.842 1.851 250 H ALA 31 H ALA 31 0.002 -8.921 5.304 251 HA ALA 31 HA ALA 31 -2.534 -7.988 4.709 252 1HB ALA 31 1HB ALA 31 -1.685 -10.374 4.750 253 2HB ALA 31 2HB ALA 31 -1.828 -10.325 6.523 254 3HB ALA 31 3HB ALA 31 -3.278 -10.137 5.507 255 H PHE 32 H PHE 32 -0.568 -7.497 7.523 256 HA PHE 32 HA PHE 32 -2.575 -7.340 9.467 257 1HB PHE 32 1HB PHE 32 0.205 -7.144 9.257 258 2HB PHE 32 2HB PHE 32 -0.219 -5.469 9.549 259 HD1 PHE 32 1HD PHE 32 0.614 -8.487 11.087 260 HD2 PHE 32 2HD PHE 32 -1.928 -5.123 11.566 261 HE1 PHE 32 1HE PHE 32 0.461 -8.953 13.548 262 HE2 PHE 32 2HE PHE 32 -2.081 -5.589 14.027 263 HZ PHE 32 HZ PHE 32 -0.885 -7.499 14.989 264 H TRP 33 H TRP 33 -1.549 -5.152 6.883 265 HA TRP 33 HA TRP 33 -3.502 -3.204 7.896 266 1HB TRP 33 1HB TRP 33 -2.096 -1.400 7.058 267 2HB TRP 33 2HB TRP 33 -1.312 -2.308 8.336 268 HD1 TRP 33 HD TRP 33 0.784 -3.949 7.535 269 HE1 TRP 33 1HE TRP 33 2.486 -3.837 5.521 270 HE3 TRP 33 3HE TRP 33 -1.956 -0.727 4.711 271 HZ2 TRP 33 2HZ TRP 33 2.495 -2.446 3.029 272 HZ3 TRP 33 3HZ TRP 33 -1.028 -0.043 2.501 273 HH2 TRP 33 HH TRP 33 1.116 -0.848 1.649 274 H PHE 34 H PHE 34 -1.573 -4.433 5.074 275 HA PHE 34 HA PHE 34 -3.300 -3.316 3.152 276 1HB PHE 34 1HB PHE 34 -1.010 -3.935 2.584 277 2HB PHE 34 2HB PHE 34 -1.189 -5.529 3.290 278 HD1 PHE 34 1HD PHE 34 -0.810 -7.050 1.589 279 HD2 PHE 34 2HD PHE 34 -3.334 -3.726 0.827 280 HE1 PHE 34 1HE PHE 34 -1.363 -7.989 -0.672 281 HE2 PHE 34 2HE PHE 34 -3.888 -4.664 -1.435 282 HZ PHE 34 HZ PHE 34 -2.896 -6.785 -2.157 283 H MET 35 H MET 35 -2.654 -6.834 3.148 284 HA MET 35 HA MET 35 -5.155 -7.643 4.007 285 1HB MET 35 1HB MET 35 -4.919 -6.812 1.146 286 2HB MET 35 2HB MET 35 -5.599 -8.413 1.355 287 1HG MET 35 1HG MET 35 -7.579 -7.567 2.100 288 2HG MET 35 2HG MET 35 -6.779 -6.556 3.287 289 1HE MET 35 1HE MET 35 -6.651 -7.172 -0.306 290 2HE MET 35 2HE MET 35 -7.831 -6.011 -0.960 291 3HE MET 35 3HE MET 35 -6.099 -5.600 -0.932 292 H GLU 36 H GLU 36 -5.542 -10.031 3.508 293 HA GLU 36 HA GLU 36 -3.351 -11.491 4.046 294 1HB GLU 36 1HB GLU 36 -5.910 -12.257 2.590 295 2HB GLU 36 2HB GLU 36 -4.709 -13.450 3.043 296 1HG GLU 36 1HG GLU 36 -5.111 -11.854 5.370 297 2HG GLU 36 2HG GLU 36 -6.711 -12.134 4.713 298 H ASN 37 H ASN 37 -1.762 -12.655 2.888 299 HA ASN 37 HA ASN 37 -1.896 -12.862 0.087 300 1HB ASN 37 1HB ASN 37 -0.045 -11.391 -0.526 301 2HB ASN 37 2HB ASN 37 -1.205 -10.427 0.366 302 1HD2 ASN 37 1HD2 ASN 37 -0.849 -10.095 2.657 303 2HD2 ASN 37 2HD2 ASN 37 0.763 -9.991 3.282 304 H ASP 38 H ASP 38 0.610 -13.524 -0.649 305 HA ASP 38 HA ASP 38 1.676 -15.106 1.554 306 1HB ASP 38 1HB ASP 38 0.514 -16.023 -0.904 307 2HB ASP 38 2HB ASP 38 2.238 -16.305 -1.035 308 H LEU 39 H LEU 39 2.377 -12.397 0.377 309 HA LEU 39 HA LEU 39 4.607 -12.689 -1.322 310 1HB LEU 39 1HB LEU 39 3.245 -10.671 -1.187 311 2HB LEU 39 2HB LEU 39 3.748 -10.416 0.473 312 HG LEU 39 HG LEU 39 6.043 -10.648 -1.309 313 1HD1 LEU 39 1HD1 LEU 39 5.729 -8.546 -2.525 314 2HD1 LEU 39 2HD1 LEU 39 4.511 -9.759 -2.988 315 3HD1 LEU 39 3HD1 LEU 39 4.068 -8.425 -1.896 316 1HD2 LEU 39 1HD2 LEU 39 6.722 -8.599 -0.194 317 2HD2 LEU 39 2HD2 LEU 39 5.091 -8.402 0.491 318 3HD2 LEU 39 3HD2 LEU 39 6.107 -9.776 0.992 319 H LYS 40 H LYS 40 6.880 -12.330 -0.810 320 HA LYS 40 HA LYS 40 7.608 -12.572 1.978 321 1HB LYS 40 1HB LYS 40 7.528 -14.866 0.206 322 2HB LYS 40 2HB LYS 40 9.169 -14.555 0.733 323 1HG LYS 40 1HG LYS 40 8.116 -14.290 3.130 324 2HG LYS 40 2HG LYS 40 6.718 -15.094 2.444 325 1HD LYS 40 1HD LYS 40 7.740 -17.093 2.741 326 2HD LYS 40 2HD LYS 40 8.980 -16.616 1.598 327 1HE LYS 40 1HE LYS 40 10.518 -16.236 3.247 328 2HE LYS 40 2HE LYS 40 9.371 -15.359 4.240 329 1HZ LYS 40 1HZ LYS 40 10.166 -17.512 5.147 330 2HZ LYS 40 2HZ LYS 40 8.541 -17.362 5.092 331 3HZ LYS 40 3HZ LYS 40 9.314 -18.280 3.984 332 H ALA 41 H ALA 41 7.782 -10.453 0.018 333 HA ALA 41 HA ALA 41 9.241 -9.143 -1.052 334 1HB ALA 41 1HB ALA 41 10.709 -9.997 1.464 335 2HB ALA 41 2HB ALA 41 11.338 -8.736 0.377 336 3HB ALA 41 3HB ALA 41 9.767 -8.513 1.182 337 H GLU 42 H GLU 42 9.231 -11.024 -2.742 338 HA GLU 42 HA GLU 42 12.021 -11.585 -3.241 339 1HB GLU 42 1HB GLU 42 10.290 -13.582 -2.260 340 2HB GLU 42 2HB GLU 42 10.362 -13.888 -3.984 341 1HG GLU 42 1HG GLU 42 12.746 -14.143 -3.962 342 2HG GLU 42 2HG GLU 42 12.901 -13.379 -2.392 343 H THR 43 H THR 43 12.451 -10.792 -5.250 344 HA THR 43 HA THR 43 10.425 -9.952 -6.993 345 HB THR 43 HB THR 43 13.043 -9.381 -6.672 346 HG1 THR 43 1HG THR 43 12.497 -8.131 -8.449 347 1HG2 THR 43 1HG2 THR 43 12.964 -11.190 -9.142 348 2HG2 THR 43 2HG2 THR 43 14.354 -10.243 -8.560 349 3HG2 THR 43 3HG2 THR 43 13.769 -11.636 -7.618 350 H GLY 44 H GLY 44 9.447 -10.807 -8.785 351 1HA GLY 44 1HA GLY 44 8.753 -12.378 -10.237 352 2HA GLY 44 2HA GLY 44 10.320 -13.148 -10.091 353 H HIS 45 H HIS 45 7.891 -12.516 -7.485 354 HA HIS 45 HA HIS 45 7.929 -15.383 -6.957 355 1HB HIS 45 1HB HIS 45 8.588 -13.847 -5.139 356 2HB HIS 45 2HB HIS 45 7.018 -13.072 -5.220 357 HD1 HIS 45 1HD HIS 45 7.418 -16.841 -5.428 358 HD2 HIS 45 2HD HIS 45 6.181 -13.911 -2.692 359 HE1 HIS 45 1HE HIS 45 6.356 -18.091 -3.474 360 H HIS 46 H HIS 46 5.696 -16.184 -5.979 361 HA HIS 46 HA HIS 46 3.533 -14.999 -7.544 362 1HB HIS 46 1HB HIS 46 2.753 -17.409 -7.937 363 2HB HIS 46 2HB HIS 46 4.061 -16.789 -8.925 364 HD1 HIS 46 1HD HIS 46 3.489 -19.048 -5.904 365 HD2 HIS 46 2HD HIS 46 6.415 -18.236 -8.798 366 HE1 HIS 46 1HE HIS 46 5.293 -20.830 -5.616 367 H PHE 47 H PHE 47 2.082 -14.266 -6.077 368 HA PHE 47 HA PHE 47 1.348 -16.093 -3.928 369 1HB PHE 47 1HB PHE 47 1.471 -14.146 -2.340 370 2HB PHE 47 2HB PHE 47 3.043 -14.462 -3.046 371 HD1 PHE 47 1HD PHE 47 0.757 -11.957 -2.269 372 HD2 PHE 47 2HD PHE 47 3.485 -13.102 -5.311 373 HE1 PHE 47 1HE PHE 47 0.884 -9.576 -3.051 374 HE2 PHE 47 2HE PHE 47 3.612 -10.721 -6.093 375 HZ PHE 47 HZ PHE 47 2.310 -8.986 -4.954 376 H HIS 48 H HIS 48 -0.847 -16.097 -3.486 377 HA HIS 48 HA HIS 48 -2.440 -14.430 -5.235 378 1HB HIS 48 1HB HIS 48 -2.888 -16.937 -3.656 379 2HB HIS 48 2HB HIS 48 -4.276 -15.949 -4.069 380 HD1 HIS 48 1HD HIS 48 -1.221 -17.229 -6.031 381 HD2 HIS 48 2HD HIS 48 -5.381 -16.832 -6.388 382 HE1 HIS 48 1HE HIS 48 -1.837 -18.184 -8.316 383 H LEU 49 H LEU 49 -4.607 -13.602 -4.186 384 HA LEU 49 HA LEU 49 -4.041 -12.596 -1.495 385 1HB LEU 49 1HB LEU 49 -3.536 -11.007 -3.527 386 2HB LEU 49 2HB LEU 49 -5.276 -10.798 -3.541 387 HG LEU 49 HG LEU 49 -4.917 -10.303 -0.962 388 1HD1 LEU 49 1HD1 LEU 49 -2.433 -10.869 -1.222 389 2HD1 LEU 49 2HD1 LEU 49 -2.284 -9.288 -2.026 390 3HD1 LEU 49 3HD1 LEU 49 -2.855 -9.379 -0.343 391 1HD2 LEU 49 1HD2 LEU 49 -5.950 -8.672 -2.269 392 2HD2 LEU 49 2HD2 LEU 49 -4.503 -7.851 -1.635 393 3HD2 LEU 49 3HD2 LEU 49 -4.522 -8.457 -3.309 394 H GLN 50 H GLN 50 -5.800 -12.595 -0.123 395 HA GLN 50 HA GLN 50 -8.214 -13.687 -1.319 396 1HB GLN 50 1HB GLN 50 -7.183 -13.706 1.549 397 2HB GLN 50 2HB GLN 50 -8.774 -14.285 1.099 398 1HG GLN 50 1HG GLN 50 -6.750 -15.438 -0.667 399 2HG GLN 50 2HG GLN 50 -6.324 -15.730 1.007 400 1HE2 GLN 50 1HE2 GLN 50 -9.034 -15.868 -1.277 401 2HE2 GLN 50 2HE2 GLN 50 -9.821 -17.260 -0.612 402 H SER 51 H SER 51 -8.792 -11.493 -2.137 403 HA SER 51 HA SER 51 -9.374 -9.554 -0.103 404 1HB SER 51 1HB SER 51 -9.477 -8.010 -1.819 405 2HB SER 51 2HB SER 51 -8.478 -9.220 -2.600 406 HG SER 51 HG SER 51 -11.307 -8.757 -2.937 407 HA PRO 52 HA PRO 52 -13.649 -10.358 0.063 408 1HB PRO 52 1HB PRO 52 -14.809 -7.891 0.255 409 2HB PRO 52 2HB PRO 52 -14.034 -8.694 1.607 410 1HG PRO 52 1HG PRO 52 -13.045 -6.433 -0.021 411 2HG PRO 52 2HG PRO 52 -12.508 -6.965 1.560 412 1HD PRO 52 1HD PRO 52 -11.179 -7.409 -0.943 413 2HD PRO 52 2HD PRO 52 -10.704 -8.038 0.622 414 H PHE 53 H PHE 53 -12.940 -7.867 -2.308 415 HA PHE 53 HA PHE 53 -15.319 -8.540 -3.771 416 1HB PHE 53 1HB PHE 53 -13.719 -6.311 -3.452 417 2HB PHE 53 2HB PHE 53 -13.005 -6.960 -4.914 418 HD1 PHE 53 1HD PHE 53 -15.280 -4.665 -3.795 419 HD2 PHE 53 2HD PHE 53 -14.969 -7.781 -6.659 420 HE1 PHE 53 1HE PHE 53 -17.096 -3.594 -5.158 421 HE2 PHE 53 2HE PHE 53 -16.785 -6.710 -8.022 422 HZ PHE 53 HZ PHE 53 -17.827 -4.629 -7.255 423 H GLY 54 H GLY 54 -13.922 -10.898 -3.500 424 1HA GLY 54 1HA GLY 54 -13.460 -12.622 -4.927 425 2HA GLY 54 2HA GLY 54 -13.292 -11.498 -6.261 426 HA PRO 55 HA PRO 55 -9.166 -12.525 -4.204 427 1HB PRO 55 1HB PRO 55 -8.573 -15.114 -4.847 428 2HB PRO 55 2HB PRO 55 -9.205 -14.636 -3.284 429 1HG PRO 55 1HG PRO 55 -10.599 -15.992 -5.511 430 2HG PRO 55 2HG PRO 55 -11.065 -15.888 -3.825 431 1HD PRO 55 1HD PRO 55 -12.177 -14.396 -6.008 432 2HD PRO 55 2HD PRO 55 -12.560 -14.210 -4.308 433 H SER 56 H SER 56 -7.196 -12.158 -5.197 434 HA SER 56 HA SER 56 -7.220 -12.751 -8.030 435 1HB SER 56 1HB SER 56 -7.694 -10.147 -7.010 436 2HB SER 56 2HB SER 56 -6.026 -10.127 -7.547 437 HG SER 56 HG SER 56 -8.400 -10.345 -9.046 438 HA PRO 57 HA PRO 57 -3.089 -13.739 -7.063 439 1HB PRO 57 1HB PRO 57 -2.007 -13.911 -9.566 440 2HB PRO 57 2HB PRO 57 -2.946 -15.199 -8.838 441 1HG PRO 57 1HG PRO 57 -3.740 -13.296 -10.956 442 2HG PRO 57 2HG PRO 57 -4.479 -14.824 -10.519 443 1HD PRO 57 1HD PRO 57 -5.447 -12.203 -9.872 444 2HD PRO 57 2HD PRO 57 -6.120 -13.730 -9.339 445 H CYS 58 H CYS 58 -0.747 -13.111 -7.306 446 HA CYS 58 HA CYS 58 -0.490 -10.379 -8.200 447 1HB CYS 58 1HB CYS 58 0.102 -11.119 -5.314 448 2HB CYS 58 2HB CYS 58 0.469 -9.583 -6.075 449 HG CYS 58 HG CYS 58 -1.558 -8.751 -5.071 450 H GLN 59 H GLN 59 1.863 -9.781 -8.336 451 HA GLN 59 HA GLN 59 3.707 -11.922 -7.870 452 1HB GLN 59 1HB GLN 59 2.928 -12.559 -10.084 453 2HB GLN 59 2HB GLN 59 3.088 -10.918 -10.678 454 1HG GLN 59 1HG GLN 59 5.390 -11.063 -10.898 455 2HG GLN 59 2HG GLN 59 5.570 -12.107 -9.502 456 1HE2 GLN 59 1HE2 GLN 59 4.416 -11.984 -12.842 457 2HE2 GLN 59 2HE2 GLN 59 4.723 -13.638 -13.254 458 H VAL 60 H VAL 60 5.475 -10.972 -6.960 459 HA VAL 60 HA VAL 60 5.761 -8.194 -6.870 460 HB VAL 60 HB VAL 60 7.864 -10.308 -6.380 461 1HG1 VAL 60 1HG1 VAL 60 7.522 -7.667 -4.947 462 2HG1 VAL 60 2HG1 VAL 60 8.939 -8.744 -4.979 463 3HG1 VAL 60 3HG1 VAL 60 8.490 -7.820 -6.433 464 1HG2 VAL 60 1HG2 VAL 60 6.719 -9.601 -3.929 465 2HG2 VAL 60 2HG2 VAL 60 5.334 -9.829 -5.024 466 3HG2 VAL 60 3HG2 VAL 60 6.518 -11.139 -4.801 467 H THR 61 H THR 61 7.200 -6.759 -7.925 468 HA THR 61 HA THR 61 8.303 -7.849 -10.431 469 HB THR 61 HB THR 61 7.807 -5.623 -11.381 470 HG1 THR 61 1HG THR 61 6.744 -4.111 -9.817 471 1HG2 THR 61 1HG2 THR 61 5.682 -7.219 -10.055 472 2HG2 THR 61 2HG2 THR 61 5.244 -5.509 -10.282 473 3HG2 THR 61 3HG2 THR 61 5.703 -6.504 -11.685 474 H ASP 62 H ASP 62 8.877 -5.923 -7.503 475 HA ASP 62 HA ASP 62 11.672 -6.238 -7.981 476 1HB ASP 62 1HB ASP 62 10.328 -3.735 -8.580 477 2HB ASP 62 2HB ASP 62 11.376 -3.488 -7.197 478 H VAL 63 H VAL 63 12.761 -6.327 -5.946 479 HA VAL 63 HA VAL 63 11.712 -5.071 -3.634 480 HB VAL 63 HB VAL 63 10.075 -6.847 -3.784 481 1HG1 VAL 63 1HG1 VAL 63 10.606 -9.176 -3.824 482 2HG1 VAL 63 2HG1 VAL 63 11.550 -8.406 -5.122 483 3HG1 VAL 63 3HG1 VAL 63 12.340 -8.853 -3.591 484 1HG2 VAL 63 1HG2 VAL 63 11.753 -7.939 -1.597 485 2HG2 VAL 63 2HG2 VAL 63 11.489 -6.179 -1.566 486 3HG2 VAL 63 3HG2 VAL 63 10.097 -7.288 -1.563 487 H GLU 64 H GLU 64 13.661 -4.322 -2.951 488 HA GLU 64 HA GLU 64 15.604 -6.286 -2.229 489 1HB GLU 64 1HB GLU 64 16.243 -5.870 -4.571 490 2HB GLU 64 2HB GLU 64 16.263 -4.140 -4.293 491 1HG GLU 64 1HG GLU 64 18.559 -4.985 -4.200 492 2HG GLU 64 2HG GLU 64 18.091 -4.437 -2.602 493 H ARG 65 H ARG 65 15.743 -5.693 -0.094 494 HA ARG 65 HA ARG 65 16.086 -4.507 1.678 495 1HB ARG 65 1HB ARG 65 17.865 -3.349 -0.311 496 2HB ARG 65 2HB ARG 65 17.318 -2.075 0.761 497 1HG ARG 65 1HG ARG 65 18.991 -2.799 2.142 498 2HG ARG 65 2HG ARG 65 17.862 -4.063 2.589 499 1HD ARG 65 1HD ARG 65 19.424 -5.552 1.861 500 2HD ARG 65 2HD ARG 65 19.006 -5.061 0.232 501 HE ARG 65 HE ARG 65 20.819 -3.119 1.074 502 1HH1 ARG 65 2HH2 ARG 65 20.875 -6.628 0.819 503 2HH1 ARG 65 1HH2 ARG 65 22.583 -6.709 0.546 504 1HH2 ARG 65 2HH1 ARG 65 23.073 -3.225 0.713 505 2HH2 ARG 65 1HH1 ARG 65 23.842 -4.760 0.485 506 HA PRO 66 HA PRO 66 13.098 -1.342 2.004 507 1HB PRO 66 1HB PRO 66 13.960 0.256 4.047 508 2HB PRO 66 2HB PRO 66 13.188 -1.295 4.305 509 1HG PRO 66 1HG PRO 66 16.046 -0.583 4.556 510 2HG PRO 66 2HG PRO 66 15.200 -1.975 5.204 511 1HD PRO 66 1HD PRO 66 16.925 -1.929 2.913 512 2HD PRO 66 2HD PRO 66 15.988 -3.292 3.492 513 H ILE 67 H ILE 67 13.828 -0.731 -0.253 514 HA ILE 67 HA ILE 67 14.299 2.135 -0.114 515 HB ILE 67 HB ILE 67 15.959 1.878 -2.016 516 1HG1 ILE 67 1HG1 ILE 67 17.232 -0.470 -1.446 517 2HG1 ILE 67 2HG1 ILE 67 15.557 -0.959 -1.282 518 1HG2 ILE 67 1HG2 ILE 67 17.213 0.752 0.433 519 2HG2 ILE 67 2HG2 ILE 67 17.657 2.171 -0.544 520 3HG2 ILE 67 3HG2 ILE 67 16.306 2.273 0.609 521 1HD1 ILE 67 1HD1 ILE 67 17.024 0.025 -3.712 522 2HD1 ILE 67 2HD1 ILE 67 15.808 -1.267 -3.566 523 3HD1 ILE 67 3HD1 ILE 67 15.298 0.439 -3.570 524 H LYS 68 H LYS 68 13.638 -0.793 -2.132 525 HA LYS 68 HA LYS 68 11.543 0.767 -3.441 526 1HB LYS 68 1HB LYS 68 13.410 0.916 -4.962 527 2HB LYS 68 2HB LYS 68 13.709 -0.807 -4.857 528 1HG LYS 68 1HG LYS 68 11.774 -1.362 -6.102 529 2HG LYS 68 2HG LYS 68 10.976 0.154 -5.734 530 1HD LYS 68 1HD LYS 68 13.181 1.096 -7.068 531 2HD LYS 68 2HD LYS 68 13.000 -0.462 -7.849 532 1HE LYS 68 1HE LYS 68 10.930 0.081 -8.787 533 2HE LYS 68 2HE LYS 68 10.502 1.177 -7.488 534 1HZ LYS 68 1HZ LYS 68 12.544 1.714 -9.533 535 2HZ LYS 68 2HZ LYS 68 11.037 2.342 -9.515 536 3HZ LYS 68 3HZ LYS 68 12.101 2.739 -8.341 537 H LEU 69 H LEU 69 9.675 -0.411 -3.906 538 HA LEU 69 HA LEU 69 9.716 -3.266 -3.741 539 1HB LEU 69 1HB LEU 69 9.769 -2.477 -1.342 540 2HB LEU 69 2HB LEU 69 8.181 -1.785 -1.609 541 HG LEU 69 HG LEU 69 7.480 -4.170 -2.340 542 1HD1 LEU 69 1HD1 LEU 69 9.074 -5.714 -2.397 543 2HD1 LEU 69 2HD1 LEU 69 10.247 -4.616 -1.630 544 3HD1 LEU 69 3HD1 LEU 69 9.165 -5.607 -0.622 545 1HD2 LEU 69 1HD2 LEU 69 7.372 -2.788 0.061 546 2HD2 LEU 69 2HD2 LEU 69 6.446 -4.246 -0.370 547 3HD2 LEU 69 3HD2 LEU 69 7.979 -4.397 0.522 548 H SER 70 H SER 70 8.191 -4.032 -5.122 549 HA SER 70 HA SER 70 5.844 -2.401 -5.535 550 1HB SER 70 1HB SER 70 7.571 -1.743 -7.269 551 2HB SER 70 2HB SER 70 7.553 -3.393 -7.858 552 HG SER 70 HG SER 70 6.067 -1.630 -8.866 553 H PHE 71 H PHE 71 4.032 -3.641 -6.447 554 HA PHE 71 HA PHE 71 4.448 -6.435 -6.961 555 1HB PHE 71 1HB PHE 71 3.238 -7.216 -5.031 556 2HB PHE 71 2HB PHE 71 4.267 -5.961 -4.370 557 HD1 PHE 71 1HD PHE 71 0.829 -6.820 -5.326 558 HD2 PHE 71 2HD PHE 71 3.337 -3.899 -3.540 559 HE1 PHE 71 1HE PHE 71 -1.192 -5.641 -4.417 560 HE2 PHE 71 2HE PHE 71 1.316 -2.720 -2.631 561 HZ PHE 71 HZ PHE 71 -0.924 -3.605 -3.080 562 H THR 72 H THR 72 2.794 -7.297 -8.234 563 HA THR 72 HA THR 72 0.858 -5.352 -9.182 564 HB THR 72 HB THR 72 0.471 -7.217 -10.887 565 HG1 THR 72 1HG THR 72 2.138 -8.955 -10.623 566 1HG2 THR 72 1HG2 THR 72 3.458 -6.707 -10.508 567 2HG2 THR 72 2HG2 THR 72 2.578 -6.966 -12.033 568 3HG2 THR 72 3HG2 THR 72 2.366 -5.447 -11.130 569 H TRP 73 H TRP 73 -1.434 -5.883 -9.436 570 HA TRP 73 HA TRP 73 -2.428 -7.972 -7.698 571 1HB TRP 73 1HB TRP 73 -2.059 -6.084 -6.163 572 2HB TRP 73 2HB TRP 73 -3.078 -5.068 -7.163 573 HD1 TRP 73 HD TRP 73 -4.243 -8.669 -6.540 574 HE1 TRP 73 1HE TRP 73 -6.388 -8.740 -5.004 575 HE3 TRP 73 3HE TRP 73 -4.174 -3.734 -5.315 576 HZ2 TRP 73 2HZ TRP 73 -7.783 -6.769 -3.483 577 HZ3 TRP 73 3HZ TRP 73 -5.963 -2.888 -3.800 578 HH2 TRP 73 HH TRP 73 -7.725 -4.318 -2.892 579 H ASP 74 H ASP 74 -4.376 -8.757 -8.517 580 HA ASP 74 HA ASP 74 -6.029 -9.042 -9.888 581 1HB ASP 74 1HB ASP 74 -5.952 -6.003 -9.902 582 2HB ASP 74 2HB ASP 74 -7.113 -6.866 -10.891 583 H THR 75 H THR 75 -6.803 -8.450 -12.347 584 HA THR 75 HA THR 75 -4.353 -8.047 -13.935 585 HB THR 75 HB THR 75 -5.336 -9.732 -15.500 586 HG1 THR 75 1HG THR 75 -7.271 -10.057 -13.330 587 1HG2 THR 75 1HG2 THR 75 -5.402 -10.709 -12.596 588 2HG2 THR 75 2HG2 THR 75 -5.278 -11.745 -14.038 589 3HG2 THR 75 3HG2 THR 75 -3.945 -10.645 -13.616 590 H ASP 76 H ASP 76 -5.948 -5.874 -13.069 591 HA ASP 76 HA ASP 76 -7.482 -5.289 -15.465 592 1HB ASP 76 1HB ASP 76 -8.230 -4.976 -12.889 593 2HB ASP 76 2HB ASP 76 -7.395 -3.447 -13.079 594 H GLY 77 H GLY 77 -4.639 -4.470 -13.506 595 1HA GLY 77 1HA GLY 77 -2.800 -3.450 -14.722 596 2HA GLY 77 2HA GLY 77 -3.948 -2.333 -15.433 597 H TRP 78 H TRP 78 -3.870 -3.471 -12.008 598 HA TRP 78 HA TRP 78 -3.406 -0.672 -11.237 599 1HB TRP 78 1HB TRP 78 -5.065 -2.866 -10.032 600 2HB TRP 78 2HB TRP 78 -4.457 -1.562 -9.031 601 HD1 TRP 78 HD TRP 78 -5.661 -0.844 -12.631 602 HE1 TRP 78 1HE TRP 78 -7.813 0.683 -12.629 603 HE3 TRP 78 3HE TRP 78 -6.383 -0.966 -7.599 604 HZ2 TRP 78 2HZ TRP 78 -9.537 1.647 -10.569 605 HZ3 TRP 78 3HZ TRP 78 -8.324 0.295 -6.674 606 HH2 TRP 78 HH TRP 78 -9.872 1.570 -8.071 607 H SER 79 H SER 79 -1.313 -0.364 -10.607 608 HA SER 79 HA SER 79 -0.114 -2.534 -9.076 609 1HB SER 79 1HB SER 79 1.699 -0.795 -10.702 610 2HB SER 79 2HB SER 79 1.846 -2.496 -10.304 611 HG SER 79 HG SER 79 -0.010 -2.842 -11.830 612 H VAL 80 H VAL 80 1.121 -1.878 -7.252 613 HA VAL 80 HA VAL 80 1.227 1.024 -6.811 614 HB VAL 80 HB VAL 80 -0.572 0.290 -5.493 615 1HG1 VAL 80 1HG1 VAL 80 -0.028 -1.667 -3.771 616 2HG1 VAL 80 2HG1 VAL 80 -0.634 -2.001 -5.411 617 3HG1 VAL 80 3HG1 VAL 80 1.104 -2.150 -5.057 618 1HG2 VAL 80 1HG2 VAL 80 1.890 1.109 -4.259 619 2HG2 VAL 80 2HG2 VAL 80 0.216 1.485 -3.785 620 3HG2 VAL 80 3HG2 VAL 80 1.014 0.026 -3.150 621 H THR 81 H THR 81 3.161 1.810 -6.007 622 HA THR 81 HA THR 81 5.196 -0.229 -5.386 623 HB THR 81 HB THR 81 5.700 2.440 -6.781 624 HG1 THR 81 1HG THR 81 4.258 1.130 -8.078 625 1HG2 THR 81 1HG2 THR 81 7.829 1.608 -6.306 626 2HG2 THR 81 2HG2 THR 81 7.250 -0.070 -6.175 627 3HG2 THR 81 3HG2 THR 81 7.499 0.663 -7.778 628 H PHE 82 H PHE 82 6.345 0.009 -3.539 629 HA PHE 82 HA PHE 82 5.650 2.375 -1.959 630 1HB PHE 82 1HB PHE 82 6.828 -0.372 -1.219 631 2HB PHE 82 2HB PHE 82 6.340 0.849 -0.059 632 HD1 PHE 82 1HD PHE 82 5.371 -2.125 -1.487 633 HD2 PHE 82 2HD PHE 82 3.784 1.690 -0.521 634 HE1 PHE 82 1HE PHE 82 3.058 -3.100 -1.433 635 HE2 PHE 82 2HE PHE 82 1.472 0.715 -0.468 636 HZ PHE 82 HZ PHE 82 1.136 -1.668 -0.925 637 H HIS 83 H HIS 83 7.267 3.635 -0.962 638 HA HIS 83 HA HIS 83 10.003 2.914 -1.714 639 1HB HIS 83 1HB HIS 83 8.472 5.387 -2.281 640 2HB HIS 83 2HB HIS 83 10.097 5.635 -1.673 641 HD1 HIS 83 1HD HIS 83 11.998 4.082 -3.073 642 HD2 HIS 83 2HD HIS 83 8.394 5.054 -4.987 643 HE1 HIS 83 1HE HIS 83 12.414 3.787 -5.573 644 H LEU 84 H LEU 84 11.203 2.564 0.080 645 HA LEU 84 HA LEU 84 10.392 4.008 2.505 646 1HB LEU 84 1HB LEU 84 11.538 1.264 2.066 647 2HB LEU 84 2HB LEU 84 11.692 2.075 3.612 648 HG LEU 84 HG LEU 84 8.996 2.337 3.093 649 1HD1 LEU 84 1HD1 LEU 84 8.099 0.345 2.238 650 2HD1 LEU 84 2HD1 LEU 84 9.407 0.776 1.111 651 3HD1 LEU 84 3HD1 LEU 84 9.662 -0.503 2.322 652 1HD2 LEU 84 1HD2 LEU 84 9.716 1.803 5.253 653 2HD2 LEU 84 2HD2 LEU 84 8.806 0.367 4.727 654 3HD2 LEU 84 3HD2 LEU 84 10.585 0.348 4.709 655 H LYS 85 H LYS 85 12.118 4.781 3.920 656 HA LYS 85 HA LYS 85 14.809 4.677 3.143 657 1HB LYS 85 1HB LYS 85 15.129 6.999 2.392 658 2HB LYS 85 2HB LYS 85 14.162 6.063 1.269 659 1HG LYS 85 1HG LYS 85 12.082 7.016 2.479 660 2HG LYS 85 2HG LYS 85 13.173 8.126 3.284 661 1HD LYS 85 1HD LYS 85 13.743 8.113 0.427 662 2HD LYS 85 2HD LYS 85 12.030 8.386 0.677 663 1HE LYS 85 1HE LYS 85 12.360 10.453 1.628 664 2HE LYS 85 2HE LYS 85 13.763 9.927 2.536 665 1HZ LYS 85 1HZ LYS 85 14.817 11.154 1.023 666 2HZ LYS 85 2HZ LYS 85 14.695 9.837 0.065 667 3HZ LYS 85 3HZ LYS 85 13.628 11.063 -0.093 668 H GLU 86 H GLU 86 15.698 4.633 5.130 669 HA GLU 86 HA GLU 86 14.357 5.526 7.370 670 1HB GLU 86 1HB GLU 86 16.418 3.881 7.025 671 2HB GLU 86 2HB GLU 86 17.371 5.322 7.323 672 1HG GLU 86 1HG GLU 86 15.183 5.096 9.266 673 2HG GLU 86 2HG GLU 86 16.170 3.647 9.265 674 H GLU 87 H GLU 87 14.342 7.457 8.528 675 HA GLU 87 HA GLU 87 15.795 9.624 7.236 676 1HB GLU 87 1HB GLU 87 13.080 9.371 7.995 677 2HB GLU 87 2HB GLU 87 13.771 10.473 9.169 678 1HG GLU 87 1HG GLU 87 14.726 11.085 6.460 679 2HG GLU 87 2HG GLU 87 12.975 11.093 6.525 680 H GLU 88 H GLU 88 15.843 11.561 9.202 681 HA GLU 88 HA GLU 88 18.029 11.058 10.611 682 1HB GLU 88 1HB GLU 88 15.672 12.862 11.077 683 2HB GLU 88 2HB GLU 88 16.841 12.724 12.375 684 1HG GLU 88 1HG GLU 88 18.212 13.020 9.809 685 2HG GLU 88 2HG GLU 88 17.057 14.318 10.031 686 H ASN 89 H ASN 89 14.830 11.085 12.340 687 HA ASN 89 HA ASN 89 15.811 8.771 13.814 688 1HB ASN 89 1HB ASN 89 14.610 11.366 14.802 689 2HB ASN 89 2HB ASN 89 14.217 9.904 15.685 690 1HD2 ASN 89 1HD2 ASN 89 15.962 8.566 16.466 691 2HD2 ASN 89 2HD2 ASN 89 17.470 9.277 16.936 692 H GLY 90 H GLY 90 14.375 8.036 11.736 693 1HA GLY 90 1HA GLY 90 12.053 6.854 12.630 694 2HA GLY 90 2HA GLY 90 11.551 8.378 11.925 695 H THR 91 H THR 91 10.491 6.419 10.562 696 HA THR 91 HA THR 91 12.305 5.945 8.287 697 HB THR 91 HB THR 91 10.048 4.226 9.444 698 HG1 THR 91 1HG THR 91 12.333 4.425 10.409 699 1HG2 THR 91 1HG2 THR 91 11.125 4.291 6.772 700 2HG2 THR 91 2HG2 THR 91 11.824 2.875 7.595 701 3HG2 THR 91 3HG2 THR 91 10.056 3.057 7.483 702 H ILE 92 H ILE 92 11.539 6.275 6.195 703 HA ILE 92 HA ILE 92 9.088 7.882 6.136 704 HB ILE 92 HB ILE 92 11.518 7.818 4.350 705 1HG1 ILE 92 1HG1 ILE 92 12.006 9.062 6.292 706 2HG1 ILE 92 2HG1 ILE 92 11.616 10.245 5.060 707 1HG2 ILE 92 1HG2 ILE 92 10.186 9.889 3.361 708 2HG2 ILE 92 2HG2 ILE 92 9.961 8.237 2.739 709 3HG2 ILE 92 3HG2 ILE 92 8.786 8.924 3.886 710 1HD1 ILE 92 1HD1 ILE 92 9.132 9.933 6.056 711 2HD1 ILE 92 2HD1 ILE 92 10.054 9.452 7.501 712 3HD1 ILE 92 3HD1 ILE 92 10.300 11.062 6.784 713 H PHE 93 H PHE 93 7.366 7.315 4.825 714 HA PHE 93 HA PHE 93 7.752 4.909 3.198 715 1HB PHE 93 1HB PHE 93 6.612 4.614 5.533 716 2HB PHE 93 2HB PHE 93 5.316 5.628 4.930 717 HD1 PHE 93 1HD PHE 93 4.092 4.832 2.808 718 HD2 PHE 93 2HD PHE 93 6.581 2.311 5.145 719 HE1 PHE 93 1HE PHE 93 2.971 2.813 1.825 720 HE2 PHE 93 2HE PHE 93 5.459 0.292 4.162 721 HZ PHE 93 HZ PHE 93 3.668 0.567 2.513 722 H THR 94 H THR 94 7.148 5.248 1.115 723 HA THR 94 HA THR 94 5.094 7.307 0.642 724 HB THR 94 HB THR 94 7.626 6.688 -0.971 725 HG1 THR 94 1HG THR 94 7.671 7.890 1.187 726 1HG2 THR 94 1HG2 THR 94 5.463 7.625 -2.181 727 2HG2 THR 94 2HG2 THR 94 5.814 9.111 -1.266 728 3HG2 THR 94 3HG2 THR 94 7.011 8.470 -2.418 729 H ILE 95 H ILE 95 3.330 6.670 -0.437 730 HA ILE 95 HA ILE 95 3.494 4.028 -1.704 731 HB ILE 95 HB ILE 95 1.964 3.772 -0.029 732 1HG1 ILE 95 1HG1 ILE 95 1.031 3.519 -2.485 733 2HG1 ILE 95 2HG1 ILE 95 0.004 3.274 -1.086 734 1HG2 ILE 95 1HG2 ILE 95 1.157 6.644 -0.502 735 2HG2 ILE 95 2HG2 ILE 95 0.218 5.532 0.522 736 3HG2 ILE 95 3HG2 ILE 95 1.903 5.920 0.943 737 1HD1 ILE 95 1HD1 ILE 95 -1.049 4.745 -2.828 738 2HD1 ILE 95 2HD1 ILE 95 -0.876 5.560 -1.255 739 3HD1 ILE 95 3HD1 ILE 95 0.258 5.926 -2.577 740 H VAL 96 H VAL 96 2.589 3.726 -3.795 741 HA VAL 96 HA VAL 96 1.732 6.164 -5.153 742 HB VAL 96 HB VAL 96 3.970 4.336 -6.042 743 1HG1 VAL 96 1HG1 VAL 96 3.169 6.748 -7.620 744 2HG1 VAL 96 2HG1 VAL 96 3.925 5.227 -8.154 745 3HG1 VAL 96 3HG1 VAL 96 2.185 5.273 -7.779 746 1HG2 VAL 96 1HG2 VAL 96 4.676 6.006 -4.409 747 2HG2 VAL 96 2HG2 VAL 96 5.321 6.405 -6.020 748 3HG2 VAL 96 3HG2 VAL 96 3.923 7.298 -5.374 749 H HIS 97 H HIS 97 -0.053 5.803 -6.392 750 HA HIS 97 HA HIS 97 -0.542 3.038 -7.200 751 1HB HIS 97 1HB HIS 97 -1.840 4.018 -5.086 752 2HB HIS 97 2HB HIS 97 -2.856 4.720 -6.329 753 HD1 HIS 97 1HD HIS 97 -4.727 3.068 -5.278 754 HD2 HIS 97 2HD HIS 97 -1.570 1.228 -7.338 755 HE1 HIS 97 1HE HIS 97 -5.494 0.687 -5.783 756 H SER 98 H SER 98 -1.120 2.832 -9.327 757 HA SER 98 HA SER 98 -2.124 5.221 -10.630 758 1HB SER 98 1HB SER 98 0.089 3.478 -11.799 759 2HB SER 98 2HB SER 98 -0.608 4.905 -12.541 760 HG SER 98 HG SER 98 0.439 6.230 -11.122 761 H GLY 99 H GLY 99 -2.833 4.532 -13.033 762 1HA GLY 99 1HA GLY 99 -3.652 2.809 -14.421 763 2HA GLY 99 2HA GLY 99 -3.855 1.771 -13.024 764 H TRP 100 H TRP 100 -4.913 5.119 -14.002 765 HA TRP 100 HA TRP 100 -7.659 4.277 -13.420 766 1HB TRP 100 1HB TRP 100 -6.503 6.917 -12.519 767 2HB TRP 100 2HB TRP 100 -8.123 6.310 -12.236 768 HD1 TRP 100 HD TRP 100 -4.471 5.528 -11.143 769 HE1 TRP 100 1HE TRP 100 -4.435 4.349 -8.783 770 HE3 TRP 100 3HE TRP 100 -9.517 5.080 -10.705 771 HZ2 TRP 100 2HZ TRP 100 -6.475 3.382 -7.037 772 HZ3 TRP 100 3HZ TRP 100 -10.413 4.007 -8.641 773 HH2 TRP 100 HH TRP 100 -8.981 3.173 -6.845 774 H LYS 101 H LYS 101 -9.146 6.257 -14.287 775 HA LYS 101 HA LYS 101 -7.953 7.179 -16.805 776 1HB LYS 101 1HB LYS 101 -10.775 6.115 -16.507 777 2HB LYS 101 2HB LYS 101 -10.003 6.663 -17.981 778 1HG LYS 101 1HG LYS 101 -8.286 4.843 -17.743 779 2HG LYS 101 2HG LYS 101 -9.093 4.285 -16.291 780 1HD LYS 101 1HD LYS 101 -10.883 3.374 -17.455 781 2HD LYS 101 2HD LYS 101 -10.831 4.593 -18.713 782 1HE LYS 101 1HE LYS 101 -8.378 2.995 -18.747 783 2HE LYS 101 2HE LYS 101 -9.785 1.954 -18.840 784 1HZ LYS 101 1HZ LYS 101 -10.346 4.018 -20.508 785 2HZ LYS 101 2HZ LYS 101 -8.763 3.726 -20.781 786 3HZ LYS 101 3HZ LYS 101 -9.856 2.525 -20.955 787 H GLN 102 H GLN 102 -10.299 8.606 -17.655 788 HA GLN 102 HA GLN 102 -9.872 10.983 -16.374 789 1HB GLN 102 1HB GLN 102 -11.977 9.906 -18.228 790 2HB GLN 102 2HB GLN 102 -12.317 11.430 -17.432 791 1HG GLN 102 1HG GLN 102 -9.995 12.224 -18.228 792 2HG GLN 102 2HG GLN 102 -9.931 10.778 -19.215 793 1HE2 GLN 102 1HE2 GLN 102 -11.327 13.896 -18.745 794 2HE2 GLN 102 2HE2 GLN 102 -12.217 14.017 -20.226 795 H GLY 103 H GLY 103 -11.791 12.329 -15.317 796 1HA GLY 103 1HA GLY 103 -12.476 10.956 -12.890 797 2HA GLY 103 2HA GLY 103 -12.824 12.620 -13.318 798 H ASP 104 H ASP 104 -14.261 12.307 -15.745 799 HA ASP 104 HA ASP 104 -16.782 11.894 -14.805 800 1HB ASP 104 1HB ASP 104 -15.873 12.970 -17.031 801 2HB ASP 104 2HB ASP 104 -16.024 11.357 -17.699 802 H THR 105 H THR 105 -14.752 9.746 -16.947 803 HA THR 105 HA THR 105 -16.364 7.631 -17.316 804 HB THR 105 HB THR 105 -14.091 6.313 -17.089 805 HG1 THR 105 1HG THR 105 -13.063 7.810 -15.652 806 1HG2 THR 105 1HG2 THR 105 -14.761 8.597 -18.925 807 2HG2 THR 105 2HG2 THR 105 -13.058 8.080 -18.897 808 3HG2 THR 105 3HG2 THR 105 -14.334 6.916 -19.325 809 H LYS 106 H LYS 106 -17.005 5.732 -16.279 810 HA LYS 106 HA LYS 106 -16.842 5.944 -13.362 811 1HB LYS 106 1HB LYS 106 -19.097 6.031 -14.422 812 2HB LYS 106 2HB LYS 106 -18.835 4.425 -15.070 813 1HG LYS 106 1HG LYS 106 -18.874 3.404 -12.936 814 2HG LYS 106 2HG LYS 106 -18.452 4.887 -12.103 815 1HD LYS 106 1HD LYS 106 -20.668 5.135 -11.666 816 2HD LYS 106 2HD LYS 106 -20.863 5.555 -13.356 817 1HE LYS 106 1HE LYS 106 -21.873 3.562 -13.863 818 2HE LYS 106 2HE LYS 106 -20.725 2.631 -12.921 819 1HZ LYS 106 1HZ LYS 106 -22.661 4.272 -11.508 820 2HZ LYS 106 2HZ LYS 106 -23.163 2.862 -12.161 821 3HZ LYS 106 3HZ LYS 106 -21.966 2.867 -11.050 822 H VAL 107 H VAL 107 -16.611 3.885 -12.134 823 HA VAL 107 HA VAL 107 -14.697 2.181 -13.531 824 HB VAL 107 HB VAL 107 -15.348 2.556 -10.601 825 1HG1 VAL 107 1HG1 VAL 107 -13.607 1.059 -10.054 826 2HG1 VAL 107 2HG1 VAL 107 -14.536 0.236 -11.329 827 3HG1 VAL 107 3HG1 VAL 107 -12.991 1.028 -11.724 828 1HG2 VAL 107 1HG2 VAL 107 -14.205 4.470 -11.748 829 2HG2 VAL 107 2HG2 VAL 107 -13.252 3.729 -10.440 830 3HG2 VAL 107 3HG2 VAL 107 -12.862 3.370 -12.139 831 H GLU 108 H GLU 108 -15.602 0.466 -14.556 832 HA GLU 108 HA GLU 108 -18.109 -0.527 -13.752 833 1HB GLU 108 1HB GLU 108 -17.217 -0.546 -16.110 834 2HB GLU 108 2HB GLU 108 -16.061 -1.775 -15.637 835 1HG GLU 108 1HG GLU 108 -17.851 -3.349 -15.082 836 2HG GLU 108 2HG GLU 108 -19.074 -2.111 -15.287 837 H LYS 109 H LYS 109 -17.058 -0.725 -11.392 838 HA LYS 109 HA LYS 109 -16.840 -3.523 -10.927 839 1HB LYS 109 1HB LYS 109 -14.460 -2.597 -11.631 840 2HB LYS 109 2HB LYS 109 -14.422 -2.029 -9.974 841 1HG LYS 109 1HG LYS 109 -15.360 -4.598 -9.609 842 2HG LYS 109 2HG LYS 109 -14.350 -4.821 -11.023 843 1HD LYS 109 1HD LYS 109 -12.625 -3.335 -9.571 844 2HD LYS 109 2HD LYS 109 -13.564 -3.978 -8.239 845 1HE LYS 109 1HE LYS 109 -12.184 -5.793 -8.383 846 2HE LYS 109 2HE LYS 109 -13.173 -6.261 -9.751 847 1HZ LYS 109 1HZ LYS 109 -10.510 -5.581 -9.771 848 2HZ LYS 109 2HZ LYS 109 -11.449 -5.945 -11.057 849 3HZ LYS 109 3HZ LYS 109 -11.278 -4.391 -10.585 850 H ALA 110 H ALA 110 -15.885 -0.351 -9.421 851 HA ALA 110 HA ALA 110 -16.977 -1.120 -6.914 852 1HB ALA 110 1HB ALA 110 -16.408 1.725 -7.750 853 2HB ALA 110 2HB ALA 110 -16.150 0.940 -6.174 854 3HB ALA 110 3HB ALA 110 -15.070 0.569 -7.540 855 H GLY 111 H GLY 111 -17.944 1.375 -9.382 856 1HA GLY 111 1HA GLY 111 -20.374 1.105 -10.004 857 2HA GLY 111 2HA GLY 111 -20.684 1.218 -8.283 858 H ALA 112 H ALA 112 -18.695 3.186 -7.567 859 HA ALA 112 HA ALA 112 -20.092 5.526 -8.479 860 1HB ALA 112 1HB ALA 112 -17.817 5.034 -6.521 861 2HB ALA 112 2HB ALA 112 -18.514 6.639 -6.844 862 3HB ALA 112 3HB ALA 112 -19.526 5.355 -6.141 863 H GLU 113 H GLU 113 -18.977 7.426 -9.401 864 HA GLU 113 HA GLU 113 -17.576 6.790 -11.647 865 1HB GLU 113 1HB GLU 113 -18.054 9.309 -10.083 866 2HB GLU 113 2HB GLU 113 -16.823 9.366 -11.329 867 1HG GLU 113 1HG GLU 113 -18.349 8.998 -13.064 868 2HG GLU 113 2HG GLU 113 -19.454 8.092 -12.051 869 H SER 114 H SER 114 -15.281 7.608 -12.236 870 HA SER 114 HA SER 114 -13.488 6.286 -10.566 871 1HB SER 114 1HB SER 114 -13.317 6.696 -13.094 872 2HB SER 114 2HB SER 114 -12.791 8.325 -12.719 873 HG SER 114 HG SER 114 -11.259 6.162 -12.874 874 H ALA 115 H ALA 115 -14.776 9.535 -10.600 875 HA ALA 115 HA ALA 115 -12.549 10.747 -9.271 876 1HB ALA 115 1HB ALA 115 -13.618 12.571 -10.026 877 2HB ALA 115 2HB ALA 115 -14.962 11.550 -10.591 878 3HB ALA 115 3HB ALA 115 -14.987 12.222 -8.943 879 H VAL 116 H VAL 116 -15.890 9.675 -8.336 880 HA VAL 116 HA VAL 116 -15.661 10.332 -5.649 881 HB VAL 116 HB VAL 116 -17.278 8.254 -7.126 882 1HG1 VAL 116 1HG1 VAL 116 -17.224 7.427 -4.909 883 2HG1 VAL 116 2HG1 VAL 116 -17.355 9.058 -4.209 884 3HG1 VAL 116 3HG1 VAL 116 -18.751 8.331 -5.041 885 1HG2 VAL 116 1HG2 VAL 116 -17.464 10.963 -7.248 886 2HG2 VAL 116 2HG2 VAL 116 -18.841 9.855 -7.464 887 3HG2 VAL 116 3HG2 VAL 116 -18.554 10.621 -5.883 888 H VAL 117 H VAL 117 -14.844 7.301 -7.441 889 HA VAL 117 HA VAL 117 -14.129 5.834 -5.168 890 HB VAL 117 HB VAL 117 -13.610 5.671 -8.111 891 1HG1 VAL 117 1HG1 VAL 117 -12.344 3.593 -7.817 892 2HG1 VAL 117 2HG1 VAL 117 -11.493 4.968 -7.074 893 3HG1 VAL 117 3HG1 VAL 117 -12.377 3.810 -6.051 894 1HG2 VAL 117 1HG2 VAL 117 -14.875 3.698 -6.184 895 2HG2 VAL 117 2HG2 VAL 117 -15.776 4.944 -7.081 896 3HG2 VAL 117 3HG2 VAL 117 -14.919 3.656 -7.962 897 H HIS 118 H HIS 118 -12.200 7.868 -7.462 898 HA HIS 118 HA HIS 118 -9.718 7.388 -6.488 899 1HB HIS 118 1HB HIS 118 -9.793 8.707 -8.378 900 2HB HIS 118 2HB HIS 118 -11.045 9.756 -7.744 901 HD1 HIS 118 1HD HIS 118 -7.378 8.974 -6.891 902 HD2 HIS 118 2HD HIS 118 -10.067 12.190 -7.013 903 HE1 HIS 118 1HE HIS 118 -6.036 11.052 -6.263 904 H GLU 119 H GLU 119 -11.997 9.977 -5.332 905 HA GLU 119 HA GLU 119 -10.380 10.849 -3.294 906 1HB GLU 119 1HB GLU 119 -13.413 10.842 -3.573 907 2HB GLU 119 2HB GLU 119 -12.578 11.689 -2.286 908 1HG GLU 119 1HG GLU 119 -11.279 12.987 -4.001 909 2HG GLU 119 2HG GLU 119 -12.151 12.158 -5.275 910 H ARG 120 H ARG 120 -12.956 8.306 -3.307 911 HA ARG 120 HA ARG 120 -12.886 7.786 -0.617 912 1HB ARG 120 1HB ARG 120 -13.944 6.534 -3.045 913 2HB ARG 120 2HB ARG 120 -13.374 5.303 -1.935 914 1HG ARG 120 1HG ARG 120 -14.722 7.071 -0.239 915 2HG ARG 120 2HG ARG 120 -15.698 7.122 -1.694 916 1HD ARG 120 1HD ARG 120 -16.616 5.310 -0.449 917 2HD ARG 120 2HD ARG 120 -15.620 4.527 -1.660 918 HE ARG 120 HE ARG 120 -14.210 3.753 0.038 919 1HH1 ARG 120 2HH2 ARG 120 -16.139 6.423 1.279 920 2HH1 ARG 120 1HH2 ARG 120 -15.589 6.230 2.910 921 1HH2 ARG 120 2HH1 ARG 120 -13.484 3.498 2.190 922 2HH2 ARG 120 1HH1 ARG 120 -14.068 4.555 3.432 923 H MET 121 H MET 121 -11.353 5.820 -3.284 924 HA MET 121 HA MET 121 -9.891 4.207 -1.625 925 1HB MET 121 1HB MET 121 -9.844 5.058 -4.499 926 2HB MET 121 2HB MET 121 -8.325 4.406 -3.917 927 1HG MET 121 1HG MET 121 -11.027 3.000 -3.641 928 2HG MET 121 2HG MET 121 -9.851 2.648 -4.891 929 1HE MET 121 1HE MET 121 -8.934 0.696 -4.797 930 2HE MET 121 2HE MET 121 -8.215 -0.199 -3.436 931 3HE MET 121 3HE MET 121 -9.984 -0.132 -3.622 932 H ASP 122 H ASP 122 -8.893 7.279 -3.284 933 HA ASP 122 HA ASP 122 -6.304 7.326 -2.528 934 1HB ASP 122 1HB ASP 122 -7.358 9.003 -4.008 935 2HB ASP 122 2HB ASP 122 -8.296 9.636 -2.671 936 H ARG 123 H ARG 123 -9.235 8.522 -0.744 937 HA ARG 123 HA ARG 123 -7.852 9.551 1.414 938 1HB ARG 123 1HB ARG 123 -10.695 8.557 1.002 939 2HB ARG 123 2HB ARG 123 -10.180 9.085 2.592 940 1HG ARG 123 1HG ARG 123 -9.743 10.830 0.137 941 2HG ARG 123 2HG ARG 123 -11.267 10.850 1.002 942 1HD ARG 123 1HD ARG 123 -9.041 11.051 2.890 943 2HD ARG 123 2HD ARG 123 -8.899 12.289 1.658 944 HE ARG 123 HE ARG 123 -10.945 12.129 3.727 945 1HH1 ARG 123 2HH2 ARG 123 -10.279 13.313 0.480 946 2HH1 ARG 123 1HH2 ARG 123 -11.478 14.561 0.552 947 1HH2 ARG 123 2HH1 ARG 123 -12.527 13.775 3.821 948 2HH2 ARG 123 1HH1 ARG 123 -12.765 14.826 2.465 949 H GLY 124 H GLY 124 -9.389 6.320 0.831 950 1HA GLY 124 1HA GLY 124 -8.894 5.219 3.363 951 2HA GLY 124 2HA GLY 124 -9.167 4.340 1.872 952 H TRP 125 H TRP 125 -6.946 5.292 0.311 953 HA TRP 125 HA TRP 125 -4.973 3.520 1.090 954 1HB TRP 125 1HB TRP 125 -5.351 5.571 -0.956 955 2HB TRP 125 2HB TRP 125 -3.677 5.407 -0.464 956 HD1 TRP 125 HD TRP 125 -6.087 3.878 -2.807 957 HE1 TRP 125 1HE TRP 125 -5.262 1.592 -3.835 958 HE3 TRP 125 3HE TRP 125 -2.288 3.163 0.495 959 HZ2 TRP 125 2HZ TRP 125 -3.160 -0.219 -3.165 960 HZ3 TRP 125 3HZ TRP 125 -0.897 1.110 0.238 961 HH2 TRP 125 HH TRP 125 -1.282 -0.549 -1.515 962 H HIS 126 H HIS 126 -5.064 7.152 1.348 963 HA HIS 126 HA HIS 126 -2.689 7.394 2.732 964 1HB HIS 126 1HB HIS 126 -4.200 9.163 1.606 965 2HB HIS 126 2HB HIS 126 -5.057 9.220 3.133 966 HD1 HIS 126 1HD HIS 126 -1.295 8.796 3.013 967 HD2 HIS 126 2HD HIS 126 -4.134 11.784 3.790 968 HE1 HIS 126 1HE HIS 126 -0.008 10.767 3.998 969 H ASP 127 H ASP 127 -6.088 7.195 3.998 970 HA ASP 127 HA ASP 127 -5.498 7.383 6.633 971 1HB ASP 127 1HB ASP 127 -7.625 5.932 5.054 972 2HB ASP 127 2HB ASP 127 -7.547 5.648 6.781 973 H LEU 128 H LEU 128 -5.520 4.490 4.451 974 HA LEU 128 HA LEU 128 -5.010 2.583 6.428 975 1HB LEU 128 1HB LEU 128 -5.845 1.766 4.441 976 2HB LEU 128 2HB LEU 128 -4.755 2.718 3.454 977 HG LEU 128 HG LEU 128 -2.875 1.228 4.396 978 1HD1 LEU 128 1HD1 LEU 128 -5.311 -0.191 5.407 979 2HD1 LEU 128 2HD1 LEU 128 -3.905 -1.142 4.871 980 3HD1 LEU 128 3HD1 LEU 128 -3.724 0.054 6.177 981 1HD2 LEU 128 1HD2 LEU 128 -4.805 -0.297 2.667 982 2HD2 LEU 128 2HD2 LEU 128 -4.035 1.195 2.076 983 3HD2 LEU 128 3HD2 LEU 128 -3.030 -0.190 2.569 984 H VAL 129 H VAL 129 -2.795 4.413 4.218 985 HA VAL 129 HA VAL 129 -0.532 3.359 5.707 986 HB VAL 129 HB VAL 129 -0.620 3.441 3.208 987 1HG1 VAL 129 1HG1 VAL 129 0.210 6.194 2.922 988 2HG1 VAL 129 2HG1 VAL 129 -1.100 5.315 2.096 989 3HG1 VAL 129 3HG1 VAL 129 -1.409 6.114 3.657 990 1HG2 VAL 129 1HG2 VAL 129 1.569 4.712 4.829 991 2HG2 VAL 129 2HG2 VAL 129 1.529 3.131 4.013 992 3HG2 VAL 129 3HG2 VAL 129 1.719 4.621 3.058 993 H ASN 130 H ASN 130 -2.407 5.032 7.152 994 HA ASN 130 HA ASN 130 -0.695 7.363 7.524 995 1HB ASN 130 1HB ASN 130 -3.637 7.093 7.268 996 2HB ASN 130 2HB ASN 130 -3.174 7.981 8.706 997 1HD2 ASN 130 1HD2 ASN 130 -0.911 9.267 7.984 998 2HD2 ASN 130 2HD2 ASN 130 -1.204 10.414 6.719 999 H GLU 131 H GLU 131 -3.360 5.514 9.209 1000 HA GLU 131 HA GLU 131 -1.728 5.639 11.618 1001 1HB GLU 131 1HB GLU 131 -4.705 5.027 11.469 1002 2HB GLU 131 2HB GLU 131 -3.776 5.451 12.893 1003 1HG GLU 131 1HG GLU 131 -3.430 7.507 10.855 1004 2HG GLU 131 2HG GLU 131 -5.140 7.221 11.114 1005 H ARG 132 H ARG 132 -4.141 3.466 9.965 1006 HA ARG 132 HA ARG 132 -3.864 1.236 11.290 1007 1HB ARG 132 1HB ARG 132 -3.810 1.568 8.253 1008 2HB ARG 132 2HB ARG 132 -4.031 0.009 9.022 1009 1HG ARG 132 1HG ARG 132 -5.826 2.013 10.193 1010 2HG ARG 132 2HG ARG 132 -6.039 1.925 8.456 1011 1HD ARG 132 1HD ARG 132 -7.264 0.035 8.737 1012 2HD ARG 132 2HD ARG 132 -5.825 -0.780 9.319 1013 HE ARG 132 HE ARG 132 -6.559 -0.493 11.545 1014 1HH1 ARG 132 2HH2 ARG 132 -8.578 1.370 9.347 1015 2HH1 ARG 132 1HH2 ARG 132 -9.781 1.719 10.543 1016 1HH2 ARG 132 2HH1 ARG 132 -8.146 -0.033 13.125 1017 2HH2 ARG 132 1HH1 ARG 132 -9.534 0.915 12.707 1018 H LEU 133 H LEU 133 -1.646 2.069 8.515 1019 HA LEU 133 HA LEU 133 0.109 -0.049 8.956 1020 1HB LEU 133 1HB LEU 133 0.154 0.935 6.857 1021 2HB LEU 133 2HB LEU 133 0.245 2.564 7.498 1022 HG LEU 133 HG LEU 133 2.580 2.034 8.299 1023 1HD1 LEU 133 1HD1 LEU 133 1.999 -0.520 6.815 1024 2HD1 LEU 133 2HD1 LEU 133 3.659 0.105 6.967 1025 3HD1 LEU 133 3HD1 LEU 133 2.717 -0.286 8.426 1026 1HD2 LEU 133 1HD2 LEU 133 1.775 3.105 6.008 1027 2HD2 LEU 133 2HD2 LEU 133 3.493 2.789 6.351 1028 3HD2 LEU 133 3HD2 LEU 133 2.565 1.656 5.339 1029 H ARG 134 H ARG 134 0.176 3.391 10.084 1030 HA ARG 134 HA ARG 134 2.590 3.331 11.299 1031 1HB ARG 134 1HB ARG 134 1.072 5.336 11.046 1032 2HB ARG 134 2HB ARG 134 0.066 4.715 12.340 1033 1HG ARG 134 1HG ARG 134 2.500 4.638 13.586 1034 2HG ARG 134 2HG ARG 134 2.785 5.966 12.479 1035 1HD ARG 134 1HD ARG 134 0.151 6.096 13.859 1036 2HD ARG 134 2HD ARG 134 1.524 6.195 14.942 1037 HE ARG 134 HE ARG 134 0.706 8.200 12.985 1038 1HH1 ARG 134 2HH2 ARG 134 3.444 6.930 14.792 1039 2HH1 ARG 134 1HH2 ARG 134 4.350 8.404 14.704 1040 1HH2 ARG 134 2HH1 ARG 134 1.900 10.145 12.868 1041 2HH2 ARG 134 1HH1 ARG 134 3.465 10.245 13.602 1042 H GLN 135 H GLN 135 -0.519 1.935 12.345 1043 HA GLN 135 HA GLN 135 0.265 1.542 15.019 1044 1HB GLN 135 1HB GLN 135 -2.100 1.283 13.496 1045 2HB GLN 135 2HB GLN 135 -1.763 -0.342 14.060 1046 1HG GLN 135 1HG GLN 135 -1.449 0.643 16.408 1047 2HG GLN 135 2HG GLN 135 -2.039 2.167 15.776 1048 1HE2 GLN 135 1HE2 GLN 135 -3.981 2.428 16.598 1049 2HE2 GLN 135 2HE2 GLN 135 -5.298 1.305 16.528 1050 H ILE 136 H ILE 136 0.748 -0.188 11.979 1051 HA ILE 136 HA ILE 136 1.205 -2.742 13.000 1052 HB ILE 136 HB ILE 136 2.376 -1.397 10.562 1053 1HG1 ILE 136 1HG1 ILE 136 -0.048 -1.246 10.558 1054 2HG1 ILE 136 2HG1 ILE 136 0.496 -2.390 9.348 1055 1HG2 ILE 136 1HG2 ILE 136 1.878 -4.290 10.498 1056 2HG2 ILE 136 2HG2 ILE 136 3.276 -3.345 9.931 1057 3HG2 ILE 136 3HG2 ILE 136 3.143 -3.795 11.648 1058 1HD1 ILE 136 1HD1 ILE 136 -1.035 -3.800 10.285 1059 2HD1 ILE 136 2HD1 ILE 136 0.191 -4.038 11.553 1060 3HD1 ILE 136 3HD1 ILE 136 -1.116 -2.853 11.790 1061 H VAL 137 H VAL 137 3.076 0.229 13.129 1062 HA VAL 137 HA VAL 137 5.368 -1.315 14.123 1063 HB VAL 137 HB VAL 137 6.705 0.642 13.587 1064 1HG1 VAL 137 1HG1 VAL 137 5.394 -1.061 11.708 1065 2HG1 VAL 137 2HG1 VAL 137 5.555 0.551 10.970 1066 3HG1 VAL 137 3HG1 VAL 137 6.996 -0.295 11.586 1067 1HG2 VAL 137 1HG2 VAL 137 5.012 2.381 13.964 1068 2HG2 VAL 137 2HG2 VAL 137 5.767 2.551 12.361 1069 3HG2 VAL 137 3HG2 VAL 137 4.137 1.853 12.507 1070 H GLU 138 H GLU 138 2.810 0.980 14.862 1071 HA GLU 138 HA GLU 138 4.107 1.591 17.386 1072 1HB GLU 138 1HB GLU 138 1.827 2.854 15.837 1073 2HB GLU 138 2HB GLU 138 2.032 3.197 17.543 1074 1HG GLU 138 1HG GLU 138 4.619 3.415 16.267 1075 2HG GLU 138 2HG GLU 138 3.465 4.330 15.318 Start of MODEL 19 1 1H MET 1 H MET 1 -9.138 20.532 -16.342 2 HA MET 1 HA MET 1 -9.229 19.613 -13.826 3 1HB MET 1 1HB MET 1 -11.722 19.015 -15.251 4 2HB MET 1 2HB MET 1 -10.908 17.517 -14.847 5 1HG MET 1 1HG MET 1 -11.141 19.656 -12.718 6 2HG MET 1 2HG MET 1 -12.555 18.694 -13.099 7 1HE MET 1 1HE MET 1 -9.410 17.727 -10.265 8 2HE MET 1 2HE MET 1 -8.638 18.246 -11.782 9 3HE MET 1 3HE MET 1 -9.901 19.254 -11.037 10 H THR 2 H THR 2 -9.801 18.170 -17.121 11 HA THR 2 HA THR 2 -8.705 16.564 -18.222 12 HB THR 2 HB THR 2 -7.195 18.619 -18.364 13 HG1 THR 2 1HG THR 2 -6.511 16.901 -19.654 14 1HG2 THR 2 1HG2 THR 2 -4.912 18.122 -17.168 15 2HG2 THR 2 2HG2 THR 2 -6.203 18.872 -16.199 16 3HG2 THR 2 3HG2 THR 2 -5.881 17.127 -16.054 17 H ARG 3 H ARG 3 -6.570 14.961 -17.955 18 HA ARG 3 HA ARG 3 -7.372 12.959 -16.465 19 1HB ARG 3 1HB ARG 3 -5.018 13.600 -17.842 20 2HB ARG 3 2HB ARG 3 -4.432 13.278 -16.223 21 1HG ARG 3 1HG ARG 3 -4.795 11.039 -16.428 22 2HG ARG 3 2HG ARG 3 -6.425 11.281 -17.027 23 1HD ARG 3 1HD ARG 3 -5.698 11.477 -19.296 24 2HD ARG 3 2HD ARG 3 -4.040 11.811 -18.835 25 HE ARG 3 HE ARG 3 -4.415 9.298 -17.795 26 1HH1 ARG 3 2HH2 ARG 3 -5.044 10.661 -20.978 27 2HH1 ARG 3 1HH2 ARG 3 -4.797 9.162 -21.809 28 1HH2 ARG 3 2HH1 ARG 3 -4.089 7.320 -18.892 29 2HH2 ARG 3 1HH1 ARG 3 -4.250 7.249 -20.615 30 H LEU 4 H LEU 4 -6.795 12.039 -14.322 31 HA LEU 4 HA LEU 4 -6.594 14.146 -12.341 32 1HB LEU 4 1HB LEU 4 -7.023 11.202 -11.871 33 2HB LEU 4 2HB LEU 4 -7.372 12.534 -10.788 34 HG LEU 4 HG LEU 4 -8.787 12.485 -13.419 35 1HD1 LEU 4 1HD1 LEU 4 -9.083 10.414 -11.298 36 2HD1 LEU 4 2HD1 LEU 4 -10.567 11.065 -12.035 37 3HD1 LEU 4 3HD1 LEU 4 -9.325 10.306 -13.058 38 1HD2 LEU 4 1HD2 LEU 4 -10.656 13.310 -11.939 39 2HD2 LEU 4 2HD2 LEU 4 -9.480 13.344 -10.603 40 3HD2 LEU 4 3HD2 LEU 4 -9.226 14.365 -12.038 41 HA PRO 5 HA PRO 5 -2.478 13.306 -11.358 42 1HB PRO 5 1HB PRO 5 -2.352 14.038 -8.728 43 2HB PRO 5 2HB PRO 5 -2.320 15.192 -10.047 44 1HG PRO 5 1HG PRO 5 -4.536 14.552 -8.197 45 2HG PRO 5 2HG PRO 5 -4.331 15.961 -9.219 46 1HD PRO 5 1HD PRO 5 -6.068 13.730 -9.701 47 2HD PRO 5 2HD PRO 5 -5.776 15.082 -10.776 48 H ASP 6 H ASP 6 -0.885 12.071 -10.044 49 HA ASP 6 HA ASP 6 -1.967 9.494 -9.749 50 1HB ASP 6 1HB ASP 6 0.729 10.544 -8.775 51 2HB ASP 6 2HB ASP 6 0.319 8.866 -9.071 52 H ILE 7 H ILE 7 -2.351 8.318 -7.769 53 HA ILE 7 HA ILE 7 -2.844 9.989 -5.483 54 HB ILE 7 HB ILE 7 -3.223 7.017 -5.859 55 1HG1 ILE 7 1HG1 ILE 7 -5.131 9.320 -6.362 56 2HG1 ILE 7 2HG1 ILE 7 -4.460 8.234 -7.563 57 1HG2 ILE 7 1HG2 ILE 7 -4.750 8.742 -3.932 58 2HG2 ILE 7 2HG2 ILE 7 -4.464 6.985 -3.911 59 3HG2 ILE 7 3HG2 ILE 7 -3.146 8.106 -3.494 60 1HD1 ILE 7 1HD1 ILE 7 -5.525 6.374 -5.906 61 2HD1 ILE 7 2HD1 ILE 7 -6.612 7.735 -5.538 62 3HD1 ILE 7 3HD1 ILE 7 -6.464 7.142 -7.209 63 H LYS 8 H LYS 8 -0.406 10.545 -5.464 64 HA LYS 8 HA LYS 8 1.120 8.425 -4.158 65 1HB LYS 8 1HB LYS 8 2.342 9.306 -5.950 66 2HB LYS 8 2HB LYS 8 1.851 10.955 -5.618 67 1HG LYS 8 1HG LYS 8 3.133 10.793 -3.405 68 2HG LYS 8 2HG LYS 8 3.751 9.246 -3.949 69 1HD LYS 8 1HD LYS 8 4.554 10.495 -6.082 70 2HD LYS 8 2HD LYS 8 4.211 11.978 -5.214 71 1HE LYS 8 1HE LYS 8 5.674 10.758 -3.296 72 2HE LYS 8 2HE LYS 8 6.337 9.910 -4.679 73 1HZ LYS 8 1HZ LYS 8 6.169 12.620 -5.288 74 2HZ LYS 8 2HZ LYS 8 6.913 12.473 -3.841 75 3HZ LYS 8 3HZ LYS 8 7.507 11.694 -5.148 76 H LYS 9 H LYS 9 1.295 8.377 -1.985 77 HA LYS 9 HA LYS 9 0.943 10.929 -0.579 78 1HB LYS 9 1HB LYS 9 -0.224 8.246 0.220 79 2HB LYS 9 2HB LYS 9 -0.280 9.706 1.187 80 1HG LYS 9 1HG LYS 9 -1.291 9.850 -1.654 81 2HG LYS 9 2HG LYS 9 -2.291 9.038 -0.465 82 1HD LYS 9 1HD LYS 9 -1.935 11.162 1.015 83 2HD LYS 9 2HD LYS 9 -1.344 11.929 -0.446 84 1HE LYS 9 1HE LYS 9 -3.505 11.337 -1.602 85 2HE LYS 9 2HE LYS 9 -4.095 10.640 -0.107 86 1HZ LYS 9 1HZ LYS 9 -3.084 13.270 0.239 87 2HZ LYS 9 2HZ LYS 9 -4.321 13.220 -0.825 88 3HZ LYS 9 3HZ LYS 9 -4.523 12.644 0.690 89 H GLU 10 H GLU 10 1.910 10.842 1.686 90 HA GLU 10 HA GLU 10 3.960 8.849 1.962 91 1HB GLU 10 1HB GLU 10 5.097 10.547 0.595 92 2HB GLU 10 2HB GLU 10 4.612 11.817 1.701 93 1HG GLU 10 1HG GLU 10 6.188 9.452 2.754 94 2HG GLU 10 2HG GLU 10 7.027 10.730 1.897 95 H VAL 11 H VAL 11 4.391 8.411 4.131 96 HA VAL 11 HA VAL 11 3.372 10.350 6.075 97 HB VAL 11 HB VAL 11 2.659 8.206 7.365 98 1HG1 VAL 11 1HG1 VAL 11 0.826 8.813 5.071 99 2HG1 VAL 11 2HG1 VAL 11 0.472 8.662 6.809 100 3HG1 VAL 11 3HG1 VAL 11 1.272 10.126 6.188 101 1HG2 VAL 11 1HG2 VAL 11 2.012 7.074 4.680 102 2HG2 VAL 11 2HG2 VAL 11 3.670 6.856 5.288 103 3HG2 VAL 11 3HG2 VAL 11 2.289 6.255 6.235 104 H ARG 12 H ARG 12 4.304 9.953 8.297 105 HA ARG 12 HA ARG 12 6.889 8.640 8.037 106 1HB ARG 12 1HB ARG 12 7.234 11.083 7.997 107 2HB ARG 12 2HB ARG 12 6.245 11.287 9.429 108 1HG ARG 12 1HG ARG 12 8.065 9.483 10.390 109 2HG ARG 12 2HG ARG 12 9.057 10.283 9.188 110 1HD ARG 12 1HD ARG 12 9.295 12.110 10.519 111 2HD ARG 12 2HD ARG 12 7.558 12.298 10.648 112 HE ARG 12 HE ARG 12 9.324 10.984 12.586 113 1HH1 ARG 12 2HH2 ARG 12 6.011 11.291 11.439 114 2HH1 ARG 12 1HH2 ARG 12 5.310 10.759 12.931 115 1HH2 ARG 12 2HH1 ARG 12 8.399 10.283 14.555 116 2HH2 ARG 12 1HH1 ARG 12 6.677 10.182 14.715 117 H PHE 13 H PHE 13 7.338 7.171 9.682 118 HA PHE 13 HA PHE 13 5.665 7.359 12.085 119 1HB PHE 13 1HB PHE 13 6.624 4.873 10.544 120 2HB PHE 13 2HB PHE 13 5.621 4.835 11.980 121 HD1 PHE 13 1HD PHE 13 5.126 3.731 9.094 122 HD2 PHE 13 2HD PHE 13 3.825 7.199 11.164 123 HE1 PHE 13 1HE PHE 13 3.068 3.815 7.659 124 HE2 PHE 13 2HE PHE 13 1.767 7.283 9.729 125 HZ PHE 13 HZ PHE 13 1.413 5.590 7.994 126 H ASN 14 H ASN 14 6.667 6.784 14.062 127 HA ASN 14 HA ASN 14 9.519 6.953 13.934 128 1HB ASN 14 1HB ASN 14 7.482 7.668 15.811 129 2HB ASN 14 2HB ASN 14 8.436 6.433 16.608 130 1HD2 ASN 14 1HD2 ASN 14 8.313 9.082 17.440 131 2HD2 ASN 14 2HD2 ASN 14 9.864 9.833 17.265 132 H ALA 15 H ALA 15 10.423 4.939 13.324 133 HA ALA 15 HA ALA 15 10.520 2.875 15.181 134 1HB ALA 15 1HB ALA 15 8.304 2.731 13.194 135 2HB ALA 15 2HB ALA 15 9.270 1.250 13.401 136 3HB ALA 15 3HB ALA 15 8.451 1.982 14.802 137 HA PRO 16 HA PRO 16 13.742 1.833 12.492 138 1HB PRO 16 1HB PRO 16 14.137 -0.834 12.939 139 2HB PRO 16 2HB PRO 16 14.713 0.415 14.025 140 1HG PRO 16 1HG PRO 16 12.413 -1.413 14.356 141 2HG PRO 16 2HG PRO 16 13.253 -0.473 15.574 142 1HD PRO 16 1HD PRO 16 10.703 0.123 14.404 143 2HD PRO 16 2HD PRO 16 11.597 1.120 15.535 144 H ILE 17 H ILE 17 14.002 1.737 10.351 145 HA ILE 17 HA ILE 17 11.909 0.951 8.755 146 HB ILE 17 HB ILE 17 13.844 2.405 8.164 147 1HG1 ILE 17 1HG1 ILE 17 13.502 0.238 6.096 148 2HG1 ILE 17 2HG1 ILE 17 12.159 1.267 6.551 149 1HG2 ILE 17 1HG2 ILE 17 15.932 1.666 8.222 150 2HG2 ILE 17 2HG2 ILE 17 15.342 0.084 8.787 151 3HG2 ILE 17 3HG2 ILE 17 15.545 0.388 7.045 152 1HD1 ILE 17 1HD1 ILE 17 14.811 2.089 5.314 153 2HD1 ILE 17 2HD1 ILE 17 13.166 2.376 4.698 154 3HD1 ILE 17 3HD1 ILE 17 13.752 3.271 6.120 155 H GLU 18 H GLU 18 14.362 -0.976 10.389 156 HA GLU 18 HA GLU 18 14.262 -3.199 8.737 157 1HB GLU 18 1HB GLU 18 15.685 -2.466 10.971 158 2HB GLU 18 2HB GLU 18 14.624 -3.680 11.656 159 1HG GLU 18 1HG GLU 18 15.972 -4.336 9.043 160 2HG GLU 18 2HG GLU 18 16.970 -4.323 10.484 161 H LYS 19 H LYS 19 12.133 -2.025 11.347 162 HA LYS 19 HA LYS 19 10.705 -4.498 11.542 163 1HB LYS 19 1HB LYS 19 11.064 -2.387 13.214 164 2HB LYS 19 2HB LYS 19 9.489 -1.990 12.557 165 1HG LYS 19 1HG LYS 19 9.074 -4.632 13.030 166 2HG LYS 19 2HG LYS 19 10.311 -4.343 14.237 167 1HD LYS 19 1HD LYS 19 8.995 -2.749 15.403 168 2HD LYS 19 2HD LYS 19 7.973 -2.427 14.016 169 1HE LYS 19 1HE LYS 19 6.479 -3.914 14.857 170 2HE LYS 19 2HE LYS 19 7.626 -5.190 14.502 171 1HZ LYS 19 1HZ LYS 19 6.950 -5.106 16.830 172 2HZ LYS 19 2HZ LYS 19 8.565 -4.926 16.660 173 3HZ LYS 19 3HZ LYS 19 7.629 -3.629 16.991 174 H VAL 20 H VAL 20 9.938 -1.182 10.263 175 HA VAL 20 HA VAL 20 7.488 -1.884 9.167 176 HB VAL 20 HB VAL 20 9.406 0.187 8.097 177 1HG1 VAL 20 1HG1 VAL 20 7.114 1.417 7.892 178 2HG1 VAL 20 2HG1 VAL 20 7.552 0.177 6.693 179 3HG1 VAL 20 3HG1 VAL 20 6.423 -0.219 8.011 180 1HG2 VAL 20 1HG2 VAL 20 9.480 1.009 10.190 181 2HG2 VAL 20 2HG2 VAL 20 7.802 1.521 9.890 182 3HG2 VAL 20 3HG2 VAL 20 8.127 -0.008 10.741 183 H TRP 21 H TRP 21 10.831 -2.005 7.814 184 HA TRP 21 HA TRP 21 10.192 -2.623 5.209 185 1HB TRP 21 1HB TRP 21 12.424 -2.063 5.881 186 2HB TRP 21 2HB TRP 21 12.529 -3.466 6.925 187 HD1 TRP 21 HD TRP 21 14.141 -5.172 5.792 188 HE1 TRP 21 1HE TRP 21 14.616 -6.159 3.391 189 HE3 TRP 21 3HE TRP 21 10.731 -2.291 3.357 190 HZ2 TRP 21 2HZ TRP 21 13.538 -5.636 0.801 191 HZ3 TRP 21 3HZ TRP 21 10.505 -2.592 0.893 192 HH2 TRP 21 HH TRP 21 11.839 -4.195 -0.382 193 H GLU 22 H GLU 22 10.720 -4.814 8.061 194 HA GLU 22 HA GLU 22 10.128 -7.126 6.612 195 1HB GLU 22 1HB GLU 22 10.905 -6.415 9.296 196 2HB GLU 22 2HB GLU 22 9.539 -7.508 9.402 197 1HG GLU 22 1HG GLU 22 10.746 -9.055 7.770 198 2HG GLU 22 2HG GLU 22 12.141 -8.000 7.881 199 H ALA 23 H ALA 23 8.160 -4.638 8.123 200 HA ALA 23 HA ALA 23 5.826 -6.264 8.400 201 1HB ALA 23 1HB ALA 23 5.691 -3.277 8.220 202 2HB ALA 23 2HB ALA 23 4.914 -4.388 9.374 203 3HB ALA 23 3HB ALA 23 6.638 -3.980 9.554 204 H VAL 24 H VAL 24 7.501 -4.759 5.779 205 HA VAL 24 HA VAL 24 5.054 -4.913 4.157 206 HB VAL 24 HB VAL 24 5.874 -3.158 2.810 207 1HG1 VAL 24 1HG1 VAL 24 5.204 -1.616 4.276 208 2HG1 VAL 24 2HG1 VAL 24 5.393 -2.817 5.575 209 3HG1 VAL 24 3HG1 VAL 24 6.742 -1.731 5.164 210 1HG2 VAL 24 1HG2 VAL 24 8.243 -3.860 2.746 211 2HG2 VAL 24 2HG2 VAL 24 8.067 -2.117 3.063 212 3HG2 VAL 24 3HG2 VAL 24 8.464 -3.229 4.395 213 H SER 25 H SER 25 7.531 -6.762 5.044 214 HA SER 25 HA SER 25 8.166 -7.544 2.308 215 1HB SER 25 1HB SER 25 10.282 -8.228 3.007 216 2HB SER 25 2HB SER 25 10.009 -6.857 4.064 217 HG SER 25 HG SER 25 9.028 -8.640 5.556 218 H THR 26 H THR 26 6.816 -8.485 5.446 219 HA THR 26 HA THR 26 6.575 -11.269 4.579 220 HB THR 26 HB THR 26 5.827 -11.546 6.988 221 HG1 THR 26 1HG THR 26 5.115 -9.150 6.879 222 1HG2 THR 26 1HG2 THR 26 7.989 -11.523 7.807 223 2HG2 THR 26 2HG2 THR 26 8.421 -11.154 6.120 224 3HG2 THR 26 3HG2 THR 26 8.256 -9.837 7.305 225 H SER 27 H SER 27 4.359 -12.299 5.298 226 HA SER 27 HA SER 27 2.420 -10.770 3.823 227 1HB SER 27 1HB SER 27 2.581 -13.639 4.799 228 2HB SER 27 2HB SER 27 1.066 -12.986 4.206 229 HG SER 27 HG SER 27 3.565 -13.053 2.737 230 H GLU 28 H GLU 28 2.732 -12.462 7.025 231 HA GLU 28 HA GLU 28 0.280 -11.714 8.004 232 1HB GLU 28 1HB GLU 28 2.603 -13.050 8.951 233 2HB GLU 28 2HB GLU 28 2.295 -11.772 10.110 234 1HG GLU 28 1HG GLU 28 -0.116 -13.298 9.208 235 2HG GLU 28 2HG GLU 28 1.039 -14.210 10.159 236 H GLY 29 H GLY 29 3.383 -9.949 7.841 237 1HA GLY 29 1HA GLY 29 2.618 -7.842 9.606 238 2HA GLY 29 2HA GLY 29 3.974 -7.870 8.496 239 H LEU 30 H LEU 30 2.489 -8.411 6.043 240 HA LEU 30 HA LEU 30 1.678 -5.741 5.483 241 1HB LEU 30 1HB LEU 30 2.343 -8.170 4.034 242 2HB LEU 30 2HB LEU 30 0.951 -7.364 3.340 243 HG LEU 30 HG LEU 30 3.096 -5.479 3.936 244 1HD1 LEU 30 1HD1 LEU 30 4.741 -7.040 3.519 245 2HD1 LEU 30 2HD1 LEU 30 3.745 -7.944 2.354 246 3HD1 LEU 30 3HD1 LEU 30 4.452 -6.377 1.893 247 1HD2 LEU 30 1HD2 LEU 30 1.391 -6.213 1.565 248 2HD2 LEU 30 2HD2 LEU 30 1.400 -4.719 2.532 249 3HD2 LEU 30 3HD2 LEU 30 2.743 -5.064 1.416 250 H ALA 31 H ALA 31 -0.029 -8.950 5.489 251 HA ALA 31 HA ALA 31 -2.550 -7.951 4.962 252 1HB ALA 31 1HB ALA 31 -1.801 -10.349 4.930 253 2HB ALA 31 2HB ALA 31 -1.821 -10.334 6.710 254 3HB ALA 31 3HB ALA 31 -3.332 -10.092 5.801 255 H PHE 32 H PHE 32 -0.525 -7.563 7.757 256 HA PHE 32 HA PHE 32 -2.473 -7.389 9.745 257 1HB PHE 32 1HB PHE 32 0.295 -7.217 9.472 258 2HB PHE 32 2HB PHE 32 -0.099 -5.534 9.760 259 HD1 PHE 32 1HD PHE 32 1.273 -7.994 11.422 260 HD2 PHE 32 2HD PHE 32 -2.290 -5.706 11.695 261 HE1 PHE 32 1HE PHE 32 1.177 -8.438 13.890 262 HE2 PHE 32 2HE PHE 32 -2.386 -6.150 14.164 263 HZ PHE 32 HZ PHE 32 -0.652 -7.512 15.232 264 H TRP 33 H TRP 33 -1.563 -5.210 7.125 265 HA TRP 33 HA TRP 33 -3.488 -3.272 8.196 266 1HB TRP 33 1HB TRP 33 -2.066 -1.453 7.313 267 2HB TRP 33 2HB TRP 33 -1.377 -2.303 8.682 268 HD1 TRP 33 HD TRP 33 0.717 -4.065 8.052 269 HE1 TRP 33 1HE TRP 33 2.578 -4.006 6.181 270 HE3 TRP 33 3HE TRP 33 -1.686 -0.757 5.028 271 HZ2 TRP 33 2HZ TRP 33 2.830 -2.613 3.703 272 HZ3 TRP 33 3HZ TRP 33 -0.563 -0.100 2.902 273 HH2 TRP 33 HH TRP 33 1.617 -0.971 2.222 274 H PHE 34 H PHE 34 -1.544 -4.448 5.364 275 HA PHE 34 HA PHE 34 -3.257 -3.294 3.451 276 1HB PHE 34 1HB PHE 34 -0.977 -3.902 2.863 277 2HB PHE 34 2HB PHE 34 -1.137 -5.495 3.576 278 HD1 PHE 34 1HD PHE 34 -0.647 -6.950 1.827 279 HD2 PHE 34 2HD PHE 34 -3.406 -3.794 1.163 280 HE1 PHE 34 1HE PHE 34 -1.196 -7.904 -0.429 281 HE2 PHE 34 2HE PHE 34 -3.955 -4.748 -1.093 282 HZ PHE 34 HZ PHE 34 -2.843 -6.791 -1.862 283 H MET 35 H MET 35 -2.620 -6.812 3.389 284 HA MET 35 HA MET 35 -5.150 -7.608 4.205 285 1HB MET 35 1HB MET 35 -4.939 -6.620 1.454 286 2HB MET 35 2HB MET 35 -5.328 -8.328 1.428 287 1HG MET 35 1HG MET 35 -7.111 -7.638 3.300 288 2HG MET 35 2HG MET 35 -6.920 -6.041 2.606 289 1HE MET 35 1HE MET 35 -6.222 -6.716 -0.429 290 2HE MET 35 2HE MET 35 -7.852 -6.613 -1.138 291 3HE MET 35 3HE MET 35 -7.347 -5.444 0.106 292 H GLU 36 H GLU 36 -5.547 -9.999 3.652 293 HA GLU 36 HA GLU 36 -3.335 -11.452 4.248 294 1HB GLU 36 1HB GLU 36 -5.974 -12.172 2.946 295 2HB GLU 36 2HB GLU 36 -4.756 -13.405 3.200 296 1HG GLU 36 1HG GLU 36 -5.120 -11.745 5.601 297 2HG GLU 36 2HG GLU 36 -6.630 -12.476 5.095 298 H ASN 37 H ASN 37 -1.797 -12.689 3.077 299 HA ASN 37 HA ASN 37 -1.977 -12.953 0.292 300 1HB ASN 37 1HB ASN 37 -0.054 -11.528 -0.355 301 2HB ASN 37 2HB ASN 37 -1.303 -10.540 0.378 302 1HD2 ASN 37 1HD2 ASN 37 -1.130 -10.397 2.846 303 2HD2 ASN 37 2HD2 ASN 37 0.437 -10.049 3.496 304 H ASP 38 H ASP 38 0.485 -13.662 -0.490 305 HA ASP 38 HA ASP 38 1.587 -15.196 1.731 306 1HB ASP 38 1HB ASP 38 0.295 -16.303 -0.399 307 2HB ASP 38 2HB ASP 38 1.902 -16.185 -1.089 308 H LEU 39 H LEU 39 2.268 -12.480 0.543 309 HA LEU 39 HA LEU 39 4.500 -12.739 -1.145 310 1HB LEU 39 1HB LEU 39 3.105 -10.728 -0.934 311 2HB LEU 39 2HB LEU 39 3.688 -10.490 0.702 312 HG LEU 39 HG LEU 39 5.918 -10.708 -1.137 313 1HD1 LEU 39 1HD1 LEU 39 5.306 -8.325 -2.118 314 2HD1 LEU 39 2HD1 LEU 39 4.828 -9.829 -2.940 315 3HD1 LEU 39 3HD1 LEU 39 3.647 -8.945 -1.945 316 1HD2 LEU 39 1HD2 LEU 39 6.699 -8.796 -0.019 317 2HD2 LEU 39 2HD2 LEU 39 5.057 -8.281 0.436 318 3HD2 LEU 39 3HD2 LEU 39 5.787 -9.709 1.208 319 H LYS 40 H LYS 40 6.774 -12.378 -0.636 320 HA LYS 40 HA LYS 40 7.492 -12.727 2.154 321 1HB LYS 40 1HB LYS 40 7.867 -14.809 0.037 322 2HB LYS 40 2HB LYS 40 9.148 -14.582 1.211 323 1HG LYS 40 1HG LYS 40 6.871 -14.558 2.819 324 2HG LYS 40 2HG LYS 40 6.433 -15.716 1.580 325 1HD LYS 40 1HD LYS 40 7.522 -17.031 3.235 326 2HD LYS 40 2HD LYS 40 8.741 -16.818 1.995 327 1HE LYS 40 1HE LYS 40 10.027 -16.203 3.816 328 2HE LYS 40 2HE LYS 40 9.331 -14.632 3.470 329 1HZ LYS 40 1HZ LYS 40 7.982 -14.765 5.248 330 2HZ LYS 40 2HZ LYS 40 7.796 -16.386 5.177 331 3HZ LYS 40 3HZ LYS 40 9.157 -15.747 5.815 332 H ALA 41 H ALA 41 7.587 -10.655 -0.084 333 HA ALA 41 HA ALA 41 9.005 -9.169 -0.911 334 1HB ALA 41 1HB ALA 41 11.287 -9.252 0.673 335 2HB ALA 41 2HB ALA 41 9.814 -8.314 1.017 336 3HB ALA 41 3HB ALA 41 10.031 -9.926 1.738 337 H GLU 42 H GLU 42 9.044 -10.970 -2.688 338 HA GLU 42 HA GLU 42 11.842 -11.387 -3.250 339 1HB GLU 42 1HB GLU 42 10.280 -13.502 -2.270 340 2HB GLU 42 2HB GLU 42 10.260 -13.753 -4.004 341 1HG GLU 42 1HG GLU 42 12.644 -13.905 -4.135 342 2HG GLU 42 2HG GLU 42 12.869 -13.156 -2.567 343 H THR 43 H THR 43 12.310 -11.044 -5.418 344 HA THR 43 HA THR 43 10.158 -10.086 -7.056 345 HB THR 43 HB THR 43 12.689 -9.302 -6.796 346 HG1 THR 43 1HG THR 43 11.116 -8.412 -8.294 347 1HG2 THR 43 1HG2 THR 43 13.340 -11.753 -7.739 348 2HG2 THR 43 2HG2 THR 43 13.011 -10.959 -9.298 349 3HG2 THR 43 3HG2 THR 43 14.261 -10.305 -8.212 350 H GLY 44 H GLY 44 9.372 -10.922 -9.006 351 1HA GLY 44 1HA GLY 44 8.815 -12.518 -10.494 352 2HA GLY 44 2HA GLY 44 10.321 -13.339 -10.135 353 H HIS 45 H HIS 45 8.308 -12.625 -7.363 354 HA HIS 45 HA HIS 45 7.859 -15.448 -7.021 355 1HB HIS 45 1HB HIS 45 8.677 -13.853 -5.221 356 2HB HIS 45 2HB HIS 45 7.059 -13.182 -5.182 357 HD1 HIS 45 1HD HIS 45 7.599 -16.904 -5.608 358 HD2 HIS 45 2HD HIS 45 6.518 -14.175 -2.611 359 HE1 HIS 45 1HE HIS 45 6.761 -18.297 -3.641 360 H HIS 46 H HIS 46 5.586 -16.093 -6.100 361 HA HIS 46 HA HIS 46 3.497 -14.580 -7.449 362 1HB HIS 46 1HB HIS 46 2.730 -17.192 -7.903 363 2HB HIS 46 2HB HIS 46 3.369 -16.074 -9.092 364 HD1 HIS 46 1HD HIS 46 4.916 -17.441 -10.508 365 HD2 HIS 46 2HD HIS 46 5.449 -18.179 -6.414 366 HE1 HIS 46 1HE HIS 46 6.907 -19.026 -10.321 367 H PHE 47 H PHE 47 2.105 -14.023 -5.855 368 HA PHE 47 HA PHE 47 1.447 -16.106 -3.906 369 1HB PHE 47 1HB PHE 47 1.388 -14.173 -2.223 370 2HB PHE 47 2HB PHE 47 2.995 -14.509 -2.835 371 HD1 PHE 47 1HD PHE 47 3.659 -13.107 -4.990 372 HD2 PHE 47 2HD PHE 47 0.661 -11.983 -2.205 373 HE1 PHE 47 1HE PHE 47 3.882 -10.715 -5.715 374 HE2 PHE 47 2HE PHE 47 0.884 -9.590 -2.931 375 HZ PHE 47 HZ PHE 47 2.492 -8.985 -4.677 376 H HIS 48 H HIS 48 -0.733 -16.275 -3.400 377 HA HIS 48 HA HIS 48 -2.490 -14.749 -5.081 378 1HB HIS 48 1HB HIS 48 -2.765 -17.126 -3.267 379 2HB HIS 48 2HB HIS 48 -4.201 -16.250 -3.760 380 HD1 HIS 48 1HD HIS 48 -1.228 -18.071 -5.334 381 HD2 HIS 48 2HD HIS 48 -5.158 -16.925 -6.250 382 HE1 HIS 48 1HE HIS 48 -1.782 -19.149 -7.579 383 H LEU 49 H LEU 49 -4.633 -13.929 -3.993 384 HA LEU 49 HA LEU 49 -3.966 -12.674 -1.429 385 1HB LEU 49 1HB LEU 49 -3.669 -11.214 -3.542 386 2HB LEU 49 2HB LEU 49 -5.420 -11.198 -3.604 387 HG LEU 49 HG LEU 49 -5.065 -10.468 -1.024 388 1HD1 LEU 49 1HD1 LEU 49 -3.220 -8.862 -0.873 389 2HD1 LEU 49 2HD1 LEU 49 -2.630 -10.518 -1.149 390 3HD1 LEU 49 3HD1 LEU 49 -2.659 -9.349 -2.490 391 1HD2 LEU 49 1HD2 LEU 49 -5.844 -8.399 -1.654 392 2HD2 LEU 49 2HD2 LEU 49 -4.814 -8.325 -3.104 393 3HD2 LEU 49 3HD2 LEU 49 -6.254 -9.370 -3.088 394 H GLN 50 H GLN 50 -5.639 -12.606 0.060 395 HA GLN 50 HA GLN 50 -8.099 -13.855 -0.889 396 1HB GLN 50 1HB GLN 50 -6.830 -13.927 1.884 397 2HB GLN 50 2HB GLN 50 -8.387 -14.627 1.490 398 1HG GLN 50 1HG GLN 50 -6.369 -15.517 -0.430 399 2HG GLN 50 2HG GLN 50 -5.831 -15.844 1.206 400 1HE2 GLN 50 1HE2 GLN 50 -8.377 -16.337 -1.154 401 2HE2 GLN 50 2HE2 GLN 50 -9.095 -17.746 -0.447 402 H SER 51 H SER 51 -8.780 -11.629 -1.550 403 HA SER 51 HA SER 51 -9.171 -9.785 0.608 404 1HB SER 51 1HB SER 51 -9.430 -8.192 -1.024 405 2HB SER 51 2HB SER 51 -8.620 -9.395 -2.009 406 HG SER 51 HG SER 51 -10.686 -10.136 -2.767 407 HA PRO 52 HA PRO 52 -13.362 -10.749 1.274 408 1HB PRO 52 1HB PRO 52 -14.501 -8.336 1.865 409 2HB PRO 52 2HB PRO 52 -13.548 -9.253 3.014 410 1HG PRO 52 1HG PRO 52 -12.799 -6.824 1.505 411 2HG PRO 52 2HG PRO 52 -12.053 -7.498 2.940 412 1HD PRO 52 1HD PRO 52 -11.066 -7.667 0.252 413 2HD PRO 52 2HD PRO 52 -10.383 -8.438 1.669 414 H PHE 53 H PHE 53 -12.518 -8.820 -1.340 415 HA PHE 53 HA PHE 53 -15.226 -9.157 -2.420 416 1HB PHE 53 1HB PHE 53 -13.738 -6.864 -2.086 417 2HB PHE 53 2HB PHE 53 -13.108 -7.367 -3.642 418 HD1 PHE 53 1HD PHE 53 -14.652 -7.567 -5.589 419 HD2 PHE 53 2HD PHE 53 -15.918 -5.925 -1.887 420 HE1 PHE 53 1HE PHE 53 -16.631 -6.523 -6.728 421 HE2 PHE 53 2HE PHE 53 -17.896 -4.881 -3.026 422 HZ PHE 53 HZ PHE 53 -18.229 -5.192 -5.433 423 H GLY 54 H GLY 54 -13.673 -11.441 -2.459 424 1HA GLY 54 1HA GLY 54 -13.298 -13.028 -4.069 425 2HA GLY 54 2HA GLY 54 -13.280 -11.793 -5.312 426 HA PRO 55 HA PRO 55 -8.966 -12.839 -3.723 427 1HB PRO 55 1HB PRO 55 -8.334 -15.288 -4.759 428 2HB PRO 55 2HB PRO 55 -8.853 -15.054 -3.102 429 1HG PRO 55 1HG PRO 55 -10.374 -16.162 -5.381 430 2HG PRO 55 2HG PRO 55 -10.704 -16.308 -3.666 431 1HD PRO 55 1HD PRO 55 -12.044 -14.590 -5.532 432 2HD PRO 55 2HD PRO 55 -12.294 -14.652 -3.799 433 H SER 56 H SER 56 -7.059 -12.334 -4.813 434 HA SER 56 HA SER 56 -7.340 -12.478 -7.690 435 1HB SER 56 1HB SER 56 -7.659 -10.061 -6.207 436 2HB SER 56 2HB SER 56 -6.083 -9.958 -6.966 437 HG SER 56 HG SER 56 -8.466 -9.536 -8.111 438 HA PRO 57 HA PRO 57 -3.168 -13.644 -7.171 439 1HB PRO 57 1HB PRO 57 -2.388 -13.733 -9.789 440 2HB PRO 57 2HB PRO 57 -3.256 -15.037 -9.002 441 1HG PRO 57 1HG PRO 57 -4.263 -13.046 -10.941 442 2HG PRO 57 2HG PRO 57 -4.970 -14.580 -10.477 443 1HD PRO 57 1HD PRO 57 -5.813 -11.974 -9.626 444 2HD PRO 57 2HD PRO 57 -6.444 -13.513 -9.072 445 H CYS 58 H CYS 58 -1.156 -12.808 -6.788 446 HA CYS 58 HA CYS 58 -0.830 -10.129 -7.927 447 1HB CYS 58 1HB CYS 58 -0.038 -10.966 -5.118 448 2HB CYS 58 2HB CYS 58 0.209 -9.388 -5.839 449 HG CYS 58 HG CYS 58 -2.691 -9.937 -6.538 450 H GLN 59 H GLN 59 1.536 -9.501 -8.092 451 HA GLN 59 HA GLN 59 3.378 -11.687 -7.879 452 1HB GLN 59 1HB GLN 59 2.646 -12.193 -10.087 453 2HB GLN 59 2HB GLN 59 2.532 -10.504 -10.539 454 1HG GLN 59 1HG GLN 59 4.808 -10.302 -10.937 455 2HG GLN 59 2HG GLN 59 5.244 -11.435 -9.673 456 1HE2 GLN 59 1HE2 GLN 59 5.611 -13.510 -10.132 457 2HE2 GLN 59 2HE2 GLN 59 5.459 -14.245 -11.692 458 H VAL 60 H VAL 60 5.479 -10.956 -7.471 459 HA VAL 60 HA VAL 60 5.713 -8.105 -7.075 460 HB VAL 60 HB VAL 60 7.719 -10.300 -6.540 461 1HG1 VAL 60 1HG1 VAL 60 7.396 -7.473 -5.489 462 2HG1 VAL 60 2HG1 VAL 60 8.495 -8.678 -4.779 463 3HG1 VAL 60 3HG1 VAL 60 8.738 -8.131 -6.455 464 1HG2 VAL 60 1HG2 VAL 60 5.328 -9.386 -4.949 465 2HG2 VAL 60 2HG2 VAL 60 5.889 -11.038 -5.299 466 3HG2 VAL 60 3HG2 VAL 60 6.773 -10.027 -4.131 467 H THR 61 H THR 61 6.981 -6.701 -8.263 468 HA THR 61 HA THR 61 8.176 -7.868 -10.683 469 HB THR 61 HB THR 61 7.771 -5.635 -11.656 470 HG1 THR 61 1HG THR 61 7.971 -4.154 -9.994 471 1HG2 THR 61 1HG2 THR 61 5.380 -6.514 -9.950 472 2HG2 THR 61 2HG2 THR 61 5.301 -5.380 -11.320 473 3HG2 THR 61 3HG2 THR 61 5.737 -7.084 -11.599 474 H ASP 62 H ASP 62 8.789 -5.907 -7.779 475 HA ASP 62 HA ASP 62 11.565 -6.383 -8.156 476 1HB ASP 62 1HB ASP 62 10.376 -3.816 -8.910 477 2HB ASP 62 2HB ASP 62 11.504 -3.594 -7.588 478 H VAL 63 H VAL 63 12.481 -6.566 -6.074 479 HA VAL 63 HA VAL 63 11.419 -5.036 -3.891 480 HB VAL 63 HB VAL 63 9.765 -6.682 -3.780 481 1HG1 VAL 63 1HG1 VAL 63 10.363 -9.163 -3.792 482 2HG1 VAL 63 2HG1 VAL 63 10.477 -8.308 -5.349 483 3HG1 VAL 63 3HG1 VAL 63 11.953 -8.673 -4.424 484 1HG2 VAL 63 1HG2 VAL 63 11.161 -6.252 -1.661 485 2HG2 VAL 63 2HG2 VAL 63 10.096 -7.679 -1.676 486 3HG2 VAL 63 3HG2 VAL 63 11.846 -7.871 -1.939 487 H GLU 64 H GLU 64 13.301 -4.283 -3.068 488 HA GLU 64 HA GLU 64 15.234 -6.214 -2.242 489 1HB GLU 64 1HB GLU 64 15.904 -5.736 -4.608 490 2HB GLU 64 2HB GLU 64 16.039 -4.033 -4.218 491 1HG GLU 64 1HG GLU 64 18.186 -4.423 -3.599 492 2HG GLU 64 2HG GLU 64 17.566 -5.305 -2.218 493 H ARG 65 H ARG 65 15.279 -5.600 -0.110 494 HA ARG 65 HA ARG 65 15.499 -4.390 1.666 495 1HB ARG 65 1HB ARG 65 17.263 -3.005 -0.304 496 2HB ARG 65 2HB ARG 65 16.834 -2.029 1.086 497 1HG ARG 65 1HG ARG 65 17.448 -4.346 2.377 498 2HG ARG 65 2HG ARG 65 18.460 -4.551 0.961 499 1HD ARG 65 1HD ARG 65 18.591 -1.826 2.155 500 2HD ARG 65 2HD ARG 65 19.169 -3.097 3.214 501 HE ARG 65 HE ARG 65 20.310 -3.587 0.667 502 1HH1 ARG 65 2HH2 ARG 65 20.437 -1.102 3.156 503 2HH1 ARG 65 1HH2 ARG 65 22.051 -0.612 2.764 504 1HH2 ARG 65 2HH1 ARG 65 22.440 -2.941 0.150 505 2HH2 ARG 65 1HH1 ARG 65 23.198 -1.665 1.042 506 HA PRO 66 HA PRO 66 12.480 -1.242 1.761 507 1HB PRO 66 1HB PRO 66 13.156 0.303 3.911 508 2HB PRO 66 2HB PRO 66 12.354 -1.249 4.060 509 1HG PRO 66 1HG PRO 66 15.180 -0.564 4.593 510 2HG PRO 66 2HG PRO 66 14.270 -1.963 5.126 511 1HD PRO 66 1HD PRO 66 16.201 -1.878 3.008 512 2HD PRO 66 2HD PRO 66 15.208 -3.247 3.465 513 H ILE 67 H ILE 67 13.941 -0.720 -0.352 514 HA ILE 67 HA ILE 67 14.288 2.186 -0.109 515 HB ILE 67 HB ILE 67 16.101 1.969 -1.802 516 1HG1 ILE 67 1HG1 ILE 67 16.962 -0.680 -1.297 517 2HG1 ILE 67 2HG1 ILE 67 15.274 -0.795 -1.753 518 1HG2 ILE 67 1HG2 ILE 67 17.721 0.853 -0.037 519 2HG2 ILE 67 2HG2 ILE 67 16.964 2.436 0.263 520 3HG2 ILE 67 3HG2 ILE 67 16.286 0.969 1.008 521 1HD1 ILE 67 1HD1 ILE 67 17.237 -0.692 -3.590 522 2HD1 ILE 67 2HD1 ILE 67 15.639 0.032 -3.890 523 3HD1 ILE 67 3HD1 ILE 67 16.998 1.059 -3.374 524 H LYS 68 H LYS 68 13.388 -0.672 -2.080 525 HA LYS 68 HA LYS 68 11.462 0.959 -3.458 526 1HB LYS 68 1HB LYS 68 13.322 1.443 -4.877 527 2HB LYS 68 2HB LYS 68 13.832 -0.233 -4.912 528 1HG LYS 68 1HG LYS 68 12.394 -0.734 -6.602 529 2HG LYS 68 2HG LYS 68 11.041 0.003 -5.767 530 1HD LYS 68 1HD LYS 68 11.255 1.999 -6.892 531 2HD LYS 68 2HD LYS 68 13.006 1.961 -6.843 532 1HE LYS 68 1HE LYS 68 12.714 -0.048 -8.579 533 2HE LYS 68 2HE LYS 68 11.139 0.673 -8.847 534 1HZ LYS 68 1HZ LYS 68 13.520 1.501 -9.893 535 2HZ LYS 68 2HZ LYS 68 12.084 2.271 -10.005 536 3HZ LYS 68 3HZ LYS 68 13.126 2.656 -8.807 537 H LEU 69 H LEU 69 9.639 -0.220 -3.303 538 HA LEU 69 HA LEU 69 9.878 -3.097 -3.775 539 1HB LEU 69 1HB LEU 69 9.854 -2.715 -1.355 540 2HB LEU 69 2HB LEU 69 8.358 -1.814 -1.501 541 HG LEU 69 HG LEU 69 7.392 -3.990 -2.538 542 1HD1 LEU 69 1HD1 LEU 69 9.889 -4.913 -2.515 543 2HD1 LEU 69 2HD1 LEU 69 9.401 -5.448 -0.889 544 3HD1 LEU 69 3HD1 LEU 69 8.476 -5.977 -2.315 545 1HD2 LEU 69 1HD2 LEU 69 7.104 -4.938 -0.143 546 2HD2 LEU 69 2HD2 LEU 69 8.009 -3.490 0.362 547 3HD2 LEU 69 3HD2 LEU 69 6.471 -3.317 -0.518 548 H SER 70 H SER 70 8.432 -3.829 -5.257 549 HA SER 70 HA SER 70 6.079 -2.176 -5.678 550 1HB SER 70 1HB SER 70 7.937 -1.729 -7.398 551 2HB SER 70 2HB SER 70 7.698 -3.370 -7.964 552 HG SER 70 HG SER 70 6.445 -1.870 -9.214 553 H PHE 71 H PHE 71 4.194 -3.363 -6.346 554 HA PHE 71 HA PHE 71 4.455 -6.162 -6.920 555 1HB PHE 71 1HB PHE 71 3.217 -6.874 -4.918 556 2HB PHE 71 2HB PHE 71 4.555 -5.890 -4.362 557 HD1 PHE 71 1HD PHE 71 3.925 -3.263 -4.248 558 HD2 PHE 71 2HD PHE 71 1.172 -6.478 -3.946 559 HE1 PHE 71 1HE PHE 71 2.320 -1.773 -3.023 560 HE2 PHE 71 2HE PHE 71 -0.433 -4.987 -2.720 561 HZ PHE 71 HZ PHE 71 0.160 -2.653 -2.273 562 H THR 72 H THR 72 2.780 -6.824 -8.226 563 HA THR 72 HA THR 72 0.692 -4.844 -8.718 564 HB THR 72 HB THR 72 0.409 -6.090 -10.816 565 HG1 THR 72 1HG THR 72 0.682 -8.220 -9.841 566 1HG2 THR 72 1HG2 THR 72 2.572 -4.670 -10.552 567 2HG2 THR 72 2HG2 THR 72 3.405 -6.211 -10.235 568 3HG2 THR 72 3HG2 THR 72 2.606 -5.937 -11.802 569 H TRP 73 H TRP 73 -1.492 -5.187 -8.458 570 HA TRP 73 HA TRP 73 -2.214 -7.754 -7.228 571 1HB TRP 73 1HB TRP 73 -2.047 -6.296 -5.385 572 2HB TRP 73 2HB TRP 73 -2.820 -4.976 -6.241 573 HD1 TRP 73 HD TRP 73 -4.430 -8.480 -6.302 574 HE1 TRP 73 1HE TRP 73 -6.734 -8.495 -5.016 575 HE3 TRP 73 3HE TRP 73 -4.008 -3.776 -4.417 576 HZ2 TRP 73 2HZ TRP 73 -8.091 -6.582 -3.390 577 HZ3 TRP 73 3HZ TRP 73 -5.867 -2.926 -2.990 578 HH2 TRP 73 HH TRP 73 -7.857 -4.247 -2.468 579 H ASP 74 H ASP 74 -3.962 -8.690 -8.234 580 HA ASP 74 HA ASP 74 -5.940 -8.762 -9.244 581 1HB ASP 74 1HB ASP 74 -6.103 -6.175 -8.667 582 2HB ASP 74 2HB ASP 74 -5.664 -5.952 -10.349 583 H THR 75 H THR 75 -2.946 -7.431 -10.493 584 HA THR 75 HA THR 75 -2.072 -7.290 -12.579 585 HB THR 75 HB THR 75 -1.599 -9.555 -13.363 586 HG1 THR 75 1HG THR 75 -3.860 -10.300 -11.658 587 1HG2 THR 75 1HG2 THR 75 -1.585 -8.938 -10.534 588 2HG2 THR 75 2HG2 THR 75 -2.090 -10.633 -10.734 589 3HG2 THR 75 3HG2 THR 75 -0.539 -10.081 -11.410 590 H ASP 76 H ASP 76 -4.835 -6.337 -12.512 591 HA ASP 76 HA ASP 76 -5.214 -6.309 -15.286 592 1HB ASP 76 1HB ASP 76 -6.282 -8.567 -14.371 593 2HB ASP 76 2HB ASP 76 -7.563 -7.517 -13.799 594 H GLY 77 H GLY 77 -4.837 -4.483 -13.012 595 1HA GLY 77 1HA GLY 77 -7.239 -2.849 -13.341 596 2HA GLY 77 2HA GLY 77 -6.801 -3.313 -11.709 597 H TRP 78 H TRP 78 -4.930 -2.431 -10.697 598 HA TRP 78 HA TRP 78 -3.405 -0.517 -12.299 599 1HB TRP 78 1HB TRP 78 -4.279 0.290 -9.559 600 2HB TRP 78 2HB TRP 78 -3.757 1.279 -10.908 601 HD1 TRP 78 HD TRP 78 -5.693 1.281 -13.072 602 HE1 TRP 78 1HE TRP 78 -8.319 1.517 -12.974 603 HE3 TRP 78 3HE TRP 78 -6.165 -0.147 -8.215 604 HZ2 TRP 78 2HZ TRP 78 -10.256 1.090 -10.922 605 HZ3 TRP 78 3HZ TRP 78 -8.459 -0.211 -7.241 606 HH2 TRP 78 HH TRP 78 -10.462 0.378 -8.511 607 H SER 79 H SER 79 -1.369 0.150 -11.008 608 HA SER 79 HA SER 79 -0.609 -2.053 -9.256 609 1HB SER 79 1HB SER 79 1.780 -1.223 -10.414 610 2HB SER 79 2HB SER 79 0.878 -2.661 -10.853 611 HG SER 79 HG SER 79 -0.343 -1.201 -12.379 612 H VAL 80 H VAL 80 0.582 -1.465 -7.395 613 HA VAL 80 HA VAL 80 1.037 1.425 -7.104 614 HB VAL 80 HB VAL 80 -0.801 0.727 -5.738 615 1HG1 VAL 80 1HG1 VAL 80 0.794 -1.681 -5.386 616 2HG1 VAL 80 2HG1 VAL 80 0.225 -1.040 -3.826 617 3HG1 VAL 80 3HG1 VAL 80 -0.945 -1.415 -5.114 618 1HG2 VAL 80 1HG2 VAL 80 0.394 0.973 -3.378 619 2HG2 VAL 80 2HG2 VAL 80 1.797 1.373 -4.398 620 3HG2 VAL 80 3HG2 VAL 80 0.303 2.332 -4.523 621 H THR 81 H THR 81 2.987 2.095 -6.110 622 HA THR 81 HA THR 81 4.947 -0.073 -5.732 623 HB THR 81 HB THR 81 5.486 2.709 -6.885 624 HG1 THR 81 1HG THR 81 4.883 0.068 -8.005 625 1HG2 THR 81 1HG2 THR 81 7.550 1.655 -6.160 626 2HG2 THR 81 2HG2 THR 81 7.021 0.067 -6.764 627 3HG2 THR 81 3HG2 THR 81 7.435 1.363 -7.912 628 H PHE 82 H PHE 82 6.275 0.014 -3.958 629 HA PHE 82 HA PHE 82 5.549 2.110 -2.050 630 1HB PHE 82 1HB PHE 82 6.667 -0.738 -1.943 631 2HB PHE 82 2HB PHE 82 6.812 0.305 -0.542 632 HD1 PHE 82 1HD PHE 82 4.336 1.647 -0.246 633 HD2 PHE 82 2HD PHE 82 5.010 -2.301 -1.649 634 HE1 PHE 82 1HE PHE 82 2.023 0.994 0.478 635 HE2 PHE 82 2HE PHE 82 2.697 -2.953 -0.925 636 HZ PHE 82 HZ PHE 82 1.231 -1.298 0.130 637 H HIS 83 H HIS 83 7.177 3.259 -0.882 638 HA HIS 83 HA HIS 83 9.911 2.809 -1.755 639 1HB HIS 83 1HB HIS 83 8.564 5.520 -1.901 640 2HB HIS 83 2HB HIS 83 10.255 5.190 -2.221 641 HD1 HIS 83 1HD HIS 83 10.389 3.017 -4.187 642 HD2 HIS 83 2HD HIS 83 7.242 5.789 -4.260 643 HE1 HIS 83 1HE HIS 83 9.433 2.952 -6.552 644 H LEU 84 H LEU 84 11.064 2.524 0.080 645 HA LEU 84 HA LEU 84 10.188 4.051 2.432 646 1HB LEU 84 1HB LEU 84 11.248 1.267 2.105 647 2HB LEU 84 2HB LEU 84 11.508 2.130 3.608 648 HG LEU 84 HG LEU 84 8.808 2.499 3.206 649 1HD1 LEU 84 1HD1 LEU 84 7.844 0.338 2.628 650 2HD1 LEU 84 2HD1 LEU 84 8.812 0.981 1.279 651 3HD1 LEU 84 3HD1 LEU 84 9.467 -0.319 2.304 652 1HD2 LEU 84 1HD2 LEU 84 9.061 1.885 5.329 653 2HD2 LEU 84 2HD2 LEU 84 8.969 0.199 4.764 654 3HD2 LEU 84 3HD2 LEU 84 10.554 0.983 4.970 655 H LYS 85 H LYS 85 11.947 4.743 3.918 656 HA LYS 85 HA LYS 85 14.629 4.647 3.094 657 1HB LYS 85 1HB LYS 85 14.913 7.044 2.481 658 2HB LYS 85 2HB LYS 85 14.030 6.105 1.295 659 1HG LYS 85 1HG LYS 85 11.892 6.931 2.652 660 2HG LYS 85 2HG LYS 85 12.976 8.180 3.232 661 1HD LYS 85 1HD LYS 85 13.335 7.917 0.369 662 2HD LYS 85 2HD LYS 85 11.620 8.050 0.701 663 1HE LYS 85 1HE LYS 85 12.010 10.112 2.033 664 2HE LYS 85 2HE LYS 85 13.739 9.965 1.789 665 1HZ LYS 85 1HZ LYS 85 13.518 10.949 -0.151 666 2HZ LYS 85 2HZ LYS 85 12.431 9.850 -0.679 667 3HZ LYS 85 3HZ LYS 85 11.925 11.177 0.127 668 H GLU 86 H GLU 86 15.560 4.524 5.059 669 HA GLU 86 HA GLU 86 14.230 5.447 7.336 670 1HB GLU 86 1HB GLU 86 15.973 3.542 7.094 671 2HB GLU 86 2HB GLU 86 17.195 4.796 7.173 672 1HG GLU 86 1HG GLU 86 15.154 5.073 9.294 673 2HG GLU 86 2HG GLU 86 15.989 3.534 9.366 674 H GLU 87 H GLU 87 14.309 7.396 8.415 675 HA GLU 87 HA GLU 87 16.304 9.283 7.424 676 1HB GLU 87 1HB GLU 87 13.410 9.485 7.525 677 2HB GLU 87 2HB GLU 87 14.109 10.723 8.550 678 1HG GLU 87 1HG GLU 87 15.161 10.241 5.736 679 2HG GLU 87 2HG GLU 87 13.767 11.266 6.015 680 H GLU 88 H GLU 88 16.299 11.289 9.195 681 HA GLU 88 HA GLU 88 17.531 10.184 11.411 682 1HB GLU 88 1HB GLU 88 16.684 12.922 10.541 683 2HB GLU 88 2HB GLU 88 17.017 12.721 12.249 684 1HG GLU 88 1HG GLU 88 19.085 11.378 10.701 685 2HG GLU 88 2HG GLU 88 18.907 13.024 10.126 686 H ASN 89 H ASN 89 14.380 12.002 11.205 687 HA ASN 89 HA ASN 89 13.612 11.713 13.767 688 1HB ASN 89 1HB ASN 89 12.305 12.196 11.178 689 2HB ASN 89 2HB ASN 89 11.241 11.297 12.242 690 1HD2 ASN 89 1HD2 ASN 89 10.179 13.507 11.792 691 2HD2 ASN 89 2HD2 ASN 89 10.415 14.731 12.995 692 H GLY 90 H GLY 90 12.990 9.474 10.964 693 1HA GLY 90 1HA GLY 90 13.212 7.128 12.521 694 2HA GLY 90 2HA GLY 90 11.519 7.532 12.315 695 H THR 91 H THR 91 10.643 6.324 10.692 696 HA THR 91 HA THR 91 12.310 5.888 8.304 697 HB THR 91 HB THR 91 9.990 4.280 9.498 698 HG1 THR 91 1HG THR 91 12.903 4.071 9.256 699 1HG2 THR 91 1HG2 THR 91 11.679 3.990 6.987 700 2HG2 THR 91 2HG2 THR 91 11.111 2.538 7.846 701 3HG2 THR 91 3HG2 THR 91 9.934 3.703 7.192 702 H ILE 92 H ILE 92 11.386 6.110 6.215 703 HA ILE 92 HA ILE 92 9.005 7.831 6.252 704 HB ILE 92 HB ILE 92 11.396 7.850 4.409 705 1HG1 ILE 92 1HG1 ILE 92 11.666 8.864 6.697 706 2HG1 ILE 92 2HG1 ILE 92 11.948 9.951 5.351 707 1HG2 ILE 92 1HG2 ILE 92 8.776 8.473 3.725 708 2HG2 ILE 92 2HG2 ILE 92 9.512 10.048 4.107 709 3HG2 ILE 92 3HG2 ILE 92 10.253 8.993 2.880 710 1HD1 ILE 92 1HD1 ILE 92 9.149 9.809 6.448 711 2HD1 ILE 92 2HD1 ILE 92 10.383 10.653 7.413 712 3HD1 ILE 92 3HD1 ILE 92 10.026 11.195 5.756 713 H PHE 93 H PHE 93 7.274 7.284 4.957 714 HA PHE 93 HA PHE 93 7.675 4.948 3.230 715 1HB PHE 93 1HB PHE 93 6.516 4.558 5.527 716 2HB PHE 93 2HB PHE 93 5.244 5.635 4.984 717 HD1 PHE 93 1HD PHE 93 6.140 2.302 5.290 718 HD2 PHE 93 2HD PHE 93 4.275 4.961 2.560 719 HE1 PHE 93 1HE PHE 93 4.964 0.366 4.209 720 HE2 PHE 93 2HE PHE 93 3.098 3.026 1.479 721 HZ PHE 93 HZ PHE 93 3.456 0.751 2.316 722 H THR 94 H THR 94 6.982 5.257 1.161 723 HA THR 94 HA THR 94 4.951 7.339 0.726 724 HB THR 94 HB THR 94 7.554 6.879 -0.826 725 HG1 THR 94 1HG THR 94 7.586 8.013 1.312 726 1HG2 THR 94 1HG2 THR 94 5.064 8.142 -1.615 727 2HG2 THR 94 2HG2 THR 94 6.283 9.410 -1.341 728 3HG2 THR 94 3HG2 THR 94 6.606 8.102 -2.505 729 H ILE 95 H ILE 95 3.323 6.839 -0.662 730 HA ILE 95 HA ILE 95 3.574 4.218 -1.967 731 HB ILE 95 HB ILE 95 2.011 3.880 -0.304 732 1HG1 ILE 95 1HG1 ILE 95 1.242 3.544 -2.809 733 2HG1 ILE 95 2HG1 ILE 95 0.160 3.230 -1.467 734 1HG2 ILE 95 1HG2 ILE 95 1.025 6.681 -0.860 735 2HG2 ILE 95 2HG2 ILE 95 0.117 5.513 0.129 736 3HG2 ILE 95 3HG2 ILE 95 1.744 6.031 0.633 737 1HD1 ILE 95 1HD1 ILE 95 0.289 5.815 -3.087 738 2HD1 ILE 95 2HD1 ILE 95 -0.990 4.581 -3.173 739 3HD1 ILE 95 3HD1 ILE 95 -0.779 5.542 -1.690 740 H VAL 96 H VAL 96 2.872 4.028 -4.120 741 HA VAL 96 HA VAL 96 1.993 6.530 -5.367 742 HB VAL 96 HB VAL 96 4.170 4.689 -6.378 743 1HG1 VAL 96 1HG1 VAL 96 2.424 6.453 -7.784 744 2HG1 VAL 96 2HG1 VAL 96 4.047 7.184 -7.774 745 3HG1 VAL 96 3HG1 VAL 96 3.817 5.537 -8.408 746 1HG2 VAL 96 1HG2 VAL 96 4.357 7.560 -5.403 747 2HG2 VAL 96 2HG2 VAL 96 4.881 6.126 -4.489 748 3HG2 VAL 96 3HG2 VAL 96 5.693 6.555 -6.014 749 H HIS 97 H HIS 97 -0.027 6.106 -6.095 750 HA HIS 97 HA HIS 97 -0.423 3.479 -7.332 751 1HB HIS 97 1HB HIS 97 -1.593 3.812 -5.131 752 2HB HIS 97 2HB HIS 97 -2.511 5.111 -5.866 753 HD1 HIS 97 1HD HIS 97 -4.821 4.223 -6.214 754 HD2 HIS 97 2HD HIS 97 -1.879 1.441 -7.309 755 HE1 HIS 97 1HE HIS 97 -6.061 2.220 -7.193 756 H SER 98 H SER 98 -0.745 3.601 -9.492 757 HA SER 98 HA SER 98 -2.061 6.014 -10.456 758 1HB SER 98 1HB SER 98 0.201 4.591 -11.921 759 2HB SER 98 2HB SER 98 -0.569 6.096 -12.383 760 HG SER 98 HG SER 98 0.246 6.596 -9.935 761 H GLY 99 H GLY 99 -3.167 5.680 -12.612 762 1HA GLY 99 1HA GLY 99 -3.610 3.793 -14.247 763 2HA GLY 99 2HA GLY 99 -4.108 2.889 -12.831 764 H TRP 100 H TRP 100 -4.638 6.254 -14.129 765 HA TRP 100 HA TRP 100 -7.513 5.746 -13.940 766 1HB TRP 100 1HB TRP 100 -6.296 8.313 -12.936 767 2HB TRP 100 2HB TRP 100 -7.957 7.769 -12.801 768 HD1 TRP 100 HD TRP 100 -4.524 7.269 -11.148 769 HE1 TRP 100 1HE TRP 100 -4.740 6.018 -8.835 770 HE3 TRP 100 3HE TRP 100 -9.451 6.113 -11.638 771 HZ2 TRP 100 2HZ TRP 100 -6.899 4.715 -7.499 772 HZ3 TRP 100 3HZ TRP 100 -10.537 4.849 -9.784 773 HH2 TRP 100 HH TRP 100 -9.343 4.154 -7.768 774 H LYS 101 H LYS 101 -8.635 7.807 -15.068 775 HA LYS 101 HA LYS 101 -6.945 8.681 -17.290 776 1HB LYS 101 1HB LYS 101 -9.758 7.644 -17.698 777 2HB LYS 101 2HB LYS 101 -8.593 8.106 -18.922 778 1HG LYS 101 1HG LYS 101 -7.084 6.246 -18.183 779 2HG LYS 101 2HG LYS 101 -8.257 5.781 -16.967 780 1HD LYS 101 1HD LYS 101 -9.296 4.489 -18.510 781 2HD LYS 101 2HD LYS 101 -9.730 5.939 -19.394 782 1HE LYS 101 1HE LYS 101 -7.258 5.778 -20.349 783 2HE LYS 101 2HE LYS 101 -7.349 4.110 -19.819 784 1HZ LYS 101 1HZ LYS 101 -9.401 5.340 -21.518 785 2HZ LYS 101 2HZ LYS 101 -8.108 4.545 -22.121 786 3HZ LYS 101 3HZ LYS 101 -9.197 3.751 -21.199 787 H GLN 102 H GLN 102 -9.272 9.971 -18.590 788 HA GLN 102 HA GLN 102 -9.119 12.390 -17.253 789 1HB GLN 102 1HB GLN 102 -10.963 13.080 -18.844 790 2HB GLN 102 2HB GLN 102 -9.572 12.350 -19.621 791 1HG GLN 102 1HG GLN 102 -10.708 10.324 -20.070 792 2HG GLN 102 2HG GLN 102 -11.880 10.576 -18.791 793 1HE2 GLN 102 1HE2 GLN 102 -13.182 12.676 -19.051 794 2HE2 GLN 102 2HE2 GLN 102 -13.859 12.976 -20.617 795 H GLY 103 H GLY 103 -10.559 13.513 -15.873 796 1HA GLY 103 1HA GLY 103 -12.045 11.974 -14.063 797 2HA GLY 103 2HA GLY 103 -12.077 13.718 -14.229 798 H ASP 104 H ASP 104 -13.435 10.649 -15.539 799 HA ASP 104 HA ASP 104 -16.001 11.620 -15.572 800 1HB ASP 104 1HB ASP 104 -14.843 12.907 -17.574 801 2HB ASP 104 2HB ASP 104 -14.966 11.374 -18.414 802 H THR 105 H THR 105 -13.633 9.660 -17.520 803 HA THR 105 HA THR 105 -15.289 7.586 -18.257 804 HB THR 105 HB THR 105 -13.068 6.318 -18.347 805 HG1 THR 105 1HG THR 105 -12.277 7.497 -16.388 806 1HG2 THR 105 1HG2 THR 105 -12.956 7.467 -20.334 807 2HG2 THR 105 2HG2 THR 105 -13.647 8.936 -19.606 808 3HG2 THR 105 3HG2 THR 105 -11.903 8.609 -19.464 809 H LYS 106 H LYS 106 -16.755 6.695 -16.898 810 HA LYS 106 HA LYS 106 -16.390 6.321 -14.188 811 1HB LYS 106 1HB LYS 106 -18.550 6.269 -15.436 812 2HB LYS 106 2HB LYS 106 -18.126 4.689 -16.063 813 1HG LYS 106 1HG LYS 106 -18.217 3.666 -13.911 814 2HG LYS 106 2HG LYS 106 -18.071 5.197 -13.071 815 1HD LYS 106 1HD LYS 106 -20.355 4.860 -12.825 816 2HD LYS 106 2HD LYS 106 -20.367 5.746 -14.337 817 1HE LYS 106 1HE LYS 106 -19.987 2.815 -14.670 818 2HE LYS 106 2HE LYS 106 -21.521 3.250 -13.944 819 1HZ LYS 106 1HZ LYS 106 -22.010 3.453 -16.124 820 2HZ LYS 106 2HZ LYS 106 -21.501 4.983 -15.866 821 3HZ LYS 106 3HZ LYS 106 -20.505 3.901 -16.576 822 H VAL 107 H VAL 107 -16.083 4.294 -12.950 823 HA VAL 107 HA VAL 107 -13.884 2.809 -14.115 824 HB VAL 107 HB VAL 107 -15.099 2.749 -11.345 825 1HG1 VAL 107 1HG1 VAL 107 -12.401 1.740 -12.307 826 2HG1 VAL 107 2HG1 VAL 107 -13.053 1.642 -10.654 827 3HG1 VAL 107 3HG1 VAL 107 -13.815 0.714 -11.968 828 1HG2 VAL 107 1HG2 VAL 107 -14.184 4.979 -12.033 829 2HG2 VAL 107 2HG2 VAL 107 -13.340 4.238 -10.652 830 3HG2 VAL 107 3HG2 VAL 107 -12.600 4.202 -12.270 831 H GLU 108 H GLU 108 -14.317 1.048 -15.333 832 HA GLU 108 HA GLU 108 -16.844 -0.243 -15.023 833 1HB GLU 108 1HB GLU 108 -16.208 -1.517 -16.997 834 2HB GLU 108 2HB GLU 108 -15.792 0.165 -17.260 835 1HG GLU 108 1HG GLU 108 -13.452 -0.698 -16.145 836 2HG GLU 108 2HG GLU 108 -13.992 -2.200 -16.868 837 H LYS 109 H LYS 109 -15.763 -0.555 -12.597 838 HA LYS 109 HA LYS 109 -15.461 -3.360 -12.386 839 1HB LYS 109 1HB LYS 109 -13.133 -2.514 -13.125 840 2HB LYS 109 2HB LYS 109 -13.008 -1.832 -11.516 841 1HG LYS 109 1HG LYS 109 -12.190 -3.898 -10.957 842 2HG LYS 109 2HG LYS 109 -13.881 -4.352 -10.883 843 1HD LYS 109 1HD LYS 109 -13.650 -4.861 -13.444 844 2HD LYS 109 2HD LYS 109 -11.921 -4.796 -13.166 845 1HE LYS 109 1HE LYS 109 -13.402 -6.454 -11.186 846 2HE LYS 109 2HE LYS 109 -13.498 -7.053 -12.830 847 1HZ LYS 109 1HZ LYS 109 -11.263 -6.977 -11.081 848 2HZ LYS 109 2HZ LYS 109 -11.513 -7.898 -12.406 849 3HZ LYS 109 3HZ LYS 109 -10.908 -6.389 -12.563 850 H ALA 110 H ALA 110 -14.108 -0.626 -10.427 851 HA ALA 110 HA ALA 110 -15.019 -1.451 -8.015 852 1HB ALA 110 1HB ALA 110 -13.625 0.667 -8.917 853 2HB ALA 110 2HB ALA 110 -15.180 1.477 -8.610 854 3HB ALA 110 3HB ALA 110 -14.345 0.623 -7.290 855 H GLY 111 H GLY 111 -16.745 0.872 -10.224 856 1HA GLY 111 1HA GLY 111 -19.080 0.462 -10.674 857 2HA GLY 111 2HA GLY 111 -19.274 -0.072 -9.017 858 H ALA 112 H ALA 112 -17.654 2.808 -10.546 859 HA ALA 112 HA ALA 112 -19.547 4.678 -9.865 860 1HB ALA 112 1HB ALA 112 -19.365 4.340 -7.556 861 2HB ALA 112 2HB ALA 112 -17.617 4.011 -7.640 862 3HB ALA 112 3HB ALA 112 -18.220 5.674 -7.834 863 H GLU 113 H GLU 113 -18.765 6.881 -10.280 864 HA GLU 113 HA GLU 113 -17.145 7.114 -12.361 865 1HB GLU 113 1HB GLU 113 -17.806 9.001 -10.104 866 2HB GLU 113 2HB GLU 113 -16.627 9.511 -11.296 867 1HG GLU 113 1HG GLU 113 -18.772 8.371 -12.786 868 2HG GLU 113 2HG GLU 113 -19.531 9.345 -11.542 869 H SER 114 H SER 114 -14.900 8.096 -12.611 870 HA SER 114 HA SER 114 -13.098 6.515 -11.150 871 1HB SER 114 1HB SER 114 -12.901 7.372 -13.579 872 2HB SER 114 2HB SER 114 -12.393 8.905 -12.898 873 HG SER 114 HG SER 114 -10.450 8.097 -12.485 874 H ALA 115 H ALA 115 -14.122 9.960 -11.083 875 HA ALA 115 HA ALA 115 -12.109 10.869 -9.355 876 1HB ALA 115 1HB ALA 115 -14.121 12.583 -8.877 877 2HB ALA 115 2HB ALA 115 -13.200 12.604 -10.400 878 3HB ALA 115 3HB ALA 115 -14.784 11.795 -10.330 879 H VAL 116 H VAL 116 -15.381 9.448 -8.817 880 HA VAL 116 HA VAL 116 -15.460 9.878 -6.064 881 HB VAL 116 HB VAL 116 -16.737 7.871 -7.915 882 1HG1 VAL 116 1HG1 VAL 116 -17.151 6.591 -6.113 883 2HG1 VAL 116 2HG1 VAL 116 -16.659 7.868 -4.975 884 3HG1 VAL 116 3HG1 VAL 116 -18.306 7.864 -5.649 885 1HG2 VAL 116 1HG2 VAL 116 -17.677 10.403 -6.541 886 2HG2 VAL 116 2HG2 VAL 116 -17.545 10.080 -8.286 887 3HG2 VAL 116 3HG2 VAL 116 -18.784 9.246 -7.318 888 H VAL 117 H VAL 117 -14.388 6.987 -7.984 889 HA VAL 117 HA VAL 117 -13.593 5.517 -5.736 890 HB VAL 117 HB VAL 117 -12.767 5.406 -8.642 891 1HG1 VAL 117 1HG1 VAL 117 -12.543 2.938 -7.059 892 2HG1 VAL 117 2HG1 VAL 117 -11.422 3.648 -8.246 893 3HG1 VAL 117 3HG1 VAL 117 -11.410 4.216 -6.558 894 1HG2 VAL 117 1HG2 VAL 117 -14.360 3.193 -7.931 895 2HG2 VAL 117 2HG2 VAL 117 -15.155 4.615 -7.213 896 3HG2 VAL 117 3HG2 VAL 117 -14.813 4.574 -8.959 897 H HIS 118 H HIS 118 -11.801 7.707 -7.993 898 HA HIS 118 HA HIS 118 -9.283 7.328 -7.064 899 1HB HIS 118 1HB HIS 118 -9.876 8.717 -8.988 900 2HB HIS 118 2HB HIS 118 -10.591 9.920 -7.933 901 HD1 HIS 118 1HD HIS 118 -8.849 11.166 -6.242 902 HD2 HIS 118 2HD HIS 118 -7.170 9.020 -9.431 903 HE1 HIS 118 1HE HIS 118 -6.447 11.995 -6.476 904 H GLU 119 H GLU 119 -11.750 9.655 -5.765 905 HA GLU 119 HA GLU 119 -10.091 10.513 -3.694 906 1HB GLU 119 1HB GLU 119 -13.085 10.643 -4.183 907 2HB GLU 119 2HB GLU 119 -12.386 11.278 -2.707 908 1HG GLU 119 1HG GLU 119 -10.826 12.699 -4.117 909 2HG GLU 119 2HG GLU 119 -11.661 12.130 -5.549 910 H ARG 120 H ARG 120 -12.810 8.113 -3.819 911 HA ARG 120 HA ARG 120 -12.871 7.472 -1.194 912 1HB ARG 120 1HB ARG 120 -13.781 6.317 -3.701 913 2HB ARG 120 2HB ARG 120 -13.194 5.024 -2.674 914 1HG ARG 120 1HG ARG 120 -14.668 6.647 -0.908 915 2HG ARG 120 2HG ARG 120 -15.610 6.689 -2.385 916 1HD ARG 120 1HD ARG 120 -16.421 4.779 -1.184 917 2HD ARG 120 2HD ARG 120 -15.408 4.120 -2.453 918 HE ARG 120 HE ARG 120 -13.682 4.500 -0.273 919 1HH1 ARG 120 2HH2 ARG 120 -16.624 2.672 -0.892 920 2HH1 ARG 120 1HH2 ARG 120 -16.240 1.423 0.245 921 1HH2 ARG 120 2HH1 ARG 120 -13.174 2.853 1.227 922 2HH2 ARG 120 1HH1 ARG 120 -14.264 1.527 1.458 923 H MET 121 H MET 121 -11.118 5.572 -3.771 924 HA MET 121 HA MET 121 -9.778 3.926 -2.058 925 1HB MET 121 1HB MET 121 -9.636 4.777 -4.880 926 2HB MET 121 2HB MET 121 -8.036 4.417 -4.261 927 1HG MET 121 1HG MET 121 -10.416 2.524 -3.959 928 2HG MET 121 2HG MET 121 -9.268 2.424 -5.279 929 1HE MET 121 1HE MET 121 -7.268 0.526 -4.942 930 2HE MET 121 2HE MET 121 -7.767 -0.494 -3.571 931 3HE MET 121 3HE MET 121 -8.985 0.113 -4.717 932 H ASP 122 H ASP 122 -8.705 7.096 -3.458 933 HA ASP 122 HA ASP 122 -6.185 7.138 -2.490 934 1HB ASP 122 1HB ASP 122 -7.005 8.895 -3.946 935 2HB ASP 122 2HB ASP 122 -8.245 9.360 -2.798 936 H ARG 123 H ARG 123 -9.213 8.438 -0.924 937 HA ARG 123 HA ARG 123 -8.162 9.373 1.356 938 1HB ARG 123 1HB ARG 123 -10.800 8.010 0.733 939 2HB ARG 123 2HB ARG 123 -10.464 8.502 2.380 940 1HG ARG 123 1HG ARG 123 -9.737 10.786 1.027 941 2HG ARG 123 2HG ARG 123 -10.996 10.182 -0.032 942 1HD ARG 123 1HD ARG 123 -12.223 9.835 2.400 943 2HD ARG 123 2HD ARG 123 -11.205 11.212 2.772 944 HE ARG 123 HE ARG 123 -12.414 11.790 0.287 945 1HH1 ARG 123 2HH2 ARG 123 -13.455 11.195 3.595 946 2HH1 ARG 123 1HH2 ARG 123 -14.877 12.174 3.459 947 1HH2 ARG 123 2HH1 ARG 123 -14.290 13.082 0.107 948 2HH2 ARG 123 1HH1 ARG 123 -15.355 13.255 1.461 949 H GLY 124 H GLY 124 -9.558 6.028 0.935 950 1HA GLY 124 1HA GLY 124 -8.756 5.023 3.410 951 2HA GLY 124 2HA GLY 124 -9.122 4.086 1.975 952 H TRP 125 H TRP 125 -7.042 5.272 0.253 953 HA TRP 125 HA TRP 125 -4.961 3.530 0.787 954 1HB TRP 125 1HB TRP 125 -5.570 5.650 -1.113 955 2HB TRP 125 2HB TRP 125 -3.862 5.589 -0.725 956 HD1 TRP 125 HD TRP 125 -6.030 4.222 -3.241 957 HE1 TRP 125 1HE TRP 125 -5.199 1.974 -4.345 958 HE3 TRP 125 3HE TRP 125 -2.618 3.102 0.359 959 HZ2 TRP 125 2HZ TRP 125 -3.251 0.024 -3.606 960 HZ3 TRP 125 3HZ TRP 125 -1.294 1.007 0.092 961 HH2 TRP 125 HH TRP 125 -1.566 -0.509 -1.806 962 H HIS 126 H HIS 126 -5.285 7.097 1.400 963 HA HIS 126 HA HIS 126 -2.782 7.306 2.650 964 1HB HIS 126 1HB HIS 126 -4.394 9.098 1.613 965 2HB HIS 126 2HB HIS 126 -5.076 9.161 3.227 966 HD1 HIS 126 1HD HIS 126 -1.358 8.680 2.627 967 HD2 HIS 126 2HD HIS 126 -4.029 11.673 3.852 968 HE1 HIS 126 1HE HIS 126 0.075 10.607 3.490 969 H ASP 127 H ASP 127 -6.159 6.969 3.924 970 HA ASP 127 HA ASP 127 -5.576 7.141 6.566 971 1HB ASP 127 1HB ASP 127 -7.557 5.192 5.299 972 2HB ASP 127 2HB ASP 127 -7.634 5.818 6.934 973 H LEU 128 H LEU 128 -5.410 4.325 4.302 974 HA LEU 128 HA LEU 128 -4.889 2.357 6.204 975 1HB LEU 128 1HB LEU 128 -5.611 1.827 3.985 976 2HB LEU 128 2HB LEU 128 -4.202 2.591 3.276 977 HG LEU 128 HG LEU 128 -2.790 0.843 4.469 978 1HD1 LEU 128 1HD1 LEU 128 -4.674 0.233 6.067 979 2HD1 LEU 128 2HD1 LEU 128 -5.377 -0.694 4.719 980 3HD1 LEU 128 3HD1 LEU 128 -3.764 -1.115 5.343 981 1HD2 LEU 128 1HD2 LEU 128 -4.719 -0.329 2.461 982 2HD2 LEU 128 2HD2 LEU 128 -3.468 0.859 2.023 983 3HD2 LEU 128 3HD2 LEU 128 -3.000 -0.715 2.709 984 H VAL 129 H VAL 129 -2.627 4.351 4.182 985 HA VAL 129 HA VAL 129 -0.423 3.379 5.807 986 HB VAL 129 HB VAL 129 -0.253 3.432 3.358 987 1HG1 VAL 129 1HG1 VAL 129 0.223 6.189 2.866 988 2HG1 VAL 129 2HG1 VAL 129 -1.054 5.152 2.188 989 3HG1 VAL 129 3HG1 VAL 129 -1.352 6.066 3.686 990 1HG2 VAL 129 1HG2 VAL 129 1.803 5.347 3.658 991 2HG2 VAL 129 2HG2 VAL 129 1.608 4.569 5.248 992 3HG2 VAL 129 3HG2 VAL 129 1.927 3.577 3.804 993 H ASN 130 H ASN 130 -2.364 4.866 7.250 994 HA ASN 130 HA ASN 130 -0.876 7.340 7.659 995 1HB ASN 130 1HB ASN 130 -3.712 6.887 7.228 996 2HB ASN 130 2HB ASN 130 -3.500 7.493 8.859 997 1HD2 ASN 130 1HD2 ASN 130 -2.033 8.039 5.653 998 2HD2 ASN 130 2HD2 ASN 130 -2.108 9.769 5.670 999 H GLU 131 H GLU 131 -3.378 5.295 9.364 1000 HA GLU 131 HA GLU 131 -1.574 5.277 11.658 1001 1HB GLU 131 1HB GLU 131 -3.656 5.157 13.081 1002 2HB GLU 131 2HB GLU 131 -3.471 6.669 12.215 1003 1HG GLU 131 1HG GLU 131 -5.468 6.357 11.194 1004 2HG GLU 131 2HG GLU 131 -4.894 4.861 10.484 1005 H ARG 132 H ARG 132 -3.873 3.525 9.568 1006 HA ARG 132 HA ARG 132 -4.098 1.225 11.026 1007 1HB ARG 132 1HB ARG 132 -3.949 1.481 7.979 1008 2HB ARG 132 2HB ARG 132 -4.667 0.141 8.851 1009 1HG ARG 132 1HG ARG 132 -5.703 2.826 9.634 1010 2HG ARG 132 2HG ARG 132 -6.055 2.364 7.980 1011 1HD ARG 132 1HD ARG 132 -7.890 1.425 9.096 1012 2HD ARG 132 2HD ARG 132 -6.798 0.055 9.057 1013 HE ARG 132 HE ARG 132 -6.433 1.728 11.430 1014 1HH1 ARG 132 2HH2 ARG 132 -8.283 -0.926 10.045 1015 2HH1 ARG 132 1HH2 ARG 132 -8.715 -1.595 11.583 1016 1HH2 ARG 132 2HH1 ARG 132 -7.002 0.845 13.459 1017 2HH2 ARG 132 1HH1 ARG 132 -7.982 -0.582 13.538 1018 H LEU 133 H LEU 133 -1.520 2.372 8.807 1019 HA LEU 133 HA LEU 133 -0.130 -0.156 8.959 1020 1HB LEU 133 1HB LEU 133 -0.032 0.849 6.859 1021 2HB LEU 133 2HB LEU 133 0.285 2.442 7.517 1022 HG LEU 133 HG LEU 133 2.551 1.756 8.161 1023 1HD1 LEU 133 1HD1 LEU 133 3.196 -0.359 8.344 1024 2HD1 LEU 133 2HD1 LEU 133 1.531 -0.852 7.952 1025 3HD1 LEU 133 3HD1 LEU 133 2.743 -0.702 6.657 1026 1HD2 LEU 133 1HD2 LEU 133 1.862 1.198 5.263 1027 2HD2 LEU 133 2HD2 LEU 133 2.240 2.779 5.989 1028 3HD2 LEU 133 3HD2 LEU 133 3.496 1.521 5.891 1029 H ARG 134 H ARG 134 0.202 3.233 10.161 1030 HA ARG 134 HA ARG 134 2.637 2.984 11.321 1031 1HB ARG 134 1HB ARG 134 1.264 5.094 11.146 1032 2HB ARG 134 2HB ARG 134 0.227 4.510 12.432 1033 1HG ARG 134 1HG ARG 134 2.769 4.230 13.549 1034 2HG ARG 134 2HG ARG 134 2.943 5.687 12.590 1035 1HD ARG 134 1HD ARG 134 0.591 5.279 14.488 1036 2HD ARG 134 2HD ARG 134 2.104 5.983 15.023 1037 HE ARG 134 HE ARG 134 1.205 7.328 12.638 1038 1HH1 ARG 134 2HH2 ARG 134 0.493 7.056 16.074 1039 2HH1 ARG 134 1HH2 ARG 134 -0.197 8.640 16.187 1040 1HH2 ARG 134 2HH1 ARG 134 0.295 9.418 12.787 1041 2HH2 ARG 134 1HH1 ARG 134 -0.311 9.993 14.304 1042 H GLN 135 H GLN 135 -0.571 1.865 12.450 1043 HA GLN 135 HA GLN 135 0.134 1.377 15.084 1044 1HB GLN 135 1HB GLN 135 -2.141 1.025 13.412 1045 2HB GLN 135 2HB GLN 135 -1.810 -0.555 14.094 1046 1HG GLN 135 1HG GLN 135 -1.529 1.553 16.121 1047 2HG GLN 135 2HG GLN 135 -3.114 1.602 15.376 1048 1HE2 GLN 135 1HE2 GLN 135 -4.564 0.506 16.433 1049 2HE2 GLN 135 2HE2 GLN 135 -4.351 -0.990 17.279 1050 H ILE 136 H ILE 136 0.789 -0.361 12.078 1051 HA ILE 136 HA ILE 136 1.266 -2.892 13.183 1052 HB ILE 136 HB ILE 136 2.420 -1.605 10.706 1053 1HG1 ILE 136 1HG1 ILE 136 -0.021 -1.503 10.718 1054 2HG1 ILE 136 2HG1 ILE 136 0.563 -2.631 9.510 1055 1HG2 ILE 136 1HG2 ILE 136 3.718 -3.464 10.846 1056 2HG2 ILE 136 2HG2 ILE 136 2.535 -4.360 11.829 1057 3HG2 ILE 136 3HG2 ILE 136 2.289 -4.192 10.074 1058 1HD1 ILE 136 1HD1 ILE 136 0.274 -4.440 11.411 1059 2HD1 ILE 136 2HD1 ILE 136 -0.785 -3.218 12.156 1060 3HD1 ILE 136 3HD1 ILE 136 -1.162 -3.856 10.537 1061 H VAL 137 H VAL 137 3.023 0.130 13.296 1062 HA VAL 137 HA VAL 137 5.373 -1.320 14.300 1063 HB VAL 137 HB VAL 137 6.592 0.776 13.796 1064 1HG1 VAL 137 1HG1 VAL 137 6.941 -0.799 12.145 1065 2HG1 VAL 137 2HG1 VAL 137 5.226 -0.843 11.669 1066 3HG1 VAL 137 3HG1 VAL 137 6.246 0.536 11.195 1067 1HG2 VAL 137 1HG2 VAL 137 5.610 2.530 12.479 1068 2HG2 VAL 137 2HG2 VAL 137 4.082 1.630 12.321 1069 3HG2 VAL 137 3HG2 VAL 137 4.577 2.271 13.906 1070 H GLU 138 H GLU 138 2.836 1.085 14.935 1071 HA GLU 138 HA GLU 138 4.074 1.755 17.450 1072 1HB GLU 138 1HB GLU 138 2.042 2.946 15.679 1073 2HB GLU 138 2HB GLU 138 1.566 2.998 17.364 1074 1HG GLU 138 1HG GLU 138 4.403 3.715 16.999 1075 2HG GLU 138 2HG GLU 138 3.340 4.764 16.082 Start of MODEL 20 1 1H MET 1 H MET 1 -1.436 17.031 -14.693 2 HA MET 1 HA MET 1 -1.803 18.429 -17.128 3 1HB MET 1 1HB MET 1 0.544 17.648 -17.559 4 2HB MET 1 2HB MET 1 0.391 18.316 -15.946 5 1HG MET 1 1HG MET 1 0.243 16.072 -14.959 6 2HG MET 1 2HG MET 1 0.162 15.328 -16.544 7 1HE MET 1 1HE MET 1 2.770 14.997 -13.983 8 2HE MET 1 2HE MET 1 1.822 13.990 -15.104 9 3HE MET 1 3HE MET 1 3.576 14.181 -15.344 10 H THR 2 H THR 2 -2.026 15.054 -16.039 11 HA THR 2 HA THR 2 -3.205 14.321 -18.557 12 HB THR 2 HB THR 2 -1.502 12.430 -18.867 13 HG1 THR 2 1HG THR 2 -0.152 12.343 -17.114 14 1HG2 THR 2 1HG2 THR 2 -1.337 14.722 -20.095 15 2HG2 THR 2 2HG2 THR 2 -0.122 15.153 -18.868 16 3HG2 THR 2 3HG2 THR 2 0.167 13.780 -19.963 17 H ARG 3 H ARG 3 -5.036 13.409 -17.876 18 HA ARG 3 HA ARG 3 -6.426 12.204 -16.742 19 1HB ARG 3 1HB ARG 3 -3.935 10.475 -16.457 20 2HB ARG 3 2HB ARG 3 -5.459 9.964 -15.759 21 1HG ARG 3 1HG ARG 3 -6.007 9.113 -17.790 22 2HG ARG 3 2HG ARG 3 -6.163 10.761 -18.365 23 1HD ARG 3 1HD ARG 3 -3.426 9.449 -18.278 24 2HD ARG 3 2HD ARG 3 -4.517 9.101 -19.605 25 HE ARG 3 HE ARG 3 -4.347 11.955 -19.167 26 1HH1 ARG 3 2HH2 ARG 3 -2.571 9.244 -20.537 27 2HH1 ARG 3 1HH2 ARG 3 -1.691 10.224 -21.662 28 1HH2 ARG 3 2HH1 ARG 3 -3.186 13.249 -20.650 29 2HH2 ARG 3 1HH1 ARG 3 -2.043 12.518 -21.726 30 H LEU 4 H LEU 4 -6.862 11.089 -14.423 31 HA LEU 4 HA LEU 4 -6.595 13.009 -12.505 32 1HB LEU 4 1HB LEU 4 -6.884 10.022 -12.155 33 2HB LEU 4 2HB LEU 4 -7.165 11.214 -10.902 34 HG LEU 4 HG LEU 4 -8.697 11.225 -13.508 35 1HD1 LEU 4 1HD1 LEU 4 -10.427 10.231 -11.589 36 2HD1 LEU 4 2HD1 LEU 4 -9.650 9.306 -12.897 37 3HD1 LEU 4 3HD1 LEU 4 -8.909 9.354 -11.279 38 1HD2 LEU 4 1HD2 LEU 4 -9.045 12.573 -10.832 39 2HD2 LEU 4 2HD2 LEU 4 -8.928 13.305 -12.451 40 3HD2 LEU 4 3HD2 LEU 4 -10.388 12.396 -11.988 41 HA PRO 5 HA PRO 5 -2.554 12.710 -11.023 42 1HB PRO 5 1HB PRO 5 -2.821 13.650 -8.471 43 2HB PRO 5 2HB PRO 5 -2.745 14.696 -9.874 44 1HG PRO 5 1HG PRO 5 -5.093 13.960 -8.236 45 2HG PRO 5 2HG PRO 5 -4.908 15.301 -9.349 46 1HD PRO 5 1HD PRO 5 -6.342 12.863 -9.823 47 2HD PRO 5 2HD PRO 5 -6.059 14.153 -10.975 48 H ASP 6 H ASP 6 -1.076 11.287 -10.233 49 HA ASP 6 HA ASP 6 -2.010 8.842 -9.515 50 1HB ASP 6 1HB ASP 6 0.301 8.373 -8.756 51 2HB ASP 6 2HB ASP 6 0.304 9.276 -10.257 52 H ILE 7 H ILE 7 -2.362 7.784 -7.464 53 HA ILE 7 HA ILE 7 -2.931 9.584 -5.293 54 HB ILE 7 HB ILE 7 -3.351 6.645 -5.780 55 1HG1 ILE 7 1HG1 ILE 7 -5.363 8.858 -5.305 56 2HG1 ILE 7 2HG1 ILE 7 -4.802 8.396 -6.900 57 1HG2 ILE 7 1HG2 ILE 7 -3.126 7.981 -3.231 58 2HG2 ILE 7 2HG2 ILE 7 -4.783 7.382 -3.479 59 3HG2 ILE 7 3HG2 ILE 7 -3.405 6.261 -3.596 60 1HD1 ILE 7 1HD1 ILE 7 -6.751 7.093 -6.637 61 2HD1 ILE 7 2HD1 ILE 7 -5.461 5.954 -6.185 62 3HD1 ILE 7 3HD1 ILE 7 -6.415 6.765 -4.920 63 H LYS 8 H LYS 8 -0.432 10.125 -5.445 64 HA LYS 8 HA LYS 8 1.162 8.162 -4.032 65 1HB LYS 8 1HB LYS 8 2.272 9.195 -5.850 66 2HB LYS 8 2HB LYS 8 1.752 10.800 -5.378 67 1HG LYS 8 1HG LYS 8 3.129 10.644 -3.299 68 2HG LYS 8 2HG LYS 8 3.638 9.029 -3.751 69 1HD LYS 8 1HD LYS 8 5.277 9.861 -5.079 70 2HD LYS 8 2HD LYS 8 4.113 10.796 -5.997 71 1HE LYS 8 1HE LYS 8 4.425 12.728 -4.706 72 2HE LYS 8 2HE LYS 8 4.883 11.831 -3.272 73 1HZ LYS 8 1HZ LYS 8 7.000 11.732 -3.939 74 2HZ LYS 8 2HZ LYS 8 6.649 11.552 -5.524 75 3HZ LYS 8 3HZ LYS 8 6.613 13.036 -4.843 76 H LYS 9 H LYS 9 1.518 8.156 -1.869 77 HA LYS 9 HA LYS 9 0.983 10.638 -0.421 78 1HB LYS 9 1HB LYS 9 -0.193 7.929 0.272 79 2HB LYS 9 2HB LYS 9 -0.232 9.333 1.319 80 1HG LYS 9 1HG LYS 9 -1.285 9.515 -1.524 81 2HG LYS 9 2HG LYS 9 -2.289 8.851 -0.251 82 1HD LYS 9 1HD LYS 9 -1.710 11.017 1.088 83 2HD LYS 9 2HD LYS 9 -1.122 11.655 -0.435 84 1HE LYS 9 1HE LYS 9 -3.366 11.191 -1.476 85 2HE LYS 9 2HE LYS 9 -3.947 10.600 0.067 86 1HZ LYS 9 1HZ LYS 9 -3.449 13.295 -0.768 87 2HZ LYS 9 2HZ LYS 9 -4.523 12.723 0.321 88 3HZ LYS 9 3HZ LYS 9 -2.967 12.959 0.756 89 H GLU 10 H GLU 10 2.093 10.754 1.663 90 HA GLU 10 HA GLU 10 4.058 8.680 2.075 91 1HB GLU 10 1HB GLU 10 5.221 10.272 0.608 92 2HB GLU 10 2HB GLU 10 4.775 11.612 1.644 93 1HG GLU 10 1HG GLU 10 6.287 9.286 2.849 94 2HG GLU 10 2HG GLU 10 7.166 10.445 1.872 95 H VAL 11 H VAL 11 4.422 8.307 4.255 96 HA VAL 11 HA VAL 11 3.509 10.389 6.105 97 HB VAL 11 HB VAL 11 2.744 8.315 7.499 98 1HG1 VAL 11 1HG1 VAL 11 0.785 9.327 7.180 99 2HG1 VAL 11 2HG1 VAL 11 1.446 10.151 5.748 100 3HG1 VAL 11 3HG1 VAL 11 0.641 8.573 5.574 101 1HG2 VAL 11 1HG2 VAL 11 3.640 6.883 5.403 102 2HG2 VAL 11 2HG2 VAL 11 2.304 6.345 6.448 103 3HG2 VAL 11 3HG2 VAL 11 1.954 7.125 4.887 104 H ARG 12 H ARG 12 4.462 10.118 8.319 105 HA ARG 12 HA ARG 12 6.983 8.678 8.129 106 1HB ARG 12 1HB ARG 12 7.369 11.130 7.932 107 2HB ARG 12 2HB ARG 12 6.479 11.409 9.416 108 1HG ARG 12 1HG ARG 12 8.239 9.699 10.454 109 2HG ARG 12 2HG ARG 12 9.198 10.126 9.051 110 1HD ARG 12 1HD ARG 12 9.687 12.207 9.873 111 2HD ARG 12 2HD ARG 12 8.032 12.501 10.370 112 HE ARG 12 HE ARG 12 9.306 10.534 12.085 113 1HH1 ARG 12 2HH2 ARG 12 9.071 13.990 11.466 114 2HH1 ARG 12 1HH2 ARG 12 9.484 14.438 13.087 115 1HH2 ARG 12 2HH1 ARG 12 9.851 11.125 14.225 116 2HH2 ARG 12 1HH1 ARG 12 9.931 12.797 14.667 117 H PHE 13 H PHE 13 7.210 7.164 9.753 118 HA PHE 13 HA PHE 13 5.649 7.624 12.198 119 1HB PHE 13 1HB PHE 13 6.419 5.002 10.781 120 2HB PHE 13 2HB PHE 13 5.422 5.112 12.218 121 HD1 PHE 13 1HD PHE 13 3.736 7.490 11.355 122 HD2 PHE 13 2HD PHE 13 4.898 3.954 9.317 123 HE1 PHE 13 1HE PHE 13 1.683 7.643 9.919 124 HE2 PHE 13 2HE PHE 13 2.845 4.107 7.881 125 HZ PHE 13 HZ PHE 13 1.262 5.950 8.199 126 H ASN 14 H ASN 14 6.607 6.916 14.195 127 HA ASN 14 HA ASN 14 9.457 7.036 14.075 128 1HB ASN 14 1HB ASN 14 7.415 7.673 15.986 129 2HB ASN 14 2HB ASN 14 8.390 6.420 16.728 130 1HD2 ASN 14 1HD2 ASN 14 9.390 7.661 18.216 131 2HD2 ASN 14 2HD2 ASN 14 10.533 8.912 17.861 132 H ALA 15 H ALA 15 10.441 5.069 13.498 133 HA ALA 15 HA ALA 15 10.479 2.927 15.232 134 1HB ALA 15 1HB ALA 15 8.475 1.955 14.820 135 2HB ALA 15 2HB ALA 15 8.214 2.907 13.338 136 3HB ALA 15 3HB ALA 15 9.212 1.434 13.286 137 HA PRO 16 HA PRO 16 13.714 1.992 12.519 138 1HB PRO 16 1HB PRO 16 14.147 -0.675 12.932 139 2HB PRO 16 2HB PRO 16 14.711 0.568 14.030 140 1HG PRO 16 1HG PRO 16 12.437 -1.294 14.349 141 2HG PRO 16 2HG PRO 16 13.270 -0.359 15.575 142 1HD PRO 16 1HD PRO 16 10.707 0.217 14.422 143 2HD PRO 16 2HD PRO 16 11.592 1.213 15.562 144 H ILE 17 H ILE 17 13.915 1.976 10.374 145 HA ILE 17 HA ILE 17 11.841 1.156 8.785 146 HB ILE 17 HB ILE 17 13.656 2.673 8.141 147 1HG1 ILE 17 1HG1 ILE 17 13.618 0.429 6.135 148 2HG1 ILE 17 2HG1 ILE 17 12.141 1.290 6.523 149 1HG2 ILE 17 1HG2 ILE 17 15.430 0.359 7.467 150 2HG2 ILE 17 2HG2 ILE 17 15.836 2.064 7.774 151 3HG2 ILE 17 3HG2 ILE 17 15.423 0.989 9.132 152 1HD1 ILE 17 1HD1 ILE 17 13.945 2.110 4.622 153 2HD1 ILE 17 2HD1 ILE 17 12.816 3.204 5.457 154 3HD1 ILE 17 3HD1 ILE 17 14.494 3.048 6.031 155 H GLU 18 H GLU 18 14.339 -0.745 10.373 156 HA GLU 18 HA GLU 18 14.300 -2.938 8.686 157 1HB GLU 18 1HB GLU 18 15.689 -2.222 10.938 158 2HB GLU 18 2HB GLU 18 14.635 -3.452 11.607 159 1HG GLU 18 1HG GLU 18 15.845 -4.214 9.003 160 2HG GLU 18 2HG GLU 18 17.024 -3.941 10.270 161 H LYS 19 H LYS 19 12.167 -1.923 11.380 162 HA LYS 19 HA LYS 19 10.771 -4.412 11.455 163 1HB LYS 19 1HB LYS 19 11.100 -2.684 13.342 164 2HB LYS 19 2HB LYS 19 9.804 -1.783 12.582 165 1HG LYS 19 1HG LYS 19 8.218 -3.548 12.915 166 2HG LYS 19 2HG LYS 19 9.469 -4.736 13.218 167 1HD LYS 19 1HD LYS 19 9.969 -3.832 15.385 168 2HD LYS 19 2HD LYS 19 9.135 -2.328 15.046 169 1HE LYS 19 1HE LYS 19 7.474 -3.354 16.290 170 2HE LYS 19 2HE LYS 19 7.031 -3.983 14.716 171 1HZ LYS 19 1HZ LYS 19 7.940 -6.005 15.198 172 2HZ LYS 19 2HZ LYS 19 8.973 -5.436 16.328 173 3HZ LYS 19 3HZ LYS 19 7.382 -5.578 16.672 174 H VAL 20 H VAL 20 9.955 -1.065 10.294 175 HA VAL 20 HA VAL 20 7.505 -1.716 9.202 176 HB VAL 20 HB VAL 20 9.484 0.322 8.170 177 1HG1 VAL 20 1HG1 VAL 20 6.448 0.233 8.129 178 2HG1 VAL 20 2HG1 VAL 20 7.449 1.601 7.583 179 3HG1 VAL 20 3HG1 VAL 20 7.535 0.039 6.733 180 1HG2 VAL 20 1HG2 VAL 20 8.415 0.087 10.792 181 2HG2 VAL 20 2HG2 VAL 20 9.349 1.433 10.097 182 3HG2 VAL 20 3HG2 VAL 20 7.571 1.438 9.997 183 H TRP 21 H TRP 21 10.829 -1.976 7.843 184 HA TRP 21 HA TRP 21 10.075 -2.601 5.235 185 1HB TRP 21 1HB TRP 21 12.319 -1.935 5.812 186 2HB TRP 21 2HB TRP 21 12.527 -3.341 6.837 187 HD1 TRP 21 HD TRP 21 14.094 -5.026 5.615 188 HE1 TRP 21 1HE TRP 21 14.494 -5.961 3.180 189 HE3 TRP 21 3HE TRP 21 10.564 -2.142 3.362 190 HZ2 TRP 21 2HZ TRP 21 13.315 -5.402 0.642 191 HZ3 TRP 21 3HZ TRP 21 10.252 -2.398 0.903 192 HH2 TRP 21 HH TRP 21 11.558 -3.960 -0.450 193 H GLU 22 H GLU 22 10.685 -4.637 8.169 194 HA GLU 22 HA GLU 22 10.196 -7.040 6.812 195 1HB GLU 22 1HB GLU 22 11.052 -6.217 9.406 196 2HB GLU 22 2HB GLU 22 9.650 -7.236 9.659 197 1HG GLU 22 1HG GLU 22 10.980 -8.696 7.741 198 2HG GLU 22 2HG GLU 22 12.335 -7.942 8.556 199 H ALA 23 H ALA 23 8.149 -4.553 8.195 200 HA ALA 23 HA ALA 23 5.871 -6.309 8.457 201 1HB ALA 23 1HB ALA 23 6.125 -3.283 8.695 202 2HB ALA 23 2HB ALA 23 4.738 -4.271 9.213 203 3HB ALA 23 3HB ALA 23 6.307 -4.437 10.038 204 H VAL 24 H VAL 24 7.526 -4.707 5.939 205 HA VAL 24 HA VAL 24 5.067 -4.702 4.328 206 HB VAL 24 HB VAL 24 5.868 -2.847 3.115 207 1HG1 VAL 24 1HG1 VAL 24 4.996 -1.647 4.794 208 2HG1 VAL 24 2HG1 VAL 24 5.716 -2.705 6.032 209 3HG1 VAL 24 3HG1 VAL 24 6.671 -1.377 5.330 210 1HG2 VAL 24 1HG2 VAL 24 8.032 -2.465 2.740 211 2HG2 VAL 24 2HG2 VAL 24 8.302 -2.127 4.466 212 3HG2 VAL 24 3HG2 VAL 24 8.440 -3.792 3.853 213 H SER 25 H SER 25 7.562 -6.593 5.073 214 HA SER 25 HA SER 25 8.088 -7.240 2.277 215 1HB SER 25 1HB SER 25 10.281 -7.984 2.864 216 2HB SER 25 2HB SER 25 10.075 -6.447 3.680 217 HG SER 25 HG SER 25 10.941 -7.891 5.191 218 H THR 26 H THR 26 6.372 -8.104 5.026 219 HA THR 26 HA THR 26 6.423 -10.949 4.261 220 HB THR 26 HB THR 26 5.945 -11.380 6.710 221 HG1 THR 26 1HG THR 26 6.711 -8.558 6.878 222 1HG2 THR 26 1HG2 THR 26 8.207 -10.309 7.584 223 2HG2 THR 26 2HG2 THR 26 8.284 -11.588 6.348 224 3HG2 THR 26 3HG2 THR 26 8.453 -9.880 5.874 225 H SER 27 H SER 27 4.361 -12.115 4.752 226 HA SER 27 HA SER 27 2.262 -10.581 3.651 227 1HB SER 27 1HB SER 27 1.813 -13.292 4.897 228 2HB SER 27 2HB SER 27 1.118 -12.621 3.435 229 HG SER 27 HG SER 27 3.471 -14.068 3.778 230 H GLU 28 H GLU 28 2.967 -12.098 6.863 231 HA GLU 28 HA GLU 28 0.557 -11.423 8.036 232 1HB GLU 28 1HB GLU 28 2.987 -12.678 8.800 233 2HB GLU 28 2HB GLU 28 2.762 -11.371 9.945 234 1HG GLU 28 1HG GLU 28 0.404 -13.142 9.265 235 2HG GLU 28 2HG GLU 28 1.629 -13.747 10.361 236 H GLY 29 H GLY 29 3.571 -9.582 7.514 237 1HA GLY 29 1HA GLY 29 2.886 -7.437 9.284 238 2HA GLY 29 2HA GLY 29 4.174 -7.479 8.097 239 H LEU 30 H LEU 30 2.509 -8.167 5.775 240 HA LEU 30 HA LEU 30 1.622 -5.524 5.166 241 1HB LEU 30 1HB LEU 30 2.198 -8.021 3.756 242 2HB LEU 30 2HB LEU 30 0.814 -7.166 3.103 243 HG LEU 30 HG LEU 30 3.205 -5.492 3.616 244 1HD1 LEU 30 1HD1 LEU 30 4.052 -7.760 2.743 245 2HD1 LEU 30 2HD1 LEU 30 3.275 -7.302 1.208 246 3HD1 LEU 30 3HD1 LEU 30 4.564 -6.282 1.892 247 1HD2 LEU 30 1HD2 LEU 30 2.392 -4.219 1.918 248 2HD2 LEU 30 2HD2 LEU 30 1.803 -5.620 0.992 249 3HD2 LEU 30 3HD2 LEU 30 0.879 -5.028 2.394 250 H ALA 31 H ALA 31 0.000 -8.771 5.366 251 HA ALA 31 HA ALA 31 -2.572 -7.847 4.966 252 1HB ALA 31 1HB ALA 31 -1.574 -10.248 5.088 253 2HB ALA 31 2HB ALA 31 -1.889 -10.126 6.835 254 3HB ALA 31 3HB ALA 31 -3.234 -9.992 5.677 255 H PHE 32 H PHE 32 -0.396 -7.341 7.629 256 HA PHE 32 HA PHE 32 -2.228 -7.149 9.720 257 1HB PHE 32 1HB PHE 32 0.517 -6.913 9.269 258 2HB PHE 32 2HB PHE 32 0.092 -5.237 9.556 259 HD1 PHE 32 1HD PHE 32 -2.049 -5.573 11.605 260 HD2 PHE 32 2HD PHE 32 1.711 -7.497 11.187 261 HE1 PHE 32 1HE PHE 32 -1.982 -5.979 14.081 262 HE2 PHE 32 2HE PHE 32 1.778 -7.903 13.663 263 HZ PHE 32 HZ PHE 32 -0.069 -7.139 15.080 264 H TRP 33 H TRP 33 -1.623 -5.084 6.954 265 HA TRP 33 HA TRP 33 -3.508 -3.151 8.085 266 1HB TRP 33 1HB TRP 33 -2.187 -1.309 7.100 267 2HB TRP 33 2HB TRP 33 -1.413 -2.102 8.458 268 HD1 TRP 33 HD TRP 33 0.799 -3.641 7.862 269 HE1 TRP 33 1HE TRP 33 2.544 -3.629 5.882 270 HE3 TRP 33 3HE TRP 33 -2.049 -0.891 4.671 271 HZ2 TRP 33 2HZ TRP 33 2.537 -2.496 3.263 272 HZ3 TRP 33 3HZ TRP 33 -1.105 -0.376 2.422 273 HH2 TRP 33 HH TRP 33 1.105 -1.131 1.700 274 H PHE 34 H PHE 34 -1.647 -4.330 5.199 275 HA PHE 34 HA PHE 34 -3.492 -3.283 3.342 276 1HB PHE 34 1HB PHE 34 -1.194 -3.803 2.698 277 2HB PHE 34 2HB PHE 34 -1.288 -5.409 3.393 278 HD1 PHE 34 1HD PHE 34 -0.876 -6.874 1.644 279 HD2 PHE 34 2HD PHE 34 -3.621 -3.694 1.045 280 HE1 PHE 34 1HE PHE 34 -1.473 -7.813 -0.606 281 HE2 PHE 34 2HE PHE 34 -4.218 -4.633 -1.205 282 HZ PHE 34 HZ PHE 34 -3.137 -6.681 -2.003 283 H MET 35 H MET 35 -2.691 -6.765 3.294 284 HA MET 35 HA MET 35 -5.161 -7.650 4.231 285 1HB MET 35 1HB MET 35 -4.898 -6.996 1.306 286 2HB MET 35 2HB MET 35 -5.630 -8.548 1.660 287 1HG MET 35 1HG MET 35 -7.591 -7.521 2.161 288 2HG MET 35 2HG MET 35 -6.810 -6.643 3.461 289 1HE MET 35 1HE MET 35 -7.682 -5.741 -0.756 290 2HE MET 35 2HE MET 35 -5.910 -5.575 -0.701 291 3HE MET 35 3HE MET 35 -6.680 -7.086 -0.159 292 H GLU 36 H GLU 36 -5.479 -10.082 3.680 293 HA GLU 36 HA GLU 36 -3.127 -11.387 4.251 294 1HB GLU 36 1HB GLU 36 -5.851 -12.275 3.284 295 2HB GLU 36 2HB GLU 36 -4.562 -13.455 3.418 296 1HG GLU 36 1HG GLU 36 -4.628 -11.777 5.808 297 2HG GLU 36 2HG GLU 36 -6.215 -12.458 5.512 298 H ASN 37 H ASN 37 -1.552 -12.444 3.024 299 HA ASN 37 HA ASN 37 -2.016 -12.870 0.249 300 1HB ASN 37 1HB ASN 37 -0.035 -11.508 -0.494 301 2HB ASN 37 2HB ASN 37 -1.310 -10.504 0.167 302 1HD2 ASN 37 1HD2 ASN 37 -1.156 -9.813 2.387 303 2HD2 ASN 37 2HD2 ASN 37 0.391 -9.543 3.119 304 H ASP 38 H ASP 38 0.566 -13.404 -0.630 305 HA ASP 38 HA ASP 38 1.668 -15.088 1.478 306 1HB ASP 38 1HB ASP 38 0.386 -16.057 -0.742 307 2HB ASP 38 2HB ASP 38 2.013 -15.920 -1.380 308 H LEU 39 H LEU 39 2.331 -12.303 0.500 309 HA LEU 39 HA LEU 39 4.550 -12.426 -1.229 310 1HB LEU 39 1HB LEU 39 3.099 -10.454 -0.819 311 2HB LEU 39 2HB LEU 39 3.796 -10.301 0.781 312 HG LEU 39 HG LEU 39 5.949 -10.396 -1.096 313 1HD1 LEU 39 1HD1 LEU 39 4.202 -9.738 -2.757 314 2HD1 LEU 39 2HD1 LEU 39 3.919 -8.263 -1.802 315 3HD1 LEU 39 3HD1 LEU 39 5.508 -8.547 -2.552 316 1HD2 LEU 39 1HD2 LEU 39 6.707 -8.587 0.069 317 2HD2 LEU 39 2HD2 LEU 39 5.094 -7.844 0.196 318 3HD2 LEU 39 3HD2 LEU 39 5.525 -9.219 1.240 319 H LYS 40 H LYS 40 6.821 -12.126 -0.723 320 HA LYS 40 HA LYS 40 7.599 -12.534 2.027 321 1HB LYS 40 1HB LYS 40 7.798 -14.672 -0.058 322 2HB LYS 40 2HB LYS 40 9.126 -14.491 1.071 323 1HG LYS 40 1HG LYS 40 6.877 -14.311 2.730 324 2HG LYS 40 2HG LYS 40 6.387 -15.503 1.542 325 1HD LYS 40 1HD LYS 40 7.477 -16.697 3.347 326 2HD LYS 40 2HD LYS 40 8.554 -16.748 1.966 327 1HE LYS 40 1HE LYS 40 10.043 -15.144 2.896 328 2HE LYS 40 2HE LYS 40 8.833 -14.511 3.996 329 1HZ LYS 40 1HZ LYS 40 8.907 -16.873 4.953 330 2HZ LYS 40 2HZ LYS 40 10.355 -16.984 4.205 331 3HZ LYS 40 3HZ LYS 40 10.105 -15.830 5.333 332 H ALA 41 H ALA 41 7.733 -10.511 -0.253 333 HA ALA 41 HA ALA 41 9.201 -9.122 -1.158 334 1HB ALA 41 1HB ALA 41 11.522 -9.355 0.405 335 2HB ALA 41 2HB ALA 41 10.161 -8.240 0.678 336 3HB ALA 41 3HB ALA 41 10.195 -9.821 1.496 337 H GLU 42 H GLU 42 9.111 -10.934 -2.906 338 HA GLU 42 HA GLU 42 11.848 -11.450 -3.584 339 1HB GLU 42 1HB GLU 42 10.445 -13.494 -2.327 340 2HB GLU 42 2HB GLU 42 10.188 -13.864 -4.020 341 1HG GLU 42 1HG GLU 42 12.459 -14.230 -4.440 342 2HG GLU 42 2HG GLU 42 12.985 -13.125 -3.186 343 H THR 43 H THR 43 11.942 -10.494 -5.571 344 HA THR 43 HA THR 43 9.755 -9.922 -7.161 345 HB THR 43 HB THR 43 12.363 -9.207 -7.115 346 HG1 THR 43 1HG THR 43 11.795 -8.350 -9.288 347 1HG2 THR 43 1HG2 THR 43 13.572 -10.068 -9.024 348 2HG2 THR 43 2HG2 THR 43 13.012 -11.503 -8.133 349 3HG2 THR 43 3HG2 THR 43 12.151 -10.973 -9.598 350 H GLY 44 H GLY 44 8.651 -10.888 -8.816 351 1HA GLY 44 1HA GLY 44 7.979 -12.519 -10.222 352 2HA GLY 44 2HA GLY 44 9.554 -13.273 -10.077 353 H HIS 45 H HIS 45 7.514 -12.509 -7.241 354 HA HIS 45 HA HIS 45 7.238 -15.394 -6.836 355 1HB HIS 45 1HB HIS 45 8.580 -14.299 -5.139 356 2HB HIS 45 2HB HIS 45 7.329 -13.104 -4.854 357 HD1 HIS 45 1HD HIS 45 7.017 -16.927 -5.039 358 HD2 HIS 45 2HD HIS 45 6.355 -13.747 -2.384 359 HE1 HIS 45 1HE HIS 45 5.938 -17.942 -2.962 360 H HIS 46 H HIS 46 5.354 -15.521 -8.231 361 HA HIS 46 HA HIS 46 3.141 -13.886 -7.954 362 1HB HIS 46 1HB HIS 46 1.931 -15.901 -8.976 363 2HB HIS 46 2HB HIS 46 3.231 -15.164 -9.892 364 HD1 HIS 46 1HD HIS 46 5.380 -16.562 -10.294 365 HD2 HIS 46 2HD HIS 46 2.487 -18.509 -7.962 366 HE1 HIS 46 1HE HIS 46 6.110 -19.002 -10.140 367 H PHE 47 H PHE 47 2.122 -13.478 -6.048 368 HA PHE 47 HA PHE 47 1.574 -15.808 -4.347 369 1HB PHE 47 1HB PHE 47 1.639 -14.150 -2.493 370 2HB PHE 47 2HB PHE 47 3.111 -14.000 -3.433 371 HD1 PHE 47 1HD PHE 47 3.332 -12.110 -5.066 372 HD2 PHE 47 2HD PHE 47 0.120 -12.338 -2.303 373 HE1 PHE 47 1HE PHE 47 2.871 -9.665 -5.400 374 HE2 PHE 47 2HE PHE 47 -0.341 -9.894 -2.637 375 HZ PHE 47 HZ PHE 47 1.040 -8.586 -4.182 376 H HIS 48 H HIS 48 -0.533 -16.093 -3.529 377 HA HIS 48 HA HIS 48 -2.556 -14.793 -5.082 378 1HB HIS 48 1HB HIS 48 -2.576 -16.970 -2.987 379 2HB HIS 48 2HB HIS 48 -4.056 -16.304 -3.649 380 HD1 HIS 48 1HD HIS 48 -0.999 -18.308 -4.665 381 HD2 HIS 48 2HD HIS 48 -4.734 -17.188 -6.212 382 HE1 HIS 48 1HE HIS 48 -1.338 -19.687 -6.785 383 H LEU 49 H LEU 49 -4.477 -13.733 -4.084 384 HA LEU 49 HA LEU 49 -3.802 -12.476 -1.522 385 1HB LEU 49 1HB LEU 49 -3.279 -10.981 -3.424 386 2HB LEU 49 2HB LEU 49 -4.952 -11.075 -3.939 387 HG LEU 49 HG LEU 49 -5.411 -10.224 -1.462 388 1HD1 LEU 49 1HD1 LEU 49 -3.080 -10.305 -0.741 389 2HD1 LEU 49 2HD1 LEU 49 -2.630 -9.158 -2.026 390 3HD1 LEU 49 3HD1 LEU 49 -3.705 -8.639 -0.706 391 1HD2 LEU 49 1HD2 LEU 49 -6.157 -9.084 -3.461 392 2HD2 LEU 49 2HD2 LEU 49 -5.430 -7.912 -2.335 393 3HD2 LEU 49 3HD2 LEU 49 -4.516 -8.463 -3.759 394 H GLN 50 H GLN 50 -5.438 -12.474 -0.034 395 HA GLN 50 HA GLN 50 -7.944 -13.592 -1.001 396 1HB GLN 50 1HB GLN 50 -6.645 -13.588 1.753 397 2HB GLN 50 2HB GLN 50 -8.298 -14.106 1.491 398 1HG GLN 50 1HG GLN 50 -6.608 -15.400 -0.477 399 2HG GLN 50 2HG GLN 50 -5.887 -15.621 1.106 400 1HE2 GLN 50 1HE2 GLN 50 -8.717 -16.121 -0.886 401 2HE2 GLN 50 2HE2 GLN 50 -9.478 -17.349 0.069 402 H SER 51 H SER 51 -8.532 -11.385 -1.813 403 HA SER 51 HA SER 51 -8.893 -9.378 0.182 404 1HB SER 51 1HB SER 51 -9.238 -7.928 -1.583 405 2HB SER 51 2HB SER 51 -8.357 -9.184 -2.430 406 HG SER 51 HG SER 51 -10.351 -10.063 -3.190 407 HA PRO 52 HA PRO 52 -13.092 -10.175 1.005 408 1HB PRO 52 1HB PRO 52 -14.194 -7.694 1.324 409 2HB PRO 52 2HB PRO 52 -13.233 -8.482 2.560 410 1HG PRO 52 1HG PRO 52 -12.480 -6.257 0.764 411 2HG PRO 52 2HG PRO 52 -11.719 -6.768 2.258 412 1HD PRO 52 1HD PRO 52 -10.778 -7.265 -0.406 413 2HD PRO 52 2HD PRO 52 -10.081 -7.874 1.083 414 H PHE 53 H PHE 53 -12.224 -8.766 -1.864 415 HA PHE 53 HA PHE 53 -14.978 -9.059 -2.838 416 1HB PHE 53 1HB PHE 53 -13.249 -6.876 -2.909 417 2HB PHE 53 2HB PHE 53 -12.832 -7.655 -4.423 418 HD1 PHE 53 1HD PHE 53 -14.653 -5.089 -3.239 419 HD2 PHE 53 2HD PHE 53 -15.235 -8.574 -5.587 420 HE1 PHE 53 1HE PHE 53 -16.638 -4.016 -4.337 421 HE2 PHE 53 2HE PHE 53 -17.221 -7.502 -6.686 422 HZ PHE 53 HZ PHE 53 -17.899 -5.236 -6.048 423 H GLY 54 H GLY 54 -13.457 -11.395 -2.499 424 1HA GLY 54 1HA GLY 54 -13.218 -13.257 -3.817 425 2HA GLY 54 2HA GLY 54 -13.244 -12.265 -5.261 426 HA PRO 55 HA PRO 55 -8.874 -13.204 -3.793 427 1HB PRO 55 1HB PRO 55 -8.367 -15.765 -4.599 428 2HB PRO 55 2HB PRO 55 -8.786 -15.345 -2.951 429 1HG PRO 55 1HG PRO 55 -10.462 -16.633 -5.017 430 2HG PRO 55 2HG PRO 55 -10.699 -16.589 -3.281 431 1HD PRO 55 1HD PRO 55 -12.094 -15.031 -5.244 432 2HD PRO 55 2HD PRO 55 -12.248 -14.905 -3.503 433 H SER 56 H SER 56 -7.163 -12.579 -5.023 434 HA SER 56 HA SER 56 -7.511 -13.158 -7.848 435 1HB SER 56 1HB SER 56 -7.715 -10.548 -6.587 436 2HB SER 56 2HB SER 56 -6.324 -10.567 -7.652 437 HG SER 56 HG SER 56 -7.631 -10.511 -9.340 438 HA PRO 57 HA PRO 57 -3.265 -14.052 -7.483 439 1HB PRO 57 1HB PRO 57 -2.520 -14.090 -10.112 440 2HB PRO 57 2HB PRO 57 -3.322 -15.434 -9.324 441 1HG PRO 57 1HG PRO 57 -4.438 -13.473 -11.233 442 2HG PRO 57 2HG PRO 57 -5.074 -15.039 -10.771 443 1HD PRO 57 1HD PRO 57 -6.012 -12.476 -9.888 444 2HD PRO 57 2HD PRO 57 -6.571 -14.044 -9.337 445 H CYS 58 H CYS 58 -1.365 -13.080 -6.996 446 HA CYS 58 HA CYS 58 -1.060 -10.455 -8.255 447 1HB CYS 58 1HB CYS 58 -0.466 -11.049 -5.338 448 2HB CYS 58 2HB CYS 58 -0.276 -9.510 -6.154 449 HG CYS 58 HG CYS 58 -2.866 -9.463 -6.978 450 H GLN 59 H GLN 59 1.295 -9.732 -8.218 451 HA GLN 59 HA GLN 59 3.190 -11.808 -7.684 452 1HB GLN 59 1HB GLN 59 2.570 -12.474 -9.929 453 2HB GLN 59 2HB GLN 59 2.649 -10.823 -10.513 454 1HG GLN 59 1HG GLN 59 5.018 -10.762 -10.435 455 2HG GLN 59 2HG GLN 59 5.116 -12.072 -9.275 456 1HE2 GLN 59 1HE2 GLN 59 5.905 -13.848 -10.076 457 2HE2 GLN 59 2HE2 GLN 59 5.681 -14.480 -11.673 458 H VAL 60 H VAL 60 5.303 -10.973 -7.344 459 HA VAL 60 HA VAL 60 5.358 -8.110 -6.998 460 HB VAL 60 HB VAL 60 7.485 -10.183 -6.439 461 1HG1 VAL 60 1HG1 VAL 60 8.000 -7.632 -6.518 462 2HG1 VAL 60 2HG1 VAL 60 7.109 -7.574 -4.978 463 3HG1 VAL 60 3HG1 VAL 60 8.565 -8.588 -5.127 464 1HG2 VAL 60 1HG2 VAL 60 6.598 -10.011 -4.056 465 2HG2 VAL 60 2HG2 VAL 60 5.148 -9.250 -4.754 466 3HG2 VAL 60 3HG2 VAL 60 5.589 -10.912 -5.213 467 H THR 61 H THR 61 6.522 -6.639 -8.209 468 HA THR 61 HA THR 61 7.786 -7.752 -10.620 469 HB THR 61 HB THR 61 7.118 -5.703 -11.692 470 HG1 THR 61 1HG THR 61 6.443 -4.839 -8.971 471 1HG2 THR 61 1HG2 THR 61 5.139 -7.237 -10.815 472 2HG2 THR 61 2HG2 THR 61 4.885 -5.922 -9.643 473 3HG2 THR 61 3HG2 THR 61 4.766 -5.594 -11.388 474 H ASP 62 H ASP 62 8.310 -5.868 -7.679 475 HA ASP 62 HA ASP 62 11.108 -6.041 -8.190 476 1HB ASP 62 1HB ASP 62 9.642 -3.572 -8.683 477 2HB ASP 62 2HB ASP 62 10.739 -3.333 -7.338 478 H VAL 63 H VAL 63 12.177 -6.234 -6.169 479 HA VAL 63 HA VAL 63 11.105 -5.051 -3.813 480 HB VAL 63 HB VAL 63 9.548 -6.883 -3.987 481 1HG1 VAL 63 1HG1 VAL 63 10.988 -8.337 -5.432 482 2HG1 VAL 63 2HG1 VAL 63 11.920 -8.777 -3.981 483 3HG1 VAL 63 3HG1 VAL 63 10.195 -9.201 -4.094 484 1HG2 VAL 63 1HG2 VAL 63 11.157 -6.336 -1.784 485 2HG2 VAL 63 2HG2 VAL 63 9.622 -7.238 -1.778 486 3HG2 VAL 63 3HG2 VAL 63 11.168 -8.113 -1.890 487 H GLU 64 H GLU 64 13.031 -4.222 -3.148 488 HA GLU 64 HA GLU 64 15.055 -6.106 -2.450 489 1HB GLU 64 1HB GLU 64 15.606 -5.631 -4.833 490 2HB GLU 64 2HB GLU 64 15.673 -3.916 -4.482 491 1HG GLU 64 1HG GLU 64 17.850 -4.151 -3.903 492 2HG GLU 64 2HG GLU 64 17.355 -5.137 -2.542 493 H ARG 65 H ARG 65 15.197 -5.497 -0.320 494 HA ARG 65 HA ARG 65 15.473 -4.284 1.446 495 1HB ARG 65 1HB ARG 65 17.139 -2.897 -0.599 496 2HB ARG 65 2HB ARG 65 16.746 -1.900 0.788 497 1HG ARG 65 1HG ARG 65 17.431 -4.244 2.054 498 2HG ARG 65 2HG ARG 65 18.451 -4.350 0.633 499 1HD ARG 65 1HD ARG 65 18.458 -1.653 1.869 500 2HD ARG 65 2HD ARG 65 19.047 -2.904 2.944 501 HE ARG 65 HE ARG 65 20.201 -3.162 0.289 502 1HH1 ARG 65 2HH2 ARG 65 20.459 -1.381 3.313 503 2HH1 ARG 65 1HH2 ARG 65 22.134 -0.998 3.093 504 1HH2 ARG 65 2HH1 ARG 65 22.411 -2.657 -0.002 505 2HH2 ARG 65 1HH1 ARG 65 23.252 -1.729 1.195 506 HA PRO 66 HA PRO 66 12.437 -1.158 1.690 507 1HB PRO 66 1HB PRO 66 13.222 0.425 3.774 508 2HB PRO 66 2HB PRO 66 12.451 -1.133 3.993 509 1HG PRO 66 1HG PRO 66 15.295 -0.406 4.344 510 2HG PRO 66 2HG PRO 66 14.437 -1.809 4.951 511 1HD PRO 66 1HD PRO 66 16.236 -1.731 2.718 512 2HD PRO 66 2HD PRO 66 15.289 -3.105 3.254 513 H ILE 67 H ILE 67 13.630 -0.624 -0.531 514 HA ILE 67 HA ILE 67 13.921 2.283 -0.365 515 HB ILE 67 HB ILE 67 15.713 2.058 -2.134 516 1HG1 ILE 67 1HG1 ILE 67 17.016 -0.205 -1.728 517 2HG1 ILE 67 2HG1 ILE 67 15.423 -0.817 -1.329 518 1HG2 ILE 67 1HG2 ILE 67 16.831 2.766 -0.344 519 2HG2 ILE 67 2HG2 ILE 67 15.868 1.752 0.758 520 3HG2 ILE 67 3HG2 ILE 67 17.285 1.067 -0.073 521 1HD1 ILE 67 1HD1 ILE 67 15.135 0.769 -3.704 522 2HD1 ILE 67 2HD1 ILE 67 16.538 -0.301 -3.936 523 3HD1 ILE 67 3HD1 ILE 67 14.948 -0.992 -3.532 524 H LYS 68 H LYS 68 13.384 -0.658 -2.394 525 HA LYS 68 HA LYS 68 11.378 0.886 -3.846 526 1HB LYS 68 1HB LYS 68 13.433 1.018 -5.187 527 2HB LYS 68 2HB LYS 68 13.573 -0.729 -5.177 528 1HG LYS 68 1HG LYS 68 12.349 -0.675 -7.099 529 2HG LYS 68 2HG LYS 68 10.965 -0.394 -6.061 530 1HD LYS 68 1HD LYS 68 10.696 1.701 -6.889 531 2HD LYS 68 2HD LYS 68 12.344 2.126 -6.470 532 1HE LYS 68 1HE LYS 68 12.622 0.436 -8.718 533 2HE LYS 68 2HE LYS 68 11.217 1.414 -9.092 534 1HZ LYS 68 1HZ LYS 68 13.409 2.376 -9.703 535 2HZ LYS 68 2HZ LYS 68 12.464 3.359 -8.804 536 3HZ LYS 68 3HZ LYS 68 13.723 2.582 -8.114 537 H LEU 69 H LEU 69 9.479 -0.197 -3.908 538 HA LEU 69 HA LEU 69 9.524 -3.083 -4.032 539 1HB LEU 69 1HB LEU 69 9.693 -2.602 -1.630 540 2HB LEU 69 2HB LEU 69 8.237 -1.630 -1.716 541 HG LEU 69 HG LEU 69 7.089 -3.784 -2.589 542 1HD1 LEU 69 1HD1 LEU 69 9.782 -4.762 -2.016 543 2HD1 LEU 69 2HD1 LEU 69 8.513 -5.688 -1.179 544 3HD1 LEU 69 3HD1 LEU 69 8.461 -5.505 -2.949 545 1HD2 LEU 69 1HD2 LEU 69 6.162 -3.767 -0.573 546 2HD2 LEU 69 2HD2 LEU 69 7.638 -4.429 0.170 547 3HD2 LEU 69 3HD2 LEU 69 7.457 -2.670 -0.035 548 H SER 70 H SER 70 7.784 -3.869 -5.183 549 HA SER 70 HA SER 70 5.479 -2.193 -5.464 550 1HB SER 70 1HB SER 70 7.288 -1.554 -7.260 551 2HB SER 70 2HB SER 70 6.855 -3.073 -8.020 552 HG SER 70 HG SER 70 4.557 -2.255 -7.907 553 H PHE 71 H PHE 71 3.668 -3.387 -6.554 554 HA PHE 71 HA PHE 71 4.111 -6.164 -7.133 555 1HB PHE 71 1HB PHE 71 2.818 -6.998 -5.270 556 2HB PHE 71 2HB PHE 71 3.859 -5.791 -4.542 557 HD1 PHE 71 1HD PHE 71 2.949 -3.922 -3.432 558 HD2 PHE 71 2HD PHE 71 0.432 -6.357 -5.830 559 HE1 PHE 71 1HE PHE 71 0.933 -2.732 -2.526 560 HE2 PHE 71 2HE PHE 71 -1.583 -5.166 -4.923 561 HZ PHE 71 HZ PHE 71 -1.308 -3.368 -3.282 562 H THR 72 H THR 72 2.458 -7.031 -8.426 563 HA THR 72 HA THR 72 0.563 -5.055 -9.406 564 HB THR 72 HB THR 72 0.263 -6.771 -11.208 565 HG1 THR 72 1HG THR 72 0.838 -8.813 -10.584 566 1HG2 THR 72 1HG2 THR 72 2.159 -5.856 -12.106 567 2HG2 THR 72 2HG2 THR 72 2.847 -5.577 -10.488 568 3HG2 THR 72 3HG2 THR 72 3.074 -7.148 -11.294 569 H TRP 73 H TRP 73 -1.704 -5.373 -9.536 570 HA TRP 73 HA TRP 73 -2.674 -7.364 -7.598 571 1HB TRP 73 1HB TRP 73 -2.712 -4.871 -6.930 572 2HB TRP 73 2HB TRP 73 -4.014 -4.718 -8.093 573 HD1 TRP 73 HD TRP 73 -5.111 -7.835 -7.145 574 HE1 TRP 73 1HE TRP 73 -6.649 -8.006 -5.008 575 HE3 TRP 73 3HE TRP 73 -3.795 -3.328 -5.192 576 HZ2 TRP 73 2HZ TRP 73 -7.133 -6.275 -2.790 577 HZ3 TRP 73 3HZ TRP 73 -4.847 -2.644 -3.038 578 HH2 TRP 73 HH TRP 73 -6.463 -4.036 -1.844 579 H ASP 74 H ASP 74 -4.121 -8.806 -8.463 580 HA ASP 74 HA ASP 74 -5.577 -9.709 -9.799 581 1HB ASP 74 1HB ASP 74 -5.976 -7.150 -11.374 582 2HB ASP 74 2HB ASP 74 -7.145 -8.411 -11.035 583 H THR 75 H THR 75 -5.796 -10.442 -12.162 584 HA THR 75 HA THR 75 -3.465 -11.010 -13.373 585 HB THR 75 HB THR 75 -4.883 -11.342 -15.423 586 HG1 THR 75 1HG THR 75 -6.629 -9.986 -15.548 587 1HG2 THR 75 1HG2 THR 75 -6.407 -12.906 -14.504 588 2HG2 THR 75 2HG2 THR 75 -5.187 -12.791 -13.213 589 3HG2 THR 75 3HG2 THR 75 -6.720 -11.898 -13.071 590 H ASP 76 H ASP 76 -5.409 -8.020 -13.939 591 HA ASP 76 HA ASP 76 -3.068 -6.579 -14.449 592 1HB ASP 76 1HB ASP 76 -3.324 -7.835 -16.639 593 2HB ASP 76 2HB ASP 76 -4.887 -7.071 -16.853 594 H GLY 77 H GLY 77 -3.735 -4.685 -13.425 595 1HA GLY 77 1HA GLY 77 -6.158 -3.366 -14.325 596 2HA GLY 77 2HA GLY 77 -6.186 -3.920 -12.662 597 H TRP 78 H TRP 78 -4.872 -2.915 -11.067 598 HA TRP 78 HA TRP 78 -3.517 -0.488 -12.028 599 1HB TRP 78 1HB TRP 78 -4.708 -0.889 -9.288 600 2HB TRP 78 2HB TRP 78 -4.114 0.596 -10.003 601 HD1 TRP 78 HD TRP 78 -5.772 0.035 -12.876 602 HE1 TRP 78 1HE TRP 78 -8.353 0.568 -13.001 603 HE3 TRP 78 3HE TRP 78 -6.571 -0.071 -7.855 604 HZ2 TRP 78 2HZ TRP 78 -10.394 0.878 -11.030 605 HZ3 TRP 78 3HZ TRP 78 -8.887 0.357 -7.039 606 HH2 TRP 78 HH TRP 78 -10.763 0.820 -8.536 607 H SER 79 H SER 79 -1.567 0.123 -10.725 608 HA SER 79 HA SER 79 -0.432 -2.167 -9.341 609 1HB SER 79 1HB SER 79 1.613 -0.675 -10.799 610 2HB SER 79 2HB SER 79 1.296 -2.399 -10.788 611 HG SER 79 HG SER 79 0.854 -1.848 -12.876 612 H VAL 80 H VAL 80 0.579 -1.602 -7.415 613 HA VAL 80 HA VAL 80 0.924 1.282 -6.966 614 HB VAL 80 HB VAL 80 -0.871 0.262 -5.657 615 1HG1 VAL 80 1HG1 VAL 80 1.286 -1.507 -4.456 616 2HG1 VAL 80 2HG1 VAL 80 -0.425 -1.443 -3.971 617 3HG1 VAL 80 3HG1 VAL 80 0.020 -2.044 -5.586 618 1HG2 VAL 80 1HG2 VAL 80 1.494 0.887 -3.864 619 2HG2 VAL 80 2HG2 VAL 80 0.564 2.119 -4.749 620 3HG2 VAL 80 3HG2 VAL 80 -0.234 1.121 -3.511 621 H THR 81 H THR 81 2.845 1.997 -5.938 622 HA THR 81 HA THR 81 4.907 -0.073 -5.605 623 HB THR 81 HB THR 81 5.373 2.659 -6.890 624 HG1 THR 81 1HG THR 81 4.167 1.635 -8.468 625 1HG2 THR 81 1HG2 THR 81 6.975 0.198 -6.337 626 2HG2 THR 81 2HG2 THR 81 7.108 0.818 -8.000 627 3HG2 THR 81 3HG2 THR 81 7.529 1.865 -6.624 628 H PHE 82 H PHE 82 6.044 0.027 -3.752 629 HA PHE 82 HA PHE 82 5.433 2.313 -2.036 630 1HB PHE 82 1HB PHE 82 6.572 -0.510 -1.578 631 2HB PHE 82 2HB PHE 82 6.342 0.650 -0.284 632 HD1 PHE 82 1HD PHE 82 4.959 -2.135 -1.738 633 HD2 PHE 82 2HD PHE 82 3.819 1.711 -0.354 634 HE1 PHE 82 1HE PHE 82 2.603 -2.943 -1.433 635 HE2 PHE 82 2HE PHE 82 1.463 0.903 -0.048 636 HZ PHE 82 HZ PHE 82 0.883 -1.415 -0.591 637 H HIS 83 H HIS 83 7.125 3.383 -0.840 638 HA HIS 83 HA HIS 83 9.832 2.740 -1.676 639 1HB HIS 83 1HB HIS 83 8.576 5.481 -1.985 640 2HB HIS 83 2HB HIS 83 10.290 5.148 -2.128 641 HD1 HIS 83 1HD HIS 83 11.124 4.529 -4.417 642 HD2 HIS 83 2HD HIS 83 6.978 4.022 -4.037 643 HE1 HIS 83 1HE HIS 83 10.261 3.926 -6.742 644 H LEU 84 H LEU 84 10.919 2.408 0.193 645 HA LEU 84 HA LEU 84 10.087 4.010 2.506 646 1HB LEU 84 1HB LEU 84 11.199 1.239 2.212 647 2HB LEU 84 2HB LEU 84 11.407 2.121 3.712 648 HG LEU 84 HG LEU 84 8.707 2.423 3.243 649 1HD1 LEU 84 1HD1 LEU 84 8.442 0.963 1.452 650 2HD1 LEU 84 2HD1 LEU 84 9.610 -0.212 2.102 651 3HD1 LEU 84 3HD1 LEU 84 8.010 -0.035 2.861 652 1HD2 LEU 84 1HD2 LEU 84 10.445 0.931 5.055 653 2HD2 LEU 84 2HD2 LEU 84 8.969 1.869 5.386 654 3HD2 LEU 84 3HD2 LEU 84 8.847 0.176 4.848 655 H LYS 85 H LYS 85 11.812 4.791 3.956 656 HA LYS 85 HA LYS 85 14.506 4.697 3.139 657 1HB LYS 85 1HB LYS 85 14.828 6.979 2.388 658 2HB LYS 85 2HB LYS 85 13.707 6.149 1.328 659 1HG LYS 85 1HG LYS 85 11.805 7.166 2.745 660 2HG LYS 85 2HG LYS 85 13.024 8.161 3.516 661 1HD LYS 85 1HD LYS 85 13.413 8.314 0.652 662 2HD LYS 85 2HD LYS 85 11.716 8.592 0.988 663 1HE LYS 85 1HE LYS 85 12.253 10.720 1.567 664 2HE LYS 85 2HE LYS 85 13.055 10.074 2.984 665 1HZ LYS 85 1HZ LYS 85 14.816 11.031 2.037 666 2HZ LYS 85 2HZ LYS 85 14.898 9.671 1.137 667 3HZ LYS 85 3HZ LYS 85 14.197 11.013 0.526 668 H GLU 86 H GLU 86 15.600 4.814 5.022 669 HA GLU 86 HA GLU 86 14.238 5.578 7.351 670 1HB GLU 86 1HB GLU 86 16.207 3.881 6.997 671 2HB GLU 86 2HB GLU 86 17.249 5.280 7.154 672 1HG GLU 86 1HG GLU 86 15.133 5.081 9.244 673 2HG GLU 86 2HG GLU 86 16.308 3.781 9.276 674 H GLU 87 H GLU 87 14.436 7.442 8.659 675 HA GLU 87 HA GLU 87 15.859 9.621 7.340 676 1HB GLU 87 1HB GLU 87 13.144 9.435 8.057 677 2HB GLU 87 2HB GLU 87 13.841 10.444 9.309 678 1HG GLU 87 1HG GLU 87 14.848 11.169 6.636 679 2HG GLU 87 2HG GLU 87 13.101 11.268 6.721 680 H GLU 88 H GLU 88 15.838 11.507 9.429 681 HA GLU 88 HA GLU 88 18.061 10.948 10.791 682 1HB GLU 88 1HB GLU 88 15.722 12.757 11.300 683 2HB GLU 88 2HB GLU 88 16.863 12.556 12.615 684 1HG GLU 88 1HG GLU 88 18.326 12.920 10.126 685 2HG GLU 88 2HG GLU 88 17.145 14.203 10.293 686 H ASN 89 H ASN 89 14.894 10.976 12.570 687 HA ASN 89 HA ASN 89 15.837 8.578 13.930 688 1HB ASN 89 1HB ASN 89 14.982 11.208 15.028 689 2HB ASN 89 2HB ASN 89 14.159 9.853 15.773 690 1HD2 ASN 89 1HD2 ASN 89 17.159 11.500 15.277 691 2HD2 ASN 89 2HD2 ASN 89 18.131 10.624 16.412 692 H GLY 90 H GLY 90 14.351 7.911 11.890 693 1HA GLY 90 1HA GLY 90 12.010 6.783 12.780 694 2HA GLY 90 2HA GLY 90 11.537 8.342 12.136 695 H THR 91 H THR 91 10.494 6.200 10.840 696 HA THR 91 HA THR 91 12.219 5.835 8.481 697 HB THR 91 HB THR 91 9.938 4.154 9.648 698 HG1 THR 91 1HG THR 91 12.225 4.248 10.586 699 1HG2 THR 91 1HG2 THR 91 10.884 4.251 6.952 700 2HG2 THR 91 2HG2 THR 91 11.673 2.843 7.703 701 3HG2 THR 91 3HG2 THR 91 9.898 2.969 7.695 702 H ILE 92 H ILE 92 11.406 6.180 6.397 703 HA ILE 92 HA ILE 92 8.973 7.822 6.404 704 HB ILE 92 HB ILE 92 11.368 7.854 4.564 705 1HG1 ILE 92 1HG1 ILE 92 11.659 8.824 6.872 706 2HG1 ILE 92 2HG1 ILE 92 11.954 9.927 5.542 707 1HG2 ILE 92 1HG2 ILE 92 9.910 8.609 3.042 708 2HG2 ILE 92 2HG2 ILE 92 8.640 8.906 4.253 709 3HG2 ILE 92 3HG2 ILE 92 9.927 10.109 3.999 710 1HD1 ILE 92 1HD1 ILE 92 9.200 9.764 6.807 711 2HD1 ILE 92 2HD1 ILE 92 10.485 10.756 7.539 712 3HD1 ILE 92 3HD1 ILE 92 9.925 11.103 5.885 713 H PHE 93 H PHE 93 7.205 7.081 5.343 714 HA PHE 93 HA PHE 93 7.643 4.774 3.579 715 1HB PHE 93 1HB PHE 93 6.383 4.501 5.830 716 2HB PHE 93 2HB PHE 93 5.177 5.614 5.216 717 HD1 PHE 93 1HD PHE 93 6.047 2.232 5.539 718 HD2 PHE 93 2HD PHE 93 4.125 4.933 2.890 719 HE1 PHE 93 1HE PHE 93 4.821 0.317 4.477 720 HE2 PHE 93 2HE PHE 93 2.899 3.018 1.827 721 HZ PHE 93 HZ PHE 93 3.261 0.733 2.633 722 H THR 94 H THR 94 7.258 5.187 1.460 723 HA THR 94 HA THR 94 5.229 7.234 0.849 724 HB THR 94 HB THR 94 7.930 6.674 -0.483 725 HG1 THR 94 1HG THR 94 8.425 8.300 0.931 726 1HG2 THR 94 1HG2 THR 94 7.072 7.709 -2.333 727 2HG2 THR 94 2HG2 THR 94 5.503 7.936 -1.523 728 3HG2 THR 94 3HG2 THR 94 6.792 9.148 -1.324 729 H ILE 95 H ILE 95 3.650 6.708 -0.574 730 HA ILE 95 HA ILE 95 3.951 4.087 -1.868 731 HB ILE 95 HB ILE 95 2.401 3.841 -0.092 732 1HG1 ILE 95 1HG1 ILE 95 1.860 3.071 -2.560 733 2HG1 ILE 95 2HG1 ILE 95 0.723 2.820 -1.250 734 1HG2 ILE 95 1HG2 ILE 95 1.847 6.075 0.482 735 2HG2 ILE 95 2HG2 ILE 95 1.127 6.385 -1.116 736 3HG2 ILE 95 3HG2 ILE 95 0.326 5.274 0.021 737 1HD1 ILE 95 1HD1 ILE 95 0.684 5.212 -3.149 738 2HD1 ILE 95 2HD1 ILE 95 -0.378 3.788 -3.269 739 3HD1 ILE 95 3HD1 ILE 95 -0.503 4.876 -1.866 740 H VAL 96 H VAL 96 2.967 3.867 -3.981 741 HA VAL 96 HA VAL 96 2.120 6.366 -5.213 742 HB VAL 96 HB VAL 96 4.379 4.641 -6.247 743 1HG1 VAL 96 1HG1 VAL 96 4.536 6.158 -8.105 744 2HG1 VAL 96 2HG1 VAL 96 2.855 5.582 -8.006 745 3HG1 VAL 96 3HG1 VAL 96 3.273 7.211 -7.422 746 1HG2 VAL 96 1HG2 VAL 96 4.294 7.310 -4.858 747 2HG2 VAL 96 2HG2 VAL 96 5.376 5.923 -4.585 748 3HG2 VAL 96 3HG2 VAL 96 5.587 6.946 -6.026 749 H HIS 97 H HIS 97 0.238 5.975 -6.249 750 HA HIS 97 HA HIS 97 -0.138 3.253 -7.270 751 1HB HIS 97 1HB HIS 97 -1.512 4.156 -5.199 752 2HB HIS 97 2HB HIS 97 -2.456 4.963 -6.436 753 HD1 HIS 97 1HD HIS 97 -4.479 3.391 -5.712 754 HD2 HIS 97 2HD HIS 97 -1.198 1.423 -7.432 755 HE1 HIS 97 1HE HIS 97 -5.293 1.054 -6.335 756 H SER 98 H SER 98 -0.904 3.038 -9.377 757 HA SER 98 HA SER 98 -1.801 5.427 -10.704 758 1HB SER 98 1HB SER 98 0.609 3.834 -11.688 759 2HB SER 98 2HB SER 98 -0.193 5.096 -12.602 760 HG SER 98 HG SER 98 1.729 5.831 -11.422 761 H GLY 99 H GLY 99 -2.680 4.871 -12.955 762 1HA GLY 99 1HA GLY 99 -3.060 2.781 -14.356 763 2HA GLY 99 2HA GLY 99 -3.782 2.134 -12.896 764 H TRP 100 H TRP 100 -4.554 5.219 -12.391 765 HA TRP 100 HA TRP 100 -7.219 4.916 -13.237 766 1HB TRP 100 1HB TRP 100 -5.890 7.499 -12.433 767 2HB TRP 100 2HB TRP 100 -7.582 7.065 -12.304 768 HD1 TRP 100 HD TRP 100 -4.332 6.832 -10.379 769 HE1 TRP 100 1HE TRP 100 -4.644 5.685 -8.024 770 HE3 TRP 100 3HE TRP 100 -9.060 5.167 -11.231 771 HZ2 TRP 100 2HZ TRP 100 -6.785 4.242 -6.808 772 HZ3 TRP 100 3HZ TRP 100 -10.190 3.897 -9.407 773 HH2 TRP 100 HH TRP 100 -9.129 3.428 -7.256 774 H LYS 101 H LYS 101 -8.345 6.543 -14.721 775 HA LYS 101 HA LYS 101 -6.563 7.204 -16.963 776 1HB LYS 101 1HB LYS 101 -9.452 6.296 -17.119 777 2HB LYS 101 2HB LYS 101 -8.415 6.699 -18.472 778 1HG LYS 101 1HG LYS 101 -6.800 4.871 -17.589 779 2HG LYS 101 2HG LYS 101 -8.103 4.374 -16.528 780 1HD LYS 101 1HD LYS 101 -8.906 3.117 -18.238 781 2HD LYS 101 2HD LYS 101 -9.349 4.610 -19.043 782 1HE LYS 101 1HE LYS 101 -7.582 4.501 -20.521 783 2HE LYS 101 2HE LYS 101 -6.472 3.879 -19.316 784 1HZ LYS 101 1HZ LYS 101 -8.637 2.191 -20.302 785 2HZ LYS 101 2HZ LYS 101 -7.265 2.352 -21.173 786 3HZ LYS 101 3HZ LYS 101 -7.204 1.747 -19.657 787 H GLN 102 H GLN 102 -8.315 8.738 -18.480 788 HA GLN 102 HA GLN 102 -8.025 11.187 -17.485 789 1HB GLN 102 1HB GLN 102 -9.470 9.976 -19.638 790 2HB GLN 102 2HB GLN 102 -10.559 11.126 -18.890 791 1HG GLN 102 1HG GLN 102 -8.248 12.614 -18.942 792 2HG GLN 102 2HG GLN 102 -8.001 11.612 -20.358 793 1HE2 GLN 102 1HE2 GLN 102 -10.630 13.396 -18.742 794 2HE2 GLN 102 2HE2 GLN 102 -11.305 14.126 -20.160 795 H GLY 103 H GLY 103 -9.034 12.581 -16.033 796 1HA GLY 103 1HA GLY 103 -10.724 11.430 -14.059 797 2HA GLY 103 2HA GLY 103 -10.234 13.107 -14.198 798 H ASP 104 H ASP 104 -12.238 10.780 -16.162 799 HA ASP 104 HA ASP 104 -14.512 12.443 -15.779 800 1HB ASP 104 1HB ASP 104 -12.921 13.156 -17.908 801 2HB ASP 104 2HB ASP 104 -13.950 11.965 -18.678 802 H THR 105 H THR 105 -12.905 9.885 -17.803 803 HA THR 105 HA THR 105 -15.181 8.459 -18.505 804 HB THR 105 HB THR 105 -12.949 8.156 -19.534 805 HG1 THR 105 1HG THR 105 -13.740 5.827 -17.940 806 1HG2 THR 105 1HG2 THR 105 -11.882 6.377 -17.451 807 2HG2 THR 105 2HG2 THR 105 -11.060 7.690 -18.328 808 3HG2 THR 105 3HG2 THR 105 -12.007 8.053 -16.864 809 H LYS 106 H LYS 106 -16.399 6.833 -17.614 810 HA LYS 106 HA LYS 106 -16.158 6.635 -14.730 811 1HB LYS 106 1HB LYS 106 -18.345 7.148 -15.526 812 2HB LYS 106 2HB LYS 106 -18.303 5.864 -16.718 813 1HG LYS 106 1HG LYS 106 -18.187 4.166 -14.871 814 2HG LYS 106 2HG LYS 106 -18.258 5.458 -13.689 815 1HD LYS 106 1HD LYS 106 -20.517 4.910 -13.798 816 2HD LYS 106 2HD LYS 106 -20.460 6.156 -15.029 817 1HE LYS 106 1HE LYS 106 -19.732 3.665 -16.286 818 2HE LYS 106 2HE LYS 106 -21.171 3.371 -15.331 819 1HZ LYS 106 1HZ LYS 106 -21.780 5.676 -16.471 820 2HZ LYS 106 2HZ LYS 106 -20.838 5.036 -17.642 821 3HZ LYS 106 3HZ LYS 106 -22.158 4.226 -17.121 822 H VAL 107 H VAL 107 -16.107 4.568 -13.614 823 HA VAL 107 HA VAL 107 -14.457 2.684 -15.063 824 HB VAL 107 HB VAL 107 -15.363 2.722 -12.178 825 1HG1 VAL 107 1HG1 VAL 107 -14.264 0.629 -13.547 826 2HG1 VAL 107 2HG1 VAL 107 -12.807 1.440 -12.924 827 3HG1 VAL 107 3HG1 VAL 107 -14.078 0.906 -11.798 828 1HG2 VAL 107 1HG2 VAL 107 -13.089 3.651 -11.721 829 2HG2 VAL 107 2HG2 VAL 107 -12.864 3.858 -13.474 830 3HG2 VAL 107 3HG2 VAL 107 -14.146 4.758 -12.629 831 H GLU 108 H GLU 108 -15.759 1.566 -16.518 832 HA GLU 108 HA GLU 108 -18.316 0.663 -15.745 833 1HB GLU 108 1HB GLU 108 -17.508 1.210 -18.115 834 2HB GLU 108 2HB GLU 108 -16.644 -0.314 -18.095 835 1HG GLU 108 1HG GLU 108 -18.866 -1.459 -17.523 836 2HG GLU 108 2HG GLU 108 -19.656 0.079 -17.809 837 H LYS 109 H LYS 109 -17.362 -0.348 -13.654 838 HA LYS 109 HA LYS 109 -17.463 -3.121 -13.908 839 1HB LYS 109 1HB LYS 109 -15.229 -2.911 -14.896 840 2HB LYS 109 2HB LYS 109 -14.663 -2.032 -13.490 841 1HG LYS 109 1HG LYS 109 -15.934 -4.759 -13.125 842 2HG LYS 109 2HG LYS 109 -14.271 -4.652 -13.669 843 1HD LYS 109 1HD LYS 109 -14.090 -2.920 -11.607 844 2HD LYS 109 2HD LYS 109 -15.461 -3.840 -11.021 845 1HE LYS 109 1HE LYS 109 -14.110 -5.553 -10.398 846 2HE LYS 109 2HE LYS 109 -13.478 -5.700 -12.026 847 1HZ LYS 109 1HZ LYS 109 -12.504 -3.491 -10.435 848 2HZ LYS 109 2HZ LYS 109 -11.986 -4.985 -10.025 849 3HZ LYS 109 3HZ LYS 109 -11.716 -4.411 -11.530 850 H ALA 110 H ALA 110 -15.627 -0.710 -11.892 851 HA ALA 110 HA ALA 110 -16.375 -1.892 -9.471 852 1HB ALA 110 1HB ALA 110 -14.436 -0.359 -9.855 853 2HB ALA 110 2HB ALA 110 -15.580 0.991 -10.040 854 3HB ALA 110 3HB ALA 110 -15.455 0.137 -8.483 855 H GLY 111 H GLY 111 -17.505 1.274 -10.868 856 1HA GLY 111 1HA GLY 111 -20.143 1.022 -10.946 857 2HA GLY 111 2HA GLY 111 -19.898 1.113 -9.213 858 H ALA 112 H ALA 112 -18.031 2.955 -8.690 859 HA ALA 112 HA ALA 112 -19.261 5.381 -9.676 860 1HB ALA 112 1HB ALA 112 -17.581 6.349 -7.945 861 2HB ALA 112 2HB ALA 112 -18.938 5.368 -7.341 862 3HB ALA 112 3HB ALA 112 -17.314 4.653 -7.476 863 H GLU 113 H GLU 113 -17.905 7.213 -10.457 864 HA GLU 113 HA GLU 113 -16.370 6.433 -12.592 865 1HB GLU 113 1HB GLU 113 -16.524 9.077 -11.090 866 2HB GLU 113 2HB GLU 113 -15.622 8.890 -12.581 867 1HG GLU 113 1HG GLU 113 -17.717 8.081 -13.721 868 2HG GLU 113 2HG GLU 113 -18.607 8.335 -12.233 869 H SER 114 H SER 114 -13.981 7.283 -12.941 870 HA SER 114 HA SER 114 -12.402 5.836 -11.157 871 1HB SER 114 1HB SER 114 -11.964 7.556 -13.565 872 2HB SER 114 2HB SER 114 -10.577 7.351 -12.514 873 HG SER 114 HG SER 114 -11.037 5.709 -14.339 874 H ALA 115 H ALA 115 -13.262 9.293 -11.491 875 HA ALA 115 HA ALA 115 -11.268 10.265 -9.741 876 1HB ALA 115 1HB ALA 115 -12.060 12.043 -10.897 877 2HB ALA 115 2HB ALA 115 -13.622 11.254 -11.217 878 3HB ALA 115 3HB ALA 115 -13.347 12.087 -9.669 879 H VAL 116 H VAL 116 -14.803 9.530 -9.326 880 HA VAL 116 HA VAL 116 -14.996 10.176 -6.667 881 HB VAL 116 HB VAL 116 -16.373 8.150 -8.414 882 1HG1 VAL 116 1HG1 VAL 116 -16.639 7.147 -6.295 883 2HG1 VAL 116 2HG1 VAL 116 -16.844 8.717 -5.481 884 3HG1 VAL 116 3HG1 VAL 116 -18.127 8.092 -6.544 885 1HG2 VAL 116 1HG2 VAL 116 -16.742 10.980 -7.694 886 2HG2 VAL 116 2HG2 VAL 116 -17.316 10.070 -9.112 887 3HG2 VAL 116 3HG2 VAL 116 -18.226 10.003 -7.583 888 H VAL 117 H VAL 117 -14.040 7.021 -8.175 889 HA VAL 117 HA VAL 117 -13.645 5.732 -5.704 890 HB VAL 117 HB VAL 117 -12.526 5.166 -8.456 891 1HG1 VAL 117 1HG1 VAL 117 -11.571 3.288 -7.678 892 2HG1 VAL 117 2HG1 VAL 117 -11.722 4.033 -6.069 893 3HG1 VAL 117 3HG1 VAL 117 -12.967 2.898 -6.645 894 1HG2 VAL 117 1HG2 VAL 117 -14.695 3.457 -7.491 895 2HG2 VAL 117 2HG2 VAL 117 -15.181 5.164 -7.636 896 3HG2 VAL 117 3HG2 VAL 117 -14.510 4.306 -9.045 897 H HIS 118 H HIS 118 -11.483 7.531 -7.965 898 HA HIS 118 HA HIS 118 -9.081 6.977 -6.831 899 1HB HIS 118 1HB HIS 118 -8.801 8.230 -8.689 900 2HB HIS 118 2HB HIS 118 -10.239 9.189 -8.405 901 HD1 HIS 118 1HD HIS 118 -6.546 9.113 -7.758 902 HD2 HIS 118 2HD HIS 118 -9.844 11.529 -6.823 903 HE1 HIS 118 1HE HIS 118 -5.595 11.303 -6.857 904 H GLU 119 H GLU 119 -11.421 9.573 -5.857 905 HA GLU 119 HA GLU 119 -9.828 10.479 -3.760 906 1HB GLU 119 1HB GLU 119 -12.712 10.796 -4.572 907 2HB GLU 119 2HB GLU 119 -12.247 11.317 -2.965 908 1HG GLU 119 1HG GLU 119 -10.267 12.554 -4.204 909 2HG GLU 119 2HG GLU 119 -11.247 12.341 -5.641 910 H ARG 120 H ARG 120 -12.651 8.206 -3.880 911 HA ARG 120 HA ARG 120 -12.849 7.771 -1.200 912 1HB ARG 120 1HB ARG 120 -13.701 6.427 -3.684 913 2HB ARG 120 2HB ARG 120 -13.421 5.274 -2.395 914 1HG ARG 120 1HG ARG 120 -14.803 7.302 -1.073 915 2HG ARG 120 2HG ARG 120 -15.547 7.325 -2.660 916 1HD ARG 120 1HD ARG 120 -16.790 5.748 -1.284 917 2HD ARG 120 2HD ARG 120 -15.907 4.824 -2.483 918 HE ARG 120 HE ARG 120 -14.203 5.019 -0.238 919 1HH1 ARG 120 2HH2 ARG 120 -17.356 3.648 -0.988 920 2HH1 ARG 120 1HH2 ARG 120 -17.231 2.387 0.193 921 1HH2 ARG 120 2HH1 ARG 120 -14.038 3.357 1.321 922 2HH2 ARG 120 1HH1 ARG 120 -15.331 2.221 1.516 923 H MET 121 H MET 121 -11.208 5.585 -3.620 924 HA MET 121 HA MET 121 -10.053 3.924 -1.799 925 1HB MET 121 1HB MET 121 -9.844 4.557 -4.639 926 2HB MET 121 2HB MET 121 -8.230 4.285 -4.012 927 1HG MET 121 1HG MET 121 -10.334 2.320 -3.157 928 2HG MET 121 2HG MET 121 -9.860 2.263 -4.842 929 1HE MET 121 1HE MET 121 -7.360 -0.111 -4.783 930 2HE MET 121 2HE MET 121 -8.591 -0.603 -3.595 931 3HE MET 121 3HE MET 121 -9.068 0.319 -5.041 932 H ASP 122 H ASP 122 -8.958 7.124 -2.982 933 HA ASP 122 HA ASP 122 -6.367 6.968 -2.046 934 1HB ASP 122 1HB ASP 122 -7.026 8.747 -3.551 935 2HB ASP 122 2HB ASP 122 -8.287 9.294 -2.464 936 H ARG 123 H ARG 123 -9.450 8.199 -0.573 937 HA ARG 123 HA ARG 123 -8.459 9.243 1.710 938 1HB ARG 123 1HB ARG 123 -11.057 7.875 0.988 939 2HB ARG 123 2HB ARG 123 -10.784 8.278 2.671 940 1HG ARG 123 1HG ARG 123 -10.298 10.663 1.982 941 2HG ARG 123 2HG ARG 123 -10.684 10.234 0.327 942 1HD ARG 123 1HD ARG 123 -12.907 9.269 1.704 943 2HD ARG 123 2HD ARG 123 -12.505 10.704 2.626 944 HE ARG 123 HE ARG 123 -13.531 10.623 -0.107 945 1HH1 ARG 123 2HH2 ARG 123 -11.658 12.528 2.183 946 2HH1 ARG 123 1HH2 ARG 123 -11.971 14.032 1.383 947 1HH2 ARG 123 2HH1 ARG 123 -13.944 12.607 -1.163 948 2HH2 ARG 123 1HH1 ARG 123 -13.280 14.077 -0.533 949 H GLY 124 H GLY 124 -9.540 5.821 1.114 950 1HA GLY 124 1HA GLY 124 -8.840 4.883 3.700 951 2HA GLY 124 2HA GLY 124 -9.195 3.922 2.278 952 H TRP 125 H TRP 125 -7.140 5.112 0.533 953 HA TRP 125 HA TRP 125 -5.025 3.414 1.109 954 1HB TRP 125 1HB TRP 125 -5.678 5.468 -0.856 955 2HB TRP 125 2HB TRP 125 -3.965 5.415 -0.489 956 HD1 TRP 125 HD TRP 125 -6.322 3.857 -2.800 957 HE1 TRP 125 1HE TRP 125 -5.456 1.615 -3.890 958 HE3 TRP 125 3HE TRP 125 -2.504 3.122 0.477 959 HZ2 TRP 125 2HZ TRP 125 -3.320 -0.174 -3.273 960 HZ3 TRP 125 3HZ TRP 125 -1.076 1.103 0.163 961 HH2 TRP 125 HH TRP 125 -1.434 -0.514 -1.634 962 H HIS 126 H HIS 126 -5.328 7.021 1.496 963 HA HIS 126 HA HIS 126 -2.853 7.307 2.753 964 1HB HIS 126 1HB HIS 126 -4.546 9.020 1.658 965 2HB HIS 126 2HB HIS 126 -5.132 9.175 3.302 966 HD1 HIS 126 1HD HIS 126 -4.233 11.686 3.201 967 HD2 HIS 126 2HD HIS 126 -1.288 8.704 3.035 968 HE1 HIS 126 1HE HIS 126 -2.012 12.847 3.680 969 H ASP 127 H ASP 127 -6.220 7.107 4.099 970 HA ASP 127 HA ASP 127 -5.582 7.353 6.715 971 1HB ASP 127 1HB ASP 127 -7.677 5.625 5.331 972 2HB ASP 127 2HB ASP 127 -7.622 5.790 7.075 973 H LEU 128 H LEU 128 -5.413 4.494 4.530 974 HA LEU 128 HA LEU 128 -4.939 2.571 6.513 975 1HB LEU 128 1HB LEU 128 -5.713 2.008 4.300 976 2HB LEU 128 2HB LEU 128 -4.257 2.659 3.574 977 HG LEU 128 HG LEU 128 -2.939 0.894 4.794 978 1HD1 LEU 128 1HD1 LEU 128 -4.014 -0.972 5.806 979 2HD1 LEU 128 2HD1 LEU 128 -4.702 0.495 6.543 980 3HD1 LEU 128 3HD1 LEU 128 -5.625 -0.399 5.311 981 1HD2 LEU 128 1HD2 LEU 128 -3.425 0.628 2.453 982 2HD2 LEU 128 2HD2 LEU 128 -3.621 -0.944 3.264 983 3HD2 LEU 128 3HD2 LEU 128 -5.055 0.010 2.814 984 H VAL 129 H VAL 129 -2.686 4.458 4.385 985 HA VAL 129 HA VAL 129 -0.469 3.509 6.011 986 HB VAL 129 HB VAL 129 -0.347 3.454 3.555 987 1HG1 VAL 129 1HG1 VAL 129 -0.971 5.160 2.259 988 2HG1 VAL 129 2HG1 VAL 129 -1.486 6.026 3.726 989 3HG1 VAL 129 3HG1 VAL 129 0.157 6.263 3.084 990 1HG2 VAL 129 1HG2 VAL 129 1.571 4.747 5.341 991 2HG2 VAL 129 2HG2 VAL 129 1.828 3.511 4.086 992 3HG2 VAL 129 3HG2 VAL 129 1.784 5.234 3.642 993 H ASN 130 H ASN 130 -2.390 5.118 7.382 994 HA ASN 130 HA ASN 130 -0.827 7.562 7.683 995 1HB ASN 130 1HB ASN 130 -3.690 7.156 7.299 996 2HB ASN 130 2HB ASN 130 -3.426 7.890 8.869 997 1HD2 ASN 130 1HD2 ASN 130 -2.042 8.110 5.588 998 2HD2 ASN 130 2HD2 ASN 130 -2.046 9.837 5.464 999 H GLU 131 H GLU 131 -3.189 5.333 9.351 1000 HA GLU 131 HA GLU 131 -1.494 5.548 11.712 1001 1HB GLU 131 1HB GLU 131 -3.562 5.421 13.116 1002 2HB GLU 131 2HB GLU 131 -3.491 6.877 12.143 1003 1HG GLU 131 1HG GLU 131 -5.643 6.258 11.597 1004 2HG GLU 131 2HG GLU 131 -4.817 5.302 10.383 1005 H ARG 132 H ARG 132 -3.940 3.651 9.855 1006 HA ARG 132 HA ARG 132 -3.967 1.393 11.318 1007 1HB ARG 132 1HB ARG 132 -3.925 1.608 8.264 1008 2HB ARG 132 2HB ARG 132 -4.494 0.210 9.155 1009 1HG ARG 132 1HG ARG 132 -5.712 2.826 9.950 1010 2HG ARG 132 2HG ARG 132 -6.119 2.263 8.341 1011 1HD ARG 132 1HD ARG 132 -7.011 0.169 9.201 1012 2HD ARG 132 2HD ARG 132 -6.355 0.468 10.798 1013 HE ARG 132 HE ARG 132 -8.157 2.595 9.946 1014 1HH1 ARG 132 2HH2 ARG 132 -8.032 -0.626 11.358 1015 2HH1 ARG 132 1HH2 ARG 132 -9.562 -0.474 12.156 1016 1HH2 ARG 132 2HH1 ARG 132 -10.175 2.796 11.000 1017 2HH2 ARG 132 1HH1 ARG 132 -10.789 1.485 11.951 1018 H LEU 133 H LEU 133 -1.463 2.571 9.042 1019 HA LEU 133 HA LEU 133 0.002 0.090 9.187 1020 1HB LEU 133 1HB LEU 133 0.032 1.144 7.093 1021 2HB LEU 133 2HB LEU 133 0.381 2.718 7.781 1022 HG LEU 133 HG LEU 133 2.646 1.905 8.426 1023 1HD1 LEU 133 1HD1 LEU 133 2.580 -0.403 6.609 1024 2HD1 LEU 133 2HD1 LEU 133 3.350 -0.208 8.202 1025 3HD1 LEU 133 3HD1 LEU 133 1.620 -0.613 8.093 1026 1HD2 LEU 133 1HD2 LEU 133 3.460 2.642 6.477 1027 2HD2 LEU 133 2HD2 LEU 133 2.658 1.358 5.541 1028 3HD2 LEU 133 3HD2 LEU 133 1.755 2.821 6.000 1029 H ARG 134 H ARG 134 0.291 3.494 10.371 1030 HA ARG 134 HA ARG 134 2.716 3.336 11.516 1031 1HB ARG 134 1HB ARG 134 1.210 5.365 11.426 1032 2HB ARG 134 2HB ARG 134 0.251 4.689 12.728 1033 1HG ARG 134 1HG ARG 134 2.530 4.558 14.040 1034 2HG ARG 134 2HG ARG 134 3.123 5.674 12.825 1035 1HD ARG 134 1HD ARG 134 2.312 7.260 14.290 1036 2HD ARG 134 2HD ARG 134 0.799 6.947 13.463 1037 HE ARG 134 HE ARG 134 1.575 5.931 16.148 1038 1HH1 ARG 134 2HH2 ARG 134 -0.809 6.060 13.563 1039 2HH1 ARG 134 1HH2 ARG 134 -2.105 5.481 14.556 1040 1HH2 ARG 134 2HH1 ARG 134 -0.134 5.167 17.458 1041 2HH2 ARG 134 1HH1 ARG 134 -1.718 4.970 16.787 1042 H GLN 135 H GLN 135 -0.427 2.094 12.743 1043 HA GLN 135 HA GLN 135 0.409 1.536 15.319 1044 1HB GLN 135 1HB GLN 135 -1.950 1.306 13.863 1045 2HB GLN 135 2HB GLN 135 -1.548 -0.371 14.177 1046 1HG GLN 135 1HG GLN 135 -1.244 0.232 16.633 1047 2HG GLN 135 2HG GLN 135 -1.824 1.844 16.263 1048 1HE2 GLN 135 1HE2 GLN 135 -3.954 2.182 15.641 1049 2HE2 GLN 135 2HE2 GLN 135 -5.215 1.029 15.927 1050 H ILE 136 H ILE 136 0.538 -0.389 12.273 1051 HA ILE 136 HA ILE 136 1.234 -2.828 13.233 1052 HB ILE 136 HB ILE 136 2.314 -1.397 10.803 1053 1HG1 ILE 136 1HG1 ILE 136 -0.061 -1.379 10.705 1054 2HG1 ILE 136 2HG1 ILE 136 0.488 -2.654 9.635 1055 1HG2 ILE 136 1HG2 ILE 136 2.285 -3.980 10.078 1056 2HG2 ILE 136 2HG2 ILE 136 3.708 -3.179 10.786 1057 3HG2 ILE 136 3HG2 ILE 136 2.643 -4.171 11.811 1058 1HD1 ILE 136 1HD1 ILE 136 -1.071 -2.842 12.156 1059 2HD1 ILE 136 2HD1 ILE 136 -1.036 -3.939 10.755 1060 3HD1 ILE 136 3HD1 ILE 136 0.230 -4.048 12.002 1061 H VAL 137 H VAL 137 3.084 0.172 13.333 1062 HA VAL 137 HA VAL 137 5.380 -1.352 14.348 1063 HB VAL 137 HB VAL 137 6.709 0.615 13.777 1064 1HG1 VAL 137 1HG1 VAL 137 5.896 0.501 11.150 1065 2HG1 VAL 137 2HG1 VAL 137 6.971 -0.671 11.950 1066 3HG1 VAL 137 3HG1 VAL 137 5.227 -1.007 11.819 1067 1HG2 VAL 137 1HG2 VAL 137 5.854 2.536 12.688 1068 2HG2 VAL 137 2HG2 VAL 137 4.274 1.770 12.399 1069 3HG2 VAL 137 3HG2 VAL 137 4.749 2.232 14.050 1070 H GLU 138 H GLU 138 2.840 0.987 15.032 1071 HA GLU 138 HA GLU 138 4.151 1.767 17.480 1072 1HB GLU 138 1HB GLU 138 1.930 2.804 15.802 1073 2HB GLU 138 2HB GLU 138 1.658 2.963 17.526 1074 1HG GLU 138 1HG GLU 138 4.409 3.708 16.708 1075 2HG GLU 138 2HG GLU 138 3.176 4.701 15.958
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