NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8339 | 1m2f | 5031 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -1.863 12.062 19.901 2 2H MET 1 HT2 MET 1 -0.653 11.391 20.887 3 3H MET 1 HT3 MET 1 -1.600 10.387 19.896 4 HA MET 1 HA MET 1 -0.390 12.344 18.262 5 1HB MET 1 HB2 MET 1 1.943 11.933 18.803 6 2HB MET 1 HB1 MET 1 1.128 12.448 20.281 7 1HG MET 1 HG2 MET 1 0.728 9.765 20.424 8 2HG MET 1 HG1 MET 1 2.273 9.807 19.576 9 1HE MET 1 HE1 MET 1 0.145 10.372 22.315 10 2HE MET 1 HE2 MET 1 0.756 11.861 23.033 11 3HE MET 1 HE3 MET 1 1.167 10.309 23.758 12 H LEU 2 HN LEU 2 1.469 10.860 16.997 13 HA LEU 2 HA LEU 2 -0.039 8.421 16.175 14 1HB LEU 2 HB2 LEU 2 0.701 10.344 14.620 15 2HB LEU 2 HB1 LEU 2 2.339 9.724 14.830 16 HG LEU 2 HG LEU 2 0.594 7.521 14.263 17 1HD1 LEU 2 HD11 LEU 2 0.549 8.991 11.781 18 2HD1 LEU 2 HD12 LEU 2 -0.290 9.911 13.030 19 3HD1 LEU 2 HD13 LEU 2 -0.798 8.264 12.657 20 1HD2 LEU 2 HD21 LEU 2 3.109 7.890 13.859 21 2HD2 LEU 2 HD22 LEU 2 2.626 8.777 12.413 22 3HD2 LEU 2 HD23 LEU 2 2.209 7.071 12.583 23 H SER 3 HN SER 3 0.697 6.541 17.115 24 HA SER 3 HA SER 3 3.202 6.316 18.505 25 1HB SER 3 HB2 SER 3 0.959 4.569 17.620 26 2HB SER 3 HB1 SER 3 2.468 3.759 18.036 27 HG SER 3 HG SER 3 2.401 4.883 20.039 28 H GLN 4 HN GLN 4 2.223 4.446 15.644 29 HA GLN 4 HA GLN 4 4.788 5.066 14.310 30 1HB GLN 4 HB2 GLN 4 3.909 2.325 15.262 31 2HB GLN 4 HB1 GLN 4 5.228 2.580 14.118 32 1HG GLN 4 HG2 GLN 4 6.250 4.153 15.841 33 2HG GLN 4 HG1 GLN 4 5.055 3.536 16.980 34 1HE2 GLN 4 HE21 GLN 4 8.199 3.046 15.958 35 2HE2 GLN 4 HE22 GLN 4 8.375 1.415 16.394 36 H ILE 5 HN ILE 5 4.808 3.957 12.089 37 HA ILE 5 HA ILE 5 2.037 4.013 10.967 38 HB ILE 5 HB ILE 5 4.787 4.381 9.726 39 1HG1 ILE 5 HG12 ILE 5 2.640 6.465 10.212 40 2HG1 ILE 5 HG11 ILE 5 3.937 6.158 11.369 41 1HG2 ILE 5 HG21 ILE 5 2.741 3.519 8.326 42 2HG2 ILE 5 HG22 ILE 5 3.716 4.850 7.699 43 3HG2 ILE 5 HG23 ILE 5 2.172 5.180 8.483 44 1HD1 ILE 5 HD11 ILE 5 4.449 6.789 8.454 45 2HD1 ILE 5 HD12 ILE 5 5.622 6.763 9.771 46 3HD1 ILE 5 HD13 ILE 5 4.394 8.028 9.709 47 H ALA 6 HN ALA 6 1.232 2.125 10.060 48 HA ALA 6 HA ALA 6 2.974 -0.266 10.077 49 1HB ALA 6 HB1 ALA 6 0.295 -0.731 9.184 50 2HB ALA 6 HB2 ALA 6 0.243 0.382 10.550 51 3HB ALA 6 HB3 ALA 6 1.024 -1.189 10.723 52 H ILE 7 HN ILE 7 4.049 -0.741 8.222 53 HA ILE 7 HA ILE 7 2.728 -0.035 5.628 54 HB ILE 7 HB ILE 7 5.671 -0.231 6.332 55 1HG1 ILE 7 HG12 ILE 7 3.773 2.113 6.050 56 2HG1 ILE 7 HG11 ILE 7 4.743 1.678 7.458 57 1HG2 ILE 7 HG21 ILE 7 4.247 0.783 3.848 58 2HG2 ILE 7 HG22 ILE 7 5.191 -0.704 3.958 59 3HG2 ILE 7 HG23 ILE 7 5.986 0.861 4.131 60 1HD1 ILE 7 HD11 ILE 7 5.948 2.414 4.779 61 2HD1 ILE 7 HD12 ILE 7 6.787 2.224 6.318 62 3HD1 ILE 7 HD13 ILE 7 5.684 3.577 6.076 63 H CYS 8 HN CYS 8 2.108 -1.831 4.534 64 HA CYS 8 HA CYS 8 3.467 -4.426 5.128 65 1HB CYS 8 HB2 CYS 8 1.027 -4.208 5.482 66 2HB CYS 8 HB1 CYS 8 0.826 -3.728 3.800 67 HG CYS 8 HG CYS 8 2.222 -6.427 4.047 68 H ILE 9 HN ILE 9 5.208 -4.538 3.661 69 HA ILE 9 HA ILE 9 4.714 -3.716 0.843 70 HB ILE 9 HB ILE 9 6.748 -2.959 1.966 71 1HG1 ILE 9 HG12 ILE 9 7.417 -5.184 0.013 72 2HG1 ILE 9 HG11 ILE 9 6.821 -3.602 -0.477 73 1HG2 ILE 9 HG21 ILE 9 7.821 -4.291 3.422 74 2HG2 ILE 9 HG22 ILE 9 8.134 -5.472 2.151 75 3HG2 ILE 9 HG23 ILE 9 6.641 -5.556 3.085 76 1HD1 ILE 9 HD11 ILE 9 9.501 -4.388 0.494 77 2HD1 ILE 9 HD12 ILE 9 8.879 -2.878 1.163 78 3HD1 ILE 9 HD13 ILE 9 9.035 -3.071 -0.584 79 H TRP 10 HN TRP 10 4.951 -5.114 -0.887 80 HA TRP 10 HA TRP 10 5.181 -8.038 -0.227 81 1HB TRP 10 HB2 TRP 10 2.889 -7.579 -0.849 82 2HB TRP 10 HB1 TRP 10 3.407 -6.606 -2.232 83 HD1 TRP 10 HD1 TRP 10 5.276 -9.797 -1.467 84 HE1 TRP 10 HE1 TRP 10 4.826 -11.528 -3.323 85 HE3 TRP 10 HE3 TRP 10 1.542 -7.413 -4.000 86 HZ2 TRP 10 HZ2 TRP 10 3.102 -11.859 -5.581 87 HZ3 TRP 10 HZ3 TRP 10 0.513 -8.457 -5.995 88 HH2 TRP 10 HH2 TRP 10 1.288 -10.675 -6.790 89 H VAL 11 HN VAL 11 7.242 -8.494 -0.923 90 HA VAL 11 HA VAL 11 7.871 -8.033 -3.774 91 HB VAL 11 HB VAL 11 8.443 -5.957 -2.531 92 1HG1 VAL 11 HG11 VAL 11 8.828 -6.893 -0.339 93 2HG1 VAL 11 HG12 VAL 11 10.299 -6.076 -0.865 94 3HG1 VAL 11 HG13 VAL 11 10.193 -7.834 -0.936 95 1HG2 VAL 11 HG21 VAL 11 9.907 -6.094 -4.305 96 2HG2 VAL 11 HG22 VAL 11 10.538 -7.657 -3.804 97 3HG2 VAL 11 HG23 VAL 11 11.070 -6.192 -2.985 98 H GLU 12 HN GLU 12 8.946 -9.850 -4.487 99 HA GLU 12 HA GLU 12 9.850 -11.837 -2.487 100 1HB GLU 12 HB2 GLU 12 9.388 -11.769 -5.465 101 2HB GLU 12 HB1 GLU 12 10.153 -13.158 -4.691 102 1HG GLU 12 HG2 GLU 12 8.156 -13.211 -3.110 103 2HG GLU 12 HG1 GLU 12 7.384 -12.045 -4.186 104 H SER 13 HN SER 13 11.345 -9.230 -3.665 105 HA SER 13 HA SER 13 13.969 -10.620 -4.069 106 1HB SER 13 HB2 SER 13 12.741 -9.065 -5.839 107 2HB SER 13 HB1 SER 13 13.412 -7.772 -4.848 108 HG SER 13 HG SER 13 14.771 -9.855 -6.209 109 H THR 14 HN THR 14 15.413 -10.308 -2.411 110 HA THR 14 HA THR 14 14.822 -8.822 -0.060 111 HB THR 14 HB THR 14 17.636 -9.340 -0.945 112 HG1 THR 14 HG1 THR 14 16.912 -11.200 -1.652 113 1HG2 THR 14 HG21 THR 14 18.013 -9.579 1.289 114 2HG2 THR 14 HG22 THR 14 16.501 -10.449 1.548 115 3HG2 THR 14 HG23 THR 14 16.497 -8.689 1.441 116 H ALA 15 HN ALA 15 16.992 -7.965 -2.798 117 HA ALA 15 HA ALA 15 17.927 -5.490 -1.825 118 1HB ALA 15 HB1 ALA 15 18.396 -5.020 -4.151 119 2HB ALA 15 HB2 ALA 15 17.127 -6.123 -4.682 120 3HB ALA 15 HB3 ALA 15 18.588 -6.758 -3.923 121 H ILE 16 HN ILE 16 15.058 -6.056 -3.901 122 HA ILE 16 HA ILE 16 14.092 -3.373 -3.857 123 HB ILE 16 HB ILE 16 12.707 -6.071 -4.113 124 1HG1 ILE 16 HG12 ILE 16 13.564 -4.100 -6.254 125 2HG1 ILE 16 HG11 ILE 16 14.533 -5.490 -5.765 126 1HG2 ILE 16 HG21 ILE 16 10.904 -4.802 -5.259 127 2HG2 ILE 16 HG22 ILE 16 11.718 -3.295 -4.840 128 3HG2 ILE 16 HG23 ILE 16 11.068 -4.329 -3.568 129 1HD1 ILE 16 HD11 ILE 16 11.657 -5.838 -6.598 130 2HD1 ILE 16 HD12 ILE 16 12.952 -7.033 -6.581 131 3HD1 ILE 16 HD13 ILE 16 12.943 -5.762 -7.803 132 H LEU 17 HN LEU 17 13.352 -6.177 -1.781 133 HA LEU 17 HA LEU 17 11.483 -4.897 -0.040 134 1HB LEU 17 HB2 LEU 17 11.611 -7.244 0.063 135 2HB LEU 17 HB1 LEU 17 13.363 -7.246 0.039 136 HG LEU 17 HG LEU 17 12.075 -7.817 2.256 137 1HD1 LEU 17 HD11 LEU 17 14.167 -5.846 2.867 138 2HD1 LEU 17 HD12 LEU 17 14.609 -7.003 1.614 139 3HD1 LEU 17 HD13 LEU 17 14.112 -7.577 3.202 140 1HD2 LEU 17 HD21 LEU 17 11.139 -5.213 1.853 141 2HD2 LEU 17 HD22 LEU 17 12.384 -5.038 3.089 142 3HD2 LEU 17 HD23 LEU 17 11.032 -6.136 3.349 143 H GLN 18 HN GLN 18 15.023 -5.243 0.121 144 HA GLN 18 HA GLN 18 15.331 -3.863 2.638 145 1HB GLN 18 HB2 GLN 18 17.145 -4.519 0.306 146 2HB GLN 18 HB1 GLN 18 17.738 -3.718 1.761 147 1HG GLN 18 HG2 GLN 18 17.022 -5.581 3.147 148 2HG GLN 18 HG1 GLN 18 16.255 -6.356 1.764 149 1HE2 GLN 18 HE21 GLN 18 19.514 -5.056 2.635 150 2HE2 GLN 18 HE22 GLN 18 20.370 -6.318 1.890 151 H ASP 19 HN ASP 19 15.781 -2.753 -0.764 152 HA ASP 19 HA ASP 19 16.449 -0.053 -0.034 153 1HB ASP 19 HB2 ASP 19 15.301 -1.350 -2.520 154 2HB ASP 19 HB1 ASP 19 15.795 0.341 -2.461 155 H CYS 20 HN CYS 20 13.359 -1.651 -0.782 156 HA CYS 20 HA CYS 20 11.713 0.703 -0.734 157 1HB CYS 20 HB2 CYS 20 11.235 -2.241 -0.188 158 2HB CYS 20 HB1 CYS 20 9.926 -1.060 -0.255 159 HG CYS 20 HG CYS 20 10.369 -2.163 -2.660 160 H GLN 21 HN GLN 21 12.766 -1.565 1.798 161 HA GLN 21 HA GLN 21 11.202 -0.179 3.878 162 1HB GLN 21 HB2 GLN 21 13.155 -2.491 3.773 163 2HB GLN 21 HB1 GLN 21 12.459 -1.914 5.288 164 1HG GLN 21 HG2 GLN 21 10.171 -2.185 4.182 165 2HG GLN 21 HG1 GLN 21 11.004 -3.068 2.904 166 1HE2 GLN 21 HE21 GLN 21 12.983 -4.077 5.071 167 2HE2 GLN 21 HE22 GLN 21 12.136 -5.338 5.829 168 H ARG 22 HN ARG 22 14.536 -0.397 2.744 169 HA ARG 22 HA ARG 22 15.967 0.824 4.820 170 1HB ARG 22 HB2 ARG 22 17.111 0.029 2.909 171 2HB ARG 22 HB1 ARG 22 16.051 0.905 1.807 172 1HG ARG 22 HG2 ARG 22 17.259 2.855 3.475 173 2HG ARG 22 HG1 ARG 22 18.545 1.765 2.956 174 1HD ARG 22 HD2 ARG 22 17.790 2.011 0.601 175 2HD ARG 22 HD1 ARG 22 16.557 3.168 1.140 176 HE ARG 22 HE ARG 22 18.871 4.166 2.260 177 1HH1 ARG 22 HH11 ARG 22 17.955 3.139 -0.909 178 2HH1 ARG 22 HH12 ARG 22 18.976 4.284 -1.714 179 1HH2 ARG 22 HH21 ARG 22 20.210 5.655 1.220 180 2HH2 ARG 22 HH22 ARG 22 20.252 5.706 -0.511 181 H ALA 23 HN ALA 23 14.462 2.501 2.030 182 HA ALA 23 HA ALA 23 14.760 5.148 2.999 183 1HB ALA 23 HB1 ALA 23 12.467 3.966 1.396 184 2HB ALA 23 HB2 ALA 23 14.052 4.311 0.711 185 3HB ALA 23 HB3 ALA 23 13.055 5.627 1.325 186 H LEU 24 HN LEU 24 12.144 2.749 3.469 187 HA LEU 24 HA LEU 24 10.700 4.488 5.362 188 1HB LEU 24 HB2 LEU 24 10.361 1.620 4.414 189 2HB LEU 24 HB1 LEU 24 9.173 2.518 5.363 190 HG LEU 24 HG LEU 24 10.225 3.358 2.651 191 1HD1 LEU 24 HD11 LEU 24 8.420 2.377 1.674 192 2HD1 LEU 24 HD12 LEU 24 7.363 2.733 3.040 193 3HD1 LEU 24 HD13 LEU 24 8.450 1.344 3.101 194 1HD2 LEU 24 HD21 LEU 24 9.629 5.322 3.803 195 2HD2 LEU 24 HD22 LEU 24 8.290 4.531 4.633 196 3HD2 LEU 24 HD23 LEU 24 8.163 4.905 2.917 197 H SER 25 HN SER 25 12.958 4.405 6.636 198 HA SER 25 HA SER 25 12.985 2.019 8.446 199 1HB SER 25 HB2 SER 25 15.336 2.584 8.768 200 2HB SER 25 HB1 SER 25 14.996 2.543 7.040 201 HG SER 25 HG SER 25 16.115 4.419 7.492 202 H ALA 26 HN ALA 26 12.031 5.251 8.326 203 HA ALA 26 HA ALA 26 12.729 6.641 10.556 204 1HB ALA 26 HB1 ALA 26 9.805 6.105 10.111 205 2HB ALA 26 HB2 ALA 26 10.747 6.836 8.813 206 3HB ALA 26 HB3 ALA 26 10.623 7.643 10.374 207 H ASP 27 HN ASP 27 12.394 6.537 12.801 208 HA ASP 27 HA ASP 27 12.263 4.000 14.066 209 1HB ASP 27 HB2 ASP 27 11.522 6.687 15.255 210 2HB ASP 27 HB1 ASP 27 12.221 5.305 16.094 211 H ARG 28 HN ARG 28 9.699 5.929 12.806 212 HA ARG 28 HA ARG 28 7.699 4.559 14.550 213 1HB ARG 28 HB2 ARG 28 6.215 6.345 13.822 214 2HB ARG 28 HB1 ARG 28 7.748 7.055 14.331 215 1HG ARG 28 HG2 ARG 28 8.490 7.124 11.962 216 2HG ARG 28 HG1 ARG 28 6.929 6.462 11.470 217 1HD ARG 28 HD2 ARG 28 5.758 8.414 12.119 218 2HD ARG 28 HD1 ARG 28 7.099 8.984 13.131 219 HE ARG 28 HE ARG 28 8.216 8.789 10.601 220 1HH1 ARG 28 HH11 ARG 28 5.428 10.308 11.959 221 2HH1 ARG 28 HH12 ARG 28 5.474 11.654 10.871 222 1HH2 ARG 28 HH21 ARG 28 8.284 10.551 9.176 223 2HH2 ARG 28 HH22 ARG 28 7.081 11.791 9.300 224 H TYR 29 HN TYR 29 9.136 3.324 12.129 225 HA TYR 29 HA TYR 29 6.744 2.897 10.387 226 1HB TYR 29 HB2 TYR 29 9.701 2.891 10.019 227 2HB TYR 29 HB1 TYR 29 8.757 1.805 9.002 228 HD1 TYR 29 HD1 TYR 29 6.231 3.452 8.762 229 HD2 TYR 29 HD2 TYR 29 10.364 4.530 8.457 230 HE1 TYR 29 HE1 TYR 29 5.617 5.365 7.324 231 HE2 TYR 29 HE2 TYR 29 9.763 6.445 7.018 232 HH TYR 29 HH TYR 29 8.120 7.602 6.092 233 H GLN 30 HN GLN 30 5.858 0.915 10.204 234 HA GLN 30 HA GLN 30 7.208 -1.390 11.589 235 1HB GLN 30 HB2 GLN 30 5.168 -0.625 12.742 236 2HB GLN 30 HB1 GLN 30 4.265 -0.715 11.233 237 1HG GLN 30 HG2 GLN 30 4.975 -3.192 11.158 238 2HG GLN 30 HG1 GLN 30 5.418 -2.984 12.853 239 1HE2 GLN 30 HE21 GLN 30 3.096 -0.921 13.051 240 2HE2 GLN 30 HE22 GLN 30 1.715 -1.896 13.208 241 H LEU 31 HN LEU 31 8.246 -1.934 9.574 242 HA LEU 31 HA LEU 31 6.682 -2.292 7.141 243 1HB LEU 31 HB2 LEU 31 9.474 -3.257 7.767 244 2HB LEU 31 HB1 LEU 31 8.815 -2.793 6.200 245 HG LEU 31 HG LEU 31 9.481 -1.000 8.538 246 1HD1 LEU 31 HD11 LEU 31 11.338 -0.657 7.325 247 2HD1 LEU 31 HD12 LEU 31 10.340 -0.024 6.014 248 3HD1 LEU 31 HD13 LEU 31 10.742 -1.741 6.071 249 1HD2 LEU 31 HD21 LEU 31 8.553 0.817 6.952 250 2HD2 LEU 31 HD22 LEU 31 7.375 -0.157 7.831 251 3HD2 LEU 31 HD23 LEU 31 7.715 -0.502 6.135 252 H GLN 32 HN GLN 32 5.680 -4.109 6.510 253 HA GLN 32 HA GLN 32 6.367 -6.702 7.856 254 1HB GLN 32 HB2 GLN 32 4.078 -5.446 8.196 255 2HB GLN 32 HB1 GLN 32 3.720 -6.040 6.575 256 1HG GLN 32 HG2 GLN 32 4.507 -7.739 8.959 257 2HG GLN 32 HG1 GLN 32 2.894 -7.626 8.255 258 1HE2 GLN 32 HE21 GLN 32 5.164 -9.846 8.394 259 2HE2 GLN 32 HE22 GLN 32 5.170 -10.452 6.809 260 H VAL 33 HN VAL 33 7.486 -7.924 6.330 261 HA VAL 33 HA VAL 33 7.035 -7.396 3.456 262 HB VAL 33 HB VAL 33 8.891 -9.356 4.835 263 1HG1 VAL 33 HG11 VAL 33 9.634 -9.811 2.755 264 2HG1 VAL 33 HG12 VAL 33 9.831 -8.093 2.403 265 3HG1 VAL 33 HG13 VAL 33 8.277 -8.879 2.127 266 1HG2 VAL 33 HG21 VAL 33 9.314 -6.445 4.080 267 2HG2 VAL 33 HG22 VAL 33 10.587 -7.538 4.624 268 3HG2 VAL 33 HG23 VAL 33 9.274 -7.099 5.717 269 H CYS 34 HN CYS 34 5.934 -8.751 2.103 270 HA CYS 34 HA CYS 34 4.736 -11.224 3.302 271 1HB CYS 34 HB2 CYS 34 3.938 -9.202 1.227 272 2HB CYS 34 HB1 CYS 34 3.229 -10.816 1.172 273 HG CYS 34 HG CYS 34 2.341 -8.686 3.036 274 H GLU 35 HN GLU 35 5.811 -13.055 2.664 275 HA GLU 35 HA GLU 35 7.686 -13.224 0.531 276 1HB GLU 35 HB2 GLU 35 5.996 -15.339 1.907 277 2HB GLU 35 HB1 GLU 35 7.449 -15.664 0.962 278 1HG GLU 35 HG2 GLU 35 8.748 -14.207 2.510 279 2HG GLU 35 HG1 GLU 35 7.294 -13.987 3.482 280 H SER 36 HN SER 36 4.183 -13.553 0.568 281 HA SER 36 HA SER 36 4.275 -14.132 -2.379 282 1HB SER 36 HB2 SER 36 1.901 -15.200 -1.375 283 2HB SER 36 HB1 SER 36 3.347 -16.113 -1.795 284 HG SER 36 HG SER 36 4.054 -15.859 0.339 285 H GLY 37 HN GLY 37 1.579 -13.903 -2.931 286 1HA GLY 37 HA2 GLY 37 1.034 -11.044 -2.258 287 2HA GLY 37 HA1 GLY 37 0.434 -11.874 -3.703 288 H GLU 38 HN GLU 38 -0.091 -14.310 -2.145 289 HA GLU 38 HA GLU 38 -2.829 -13.813 -1.372 290 1HB GLU 38 HB2 GLU 38 -0.821 -16.063 -1.291 291 2HB GLU 38 HB1 GLU 38 -2.386 -16.255 -0.522 292 1HG GLU 38 HG2 GLU 38 -3.491 -15.668 -2.678 293 2HG GLU 38 HG1 GLU 38 -1.898 -15.577 -3.432 294 H MET 39 HN MET 39 0.251 -14.364 0.269 295 HA MET 39 HA MET 39 -0.664 -14.437 2.952 296 1HB MET 39 HB2 MET 39 1.864 -13.710 1.495 297 2HB MET 39 HB1 MET 39 1.785 -13.461 3.236 298 1HG MET 39 HG2 MET 39 1.003 -15.872 3.435 299 2HG MET 39 HG1 MET 39 1.405 -16.060 1.728 300 1HE MET 39 HE1 MET 39 2.436 -15.187 5.200 301 2HE MET 39 HE2 MET 39 3.326 -13.842 4.487 302 3HE MET 39 HE3 MET 39 4.206 -15.172 5.236 303 H LEU 40 HN LEU 40 0.141 -11.749 0.794 304 HA LEU 40 HA LEU 40 -0.046 -9.629 2.708 305 1HB LEU 40 HB2 LEU 40 0.967 -9.253 0.574 306 2HB LEU 40 HB1 LEU 40 -0.435 -9.888 -0.283 307 HG LEU 40 HG LEU 40 -1.780 -7.982 0.382 308 1HD1 LEU 40 HD11 LEU 40 0.511 -6.560 1.635 309 2HD1 LEU 40 HD12 LEU 40 -0.249 -7.825 2.595 310 3HD1 LEU 40 HD13 LEU 40 -1.209 -6.470 2.008 311 1HD2 LEU 40 HD21 LEU 40 -0.210 -6.100 -0.540 312 2HD2 LEU 40 HD22 LEU 40 -0.639 -7.447 -1.594 313 3HD2 LEU 40 HD23 LEU 40 0.932 -7.419 -0.793 314 H LEU 41 HN LEU 41 -2.467 -11.366 0.804 315 HA LEU 41 HA LEU 41 -4.677 -9.603 1.226 316 1HB LEU 41 HB2 LEU 41 -4.583 -12.627 0.926 317 2HB LEU 41 HB1 LEU 41 -5.977 -11.602 0.594 318 HG LEU 41 HG LEU 41 -3.317 -11.328 -0.820 319 1HD1 LEU 41 HD11 LEU 41 -5.769 -12.423 -2.141 320 2HD1 LEU 41 HD12 LEU 41 -4.812 -13.504 -1.129 321 3HD1 LEU 41 HD13 LEU 41 -4.070 -12.711 -2.518 322 1HD2 LEU 41 HD21 LEU 41 -4.445 -9.286 -1.048 323 2HD2 LEU 41 HD22 LEU 41 -6.032 -10.057 -1.074 324 3HD2 LEU 41 HD23 LEU 41 -4.967 -10.175 -2.476 325 H GLU 42 HN GLU 42 -3.597 -12.497 3.046 326 HA GLU 42 HA GLU 42 -5.640 -12.460 5.035 327 1HB GLU 42 HB2 GLU 42 -2.859 -13.501 4.722 328 2HB GLU 42 HB1 GLU 42 -3.537 -13.492 6.350 329 1HG GLU 42 HG2 GLU 42 -5.146 -15.052 5.847 330 2HG GLU 42 HG1 GLU 42 -5.289 -14.515 4.173 331 H TYR 43 HN TYR 43 -2.459 -10.851 4.957 332 HA TYR 43 HA TYR 43 -2.597 -9.682 7.568 333 1HB TYR 43 HB2 TYR 43 -0.511 -9.844 6.444 334 2HB TYR 43 HB1 TYR 43 -1.148 -9.087 4.985 335 HD1 TYR 43 HD1 TYR 43 0.452 -8.547 8.171 336 HD2 TYR 43 HD2 TYR 43 -1.856 -6.652 5.087 337 HE1 TYR 43 HE1 TYR 43 1.169 -6.323 9.002 338 HE2 TYR 43 HE2 TYR 43 -1.141 -4.429 5.917 339 HH TYR 43 HH TYR 43 1.410 -4.001 8.070 340 H ALA 44 HN ALA 44 -3.464 -8.348 4.343 341 HA ALA 44 HA ALA 44 -4.458 -5.845 5.474 342 1HB ALA 44 HB1 ALA 44 -3.461 -6.514 3.118 343 2HB ALA 44 HB2 ALA 44 -4.714 -5.278 3.219 344 3HB ALA 44 HB3 ALA 44 -5.137 -6.925 2.751 345 H GLN 45 HN GLN 45 -5.729 -9.012 5.108 346 HA GLN 45 HA GLN 45 -8.538 -8.238 4.759 347 1HB GLN 45 HB2 GLN 45 -6.899 -10.710 5.100 348 2HB GLN 45 HB1 GLN 45 -8.624 -10.815 5.455 349 1HG GLN 45 HG2 GLN 45 -9.217 -10.098 3.271 350 2HG GLN 45 HG1 GLN 45 -7.563 -9.605 2.909 351 1HE2 GLN 45 HE21 GLN 45 -8.152 -11.225 0.996 352 2HE2 GLN 45 HE22 GLN 45 -7.732 -12.847 1.260 353 H THR 46 HN THR 46 -6.470 -8.216 7.452 354 HA THR 46 HA THR 46 -8.858 -8.433 9.257 355 HB THR 46 HB THR 46 -7.675 -9.939 10.658 356 HG1 THR 46 HG1 THR 46 -5.352 -9.389 9.130 357 1HG2 THR 46 HG21 THR 46 -6.837 -10.596 7.812 358 2HG2 THR 46 HG22 THR 46 -8.407 -10.975 8.523 359 3HG2 THR 46 HG23 THR 46 -6.948 -11.745 9.146 360 H HIS 47 HN HIS 47 -6.832 -6.262 8.142 361 HA HIS 47 HA HIS 47 -6.847 -4.647 10.580 362 1HB HIS 47 HB2 HIS 47 -4.450 -6.152 9.622 363 2HB HIS 47 HB1 HIS 47 -4.188 -4.523 10.235 364 HD1 HIS 47 HD1 HIS 47 -3.398 -7.326 11.671 365 HD2 HIS 47 HD2 HIS 47 -6.581 -4.814 12.649 366 HE1 HIS 47 HE1 HIS 47 -4.004 -7.839 14.078 367 H ARG 48 HN ARG 48 -7.644 -4.518 7.684 368 HA ARG 48 HA ARG 48 -6.126 -3.006 5.944 369 1HB ARG 48 HB2 ARG 48 -8.836 -1.888 6.518 370 2HB ARG 48 HB1 ARG 48 -8.124 -2.345 4.976 371 1HG ARG 48 HG2 ARG 48 -8.371 -4.758 5.714 372 2HG ARG 48 HG1 ARG 48 -9.334 -4.158 7.064 373 1HD ARG 48 HD2 ARG 48 -10.703 -2.901 5.221 374 2HD ARG 48 HD1 ARG 48 -9.979 -4.092 4.121 375 HE ARG 48 HE ARG 48 -11.026 -5.309 6.551 376 1HH1 ARG 48 HH11 ARG 48 -11.751 -4.133 3.381 377 2HH1 ARG 48 HH12 ARG 48 -13.134 -5.158 3.183 378 1HH2 ARG 48 HH21 ARG 48 -12.819 -6.651 6.296 379 2HH2 ARG 48 HH22 ARG 48 -13.736 -6.585 4.828 380 H ASP 49 HN ASP 49 -8.049 -1.671 8.597 381 HA ASP 49 HA ASP 49 -7.232 1.048 8.326 382 1HB ASP 49 HB2 ASP 49 -9.178 0.056 9.595 383 2HB ASP 49 HB1 ASP 49 -8.033 -0.433 10.844 384 H GLN 50 HN GLN 50 -5.833 -1.603 10.281 385 HA GLN 50 HA GLN 50 -3.959 0.034 11.712 386 1HB GLN 50 HB2 GLN 50 -3.725 -2.879 10.895 387 2HB GLN 50 HB1 GLN 50 -2.919 -2.103 12.256 388 1HG GLN 50 HG2 GLN 50 -5.915 -2.459 11.927 389 2HG GLN 50 HG1 GLN 50 -4.878 -3.335 13.053 390 1HE2 GLN 50 HE21 GLN 50 -7.009 -0.785 12.949 391 2HE2 GLN 50 HE22 GLN 50 -6.406 0.138 14.241 392 H ILE 51 HN ILE 51 -4.029 -1.082 8.434 393 HA ILE 51 HA ILE 51 -1.137 -0.926 7.988 394 HB ILE 51 HB ILE 51 -3.365 -0.844 5.945 395 1HG1 ILE 51 HG12 ILE 51 -4.131 -2.679 7.126 396 2HG1 ILE 51 HG11 ILE 51 -2.958 -3.461 6.078 397 1HG2 ILE 51 HG21 ILE 51 -0.537 -1.916 5.995 398 2HG2 ILE 51 HG22 ILE 51 -1.190 -0.639 4.969 399 3HG2 ILE 51 HG23 ILE 51 -1.688 -2.312 4.719 400 1HD1 ILE 51 HD11 ILE 51 -2.892 -3.069 9.003 401 2HD1 ILE 51 HD12 ILE 51 -1.368 -2.738 8.183 402 3HD1 ILE 51 HD13 ILE 51 -2.132 -4.317 8.018 403 H ASP 52 HN ASP 52 -0.056 0.988 7.687 404 HA ASP 52 HA ASP 52 -1.635 3.459 7.236 405 1HB ASP 52 HB2 ASP 52 1.053 2.699 8.283 406 2HB ASP 52 HB1 ASP 52 0.872 4.308 7.585 407 H CYS 53 HN CYS 53 0.753 1.437 5.573 408 HA CYS 53 HA CYS 53 0.236 2.893 3.059 409 1HB CYS 53 HB2 CYS 53 2.213 3.815 4.734 410 2HB CYS 53 HB1 CYS 53 3.115 2.712 3.696 411 HG CYS 53 HG CYS 53 1.341 4.968 2.447 412 H LEU 54 HN LEU 54 0.291 1.357 1.405 413 HA LEU 54 HA LEU 54 1.644 -1.243 2.064 414 1HB LEU 54 HB2 LEU 54 -0.720 -1.370 1.493 415 2HB LEU 54 HB1 LEU 54 -0.442 -0.457 0.007 416 HG LEU 54 HG LEU 54 1.262 -2.345 -0.563 417 1HD1 LEU 54 HD11 LEU 54 0.661 -3.222 1.938 418 2HD1 LEU 54 HD12 LEU 54 1.250 -4.274 0.650 419 3HD1 LEU 54 HD13 LEU 54 -0.480 -4.171 0.984 420 1HD2 LEU 54 HD21 LEU 54 -0.570 -3.730 -1.529 421 2HD2 LEU 54 HD22 LEU 54 -0.812 -2.005 -1.801 422 3HD2 LEU 54 HD23 LEU 54 -1.730 -2.837 -0.545 423 H ILE 55 HN ILE 55 3.389 -1.942 0.869 424 HA ILE 55 HA ILE 55 4.307 -0.164 -1.358 425 HB ILE 55 HB ILE 55 5.731 -2.323 0.221 426 1HG1 ILE 55 HG12 ILE 55 5.996 0.676 0.502 427 2HG1 ILE 55 HG11 ILE 55 4.995 -0.320 1.566 428 1HG2 ILE 55 HG21 ILE 55 6.437 -1.315 -2.204 429 2HG2 ILE 55 HG22 ILE 55 7.604 -1.864 -1.000 430 3HG2 ILE 55 HG23 ILE 55 7.213 -0.149 -1.133 431 1HD1 ILE 55 HD11 ILE 55 7.752 0.150 1.819 432 2HD1 ILE 55 HD12 ILE 55 7.614 -1.502 1.218 433 3HD1 ILE 55 HD13 ILE 55 6.797 -1.035 2.709 434 H LEU 56 HN LEU 56 4.211 -0.990 -3.425 435 HA LEU 56 HA LEU 56 3.894 -3.952 -3.708 436 1HB LEU 56 HB2 LEU 56 2.316 -1.666 -4.893 437 2HB LEU 56 HB1 LEU 56 2.256 -3.296 -5.557 438 HG LEU 56 HG LEU 56 1.560 -2.496 -2.718 439 1HD1 LEU 56 HD11 LEU 56 -0.571 -3.820 -3.937 440 2HD1 LEU 56 HD12 LEU 56 0.055 -2.759 -5.198 441 3HD1 LEU 56 HD13 LEU 56 -0.453 -2.084 -3.649 442 1HD2 LEU 56 HD21 LEU 56 0.688 -5.029 -2.935 443 2HD2 LEU 56 HD22 LEU 56 2.320 -4.652 -2.386 444 3HD2 LEU 56 HD23 LEU 56 2.041 -5.119 -4.062 445 H VAL 57 HN VAL 57 4.740 -4.817 -5.624 446 HA VAL 57 HA VAL 57 6.518 -2.967 -7.190 447 HB VAL 57 HB VAL 57 6.732 -5.932 -6.527 448 1HG1 VAL 57 HG11 VAL 57 8.661 -6.038 -7.809 449 2HG1 VAL 57 HG12 VAL 57 8.966 -4.304 -7.683 450 3HG1 VAL 57 HG13 VAL 57 7.710 -4.903 -8.766 451 1HG2 VAL 57 HG21 VAL 57 7.476 -5.050 -4.563 452 2HG2 VAL 57 HG22 VAL 57 7.714 -3.449 -5.261 453 3HG2 VAL 57 HG23 VAL 57 8.940 -4.698 -5.482 454 H ALA 58 HN ALA 58 5.510 -2.634 -9.180 455 HA ALA 58 HA ALA 58 3.462 -4.353 -10.244 456 1HB ALA 58 HB1 ALA 58 3.399 -2.143 -10.972 457 2HB ALA 58 HB2 ALA 58 4.151 -2.931 -12.359 458 3HB ALA 58 HB3 ALA 58 5.147 -2.061 -11.191 459 H ALA 59 HN ALA 59 6.929 -4.459 -10.401 460 HA ALA 59 HA ALA 59 7.463 -5.781 -12.808 461 1HB ALA 59 HB1 ALA 59 9.080 -4.992 -11.081 462 2HB ALA 59 HB2 ALA 59 9.409 -6.648 -11.596 463 3HB ALA 59 HB3 ALA 59 8.605 -6.346 -10.053 464 H ASN 60 HN ASN 60 5.656 -6.964 -10.066 465 HA ASN 60 HA ASN 60 6.039 -9.802 -10.609 466 1HB ASN 60 HB2 ASN 60 4.386 -8.028 -8.888 467 2HB ASN 60 HB1 ASN 60 3.776 -9.664 -9.146 468 1HD2 ASN 60 HD21 ASN 60 5.421 -11.468 -8.680 469 2HD2 ASN 60 HD22 ASN 60 6.548 -11.211 -7.436 470 HA PRO 61 HA PRO 61 3.200 -10.279 -13.908 471 1HB PRO 61 HB2 PRO 61 2.559 -12.916 -13.577 472 2HB PRO 61 HB1 PRO 61 4.126 -12.371 -14.202 473 1HG PRO 61 HG2 PRO 61 3.402 -13.342 -11.493 474 2HG PRO 61 HG1 PRO 61 4.899 -13.558 -12.411 475 1HD PRO 61 HD2 PRO 61 4.569 -11.749 -10.359 476 2HD PRO 61 HD1 PRO 61 5.796 -11.616 -11.636 477 H SER 62 HN SER 62 1.931 -12.228 -11.188 478 HA SER 62 HA SER 62 -0.815 -11.365 -11.828 479 1HB SER 62 HB2 SER 62 -1.365 -13.041 -10.098 480 2HB SER 62 HB1 SER 62 -0.231 -13.704 -11.269 481 HG SER 62 HG SER 62 1.321 -13.676 -9.798 482 H PHE 63 HN PHE 63 1.521 -9.724 -10.347 483 HA PHE 63 HA PHE 63 0.769 -9.122 -7.725 484 1HB PHE 63 HB2 PHE 63 2.685 -8.058 -8.392 485 2HB PHE 63 HB1 PHE 63 2.071 -7.718 -10.006 486 HD1 PHE 63 HD1 PHE 63 1.269 -6.818 -6.441 487 HD2 PHE 63 HD2 PHE 63 1.663 -5.497 -10.505 488 HE1 PHE 63 HE1 PHE 63 0.712 -4.509 -5.747 489 HE2 PHE 63 HE2 PHE 63 1.112 -3.186 -9.815 490 HZ PHE 63 HZ PHE 63 0.628 -2.687 -7.430 491 H ARG 64 HN ARG 64 -0.568 -7.672 -10.715 492 HA ARG 64 HA ARG 64 -2.364 -5.852 -9.495 493 1HB ARG 64 HB2 ARG 64 -2.195 -7.372 -12.074 494 2HB ARG 64 HB1 ARG 64 -3.687 -6.500 -11.717 495 1HG ARG 64 HG2 ARG 64 -2.314 -4.950 -12.897 496 2HG ARG 64 HG1 ARG 64 -2.206 -4.479 -11.200 497 1HD ARG 64 HD2 ARG 64 0.049 -4.481 -12.061 498 2HD ARG 64 HD1 ARG 64 -0.105 -5.942 -11.071 499 HE ARG 64 HE ARG 64 -0.037 -7.246 -13.050 500 1HH1 ARG 64 HH11 ARG 64 -0.612 -3.904 -13.705 501 2HH1 ARG 64 HH12 ARG 64 -0.410 -4.072 -15.415 502 1HH2 ARG 64 HH21 ARG 64 0.214 -7.477 -15.280 503 2HH2 ARG 64 HH22 ARG 64 0.059 -6.091 -16.308 504 H ALA 65 HN ALA 65 -2.721 -9.304 -10.247 505 HA ALA 65 HA ALA 65 -5.457 -9.644 -9.557 506 1HB ALA 65 HB1 ALA 65 -3.939 -11.304 -10.643 507 2HB ALA 65 HB2 ALA 65 -4.777 -11.995 -9.254 508 3HB ALA 65 HB3 ALA 65 -3.090 -11.499 -9.111 509 H VAL 66 HN VAL 66 -2.534 -9.913 -7.523 510 HA VAL 66 HA VAL 66 -3.832 -10.455 -5.044 511 HB VAL 66 HB VAL 66 -1.248 -9.099 -5.872 512 1HG1 VAL 66 HG11 VAL 66 -1.038 -10.178 -3.251 513 2HG1 VAL 66 HG12 VAL 66 -2.468 -9.143 -3.273 514 3HG1 VAL 66 HG13 VAL 66 -0.898 -8.488 -3.738 515 1HG2 VAL 66 HG21 VAL 66 -1.618 -11.514 -6.445 516 2HG2 VAL 66 HG22 VAL 66 -1.802 -11.850 -4.724 517 3HG2 VAL 66 HG23 VAL 66 -0.262 -11.262 -5.346 518 H VAL 67 HN VAL 67 -2.887 -7.373 -6.585 519 HA VAL 67 HA VAL 67 -3.793 -5.658 -4.473 520 HB VAL 67 HB VAL 67 -3.623 -5.207 -7.470 521 1HG1 VAL 67 HG11 VAL 67 -4.244 -3.490 -5.154 522 2HG1 VAL 67 HG12 VAL 67 -4.600 -3.244 -6.864 523 3HG1 VAL 67 HG13 VAL 67 -3.004 -2.843 -6.227 524 1HG2 VAL 67 HG21 VAL 67 -1.366 -4.967 -7.254 525 2HG2 VAL 67 HG22 VAL 67 -1.577 -5.959 -5.811 526 3HG2 VAL 67 HG23 VAL 67 -1.504 -4.202 -5.671 527 H GLN 68 HN GLN 68 -5.422 -7.081 -7.310 528 HA GLN 68 HA GLN 68 -7.823 -5.594 -7.197 529 1HB GLN 68 HB2 GLN 68 -8.399 -7.064 -8.846 530 2HB GLN 68 HB1 GLN 68 -6.751 -7.653 -8.679 531 1HG GLN 68 HG2 GLN 68 -7.579 -9.307 -6.980 532 2HG GLN 68 HG1 GLN 68 -9.221 -8.775 -7.331 533 1HE2 GLN 68 HE21 GLN 68 -9.735 -10.953 -8.224 534 2HE2 GLN 68 HE22 GLN 68 -9.165 -11.401 -9.759 535 H GLN 69 HN GLN 69 -6.803 -8.492 -5.362 536 HA GLN 69 HA GLN 69 -9.286 -8.914 -4.000 537 1HB GLN 69 HB2 GLN 69 -6.386 -9.407 -3.302 538 2HB GLN 69 HB1 GLN 69 -7.704 -9.949 -2.268 539 1HG GLN 69 HG2 GLN 69 -7.399 -10.689 -5.189 540 2HG GLN 69 HG1 GLN 69 -6.928 -11.723 -3.840 541 1HE2 GLN 69 HE21 GLN 69 -8.699 -13.111 -5.077 542 2HE2 GLN 69 HE22 GLN 69 -10.292 -12.926 -4.523 543 H LEU 70 HN LEU 70 -6.379 -7.011 -3.032 544 HA LEU 70 HA LEU 70 -7.317 -6.018 -0.571 545 1HB LEU 70 HB2 LEU 70 -5.581 -4.994 -2.793 546 2HB LEU 70 HB1 LEU 70 -6.046 -3.855 -1.529 547 HG LEU 70 HG LEU 70 -5.173 -6.452 -0.472 548 1HD1 LEU 70 HD11 LEU 70 -3.392 -6.713 -1.847 549 2HD1 LEU 70 HD12 LEU 70 -2.708 -5.316 -1.015 550 3HD1 LEU 70 HD13 LEU 70 -3.581 -5.099 -2.532 551 1HD2 LEU 70 HD21 LEU 70 -3.724 -3.938 0.139 552 2HD2 LEU 70 HD22 LEU 70 -4.428 -5.123 1.238 553 3HD2 LEU 70 HD23 LEU 70 -5.453 -3.907 0.478 554 H CYS 71 HN CYS 71 -7.822 -4.590 -3.820 555 HA CYS 71 HA CYS 71 -9.733 -2.604 -2.944 556 1HB CYS 71 HB2 CYS 71 -9.195 -3.926 -5.629 557 2HB CYS 71 HB1 CYS 71 -10.141 -2.456 -5.407 558 HG CYS 71 HG CYS 71 -7.302 -2.322 -5.818 559 H PHE 72 HN PHE 72 -9.956 -5.946 -4.063 560 HA PHE 72 HA PHE 72 -12.742 -6.145 -4.593 561 1HB PHE 72 HB2 PHE 72 -10.864 -7.777 -5.060 562 2HB PHE 72 HB1 PHE 72 -10.895 -8.208 -3.352 563 HD1 PHE 72 HD1 PHE 72 -13.013 -9.180 -2.364 564 HD2 PHE 72 HD2 PHE 72 -12.457 -8.647 -6.589 565 HE1 PHE 72 HE1 PHE 72 -14.853 -10.785 -2.809 566 HE2 PHE 72 HE2 PHE 72 -14.296 -10.248 -7.035 567 HZ PHE 72 HZ PHE 72 -15.492 -11.319 -5.146 568 H GLU 73 HN GLU 73 -10.928 -6.714 -1.564 569 HA GLU 73 HA GLU 73 -13.402 -7.169 -0.051 570 1HB GLU 73 HB2 GLU 73 -10.536 -6.756 0.852 571 2HB GLU 73 HB1 GLU 73 -11.835 -7.489 1.794 572 1HG GLU 73 HG2 GLU 73 -12.009 -9.094 -0.299 573 2HG GLU 73 HG1 GLU 73 -10.334 -8.598 -0.544 574 H GLY 74 HN GLY 74 -11.748 -4.453 -1.169 575 1HA GLY 74 HA2 GLY 74 -12.520 -2.210 -0.781 576 2HA GLY 74 HA1 GLY 74 -13.236 -2.749 0.738 577 H VAL 75 HN VAL 75 -10.073 -3.972 0.338 578 HA VAL 75 HA VAL 75 -9.096 -2.326 2.542 579 HB VAL 75 HB VAL 75 -7.583 -4.163 0.659 580 1HG1 VAL 75 HG11 VAL 75 -5.912 -4.200 2.266 581 2HG1 VAL 75 HG12 VAL 75 -7.026 -3.842 3.584 582 3HG1 VAL 75 HG13 VAL 75 -6.509 -2.556 2.492 583 1HG2 VAL 75 HG21 VAL 75 -9.783 -4.981 1.938 584 2HG2 VAL 75 HG22 VAL 75 -8.658 -5.087 3.292 585 3HG2 VAL 75 HG23 VAL 75 -8.356 -6.007 1.819 586 H VAL 76 HN VAL 76 -8.900 -0.146 1.911 587 HA VAL 76 HA VAL 76 -7.185 0.372 -0.490 588 HB VAL 76 HB VAL 76 -9.048 2.356 0.811 589 1HG1 VAL 76 HG11 VAL 76 -9.066 2.538 -1.982 590 2HG1 VAL 76 HG12 VAL 76 -7.392 2.157 -1.575 591 3HG1 VAL 76 HG13 VAL 76 -8.169 3.577 -0.874 592 1HG2 VAL 76 HG21 VAL 76 -10.602 1.474 -1.166 593 2HG2 VAL 76 HG22 VAL 76 -10.651 0.718 0.428 594 3HG2 VAL 76 HG23 VAL 76 -9.725 -0.028 -0.877 595 H VAL 77 HN VAL 77 -5.235 1.289 -0.070 596 HA VAL 77 HA VAL 77 -4.870 2.970 2.369 597 HB VAL 77 HB VAL 77 -2.714 1.569 2.708 598 1HG1 VAL 77 HG11 VAL 77 -5.291 1.329 3.718 599 2HG1 VAL 77 HG12 VAL 77 -3.845 0.571 4.384 600 3HG1 VAL 77 HG13 VAL 77 -4.871 -0.322 3.260 601 1HG2 VAL 77 HG21 VAL 77 -2.964 0.461 0.438 602 2HG2 VAL 77 HG22 VAL 77 -4.326 -0.436 1.107 603 3HG2 VAL 77 HG23 VAL 77 -2.712 -0.658 1.777 604 HA PRO 78 HA PRO 78 -2.239 5.267 -0.323 605 1HB PRO 78 HB2 PRO 78 -0.157 5.937 1.339 606 2HB PRO 78 HB1 PRO 78 -1.750 6.717 1.427 607 1HG PRO 78 HG2 PRO 78 -0.645 4.498 3.066 608 2HG PRO 78 HG1 PRO 78 -1.558 5.921 3.590 609 1HD PRO 78 HD2 PRO 78 -2.734 3.521 3.352 610 2HD PRO 78 HD1 PRO 78 -3.595 5.018 2.920 611 H ALA 79 HN ALA 79 -1.791 3.326 -1.533 612 HA ALA 79 HA ALA 79 0.527 1.685 -0.771 613 1HB ALA 79 HB1 ALA 79 -1.923 1.295 -1.929 614 2HB ALA 79 HB2 ALA 79 -0.586 0.149 -2.022 615 3HB ALA 79 HB3 ALA 79 -0.861 1.291 -3.337 616 H ILE 80 HN ILE 80 2.537 2.256 -1.461 617 HA ILE 80 HA ILE 80 2.873 4.119 -3.731 618 HB ILE 80 HB ILE 80 4.930 2.731 -1.976 619 1HG1 ILE 80 HG12 ILE 80 3.596 5.421 -1.516 620 2HG1 ILE 80 HG11 ILE 80 3.132 3.946 -0.671 621 1HG2 ILE 80 HG21 ILE 80 5.446 5.470 -2.813 622 2HG2 ILE 80 HG22 ILE 80 5.167 4.423 -4.203 623 3HG2 ILE 80 HG23 ILE 80 6.438 4.032 -3.046 624 1HD1 ILE 80 HD11 ILE 80 4.836 4.183 0.784 625 2HD1 ILE 80 HD12 ILE 80 5.183 5.746 0.049 626 3HD1 ILE 80 HD13 ILE 80 6.001 4.298 -0.535 627 H VAL 81 HN VAL 81 3.322 3.350 -5.789 628 HA VAL 81 HA VAL 81 3.844 0.424 -6.070 629 HB VAL 81 HB VAL 81 2.988 2.501 -8.104 630 1HG1 VAL 81 HG11 VAL 81 3.900 -0.097 -8.448 631 2HG1 VAL 81 HG12 VAL 81 2.907 0.800 -9.597 632 3HG1 VAL 81 HG13 VAL 81 2.146 -0.286 -8.430 633 1HG2 VAL 81 HG21 VAL 81 0.701 1.391 -7.686 634 2HG2 VAL 81 HG22 VAL 81 1.286 2.479 -6.427 635 3HG2 VAL 81 HG23 VAL 81 1.415 0.732 -6.213 636 H VAL 82 HN VAL 82 5.642 -0.342 -7.191 637 HA VAL 82 HA VAL 82 7.723 1.699 -7.906 638 HB VAL 82 HB VAL 82 8.099 -1.228 -7.237 639 1HG1 VAL 82 HG11 VAL 82 10.190 -0.625 -7.890 640 2HG1 VAL 82 HG12 VAL 82 10.271 0.211 -6.339 641 3HG1 VAL 82 HG13 VAL 82 9.817 1.096 -7.796 642 1HG2 VAL 82 HG21 VAL 82 7.906 1.174 -5.406 643 2HG2 VAL 82 HG22 VAL 82 8.671 -0.339 -4.922 644 3HG2 VAL 82 HG23 VAL 82 6.958 -0.310 -5.340 645 H GLY 83 HN GLY 83 8.554 1.646 -9.991 646 1HA GLY 83 HA2 GLY 83 9.227 0.346 -11.972 647 2HA GLY 83 HA1 GLY 83 7.831 -0.693 -11.699 648 H ASP 84 HN ASP 84 8.710 2.660 -12.526 649 HA ASP 84 HA ASP 84 6.233 2.773 -14.215 650 1HB ASP 84 HB2 ASP 84 6.096 4.008 -12.013 651 2HB ASP 84 HB1 ASP 84 7.418 5.032 -12.579 652 H ARG 85 HN ARG 85 6.686 3.361 -16.297 653 HA ARG 85 HA ARG 85 9.334 3.776 -17.275 654 1HB ARG 85 HB2 ARG 85 6.531 4.230 -18.299 655 2HB ARG 85 HB1 ARG 85 7.936 4.586 -19.306 656 1HG ARG 85 HG2 ARG 85 7.553 1.918 -17.935 657 2HG ARG 85 HG1 ARG 85 6.955 2.243 -19.562 658 1HD ARG 85 HD2 ARG 85 9.853 2.692 -18.773 659 2HD ARG 85 HD1 ARG 85 9.265 1.179 -19.493 660 HE ARG 85 HE ARG 85 8.452 3.604 -20.933 661 1HH1 ARG 85 HH11 ARG 85 10.789 1.091 -20.535 662 2HH1 ARG 85 HH12 ARG 85 11.375 1.206 -22.159 663 1HH2 ARG 85 HH21 ARG 85 9.213 3.762 -23.048 664 2HH2 ARG 85 HH22 ARG 85 10.487 2.716 -23.577 665 H ASP 86 HN ASP 86 10.362 5.718 -17.998 666 HA ASP 86 HA ASP 86 9.333 8.205 -16.692 667 1HB ASP 86 HB2 ASP 86 12.071 7.324 -17.665 668 2HB ASP 86 HB1 ASP 86 11.738 8.891 -16.923 669 H SER 87 HN SER 87 8.544 7.065 -19.433 670 HA SER 87 HA SER 87 9.402 9.422 -21.083 671 1HB SER 87 HB2 SER 87 8.971 6.511 -21.648 672 2HB SER 87 HB1 SER 87 8.687 7.669 -22.943 673 HG SER 87 HG SER 87 10.765 8.149 -22.984 674 H GLU 88 HN GLU 88 7.765 10.555 -22.164 675 HA GLU 88 HA GLU 88 5.062 10.341 -21.107 676 1HB GLU 88 HB2 GLU 88 4.722 12.300 -22.514 677 2HB GLU 88 HB1 GLU 88 6.301 12.432 -21.739 678 1HG GLU 88 HG2 GLU 88 7.004 11.087 -23.979 679 2HG GLU 88 HG1 GLU 88 5.630 12.004 -24.599 680 H ASP 89 HN ASP 89 6.611 8.480 -23.370 681 HA ASP 89 HA ASP 89 5.100 8.331 -25.686 682 1HB ASP 89 HB2 ASP 89 7.051 6.882 -24.582 683 2HB ASP 89 HB1 ASP 89 5.707 5.794 -24.227 684 HA PRO 90 HA PRO 90 1.002 7.535 -24.209 685 1HB PRO 90 HB2 PRO 90 -0.123 6.948 -26.638 686 2HB PRO 90 HB1 PRO 90 0.253 8.603 -26.115 687 1HG PRO 90 HG2 PRO 90 1.772 6.803 -27.936 688 2HG PRO 90 HG1 PRO 90 1.487 8.545 -28.054 689 1HD PRO 90 HD2 PRO 90 3.827 7.482 -27.171 690 2HD PRO 90 HD1 PRO 90 3.211 9.061 -26.633 691 H ASP 91 HN ASP 91 2.933 5.247 -26.030 692 HA ASP 91 HA ASP 91 1.155 3.008 -26.023 693 1HB ASP 91 HB2 ASP 91 4.151 3.390 -26.053 694 2HB ASP 91 HB1 ASP 91 3.434 1.778 -26.119 695 H GLU 92 HN GLU 92 3.587 4.070 -23.618 696 HA GLU 92 HA GLU 92 2.252 2.262 -21.627 697 1HB GLU 92 HB2 GLU 92 5.099 2.528 -22.498 698 2HB GLU 92 HB1 GLU 92 4.804 2.219 -20.788 699 1HG GLU 92 HG2 GLU 92 3.448 0.246 -21.372 700 2HG GLU 92 HG1 GLU 92 3.742 0.547 -23.086 701 HA PRO 93 HA PRO 93 2.766 6.585 -20.032 702 1HB PRO 93 HB2 PRO 93 0.124 7.119 -19.606 703 2HB PRO 93 HB1 PRO 93 0.928 7.416 -21.160 704 1HG PRO 93 HG2 PRO 93 -0.927 5.253 -20.379 705 2HG PRO 93 HG1 PRO 93 -0.664 6.006 -21.956 706 1HD PRO 93 HD2 PRO 93 0.333 3.526 -21.131 707 2HD PRO 93 HD1 PRO 93 0.875 4.454 -22.544 708 H ALA 94 HN ALA 94 2.154 3.633 -18.853 709 HA ALA 94 HA ALA 94 2.055 2.791 -16.639 710 1HB ALA 94 HB1 ALA 94 3.063 4.172 -15.100 711 2HB ALA 94 HB2 ALA 94 2.039 5.547 -15.515 712 3HB ALA 94 HB3 ALA 94 3.416 5.133 -16.537 713 H LYS 95 HN LYS 95 -0.179 2.146 -16.981 714 HA LYS 95 HA LYS 95 -2.420 3.921 -16.613 715 1HB LYS 95 HB2 LYS 95 -2.222 0.905 -16.297 716 2HB LYS 95 HB1 LYS 95 -3.675 1.829 -16.679 717 1HG LYS 95 HG2 LYS 95 -2.514 2.653 -18.757 718 2HG LYS 95 HG1 LYS 95 -1.204 1.528 -18.405 719 1HD LYS 95 HD2 LYS 95 -2.921 -0.323 -18.370 720 2HD LYS 95 HD1 LYS 95 -4.096 0.845 -18.974 721 1HE LYS 95 HE2 LYS 95 -1.488 0.612 -20.434 722 2HE LYS 95 HE1 LYS 95 -2.702 -0.659 -20.675 723 1HZ LYS 95 HZ1 LYS 95 -3.873 1.948 -20.622 724 2HZ LYS 95 HZ2 LYS 95 -4.012 0.729 -21.800 725 3HZ LYS 95 HZ3 LYS 95 -2.712 1.818 -21.850 726 H GLU 96 HN GLU 96 -3.901 3.932 -14.767 727 HA GLU 96 HA GLU 96 -2.477 3.573 -12.176 728 1HB GLU 96 HB2 GLU 96 -4.985 5.047 -13.038 729 2HB GLU 96 HB1 GLU 96 -4.379 5.026 -11.382 730 1HG GLU 96 HG2 GLU 96 -2.184 5.921 -12.279 731 2HG GLU 96 HG1 GLU 96 -2.996 6.151 -13.829 732 H GLN 97 HN GLN 97 -3.620 1.220 -13.603 733 HA GLN 97 HA GLN 97 -5.998 0.546 -11.948 734 1HB GLN 97 HB2 GLN 97 -6.290 -1.228 -13.542 735 2HB GLN 97 HB1 GLN 97 -5.807 0.196 -14.465 736 1HG GLN 97 HG2 GLN 97 -3.457 -0.592 -14.419 737 2HG GLN 97 HG1 GLN 97 -3.974 -2.040 -13.554 738 1HE2 GLN 97 HE21 GLN 97 -6.566 -2.082 -15.188 739 2HE2 GLN 97 HE22 GLN 97 -6.104 -2.698 -16.701 740 H LEU 98 HN LEU 98 -2.684 0.331 -11.597 741 HA LEU 98 HA LEU 98 -2.228 -2.347 -10.713 742 1HB LEU 98 HB2 LEU 98 -1.060 0.319 -9.827 743 2HB LEU 98 HB1 LEU 98 -0.358 -1.253 -9.445 744 HG LEU 98 HG LEU 98 -0.756 -0.080 -12.212 745 1HD1 LEU 98 HD11 LEU 98 1.902 -0.977 -11.389 746 2HD1 LEU 98 HD12 LEU 98 1.271 0.300 -10.348 747 3HD1 LEU 98 HD13 LEU 98 1.407 0.565 -12.086 748 1HD2 LEU 98 HD21 LEU 98 -0.488 -2.823 -11.283 749 2HD2 LEU 98 HD22 LEU 98 0.865 -2.371 -12.319 750 3HD2 LEU 98 HD23 LEU 98 -0.787 -2.225 -12.915 751 H TYR 99 HN TYR 99 -3.598 0.505 -9.227 752 HA TYR 99 HA TYR 99 -4.782 -1.137 -7.095 753 1HB TYR 99 HB2 TYR 99 -2.331 -0.324 -6.583 754 2HB TYR 99 HB1 TYR 99 -3.109 1.228 -6.288 755 HD1 TYR 99 HD1 TYR 99 -1.664 -0.201 -4.122 756 HD2 TYR 99 HD2 TYR 99 -5.751 -0.516 -5.418 757 HE1 TYR 99 HE1 TYR 99 -2.334 -0.946 -1.852 758 HE2 TYR 99 HE2 TYR 99 -6.410 -1.265 -3.141 759 HH TYR 99 HH TYR 99 -5.737 -1.586 -1.049 760 H HIS 100 HN HIS 100 -5.013 1.538 -5.555 761 HA HIS 100 HA HIS 100 -7.395 2.492 -7.057 762 1HB HIS 100 HB2 HIS 100 -7.682 3.792 -4.830 763 2HB HIS 100 HB1 HIS 100 -7.858 2.042 -4.786 764 HD2 HIS 100 HD2 HIS 100 -5.028 4.700 -3.864 765 HE1 HIS 100 HE1 HIS 100 -4.279 1.106 -1.770 766 HE2 HIS 100 HE2 HIS 100 -3.513 3.466 -2.166 767 H SER 101 HN SER 101 -7.739 4.999 -6.744 768 HA SER 101 HA SER 101 -5.703 6.342 -8.269 769 1HB SER 101 HB2 SER 101 -8.300 6.693 -7.932 770 2HB SER 101 HB1 SER 101 -7.784 7.751 -6.622 771 HG SER 101 HG SER 101 -6.408 8.056 -8.995 772 H ALA 102 HN ALA 102 -6.073 5.831 -4.859 773 HA ALA 102 HA ALA 102 -4.548 8.203 -4.047 774 1HB ALA 102 HB1 ALA 102 -5.908 7.613 -2.314 775 2HB ALA 102 HB2 ALA 102 -4.623 6.478 -1.909 776 3HB ALA 102 HB3 ALA 102 -6.012 5.937 -2.850 777 H GLU 103 HN GLU 103 -3.773 5.020 -5.144 778 HA GLU 103 HA GLU 103 -1.394 4.465 -3.703 779 1HB GLU 103 HB2 GLU 103 -1.096 2.827 -5.376 780 2HB GLU 103 HB1 GLU 103 -2.836 3.103 -5.393 781 1HG GLU 103 HG2 GLU 103 -2.504 4.749 -7.256 782 2HG GLU 103 HG1 GLU 103 -0.799 4.298 -7.296 783 H LEU 104 HN LEU 104 0.686 5.247 -3.895 784 HA LEU 104 HA LEU 104 1.140 7.500 -5.791 785 1HB LEU 104 HB2 LEU 104 2.000 6.668 -3.111 786 2HB LEU 104 HB1 LEU 104 3.336 7.245 -4.110 787 HG LEU 104 HG LEU 104 1.983 9.283 -4.649 788 1HD1 LEU 104 HD11 LEU 104 -0.253 8.414 -4.266 789 2HD1 LEU 104 HD12 LEU 104 0.029 9.739 -3.136 790 3HD1 LEU 104 HD13 LEU 104 0.129 8.070 -2.578 791 1HD2 LEU 104 HD21 LEU 104 1.976 9.404 -1.725 792 2HD2 LEU 104 HD22 LEU 104 2.964 10.296 -2.880 793 3HD2 LEU 104 HD23 LEU 104 3.450 8.681 -2.365 794 H HIS 105 HN HIS 105 3.302 7.532 -6.918 795 HA HIS 105 HA HIS 105 4.123 4.745 -7.654 796 1HB HIS 105 HB2 HIS 105 4.214 7.342 -9.216 797 2HB HIS 105 HB1 HIS 105 4.661 5.753 -9.838 798 HD1 HIS 105 HD1 HIS 105 2.379 7.181 -11.243 799 HD2 HIS 105 HD2 HIS 105 1.774 4.656 -7.980 800 HE1 HIS 105 HE1 HIS 105 -0.031 6.411 -11.371 801 H LEU 106 HN LEU 106 6.358 4.313 -7.884 802 HA LEU 106 HA LEU 106 8.260 6.460 -7.056 803 1HB LEU 106 HB2 LEU 106 7.564 5.173 -5.076 804 2HB LEU 106 HB1 LEU 106 7.998 3.670 -5.891 805 HG LEU 106 HG LEU 106 10.350 4.530 -6.085 806 1HD1 LEU 106 HD11 LEU 106 9.398 6.652 -4.142 807 2HD1 LEU 106 HD12 LEU 106 9.664 6.952 -5.861 808 3HD1 LEU 106 HD13 LEU 106 11.014 6.482 -4.827 809 1HD2 LEU 106 HD21 LEU 106 9.996 3.006 -4.308 810 2HD2 LEU 106 HD22 LEU 106 9.023 4.162 -3.398 811 3HD2 LEU 106 HD23 LEU 106 10.767 4.388 -3.530 812 H GLY 107 HN GLY 107 9.955 6.491 -8.491 813 1HA GLY 107 HA2 GLY 107 10.247 4.693 -10.651 814 2HA GLY 107 HA1 GLY 107 11.540 5.736 -10.055 815 H ILE 108 HN ILE 108 11.740 2.916 -10.975 816 HA ILE 108 HA ILE 108 12.012 1.113 -8.784 817 HB ILE 108 HB ILE 108 13.280 1.359 -11.525 818 1HG1 ILE 108 HG12 ILE 108 11.061 -0.475 -10.607 819 2HG1 ILE 108 HG11 ILE 108 10.735 1.148 -11.217 820 1HG2 ILE 108 HG21 ILE 108 14.682 -0.196 -10.607 821 2HG2 ILE 108 HG22 ILE 108 13.338 -1.260 -11.029 822 3HG2 ILE 108 HG23 ILE 108 13.513 -0.672 -9.375 823 1HD1 ILE 108 HD11 ILE 108 10.645 0.069 -13.226 824 2HD1 ILE 108 HD12 ILE 108 11.647 -1.269 -12.668 825 3HD1 ILE 108 HD13 ILE 108 12.398 0.249 -13.156 826 H HIS 109 HN HIS 109 14.354 3.285 -10.388 827 HA HIS 109 HA HIS 109 16.471 2.503 -8.478 828 1HB HIS 109 HB2 HIS 109 17.851 3.931 -9.891 829 2HB HIS 109 HB1 HIS 109 16.837 2.935 -10.935 830 HD1 HIS 109 HD1 HIS 109 17.353 6.467 -9.793 831 HD2 HIS 109 HD2 HIS 109 14.762 4.365 -12.293 832 HE1 HIS 109 HE1 HIS 109 16.110 8.200 -11.160 833 H GLN 110 HN GLN 110 13.819 4.363 -8.190 834 HA GLN 110 HA GLN 110 15.150 6.646 -6.814 835 1HB GLN 110 HB2 GLN 110 12.375 6.029 -7.840 836 2HB GLN 110 HB1 GLN 110 12.665 7.386 -6.753 837 1HG GLN 110 HG2 GLN 110 14.674 7.582 -8.708 838 2HG GLN 110 HG1 GLN 110 13.201 7.182 -9.596 839 1HE2 GLN 110 HE21 GLN 110 11.292 8.636 -9.246 840 2HE2 GLN 110 HE22 GLN 110 11.547 10.244 -8.765 841 H LEU 111 HN LEU 111 14.959 3.797 -5.750 842 HA LEU 111 HA LEU 111 12.995 3.794 -3.632 843 1HB LEU 111 HB2 LEU 111 15.544 2.288 -4.256 844 2HB LEU 111 HB1 LEU 111 14.654 1.975 -2.771 845 HG LEU 111 HG LEU 111 14.153 0.892 -5.355 846 1HD1 LEU 111 HD11 LEU 111 13.712 0.237 -2.754 847 2HD1 LEU 111 HD12 LEU 111 12.992 -0.623 -4.118 848 3HD1 LEU 111 HD13 LEU 111 12.074 0.627 -3.276 849 1HD2 LEU 111 HD21 LEU 111 12.791 2.963 -5.770 850 2HD2 LEU 111 HD22 LEU 111 11.817 2.554 -4.357 851 3HD2 LEU 111 HD23 LEU 111 11.827 1.487 -5.761 852 H GLU 112 HN GLU 112 13.055 5.520 -2.364 853 HA GLU 112 HA GLU 112 14.866 5.810 -0.203 854 1HB GLU 112 HB2 GLU 112 16.065 7.875 -1.075 855 2HB GLU 112 HB1 GLU 112 16.515 6.385 -1.902 856 1HG GLU 112 HG2 GLU 112 14.816 6.900 -3.658 857 2HG GLU 112 HG1 GLU 112 14.520 8.446 -2.868 858 H GLN 113 HN GLN 113 12.632 7.232 -2.496 859 HA GLN 113 HA GLN 113 11.829 9.457 -0.739 860 1HB GLN 113 HB2 GLN 113 10.906 8.303 -3.381 861 2HB GLN 113 HB1 GLN 113 10.123 9.693 -2.631 862 1HG GLN 113 HG2 GLN 113 12.257 10.914 -2.635 863 2HG GLN 113 HG1 GLN 113 13.066 9.521 -3.350 864 1HE2 GLN 113 HE21 GLN 113 12.301 8.862 -5.570 865 2HE2 GLN 113 HE22 GLN 113 11.650 10.043 -6.601 866 H LEU 114 HN LEU 114 11.235 6.172 -0.700 867 HA LEU 114 HA LEU 114 8.469 5.828 -0.414 868 1HB LEU 114 HB2 LEU 114 10.833 4.610 1.017 869 2HB LEU 114 HB1 LEU 114 9.193 3.997 1.195 870 HG LEU 114 HG LEU 114 9.605 4.315 -1.578 871 1HD1 LEU 114 HD11 LEU 114 12.079 4.327 -0.814 872 2HD1 LEU 114 HD12 LEU 114 11.623 3.178 -2.072 873 3HD1 LEU 114 HD13 LEU 114 11.819 2.630 -0.406 874 1HD2 LEU 114 HD21 LEU 114 9.359 1.853 -1.563 875 2HD2 LEU 114 HD22 LEU 114 8.209 2.613 -0.462 876 3HD2 LEU 114 HD23 LEU 114 9.661 1.838 0.175 877 HA PRO 115 HA PRO 115 8.880 7.061 4.243 878 1HB PRO 115 HB2 PRO 115 10.876 8.871 4.803 879 2HB PRO 115 HB1 PRO 115 11.058 7.116 5.009 880 1HG PRO 115 HG2 PRO 115 11.929 8.851 2.736 881 2HG PRO 115 HG1 PRO 115 12.803 7.541 3.553 882 1HD PRO 115 HD2 PRO 115 11.615 7.144 1.203 883 2HD PRO 115 HD1 PRO 115 11.618 5.877 2.449 884 H TYR 116 HN TYR 116 10.295 9.679 2.215 885 HA TYR 116 HA TYR 116 8.455 11.682 3.118 886 1HB TYR 116 HB2 TYR 116 9.930 12.885 1.883 887 2HB TYR 116 HB1 TYR 116 10.655 11.379 1.329 888 HD1 TYR 116 HD1 TYR 116 10.750 11.044 -0.955 889 HD2 TYR 116 HD2 TYR 116 7.565 13.418 0.672 890 HE1 TYR 116 HE1 TYR 116 9.896 11.459 -3.243 891 HE2 TYR 116 HE2 TYR 116 6.709 13.837 -1.619 892 HH TYR 116 HH TYR 116 6.852 12.646 -3.888 893 H GLN 117 HN GLN 117 8.389 9.365 0.442 894 HA GLN 117 HA GLN 117 5.972 10.229 -0.810 895 1HB GLN 117 HB2 GLN 117 7.447 7.602 -0.586 896 2HB GLN 117 HB1 GLN 117 5.990 7.770 -1.563 897 1HG GLN 117 HG2 GLN 117 8.109 9.823 -1.953 898 2HG GLN 117 HG1 GLN 117 8.440 8.207 -2.576 899 1HE2 GLN 117 HE21 GLN 117 7.752 10.800 -4.048 900 2HE2 GLN 117 HE22 GLN 117 6.424 10.393 -5.023 901 H VAL 118 HN VAL 118 6.585 7.879 1.793 902 HA VAL 118 HA VAL 118 3.962 6.912 2.158 903 HB VAL 118 HB VAL 118 6.358 7.417 3.901 904 1HG1 VAL 118 HG11 VAL 118 4.742 5.925 5.535 905 2HG1 VAL 118 HG12 VAL 118 3.582 7.059 4.843 906 3HG1 VAL 118 HG13 VAL 118 4.994 7.663 5.711 907 1HG2 VAL 118 HG21 VAL 118 5.879 5.435 2.250 908 2HG2 VAL 118 HG22 VAL 118 4.839 4.848 3.548 909 3HG2 VAL 118 HG23 VAL 118 6.560 5.088 3.839 910 H ASP 119 HN ASP 119 5.491 9.810 3.642 911 HA ASP 119 HA ASP 119 3.188 10.715 5.056 912 1HB ASP 119 HB2 ASP 119 5.494 12.194 3.735 913 2HB ASP 119 HB1 ASP 119 4.391 12.918 4.907 914 H ALA 120 HN ALA 120 4.276 11.289 1.708 915 HA ALA 120 HA ALA 120 2.110 13.093 1.020 916 1HB ALA 120 HB1 ALA 120 3.864 11.301 -0.702 917 2HB ALA 120 HB2 ALA 120 4.315 12.914 -0.147 918 3HB ALA 120 HB3 ALA 120 2.963 12.711 -1.260 919 H ALA 121 HN ALA 121 2.700 9.601 0.638 920 HA ALA 121 HA ALA 121 0.334 8.940 -0.809 921 1HB ALA 121 HB1 ALA 121 0.925 6.695 -0.171 922 2HB ALA 121 HB2 ALA 121 1.746 7.259 1.285 923 3HB ALA 121 HB3 ALA 121 2.448 7.574 -0.303 924 H LEU 122 HN LEU 122 0.974 9.143 2.698 925 HA LEU 122 HA LEU 122 -1.579 8.215 3.587 926 1HB LEU 122 HB2 LEU 122 0.352 10.233 4.787 927 2HB LEU 122 HB1 LEU 122 -0.908 9.374 5.674 928 HG LEU 122 HG LEU 122 1.081 7.793 4.084 929 1HD1 LEU 122 HD11 LEU 122 2.781 8.694 5.285 930 2HD1 LEU 122 HD12 LEU 122 2.104 7.817 6.657 931 3HD1 LEU 122 HD13 LEU 122 1.674 9.508 6.389 932 1HD2 LEU 122 HD21 LEU 122 0.089 7.095 6.811 933 2HD2 LEU 122 HD22 LEU 122 0.386 6.049 5.421 934 3HD2 LEU 122 HD23 LEU 122 -1.070 7.043 5.482 935 H ALA 123 HN ALA 123 -0.373 11.575 3.212 936 HA ALA 123 HA ALA 123 -2.873 12.872 3.677 937 1HB ALA 123 HB1 ALA 123 -0.411 13.734 3.488 938 2HB ALA 123 HB2 ALA 123 -1.712 14.785 2.924 939 3HB ALA 123 HB3 ALA 123 -0.761 13.859 1.762 940 H GLU 124 HN GLU 124 -1.313 11.745 0.666 941 HA GLU 124 HA GLU 124 -3.303 12.694 -1.152 942 1HB GLU 124 HB2 GLU 124 -0.974 11.862 -1.635 943 2HB GLU 124 HB1 GLU 124 -1.551 10.223 -1.330 944 1HG GLU 124 HG2 GLU 124 -1.574 10.738 -3.746 945 2HG GLU 124 HG1 GLU 124 -3.209 10.462 -3.143 946 H PHE 125 HN PHE 125 -3.076 9.732 0.793 947 HA PHE 125 HA PHE 125 -5.394 8.487 -0.481 948 1HB PHE 125 HB2 PHE 125 -3.534 7.205 0.486 949 2HB PHE 125 HB1 PHE 125 -3.870 7.896 2.075 950 HD1 PHE 125 HD1 PHE 125 -6.200 7.518 3.083 951 HD2 PHE 125 HD2 PHE 125 -4.691 5.279 -0.256 952 HE1 PHE 125 HE1 PHE 125 -7.898 5.761 3.497 953 HE2 PHE 125 HE2 PHE 125 -6.389 3.518 0.162 954 HZ PHE 125 HZ PHE 125 -7.991 3.761 2.037 955 H LEU 126 HN LEU 126 -4.801 10.162 2.642 956 HA LEU 126 HA LEU 126 -7.376 9.759 3.778 957 1HB LEU 126 HB2 LEU 126 -5.383 12.034 3.981 958 2HB LEU 126 HB1 LEU 126 -6.759 11.839 5.061 959 HG LEU 126 HG LEU 126 -4.522 9.832 4.673 960 1HD1 LEU 126 HD11 LEU 126 -3.708 10.523 6.776 961 2HD1 LEU 126 HD12 LEU 126 -5.213 11.344 7.187 962 3HD1 LEU 126 HD13 LEU 126 -4.130 12.039 5.981 963 1HD2 LEU 126 HD21 LEU 126 -5.791 9.013 6.888 964 2HD2 LEU 126 HD22 LEU 126 -6.269 8.454 5.286 965 3HD2 LEU 126 HD23 LEU 126 -7.163 9.758 6.066 966 H ARG 127 HN ARG 127 -6.182 12.512 1.808 967 HA ARG 127 HA ARG 127 -8.622 13.978 1.757 968 1HB ARG 127 HB2 ARG 127 -6.271 14.659 1.065 969 2HB ARG 127 HB1 ARG 127 -6.539 13.773 -0.437 970 1HG ARG 127 HG2 ARG 127 -8.565 15.173 -0.852 971 2HG ARG 127 HG1 ARG 127 -8.172 16.115 0.586 972 1HD ARG 127 HD2 ARG 127 -6.370 15.788 -1.842 973 2HD ARG 127 HD1 ARG 127 -7.295 17.245 -1.427 974 HE ARG 127 HE ARG 127 -4.875 16.312 -0.066 975 1HH1 ARG 127 HH11 ARG 127 -7.813 18.124 0.127 976 2HH1 ARG 127 HH12 ARG 127 -7.249 19.137 1.414 977 1HH2 ARG 127 HH21 ARG 127 -4.141 17.633 1.615 978 2HH2 ARG 127 HH22 ARG 127 -5.183 18.861 2.250 979 H LEU 128 HN LEU 128 -7.409 11.373 -0.337 980 HA LEU 128 HA LEU 128 -9.761 11.488 -2.096 981 1HB LEU 128 HB2 LEU 128 -7.193 9.986 -1.846 982 2HB LEU 128 HB1 LEU 128 -8.486 9.234 -2.783 983 HG LEU 128 HG LEU 128 -8.675 11.231 -4.184 984 1HD1 LEU 128 HD11 LEU 128 -8.154 13.093 -2.904 985 2HD1 LEU 128 HD12 LEU 128 -6.643 12.900 -3.794 986 3HD1 LEU 128 HD13 LEU 128 -6.772 12.308 -2.138 987 1HD2 LEU 128 HD21 LEU 128 -5.728 10.876 -4.182 988 2HD2 LEU 128 HD22 LEU 128 -6.886 10.666 -5.495 989 3HD2 LEU 128 HD23 LEU 128 -6.675 9.392 -4.296 990 H ALA 129 HN ALA 129 -8.749 9.742 0.771 991 HA ALA 129 HA ALA 129 -10.413 7.440 0.571 992 1HB ALA 129 HB1 ALA 129 -10.236 7.657 3.158 993 2HB ALA 129 HB2 ALA 129 -9.239 9.070 2.818 994 3HB ALA 129 HB3 ALA 129 -8.742 7.479 2.238 995 HA PRO 130 HA PRO 130 -11.788 6.177 1.333 996 1HB PRO 130 HB2 PRO 130 -14.108 5.301 0.176 997 2HB PRO 130 HB1 PRO 130 -13.915 5.489 1.930 998 1HG PRO 130 HG2 PRO 130 -15.260 7.281 -0.028 999 2HG PRO 130 HG1 PRO 130 -15.720 6.872 1.632 1000 1HD PRO 130 HD2 PRO 130 -14.501 9.213 0.922 1001 2HD PRO 130 HD1 PRO 130 -14.373 8.481 2.536 1002 H VAL 131 HN VAL 131 -10.631 5.492 -0.434 1003 HA VAL 131 HA VAL 131 -10.780 6.979 -2.945 1004 HB VAL 131 HB VAL 131 -9.232 4.465 -2.279 1005 1HG1 VAL 131 HG11 VAL 131 -9.192 5.178 -4.634 1006 2HG1 VAL 131 HG12 VAL 131 -7.616 5.425 -3.884 1007 3HG1 VAL 131 HG13 VAL 131 -8.693 6.796 -4.143 1008 1HG2 VAL 131 HG21 VAL 131 -8.580 7.364 -1.664 1009 2HG2 VAL 131 HG22 VAL 131 -7.440 6.027 -1.510 1010 3HG2 VAL 131 HG23 VAL 131 -8.872 6.086 -0.484 1011 H GLU 132 HN GLU 132 -10.949 5.808 -5.050 1012 HA GLU 132 HA GLU 132 -13.238 3.935 -5.038 1013 1HB GLU 132 HB2 GLU 132 -11.645 5.143 -7.324 1014 2HB GLU 132 HB1 GLU 132 -13.275 4.472 -7.406 1015 1HG GLU 132 HG2 GLU 132 -13.907 6.248 -5.650 1016 2HG GLU 132 HG1 GLU 132 -12.368 7.013 -6.050 1017 H THR 133 HN THR 133 -12.507 1.841 -4.549 1018 HA THR 133 HA THR 133 -10.071 0.855 -5.982 1019 HB THR 133 HB THR 133 -10.574 -1.007 -4.106 1020 HG1 THR 133 HG1 THR 133 -11.969 -0.347 -2.711 1021 1HG2 THR 133 HG21 THR 133 -8.510 0.274 -4.260 1022 2HG2 THR 133 HG22 THR 133 -9.093 0.320 -2.598 1023 3HG2 THR 133 HG23 THR 133 -9.323 1.716 -3.650 1024 H MET 134 HN MET 134 -11.814 0.727 -7.874 1025 HA MET 134 HA MET 134 -13.634 -1.579 -7.691 1026 1HB MET 134 HB2 MET 134 -12.765 0.228 -9.976 1027 2HB MET 134 HB1 MET 134 -14.083 -0.944 -10.064 1028 1HG MET 134 HG2 MET 134 -15.106 0.253 -8.060 1029 2HG MET 134 HG1 MET 134 -13.912 1.524 -8.324 1030 1HE MET 134 HE1 MET 134 -14.633 3.088 -11.599 1031 2HE MET 134 HE2 MET 134 -13.767 1.558 -11.715 1032 3HE MET 134 HE3 MET 134 -13.459 2.635 -10.355 1033 H ALA 135 HN ALA 135 -10.338 -1.296 -8.052 1034 HA ALA 135 HA ALA 135 -8.672 -2.762 -8.864 1035 1HB ALA 135 HB1 ALA 135 -9.904 -5.158 -9.238 1036 2HB ALA 135 HB2 ALA 135 -11.113 -4.339 -8.250 1037 3HB ALA 135 HB3 ALA 135 -9.469 -4.538 -7.645 Start of MODEL 2 1 1H MET 1 HT1 MET 1 2.511 10.037 19.827 2 2H MET 1 HT2 MET 1 0.976 10.278 20.519 3 3H MET 1 HT3 MET 1 2.268 11.300 20.933 4 HA MET 1 HA MET 1 0.452 12.004 19.155 5 1HB MET 1 HB2 MET 1 3.429 12.478 19.363 6 2HB MET 1 HB1 MET 1 2.433 13.407 18.242 7 1HG MET 1 HG2 MET 1 0.937 13.996 20.187 8 2HG MET 1 HG1 MET 1 2.121 13.238 21.251 9 1HE MET 1 HE1 MET 1 1.238 15.495 21.957 10 2HE MET 1 HE2 MET 1 1.644 17.050 21.237 11 3HE MET 1 HE3 MET 1 2.717 16.338 22.441 12 H LEU 2 HN LEU 2 3.530 11.553 17.534 13 HA LEU 2 HA LEU 2 2.363 10.754 15.057 14 1HB LEU 2 HB2 LEU 2 5.106 10.650 16.294 15 2HB LEU 2 HB1 LEU 2 4.827 10.025 14.666 16 HG LEU 2 HG LEU 2 3.595 12.357 14.353 17 1HD1 LEU 2 HD11 LEU 2 4.925 14.112 15.611 18 2HD1 LEU 2 HD12 LEU 2 5.543 12.810 16.627 19 3HD1 LEU 2 HD13 LEU 2 3.816 13.169 16.606 20 1HD2 LEU 2 HD21 LEU 2 6.448 12.910 14.299 21 2HD2 LEU 2 HD22 LEU 2 5.332 12.691 12.950 22 3HD2 LEU 2 HD23 LEU 2 6.109 11.291 13.687 23 H SER 3 HN SER 3 3.234 8.882 17.881 24 HA SER 3 HA SER 3 3.191 6.555 18.276 25 1HB SER 3 HB2 SER 3 1.084 7.022 16.148 26 2HB SER 3 HB1 SER 3 1.240 5.506 17.029 27 HG SER 3 HG SER 3 -0.221 6.776 18.114 28 H GLN 4 HN GLN 4 2.253 4.954 15.658 29 HA GLN 4 HA GLN 4 4.883 4.983 14.251 30 1HB GLN 4 HB2 GLN 4 3.404 2.595 15.406 31 2HB GLN 4 HB1 GLN 4 4.849 2.485 14.399 32 1HG GLN 4 HG2 GLN 4 5.980 4.012 16.114 33 2HG GLN 4 HG1 GLN 4 4.594 3.699 17.157 34 1HE2 GLN 4 HE21 GLN 4 7.682 2.645 16.629 35 2HE2 GLN 4 HE22 GLN 4 7.527 1.027 17.120 36 H ILE 5 HN ILE 5 4.725 3.901 12.110 37 HA ILE 5 HA ILE 5 1.947 4.056 10.987 38 HB ILE 5 HB ILE 5 4.718 4.572 9.870 39 1HG1 ILE 5 HG12 ILE 5 2.314 6.401 9.964 40 2HG1 ILE 5 HG11 ILE 5 3.477 6.310 11.286 41 1HG2 ILE 5 HG21 ILE 5 3.865 4.753 7.712 42 2HG2 ILE 5 HG22 ILE 5 2.213 4.988 8.277 43 3HG2 ILE 5 HG23 ILE 5 2.940 3.385 8.326 44 1HD1 ILE 5 HD11 ILE 5 3.926 8.133 9.569 45 2HD1 ILE 5 HD12 ILE 5 4.288 6.845 8.418 46 3HD1 ILE 5 HD13 ILE 5 5.271 7.035 9.869 47 H ALA 6 HN ALA 6 1.157 2.208 9.981 48 HA ALA 6 HA ALA 6 2.920 -0.187 9.969 49 1HB ALA 6 HB1 ALA 6 0.898 -0.706 10.986 50 2HB ALA 6 HB2 ALA 6 0.513 -1.126 9.317 51 3HB ALA 6 HB3 ALA 6 -0.008 0.423 9.979 52 H ILE 7 HN ILE 7 3.993 -0.519 8.068 53 HA ILE 7 HA ILE 7 2.537 0.103 5.528 54 HB ILE 7 HB ILE 7 5.512 0.212 6.098 55 1HG1 ILE 7 HG12 ILE 7 3.426 2.412 5.941 56 2HG1 ILE 7 HG11 ILE 7 4.328 1.927 7.377 57 1HG2 ILE 7 HG21 ILE 7 5.683 0.320 3.853 58 2HG2 ILE 7 HG22 ILE 7 4.779 1.833 3.911 59 3HG2 ILE 7 HG23 ILE 7 3.928 0.307 3.675 60 1HD1 ILE 7 HD11 ILE 7 6.441 2.519 6.209 61 2HD1 ILE 7 HD12 ILE 7 5.371 3.907 6.404 62 3HD1 ILE 7 HD13 ILE 7 5.500 3.102 4.841 63 H CYS 8 HN CYS 8 1.967 -1.822 4.609 64 HA CYS 8 HA CYS 8 3.652 -4.227 5.053 65 1HB CYS 8 HB2 CYS 8 1.148 -4.116 5.392 66 2HB CYS 8 HB1 CYS 8 0.987 -3.883 3.654 67 HG CYS 8 HG CYS 8 1.619 -6.278 3.240 68 H ILE 9 HN ILE 9 5.229 -4.586 3.509 69 HA ILE 9 HA ILE 9 4.727 -3.539 0.759 70 HB ILE 9 HB ILE 9 6.770 -2.816 1.872 71 1HG1 ILE 9 HG12 ILE 9 7.564 -4.972 -0.090 72 2HG1 ILE 9 HG11 ILE 9 6.747 -3.495 -0.607 73 1HG2 ILE 9 HG21 ILE 9 6.774 -5.607 2.699 74 2HG2 ILE 9 HG22 ILE 9 7.612 -4.229 3.414 75 3HG2 ILE 9 HG23 ILE 9 8.340 -5.103 2.065 76 1HD1 ILE 9 HD11 ILE 9 9.230 -3.383 1.099 77 2HD1 ILE 9 HD12 ILE 9 8.530 -2.122 0.083 78 3HD1 ILE 9 HD13 ILE 9 9.330 -3.509 -0.658 79 H TRP 10 HN TRP 10 4.899 -4.889 -1.034 80 HA TRP 10 HA TRP 10 5.114 -7.833 -0.460 81 1HB TRP 10 HB2 TRP 10 2.844 -7.341 -1.140 82 2HB TRP 10 HB1 TRP 10 3.409 -6.301 -2.449 83 HD1 TRP 10 HD1 TRP 10 5.347 -9.466 -1.923 84 HE1 TRP 10 HE1 TRP 10 4.890 -11.116 -3.854 85 HE3 TRP 10 HE3 TRP 10 1.431 -7.096 -4.177 86 HZ2 TRP 10 HZ2 TRP 10 3.085 -11.392 -6.060 87 HZ3 TRP 10 HZ3 TRP 10 0.366 -8.072 -6.187 88 HH2 TRP 10 HH2 TRP 10 1.185 -10.213 -7.133 89 H VAL 11 HN VAL 11 7.106 -8.419 -1.204 90 HA VAL 11 HA VAL 11 7.822 -7.772 -3.980 91 HB VAL 11 HB VAL 11 8.446 -5.781 -2.665 92 1HG1 VAL 11 HG11 VAL 11 8.718 -6.838 -0.485 93 2HG1 VAL 11 HG12 VAL 11 10.197 -5.987 -0.927 94 3HG1 VAL 11 HG13 VAL 11 10.117 -7.738 -1.069 95 1HG2 VAL 11 HG21 VAL 11 10.719 -7.513 -3.653 96 2HG2 VAL 11 HG22 VAL 11 10.939 -5.837 -3.158 97 3HG2 VAL 11 HG23 VAL 11 9.886 -6.223 -4.520 98 H GLU 12 HN GLU 12 8.657 -9.631 -4.738 99 HA GLU 12 HA GLU 12 9.423 -11.817 -3.005 100 1HB GLU 12 HB2 GLU 12 9.486 -11.248 -5.969 101 2HB GLU 12 HB1 GLU 12 10.052 -12.784 -5.309 102 1HG GLU 12 HG2 GLU 12 7.818 -13.009 -4.158 103 2HG GLU 12 HG1 GLU 12 7.279 -11.589 -5.053 104 H SER 13 HN SER 13 11.154 -9.237 -4.613 105 HA SER 13 HA SER 13 13.779 -10.546 -4.313 106 1HB SER 13 HB2 SER 13 12.802 -8.835 -6.104 107 2HB SER 13 HB1 SER 13 13.377 -7.644 -4.941 108 HG SER 13 HG SER 13 15.024 -8.142 -6.392 109 H THR 14 HN THR 14 14.883 -10.464 -2.407 110 HA THR 14 HA THR 14 14.072 -8.983 -0.102 111 HB THR 14 HB THR 14 16.867 -9.945 -0.755 112 HG1 THR 14 HG1 THR 14 16.118 -11.988 -0.084 113 1HG2 THR 14 HG21 THR 14 15.467 -10.374 1.843 114 2HG2 THR 14 HG22 THR 14 16.013 -8.739 1.464 115 3HG2 THR 14 HG23 THR 14 17.173 -10.065 1.523 116 H ALA 15 HN ALA 15 16.441 -8.298 -2.661 117 HA ALA 15 HA ALA 15 17.729 -6.027 -1.576 118 1HB ALA 15 HB1 ALA 15 17.610 -5.480 -4.228 119 2HB ALA 15 HB2 ALA 15 17.082 -7.165 -4.255 120 3HB ALA 15 HB3 ALA 15 18.650 -6.744 -3.571 121 H ILE 16 HN ILE 16 14.810 -6.183 -3.617 122 HA ILE 16 HA ILE 16 14.202 -3.367 -3.471 123 HB ILE 16 HB ILE 16 12.589 -5.878 -4.054 124 1HG1 ILE 16 HG12 ILE 16 13.572 -3.852 -6.052 125 2HG1 ILE 16 HG11 ILE 16 14.668 -5.096 -5.448 126 1HG2 ILE 16 HG21 ILE 16 11.843 -3.117 -4.981 127 2HG2 ILE 16 HG22 ILE 16 11.329 -3.683 -3.392 128 3HG2 ILE 16 HG23 ILE 16 10.830 -4.555 -4.842 129 1HD1 ILE 16 HD11 ILE 16 12.856 -5.387 -7.546 130 2HD1 ILE 16 HD12 ILE 16 12.074 -6.204 -6.191 131 3HD1 ILE 16 HD13 ILE 16 13.687 -6.694 -6.703 132 H LEU 17 HN LEU 17 13.297 -6.223 -1.597 133 HA LEU 17 HA LEU 17 11.323 -5.052 0.104 134 1HB LEU 17 HB2 LEU 17 11.537 -7.406 0.105 135 2HB LEU 17 HB1 LEU 17 13.289 -7.331 0.219 136 HG LEU 17 HG LEU 17 11.885 -8.019 2.325 137 1HD1 LEU 17 HD11 LEU 17 14.409 -7.302 2.012 138 2HD1 LEU 17 HD12 LEU 17 13.718 -7.464 3.626 139 3HD1 LEU 17 HD13 LEU 17 13.888 -5.867 2.895 140 1HD2 LEU 17 HD21 LEU 17 11.945 -5.274 3.271 141 2HD2 LEU 17 HD22 LEU 17 10.629 -6.441 3.325 142 3HD2 LEU 17 HD23 LEU 17 10.852 -5.437 1.897 143 H GLN 18 HN GLN 18 14.854 -5.217 0.267 144 HA GLN 18 HA GLN 18 15.035 -3.924 2.869 145 1HB GLN 18 HB2 GLN 18 16.937 -4.621 0.628 146 2HB GLN 18 HB1 GLN 18 17.486 -3.746 2.057 147 1HG GLN 18 HG2 GLN 18 16.635 -5.562 3.501 148 2HG GLN 18 HG1 GLN 18 16.095 -6.441 2.070 149 1HE2 GLN 18 HE21 GLN 18 18.750 -6.011 4.183 150 2HE2 GLN 18 HE22 GLN 18 19.932 -6.768 3.233 151 H ASP 19 HN ASP 19 15.933 -2.779 -0.434 152 HA ASP 19 HA ASP 19 16.466 -0.105 0.252 153 1HB ASP 19 HB2 ASP 19 15.127 -1.243 -2.225 154 2HB ASP 19 HB1 ASP 19 15.922 0.329 -2.134 155 H CYS 20 HN CYS 20 13.309 -1.637 -0.399 156 HA CYS 20 HA CYS 20 11.772 0.798 -0.320 157 1HB CYS 20 HB2 CYS 20 11.206 -2.141 0.075 158 2HB CYS 20 HB1 CYS 20 9.928 -0.934 0.206 159 HG CYS 20 HG CYS 20 11.526 -1.526 -2.408 160 H GLN 21 HN GLN 21 12.408 -1.693 2.194 161 HA GLN 21 HA GLN 21 11.036 -0.137 4.255 162 1HB GLN 21 HB2 GLN 21 12.776 -2.615 4.205 163 2HB GLN 21 HB1 GLN 21 12.050 -1.985 5.684 164 1HG GLN 21 HG2 GLN 21 9.808 -2.090 4.508 165 2HG GLN 21 HG1 GLN 21 10.613 -2.971 3.209 166 1HE2 GLN 21 HE21 GLN 21 12.476 -4.210 5.326 167 2HE2 GLN 21 HE22 GLN 21 11.538 -5.442 6.024 168 H ARG 22 HN ARG 22 14.343 -0.557 3.106 169 HA ARG 22 HA ARG 22 15.756 0.485 5.334 170 1HB ARG 22 HB2 ARG 22 16.107 0.411 2.342 171 2HB ARG 22 HB1 ARG 22 17.288 1.271 3.330 172 1HG ARG 22 HG2 ARG 22 16.534 -1.663 3.503 173 2HG ARG 22 HG1 ARG 22 18.106 -0.986 3.087 174 1HD ARG 22 HD2 ARG 22 17.823 0.175 5.474 175 2HD ARG 22 HD1 ARG 22 16.799 -1.246 5.757 176 HE ARG 22 HE ARG 22 19.351 -1.875 4.462 177 1HH1 ARG 22 HH11 ARG 22 17.632 -1.405 7.422 178 2HH1 ARG 22 HH12 ARG 22 18.702 -2.399 8.349 179 1HH2 ARG 22 HH21 ARG 22 20.752 -3.175 5.664 180 2HH2 ARG 22 HH22 ARG 22 20.466 -3.400 7.357 181 H ALA 23 HN ALA 23 14.221 2.119 2.569 182 HA ALA 23 HA ALA 23 14.836 4.803 3.466 183 1HB ALA 23 HB1 ALA 23 13.982 3.808 1.156 184 2HB ALA 23 HB2 ALA 23 13.491 5.431 1.639 185 3HB ALA 23 HB3 ALA 23 12.389 4.074 1.862 186 H LEU 24 HN LEU 24 12.041 2.596 3.834 187 HA LEU 24 HA LEU 24 10.674 4.434 5.693 188 1HB LEU 24 HB2 LEU 24 10.106 1.596 4.767 189 2HB LEU 24 HB1 LEU 24 8.963 2.670 5.577 190 HG LEU 24 HG LEU 24 10.276 3.168 2.896 191 1HD1 LEU 24 HD11 LEU 24 8.043 1.630 3.513 192 2HD1 LEU 24 HD12 LEU 24 8.414 2.328 1.936 193 3HD1 LEU 24 HD13 LEU 24 7.361 3.189 3.057 194 1HD2 LEU 24 HD21 LEU 24 10.002 5.311 3.626 195 2HD2 LEU 24 HD22 LEU 24 8.798 4.864 4.822 196 3HD2 LEU 24 HD23 LEU 24 8.333 5.031 3.132 197 H SER 25 HN SER 25 12.945 4.069 6.951 198 HA SER 25 HA SER 25 12.629 1.731 8.795 199 1HB SER 25 HB2 SER 25 15.010 3.455 8.036 200 2HB SER 25 HB1 SER 25 15.066 2.155 9.225 201 HG SER 25 HG SER 25 15.318 0.864 7.599 202 H ALA 26 HN ALA 26 11.710 4.826 8.648 203 HA ALA 26 HA ALA 26 12.674 6.320 10.764 204 1HB ALA 26 HB1 ALA 26 10.258 6.028 9.216 205 2HB ALA 26 HB2 ALA 26 10.875 7.478 10.006 206 3HB ALA 26 HB3 ALA 26 9.825 6.374 10.890 207 H ASP 27 HN ASP 27 12.296 6.321 13.054 208 HA ASP 27 HA ASP 27 12.094 3.753 14.313 209 1HB ASP 27 HB2 ASP 27 11.786 6.582 15.372 210 2HB ASP 27 HB1 ASP 27 12.055 5.152 16.378 211 H ARG 28 HN ARG 28 9.671 5.737 13.007 212 HA ARG 28 HA ARG 28 7.595 4.568 14.822 213 1HB ARG 28 HB2 ARG 28 6.270 6.490 14.174 214 2HB ARG 28 HB1 ARG 28 7.882 7.075 14.585 215 1HG ARG 28 HG2 ARG 28 8.414 6.800 12.072 216 2HG ARG 28 HG1 ARG 28 6.668 6.699 11.850 217 1HD ARG 28 HD2 ARG 28 6.437 8.893 13.050 218 2HD ARG 28 HD1 ARG 28 8.205 9.009 13.088 219 HE ARG 28 HE ARG 28 7.229 8.423 10.420 220 1HH1 ARG 28 HH11 ARG 28 7.739 10.887 12.785 221 2HH1 ARG 28 HH12 ARG 28 7.868 12.160 11.619 222 1HH2 ARG 28 HH21 ARG 28 7.396 10.081 8.890 223 2HH2 ARG 28 HH22 ARG 28 7.673 11.705 9.420 224 H TYR 29 HN TYR 29 8.984 3.340 12.351 225 HA TYR 29 HA TYR 29 6.603 3.064 10.573 226 1HB TYR 29 HB2 TYR 29 9.555 3.032 10.282 227 2HB TYR 29 HB1 TYR 29 8.667 1.900 9.256 228 HD1 TYR 29 HD1 TYR 29 8.330 5.412 10.473 229 HD2 TYR 29 HD2 TYR 29 7.973 2.693 7.185 230 HE1 TYR 29 HE1 TYR 29 7.655 7.288 9.016 231 HE2 TYR 29 HE2 TYR 29 7.274 4.567 5.716 232 HH TYR 29 HH TYR 29 7.693 7.193 5.757 233 H GLN 30 HN GLN 30 5.476 1.212 10.684 234 HA GLN 30 HA GLN 30 6.784 -1.205 11.892 235 1HB GLN 30 HB2 GLN 30 4.863 -0.353 13.157 236 2HB GLN 30 HB1 GLN 30 3.878 -0.335 11.694 237 1HG GLN 30 HG2 GLN 30 4.183 -2.793 11.486 238 2HG GLN 30 HG1 GLN 30 5.087 -2.789 13.000 239 1HE2 GLN 30 HE21 GLN 30 3.163 -0.557 13.991 240 2HE2 GLN 30 HE22 GLN 30 1.770 -1.414 14.455 241 H LEU 31 HN LEU 31 7.668 -1.915 9.871 242 HA LEU 31 HA LEU 31 5.827 -2.278 7.596 243 1HB LEU 31 HB2 LEU 31 8.769 -2.898 7.900 244 2HB LEU 31 HB1 LEU 31 7.881 -2.681 6.395 245 HG LEU 31 HG LEU 31 7.541 -0.405 8.180 246 1HD1 LEU 31 HD11 LEU 31 10.217 -0.167 7.138 247 2HD1 LEU 31 HD12 LEU 31 10.117 -1.577 8.190 248 3HD1 LEU 31 HD13 LEU 31 9.663 0.014 8.803 249 1HD2 LEU 31 HD21 LEU 31 7.538 0.694 6.181 250 2HD2 LEU 31 HD22 LEU 31 7.404 -0.926 5.499 251 3HD2 LEU 31 HD23 LEU 31 8.981 -0.143 5.609 252 H GLN 32 HN GLN 32 5.392 -4.249 6.638 253 HA GLN 32 HA GLN 32 6.253 -6.725 8.084 254 1HB GLN 32 HB2 GLN 32 3.894 -6.198 8.587 255 2HB GLN 32 HB1 GLN 32 3.552 -6.047 6.861 256 1HG GLN 32 HG2 GLN 32 2.867 -8.258 7.431 257 2HG GLN 32 HG1 GLN 32 4.427 -8.449 6.638 258 1HE2 GLN 32 HE21 GLN 32 5.541 -10.073 7.732 259 2HE2 GLN 32 HE22 GLN 32 5.658 -10.203 9.420 260 H VAL 33 HN VAL 33 7.112 -8.237 6.650 261 HA VAL 33 HA VAL 33 7.127 -7.437 3.784 262 HB VAL 33 HB VAL 33 8.812 -9.394 5.366 263 1HG1 VAL 33 HG11 VAL 33 9.300 -9.995 3.198 264 2HG1 VAL 33 HG12 VAL 33 10.357 -8.588 3.313 265 3HG1 VAL 33 HG13 VAL 33 8.778 -8.442 2.541 266 1HG2 VAL 33 HG21 VAL 33 10.445 -7.543 5.432 267 2HG2 VAL 33 HG22 VAL 33 8.932 -7.063 6.200 268 3HG2 VAL 33 HG23 VAL 33 9.305 -6.507 4.573 269 H CYS 34 HN CYS 34 5.969 -8.554 2.345 270 HA CYS 34 HA CYS 34 4.885 -11.245 3.097 271 1HB CYS 34 HB2 CYS 34 3.930 -9.334 0.947 272 2HB CYS 34 HB1 CYS 34 3.034 -10.664 1.677 273 HG CYS 34 HG CYS 34 3.005 -9.258 3.938 274 H GLU 35 HN GLU 35 6.257 -12.777 2.173 275 HA GLU 35 HA GLU 35 7.950 -12.375 -0.071 276 1HB GLU 35 HB2 GLU 35 6.681 -14.821 1.185 277 2HB GLU 35 HB1 GLU 35 7.900 -14.927 -0.082 278 1HG GLU 35 HG2 GLU 35 9.346 -13.412 1.405 279 2HG GLU 35 HG1 GLU 35 8.195 -13.773 2.691 280 H SER 36 HN SER 36 4.552 -13.344 0.102 281 HA SER 36 HA SER 36 4.526 -13.489 -2.898 282 1HB SER 36 HB2 SER 36 2.883 -15.220 -2.671 283 2HB SER 36 HB1 SER 36 4.143 -15.600 -1.502 284 HG SER 36 HG SER 36 2.626 -15.497 -0.066 285 H GLY 37 HN GLY 37 1.855 -13.367 -3.379 286 1HA GLY 37 HA2 GLY 37 1.120 -10.661 -2.392 287 2HA GLY 37 HA1 GLY 37 0.436 -11.455 -3.821 288 H GLU 38 HN GLU 38 0.359 -14.013 -2.273 289 HA GLU 38 HA GLU 38 -2.340 -13.815 -1.251 290 1HB GLU 38 HB2 GLU 38 -0.166 -15.813 -1.663 291 2HB GLU 38 HB1 GLU 38 -1.407 -16.229 -0.499 292 1HG GLU 38 HG2 GLU 38 -2.321 -15.118 -3.103 293 2HG GLU 38 HG1 GLU 38 -1.679 -16.761 -3.113 294 H MET 39 HN MET 39 0.915 -14.170 0.121 295 HA MET 39 HA MET 39 0.123 -14.361 2.859 296 1HB MET 39 HB2 MET 39 2.596 -13.627 1.314 297 2HB MET 39 HB1 MET 39 2.588 -13.431 3.066 298 1HG MET 39 HG2 MET 39 2.032 -15.773 3.382 299 2HG MET 39 HG1 MET 39 1.838 -16.000 1.644 300 1HE MET 39 HE1 MET 39 4.747 -18.115 1.873 301 2HE MET 39 HE2 MET 39 3.035 -17.951 2.257 302 3HE MET 39 HE3 MET 39 4.235 -17.846 3.544 303 H LEU 40 HN LEU 40 0.786 -11.650 0.701 304 HA LEU 40 HA LEU 40 0.782 -9.519 2.602 305 1HB LEU 40 HB2 LEU 40 1.527 -9.006 0.436 306 2HB LEU 40 HB1 LEU 40 0.223 -9.911 -0.328 307 HG LEU 40 HG LEU 40 -1.386 -8.198 0.210 308 1HD1 LEU 40 HD11 LEU 40 -1.104 -7.059 2.127 309 2HD1 LEU 40 HD12 LEU 40 0.122 -6.095 1.304 310 3HD1 LEU 40 HD13 LEU 40 0.593 -7.528 2.217 311 1HD2 LEU 40 HD21 LEU 40 1.008 -6.574 -0.609 312 2HD2 LEU 40 HD22 LEU 40 -0.639 -6.522 -1.236 313 3HD2 LEU 40 HD23 LEU 40 0.426 -7.860 -1.668 314 H LEU 41 HN LEU 41 -1.838 -11.117 0.816 315 HA LEU 41 HA LEU 41 -3.980 -9.420 1.638 316 1HB LEU 41 HB2 LEU 41 -3.860 -12.368 0.923 317 2HB LEU 41 HB1 LEU 41 -5.333 -11.395 0.948 318 HG LEU 41 HG LEU 41 -2.907 -10.712 -0.715 319 1HD1 LEU 41 HD11 LEU 41 -5.492 -12.058 -1.547 320 2HD1 LEU 41 HD12 LEU 41 -3.917 -12.841 -1.465 321 3HD1 LEU 41 HD13 LEU 41 -4.200 -11.552 -2.634 322 1HD2 LEU 41 HD21 LEU 41 -4.633 -9.279 -1.881 323 2HD2 LEU 41 HD22 LEU 41 -4.252 -8.783 -0.231 324 3HD2 LEU 41 HD23 LEU 41 -5.739 -9.669 -0.564 325 H GLU 42 HN GLU 42 -2.653 -12.395 3.105 326 HA GLU 42 HA GLU 42 -4.567 -12.636 5.206 327 1HB GLU 42 HB2 GLU 42 -2.852 -14.324 4.512 328 2HB GLU 42 HB1 GLU 42 -1.605 -13.304 5.236 329 1HG GLU 42 HG2 GLU 42 -2.074 -14.089 7.296 330 2HG GLU 42 HG1 GLU 42 -3.783 -13.693 7.103 331 H TYR 43 HN TYR 43 -1.522 -10.784 5.018 332 HA TYR 43 HA TYR 43 -1.514 -9.871 7.734 333 1HB TYR 43 HB2 TYR 43 0.435 -9.703 6.326 334 2HB TYR 43 HB1 TYR 43 -0.450 -8.762 5.124 335 HD1 TYR 43 HD1 TYR 43 1.009 -8.703 8.527 336 HD2 TYR 43 HD2 TYR 43 -0.877 -6.412 5.424 337 HE1 TYR 43 HE1 TYR 43 1.619 -6.607 9.704 338 HE2 TYR 43 HE2 TYR 43 -0.269 -4.318 6.601 339 HH TYR 43 HH TYR 43 0.330 -3.913 9.450 340 H ALA 44 HN ALA 44 -2.707 -8.322 4.740 341 HA ALA 44 HA ALA 44 -3.861 -6.057 6.143 342 1HB ALA 44 HB1 ALA 44 -4.145 -7.195 3.343 343 2HB ALA 44 HB2 ALA 44 -3.051 -5.909 3.855 344 3HB ALA 44 HB3 ALA 44 -4.791 -5.634 3.846 345 H GLN 45 HN GLN 45 -5.109 -9.146 4.891 346 HA GLN 45 HA GLN 45 -7.885 -8.721 5.045 347 1HB GLN 45 HB2 GLN 45 -6.009 -11.025 5.439 348 2HB GLN 45 HB1 GLN 45 -7.721 -11.264 5.802 349 1HG GLN 45 HG2 GLN 45 -8.360 -10.625 3.583 350 2HG GLN 45 HG1 GLN 45 -6.720 -10.102 3.203 351 1HE2 GLN 45 HE21 GLN 45 -7.671 -11.946 1.453 352 2HE2 GLN 45 HE22 GLN 45 -7.027 -13.488 1.752 353 H THR 46 HN THR 46 -5.603 -8.738 7.648 354 HA THR 46 HA THR 46 -7.890 -8.896 9.586 355 HB THR 46 HB THR 46 -6.533 -10.276 10.952 356 HG1 THR 46 HG1 THR 46 -4.454 -10.024 11.037 357 1HG2 THR 46 HG21 THR 46 -5.874 -12.102 9.507 358 2HG2 THR 46 HG22 THR 46 -5.671 -11.008 8.139 359 3HG2 THR 46 HG23 THR 46 -7.283 -11.333 8.772 360 H HIS 47 HN HIS 47 -5.841 -6.760 8.243 361 HA HIS 47 HA HIS 47 -5.780 -5.072 10.694 362 1HB HIS 47 HB2 HIS 47 -3.473 -6.180 9.137 363 2HB HIS 47 HB1 HIS 47 -3.320 -4.549 9.791 364 HD1 HIS 47 HD1 HIS 47 -4.278 -8.040 11.024 365 HD2 HIS 47 HD2 HIS 47 -2.588 -4.505 12.453 366 HE1 HIS 47 HE1 HIS 47 -3.591 -8.491 13.421 367 H ARG 48 HN ARG 48 -7.050 -5.219 7.872 368 HA ARG 48 HA ARG 48 -6.201 -3.379 6.003 369 1HB ARG 48 HB2 ARG 48 -9.008 -2.981 6.941 370 2HB ARG 48 HB1 ARG 48 -8.407 -3.259 5.314 371 1HG ARG 48 HG2 ARG 48 -7.992 -5.647 5.955 372 2HG ARG 48 HG1 ARG 48 -8.792 -5.324 7.491 373 1HD ARG 48 HD2 ARG 48 -10.233 -4.530 4.993 374 2HD ARG 48 HD1 ARG 48 -10.185 -6.253 5.419 375 HE ARG 48 HE ARG 48 -10.769 -4.761 7.775 376 1HH1 ARG 48 HH11 ARG 48 -12.119 -5.621 4.718 377 2HH1 ARG 48 HH12 ARG 48 -13.758 -5.552 5.277 378 1HH2 ARG 48 HH21 ARG 48 -12.901 -4.665 8.516 379 2HH2 ARG 48 HH22 ARG 48 -14.201 -5.011 7.424 380 H ASP 49 HN ASP 49 -8.197 -2.507 8.797 381 HA ASP 49 HA ASP 49 -7.944 0.339 8.452 382 1HB ASP 49 HB2 ASP 49 -8.617 -1.363 10.874 383 2HB ASP 49 HB1 ASP 49 -8.968 0.356 10.712 384 H GLN 50 HN GLN 50 -5.758 -1.986 9.770 385 HA GLN 50 HA GLN 50 -4.370 0.093 11.383 386 1HB GLN 50 HB2 GLN 50 -3.961 -2.901 11.120 387 2HB GLN 50 HB1 GLN 50 -3.165 -1.854 12.300 388 1HG GLN 50 HG2 GLN 50 -5.595 -1.139 12.938 389 2HG GLN 50 HG1 GLN 50 -6.069 -2.633 12.127 390 1HE2 GLN 50 HE21 GLN 50 -6.337 -2.152 14.998 391 2HE2 GLN 50 HE22 GLN 50 -5.342 -3.276 15.788 392 H ILE 51 HN ILE 51 -4.263 -0.889 8.209 393 HA ILE 51 HA ILE 51 -1.297 -0.881 7.984 394 HB ILE 51 HB ILE 51 -3.440 -0.982 5.833 395 1HG1 ILE 51 HG12 ILE 51 -3.945 -2.939 6.967 396 2HG1 ILE 51 HG11 ILE 51 -2.646 -3.518 5.935 397 1HG2 ILE 51 HG21 ILE 51 -1.342 -0.469 4.845 398 2HG2 ILE 51 HG22 ILE 51 -1.528 -2.209 4.637 399 3HG2 ILE 51 HG23 ILE 51 -0.479 -1.580 5.909 400 1HD1 ILE 51 HD11 ILE 51 -2.616 -2.958 8.878 401 2HD1 ILE 51 HD12 ILE 51 -1.122 -2.750 7.963 402 3HD1 ILE 51 HD13 ILE 51 -1.929 -4.319 7.991 403 H ASP 52 HN ASP 52 -0.268 1.073 7.806 404 HA ASP 52 HA ASP 52 -1.827 3.498 7.208 405 1HB ASP 52 HB2 ASP 52 0.932 2.807 8.167 406 2HB ASP 52 HB1 ASP 52 0.590 4.440 7.597 407 H CYS 53 HN CYS 53 0.503 1.430 5.533 408 HA CYS 53 HA CYS 53 -0.002 2.902 3.025 409 1HB CYS 53 HB2 CYS 53 1.834 4.020 4.548 410 2HB CYS 53 HB1 CYS 53 2.850 2.705 3.963 411 HG CYS 53 HG CYS 53 2.251 3.567 1.480 412 H LEU 54 HN LEU 54 0.231 1.463 1.276 413 HA LEU 54 HA LEU 54 1.471 -1.198 1.937 414 1HB LEU 54 HB2 LEU 54 -0.861 -1.345 1.402 415 2HB LEU 54 HB1 LEU 54 -0.678 -0.274 0.015 416 HG LEU 54 HG LEU 54 0.684 -1.958 -1.136 417 1HD1 LEU 54 HD11 LEU 54 0.728 -3.117 1.553 418 2HD1 LEU 54 HD12 LEU 54 1.830 -3.380 0.201 419 3HD1 LEU 54 HD13 LEU 54 0.330 -4.301 0.310 420 1HD2 LEU 54 HD21 LEU 54 -1.245 -3.898 -0.762 421 2HD2 LEU 54 HD22 LEU 54 -1.401 -2.514 -1.845 422 3HD2 LEU 54 HD23 LEU 54 -2.070 -2.437 -0.216 423 H ILE 55 HN ILE 55 3.331 -1.776 0.827 424 HA ILE 55 HA ILE 55 4.173 -0.013 -1.443 425 HB ILE 55 HB ILE 55 5.699 -2.088 0.167 426 1HG1 ILE 55 HG12 ILE 55 6.002 0.892 0.451 427 2HG1 ILE 55 HG11 ILE 55 4.745 0.043 1.353 428 1HG2 ILE 55 HG21 ILE 55 7.592 -0.466 -0.751 429 2HG2 ILE 55 HG22 ILE 55 6.396 -0.157 -2.009 430 3HG2 ILE 55 HG23 ILE 55 6.985 -1.797 -1.737 431 1HD1 ILE 55 HD11 ILE 55 6.270 -1.185 2.597 432 2HD1 ILE 55 HD12 ILE 55 7.159 0.323 2.391 433 3HD1 ILE 55 HD13 ILE 55 7.525 -1.066 1.363 434 H LEU 56 HN LEU 56 3.936 -0.846 -3.479 435 HA LEU 56 HA LEU 56 3.825 -3.828 -3.739 436 1HB LEU 56 HB2 LEU 56 2.139 -1.624 -4.926 437 2HB LEU 56 HB1 LEU 56 2.149 -3.257 -5.587 438 HG LEU 56 HG LEU 56 1.542 -2.579 -2.697 439 1HD1 LEU 56 HD11 LEU 56 -0.458 -1.951 -3.557 440 2HD1 LEU 56 HD12 LEU 56 -0.726 -3.680 -3.795 441 3HD1 LEU 56 HD13 LEU 56 -0.120 -2.688 -5.121 442 1HD2 LEU 56 HD21 LEU 56 0.730 -4.970 -2.708 443 2HD2 LEU 56 HD22 LEU 56 2.470 -4.799 -2.914 444 3HD2 LEU 56 HD23 LEU 56 1.449 -5.144 -4.310 445 H VAL 57 HN VAL 57 4.600 -4.670 -5.712 446 HA VAL 57 HA VAL 57 6.444 -2.831 -7.206 447 HB VAL 57 HB VAL 57 6.543 -5.771 -6.454 448 1HG1 VAL 57 HG11 VAL 57 8.955 -5.257 -7.620 449 2HG1 VAL 57 HG12 VAL 57 7.882 -4.294 -8.639 450 3HG1 VAL 57 HG13 VAL 57 7.603 -6.025 -8.453 451 1HG2 VAL 57 HG21 VAL 57 7.246 -3.943 -4.815 452 2HG2 VAL 57 HG22 VAL 57 8.544 -3.558 -5.946 453 3HG2 VAL 57 HG23 VAL 57 8.481 -5.147 -5.188 454 H ALA 58 HN ALA 58 5.905 -2.575 -9.353 455 HA ALA 58 HA ALA 58 3.665 -4.057 -10.503 456 1HB ALA 58 HB1 ALA 58 4.153 -1.630 -10.801 457 2HB ALA 58 HB2 ALA 58 3.991 -2.492 -12.332 458 3HB ALA 58 HB3 ALA 58 5.593 -2.072 -11.719 459 H ALA 59 HN ALA 59 6.992 -4.665 -10.296 460 HA ALA 59 HA ALA 59 7.532 -5.739 -12.901 461 1HB ALA 59 HB1 ALA 59 9.551 -5.922 -11.916 462 2HB ALA 59 HB2 ALA 59 8.922 -7.059 -10.724 463 3HB ALA 59 HB3 ALA 59 8.813 -5.323 -10.432 464 H ASN 60 HN ASN 60 5.472 -6.860 -10.398 465 HA ASN 60 HA ASN 60 5.752 -9.725 -11.100 466 1HB ASN 60 HB2 ASN 60 4.382 -8.031 -9.065 467 2HB ASN 60 HB1 ASN 60 3.658 -9.601 -9.418 468 1HD2 ASN 60 HD21 ASN 60 5.068 -8.804 -6.910 469 2HD2 ASN 60 HD22 ASN 60 6.373 -9.877 -6.749 470 HA PRO 61 HA PRO 61 2.529 -9.622 -14.097 471 1HB PRO 61 HB2 PRO 61 1.823 -12.264 -14.058 472 2HB PRO 61 HB1 PRO 61 3.308 -11.661 -14.819 473 1HG PRO 61 HG2 PRO 61 2.937 -13.030 -12.217 474 2HG PRO 61 HG1 PRO 61 4.287 -13.107 -13.357 475 1HD PRO 61 HD2 PRO 61 4.285 -11.639 -11.018 476 2HD PRO 61 HD1 PRO 61 5.346 -11.335 -12.411 477 H SER 62 HN SER 62 1.493 -11.950 -11.567 478 HA SER 62 HA SER 62 -1.281 -11.124 -11.760 479 1HB SER 62 HB2 SER 62 -0.133 -12.531 -9.374 480 2HB SER 62 HB1 SER 62 -1.642 -12.841 -10.231 481 HG SER 62 HG SER 62 -0.352 -13.599 -11.988 482 H PHE 63 HN PHE 63 1.219 -9.375 -10.543 483 HA PHE 63 HA PHE 63 0.585 -8.575 -7.955 484 1HB PHE 63 HB2 PHE 63 2.532 -7.686 -8.847 485 2HB PHE 63 HB1 PHE 63 1.774 -7.316 -10.395 486 HD1 PHE 63 HD1 PHE 63 0.901 -6.418 -6.851 487 HD2 PHE 63 HD2 PHE 63 1.891 -5.041 -10.791 488 HE1 PHE 63 HE1 PHE 63 0.539 -4.084 -6.133 489 HE2 PHE 63 HE2 PHE 63 1.531 -2.700 -10.075 490 HZ PHE 63 HZ PHE 63 0.849 -2.217 -7.738 491 H ARG 64 HN ARG 64 -0.747 -7.111 -10.975 492 HA ARG 64 HA ARG 64 -2.479 -5.245 -9.729 493 1HB ARG 64 HB2 ARG 64 -2.264 -6.668 -12.328 494 2HB ARG 64 HB1 ARG 64 -3.845 -5.977 -11.966 495 1HG ARG 64 HG2 ARG 64 -2.787 -4.168 -12.986 496 2HG ARG 64 HG1 ARG 64 -2.450 -3.860 -11.283 497 1HD ARG 64 HD2 ARG 64 -0.240 -3.879 -11.779 498 2HD ARG 64 HD1 ARG 64 -0.394 -5.590 -12.208 499 HE ARG 64 HE ARG 64 -1.433 -4.048 -14.361 500 1HH1 ARG 64 HH11 ARG 64 1.531 -4.726 -12.723 501 2HH1 ARG 64 HH12 ARG 64 2.512 -4.493 -14.128 502 1HH2 ARG 64 HH21 ARG 64 -0.164 -3.745 -16.201 503 2HH2 ARG 64 HH22 ARG 64 1.554 -3.937 -16.097 504 H ALA 65 HN ALA 65 -2.922 -8.695 -10.388 505 HA ALA 65 HA ALA 65 -5.704 -8.869 -9.692 506 1HB ALA 65 HB1 ALA 65 -4.157 -10.517 -10.915 507 2HB ALA 65 HB2 ALA 65 -5.248 -11.235 -9.730 508 3HB ALA 65 HB3 ALA 65 -3.552 -10.974 -9.324 509 H VAL 66 HN VAL 66 -2.712 -9.220 -7.798 510 HA VAL 66 HA VAL 66 -3.946 -9.971 -5.313 511 HB VAL 66 HB VAL 66 -1.360 -8.653 -6.159 512 1HG1 VAL 66 HG11 VAL 66 -2.367 -8.401 -3.608 513 2HG1 VAL 66 HG12 VAL 66 -0.654 -8.379 -4.021 514 3HG1 VAL 66 HG13 VAL 66 -1.413 -9.878 -3.485 515 1HG2 VAL 66 HG21 VAL 66 -0.522 -10.947 -5.338 516 2HG2 VAL 66 HG22 VAL 66 -1.433 -10.916 -6.847 517 3HG2 VAL 66 HG23 VAL 66 -2.219 -11.430 -5.355 518 H VAL 67 HN VAL 67 -3.063 -6.828 -6.734 519 HA VAL 67 HA VAL 67 -3.705 -5.224 -4.453 520 HB VAL 67 HB VAL 67 -3.942 -4.441 -7.366 521 1HG1 VAL 67 HG11 VAL 67 -2.589 -2.493 -5.968 522 2HG1 VAL 67 HG12 VAL 67 -3.725 -3.093 -4.760 523 3HG1 VAL 67 HG13 VAL 67 -4.319 -2.477 -6.297 524 1HG2 VAL 67 HG21 VAL 67 -1.804 -5.137 -7.631 525 2HG2 VAL 67 HG22 VAL 67 -1.666 -5.541 -5.919 526 3HG2 VAL 67 HG23 VAL 67 -1.344 -3.895 -6.466 527 H GLN 68 HN GLN 68 -5.726 -6.282 -7.252 528 HA GLN 68 HA GLN 68 -8.035 -4.764 -6.447 529 1HB GLN 68 HB2 GLN 68 -9.213 -6.254 -8.008 530 2HB GLN 68 HB1 GLN 68 -7.668 -5.770 -8.701 531 1HG GLN 68 HG2 GLN 68 -6.729 -7.871 -8.421 532 2HG GLN 68 HG1 GLN 68 -7.804 -8.295 -7.087 533 1HE2 GLN 68 HE21 GLN 68 -9.517 -9.662 -7.652 534 2HE2 GLN 68 HE22 GLN 68 -10.114 -9.874 -9.228 535 H GLN 69 HN GLN 69 -6.630 -7.807 -5.438 536 HA GLN 69 HA GLN 69 -8.876 -8.939 -4.074 537 1HB GLN 69 HB2 GLN 69 -6.607 -9.968 -4.641 538 2HB GLN 69 HB1 GLN 69 -5.954 -9.071 -3.268 539 1HG GLN 69 HG2 GLN 69 -6.696 -10.664 -1.863 540 2HG GLN 69 HG1 GLN 69 -8.348 -10.388 -2.415 541 1HE2 GLN 69 HE21 GLN 69 -9.306 -12.048 -3.630 542 2HE2 GLN 69 HE22 GLN 69 -8.466 -13.375 -4.274 543 H LEU 70 HN LEU 70 -6.312 -6.682 -3.013 544 HA LEU 70 HA LEU 70 -7.154 -6.391 -0.292 545 1HB LEU 70 HB2 LEU 70 -5.601 -4.827 -2.326 546 2HB LEU 70 HB1 LEU 70 -6.084 -3.995 -0.847 547 HG LEU 70 HG LEU 70 -5.037 -6.636 -0.244 548 1HD1 LEU 70 HD11 LEU 70 -2.814 -4.931 -1.150 549 2HD1 LEU 70 HD12 LEU 70 -3.801 -5.585 -2.459 550 3HD1 LEU 70 HD13 LEU 70 -3.031 -6.674 -1.307 551 1HD2 LEU 70 HD21 LEU 70 -5.218 -4.159 0.946 552 2HD2 LEU 70 HD22 LEU 70 -3.505 -4.238 0.526 553 3HD2 LEU 70 HD23 LEU 70 -4.222 -5.486 1.543 554 H CYS 71 HN CYS 71 -7.936 -4.455 -3.195 555 HA CYS 71 HA CYS 71 -9.820 -2.682 -1.990 556 1HB CYS 71 HB2 CYS 71 -9.794 -3.822 -4.804 557 2HB CYS 71 HB1 CYS 71 -10.455 -2.267 -4.306 558 HG CYS 71 HG CYS 71 -8.196 -1.312 -4.588 559 H PHE 72 HN PHE 72 -10.205 -5.888 -3.490 560 HA PHE 72 HA PHE 72 -13.027 -6.087 -3.528 561 1HB PHE 72 HB2 PHE 72 -11.425 -7.639 -4.573 562 2HB PHE 72 HB1 PHE 72 -10.874 -8.160 -2.983 563 HD1 PHE 72 HD1 PHE 72 -14.004 -7.882 -5.038 564 HD2 PHE 72 HD2 PHE 72 -11.885 -9.996 -1.957 565 HE1 PHE 72 HE1 PHE 72 -15.807 -9.584 -4.963 566 HE2 PHE 72 HE2 PHE 72 -13.689 -11.696 -1.882 567 HZ PHE 72 HZ PHE 72 -15.648 -11.491 -3.386 568 H GLU 73 HN GLU 73 -10.768 -7.145 -0.953 569 HA GLU 73 HA GLU 73 -12.836 -7.896 0.913 570 1HB GLU 73 HB2 GLU 73 -9.935 -7.070 1.278 571 2HB GLU 73 HB1 GLU 73 -10.905 -7.911 2.489 572 1HG GLU 73 HG2 GLU 73 -10.576 -9.041 -0.286 573 2HG GLU 73 HG1 GLU 73 -9.372 -9.343 0.965 574 H GLY 74 HN GLY 74 -11.372 -4.872 0.012 575 1HA GLY 74 HA2 GLY 74 -12.576 -2.791 0.556 576 2HA GLY 74 HA1 GLY 74 -12.990 -3.504 2.117 577 H VAL 75 HN VAL 75 -9.840 -4.306 1.263 578 HA VAL 75 HA VAL 75 -8.734 -2.571 3.348 579 HB VAL 75 HB VAL 75 -7.397 -4.462 1.394 580 1HG1 VAL 75 HG11 VAL 75 -6.515 -4.090 4.215 581 2HG1 VAL 75 HG12 VAL 75 -6.191 -2.768 3.092 582 3HG1 VAL 75 HG13 VAL 75 -5.557 -4.378 2.764 583 1HG2 VAL 75 HG21 VAL 75 -8.524 -6.134 2.389 584 2HG2 VAL 75 HG22 VAL 75 -9.354 -4.983 3.432 585 3HG2 VAL 75 HG23 VAL 75 -7.808 -5.668 3.932 586 H VAL 76 HN VAL 76 -8.883 -0.414 2.450 587 HA VAL 76 HA VAL 76 -7.264 0.042 -0.030 588 HB VAL 76 HB VAL 76 -9.237 1.894 1.342 589 1HG1 VAL 76 HG11 VAL 76 -8.865 2.039 -1.559 590 2HG1 VAL 76 HG12 VAL 76 -7.376 2.325 -0.659 591 3HG1 VAL 76 HG13 VAL 76 -8.794 3.321 -0.348 592 1HG2 VAL 76 HG21 VAL 76 -10.772 0.319 0.714 593 2HG2 VAL 76 HG22 VAL 76 -9.653 -0.467 -0.400 594 3HG2 VAL 76 HG23 VAL 76 -10.516 0.989 -0.898 595 H VAL 77 HN VAL 77 -5.341 1.101 0.226 596 HA VAL 77 HA VAL 77 -4.905 2.851 2.609 597 HB VAL 77 HB VAL 77 -2.683 1.571 2.848 598 1HG1 VAL 77 HG11 VAL 77 -4.421 1.258 4.488 599 2HG1 VAL 77 HG12 VAL 77 -3.801 -0.337 4.055 600 3HG1 VAL 77 HG13 VAL 77 -5.338 0.222 3.393 601 1HG2 VAL 77 HG21 VAL 77 -4.239 -0.337 1.069 602 2HG2 VAL 77 HG22 VAL 77 -2.771 -0.768 1.946 603 3HG2 VAL 77 HG23 VAL 77 -2.712 0.452 0.675 604 HA PRO 78 HA PRO 78 -2.534 5.194 -0.281 605 1HB PRO 78 HB2 PRO 78 -0.404 6.022 1.237 606 2HB PRO 78 HB1 PRO 78 -2.031 6.714 1.402 607 1HG PRO 78 HG2 PRO 78 -0.676 4.648 3.049 608 2HG PRO 78 HG1 PRO 78 -1.694 6.002 3.564 609 1HD PRO 78 HD2 PRO 78 -2.620 3.461 3.431 610 2HD PRO 78 HD1 PRO 78 -3.657 4.871 3.108 611 H ALA 79 HN ALA 79 -1.850 3.559 -1.684 612 HA ALA 79 HA ALA 79 0.468 1.880 -0.913 613 1HB ALA 79 HB1 ALA 79 -0.323 0.597 -2.886 614 2HB ALA 79 HB2 ALA 79 -1.520 1.855 -3.194 615 3HB ALA 79 HB3 ALA 79 -1.614 0.891 -1.721 616 H ILE 80 HN ILE 80 2.444 2.060 -1.875 617 HA ILE 80 HA ILE 80 2.805 4.114 -4.018 618 HB ILE 80 HB ILE 80 4.862 2.712 -2.273 619 1HG1 ILE 80 HG12 ILE 80 3.629 5.425 -1.735 620 2HG1 ILE 80 HG11 ILE 80 2.998 3.952 -0.999 621 1HG2 ILE 80 HG21 ILE 80 6.209 4.711 -2.795 622 2HG2 ILE 80 HG22 ILE 80 4.882 5.355 -3.762 623 3HG2 ILE 80 HG23 ILE 80 5.713 3.887 -4.273 624 1HD1 ILE 80 HD11 ILE 80 5.718 3.741 -0.542 625 2HD1 ILE 80 HD12 ILE 80 4.528 4.304 0.631 626 3HD1 ILE 80 HD13 ILE 80 5.423 5.468 -0.346 627 H VAL 81 HN VAL 81 3.012 3.224 -6.091 628 HA VAL 81 HA VAL 81 3.677 0.327 -6.287 629 HB VAL 81 HB VAL 81 2.611 2.381 -8.250 630 1HG1 VAL 81 HG11 VAL 81 3.421 0.895 -9.779 631 2HG1 VAL 81 HG12 VAL 81 2.034 -0.079 -9.296 632 3HG1 VAL 81 HG13 VAL 81 3.617 -0.381 -8.577 633 1HG2 VAL 81 HG21 VAL 81 1.418 0.388 -6.374 634 2HG2 VAL 81 HG22 VAL 81 0.660 0.543 -7.959 635 3HG2 VAL 81 HG23 VAL 81 0.788 1.949 -6.902 636 H VAL 82 HN VAL 82 5.624 -0.365 -7.043 637 HA VAL 82 HA VAL 82 7.574 1.693 -7.984 638 HB VAL 82 HB VAL 82 8.108 -1.165 -7.167 639 1HG1 VAL 82 HG11 VAL 82 9.666 1.304 -7.668 640 2HG1 VAL 82 HG12 VAL 82 10.135 -0.385 -7.864 641 3HG1 VAL 82 HG13 VAL 82 10.167 0.359 -6.265 642 1HG2 VAL 82 HG21 VAL 82 8.655 0.144 -4.901 643 2HG2 VAL 82 HG22 VAL 82 7.052 -0.517 -5.217 644 3HG2 VAL 82 HG23 VAL 82 7.369 1.197 -5.492 645 H GLY 83 HN GLY 83 8.666 1.416 -9.959 646 1HA GLY 83 HA2 GLY 83 9.334 0.196 -11.923 647 2HA GLY 83 HA1 GLY 83 8.111 -1.020 -11.551 648 H ASP 84 HN ASP 84 6.625 1.896 -11.121 649 HA ASP 84 HA ASP 84 5.196 1.638 -13.687 650 1HB ASP 84 HB2 ASP 84 4.152 2.008 -11.413 651 2HB ASP 84 HB1 ASP 84 4.852 3.627 -11.425 652 H ARG 85 HN ARG 85 6.066 2.647 -15.457 653 HA ARG 85 HA ARG 85 7.862 4.952 -15.215 654 1HB ARG 85 HB2 ARG 85 6.609 3.383 -17.483 655 2HB ARG 85 HB1 ARG 85 7.654 4.775 -17.772 656 1HG ARG 85 HG2 ARG 85 9.339 3.565 -16.215 657 2HG ARG 85 HG1 ARG 85 8.355 2.130 -16.506 658 1HD ARG 85 HD2 ARG 85 9.351 3.822 -18.806 659 2HD ARG 85 HD1 ARG 85 10.343 2.523 -18.118 660 HE ARG 85 HE ARG 85 7.863 1.339 -18.468 661 1HH1 ARG 85 HH11 ARG 85 10.059 3.112 -20.457 662 2HH1 ARG 85 HH12 ARG 85 9.629 2.270 -21.907 663 1HH2 ARG 85 HH21 ARG 85 7.297 0.229 -20.358 664 2HH2 ARG 85 HH22 ARG 85 8.071 0.639 -21.851 665 H ASP 86 HN ASP 86 7.354 7.031 -16.380 666 HA ASP 86 HA ASP 86 4.417 7.644 -16.236 667 1HB ASP 86 HB2 ASP 86 6.086 8.692 -14.592 668 2HB ASP 86 HB1 ASP 86 6.725 9.586 -15.975 669 H SER 87 HN SER 87 3.730 7.538 -18.365 670 HA SER 87 HA SER 87 4.876 9.470 -20.274 671 1HB SER 87 HB2 SER 87 6.324 7.472 -20.455 672 2HB SER 87 HB1 SER 87 4.903 6.469 -20.739 673 HG SER 87 HG SER 87 6.321 7.764 -22.516 674 H GLU 88 HN GLU 88 3.621 9.048 -22.507 675 HA GLU 88 HA GLU 88 0.883 9.563 -22.135 676 1HB GLU 88 HB2 GLU 88 0.755 9.147 -24.538 677 2HB GLU 88 HB1 GLU 88 2.302 9.917 -24.181 678 1HG GLU 88 HG2 GLU 88 3.121 7.409 -23.929 679 2HG GLU 88 HG1 GLU 88 1.730 7.083 -24.964 680 H ASP 89 HN ASP 89 2.584 6.541 -22.019 681 HA ASP 89 HA ASP 89 1.819 4.298 -21.904 682 1HB ASP 89 HB2 ASP 89 0.045 6.048 -20.217 683 2HB ASP 89 HB1 ASP 89 -0.238 4.308 -20.274 684 HA PRO 90 HA PRO 90 -1.432 4.900 -25.118 685 1HB PRO 90 HB2 PRO 90 -0.053 3.729 -27.165 686 2HB PRO 90 HB1 PRO 90 0.093 5.448 -26.762 687 1HG PRO 90 HG2 PRO 90 1.953 3.218 -26.215 688 2HG PRO 90 HG1 PRO 90 2.291 4.929 -26.501 689 1HD PRO 90 HD2 PRO 90 2.272 3.660 -24.020 690 2HD PRO 90 HD1 PRO 90 2.220 5.413 -24.294 691 H ASP 91 HN ASP 91 0.718 2.058 -25.416 692 HA ASP 91 HA ASP 91 -1.664 0.286 -25.451 693 1HB ASP 91 HB2 ASP 91 1.305 -0.191 -25.876 694 2HB ASP 91 HB1 ASP 91 0.045 -1.401 -26.120 695 H GLU 92 HN GLU 92 -0.168 1.698 -23.024 696 HA GLU 92 HA GLU 92 -0.166 -0.754 -21.300 697 1HB GLU 92 HB2 GLU 92 1.733 1.603 -21.422 698 2HB GLU 92 HB1 GLU 92 1.710 0.465 -20.074 699 1HG GLU 92 HG2 GLU 92 1.863 -0.644 -22.849 700 2HG GLU 92 HG1 GLU 92 3.318 0.081 -22.163 701 HA PRO 93 HA PRO 93 -2.916 1.765 -18.943 702 1HB PRO 93 HB2 PRO 93 -3.159 0.118 -16.781 703 2HB PRO 93 HB1 PRO 93 -3.922 -0.219 -18.345 704 1HG PRO 93 HG2 PRO 93 -1.594 -1.489 -17.083 705 2HG PRO 93 HG1 PRO 93 -2.701 -2.120 -18.309 706 1HD PRO 93 HD2 PRO 93 -0.088 -1.086 -18.714 707 2HD PRO 93 HD1 PRO 93 -1.256 -1.584 -19.957 708 H ALA 94 HN ALA 94 -1.307 0.252 -16.221 709 HA ALA 94 HA ALA 94 -0.205 1.244 -14.373 710 1HB ALA 94 HB1 ALA 94 1.152 3.014 -16.381 711 2HB ALA 94 HB2 ALA 94 1.360 1.267 -16.510 712 3HB ALA 94 HB3 ALA 94 1.858 2.108 -15.043 713 H LYS 95 HN LYS 95 -2.667 2.693 -15.620 714 HA LYS 95 HA LYS 95 -2.119 5.512 -14.917 715 1HB LYS 95 HB2 LYS 95 -3.553 4.543 -16.858 716 2HB LYS 95 HB1 LYS 95 -4.778 4.266 -15.619 717 1HG LYS 95 HG2 LYS 95 -4.750 6.648 -15.025 718 2HG LYS 95 HG1 LYS 95 -3.483 6.943 -16.217 719 1HD LYS 95 HD2 LYS 95 -5.266 5.748 -17.825 720 2HD LYS 95 HD1 LYS 95 -6.386 6.407 -16.630 721 1HE LYS 95 HE2 LYS 95 -6.075 8.073 -18.390 722 2HE LYS 95 HE1 LYS 95 -5.250 8.653 -16.931 723 1HZ LYS 95 HZ1 LYS 95 -4.112 8.056 -19.427 724 2HZ LYS 95 HZ2 LYS 95 -3.511 6.935 -18.302 725 3HZ LYS 95 HZ3 LYS 95 -3.332 8.601 -18.025 726 H GLU 96 HN GLU 96 -4.752 3.264 -14.000 727 HA GLU 96 HA GLU 96 -4.340 3.944 -11.132 728 1HB GLU 96 HB2 GLU 96 -6.896 4.387 -12.719 729 2HB GLU 96 HB1 GLU 96 -6.744 4.590 -10.973 730 1HG GLU 96 HG2 GLU 96 -5.037 6.336 -11.315 731 2HG GLU 96 HG1 GLU 96 -5.179 6.132 -13.062 732 H GLN 97 HN GLN 97 -4.246 1.505 -13.015 733 HA GLN 97 HA GLN 97 -6.433 -0.152 -11.857 734 1HB GLN 97 HB2 GLN 97 -6.203 -0.281 -14.228 735 2HB GLN 97 HB1 GLN 97 -4.453 -0.465 -14.120 736 1HG GLN 97 HG2 GLN 97 -4.859 -2.626 -12.863 737 2HG GLN 97 HG1 GLN 97 -6.567 -2.461 -13.277 738 1HE2 GLN 97 HE21 GLN 97 -6.525 -4.353 -14.692 739 2HE2 GLN 97 HE22 GLN 97 -5.723 -4.318 -16.190 740 H LEU 98 HN LEU 98 -2.989 0.344 -11.590 741 HA LEU 98 HA LEU 98 -2.181 -2.203 -10.579 742 1HB LEU 98 HB2 LEU 98 -1.228 0.574 -9.809 743 2HB LEU 98 HB1 LEU 98 -0.307 -0.921 -9.661 744 HG LEU 98 HG LEU 98 -1.284 0.303 -12.260 745 1HD1 LEU 98 HD11 LEU 98 1.045 0.728 -10.643 746 2HD1 LEU 98 HD12 LEU 98 0.632 1.462 -12.194 747 3HD1 LEU 98 HD13 LEU 98 1.522 -0.059 -12.147 748 1HD2 LEU 98 HD21 LEU 98 0.336 -2.183 -11.654 749 2HD2 LEU 98 HD22 LEU 98 0.152 -1.494 -13.266 750 3HD2 LEU 98 HD23 LEU 98 -1.257 -2.128 -12.410 751 H TYR 99 HN TYR 99 -4.035 0.395 -9.329 752 HA TYR 99 HA TYR 99 -5.022 -1.058 -7.068 753 1HB TYR 99 HB2 TYR 99 -2.522 -0.374 -6.595 754 2HB TYR 99 HB1 TYR 99 -3.200 1.228 -6.330 755 HD1 TYR 99 HD1 TYR 99 -5.921 -0.345 -5.280 756 HD2 TYR 99 HD2 TYR 99 -1.764 -0.203 -4.196 757 HE1 TYR 99 HE1 TYR 99 -6.493 -0.968 -2.941 758 HE2 TYR 99 HE2 TYR 99 -2.344 -0.831 -1.874 759 HH TYR 99 HH TYR 99 -5.729 -1.168 -0.854 760 H HIS 100 HN HIS 100 -5.201 1.592 -5.543 761 HA HIS 100 HA HIS 100 -7.560 2.595 -6.972 762 1HB HIS 100 HB2 HIS 100 -7.530 4.188 -4.941 763 2HB HIS 100 HB1 HIS 100 -7.718 2.468 -4.598 764 HD2 HIS 100 HD2 HIS 100 -6.371 2.770 -2.078 765 HE1 HIS 100 HE1 HIS 100 -2.597 3.646 -3.756 766 HE2 HIS 100 HE2 HIS 100 -3.836 3.061 -1.649 767 H SER 101 HN SER 101 -7.623 5.212 -6.934 768 HA SER 101 HA SER 101 -5.492 6.032 -8.771 769 1HB SER 101 HB2 SER 101 -6.900 8.041 -8.965 770 2HB SER 101 HB1 SER 101 -7.892 6.587 -9.053 771 HG SER 101 HG SER 101 -7.439 8.233 -6.787 772 H ALA 102 HN ALA 102 -5.853 6.116 -5.375 773 HA ALA 102 HA ALA 102 -4.403 8.638 -4.929 774 1HB ALA 102 HB1 ALA 102 -5.659 6.438 -3.363 775 2HB ALA 102 HB2 ALA 102 -5.766 8.184 -3.131 776 3HB ALA 102 HB3 ALA 102 -4.345 7.306 -2.568 777 H GLU 103 HN GLU 103 -3.646 5.306 -5.471 778 HA GLU 103 HA GLU 103 -1.239 4.830 -4.186 779 1HB GLU 103 HB2 GLU 103 -0.854 3.281 -6.021 780 2HB GLU 103 HB1 GLU 103 -2.588 3.344 -5.706 781 1HG GLU 103 HG2 GLU 103 -2.781 5.079 -7.523 782 2HG GLU 103 HG1 GLU 103 -1.085 4.778 -7.909 783 H LEU 104 HN LEU 104 0.781 5.686 -4.281 784 HA LEU 104 HA LEU 104 1.398 7.746 -6.344 785 1HB LEU 104 HB2 LEU 104 2.209 7.048 -3.576 786 2HB LEU 104 HB1 LEU 104 3.503 7.661 -4.605 787 HG LEU 104 HG LEU 104 2.029 9.609 -5.189 788 1HD1 LEU 104 HD11 LEU 104 0.204 8.076 -3.414 789 2HD1 LEU 104 HD12 LEU 104 -0.177 9.136 -4.769 790 3HD1 LEU 104 HD13 LEU 104 0.219 9.825 -3.193 791 1HD2 LEU 104 HD21 LEU 104 2.639 10.814 -3.266 792 2HD2 LEU 104 HD22 LEU 104 3.742 9.437 -3.214 793 3HD2 LEU 104 HD23 LEU 104 2.302 9.453 -2.197 794 H HIS 105 HN HIS 105 3.376 7.524 -7.600 795 HA HIS 105 HA HIS 105 4.265 4.682 -7.868 796 1HB HIS 105 HB2 HIS 105 4.602 6.983 -9.796 797 2HB HIS 105 HB1 HIS 105 4.732 5.260 -10.145 798 HD1 HIS 105 HD1 HIS 105 2.532 7.745 -10.973 799 HD2 HIS 105 HD2 HIS 105 1.940 4.133 -8.975 800 HE1 HIS 105 HE1 HIS 105 0.074 7.181 -11.225 801 H LEU 106 HN LEU 106 6.452 4.178 -7.698 802 HA LEU 106 HA LEU 106 8.348 6.453 -7.209 803 1HB LEU 106 HB2 LEU 106 7.761 5.317 -5.113 804 2HB LEU 106 HB1 LEU 106 8.150 3.751 -5.830 805 HG LEU 106 HG LEU 106 10.480 4.374 -6.078 806 1HD1 LEU 106 HD11 LEU 106 9.361 7.061 -5.633 807 2HD1 LEU 106 HD12 LEU 106 10.805 6.577 -6.521 808 3HD1 LEU 106 HD13 LEU 106 10.868 6.759 -4.768 809 1HD2 LEU 106 HD21 LEU 106 10.826 5.189 -3.531 810 2HD2 LEU 106 HD22 LEU 106 10.376 3.534 -3.938 811 3HD2 LEU 106 HD23 LEU 106 9.139 4.687 -3.437 812 H GLY 107 HN GLY 107 10.122 6.374 -8.554 813 1HA GLY 107 HA2 GLY 107 10.371 4.474 -10.645 814 2HA GLY 107 HA1 GLY 107 11.675 5.533 -10.103 815 H ILE 108 HN ILE 108 11.810 2.630 -10.863 816 HA ILE 108 HA ILE 108 12.049 0.962 -8.590 817 HB ILE 108 HB ILE 108 13.555 1.033 -11.224 818 1HG1 ILE 108 HG12 ILE 108 10.992 -0.384 -10.415 819 2HG1 ILE 108 HG11 ILE 108 11.098 1.007 -11.495 820 1HG2 ILE 108 HG21 ILE 108 13.015 -1.569 -10.122 821 2HG2 ILE 108 HG22 ILE 108 13.900 -0.584 -8.959 822 3HG2 ILE 108 HG23 ILE 108 14.560 -0.850 -10.574 823 1HD1 ILE 108 HD11 ILE 108 12.729 -1.439 -12.097 824 2HD1 ILE 108 HD12 ILE 108 12.094 -0.223 -13.207 825 3HD1 ILE 108 HD13 ILE 108 11.014 -1.426 -12.505 826 H HIS 109 HN HIS 109 14.491 2.953 -10.271 827 HA HIS 109 HA HIS 109 16.586 2.316 -8.341 828 1HB HIS 109 HB2 HIS 109 16.762 2.913 -10.843 829 2HB HIS 109 HB1 HIS 109 16.505 4.583 -10.340 830 HD1 HIS 109 HD1 HIS 109 18.668 1.780 -8.899 831 HD2 HIS 109 HD2 HIS 109 19.002 5.742 -10.160 832 HE1 HIS 109 HE1 HIS 109 21.067 2.472 -8.469 833 H GLN 110 HN GLN 110 13.874 4.266 -8.188 834 HA GLN 110 HA GLN 110 15.181 6.429 -6.638 835 1HB GLN 110 HB2 GLN 110 12.334 5.925 -7.560 836 2HB GLN 110 HB1 GLN 110 12.859 7.375 -6.699 837 1HG GLN 110 HG2 GLN 110 14.569 7.734 -8.524 838 2HG GLN 110 HG1 GLN 110 13.797 6.422 -9.416 839 1HE2 GLN 110 HE21 GLN 110 12.352 7.220 -10.935 840 2HE2 GLN 110 HE22 GLN 110 11.385 8.600 -10.736 841 H LEU 111 HN LEU 111 15.062 3.633 -5.592 842 HA LEU 111 HA LEU 111 12.999 3.553 -3.538 843 1HB LEU 111 HB2 LEU 111 15.523 2.028 -4.199 844 2HB LEU 111 HB1 LEU 111 14.635 1.685 -2.721 845 HG LEU 111 HG LEU 111 14.123 0.668 -5.317 846 1HD1 LEU 111 HD11 LEU 111 13.757 -0.647 -3.378 847 2HD1 LEU 111 HD12 LEU 111 12.150 -0.372 -4.052 848 3HD1 LEU 111 HD13 LEU 111 12.695 0.565 -2.660 849 1HD2 LEU 111 HD21 LEU 111 11.785 2.339 -4.334 850 2HD2 LEU 111 HD22 LEU 111 11.841 1.333 -5.782 851 3HD2 LEU 111 HD23 LEU 111 12.815 2.798 -5.690 852 H GLU 112 HN GLU 112 13.097 5.268 -2.236 853 HA GLU 112 HA GLU 112 14.786 5.445 0.018 854 1HB GLU 112 HB2 GLU 112 16.242 7.340 -0.656 855 2HB GLU 112 HB1 GLU 112 16.538 5.950 -1.695 856 1HG GLU 112 HG2 GLU 112 14.999 6.885 -3.379 857 2HG GLU 112 HG1 GLU 112 14.713 8.277 -2.336 858 H GLN 113 HN GLN 113 12.831 6.995 -2.433 859 HA GLN 113 HA GLN 113 11.957 9.254 -0.765 860 1HB GLN 113 HB2 GLN 113 11.123 8.062 -3.430 861 2HB GLN 113 HB1 GLN 113 10.398 9.520 -2.757 862 1HG GLN 113 HG2 GLN 113 12.527 10.671 -2.783 863 2HG GLN 113 HG1 GLN 113 13.370 9.195 -3.247 864 1HE2 GLN 113 HE21 GLN 113 13.482 8.707 -5.483 865 2HE2 GLN 113 HE22 GLN 113 12.676 9.590 -6.685 866 H LEU 114 HN LEU 114 11.309 5.978 -0.723 867 HA LEU 114 HA LEU 114 8.547 5.623 -0.650 868 1HB LEU 114 HB2 LEU 114 10.819 4.450 0.946 869 2HB LEU 114 HB1 LEU 114 9.170 3.847 1.103 870 HG LEU 114 HG LEU 114 9.583 4.052 -1.656 871 1HD1 LEU 114 HD11 LEU 114 12.039 4.288 -1.001 872 2HD1 LEU 114 HD12 LEU 114 11.666 2.974 -2.118 873 3HD1 LEU 114 HD13 LEU 114 11.943 2.632 -0.411 874 1HD2 LEU 114 HD21 LEU 114 8.360 2.296 -0.315 875 2HD2 LEU 114 HD22 LEU 114 9.926 1.581 0.067 876 3HD2 LEU 114 HD23 LEU 114 9.369 1.641 -1.604 877 HA PRO 115 HA PRO 115 8.463 6.929 3.980 878 1HB PRO 115 HB2 PRO 115 10.406 8.689 4.791 879 2HB PRO 115 HB1 PRO 115 10.557 6.929 4.969 880 1HG PRO 115 HG2 PRO 115 11.696 8.722 2.876 881 2HG PRO 115 HG1 PRO 115 12.446 7.358 3.720 882 1HD PRO 115 HD2 PRO 115 11.483 7.140 1.221 883 2HD PRO 115 HD1 PRO 115 11.436 5.784 2.367 884 H TYR 116 HN TYR 116 10.066 9.404 1.950 885 HA TYR 116 HA TYR 116 8.244 11.517 2.717 886 1HB TYR 116 HB2 TYR 116 9.967 12.592 1.724 887 2HB TYR 116 HB1 TYR 116 10.608 11.057 1.155 888 HD1 TYR 116 HD1 TYR 116 10.919 10.834 -1.107 889 HD2 TYR 116 HD2 TYR 116 7.798 13.410 0.315 890 HE1 TYR 116 HE1 TYR 116 10.403 11.483 -3.433 891 HE2 TYR 116 HE2 TYR 116 7.274 14.062 -2.020 892 HH TYR 116 HH TYR 116 8.593 14.134 -4.242 893 H GLN 117 HN GLN 117 8.299 8.980 0.315 894 HA GLN 117 HA GLN 117 6.049 9.895 -1.283 895 1HB GLN 117 HB2 GLN 117 7.606 7.340 -0.866 896 2HB GLN 117 HB1 GLN 117 6.175 7.358 -1.896 897 1HG GLN 117 HG2 GLN 117 8.445 9.319 -2.257 898 2HG GLN 117 HG1 GLN 117 8.404 7.760 -3.080 899 1HE2 GLN 117 HE21 GLN 117 7.784 10.875 -3.758 900 2HE2 GLN 117 HE22 GLN 117 6.450 10.718 -4.795 901 H VAL 118 HN VAL 118 6.552 7.670 1.406 902 HA VAL 118 HA VAL 118 3.938 6.608 1.668 903 HB VAL 118 HB VAL 118 6.357 7.080 3.363 904 1HG1 VAL 118 HG11 VAL 118 5.221 5.968 5.298 905 2HG1 VAL 118 HG12 VAL 118 3.681 6.179 4.464 906 3HG1 VAL 118 HG13 VAL 118 4.610 7.589 4.972 907 1HG2 VAL 118 HG21 VAL 118 6.069 5.131 1.811 908 2HG2 VAL 118 HG22 VAL 118 4.705 4.603 2.801 909 3HG2 VAL 118 HG23 VAL 118 6.326 4.658 3.491 910 H ASP 119 HN ASP 119 5.411 9.464 3.297 911 HA ASP 119 HA ASP 119 3.031 10.314 4.643 912 1HB ASP 119 HB2 ASP 119 5.510 11.705 3.590 913 2HB ASP 119 HB1 ASP 119 4.280 12.561 4.520 914 H ALA 120 HN ALA 120 4.430 11.181 1.483 915 HA ALA 120 HA ALA 120 2.392 12.995 0.633 916 1HB ALA 120 HB1 ALA 120 4.616 11.392 -0.488 917 2HB ALA 120 HB2 ALA 120 4.211 13.085 -0.768 918 3HB ALA 120 HB3 ALA 120 3.359 11.815 -1.650 919 H ALA 121 HN ALA 121 2.778 9.473 0.262 920 HA ALA 121 HA ALA 121 0.433 9.019 -1.327 921 1HB ALA 121 HB1 ALA 121 2.013 7.286 -1.288 922 2HB ALA 121 HB2 ALA 121 0.811 6.666 -0.155 923 3HB ALA 121 HB3 ALA 121 2.278 7.436 0.448 924 H LEU 122 HN LEU 122 1.005 9.133 2.173 925 HA LEU 122 HA LEU 122 -1.537 8.164 3.034 926 1HB LEU 122 HB2 LEU 122 0.619 9.947 4.149 927 2HB LEU 122 HB1 LEU 122 -0.859 9.664 5.069 928 HG LEU 122 HG LEU 122 0.443 7.259 3.909 929 1HD1 LEU 122 HD11 LEU 122 2.469 7.687 4.803 930 2HD1 LEU 122 HD12 LEU 122 1.701 7.591 6.389 931 3HD1 LEU 122 HD13 LEU 122 1.879 9.152 5.588 932 1HD2 LEU 122 HD21 LEU 122 -0.664 6.216 5.630 933 2HD2 LEU 122 HD22 LEU 122 -1.632 7.694 5.596 934 3HD2 LEU 122 HD23 LEU 122 -0.329 7.522 6.768 935 H ALA 123 HN ALA 123 -0.407 11.532 2.533 936 HA ALA 123 HA ALA 123 -2.858 12.824 3.171 937 1HB ALA 123 HB1 ALA 123 -0.878 14.123 2.947 938 2HB ALA 123 HB2 ALA 123 -1.845 14.576 1.542 939 3HB ALA 123 HB3 ALA 123 -0.513 13.437 1.364 940 H GLU 124 HN GLU 124 -1.670 11.451 0.097 941 HA GLU 124 HA GLU 124 -3.843 12.309 -1.562 942 1HB GLU 124 HB2 GLU 124 -1.636 11.360 -2.284 943 2HB GLU 124 HB1 GLU 124 -2.171 9.779 -1.711 944 1HG GLU 124 HG2 GLU 124 -2.793 9.638 -3.943 945 2HG GLU 124 HG1 GLU 124 -4.272 10.299 -3.241 946 H PHE 125 HN PHE 125 -3.338 9.316 0.317 947 HA PHE 125 HA PHE 125 -5.742 7.987 -0.446 948 1HB PHE 125 HB2 PHE 125 -3.809 6.939 0.653 949 2HB PHE 125 HB1 PHE 125 -4.099 7.895 2.107 950 HD1 PHE 125 HD1 PHE 125 -5.976 7.425 3.576 951 HD2 PHE 125 HD2 PHE 125 -5.318 5.107 0.022 952 HE1 PHE 125 HE1 PHE 125 -7.595 5.732 4.388 953 HE2 PHE 125 HE2 PHE 125 -6.942 3.415 0.831 954 HZ PHE 125 HZ PHE 125 -8.078 3.727 3.015 955 H LEU 126 HN LEU 126 -5.067 10.243 2.247 956 HA LEU 126 HA LEU 126 -7.643 10.004 3.502 957 1HB LEU 126 HB2 LEU 126 -5.567 12.217 3.445 958 2HB LEU 126 HB1 LEU 126 -6.877 12.098 4.621 959 HG LEU 126 HG LEU 126 -4.711 10.018 4.182 960 1HD1 LEU 126 HD11 LEU 126 -5.136 12.176 6.248 961 2HD1 LEU 126 HD12 LEU 126 -3.671 11.793 5.338 962 3HD1 LEU 126 HD13 LEU 126 -4.213 10.722 6.629 963 1HD2 LEU 126 HD21 LEU 126 -5.811 9.298 6.488 964 2HD2 LEU 126 HD22 LEU 126 -6.509 8.769 4.957 965 3HD2 LEU 126 HD23 LEU 126 -7.217 10.131 5.824 966 H ARG 127 HN ARG 127 -6.362 12.222 1.030 967 HA ARG 127 HA ARG 127 -8.655 13.941 0.891 968 1HB ARG 127 HB2 ARG 127 -6.330 14.368 0.045 969 2HB ARG 127 HB1 ARG 127 -6.639 13.216 -1.256 970 1HG ARG 127 HG2 ARG 127 -8.615 14.601 -1.937 971 2HG ARG 127 HG1 ARG 127 -8.138 15.795 -0.728 972 1HD ARG 127 HD2 ARG 127 -5.868 15.895 -1.880 973 2HD ARG 127 HD1 ARG 127 -6.594 14.951 -3.197 974 HE ARG 127 HE ARG 127 -8.360 17.094 -2.581 975 1HH1 ARG 127 HH11 ARG 127 -5.226 16.475 -3.891 976 2HH1 ARG 127 HH12 ARG 127 -5.215 17.900 -4.876 977 1HH2 ARG 127 HH21 ARG 127 -8.356 18.956 -3.853 978 2HH2 ARG 127 HH22 ARG 127 -6.986 19.305 -4.853 979 H LEU 128 HN LEU 128 -7.781 10.974 -0.884 980 HA LEU 128 HA LEU 128 -10.334 11.097 -2.397 981 1HB LEU 128 HB2 LEU 128 -7.687 9.772 -2.598 982 2HB LEU 128 HB1 LEU 128 -9.058 8.911 -3.297 983 HG LEU 128 HG LEU 128 -9.660 11.043 -4.512 984 1HD1 LEU 128 HD11 LEU 128 -8.334 12.515 -2.952 985 2HD1 LEU 128 HD12 LEU 128 -8.006 12.804 -4.660 986 3HD1 LEU 128 HD13 LEU 128 -6.864 11.876 -3.687 987 1HD2 LEU 128 HD21 LEU 128 -7.999 10.707 -6.252 988 2HD2 LEU 128 HD22 LEU 128 -8.378 9.144 -5.530 989 3HD2 LEU 128 HD23 LEU 128 -6.883 9.974 -5.098 990 H ALA 129 HN ALA 129 -9.086 9.622 0.435 991 HA ALA 129 HA ALA 129 -10.298 7.075 0.416 992 1HB ALA 129 HB1 ALA 129 -9.333 9.041 2.380 993 2HB ALA 129 HB2 ALA 129 -8.990 7.317 2.249 994 3HB ALA 129 HB3 ALA 129 -10.486 7.863 3.010 995 HA PRO 130 HA PRO 130 -11.444 5.651 0.704 996 1HB PRO 130 HB2 PRO 130 -13.503 4.450 -0.629 997 2HB PRO 130 HB1 PRO 130 -13.423 4.527 1.142 998 1HG PRO 130 HG2 PRO 130 -15.010 6.169 -0.750 999 2HG PRO 130 HG1 PRO 130 -15.440 5.563 0.855 1000 1HD PRO 130 HD2 PRO 130 -14.671 8.138 0.333 1001 2HD PRO 130 HD1 PRO 130 -14.504 7.342 1.913 1002 H VAL 131 HN VAL 131 -9.953 5.978 -0.958 1003 HA VAL 131 HA VAL 131 -10.435 7.431 -3.358 1004 HB VAL 131 HB VAL 131 -8.265 6.490 -4.005 1005 1HG1 VAL 131 HG11 VAL 131 -8.825 7.599 -1.373 1006 2HG1 VAL 131 HG12 VAL 131 -7.490 7.950 -2.466 1007 3HG1 VAL 131 HG13 VAL 131 -7.381 6.590 -1.351 1008 1HG2 VAL 131 HG21 VAL 131 -8.841 4.143 -3.386 1009 2HG2 VAL 131 HG22 VAL 131 -8.684 4.585 -1.688 1010 3HG2 VAL 131 HG23 VAL 131 -7.277 4.647 -2.749 1011 H GLU 132 HN GLU 132 -10.595 6.566 -5.568 1012 HA GLU 132 HA GLU 132 -12.506 4.393 -5.809 1013 1HB GLU 132 HB2 GLU 132 -10.811 5.917 -7.820 1014 2HB GLU 132 HB1 GLU 132 -12.153 4.855 -8.245 1015 1HG GLU 132 HG2 GLU 132 -13.636 6.286 -6.782 1016 2HG GLU 132 HG1 GLU 132 -12.288 7.413 -6.633 1017 H THR 133 HN THR 133 -11.755 2.319 -5.376 1018 HA THR 133 HA THR 133 -9.017 1.542 -6.215 1019 HB THR 133 HB THR 133 -9.872 -0.614 -5.005 1020 HG1 THR 133 HG1 THR 133 -11.651 -0.296 -3.749 1021 1HG2 THR 133 HG21 THR 133 -8.261 0.709 -3.900 1022 2HG2 THR 133 HG22 THR 133 -9.605 0.638 -2.760 1023 3HG2 THR 133 HG23 THR 133 -9.364 2.077 -3.750 1024 H MET 134 HN MET 134 -12.189 1.422 -7.441 1025 HA MET 134 HA MET 134 -13.084 0.370 -9.357 1026 1HB MET 134 HB2 MET 134 -10.244 -0.530 -9.874 1027 2HB MET 134 HB1 MET 134 -11.491 -0.127 -11.054 1028 1HG MET 134 HG2 MET 134 -11.412 2.232 -9.862 1029 2HG MET 134 HG1 MET 134 -9.800 1.700 -9.385 1030 1HE MET 134 HE1 MET 134 -11.530 2.626 -13.454 1031 2HE MET 134 HE2 MET 134 -12.339 2.271 -11.928 1032 3HE MET 134 HE3 MET 134 -11.776 0.950 -12.946 1033 H ALA 135 HN ALA 135 -12.285 -1.166 -6.716 1034 HA ALA 135 HA ALA 135 -13.028 -3.837 -7.801 1035 1HB ALA 135 HB1 ALA 135 -10.428 -3.004 -6.682 1036 2HB ALA 135 HB2 ALA 135 -10.822 -4.400 -7.685 1037 3HB ALA 135 HB3 ALA 135 -11.088 -4.465 -5.944 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -0.763 7.331 21.803 2 2H MET 1 HT2 MET 1 -1.984 8.103 22.700 3 3H MET 1 HT3 MET 1 -0.635 8.984 22.160 4 HA MET 1 HA MET 1 -3.075 8.357 20.781 5 1HB MET 1 HB2 MET 1 -2.267 10.604 21.210 6 2HB MET 1 HB1 MET 1 -0.712 10.236 20.462 7 1HG MET 1 HG2 MET 1 -1.526 10.468 18.347 8 2HG MET 1 HG1 MET 1 -3.077 9.733 18.755 9 1HE MET 1 HE1 MET 1 -4.971 11.099 20.266 10 2HE MET 1 HE2 MET 1 -5.001 10.827 18.525 11 3HE MET 1 HE3 MET 1 -5.447 12.405 19.171 12 H LEU 2 HN LEU 2 -0.213 9.153 18.949 13 HA LEU 2 HA LEU 2 -0.638 6.708 17.298 14 1HB LEU 2 HB2 LEU 2 -0.726 8.905 16.214 15 2HB LEU 2 HB1 LEU 2 0.869 9.306 16.856 16 HG LEU 2 HG LEU 2 1.708 7.209 15.641 17 1HD1 LEU 2 HD11 LEU 2 -1.116 7.139 14.989 18 2HD1 LEU 2 HD12 LEU 2 0.125 5.921 14.696 19 3HD1 LEU 2 HD13 LEU 2 -0.136 7.212 13.523 20 1HD2 LEU 2 HD21 LEU 2 1.361 9.871 14.818 21 2HD2 LEU 2 HD22 LEU 2 0.853 8.901 13.437 22 3HD2 LEU 2 HD23 LEU 2 2.467 8.690 14.118 23 H SER 3 HN SER 3 0.821 5.048 17.453 24 HA SER 3 HA SER 3 3.322 5.478 18.992 25 1HB SER 3 HB2 SER 3 1.928 3.001 17.943 26 2HB SER 3 HB1 SER 3 3.322 3.000 19.018 27 HG SER 3 HG SER 3 1.597 2.880 20.348 28 H GLN 4 HN GLN 4 2.471 3.616 16.060 29 HA GLN 4 HA GLN 4 4.889 4.713 14.717 30 1HB GLN 4 HB2 GLN 4 4.266 1.791 15.235 31 2HB GLN 4 HB1 GLN 4 5.573 2.362 14.195 32 1HG GLN 4 HG2 GLN 4 6.551 3.595 16.104 33 2HG GLN 4 HG1 GLN 4 5.254 3.001 17.144 34 1HE2 GLN 4 HE21 GLN 4 8.186 2.039 15.395 35 2HE2 GLN 4 HE22 GLN 4 8.331 0.515 16.128 36 H ILE 5 HN ILE 5 4.984 3.716 12.410 37 HA ILE 5 HA ILE 5 2.284 3.987 11.188 38 HB ILE 5 HB ILE 5 5.105 4.028 10.053 39 1HG1 ILE 5 HG12 ILE 5 3.232 6.321 10.721 40 2HG1 ILE 5 HG11 ILE 5 4.624 5.848 11.695 41 1HG2 ILE 5 HG21 ILE 5 2.617 5.184 8.808 42 2HG2 ILE 5 HG22 ILE 5 3.067 3.499 8.541 43 3HG2 ILE 5 HG23 ILE 5 4.154 4.794 8.036 44 1HD1 ILE 5 HD11 ILE 5 6.022 6.972 10.341 45 2HD1 ILE 5 HD12 ILE 5 4.615 7.598 9.482 46 3HD1 ILE 5 HD13 ILE 5 5.402 6.120 8.926 47 H ALA 6 HN ALA 6 1.344 2.240 10.125 48 HA ALA 6 HA ALA 6 2.846 -0.328 10.135 49 1HB ALA 6 HB1 ALA 6 0.088 0.612 10.402 50 2HB ALA 6 HB2 ALA 6 0.815 -0.893 10.965 51 3HB ALA 6 HB3 ALA 6 0.233 -0.761 9.305 52 H ILE 7 HN ILE 7 3.955 -0.653 8.253 53 HA ILE 7 HA ILE 7 2.575 0.045 5.685 54 HB ILE 7 HB ILE 7 5.518 0.109 6.430 55 1HG1 ILE 7 HG12 ILE 7 3.503 2.296 5.834 56 2HG1 ILE 7 HG11 ILE 7 4.287 1.982 7.384 57 1HG2 ILE 7 HG21 ILE 7 4.419 1.254 3.888 58 2HG2 ILE 7 HG22 ILE 7 4.717 -0.483 3.968 59 3HG2 ILE 7 HG23 ILE 7 6.040 0.653 4.234 60 1HD1 ILE 7 HD11 ILE 7 5.474 3.799 6.304 61 2HD1 ILE 7 HD12 ILE 7 5.629 2.865 4.814 62 3HD1 ILE 7 HD13 ILE 7 6.499 2.366 6.263 63 H CYS 8 HN CYS 8 2.043 -1.813 4.600 64 HA CYS 8 HA CYS 8 3.634 -4.281 5.153 65 1HB CYS 8 HB2 CYS 8 1.123 -4.158 5.421 66 2HB CYS 8 HB1 CYS 8 1.008 -3.931 3.680 67 HG CYS 8 HG CYS 8 2.642 -6.357 4.031 68 H ILE 9 HN ILE 9 5.187 -4.763 3.646 69 HA ILE 9 HA ILE 9 4.765 -3.680 0.894 70 HB ILE 9 HB ILE 9 6.752 -2.873 2.038 71 1HG1 ILE 9 HG12 ILE 9 7.438 -5.072 0.054 72 2HG1 ILE 9 HG11 ILE 9 7.022 -3.409 -0.358 73 1HG2 ILE 9 HG21 ILE 9 7.142 -4.430 3.747 74 2HG2 ILE 9 HG22 ILE 9 8.467 -4.758 2.630 75 3HG2 ILE 9 HG23 ILE 9 7.049 -5.803 2.645 76 1HD1 ILE 9 HD11 ILE 9 9.048 -3.132 1.531 77 2HD1 ILE 9 HD12 ILE 9 9.226 -2.953 -0.214 78 3HD1 ILE 9 HD13 ILE 9 9.571 -4.504 0.552 79 H TRP 10 HN TRP 10 4.887 -5.047 -0.841 80 HA TRP 10 HA TRP 10 5.207 -7.964 -0.212 81 1HB TRP 10 HB2 TRP 10 2.908 -7.479 -0.842 82 2HB TRP 10 HB1 TRP 10 3.449 -6.550 -2.245 83 HD1 TRP 10 HD1 TRP 10 5.364 -9.679 -1.435 84 HE1 TRP 10 HE1 TRP 10 4.889 -11.479 -3.213 85 HE3 TRP 10 HE3 TRP 10 1.516 -7.445 -3.916 86 HZ2 TRP 10 HZ2 TRP 10 3.102 -11.916 -5.403 87 HZ3 TRP 10 HZ3 TRP 10 0.448 -8.567 -5.841 88 HH2 TRP 10 HH2 TRP 10 1.233 -10.799 -6.593 89 H VAL 11 HN VAL 11 7.181 -8.517 -0.963 90 HA VAL 11 HA VAL 11 7.856 -7.898 -3.764 91 HB VAL 11 HB VAL 11 8.488 -5.942 -2.326 92 1HG1 VAL 11 HG11 VAL 11 10.360 -6.218 -0.755 93 2HG1 VAL 11 HG12 VAL 11 10.358 -7.953 -1.052 94 3HG1 VAL 11 HG13 VAL 11 8.972 -7.190 -0.273 95 1HG2 VAL 11 HG21 VAL 11 11.129 -6.362 -2.937 96 2HG2 VAL 11 HG22 VAL 11 9.913 -5.795 -4.081 97 3HG2 VAL 11 HG23 VAL 11 10.327 -7.508 -4.011 98 H GLU 12 HN GLU 12 8.734 -9.749 -4.556 99 HA GLU 12 HA GLU 12 9.616 -11.857 -2.684 100 1HB GLU 12 HB2 GLU 12 9.241 -11.652 -5.689 101 2HB GLU 12 HB1 GLU 12 9.761 -13.131 -4.878 102 1HG GLU 12 HG2 GLU 12 7.705 -13.124 -3.522 103 2HG GLU 12 HG1 GLU 12 7.185 -11.634 -4.303 104 H SER 13 HN SER 13 11.106 -9.200 -3.787 105 HA SER 13 HA SER 13 13.716 -10.568 -4.319 106 1HB SER 13 HB2 SER 13 12.664 -9.062 -6.066 107 2HB SER 13 HB1 SER 13 12.844 -7.727 -4.929 108 HG SER 13 HG SER 13 15.153 -8.607 -4.876 109 H THR 14 HN THR 14 15.252 -10.338 -2.738 110 HA THR 14 HA THR 14 14.767 -8.955 -0.267 111 HB THR 14 HB THR 14 17.471 -9.676 -1.391 112 HG1 THR 14 HG1 THR 14 15.279 -11.299 -0.838 113 1HG2 THR 14 HG21 THR 14 16.170 -9.647 1.325 114 2HG2 THR 14 HG22 THR 14 17.649 -8.837 0.805 115 3HG2 THR 14 HG23 THR 14 17.628 -10.588 1.019 116 H ALA 15 HN ALA 15 16.923 -8.153 -3.028 117 HA ALA 15 HA ALA 15 17.982 -5.727 -2.075 118 1HB ALA 15 HB1 ALA 15 17.582 -5.292 -4.768 119 2HB ALA 15 HB2 ALA 15 17.447 -7.048 -4.662 120 3HB ALA 15 HB3 ALA 15 18.911 -6.242 -4.100 121 H ILE 16 HN ILE 16 14.978 -6.178 -3.999 122 HA ILE 16 HA ILE 16 14.144 -3.434 -3.856 123 HB ILE 16 HB ILE 16 12.615 -6.040 -4.152 124 1HG1 ILE 16 HG12 ILE 16 13.588 -4.069 -6.247 125 2HG1 ILE 16 HG11 ILE 16 14.418 -5.571 -5.845 126 1HG2 ILE 16 HG21 ILE 16 10.895 -4.577 -5.243 127 2HG2 ILE 16 HG22 ILE 16 11.815 -3.169 -4.710 128 3HG2 ILE 16 HG23 ILE 16 11.092 -4.251 -3.521 129 1HD1 ILE 16 HD11 ILE 16 12.058 -5.153 -7.497 130 2HD1 ILE 16 HD12 ILE 16 11.766 -6.341 -6.227 131 3HD1 ILE 16 HD13 ILE 16 13.093 -6.576 -7.366 132 H LEU 17 HN LEU 17 13.448 -6.284 -1.843 133 HA LEU 17 HA LEU 17 11.585 -5.080 -0.051 134 1HB LEU 17 HB2 LEU 17 11.751 -7.406 0.075 135 2HB LEU 17 HB1 LEU 17 13.503 -7.387 -0.090 136 HG LEU 17 HG LEU 17 12.499 -8.022 2.215 137 1HD1 LEU 17 HD11 LEU 17 14.575 -7.593 2.978 138 2HD1 LEU 17 HD12 LEU 17 14.360 -5.852 2.798 139 3HD1 LEU 17 HD13 LEU 17 14.879 -6.826 1.420 140 1HD2 LEU 17 HD21 LEU 17 12.531 -5.228 3.051 141 2HD2 LEU 17 HD22 LEU 17 11.335 -6.478 3.384 142 3HD2 LEU 17 HD23 LEU 17 11.243 -5.546 1.888 143 H GLN 18 HN GLN 18 15.131 -5.300 0.009 144 HA GLN 18 HA GLN 18 15.440 -3.949 2.539 145 1HB GLN 18 HB2 GLN 18 17.244 -4.400 0.142 146 2HB GLN 18 HB1 GLN 18 17.811 -3.708 1.663 147 1HG GLN 18 HG2 GLN 18 16.817 -5.784 2.798 148 2HG GLN 18 HG1 GLN 18 16.699 -6.473 1.178 149 1HE2 GLN 18 HE21 GLN 18 18.861 -5.826 3.801 150 2HE2 GLN 18 HE22 GLN 18 20.289 -6.337 3.033 151 H ASP 19 HN ASP 19 15.770 -2.769 -0.843 152 HA ASP 19 HA ASP 19 16.357 -0.061 -0.196 153 1HB ASP 19 HB2 ASP 19 14.856 -1.274 -2.538 154 2HB ASP 19 HB1 ASP 19 15.577 0.333 -2.520 155 H CYS 20 HN CYS 20 13.191 -1.609 -0.875 156 HA CYS 20 HA CYS 20 11.601 0.727 -0.563 157 1HB CYS 20 HB2 CYS 20 11.135 -2.229 -0.118 158 2HB CYS 20 HB1 CYS 20 9.838 -1.042 0.015 159 HG CYS 20 HG CYS 20 11.374 -1.687 -2.626 160 H GLN 21 HN GLN 21 12.783 -1.645 1.835 161 HA GLN 21 HA GLN 21 11.422 -0.224 4.022 162 1HB GLN 21 HB2 GLN 21 13.323 -2.581 3.857 163 2HB GLN 21 HB1 GLN 21 12.550 -2.034 5.347 164 1HG GLN 21 HG2 GLN 21 10.324 -2.269 4.188 165 2HG GLN 21 HG1 GLN 21 11.172 -3.027 2.841 166 1HE2 GLN 21 HE21 GLN 21 13.086 -4.167 5.106 167 2HE2 GLN 21 HE22 GLN 21 12.232 -5.532 5.637 168 H ARG 22 HN ARG 22 14.583 -0.237 2.492 169 HA ARG 22 HA ARG 22 16.209 0.776 4.596 170 1HB ARG 22 HB2 ARG 22 16.564 0.194 1.971 171 2HB ARG 22 HB1 ARG 22 16.444 1.949 1.854 172 1HG ARG 22 HG2 ARG 22 18.731 1.656 2.222 173 2HG ARG 22 HG1 ARG 22 18.135 1.905 3.867 174 1HD ARG 22 HD2 ARG 22 18.012 -0.510 4.232 175 2HD ARG 22 HD1 ARG 22 18.534 -0.807 2.563 176 HE ARG 22 HE ARG 22 20.397 0.943 3.889 177 1HH1 ARG 22 HH11 ARG 22 19.312 -2.327 3.660 178 2HH1 ARG 22 HH12 ARG 22 20.825 -3.000 4.167 179 1HH2 ARG 22 HH21 ARG 22 22.373 0.072 4.564 180 2HH2 ARG 22 HH22 ARG 22 22.554 -1.645 4.676 181 H ALA 23 HN ALA 23 14.533 2.578 2.047 182 HA ALA 23 HA ALA 23 14.795 5.164 3.193 183 1HB ALA 23 HB1 ALA 23 13.958 4.200 0.861 184 2HB ALA 23 HB2 ALA 23 13.371 5.761 1.433 185 3HB ALA 23 HB3 ALA 23 12.374 4.318 1.626 186 H LEU 24 HN LEU 24 12.086 2.785 3.424 187 HA LEU 24 HA LEU 24 10.705 4.385 5.454 188 1HB LEU 24 HB2 LEU 24 10.314 1.556 4.422 189 2HB LEU 24 HB1 LEU 24 9.129 2.503 5.328 190 HG LEU 24 HG LEU 24 10.270 3.160 2.605 191 1HD1 LEU 24 HD11 LEU 24 7.388 3.193 2.932 192 2HD1 LEU 24 HD12 LEU 24 8.062 1.624 3.374 193 3HD1 LEU 24 HD13 LEU 24 8.370 2.298 1.773 194 1HD2 LEU 24 HD21 LEU 24 8.900 4.785 4.675 195 2HD2 LEU 24 HD22 LEU 24 8.365 5.009 3.018 196 3HD2 LEU 24 HD23 LEU 24 10.052 5.271 3.448 197 H SER 25 HN SER 25 13.037 4.141 6.608 198 HA SER 25 HA SER 25 12.944 1.766 8.424 199 1HB SER 25 HB2 SER 25 15.093 3.514 7.273 200 2HB SER 25 HB1 SER 25 15.369 2.801 8.859 201 HG SER 25 HG SER 25 15.851 1.058 7.803 202 H ALA 26 HN ALA 26 11.655 4.677 8.377 203 HA ALA 26 HA ALA 26 12.632 6.249 10.464 204 1HB ALA 26 HB1 ALA 26 9.776 6.101 10.635 205 2HB ALA 26 HB2 ALA 26 10.236 5.919 8.944 206 3HB ALA 26 HB3 ALA 26 10.752 7.341 9.854 207 H ASP 27 HN ASP 27 12.473 6.161 12.714 208 HA ASP 27 HA ASP 27 12.444 3.646 14.005 209 1HB ASP 27 HB2 ASP 27 12.410 5.028 16.036 210 2HB ASP 27 HB1 ASP 27 13.441 5.776 14.815 211 H ARG 28 HN ARG 28 9.793 5.511 12.871 212 HA ARG 28 HA ARG 28 7.916 4.063 14.696 213 1HB ARG 28 HB2 ARG 28 6.455 5.915 14.374 214 2HB ARG 28 HB1 ARG 28 8.060 6.631 14.518 215 1HG ARG 28 HG2 ARG 28 8.244 6.834 12.099 216 2HG ARG 28 HG1 ARG 28 6.714 5.986 11.878 217 1HD ARG 28 HD2 ARG 28 6.092 8.261 11.720 218 2HD ARG 28 HD1 ARG 28 5.731 7.864 13.412 219 HE ARG 28 HE ARG 28 8.414 8.651 13.414 220 1HH1 ARG 28 HH11 ARG 28 5.377 9.989 12.447 221 2HH1 ARG 28 HH12 ARG 28 5.844 11.621 12.784 222 1HH2 ARG 28 HH21 ARG 28 9.027 10.780 13.863 223 2HH2 ARG 28 HH22 ARG 28 7.906 12.069 13.583 224 H TYR 29 HN TYR 29 9.202 2.907 12.280 225 HA TYR 29 HA TYR 29 6.837 2.607 10.471 226 1HB TYR 29 HB2 TYR 29 9.790 2.643 10.184 227 2HB TYR 29 HB1 TYR 29 8.932 1.506 9.143 228 HD1 TYR 29 HD1 TYR 29 8.336 2.336 7.047 229 HD2 TYR 29 HD2 TYR 29 8.396 4.978 10.424 230 HE1 TYR 29 HE1 TYR 29 7.581 4.201 5.608 231 HE2 TYR 29 HE2 TYR 29 7.671 6.858 8.974 232 HH TYR 29 HH TYR 29 7.759 7.440 6.548 233 H GLN 30 HN GLN 30 5.800 0.691 10.420 234 HA GLN 30 HA GLN 30 7.086 -1.696 11.714 235 1HB GLN 30 HB2 GLN 30 4.948 -0.611 12.622 236 2HB GLN 30 HB1 GLN 30 4.156 -1.169 11.153 237 1HG GLN 30 HG2 GLN 30 4.629 -3.473 11.676 238 2HG GLN 30 HG1 GLN 30 5.667 -3.008 13.027 239 1HE2 GLN 30 HE21 GLN 30 3.958 -0.930 14.123 240 2HE2 GLN 30 HE22 GLN 30 2.577 -1.684 14.756 241 H LEU 31 HN LEU 31 8.166 -2.307 9.727 242 HA LEU 31 HA LEU 31 6.615 -2.614 7.263 243 1HB LEU 31 HB2 LEU 31 9.408 -3.565 7.926 244 2HB LEU 31 HB1 LEU 31 8.756 -3.145 6.340 245 HG LEU 31 HG LEU 31 9.285 -1.274 8.657 246 1HD1 LEU 31 HD11 LEU 31 10.590 -1.915 6.082 247 2HD1 LEU 31 HD12 LEU 31 11.279 -1.241 7.558 248 3HD1 LEU 31 HD13 LEU 31 10.420 -0.193 6.426 249 1HD2 LEU 31 HD21 LEU 31 8.378 0.488 7.116 250 2HD2 LEU 31 HD22 LEU 31 7.154 -0.654 7.659 251 3HD2 LEU 31 HD23 LEU 31 7.831 -0.793 6.037 252 H GLN 32 HN GLN 32 5.504 -4.392 6.729 253 HA GLN 32 HA GLN 32 6.209 -6.987 8.048 254 1HB GLN 32 HB2 GLN 32 3.910 -5.805 8.408 255 2HB GLN 32 HB1 GLN 32 3.566 -6.294 6.748 256 1HG GLN 32 HG2 GLN 32 2.758 -7.979 8.381 257 2HG GLN 32 HG1 GLN 32 4.007 -8.639 7.325 258 1HE2 GLN 32 HE21 GLN 32 5.967 -9.352 8.296 259 2HE2 GLN 32 HE22 GLN 32 6.282 -9.240 9.960 260 H VAL 33 HN VAL 33 7.556 -7.923 6.540 261 HA VAL 33 HA VAL 33 7.173 -7.518 3.675 262 HB VAL 33 HB VAL 33 8.966 -9.347 5.293 263 1HG1 VAL 33 HG11 VAL 33 9.706 -10.172 3.328 264 2HG1 VAL 33 HG12 VAL 33 9.982 -8.542 2.715 265 3HG1 VAL 33 HG13 VAL 33 8.404 -9.304 2.515 266 1HG2 VAL 33 HG21 VAL 33 10.641 -7.607 4.963 267 2HG2 VAL 33 HG22 VAL 33 9.210 -6.886 5.702 268 3HG2 VAL 33 HG23 VAL 33 9.518 -6.672 3.977 269 H CYS 34 HN CYS 34 5.856 -8.688 2.439 270 HA CYS 34 HA CYS 34 4.978 -11.388 3.411 271 1HB CYS 34 HB2 CYS 34 3.717 -9.424 1.462 272 2HB CYS 34 HB1 CYS 34 2.995 -10.941 2.001 273 HG CYS 34 HG CYS 34 3.375 -9.685 4.518 274 H GLU 35 HN GLU 35 6.119 -12.986 2.338 275 HA GLU 35 HA GLU 35 7.686 -12.554 -0.008 276 1HB GLU 35 HB2 GLU 35 6.518 -15.053 1.253 277 2HB GLU 35 HB1 GLU 35 7.774 -15.059 0.015 278 1HG GLU 35 HG2 GLU 35 9.233 -13.710 1.484 279 2HG GLU 35 HG1 GLU 35 7.985 -13.724 2.732 280 H SER 36 HN SER 36 4.381 -13.788 0.403 281 HA SER 36 HA SER 36 4.138 -13.990 -2.570 282 1HB SER 36 HB2 SER 36 2.512 -15.623 -2.136 283 2HB SER 36 HB1 SER 36 3.597 -15.847 -0.769 284 HG SER 36 HG SER 36 2.178 -14.872 0.532 285 H GLY 37 HN GLY 37 1.434 -13.664 -2.856 286 1HA GLY 37 HA2 GLY 37 1.052 -10.801 -2.112 287 2HA GLY 37 HA1 GLY 37 0.193 -11.641 -3.415 288 H GLU 38 HN GLU 38 -0.092 -14.033 -1.720 289 HA GLU 38 HA GLU 38 -2.661 -13.487 -0.524 290 1HB GLU 38 HB2 GLU 38 -0.695 -15.724 -0.834 291 2HB GLU 38 HB1 GLU 38 -1.949 -15.905 0.380 292 1HG GLU 38 HG2 GLU 38 -3.540 -15.116 -1.567 293 2HG GLU 38 HG1 GLU 38 -2.217 -15.677 -2.593 294 H MET 39 HN MET 39 0.673 -13.794 0.583 295 HA MET 39 HA MET 39 0.151 -13.855 3.400 296 1HB MET 39 HB2 MET 39 2.435 -13.204 1.565 297 2HB MET 39 HB1 MET 39 2.597 -12.816 3.279 298 1HG MET 39 HG2 MET 39 1.813 -15.544 2.219 299 2HG MET 39 HG1 MET 39 3.451 -15.097 2.694 300 1HE MET 39 HE1 MET 39 1.735 -17.306 3.361 301 2HE MET 39 HE2 MET 39 0.348 -16.997 4.401 302 3HE MET 39 HE3 MET 39 1.847 -17.602 5.103 303 H LEU 40 HN LEU 40 0.545 -11.319 1.005 304 HA LEU 40 HA LEU 40 0.594 -9.064 2.787 305 1HB LEU 40 HB2 LEU 40 1.350 -8.690 0.605 306 2HB LEU 40 HB1 LEU 40 0.064 -9.660 -0.111 307 HG LEU 40 HG LEU 40 -1.566 -7.927 0.284 308 1HD1 LEU 40 HD11 LEU 40 0.641 -6.748 1.953 309 2HD1 LEU 40 HD12 LEU 40 -1.040 -7.044 2.395 310 3HD1 LEU 40 HD13 LEU 40 -0.637 -5.720 1.306 311 1HD2 LEU 40 HD21 LEU 40 -0.128 -7.622 -1.694 312 2HD2 LEU 40 HD22 LEU 40 1.026 -6.711 -0.721 313 3HD2 LEU 40 HD23 LEU 40 -0.588 -6.061 -1.013 314 H LEU 41 HN LEU 41 -2.024 -10.613 0.906 315 HA LEU 41 HA LEU 41 -4.180 -8.985 1.749 316 1HB LEU 41 HB2 LEU 41 -4.017 -11.948 1.101 317 2HB LEU 41 HB1 LEU 41 -5.507 -11.008 1.121 318 HG LEU 41 HG LEU 41 -3.119 -10.310 -0.605 319 1HD1 LEU 41 HD11 LEU 41 -3.772 -12.193 -1.737 320 2HD1 LEU 41 HD12 LEU 41 -5.013 -11.108 -2.357 321 3HD1 LEU 41 HD13 LEU 41 -5.382 -12.194 -1.015 322 1HD2 LEU 41 HD21 LEU 41 -4.829 -8.540 0.080 323 2HD2 LEU 41 HD22 LEU 41 -6.012 -9.463 -0.847 324 3HD2 LEU 41 HD23 LEU 41 -4.609 -8.763 -1.654 325 H GLU 42 HN GLU 42 -2.672 -11.801 3.282 326 HA GLU 42 HA GLU 42 -4.543 -12.214 5.390 327 1HB GLU 42 HB2 GLU 42 -2.489 -13.564 4.552 328 2HB GLU 42 HB1 GLU 42 -1.545 -12.520 5.613 329 1HG GLU 42 HG2 GLU 42 -2.815 -13.233 7.548 330 2HG GLU 42 HG1 GLU 42 -3.926 -14.154 6.532 331 H TYR 43 HN TYR 43 -1.568 -10.196 5.328 332 HA TYR 43 HA TYR 43 -1.853 -9.186 7.998 333 1HB TYR 43 HB2 TYR 43 0.248 -8.998 6.899 334 2HB TYR 43 HB1 TYR 43 -0.476 -8.250 5.476 335 HD1 TYR 43 HD1 TYR 43 0.597 -7.711 8.965 336 HD2 TYR 43 HD2 TYR 43 -1.125 -5.907 5.468 337 HE1 TYR 43 HE1 TYR 43 0.956 -5.464 9.951 338 HE2 TYR 43 HE2 TYR 43 -0.771 -3.660 6.457 339 HH TYR 43 HH TYR 43 -0.317 -3.047 9.522 340 H ALA 44 HN ALA 44 -3.058 -8.009 4.863 341 HA ALA 44 HA ALA 44 -4.221 -5.579 6.030 342 1HB ALA 44 HB1 ALA 44 -3.323 -6.355 3.574 343 2HB ALA 44 HB2 ALA 44 -4.411 -4.990 3.824 344 3HB ALA 44 HB3 ALA 44 -5.060 -6.565 3.363 345 H GLN 45 HN GLN 45 -5.326 -8.815 5.162 346 HA GLN 45 HA GLN 45 -8.120 -8.449 5.040 347 1HB GLN 45 HB2 GLN 45 -6.206 -10.617 5.743 348 2HB GLN 45 HB1 GLN 45 -7.898 -10.884 6.166 349 1HG GLN 45 HG2 GLN 45 -8.609 -10.691 3.936 350 2HG GLN 45 HG1 GLN 45 -7.109 -9.911 3.433 351 1HE2 GLN 45 HE21 GLN 45 -7.095 -11.733 1.751 352 2HE2 GLN 45 HE22 GLN 45 -6.440 -13.229 2.208 353 H THR 46 HN THR 46 -6.071 -8.022 7.778 354 HA THR 46 HA THR 46 -8.502 -8.063 9.544 355 HB THR 46 HB THR 46 -7.277 -9.258 11.159 356 HG1 THR 46 HG1 THR 46 -5.066 -9.275 11.213 357 1HG2 THR 46 HG21 THR 46 -6.621 -11.211 10.033 358 2HG2 THR 46 HG22 THR 46 -5.890 -10.312 8.704 359 3HG2 THR 46 HG23 THR 46 -7.644 -10.419 8.835 360 H HIS 47 HN HIS 47 -6.211 -6.100 8.216 361 HA HIS 47 HA HIS 47 -6.520 -4.100 10.405 362 1HB HIS 47 HB2 HIS 47 -3.945 -5.021 9.073 363 2HB HIS 47 HB1 HIS 47 -4.057 -3.591 10.102 364 HD1 HIS 47 HD1 HIS 47 -4.951 -4.085 12.634 365 HD2 HIS 47 HD2 HIS 47 -3.596 -7.388 10.479 366 HE1 HIS 47 HE1 HIS 47 -4.531 -5.923 14.329 367 H ARG 48 HN ARG 48 -7.659 -4.557 7.683 368 HA ARG 48 HA ARG 48 -6.686 -3.154 5.531 369 1HB ARG 48 HB2 ARG 48 -9.459 -2.395 6.339 370 2HB ARG 48 HB1 ARG 48 -8.874 -2.995 4.793 371 1HG ARG 48 HG2 ARG 48 -8.645 -5.264 5.823 372 2HG ARG 48 HG1 ARG 48 -9.383 -4.621 7.295 373 1HD ARG 48 HD2 ARG 48 -11.409 -3.990 6.028 374 2HD ARG 48 HD1 ARG 48 -10.688 -4.643 4.549 375 HE ARG 48 HE ARG 48 -10.981 -6.848 5.406 376 1HH1 ARG 48 HH11 ARG 48 -11.615 -4.419 7.798 377 2HH1 ARG 48 HH12 ARG 48 -12.366 -5.528 8.894 378 1HH2 ARG 48 HH21 ARG 48 -11.957 -8.280 6.841 379 2HH2 ARG 48 HH22 ARG 48 -12.555 -7.700 8.359 380 H ASP 49 HN ASP 49 -8.631 -1.591 8.057 381 HA ASP 49 HA ASP 49 -7.909 1.096 7.153 382 1HB ASP 49 HB2 ASP 49 -9.894 -0.162 8.698 383 2HB ASP 49 HB1 ASP 49 -9.044 0.896 9.825 384 H GLN 50 HN GLN 50 -6.363 -1.211 9.128 385 HA GLN 50 HA GLN 50 -5.006 0.825 10.810 386 1HB GLN 50 HB2 GLN 50 -5.107 -2.193 10.720 387 2HB GLN 50 HB1 GLN 50 -4.028 -1.317 11.806 388 1HG GLN 50 HG2 GLN 50 -6.041 -0.077 12.684 389 2HG GLN 50 HG1 GLN 50 -7.055 -1.159 11.728 390 1HE2 GLN 50 HE21 GLN 50 -7.871 -2.793 13.054 391 2HE2 GLN 50 HE22 GLN 50 -7.000 -3.570 14.291 392 H ILE 51 HN ILE 51 -4.480 0.253 7.747 393 HA ILE 51 HA ILE 51 -1.557 -0.357 7.998 394 HB ILE 51 HB ILE 51 -3.283 -0.134 5.514 395 1HG1 ILE 51 HG12 ILE 51 -4.286 -1.916 6.662 396 2HG1 ILE 51 HG11 ILE 51 -3.083 -2.724 5.666 397 1HG2 ILE 51 HG21 ILE 51 -1.018 -0.033 4.858 398 2HG2 ILE 51 HG22 ILE 51 -1.405 -1.747 4.714 399 3HG2 ILE 51 HG23 ILE 51 -0.511 -1.160 6.117 400 1HD1 ILE 51 HD11 ILE 51 -3.134 -2.332 8.618 401 2HD1 ILE 51 HD12 ILE 51 -1.558 -2.242 7.827 402 3HD1 ILE 51 HD13 ILE 51 -2.542 -3.697 7.676 403 H ASP 52 HN ASP 52 -0.158 1.355 7.878 404 HA ASP 52 HA ASP 52 -1.188 4.032 7.307 405 1HB ASP 52 HB2 ASP 52 1.364 2.752 8.228 406 2HB ASP 52 HB1 ASP 52 1.419 4.408 7.623 407 H CYS 53 HN CYS 53 0.530 1.529 5.547 408 HA CYS 53 HA CYS 53 0.196 2.903 3.024 409 1HB CYS 53 HB2 CYS 53 2.117 4.007 4.542 410 2HB CYS 53 HB1 CYS 53 3.071 2.727 3.788 411 HG CYS 53 HG CYS 53 1.904 3.817 1.465 412 H LEU 54 HN LEU 54 0.154 1.266 1.488 413 HA LEU 54 HA LEU 54 1.537 -1.305 2.185 414 1HB LEU 54 HB2 LEU 54 -0.985 -0.993 1.548 415 2HB LEU 54 HB1 LEU 54 -0.379 -0.819 -0.101 416 HG LEU 54 HG LEU 54 0.392 -3.172 1.637 417 1HD1 LEU 54 HD11 LEU 54 -1.542 -3.810 -0.403 418 2HD1 LEU 54 HD12 LEU 54 -2.203 -2.589 0.685 419 3HD1 LEU 54 HD13 LEU 54 -1.622 -4.125 1.331 420 1HD2 LEU 54 HD21 LEU 54 0.134 -3.555 -1.240 421 2HD2 LEU 54 HD22 LEU 54 1.523 -3.860 -0.201 422 3HD2 LEU 54 HD23 LEU 54 1.255 -2.251 -0.867 423 H ILE 55 HN ILE 55 3.277 -2.014 0.901 424 HA ILE 55 HA ILE 55 4.087 -0.189 -1.334 425 HB ILE 55 HB ILE 55 5.613 -2.339 0.156 426 1HG1 ILE 55 HG12 ILE 55 5.705 0.672 0.426 427 2HG1 ILE 55 HG11 ILE 55 5.003 -0.438 1.609 428 1HG2 ILE 55 HG21 ILE 55 7.531 -1.613 -0.995 429 2HG2 ILE 55 HG22 ILE 55 6.759 -0.114 -1.514 430 3HG2 ILE 55 HG23 ILE 55 6.284 -1.651 -2.241 431 1HD1 ILE 55 HD11 ILE 55 7.041 -0.774 2.505 432 2HD1 ILE 55 HD12 ILE 55 7.743 0.327 1.319 433 3HD1 ILE 55 HD13 ILE 55 7.612 -1.392 0.954 434 H LEU 56 HN LEU 56 4.142 -0.979 -3.434 435 HA LEU 56 HA LEU 56 3.843 -3.928 -3.792 436 1HB LEU 56 HB2 LEU 56 2.169 -1.677 -4.913 437 2HB LEU 56 HB1 LEU 56 2.163 -3.300 -5.610 438 HG LEU 56 HG LEU 56 1.512 -2.605 -2.734 439 1HD1 LEU 56 HD11 LEU 56 -0.608 -2.399 -3.431 440 2HD1 LEU 56 HD12 LEU 56 -0.539 -3.993 -4.183 441 3HD1 LEU 56 HD13 LEU 56 -0.055 -2.564 -5.098 442 1HD2 LEU 56 HD21 LEU 56 2.353 -4.749 -2.524 443 2HD2 LEU 56 HD22 LEU 56 2.007 -5.161 -4.205 444 3HD2 LEU 56 HD23 LEU 56 0.704 -5.144 -3.015 445 H VAL 57 HN VAL 57 4.767 -4.744 -5.639 446 HA VAL 57 HA VAL 57 6.480 -2.868 -7.243 447 HB VAL 57 HB VAL 57 6.751 -5.758 -6.361 448 1HG1 VAL 57 HG11 VAL 57 7.962 -4.336 -8.655 449 2HG1 VAL 57 HG12 VAL 57 7.749 -6.067 -8.385 450 3HG1 VAL 57 HG13 VAL 57 9.095 -5.214 -7.627 451 1HG2 VAL 57 HG21 VAL 57 7.748 -4.614 -4.656 452 2HG2 VAL 57 HG22 VAL 57 7.941 -3.152 -5.623 453 3HG2 VAL 57 HG23 VAL 57 9.092 -4.477 -5.788 454 H ALA 58 HN ALA 58 5.548 -2.577 -9.253 455 HA ALA 58 HA ALA 58 3.501 -4.280 -10.331 456 1HB ALA 58 HB1 ALA 58 4.347 -1.793 -10.784 457 2HB ALA 58 HB2 ALA 58 3.462 -2.705 -12.010 458 3HB ALA 58 HB3 ALA 58 5.221 -2.599 -12.086 459 H ALA 59 HN ALA 59 6.861 -4.700 -10.176 460 HA ALA 59 HA ALA 59 7.490 -5.968 -12.639 461 1HB ALA 59 HB1 ALA 59 8.655 -6.955 -10.082 462 2HB ALA 59 HB2 ALA 59 8.790 -5.228 -10.411 463 3HB ALA 59 HB3 ALA 59 9.467 -6.397 -11.546 464 H ASN 60 HN ASN 60 5.489 -7.091 -10.033 465 HA ASN 60 HA ASN 60 5.841 -9.952 -10.636 466 1HB ASN 60 HB2 ASN 60 4.285 -8.225 -8.745 467 2HB ASN 60 HB1 ASN 60 3.786 -9.907 -8.955 468 1HD2 ASN 60 HD21 ASN 60 4.558 -10.033 -6.569 469 2HD2 ASN 60 HD22 ASN 60 6.207 -10.324 -6.303 470 HA PRO 61 HA PRO 61 2.684 -10.171 -13.686 471 1HB PRO 61 HB2 PRO 61 2.037 -12.819 -13.486 472 2HB PRO 61 HB1 PRO 61 3.535 -12.234 -14.232 473 1HG PRO 61 HG2 PRO 61 3.097 -13.449 -11.571 474 2HG PRO 61 HG1 PRO 61 4.507 -13.527 -12.637 475 1HD PRO 61 HD2 PRO 61 4.285 -11.920 -10.384 476 2HD PRO 61 HD1 PRO 61 5.456 -11.697 -11.699 477 H SER 62 HN SER 62 1.587 -12.370 -11.082 478 HA SER 62 HA SER 62 -1.186 -11.598 -11.443 479 1HB SER 62 HB2 SER 62 -1.421 -13.017 -9.345 480 2HB SER 62 HB1 SER 62 -0.619 -13.814 -10.697 481 HG SER 62 HG SER 62 0.417 -13.953 -8.555 482 H PHE 63 HN PHE 63 1.313 -9.894 -10.087 483 HA PHE 63 HA PHE 63 0.527 -8.930 -7.609 484 1HB PHE 63 HB2 PHE 63 2.513 -8.069 -8.425 485 2HB PHE 63 HB1 PHE 63 1.870 -7.832 -10.044 486 HD1 PHE 63 HD1 PHE 63 0.939 -6.608 -6.602 487 HD2 PHE 63 HD2 PHE 63 1.848 -5.608 -10.675 488 HE1 PHE 63 HE1 PHE 63 0.542 -4.214 -6.107 489 HE2 PHE 63 HE2 PHE 63 1.446 -3.222 -10.187 490 HZ PHE 63 HZ PHE 63 0.798 -2.517 -7.900 491 H ARG 64 HN ARG 64 -0.638 -7.730 -10.791 492 HA ARG 64 HA ARG 64 -2.443 -5.778 -9.893 493 1HB ARG 64 HB2 ARG 64 -3.067 -7.799 -12.063 494 2HB ARG 64 HB1 ARG 64 -3.507 -6.099 -12.022 495 1HG ARG 64 HG2 ARG 64 -0.787 -7.311 -12.524 496 2HG ARG 64 HG1 ARG 64 -1.730 -6.276 -13.591 497 1HD ARG 64 HD2 ARG 64 -1.533 -4.476 -11.763 498 2HD ARG 64 HD1 ARG 64 -0.259 -5.498 -11.077 499 HE ARG 64 HE ARG 64 -0.043 -3.959 -13.534 500 1HH1 ARG 64 HH11 ARG 64 0.887 -6.870 -11.923 501 2HH1 ARG 64 HH12 ARG 64 2.375 -7.027 -12.795 502 1HH2 ARG 64 HH21 ARG 64 1.901 -4.152 -14.663 503 2HH2 ARG 64 HH22 ARG 64 2.954 -5.485 -14.330 504 H ALA 65 HN ALA 65 -2.941 -9.289 -10.275 505 HA ALA 65 HA ALA 65 -5.658 -9.419 -9.445 506 1HB ALA 65 HB1 ALA 65 -3.745 -11.119 -10.371 507 2HB ALA 65 HB2 ALA 65 -5.254 -11.674 -9.648 508 3HB ALA 65 HB3 ALA 65 -3.786 -11.597 -8.675 509 H VAL 66 HN VAL 66 -2.668 -9.894 -7.535 510 HA VAL 66 HA VAL 66 -3.864 -10.315 -5.016 511 HB VAL 66 HB VAL 66 -1.294 -9.085 -5.990 512 1HG1 VAL 66 HG11 VAL 66 -0.709 -9.754 -3.434 513 2HG1 VAL 66 HG12 VAL 66 -2.379 -9.228 -3.225 514 3HG1 VAL 66 HG13 VAL 66 -1.185 -8.126 -3.909 515 1HG2 VAL 66 HG21 VAL 66 -1.952 -11.563 -6.242 516 2HG2 VAL 66 HG22 VAL 66 -1.758 -11.664 -4.491 517 3HG2 VAL 66 HG23 VAL 66 -0.389 -11.223 -5.506 518 H VAL 67 HN VAL 67 -2.954 -7.210 -6.598 519 HA VAL 67 HA VAL 67 -3.750 -5.544 -4.392 520 HB VAL 67 HB VAL 67 -3.770 -4.996 -7.377 521 1HG1 VAL 67 HG11 VAL 67 -4.536 -2.988 -6.658 522 2HG1 VAL 67 HG12 VAL 67 -2.912 -2.742 -6.012 523 3HG1 VAL 67 HG13 VAL 67 -4.189 -3.373 -4.971 524 1HG2 VAL 67 HG21 VAL 67 -1.602 -5.380 -5.386 525 2HG2 VAL 67 HG22 VAL 67 -1.426 -3.984 -6.450 526 3HG2 VAL 67 HG23 VAL 67 -1.574 -5.602 -7.135 527 H GLN 68 HN GLN 68 -5.499 -6.718 -7.279 528 HA GLN 68 HA GLN 68 -7.955 -5.365 -6.843 529 1HB GLN 68 HB2 GLN 68 -8.517 -6.586 -8.684 530 2HB GLN 68 HB1 GLN 68 -6.866 -7.184 -8.636 531 1HG GLN 68 HG2 GLN 68 -7.503 -9.204 -7.594 532 2HG GLN 68 HG1 GLN 68 -9.040 -8.548 -7.044 533 1HE2 GLN 68 HE21 GLN 68 -10.827 -8.608 -8.490 534 2HE2 GLN 68 HE22 GLN 68 -10.746 -9.317 -10.031 535 H GLN 69 HN GLN 69 -6.606 -8.310 -5.422 536 HA GLN 69 HA GLN 69 -8.928 -9.250 -4.053 537 1HB GLN 69 HB2 GLN 69 -6.509 -10.212 -4.426 538 2HB GLN 69 HB1 GLN 69 -6.143 -9.373 -2.916 539 1HG GLN 69 HG2 GLN 69 -6.802 -11.640 -2.373 540 2HG GLN 69 HG1 GLN 69 -8.094 -10.555 -1.862 541 1HE2 GLN 69 HE21 GLN 69 -9.311 -12.782 -2.111 542 2HE2 GLN 69 HE22 GLN 69 -9.986 -13.090 -3.639 543 H LEU 70 HN LEU 70 -6.371 -6.945 -3.079 544 HA LEU 70 HA LEU 70 -7.300 -6.386 -0.443 545 1HB LEU 70 HB2 LEU 70 -5.744 -4.970 -2.586 546 2HB LEU 70 HB1 LEU 70 -6.239 -4.042 -1.170 547 HG LEU 70 HG LEU 70 -5.122 -6.656 -0.473 548 1HD1 LEU 70 HD11 LEU 70 -3.592 -6.510 -2.225 549 2HD1 LEU 70 HD12 LEU 70 -2.741 -5.648 -0.945 550 3HD1 LEU 70 HD13 LEU 70 -3.585 -4.746 -2.206 551 1HD2 LEU 70 HD21 LEU 70 -5.253 -3.937 0.508 552 2HD2 LEU 70 HD22 LEU 70 -3.586 -4.516 0.553 553 3HD2 LEU 70 HD23 LEU 70 -4.854 -5.412 1.390 554 H CYS 71 HN CYS 71 -7.951 -4.604 -3.476 555 HA CYS 71 HA CYS 71 -9.963 -2.858 -2.448 556 1HB CYS 71 HB2 CYS 71 -9.483 -4.066 -5.196 557 2HB CYS 71 HB1 CYS 71 -10.554 -2.699 -4.895 558 HG CYS 71 HG CYS 71 -7.461 -2.604 -4.438 559 H PHE 72 HN PHE 72 -10.118 -6.117 -3.850 560 HA PHE 72 HA PHE 72 -12.905 -6.450 -4.124 561 1HB PHE 72 HB2 PHE 72 -10.971 -7.920 -4.846 562 2HB PHE 72 HB1 PHE 72 -10.872 -8.492 -3.185 563 HD1 PHE 72 HD1 PHE 72 -12.610 -9.894 -2.224 564 HD2 PHE 72 HD2 PHE 72 -12.873 -8.500 -6.277 565 HE1 PHE 72 HE1 PHE 72 -14.402 -11.555 -2.677 566 HE2 PHE 72 HE2 PHE 72 -14.666 -10.154 -6.730 567 HZ PHE 72 HZ PHE 72 -15.429 -11.682 -4.933 568 H GLU 73 HN GLU 73 -10.859 -6.998 -1.218 569 HA GLU 73 HA GLU 73 -13.212 -7.737 0.395 570 1HB GLU 73 HB2 GLU 73 -10.395 -7.064 1.291 571 2HB GLU 73 HB1 GLU 73 -11.573 -8.077 2.127 572 1HG GLU 73 HG2 GLU 73 -11.510 -9.474 -0.102 573 2HG GLU 73 HG1 GLU 73 -9.945 -8.688 -0.312 574 H GLY 74 HN GLY 74 -11.796 -4.844 -0.661 575 1HA GLY 74 HA2 GLY 74 -12.730 -2.679 -0.170 576 2HA GLY 74 HA1 GLY 74 -13.368 -3.326 1.341 577 H VAL 75 HN VAL 75 -10.091 -4.145 0.605 578 HA VAL 75 HA VAL 75 -9.194 -2.491 2.892 579 HB VAL 75 HB VAL 75 -7.768 -4.480 1.096 580 1HG1 VAL 75 HG11 VAL 75 -7.026 -3.164 3.722 581 2HG1 VAL 75 HG12 VAL 75 -6.167 -3.036 2.186 582 3HG1 VAL 75 HG13 VAL 75 -6.182 -4.566 3.065 583 1HG2 VAL 75 HG21 VAL 75 -8.838 -4.882 3.904 584 2HG2 VAL 75 HG22 VAL 75 -8.210 -6.113 2.806 585 3HG2 VAL 75 HG23 VAL 75 -9.749 -5.326 2.461 586 H VAL 76 HN VAL 76 -9.138 -0.353 2.056 587 HA VAL 76 HA VAL 76 -7.363 0.054 -0.316 588 HB VAL 76 HB VAL 76 -9.365 1.996 0.861 589 1HG1 VAL 76 HG11 VAL 76 -7.488 2.020 -1.303 590 2HG1 VAL 76 HG12 VAL 76 -8.611 3.287 -0.818 591 3HG1 VAL 76 HG13 VAL 76 -9.117 2.061 -1.981 592 1HG2 VAL 76 HG21 VAL 76 -10.417 -0.242 0.293 593 2HG2 VAL 76 HG22 VAL 76 -9.873 0.001 -1.366 594 3HG2 VAL 76 HG23 VAL 76 -11.036 1.115 -0.648 595 H VAL 77 HN VAL 77 -5.456 1.032 0.068 596 HA VAL 77 HA VAL 77 -5.120 2.758 2.489 597 HB VAL 77 HB VAL 77 -2.917 1.430 2.778 598 1HG1 VAL 77 HG11 VAL 77 -4.545 1.075 4.436 599 2HG1 VAL 77 HG12 VAL 77 -4.236 -0.549 3.816 600 3HG1 VAL 77 HG13 VAL 77 -5.672 0.335 3.300 601 1HG2 VAL 77 HG21 VAL 77 -2.843 -0.779 1.789 602 2HG2 VAL 77 HG22 VAL 77 -3.136 0.371 0.487 603 3HG2 VAL 77 HG23 VAL 77 -4.469 -0.591 1.129 604 HA PRO 78 HA PRO 78 -2.520 5.158 -0.155 605 1HB PRO 78 HB2 PRO 78 -0.458 5.796 1.546 606 2HB PRO 78 HB1 PRO 78 -2.063 6.551 1.647 607 1HG PRO 78 HG2 PRO 78 -0.933 4.301 3.243 608 2HG PRO 78 HG1 PRO 78 -1.883 5.691 3.785 609 1HD PRO 78 HD2 PRO 78 -2.991 3.266 3.453 610 2HD PRO 78 HD1 PRO 78 -3.885 4.759 3.088 611 H ALA 79 HN ALA 79 -1.941 3.334 -1.515 612 HA ALA 79 HA ALA 79 0.426 1.733 -0.730 613 1HB ALA 79 HB1 ALA 79 -1.681 1.628 -2.894 614 2HB ALA 79 HB2 ALA 79 -1.474 0.530 -1.529 615 3HB ALA 79 HB3 ALA 79 -0.314 0.514 -2.859 616 H ILE 80 HN ILE 80 2.417 1.961 -1.693 617 HA ILE 80 HA ILE 80 2.705 4.006 -3.857 618 HB ILE 80 HB ILE 80 4.786 2.702 -2.071 619 1HG1 ILE 80 HG12 ILE 80 3.515 5.422 -1.677 620 2HG1 ILE 80 HG11 ILE 80 2.895 3.973 -0.881 621 1HG2 ILE 80 HG21 ILE 80 5.938 4.951 -2.647 622 2HG2 ILE 80 HG22 ILE 80 4.749 5.073 -3.943 623 3HG2 ILE 80 HG23 ILE 80 5.880 3.720 -3.910 624 1HD1 ILE 80 HD11 ILE 80 5.811 4.294 -0.651 625 2HD1 ILE 80 HD12 ILE 80 4.621 3.900 0.592 626 3HD1 ILE 80 HD13 ILE 80 4.890 5.580 0.127 627 H VAL 81 HN VAL 81 3.056 3.201 -5.892 628 HA VAL 81 HA VAL 81 3.763 0.327 -6.201 629 HB VAL 81 HB VAL 81 2.831 2.433 -8.172 630 1HG1 VAL 81 HG11 VAL 81 2.554 -0.534 -8.536 631 2HG1 VAL 81 HG12 VAL 81 4.106 0.227 -8.889 632 3HG1 VAL 81 HG13 VAL 81 2.658 0.735 -9.757 633 1HG2 VAL 81 HG21 VAL 81 1.455 1.001 -6.094 634 2HG2 VAL 81 HG22 VAL 81 0.891 0.410 -7.656 635 3HG2 VAL 81 HG23 VAL 81 0.787 2.129 -7.274 636 H VAL 82 HN VAL 82 5.492 -0.322 -7.588 637 HA VAL 82 HA VAL 82 7.509 1.820 -8.200 638 HB VAL 82 HB VAL 82 8.183 -1.010 -7.393 639 1HG1 VAL 82 HG11 VAL 82 10.250 0.058 -6.616 640 2HG1 VAL 82 HG12 VAL 82 9.596 1.649 -7.014 641 3HG1 VAL 82 HG13 VAL 82 9.947 0.493 -8.300 642 1HG2 VAL 82 HG21 VAL 82 7.087 1.173 -5.701 643 2HG2 VAL 82 HG22 VAL 82 8.515 0.353 -5.069 644 3HG2 VAL 82 HG23 VAL 82 7.060 -0.570 -5.442 645 H GLY 83 HN GLY 83 8.682 1.499 -10.173 646 1HA GLY 83 HA2 GLY 83 9.272 0.395 -12.205 647 2HA GLY 83 HA1 GLY 83 8.267 -0.966 -11.719 648 H ASP 84 HN ASP 84 7.124 2.381 -11.800 649 HA ASP 84 HA ASP 84 4.834 1.647 -13.412 650 1HB ASP 84 HB2 ASP 84 4.322 4.006 -13.245 651 2HB ASP 84 HB1 ASP 84 5.037 3.516 -11.709 652 H ARG 85 HN ARG 85 4.413 2.310 -15.610 653 HA ARG 85 HA ARG 85 6.771 2.252 -17.348 654 1HB ARG 85 HB2 ARG 85 3.769 2.338 -17.680 655 2HB ARG 85 HB1 ARG 85 4.849 2.412 -19.073 656 1HG ARG 85 HG2 ARG 85 5.769 0.272 -18.611 657 2HG ARG 85 HG1 ARG 85 5.105 0.252 -16.978 658 1HD ARG 85 HD2 ARG 85 2.818 0.092 -17.886 659 2HD ARG 85 HD1 ARG 85 3.465 0.155 -19.540 660 HE ARG 85 HE ARG 85 4.123 -2.095 -19.287 661 1HH1 ARG 85 HH11 ARG 85 3.616 -0.565 -16.227 662 2HH1 ARG 85 HH12 ARG 85 3.974 -1.991 -15.311 663 1HH2 ARG 85 HH21 ARG 85 4.597 -3.957 -18.095 664 2HH2 ARG 85 HH22 ARG 85 4.531 -3.905 -16.366 665 H ASP 86 HN ASP 86 3.954 4.394 -17.634 666 HA ASP 86 HA ASP 86 3.826 6.743 -17.907 667 1HB ASP 86 HB2 ASP 86 5.533 6.394 -15.921 668 2HB ASP 86 HB1 ASP 86 6.718 6.925 -17.115 669 H SER 87 HN SER 87 3.751 7.354 -20.013 670 HA SER 87 HA SER 87 6.245 7.113 -21.667 671 1HB SER 87 HB2 SER 87 3.300 6.785 -22.254 672 2HB SER 87 HB1 SER 87 4.476 7.006 -23.544 673 HG SER 87 HG SER 87 5.052 5.004 -23.281 674 H GLU 88 HN GLU 88 6.175 8.786 -23.555 675 HA GLU 88 HA GLU 88 6.363 11.400 -22.709 676 1HB GLU 88 HB2 GLU 88 6.152 11.972 -25.049 677 2HB GLU 88 HB1 GLU 88 6.885 10.372 -24.965 678 1HG GLU 88 HG2 GLU 88 4.335 9.599 -25.062 679 2HG GLU 88 HG1 GLU 88 4.150 11.158 -25.868 680 H ASP 89 HN ASP 89 3.391 9.610 -23.258 681 HA ASP 89 HA ASP 89 1.787 12.100 -22.843 682 1HB ASP 89 HB2 ASP 89 1.005 9.299 -23.727 683 2HB ASP 89 HB1 ASP 89 -0.054 10.711 -23.720 684 HA PRO 90 HA PRO 90 1.421 10.446 -18.683 685 1HB PRO 90 HB2 PRO 90 0.131 12.625 -17.649 686 2HB PRO 90 HB1 PRO 90 1.884 12.582 -17.921 687 1HG PRO 90 HG2 PRO 90 -0.258 13.853 -19.545 688 2HG PRO 90 HG1 PRO 90 1.389 14.413 -19.209 689 1HD PRO 90 HD2 PRO 90 0.610 13.237 -21.558 690 2HD PRO 90 HD1 PRO 90 2.277 13.236 -20.944 691 H ASP 91 HN ASP 91 -0.998 11.317 -20.942 692 HA ASP 91 HA ASP 91 -3.411 11.016 -19.472 693 1HB ASP 91 HB2 ASP 91 -2.663 10.347 -22.335 694 2HB ASP 91 HB1 ASP 91 -4.322 10.462 -21.747 695 H GLU 92 HN GLU 92 -1.050 8.621 -20.302 696 HA GLU 92 HA GLU 92 -2.782 6.311 -20.455 697 1HB GLU 92 HB2 GLU 92 0.140 6.730 -19.760 698 2HB GLU 92 HB1 GLU 92 -0.580 5.142 -20.031 699 1HG GLU 92 HG2 GLU 92 -1.138 7.150 -22.131 700 2HG GLU 92 HG1 GLU 92 0.546 6.641 -22.004 701 HA PRO 93 HA PRO 93 -3.500 6.142 -16.054 702 1HB PRO 93 HB2 PRO 93 -5.345 4.134 -16.139 703 2HB PRO 93 HB1 PRO 93 -5.724 5.806 -16.596 704 1HG PRO 93 HG2 PRO 93 -5.318 3.438 -18.304 705 2HG PRO 93 HG1 PRO 93 -6.276 4.894 -18.597 706 1HD PRO 93 HD2 PRO 93 -3.725 4.306 -19.647 707 2HD PRO 93 HD1 PRO 93 -4.587 5.857 -19.740 708 H ALA 94 HN ALA 94 -1.125 4.870 -16.962 709 HA ALA 94 HA ALA 94 -1.023 2.041 -16.558 710 1HB ALA 94 HB1 ALA 94 1.100 2.476 -17.191 711 2HB ALA 94 HB2 ALA 94 1.382 3.425 -15.733 712 3HB ALA 94 HB3 ALA 94 0.698 4.193 -17.165 713 H LYS 95 HN LYS 95 -0.851 4.743 -14.281 714 HA LYS 95 HA LYS 95 -0.171 2.927 -12.038 715 1HB LYS 95 HB2 LYS 95 0.137 5.018 -10.843 716 2HB LYS 95 HB1 LYS 95 0.856 5.198 -12.445 717 1HG LYS 95 HG2 LYS 95 -1.375 6.174 -13.199 718 2HG LYS 95 HG1 LYS 95 -1.818 6.243 -11.493 719 1HD LYS 95 HD2 LYS 95 -0.735 8.208 -11.350 720 2HD LYS 95 HD1 LYS 95 0.774 7.350 -11.664 721 1HE LYS 95 HE2 LYS 95 0.103 7.520 -14.172 722 2HE LYS 95 HE1 LYS 95 -1.017 8.781 -13.626 723 1HZ LYS 95 HZ1 LYS 95 1.303 9.284 -12.265 724 2HZ LYS 95 HZ2 LYS 95 0.731 10.140 -13.615 725 3HZ LYS 95 HZ3 LYS 95 1.836 8.867 -13.820 726 H GLU 96 HN GLU 96 -2.912 3.102 -13.532 727 HA GLU 96 HA GLU 96 -4.650 3.809 -11.212 728 1HB GLU 96 HB2 GLU 96 -4.999 4.828 -13.469 729 2HB GLU 96 HB1 GLU 96 -5.303 3.213 -14.111 730 1HG GLU 96 HG2 GLU 96 -7.120 2.997 -12.331 731 2HG GLU 96 HG1 GLU 96 -6.931 4.729 -12.067 732 H GLN 97 HN GLN 97 -4.445 1.293 -13.726 733 HA GLN 97 HA GLN 97 -6.229 -0.580 -12.590 734 1HB GLN 97 HB2 GLN 97 -5.233 -2.077 -14.166 735 2HB GLN 97 HB1 GLN 97 -5.063 -0.471 -14.878 736 1HG GLN 97 HG2 GLN 97 -2.765 -0.321 -13.957 737 2HG GLN 97 HG1 GLN 97 -2.936 -1.950 -13.301 738 1HE2 GLN 97 HE21 GLN 97 -0.955 -2.265 -14.826 739 2HE2 GLN 97 HE22 GLN 97 -1.289 -2.694 -16.433 740 H LEU 98 HN LEU 98 -2.889 0.117 -11.753 741 HA LEU 98 HA LEU 98 -2.216 -2.299 -10.420 742 1HB LEU 98 HB2 LEU 98 -1.356 0.585 -10.059 743 2HB LEU 98 HB1 LEU 98 -0.522 -0.787 -9.328 744 HG LEU 98 HG LEU 98 -0.869 -0.199 -12.279 745 1HD1 LEU 98 HD11 LEU 98 1.002 0.944 -11.230 746 2HD1 LEU 98 HD12 LEU 98 1.630 -0.387 -12.204 747 3HD1 LEU 98 HD13 LEU 98 1.521 -0.552 -10.452 748 1HD2 LEU 98 HD21 LEU 98 -0.313 -2.744 -10.822 749 2HD2 LEU 98 HD22 LEU 98 0.655 -2.415 -12.260 750 3HD2 LEU 98 HD23 LEU 98 -1.102 -2.495 -12.380 751 H TYR 99 HN TYR 99 -3.634 0.738 -9.174 752 HA TYR 99 HA TYR 99 -4.912 -0.813 -7.032 753 1HB TYR 99 HB2 TYR 99 -2.422 0.031 -6.520 754 2HB TYR 99 HB1 TYR 99 -3.272 1.528 -6.148 755 HD1 TYR 99 HD1 TYR 99 -5.875 -0.174 -5.339 756 HD2 TYR 99 HD2 TYR 99 -1.752 -0.162 -4.122 757 HE1 TYR 99 HE1 TYR 99 -6.520 -1.090 -3.131 758 HE2 TYR 99 HE2 TYR 99 -2.404 -1.079 -1.912 759 HH TYR 99 HH TYR 99 -5.777 -1.969 -1.220 760 H HIS 100 HN HIS 100 -5.271 1.771 -5.485 761 HA HIS 100 HA HIS 100 -7.512 2.784 -7.111 762 1HB HIS 100 HB2 HIS 100 -7.920 4.095 -4.975 763 2HB HIS 100 HB1 HIS 100 -7.895 2.346 -4.766 764 HD2 HIS 100 HD2 HIS 100 -5.811 1.392 -3.112 765 HE1 HIS 100 HE1 HIS 100 -3.964 5.140 -2.457 766 HE2 HIS 100 HE2 HIS 100 -3.987 2.705 -1.822 767 H SER 101 HN SER 101 -7.731 5.346 -6.939 768 HA SER 101 HA SER 101 -5.556 6.455 -8.477 769 1HB SER 101 HB2 SER 101 -8.186 6.965 -8.147 770 2HB SER 101 HB1 SER 101 -7.514 8.237 -7.131 771 HG SER 101 HG SER 101 -6.661 7.693 -9.786 772 H ALA 102 HN ALA 102 -6.008 6.230 -5.056 773 HA ALA 102 HA ALA 102 -4.400 8.624 -4.466 774 1HB ALA 102 HB1 ALA 102 -4.647 7.453 -2.099 775 2HB ALA 102 HB2 ALA 102 -5.872 6.511 -2.943 776 3HB ALA 102 HB3 ALA 102 -6.021 8.261 -2.852 777 H GLU 103 HN GLU 103 -3.837 5.202 -4.937 778 HA GLU 103 HA GLU 103 -1.556 4.656 -3.450 779 1HB GLU 103 HB2 GLU 103 -1.098 3.050 -5.195 780 2HB GLU 103 HB1 GLU 103 -2.852 3.215 -5.083 781 1HG GLU 103 HG2 GLU 103 -2.796 4.840 -6.958 782 2HG GLU 103 HG1 GLU 103 -1.053 4.604 -7.091 783 H LEU 104 HN LEU 104 0.584 5.322 -3.517 784 HA LEU 104 HA LEU 104 1.252 7.609 -5.256 785 1HB LEU 104 HB2 LEU 104 1.886 6.702 -2.668 786 2HB LEU 104 HB1 LEU 104 3.386 6.569 -3.583 787 HG LEU 104 HG LEU 104 3.128 8.906 -4.342 788 1HD1 LEU 104 HD11 LEU 104 1.199 9.864 -2.493 789 2HD1 LEU 104 HD12 LEU 104 0.465 8.493 -3.325 790 3HD1 LEU 104 HD13 LEU 104 1.090 9.857 -4.252 791 1HD2 LEU 104 HD21 LEU 104 3.873 8.013 -1.810 792 2HD2 LEU 104 HD22 LEU 104 2.788 9.359 -1.471 793 3HD2 LEU 104 HD23 LEU 104 4.212 9.609 -2.482 794 H HIS 105 HN HIS 105 3.376 7.568 -6.444 795 HA HIS 105 HA HIS 105 4.037 4.808 -7.423 796 1HB HIS 105 HB2 HIS 105 4.157 7.292 -9.129 797 2HB HIS 105 HB1 HIS 105 3.976 5.613 -9.636 798 HD1 HIS 105 HD1 HIS 105 2.027 8.574 -9.314 799 HD2 HIS 105 HD2 HIS 105 1.314 4.556 -8.459 800 HE1 HIS 105 HE1 HIS 105 -0.489 8.303 -9.186 801 H LEU 106 HN LEU 106 6.209 4.348 -7.513 802 HA LEU 106 HA LEU 106 8.144 6.605 -7.174 803 1HB LEU 106 HB2 LEU 106 7.615 5.307 -5.069 804 2HB LEU 106 HB1 LEU 106 8.275 3.878 -5.862 805 HG LEU 106 HG LEU 106 10.453 4.858 -6.020 806 1HD1 LEU 106 HD11 LEU 106 10.874 7.195 -5.227 807 2HD1 LEU 106 HD12 LEU 106 9.134 7.413 -5.044 808 3HD1 LEU 106 HD13 LEU 106 9.826 7.138 -6.644 809 1HD2 LEU 106 HD21 LEU 106 11.015 5.152 -3.700 810 2HD2 LEU 106 HD22 LEU 106 9.673 4.008 -3.759 811 3HD2 LEU 106 HD23 LEU 106 9.380 5.690 -3.314 812 H GLY 107 HN GLY 107 9.953 6.441 -8.502 813 1HA GLY 107 HA2 GLY 107 9.915 4.523 -10.659 814 2HA GLY 107 HA1 GLY 107 11.227 5.654 -10.318 815 H ILE 108 HN ILE 108 11.412 2.781 -11.025 816 HA ILE 108 HA ILE 108 11.973 1.078 -8.855 817 HB ILE 108 HB ILE 108 13.119 1.433 -11.635 818 1HG1 ILE 108 HG12 ILE 108 11.157 -0.609 -10.578 819 2HG1 ILE 108 HG11 ILE 108 10.661 0.932 -11.273 820 1HG2 ILE 108 HG21 ILE 108 13.664 -0.578 -9.502 821 2HG2 ILE 108 HG22 ILE 108 14.750 0.091 -10.723 822 3HG2 ILE 108 HG23 ILE 108 13.565 -1.136 -11.171 823 1HD1 ILE 108 HD11 ILE 108 11.259 -1.445 -12.674 824 2HD1 ILE 108 HD12 ILE 108 12.606 -0.351 -12.989 825 3HD1 ILE 108 HD13 ILE 108 10.956 0.148 -13.368 826 H HIS 109 HN HIS 109 13.995 3.461 -10.527 827 HA HIS 109 HA HIS 109 16.319 2.882 -8.808 828 1HB HIS 109 HB2 HIS 109 17.323 4.641 -10.276 829 2HB HIS 109 HB1 HIS 109 16.568 3.341 -11.197 830 HD1 HIS 109 HD1 HIS 109 15.940 6.899 -10.071 831 HD2 HIS 109 HD2 HIS 109 14.381 4.140 -12.779 832 HE1 HIS 109 HE1 HIS 109 14.276 8.165 -11.498 833 H GLN 110 HN GLN 110 13.532 4.447 -8.218 834 HA GLN 110 HA GLN 110 14.779 6.802 -6.865 835 1HB GLN 110 HB2 GLN 110 11.871 6.126 -7.413 836 2HB GLN 110 HB1 GLN 110 12.501 7.684 -6.879 837 1HG GLN 110 HG2 GLN 110 13.919 7.666 -9.019 838 2HG GLN 110 HG1 GLN 110 12.894 6.331 -9.550 839 1HE2 GLN 110 HE21 GLN 110 13.156 9.485 -10.126 840 2HE2 GLN 110 HE22 GLN 110 11.525 9.943 -10.219 841 H LEU 111 HN LEU 111 14.705 3.870 -5.928 842 HA LEU 111 HA LEU 111 12.850 3.713 -3.731 843 1HB LEU 111 HB2 LEU 111 15.410 2.319 -4.538 844 2HB LEU 111 HB1 LEU 111 14.603 1.908 -3.029 845 HG LEU 111 HG LEU 111 14.027 0.908 -5.619 846 1HD1 LEU 111 HD11 LEU 111 13.145 -0.699 -4.318 847 2HD1 LEU 111 HD12 LEU 111 11.948 0.412 -3.652 848 3HD1 LEU 111 HD13 LEU 111 13.555 0.309 -2.929 849 1HD2 LEU 111 HD21 LEU 111 12.607 2.979 -5.915 850 2HD2 LEU 111 HD22 LEU 111 11.664 2.468 -4.518 851 3HD2 LEU 111 HD23 LEU 111 11.691 1.475 -5.975 852 H GLU 112 HN GLU 112 12.920 5.414 -2.410 853 HA GLU 112 HA GLU 112 14.691 5.656 -0.245 854 1HB GLU 112 HB2 GLU 112 15.925 7.772 -1.133 855 2HB GLU 112 HB1 GLU 112 16.487 6.204 -1.712 856 1HG GLU 112 HG2 GLU 112 15.451 6.466 -3.804 857 2HG GLU 112 HG1 GLU 112 14.361 7.716 -3.209 858 H GLN 113 HN GLN 113 12.600 7.171 -2.597 859 HA GLN 113 HA GLN 113 11.825 9.452 -0.907 860 1HB GLN 113 HB2 GLN 113 10.913 8.211 -3.509 861 2HB GLN 113 HB1 GLN 113 10.065 9.578 -2.788 862 1HG GLN 113 HG2 GLN 113 12.183 10.863 -2.768 863 2HG GLN 113 HG1 GLN 113 12.997 9.502 -3.539 864 1HE2 GLN 113 HE21 GLN 113 13.010 9.525 -5.793 865 2HE2 GLN 113 HE22 GLN 113 11.955 10.445 -6.762 866 H LEU 114 HN LEU 114 11.107 6.155 -0.921 867 HA LEU 114 HA LEU 114 8.377 5.844 -0.557 868 1HB LEU 114 HB2 LEU 114 10.801 4.605 0.730 869 2HB LEU 114 HB1 LEU 114 9.178 4.008 1.076 870 HG LEU 114 HG LEU 114 9.502 4.400 -1.762 871 1HD1 LEU 114 HD11 LEU 114 11.505 2.570 -0.410 872 2HD1 LEU 114 HD12 LEU 114 11.887 4.017 -1.344 873 3HD1 LEU 114 HD13 LEU 114 11.181 2.614 -2.142 874 1HD2 LEU 114 HD21 LEU 114 7.901 2.922 -0.370 875 2HD2 LEU 114 HD22 LEU 114 9.241 1.779 -0.292 876 3HD2 LEU 114 HD23 LEU 114 8.560 2.231 -1.854 877 HA PRO 115 HA PRO 115 8.710 6.943 4.100 878 1HB PRO 115 HB2 PRO 115 10.721 8.670 4.828 879 2HB PRO 115 HB1 PRO 115 10.875 6.901 4.918 880 1HG PRO 115 HG2 PRO 115 11.847 8.774 2.802 881 2HG PRO 115 HG1 PRO 115 12.664 7.377 3.529 882 1HD PRO 115 HD2 PRO 115 11.490 7.243 1.115 883 2HD PRO 115 HD1 PRO 115 11.510 5.857 2.220 884 H TYR 116 HN TYR 116 10.150 9.511 2.065 885 HA TYR 116 HA TYR 116 8.361 11.567 3.037 886 1HB TYR 116 HB2 TYR 116 9.991 12.714 1.950 887 2HB TYR 116 HB1 TYR 116 10.612 11.209 1.280 888 HD1 TYR 116 HD1 TYR 116 8.391 14.092 0.697 889 HD2 TYR 116 HD2 TYR 116 10.022 10.481 -0.956 890 HE1 TYR 116 HE1 TYR 116 7.605 14.765 -1.556 891 HE2 TYR 116 HE2 TYR 116 9.242 11.155 -3.209 892 HH TYR 116 HH TYR 116 7.939 12.601 -4.340 893 H GLN 117 HN GLN 117 8.238 9.057 0.635 894 HA GLN 117 HA GLN 117 5.920 10.032 -0.838 895 1HB GLN 117 HB2 GLN 117 7.519 7.497 -0.575 896 2HB GLN 117 HB1 GLN 117 5.983 7.463 -1.442 897 1HG GLN 117 HG2 GLN 117 8.040 9.570 -2.079 898 2HG GLN 117 HG1 GLN 117 8.159 7.960 -2.795 899 1HE2 GLN 117 HE21 GLN 117 7.069 10.939 -3.588 900 2HE2 GLN 117 HE22 GLN 117 5.729 10.533 -4.551 901 H VAL 118 HN VAL 118 6.532 7.796 1.821 902 HA VAL 118 HA VAL 118 3.911 6.751 2.167 903 HB VAL 118 HB VAL 118 6.349 7.206 3.871 904 1HG1 VAL 118 HG11 VAL 118 3.609 6.755 4.840 905 2HG1 VAL 118 HG12 VAL 118 5.050 7.244 5.733 906 3HG1 VAL 118 HG13 VAL 118 4.760 5.539 5.396 907 1HG2 VAL 118 HG21 VAL 118 5.839 5.313 2.087 908 2HG2 VAL 118 HG22 VAL 118 4.936 4.599 3.422 909 3HG2 VAL 118 HG23 VAL 118 6.659 4.919 3.598 910 H ASP 119 HN ASP 119 5.466 9.580 3.792 911 HA ASP 119 HA ASP 119 3.148 10.369 5.272 912 1HB ASP 119 HB2 ASP 119 5.423 11.979 4.059 913 2HB ASP 119 HB1 ASP 119 4.346 12.559 5.327 914 H ALA 120 HN ALA 120 4.299 11.150 2.015 915 HA ALA 120 HA ALA 120 2.205 13.009 1.327 916 1HB ALA 120 HB1 ALA 120 3.687 11.193 -0.575 917 2HB ALA 120 HB2 ALA 120 4.537 12.480 0.280 918 3HB ALA 120 HB3 ALA 120 3.212 12.874 -0.814 919 H ALA 121 HN ALA 121 2.677 9.514 0.794 920 HA ALA 121 HA ALA 121 0.265 9.017 -0.656 921 1HB ALA 121 HB1 ALA 121 0.754 6.693 -0.079 922 2HB ALA 121 HB2 ALA 121 1.792 7.213 1.251 923 3HB ALA 121 HB3 ALA 121 2.273 7.528 -0.414 924 H LEU 122 HN LEU 122 0.932 9.357 2.793 925 HA LEU 122 HA LEU 122 -1.550 8.250 3.766 926 1HB LEU 122 HB2 LEU 122 0.417 10.317 4.807 927 2HB LEU 122 HB1 LEU 122 -0.935 9.709 5.764 928 HG LEU 122 HG LEU 122 1.028 7.812 4.489 929 1HD1 LEU 122 HD11 LEU 122 1.543 8.204 7.286 930 2HD1 LEU 122 HD12 LEU 122 1.637 9.763 6.466 931 3HD1 LEU 122 HD13 LEU 122 2.649 8.423 5.929 932 1HD2 LEU 122 HD21 LEU 122 -1.068 7.751 6.640 933 2HD2 LEU 122 HD22 LEU 122 0.279 6.615 6.720 934 3HD2 LEU 122 HD23 LEU 122 -0.797 6.612 5.322 935 H ALA 123 HN ALA 123 -0.497 11.644 3.475 936 HA ALA 123 HA ALA 123 -3.057 12.830 3.822 937 1HB ALA 123 HB1 ALA 123 -1.871 14.767 3.322 938 2HB ALA 123 HB2 ALA 123 -1.026 14.011 1.973 939 3HB ALA 123 HB3 ALA 123 -0.514 13.681 3.628 940 H GLU 124 HN GLU 124 -1.292 11.813 0.895 941 HA GLU 124 HA GLU 124 -3.177 12.719 -1.040 942 1HB GLU 124 HB2 GLU 124 -0.817 11.942 -1.390 943 2HB GLU 124 HB1 GLU 124 -1.365 10.289 -1.106 944 1HG GLU 124 HG2 GLU 124 -1.625 10.305 -3.385 945 2HG GLU 124 HG1 GLU 124 -3.175 11.037 -2.962 946 H PHE 125 HN PHE 125 -3.082 9.795 0.964 947 HA PHE 125 HA PHE 125 -5.359 8.620 -0.533 948 1HB PHE 125 HB2 PHE 125 -3.489 7.205 0.130 949 2HB PHE 125 HB1 PHE 125 -3.676 7.699 1.814 950 HD1 PHE 125 HD1 PHE 125 -5.546 6.896 3.174 951 HD2 PHE 125 HD2 PHE 125 -5.106 5.708 -0.935 952 HE1 PHE 125 HE1 PHE 125 -7.225 5.098 3.514 953 HE2 PHE 125 HE2 PHE 125 -6.781 3.909 -0.597 954 HZ PHE 125 HZ PHE 125 -7.840 3.606 1.626 955 H LEU 126 HN LEU 126 -4.643 9.863 2.750 956 HA LEU 126 HA LEU 126 -7.129 9.220 3.962 957 1HB LEU 126 HB2 LEU 126 -5.174 11.515 4.312 958 2HB LEU 126 HB1 LEU 126 -6.486 11.175 5.445 959 HG LEU 126 HG LEU 126 -4.329 9.198 4.656 960 1HD1 LEU 126 HD11 LEU 126 -4.142 9.717 7.376 961 2HD1 LEU 126 HD12 LEU 126 -4.444 11.310 6.681 962 3HD1 LEU 126 HD13 LEU 126 -3.064 10.353 6.134 963 1HD2 LEU 126 HD21 LEU 126 -5.561 8.435 7.042 964 2HD2 LEU 126 HD22 LEU 126 -5.826 7.708 5.457 965 3HD2 LEU 126 HD23 LEU 126 -6.893 8.991 6.028 966 H ARG 127 HN ARG 127 -6.175 12.002 1.987 967 HA ARG 127 HA ARG 127 -8.759 13.341 2.239 968 1HB ARG 127 HB2 ARG 127 -6.383 14.289 1.793 969 2HB ARG 127 HB1 ARG 127 -6.653 13.790 0.122 970 1HG ARG 127 HG2 ARG 127 -8.615 15.182 -0.055 971 2HG ARG 127 HG1 ARG 127 -8.563 15.561 1.669 972 1HD ARG 127 HD2 ARG 127 -7.598 17.438 0.476 973 2HD ARG 127 HD1 ARG 127 -6.265 16.567 1.261 974 HE ARG 127 HE ARG 127 -6.958 15.699 -1.477 975 1HH1 ARG 127 HH11 ARG 127 -4.924 17.562 0.625 976 2HH1 ARG 127 HH12 ARG 127 -3.621 17.637 -0.509 977 1HH2 ARG 127 HH21 ARG 127 -5.269 15.815 -2.951 978 2HH2 ARG 127 HH22 ARG 127 -3.819 16.662 -2.533 979 H LEU 128 HN LEU 128 -7.213 11.158 -0.090 980 HA LEU 128 HA LEU 128 -9.311 11.435 -2.108 981 1HB LEU 128 HB2 LEU 128 -6.755 10.035 -1.682 982 2HB LEU 128 HB1 LEU 128 -7.902 9.172 -2.695 983 HG LEU 128 HG LEU 128 -8.149 11.118 -4.144 984 1HD1 LEU 128 HD11 LEU 128 -7.152 13.190 -3.729 985 2HD1 LEU 128 HD12 LEU 128 -5.939 12.503 -2.647 986 3HD1 LEU 128 HD13 LEU 128 -7.609 12.680 -2.104 987 1HD2 LEU 128 HD21 LEU 128 -5.459 9.954 -3.568 988 2HD2 LEU 128 HD22 LEU 128 -5.528 11.329 -4.672 989 3HD2 LEU 128 HD23 LEU 128 -6.430 9.860 -5.037 990 H ALA 129 HN ALA 129 -8.687 9.319 0.626 991 HA ALA 129 HA ALA 129 -10.408 7.149 -0.099 992 1HB ALA 129 HB1 ALA 129 -8.902 8.156 2.159 993 2HB ALA 129 HB2 ALA 129 -9.335 6.490 1.773 994 3HB ALA 129 HB3 ALA 129 -10.448 7.499 2.697 995 HA PRO 130 HA PRO 130 -11.930 5.863 0.258 996 1HB PRO 130 HB2 PRO 130 -14.173 5.428 -1.243 997 2HB PRO 130 HB1 PRO 130 -14.154 5.262 0.523 998 1HG PRO 130 HG2 PRO 130 -15.114 7.532 -1.152 999 2HG PRO 130 HG1 PRO 130 -15.829 6.823 0.305 1000 1HD PRO 130 HD2 PRO 130 -14.414 9.128 0.347 1001 2HD PRO 130 HD1 PRO 130 -14.460 7.995 1.717 1002 H VAL 131 HN VAL 131 -11.181 5.040 -1.792 1003 HA VAL 131 HA VAL 131 -11.059 7.083 -3.992 1004 HB VAL 131 HB VAL 131 -8.912 5.766 -4.514 1005 1HG1 VAL 131 HG11 VAL 131 -9.407 7.885 -2.807 1006 2HG1 VAL 131 HG12 VAL 131 -7.803 7.335 -3.299 1007 3HG1 VAL 131 HG13 VAL 131 -8.502 6.769 -1.782 1008 1HG2 VAL 131 HG21 VAL 131 -9.006 4.860 -1.674 1009 2HG2 VAL 131 HG22 VAL 131 -8.154 4.151 -3.048 1010 3HG2 VAL 131 HG23 VAL 131 -9.890 3.900 -2.861 1011 H GLU 132 HN GLU 132 -10.930 6.113 -6.228 1012 HA GLU 132 HA GLU 132 -12.984 4.107 -6.642 1013 1HB GLU 132 HB2 GLU 132 -10.897 5.343 -8.469 1014 2HB GLU 132 HB1 GLU 132 -12.262 4.382 -9.024 1015 1HG GLU 132 HG2 GLU 132 -13.835 6.005 -8.135 1016 2HG GLU 132 HG1 GLU 132 -12.523 6.928 -7.399 1017 H THR 133 HN THR 133 -12.318 2.117 -5.692 1018 HA THR 133 HA THR 133 -9.719 0.969 -6.586 1019 HB THR 133 HB THR 133 -10.719 -0.828 -4.855 1020 HG1 THR 133 HG1 THR 133 -12.027 0.184 -3.378 1021 1HG2 THR 133 HG21 THR 133 -8.643 0.644 -4.718 1022 2HG2 THR 133 HG22 THR 133 -9.401 0.252 -3.172 1023 3HG2 THR 133 HG23 THR 133 -9.652 1.838 -3.901 1024 H MET 134 HN MET 134 -11.206 1.005 -8.790 1025 HA MET 134 HA MET 134 -13.194 -0.988 -9.205 1026 1HB MET 134 HB2 MET 134 -11.050 0.087 -11.075 1027 2HB MET 134 HB1 MET 134 -12.534 -0.719 -11.583 1028 1HG MET 134 HG2 MET 134 -13.853 1.061 -10.435 1029 2HG MET 134 HG1 MET 134 -12.344 1.896 -10.058 1030 1HE MET 134 HE1 MET 134 -14.680 1.386 -13.821 1031 2HE MET 134 HE2 MET 134 -14.539 0.297 -12.445 1032 3HE MET 134 HE3 MET 134 -13.423 0.142 -13.801 1033 H ALA 135 HN ALA 135 -9.704 -1.211 -8.960 1034 HA ALA 135 HA ALA 135 -8.272 -3.079 -8.891 1035 1HB ALA 135 HB1 ALA 135 -9.478 -4.199 -7.288 1036 2HB ALA 135 HB2 ALA 135 -9.847 -5.283 -8.627 1037 3HB ALA 135 HB3 ALA 135 -10.995 -4.027 -8.168 Start of MODEL 4 1 1H MET 1 HT1 MET 1 3.594 8.869 20.926 2 2H MET 1 HT2 MET 1 4.473 8.654 22.362 3 3H MET 1 HT3 MET 1 3.003 9.504 22.382 4 HA MET 1 HA MET 1 3.337 6.833 22.917 5 1HB MET 1 HB2 MET 1 0.981 8.587 22.171 6 2HB MET 1 HB1 MET 1 0.801 6.976 22.866 7 1HG MET 1 HG2 MET 1 2.231 7.727 24.795 8 2HG MET 1 HG1 MET 1 2.180 9.360 24.129 9 1HE MET 1 HE1 MET 1 0.496 10.515 26.481 10 2HE MET 1 HE2 MET 1 1.717 9.251 26.615 11 3HE MET 1 HE3 MET 1 0.138 9.026 27.365 12 H LEU 2 HN LEU 2 2.192 8.314 19.870 13 HA LEU 2 HA LEU 2 1.129 6.124 18.514 14 1HB LEU 2 HB2 LEU 2 1.809 8.660 17.892 15 2HB LEU 2 HB1 LEU 2 3.125 7.818 17.078 16 HG LEU 2 HG LEU 2 0.487 6.592 16.635 17 1HD1 LEU 2 HD11 LEU 2 -0.052 8.421 14.904 18 2HD1 LEU 2 HD12 LEU 2 1.062 9.443 15.811 19 3HD1 LEU 2 HD13 LEU 2 -0.383 8.805 16.595 20 1HD2 LEU 2 HD21 LEU 2 2.516 7.657 14.655 21 2HD2 LEU 2 HD22 LEU 2 1.339 6.368 14.407 22 3HD2 LEU 2 HD23 LEU 2 2.717 6.110 15.477 23 H SER 3 HN SER 3 2.048 4.079 18.719 24 HA SER 3 HA SER 3 4.716 3.361 19.102 25 1HB SER 3 HB2 SER 3 2.399 2.092 17.651 26 2HB SER 3 HB1 SER 3 3.942 1.256 17.795 27 HG SER 3 HG SER 3 3.585 0.958 19.854 28 H GLN 4 HN GLN 4 3.440 2.488 15.950 29 HA GLN 4 HA GLN 4 5.470 4.138 14.548 30 1HB GLN 4 HB2 GLN 4 5.370 1.104 14.487 31 2HB GLN 4 HB1 GLN 4 6.452 2.110 13.524 32 1HG GLN 4 HG2 GLN 4 7.356 3.068 15.666 33 2HG GLN 4 HG1 GLN 4 6.385 1.888 16.545 34 1HE2 GLN 4 HE21 GLN 4 9.359 2.038 16.448 35 2HE2 GLN 4 HE22 GLN 4 9.880 0.555 15.806 36 H ILE 5 HN ILE 5 5.258 3.784 12.116 37 HA ILE 5 HA ILE 5 2.425 3.816 11.348 38 HB ILE 5 HB ILE 5 5.026 4.011 9.792 39 1HG1 ILE 5 HG12 ILE 5 3.156 6.194 10.767 40 2HG1 ILE 5 HG11 ILE 5 4.660 5.747 11.573 41 1HG2 ILE 5 HG21 ILE 5 2.472 3.579 8.825 42 2HG2 ILE 5 HG22 ILE 5 3.801 4.293 7.914 43 3HG2 ILE 5 HG23 ILE 5 2.637 5.334 8.735 44 1HD1 ILE 5 HD11 ILE 5 4.703 7.716 9.866 45 2HD1 ILE 5 HD12 ILE 5 4.657 6.444 8.646 46 3HD1 ILE 5 HD13 ILE 5 5.991 6.514 9.796 47 H ALA 6 HN ALA 6 1.339 2.060 10.407 48 HA ALA 6 HA ALA 6 2.857 -0.463 10.186 49 1HB ALA 6 HB1 ALA 6 0.850 -1.389 10.664 50 2HB ALA 6 HB2 ALA 6 0.011 -0.401 9.468 51 3HB ALA 6 HB3 ALA 6 0.360 0.255 11.068 52 H ILE 7 HN ILE 7 3.883 -0.771 8.298 53 HA ILE 7 HA ILE 7 2.450 -0.023 5.779 54 HB ILE 7 HB ILE 7 5.402 -0.170 6.425 55 1HG1 ILE 7 HG12 ILE 7 3.543 2.169 5.911 56 2HG1 ILE 7 HG11 ILE 7 4.275 1.749 7.458 57 1HG2 ILE 7 HG21 ILE 7 4.011 0.761 3.900 58 2HG2 ILE 7 HG22 ILE 7 4.863 -0.773 4.074 59 3HG2 ILE 7 HG23 ILE 7 5.749 0.748 4.185 60 1HD1 ILE 7 HD11 ILE 7 6.473 1.871 5.804 61 2HD1 ILE 7 HD12 ILE 7 5.919 3.177 6.850 62 3HD1 ILE 7 HD13 ILE 7 5.446 3.151 5.152 63 H CYS 8 HN CYS 8 1.954 -1.699 4.483 64 HA CYS 8 HA CYS 8 3.120 -4.391 5.059 65 1HB CYS 8 HB2 CYS 8 0.725 -4.242 5.215 66 2HB CYS 8 HB1 CYS 8 0.620 -3.333 3.709 67 HG CYS 8 HG CYS 8 0.169 -6.087 3.578 68 H ILE 9 HN ILE 9 4.903 -4.721 3.730 69 HA ILE 9 HA ILE 9 4.760 -3.690 0.929 70 HB ILE 9 HB ILE 9 6.626 -2.967 2.369 71 1HG1 ILE 9 HG12 ILE 9 7.136 -4.770 0.010 72 2HG1 ILE 9 HG11 ILE 9 7.317 -3.022 0.123 73 1HG2 ILE 9 HG21 ILE 9 7.777 -4.410 3.700 74 2HG2 ILE 9 HG22 ILE 9 7.909 -5.618 2.421 75 3HG2 ILE 9 HG23 ILE 9 6.449 -5.527 3.398 76 1HD1 ILE 9 HD11 ILE 9 9.123 -3.885 1.997 77 2HD1 ILE 9 HD12 ILE 9 9.526 -3.462 0.333 78 3HD1 ILE 9 HD13 ILE 9 9.241 -5.146 0.771 79 H TRP 10 HN TRP 10 4.909 -5.051 -0.811 80 HA TRP 10 HA TRP 10 5.213 -7.990 -0.245 81 1HB TRP 10 HB2 TRP 10 2.981 -7.479 -1.037 82 2HB TRP 10 HB1 TRP 10 3.623 -6.456 -2.323 83 HD1 TRP 10 HD1 TRP 10 5.540 -9.604 -1.736 84 HE1 TRP 10 HE1 TRP 10 5.099 -11.285 -3.640 85 HE3 TRP 10 HE3 TRP 10 1.630 -7.291 -4.074 86 HZ2 TRP 10 HZ2 TRP 10 3.328 -11.608 -5.862 87 HZ3 TRP 10 HZ3 TRP 10 0.591 -8.310 -6.082 88 HH2 TRP 10 HH2 TRP 10 1.435 -10.462 -6.977 89 H VAL 11 HN VAL 11 7.322 -8.465 -0.802 90 HA VAL 11 HA VAL 11 8.246 -7.593 -3.513 91 HB VAL 11 HB VAL 11 9.621 -7.336 -0.827 92 1HG1 VAL 11 HG11 VAL 11 11.415 -8.055 -2.113 93 2HG1 VAL 11 HG12 VAL 11 11.458 -6.323 -2.448 94 3HG1 VAL 11 HG13 VAL 11 10.726 -7.430 -3.611 95 1HG2 VAL 11 HG21 VAL 11 9.514 -5.023 -1.208 96 2HG2 VAL 11 HG22 VAL 11 7.978 -5.581 -1.867 97 3HG2 VAL 11 HG23 VAL 11 9.322 -5.224 -2.950 98 H GLU 12 HN GLU 12 9.563 -9.148 -4.555 99 HA GLU 12 HA GLU 12 9.789 -11.774 -3.150 100 1HB GLU 12 HB2 GLU 12 9.480 -10.828 -5.975 101 2HB GLU 12 HB1 GLU 12 10.280 -12.376 -5.698 102 1HG GLU 12 HG2 GLU 12 8.184 -12.725 -4.067 103 2HG GLU 12 HG1 GLU 12 7.446 -11.592 -5.202 104 H SER 13 HN SER 13 11.622 -9.105 -3.695 105 HA SER 13 HA SER 13 14.167 -10.682 -3.898 106 1HB SER 13 HB2 SER 13 13.630 -9.400 -5.944 107 2HB SER 13 HB1 SER 13 13.436 -7.941 -4.986 108 HG SER 13 HG SER 13 15.513 -8.081 -5.920 109 H THR 14 HN THR 14 15.136 -10.545 -1.875 110 HA THR 14 HA THR 14 14.456 -8.818 0.228 111 HB THR 14 HB THR 14 17.291 -9.703 -0.232 112 HG1 THR 14 HG1 THR 14 16.585 -11.812 0.345 113 1HG2 THR 14 HG21 THR 14 15.686 -10.322 2.200 114 2HG2 THR 14 HG22 THR 14 16.116 -8.635 1.925 115 3HG2 THR 14 HG23 THR 14 17.382 -9.856 2.061 116 H ALA 15 HN ALA 15 17.006 -8.336 -2.250 117 HA ALA 15 HA ALA 15 18.092 -5.916 -1.269 118 1HB ALA 15 HB1 ALA 15 17.642 -6.322 -4.204 119 2HB ALA 15 HB2 ALA 15 18.584 -7.533 -3.334 120 3HB ALA 15 HB3 ALA 15 19.115 -5.851 -3.358 121 H ILE 16 HN ILE 16 15.342 -6.399 -3.515 122 HA ILE 16 HA ILE 16 14.671 -3.586 -3.718 123 HB ILE 16 HB ILE 16 13.344 -6.235 -4.288 124 1HG1 ILE 16 HG12 ILE 16 13.774 -3.987 -6.232 125 2HG1 ILE 16 HG11 ILE 16 15.159 -4.954 -5.724 126 1HG2 ILE 16 HG21 ILE 16 12.095 -3.509 -4.714 127 2HG2 ILE 16 HG22 ILE 16 11.582 -4.679 -3.496 128 3HG2 ILE 16 HG23 ILE 16 11.412 -5.057 -5.210 129 1HD1 ILE 16 HD11 ILE 16 12.890 -6.650 -6.357 130 2HD1 ILE 16 HD12 ILE 16 14.520 -6.679 -7.029 131 3HD1 ILE 16 HD13 ILE 16 13.299 -5.611 -7.723 132 H LEU 17 HN LEU 17 13.534 -6.284 -1.694 133 HA LEU 17 HA LEU 17 11.483 -4.866 -0.276 134 1HB LEU 17 HB2 LEU 17 11.460 -7.209 -0.113 135 2HB LEU 17 HB1 LEU 17 13.202 -7.305 0.122 136 HG LEU 17 HG LEU 17 11.663 -7.765 2.161 137 1HD1 LEU 17 HD11 LEU 17 13.656 -7.576 3.166 138 2HD1 LEU 17 HD12 LEU 17 13.407 -5.836 3.297 139 3HD1 LEU 17 HD13 LEU 17 14.225 -6.504 1.886 140 1HD2 LEU 17 HD21 LEU 17 11.638 -5.140 3.161 141 2HD2 LEU 17 HD22 LEU 17 10.240 -6.110 2.713 142 3HD2 LEU 17 HD23 LEU 17 10.968 -5.018 1.544 143 H GLN 18 HN GLN 18 14.963 -5.180 0.138 144 HA GLN 18 HA GLN 18 15.123 -3.938 2.750 145 1HB GLN 18 HB2 GLN 18 17.037 -4.522 0.480 146 2HB GLN 18 HB1 GLN 18 17.572 -3.693 1.943 147 1HG GLN 18 HG2 GLN 18 16.879 -5.559 3.326 148 2HG GLN 18 HG1 GLN 18 16.146 -6.367 1.943 149 1HE2 GLN 18 HE21 GLN 18 19.046 -6.082 3.749 150 2HE2 GLN 18 HE22 GLN 18 20.074 -6.881 2.662 151 H ASP 19 HN ASP 19 15.438 -2.730 -0.589 152 HA ASP 19 HA ASP 19 16.236 -0.060 0.030 153 1HB ASP 19 HB2 ASP 19 14.607 -1.284 -2.219 154 2HB ASP 19 HB1 ASP 19 15.253 0.354 -2.257 155 H CYS 20 HN CYS 20 13.008 -1.534 -0.342 156 HA CYS 20 HA CYS 20 11.452 0.841 -0.020 157 1HB CYS 20 HB2 CYS 20 10.907 -2.050 0.741 158 2HB CYS 20 HB1 CYS 20 9.675 -0.805 0.544 159 HG CYS 20 HG CYS 20 9.824 -1.041 -1.926 160 H GLN 21 HN GLN 21 12.746 -1.491 2.347 161 HA GLN 21 HA GLN 21 11.496 -0.221 4.641 162 1HB GLN 21 HB2 GLN 21 13.740 -2.199 4.237 163 2HB GLN 21 HB1 GLN 21 13.130 -1.736 5.830 164 1HG GLN 21 HG2 GLN 21 10.861 -2.416 5.159 165 2HG GLN 21 HG1 GLN 21 11.479 -2.904 3.580 166 1HE2 GLN 21 HE21 GLN 21 10.272 -4.849 5.041 167 2HE2 GLN 21 HE22 GLN 21 11.415 -5.928 5.677 168 H ARG 22 HN ARG 22 14.746 -0.182 3.189 169 HA ARG 22 HA ARG 22 16.229 1.299 5.018 170 1HB ARG 22 HB2 ARG 22 16.017 1.208 2.018 171 2HB ARG 22 HB1 ARG 22 17.202 2.261 2.789 172 1HG ARG 22 HG2 ARG 22 18.311 0.427 3.830 173 2HG ARG 22 HG1 ARG 22 16.975 -0.673 3.481 174 1HD ARG 22 HD2 ARG 22 17.775 -1.128 1.404 175 2HD ARG 22 HD1 ARG 22 18.061 0.591 1.062 176 HE ARG 22 HE ARG 22 20.289 0.292 1.781 177 1HH1 ARG 22 HH11 ARG 22 18.210 -2.194 2.977 178 2HH1 ARG 22 HH12 ARG 22 19.498 -3.101 3.696 179 1HH2 ARG 22 HH21 ARG 22 21.972 -0.886 2.715 180 2HH2 ARG 22 HH22 ARG 22 21.623 -2.362 3.548 181 H ALA 23 HN ALA 23 14.275 2.656 2.361 182 HA ALA 23 HA ALA 23 14.597 5.393 3.165 183 1HB ALA 23 HB1 ALA 23 12.347 4.179 1.559 184 2HB ALA 23 HB2 ALA 23 13.981 4.299 0.915 185 3HB ALA 23 HB3 ALA 23 13.091 5.761 1.345 186 H LEU 24 HN LEU 24 11.808 3.142 3.490 187 HA LEU 24 HA LEU 24 10.201 5.000 5.018 188 1HB LEU 24 HB2 LEU 24 10.154 2.009 4.568 189 2HB LEU 24 HB1 LEU 24 8.839 2.908 5.334 190 HG LEU 24 HG LEU 24 9.949 3.387 2.561 191 1HD1 LEU 24 HD11 LEU 24 7.954 1.614 3.549 192 2HD1 LEU 24 HD12 LEU 24 8.395 1.931 1.872 193 3HD1 LEU 24 HD13 LEU 24 7.141 2.897 2.650 194 1HD2 LEU 24 HD21 LEU 24 7.963 4.972 2.469 195 2HD2 LEU 24 HD22 LEU 24 9.301 5.485 3.491 196 3HD2 LEU 24 HD23 LEU 24 7.857 4.808 4.210 197 H SER 25 HN SER 25 12.438 2.442 5.942 198 HA SER 25 HA SER 25 11.809 1.939 8.592 199 1HB SER 25 HB2 SER 25 14.283 1.567 8.822 200 2HB SER 25 HB1 SER 25 13.597 0.842 7.373 201 HG SER 25 HG SER 25 15.050 1.986 6.376 202 H ALA 26 HN ALA 26 10.887 4.032 9.349 203 HA ALA 26 HA ALA 26 12.886 6.136 10.009 204 1HB ALA 26 HB1 ALA 26 10.013 6.310 10.789 205 2HB ALA 26 HB2 ALA 26 10.348 6.255 9.057 206 3HB ALA 26 HB3 ALA 26 11.044 7.533 10.049 207 H ASP 27 HN ASP 27 12.093 7.095 12.365 208 HA ASP 27 HA ASP 27 12.833 5.043 14.290 209 1HB ASP 27 HB2 ASP 27 12.505 6.921 15.870 210 2HB ASP 27 HB1 ASP 27 13.420 7.449 14.458 211 H ARG 28 HN ARG 28 9.983 5.633 12.656 212 HA ARG 28 HA ARG 28 8.378 4.314 14.785 213 1HB ARG 28 HB2 ARG 28 6.610 6.019 14.324 214 2HB ARG 28 HB1 ARG 28 8.084 6.723 14.983 215 1HG ARG 28 HG2 ARG 28 8.708 7.666 12.939 216 2HG ARG 28 HG1 ARG 28 7.735 6.525 12.005 217 1HD ARG 28 HD2 ARG 28 5.973 7.946 12.036 218 2HD ARG 28 HD1 ARG 28 6.036 8.032 13.807 219 HE ARG 28 HE ARG 28 7.256 9.948 11.959 220 1HH1 ARG 28 HH11 ARG 28 7.337 8.471 15.080 221 2HH1 ARG 28 HH12 ARG 28 8.128 9.812 15.839 222 1HH2 ARG 28 HH21 ARG 28 8.273 11.716 12.943 223 2HH2 ARG 28 HH22 ARG 28 8.658 11.646 14.631 224 H TYR 29 HN TYR 29 9.365 3.050 12.367 225 HA TYR 29 HA TYR 29 6.898 2.956 10.666 226 1HB TYR 29 HB2 TYR 29 9.819 2.793 10.231 227 2HB TYR 29 HB1 TYR 29 8.858 1.669 9.274 228 HD1 TYR 29 HD1 TYR 29 8.633 5.247 10.383 229 HD2 TYR 29 HD2 TYR 29 8.188 2.428 7.187 230 HE1 TYR 29 HE1 TYR 29 8.021 7.098 8.845 231 HE2 TYR 29 HE2 TYR 29 7.563 4.257 5.671 232 HH TYR 29 HH TYR 29 8.142 7.439 6.256 233 H GLN 30 HN GLN 30 5.759 1.058 10.582 234 HA GLN 30 HA GLN 30 6.978 -1.364 11.870 235 1HB GLN 30 HB2 GLN 30 5.056 -0.493 13.094 236 2HB GLN 30 HB1 GLN 30 4.111 -0.389 11.607 237 1HG GLN 30 HG2 GLN 30 4.229 -2.833 11.345 238 2HG GLN 30 HG1 GLN 30 5.196 -2.950 12.816 239 1HE2 GLN 30 HE21 GLN 30 2.690 -4.291 12.630 240 2HE2 GLN 30 HE22 GLN 30 1.595 -3.551 13.694 241 H LEU 31 HN LEU 31 7.919 -2.050 9.840 242 HA LEU 31 HA LEU 31 6.155 -2.392 7.502 243 1HB LEU 31 HB2 LEU 31 9.043 -3.197 7.868 244 2HB LEU 31 HB1 LEU 31 8.213 -2.795 6.370 245 HG LEU 31 HG LEU 31 8.721 -0.860 8.644 246 1HD1 LEU 31 HD11 LEU 31 9.937 -0.470 5.970 247 2HD1 LEU 31 HD12 LEU 31 10.593 -1.807 6.916 248 3HD1 LEU 31 HD13 LEU 31 10.615 -0.169 7.570 249 1HD2 LEU 31 HD21 LEU 31 6.840 -0.013 7.583 250 2HD2 LEU 31 HD22 LEU 31 7.264 -0.734 6.029 251 3HD2 LEU 31 HD23 LEU 31 8.112 0.703 6.594 252 H GLN 32 HN GLN 32 5.373 -4.307 6.797 253 HA GLN 32 HA GLN 32 6.247 -6.817 8.180 254 1HB GLN 32 HB2 GLN 32 3.983 -6.287 8.825 255 2HB GLN 32 HB1 GLN 32 3.547 -5.889 7.163 256 1HG GLN 32 HG2 GLN 32 2.692 -8.109 7.687 257 2HG GLN 32 HG1 GLN 32 4.006 -8.264 6.521 258 1HE2 GLN 32 HE21 GLN 32 5.295 -10.025 7.062 259 2HE2 GLN 32 HE22 GLN 32 5.719 -10.478 8.642 260 H VAL 33 HN VAL 33 7.215 -8.206 6.738 261 HA VAL 33 HA VAL 33 6.940 -7.572 3.843 262 HB VAL 33 HB VAL 33 8.908 -9.276 5.391 263 1HG1 VAL 33 HG11 VAL 33 10.044 -8.299 3.024 264 2HG1 VAL 33 HG12 VAL 33 8.425 -8.818 2.558 265 3HG1 VAL 33 HG13 VAL 33 9.527 -9.958 3.328 266 1HG2 VAL 33 HG21 VAL 33 8.791 -6.369 4.624 267 2HG2 VAL 33 HG22 VAL 33 10.353 -7.173 4.769 268 3HG2 VAL 33 HG23 VAL 33 9.273 -7.092 6.160 269 H CYS 34 HN CYS 34 5.872 -8.905 2.494 270 HA CYS 34 HA CYS 34 5.154 -11.660 3.457 271 1HB CYS 34 HB2 CYS 34 3.755 -9.642 1.681 272 2HB CYS 34 HB1 CYS 34 3.193 -11.302 1.886 273 HG CYS 34 HG CYS 34 1.984 -9.861 3.700 274 H GLU 35 HN GLU 35 6.080 -13.279 2.285 275 HA GLU 35 HA GLU 35 7.793 -12.869 0.038 276 1HB GLU 35 HB2 GLU 35 6.332 -15.340 1.020 277 2HB GLU 35 HB1 GLU 35 7.732 -15.340 -0.045 278 1HG GLU 35 HG2 GLU 35 8.968 -14.067 1.781 279 2HG GLU 35 HG1 GLU 35 7.604 -14.443 2.837 280 H SER 36 HN SER 36 4.327 -13.667 0.208 281 HA SER 36 HA SER 36 4.284 -13.703 -2.796 282 1HB SER 36 HB2 SER 36 2.364 -15.278 -2.476 283 2HB SER 36 HB1 SER 36 3.871 -15.886 -1.793 284 HG SER 36 HG SER 36 1.774 -15.856 -0.489 285 H GLY 37 HN GLY 37 1.570 -13.628 -3.201 286 1HA GLY 37 HA2 GLY 37 0.862 -10.904 -2.204 287 2HA GLY 37 HA1 GLY 37 0.194 -11.661 -3.660 288 H GLU 38 HN GLU 38 0.006 -14.244 -2.280 289 HA GLU 38 HA GLU 38 -2.677 -14.060 -1.266 290 1HB GLU 38 HB2 GLU 38 -0.470 -16.145 -1.292 291 2HB GLU 38 HB1 GLU 38 -2.092 -16.481 -0.720 292 1HG GLU 38 HG2 GLU 38 -2.986 -15.721 -2.935 293 2HG GLU 38 HG1 GLU 38 -1.320 -15.562 -3.494 294 H MET 39 HN MET 39 0.562 -14.361 0.127 295 HA MET 39 HA MET 39 -0.271 -14.560 2.868 296 1HB MET 39 HB2 MET 39 2.227 -13.964 1.323 297 2HB MET 39 HB1 MET 39 2.216 -13.575 3.043 298 1HG MET 39 HG2 MET 39 1.097 -16.079 3.040 299 2HG MET 39 HG1 MET 39 2.250 -16.205 1.712 300 1HE MET 39 HE1 MET 39 5.596 -15.174 3.246 301 2HE MET 39 HE2 MET 39 4.423 -14.448 2.149 302 3HE MET 39 HE3 MET 39 4.853 -16.146 1.967 303 H LEU 40 HN LEU 40 0.539 -11.894 0.693 304 HA LEU 40 HA LEU 40 0.534 -9.731 2.542 305 1HB LEU 40 HB2 LEU 40 1.171 -9.905 0.037 306 2HB LEU 40 HB1 LEU 40 -0.545 -9.669 -0.286 307 HG LEU 40 HG LEU 40 0.428 -7.492 -0.378 308 1HD1 LEU 40 HD11 LEU 40 -0.590 -7.696 2.458 309 2HD1 LEU 40 HD12 LEU 40 -1.655 -7.771 1.054 310 3HD1 LEU 40 HD13 LEU 40 -0.704 -6.320 1.362 311 1HD2 LEU 40 HD21 LEU 40 1.652 -7.888 2.352 312 2HD2 LEU 40 HD22 LEU 40 2.038 -6.662 1.144 313 3HD2 LEU 40 HD23 LEU 40 2.521 -8.338 0.886 314 H LEU 41 HN LEU 41 -2.127 -11.166 0.630 315 HA LEU 41 HA LEU 41 -4.197 -9.418 1.449 316 1HB LEU 41 HB2 LEU 41 -4.181 -12.388 0.803 317 2HB LEU 41 HB1 LEU 41 -5.626 -11.383 0.834 318 HG LEU 41 HG LEU 41 -3.228 -10.836 -0.921 319 1HD1 LEU 41 HD11 LEU 41 -4.290 -12.887 -1.666 320 2HD1 LEU 41 HD12 LEU 41 -4.780 -11.591 -2.758 321 3HD1 LEU 41 HD13 LEU 41 -5.890 -12.164 -1.512 322 1HD2 LEU 41 HD21 LEU 41 -5.375 -9.554 -2.002 323 2HD2 LEU 41 HD22 LEU 41 -4.246 -8.795 -0.880 324 3HD2 LEU 41 HD23 LEU 41 -5.767 -9.458 -0.284 325 H GLU 42 HN GLU 42 -3.100 -12.498 2.947 326 HA GLU 42 HA GLU 42 -4.970 -12.564 5.080 327 1HB GLU 42 HB2 GLU 42 -3.442 -14.393 4.472 328 2HB GLU 42 HB1 GLU 42 -2.058 -13.422 4.976 329 1HG GLU 42 HG2 GLU 42 -2.508 -14.818 6.841 330 2HG GLU 42 HG1 GLU 42 -3.230 -13.266 7.266 331 H TYR 43 HN TYR 43 -1.789 -10.922 4.899 332 HA TYR 43 HA TYR 43 -1.780 -9.972 7.603 333 1HB TYR 43 HB2 TYR 43 0.232 -9.956 6.288 334 2HB TYR 43 HB1 TYR 43 -0.529 -8.997 5.017 335 HD1 TYR 43 HD1 TYR 43 1.286 -7.265 5.217 336 HD2 TYR 43 HD2 TYR 43 -1.305 -8.246 8.505 337 HE1 TYR 43 HE1 TYR 43 1.964 -5.185 6.383 338 HE2 TYR 43 HE2 TYR 43 -0.624 -6.166 9.662 339 HH TYR 43 HH TYR 43 2.030 -4.446 8.932 340 H ALA 44 HN ALA 44 -2.884 -8.413 4.567 341 HA ALA 44 HA ALA 44 -3.832 -6.028 5.963 342 1HB ALA 44 HB1 ALA 44 -3.942 -5.229 3.832 343 2HB ALA 44 HB2 ALA 44 -4.820 -6.643 3.249 344 3HB ALA 44 HB3 ALA 44 -3.065 -6.701 3.418 345 H GLN 45 HN GLN 45 -5.264 -9.057 4.875 346 HA GLN 45 HA GLN 45 -8.008 -8.387 4.836 347 1HB GLN 45 HB2 GLN 45 -6.337 -10.806 5.391 348 2HB GLN 45 HB1 GLN 45 -8.073 -10.906 5.695 349 1HG GLN 45 HG2 GLN 45 -8.522 -10.138 3.413 350 2HG GLN 45 HG1 GLN 45 -6.794 -10.030 3.100 351 1HE2 GLN 45 HE21 GLN 45 -7.757 -11.674 1.329 352 2HE2 GLN 45 HE22 GLN 45 -7.631 -13.312 1.750 353 H THR 46 HN THR 46 -5.864 -8.405 7.529 354 HA THR 46 HA THR 46 -8.234 -8.373 9.365 355 HB THR 46 HB THR 46 -7.020 -9.726 10.856 356 HG1 THR 46 HG1 THR 46 -4.594 -9.494 9.516 357 1HG2 THR 46 HG21 THR 46 -6.203 -11.606 9.555 358 2HG2 THR 46 HG22 THR 46 -5.899 -10.567 8.163 359 3HG2 THR 46 HG23 THR 46 -7.554 -10.890 8.675 360 H HIS 47 HN HIS 47 -6.204 -6.357 7.945 361 HA HIS 47 HA HIS 47 -6.173 -4.482 10.239 362 1HB HIS 47 HB2 HIS 47 -3.844 -5.842 8.982 363 2HB HIS 47 HB1 HIS 47 -3.646 -4.125 9.334 364 HD1 HIS 47 HD1 HIS 47 -2.077 -6.270 10.938 365 HD2 HIS 47 HD2 HIS 47 -5.717 -4.649 12.158 366 HE1 HIS 47 HE1 HIS 47 -2.213 -6.620 13.445 367 H ARG 48 HN ARG 48 -7.332 -4.873 7.419 368 HA ARG 48 HA ARG 48 -6.370 -3.260 5.404 369 1HB ARG 48 HB2 ARG 48 -9.194 -2.714 6.216 370 2HB ARG 48 HB1 ARG 48 -8.558 -3.147 4.638 371 1HG ARG 48 HG2 ARG 48 -8.178 -5.477 5.547 372 2HG ARG 48 HG1 ARG 48 -9.082 -4.980 6.978 373 1HD ARG 48 HD2 ARG 48 -10.335 -4.427 4.327 374 2HD ARG 48 HD1 ARG 48 -10.333 -6.105 4.903 375 HE ARG 48 HE ARG 48 -11.757 -3.866 6.150 376 1HH1 ARG 48 HH11 ARG 48 -10.333 -6.997 6.509 377 2HH1 ARG 48 HH12 ARG 48 -11.289 -7.410 7.890 378 1HH2 ARG 48 HH21 ARG 48 -12.992 -4.396 7.960 379 2HH2 ARG 48 HH22 ARG 48 -12.786 -5.943 8.712 380 H ASP 49 HN ASP 49 -8.443 -2.040 8.009 381 HA ASP 49 HA ASP 49 -7.867 0.754 7.394 382 1HB ASP 49 HB2 ASP 49 -9.174 -0.618 9.766 383 2HB ASP 49 HB1 ASP 49 -9.266 1.109 9.417 384 H GLN 50 HN GLN 50 -6.162 -1.640 9.098 385 HA GLN 50 HA GLN 50 -4.926 0.280 10.990 386 1HB GLN 50 HB2 GLN 50 -4.738 -2.707 10.545 387 2HB GLN 50 HB1 GLN 50 -3.843 -1.848 11.802 388 1HG GLN 50 HG2 GLN 50 -6.860 -1.921 11.487 389 2HG GLN 50 HG1 GLN 50 -5.923 -2.733 12.744 390 1HE2 GLN 50 HE21 GLN 50 -7.948 -0.284 12.655 391 2HE2 GLN 50 HE22 GLN 50 -7.171 0.859 13.641 392 H ILE 51 HN ILE 51 -4.259 -1.147 7.878 393 HA ILE 51 HA ILE 51 -1.350 -0.896 8.079 394 HB ILE 51 HB ILE 51 -3.175 -1.104 5.657 395 1HG1 ILE 51 HG12 ILE 51 -3.698 -3.069 6.788 396 2HG1 ILE 51 HG11 ILE 51 -2.270 -3.588 5.902 397 1HG2 ILE 51 HG21 ILE 51 -0.858 -2.412 5.053 398 2HG2 ILE 51 HG22 ILE 51 -0.250 -1.120 6.087 399 3HG2 ILE 51 HG23 ILE 51 -1.173 -0.727 4.637 400 1HD1 ILE 51 HD11 ILE 51 -2.401 -2.713 8.802 401 2HD1 ILE 51 HD12 ILE 51 -0.889 -2.974 7.932 402 3HD1 ILE 51 HD13 ILE 51 -2.001 -4.319 8.189 403 H ASP 52 HN ASP 52 -0.292 1.040 7.969 404 HA ASP 52 HA ASP 52 -1.731 3.499 7.343 405 1HB ASP 52 HB2 ASP 52 0.940 2.628 8.345 406 2HB ASP 52 HB1 ASP 52 0.820 4.252 7.672 407 H CYS 53 HN CYS 53 0.606 1.429 5.685 408 HA CYS 53 HA CYS 53 0.078 2.841 3.157 409 1HB CYS 53 HB2 CYS 53 1.929 3.962 4.722 410 2HB CYS 53 HB1 CYS 53 2.944 2.701 4.018 411 HG CYS 53 HG CYS 53 1.366 4.264 1.909 412 H LEU 54 HN LEU 54 0.119 1.250 1.541 413 HA LEU 54 HA LEU 54 1.546 -1.295 2.247 414 1HB LEU 54 HB2 LEU 54 -0.963 -1.060 1.617 415 2HB LEU 54 HB1 LEU 54 -0.378 -0.864 -0.036 416 HG LEU 54 HG LEU 54 0.547 -3.163 1.679 417 1HD1 LEU 54 HD11 LEU 54 -1.577 -3.700 -0.292 418 2HD1 LEU 54 HD12 LEU 54 -2.104 -2.777 1.115 419 3HD1 LEU 54 HD13 LEU 54 -1.353 -4.357 1.328 420 1HD2 LEU 54 HD21 LEU 54 0.921 -2.228 -1.052 421 2HD2 LEU 54 HD22 LEU 54 0.295 -3.877 -1.022 422 3HD2 LEU 54 HD23 LEU 54 1.794 -3.485 -0.178 423 H ILE 55 HN ILE 55 3.304 -2.005 0.995 424 HA ILE 55 HA ILE 55 4.155 -0.194 -1.233 425 HB ILE 55 HB ILE 55 5.672 -2.384 0.188 426 1HG1 ILE 55 HG12 ILE 55 5.658 0.579 0.797 427 2HG1 ILE 55 HG11 ILE 55 4.895 -0.663 1.795 428 1HG2 ILE 55 HG21 ILE 55 6.817 -1.837 -1.794 429 2HG2 ILE 55 HG22 ILE 55 7.603 -0.837 -0.570 430 3HG2 ILE 55 HG23 ILE 55 6.411 -0.126 -1.659 431 1HD1 ILE 55 HD11 ILE 55 6.863 -1.130 2.775 432 2HD1 ILE 55 HD12 ILE 55 7.612 0.167 1.843 433 3HD1 ILE 55 HD13 ILE 55 7.580 -1.477 1.202 434 H LEU 56 HN LEU 56 4.382 -1.021 -3.326 435 HA LEU 56 HA LEU 56 4.093 -3.964 -3.682 436 1HB LEU 56 HB2 LEU 56 2.358 -1.777 -4.841 437 2HB LEU 56 HB1 LEU 56 2.380 -3.423 -5.476 438 HG LEU 56 HG LEU 56 1.854 -2.768 -2.572 439 1HD1 LEU 56 HD11 LEU 56 0.052 -1.804 -3.845 440 2HD1 LEU 56 HD12 LEU 56 -0.533 -3.330 -3.182 441 3HD1 LEU 56 HD13 LEU 56 -0.053 -3.230 -4.873 442 1HD2 LEU 56 HD21 LEU 56 1.706 -5.250 -4.288 443 2HD2 LEU 56 HD22 LEU 56 0.828 -5.127 -2.764 444 3HD2 LEU 56 HD23 LEU 56 2.586 -5.012 -2.779 445 H VAL 57 HN VAL 57 4.792 -4.691 -5.752 446 HA VAL 57 HA VAL 57 6.488 -2.732 -7.266 447 HB VAL 57 HB VAL 57 6.966 -5.618 -6.460 448 1HG1 VAL 57 HG11 VAL 57 8.149 -3.932 -8.599 449 2HG1 VAL 57 HG12 VAL 57 8.029 -5.688 -8.483 450 3HG1 VAL 57 HG13 VAL 57 9.293 -4.830 -7.600 451 1HG2 VAL 57 HG21 VAL 57 7.954 -2.949 -5.583 452 2HG2 VAL 57 HG22 VAL 57 9.154 -4.239 -5.683 453 3HG2 VAL 57 HG23 VAL 57 7.738 -4.429 -4.649 454 H ALA 58 HN ALA 58 6.024 -2.701 -9.453 455 HA ALA 58 HA ALA 58 3.855 -4.363 -10.479 456 1HB ALA 58 HB1 ALA 58 5.654 -2.672 -12.169 457 2HB ALA 58 HB2 ALA 58 4.643 -1.888 -10.952 458 3HB ALA 58 HB3 ALA 58 3.901 -2.847 -12.234 459 H ALA 59 HN ALA 59 7.151 -4.917 -10.114 460 HA ALA 59 HA ALA 59 7.733 -6.236 -12.627 461 1HB ALA 59 HB1 ALA 59 8.970 -5.629 -10.072 462 2HB ALA 59 HB2 ALA 59 9.734 -5.901 -11.636 463 3HB ALA 59 HB3 ALA 59 9.367 -7.269 -10.585 464 H ASN 60 HN ASN 60 5.875 -7.125 -9.870 465 HA ASN 60 HA ASN 60 6.275 -9.990 -9.939 466 1HB ASN 60 HB2 ASN 60 4.435 -7.989 -8.724 467 2HB ASN 60 HB1 ASN 60 3.864 -9.658 -8.783 468 1HD2 ASN 60 HD21 ASN 60 5.711 -7.496 -6.932 469 2HD2 ASN 60 HD22 ASN 60 6.569 -8.632 -6.007 470 HA PRO 61 HA PRO 61 3.711 -11.189 -13.281 471 1HB PRO 61 HB2 PRO 61 2.504 -13.436 -12.295 472 2HB PRO 61 HB1 PRO 61 4.218 -13.377 -12.754 473 1HG PRO 61 HG2 PRO 61 2.973 -13.231 -10.055 474 2HG PRO 61 HG1 PRO 61 4.470 -14.026 -10.567 475 1HD PRO 61 HD2 PRO 61 4.396 -11.623 -9.271 476 2HD PRO 61 HD1 PRO 61 5.707 -12.116 -10.364 477 H SER 62 HN SER 62 1.483 -12.531 -10.926 478 HA SER 62 HA SER 62 -0.744 -11.007 -12.063 479 1HB SER 62 HB2 SER 62 -2.009 -12.401 -10.394 480 2HB SER 62 HB1 SER 62 -0.988 -13.346 -11.473 481 HG SER 62 HG SER 62 -0.748 -12.825 -8.751 482 H PHE 63 HN PHE 63 1.409 -9.592 -10.416 483 HA PHE 63 HA PHE 63 0.609 -8.826 -7.867 484 1HB PHE 63 HB2 PHE 63 2.629 -7.975 -8.547 485 2HB PHE 63 HB1 PHE 63 2.072 -7.674 -10.189 486 HD1 PHE 63 HD1 PHE 63 1.136 -6.515 -6.734 487 HD2 PHE 63 HD2 PHE 63 2.035 -5.457 -10.792 488 HE1 PHE 63 HE1 PHE 63 0.779 -4.131 -6.195 489 HE2 PHE 63 HE2 PHE 63 1.680 -3.072 -10.259 490 HZ PHE 63 HZ PHE 63 1.048 -2.400 -7.952 491 H ARG 64 HN ARG 64 -0.550 -7.481 -10.984 492 HA ARG 64 HA ARG 64 -2.185 -5.405 -9.974 493 1HB ARG 64 HB2 ARG 64 -2.144 -7.183 -12.393 494 2HB ARG 64 HB1 ARG 64 -3.523 -6.107 -12.163 495 1HG ARG 64 HG2 ARG 64 -1.880 -4.926 -13.487 496 2HG ARG 64 HG1 ARG 64 -1.893 -4.208 -11.876 497 1HD ARG 64 HD2 ARG 64 0.429 -4.541 -12.535 498 2HD ARG 64 HD1 ARG 64 0.048 -5.731 -11.283 499 HE ARG 64 HE ARG 64 0.122 -7.446 -12.928 500 1HH1 ARG 64 HH11 ARG 64 0.107 -4.280 -14.321 501 2HH1 ARG 64 HH12 ARG 64 0.437 -4.846 -15.922 502 1HH2 ARG 64 HH21 ARG 64 0.549 -8.185 -15.021 503 2HH2 ARG 64 HH22 ARG 64 0.683 -7.046 -16.319 504 H ALA 65 HN ALA 65 -3.024 -8.816 -10.617 505 HA ALA 65 HA ALA 65 -5.755 -8.684 -9.800 506 1HB ALA 65 HB1 ALA 65 -3.733 -10.946 -9.607 507 2HB ALA 65 HB2 ALA 65 -4.671 -10.538 -11.045 508 3HB ALA 65 HB3 ALA 65 -5.486 -11.135 -9.599 509 H VAL 66 HN VAL 66 -2.782 -9.406 -7.972 510 HA VAL 66 HA VAL 66 -3.951 -10.011 -5.458 511 HB VAL 66 HB VAL 66 -1.343 -8.693 -6.274 512 1HG1 VAL 66 HG11 VAL 66 -2.258 -9.816 -3.614 513 2HG1 VAL 66 HG12 VAL 66 -1.688 -8.181 -3.947 514 3HG1 VAL 66 HG13 VAL 66 -0.564 -9.538 -4.015 515 1HG2 VAL 66 HG21 VAL 66 -1.462 -11.475 -5.253 516 2HG2 VAL 66 HG22 VAL 66 -0.541 -10.811 -6.602 517 3HG2 VAL 66 HG23 VAL 66 -2.245 -11.214 -6.811 518 H VAL 67 HN VAL 67 -2.893 -6.845 -6.798 519 HA VAL 67 HA VAL 67 -3.585 -5.329 -4.452 520 HB VAL 67 HB VAL 67 -3.689 -4.351 -7.310 521 1HG1 VAL 67 HG11 VAL 67 -3.178 -3.197 -4.589 522 2HG1 VAL 67 HG12 VAL 67 -4.174 -2.566 -5.901 523 3HG1 VAL 67 HG13 VAL 67 -2.416 -2.445 -5.992 524 1HG2 VAL 67 HG21 VAL 67 -1.488 -5.657 -5.928 525 2HG2 VAL 67 HG22 VAL 67 -1.081 -3.990 -6.330 526 3HG2 VAL 67 HG23 VAL 67 -1.578 -5.106 -7.601 527 H GLN 68 HN GLN 68 -5.403 -6.276 -7.361 528 HA GLN 68 HA GLN 68 -7.737 -4.721 -6.857 529 1HB GLN 68 HB2 GLN 68 -8.223 -5.651 -8.863 530 2HB GLN 68 HB1 GLN 68 -6.723 -6.560 -8.735 531 1HG GLN 68 HG2 GLN 68 -7.815 -8.467 -7.870 532 2HG GLN 68 HG1 GLN 68 -9.266 -7.553 -7.455 533 1HE2 GLN 68 HE21 GLN 68 -10.929 -7.549 -8.992 534 2HE2 GLN 68 HE22 GLN 68 -10.752 -8.044 -10.606 535 H GLN 69 HN GLN 69 -6.697 -7.927 -5.726 536 HA GLN 69 HA GLN 69 -9.137 -8.740 -4.489 537 1HB GLN 69 HB2 GLN 69 -7.067 -10.110 -4.897 538 2HB GLN 69 HB1 GLN 69 -6.272 -9.220 -3.598 539 1HG GLN 69 HG2 GLN 69 -7.123 -11.265 -2.643 540 2HG GLN 69 HG1 GLN 69 -8.154 -9.953 -2.073 541 1HE2 GLN 69 HE21 GLN 69 -10.281 -10.685 -2.074 542 2HE2 GLN 69 HE22 GLN 69 -10.999 -11.592 -3.316 543 H LEU 70 HN LEU 70 -6.413 -6.743 -3.313 544 HA LEU 70 HA LEU 70 -7.307 -6.373 -0.627 545 1HB LEU 70 HB2 LEU 70 -5.686 -4.817 -2.633 546 2HB LEU 70 HB1 LEU 70 -6.084 -4.073 -1.084 547 HG LEU 70 HG LEU 70 -5.145 -6.815 -0.761 548 1HD1 LEU 70 HD11 LEU 70 -3.616 -6.656 -2.481 549 2HD1 LEU 70 HD12 LEU 70 -2.700 -5.822 -1.227 550 3HD1 LEU 70 HD13 LEU 70 -3.589 -4.893 -2.434 551 1HD2 LEU 70 HD21 LEU 70 -3.401 -5.136 0.536 552 2HD2 LEU 70 HD22 LEU 70 -4.935 -5.686 1.210 553 3HD2 LEU 70 HD23 LEU 70 -4.836 -4.119 0.409 554 H CYS 71 HN CYS 71 -7.950 -4.472 -3.586 555 HA CYS 71 HA CYS 71 -9.764 -2.595 -2.402 556 1HB CYS 71 HB2 CYS 71 -9.383 -3.706 -5.200 557 2HB CYS 71 HB1 CYS 71 -10.433 -2.335 -4.842 558 HG CYS 71 HG CYS 71 -7.774 -1.759 -5.448 559 H PHE 72 HN PHE 72 -10.196 -5.805 -3.860 560 HA PHE 72 HA PHE 72 -13.036 -5.893 -4.008 561 1HB PHE 72 HB2 PHE 72 -11.614 -7.562 -5.029 562 2HB PHE 72 HB1 PHE 72 -10.891 -7.970 -3.475 563 HD1 PHE 72 HD1 PHE 72 -12.182 -9.221 -1.769 564 HD2 PHE 72 HD2 PHE 72 -13.799 -8.389 -5.661 565 HE1 PHE 72 HE1 PHE 72 -13.946 -10.925 -1.401 566 HE2 PHE 72 HE2 PHE 72 -15.562 -10.092 -5.293 567 HZ PHE 72 HZ PHE 72 -15.636 -11.362 -3.162 568 H GLU 73 HN GLU 73 -10.809 -6.679 -1.356 569 HA GLU 73 HA GLU 73 -12.983 -7.374 0.498 570 1HB GLU 73 HB2 GLU 73 -10.011 -6.896 0.900 571 2HB GLU 73 HB1 GLU 73 -11.084 -7.735 2.021 572 1HG GLU 73 HG2 GLU 73 -11.609 -9.312 0.048 573 2HG GLU 73 HG1 GLU 73 -10.180 -8.617 -0.719 574 H GLY 74 HN GLY 74 -11.886 -4.498 -0.715 575 1HA GLY 74 HA2 GLY 74 -12.479 -2.317 -0.020 576 2HA GLY 74 HA1 GLY 74 -13.024 -2.984 1.519 577 H VAL 75 HN VAL 75 -9.939 -4.156 0.739 578 HA VAL 75 HA VAL 75 -8.738 -2.591 2.893 579 HB VAL 75 HB VAL 75 -7.477 -4.459 0.863 580 1HG1 VAL 75 HG11 VAL 75 -5.993 -4.906 2.905 581 2HG1 VAL 75 HG12 VAL 75 -6.725 -3.468 3.615 582 3HG1 VAL 75 HG13 VAL 75 -5.796 -3.339 2.124 583 1HG2 VAL 75 HG21 VAL 75 -8.047 -6.292 2.290 584 2HG2 VAL 75 HG22 VAL 75 -9.536 -5.367 2.097 585 3HG2 VAL 75 HG23 VAL 75 -8.587 -5.215 3.575 586 H VAL 76 HN VAL 76 -8.975 -0.423 1.940 587 HA VAL 76 HA VAL 76 -7.154 0.080 -0.383 588 HB VAL 76 HB VAL 76 -9.302 1.895 0.738 589 1HG1 VAL 76 HG11 VAL 76 -7.456 1.926 -1.509 590 2HG1 VAL 76 HG12 VAL 76 -8.492 3.214 -0.901 591 3HG1 VAL 76 HG13 VAL 76 -9.129 2.044 -2.057 592 1HG2 VAL 76 HG21 VAL 76 -9.599 -0.259 -1.384 593 2HG2 VAL 76 HG22 VAL 76 -10.846 0.890 -0.898 594 3HG2 VAL 76 HG23 VAL 76 -10.284 -0.333 0.241 595 H VAL 77 HN VAL 77 -5.310 1.164 0.040 596 HA VAL 77 HA VAL 77 -5.112 3.029 2.360 597 HB VAL 77 HB VAL 77 -2.954 1.710 2.921 598 1HG1 VAL 77 HG11 VAL 77 -4.113 0.593 4.540 599 2HG1 VAL 77 HG12 VAL 77 -5.250 -0.110 3.388 600 3HG1 VAL 77 HG13 VAL 77 -5.458 1.555 3.929 601 1HG2 VAL 77 HG21 VAL 77 -2.775 0.402 0.884 602 2HG2 VAL 77 HG22 VAL 77 -4.396 -0.254 1.104 603 3HG2 VAL 77 HG23 VAL 77 -3.104 -0.714 2.210 604 HA PRO 78 HA PRO 78 -2.333 5.197 -0.310 605 1HB PRO 78 HB2 PRO 78 -0.243 5.821 1.365 606 2HB PRO 78 HB1 PRO 78 -1.804 6.668 1.404 607 1HG PRO 78 HG2 PRO 78 -0.823 4.438 3.115 608 2HG PRO 78 HG1 PRO 78 -1.668 5.919 3.596 609 1HD PRO 78 HD2 PRO 78 -2.976 3.596 3.405 610 2HD PRO 78 HD1 PRO 78 -3.740 5.115 2.878 611 H ALA 79 HN ALA 79 -1.821 3.340 -1.585 612 HA ALA 79 HA ALA 79 0.457 1.659 -0.718 613 1HB ALA 79 HB1 ALA 79 -0.846 1.140 -3.292 614 2HB ALA 79 HB2 ALA 79 -1.982 1.244 -1.949 615 3HB ALA 79 HB3 ALA 79 -0.661 0.078 -1.895 616 H ILE 80 HN ILE 80 2.487 2.035 -1.502 617 HA ILE 80 HA ILE 80 2.841 3.926 -3.760 618 HB ILE 80 HB ILE 80 4.828 2.553 -1.917 619 1HG1 ILE 80 HG12 ILE 80 3.661 5.347 -1.698 620 2HG1 ILE 80 HG11 ILE 80 3.056 3.970 -0.775 621 1HG2 ILE 80 HG21 ILE 80 6.311 4.396 -2.598 622 2HG2 ILE 80 HG22 ILE 80 5.042 5.044 -3.636 623 3HG2 ILE 80 HG23 ILE 80 5.775 3.485 -4.011 624 1HD1 ILE 80 HD11 ILE 80 5.029 5.621 0.107 625 2HD1 ILE 80 HD12 ILE 80 5.986 4.362 -0.672 626 3HD1 ILE 80 HD13 ILE 80 4.857 3.942 0.616 627 H VAL 81 HN VAL 81 3.193 3.122 -5.797 628 HA VAL 81 HA VAL 81 3.780 0.215 -6.084 629 HB VAL 81 HB VAL 81 2.836 2.295 -8.077 630 1HG1 VAL 81 HG11 VAL 81 2.289 -0.625 -8.342 631 2HG1 VAL 81 HG12 VAL 81 3.933 -0.082 -8.678 632 3HG1 VAL 81 HG13 VAL 81 2.580 0.581 -9.594 633 1HG2 VAL 81 HG21 VAL 81 0.890 0.308 -7.223 634 2HG2 VAL 81 HG22 VAL 81 0.753 2.067 -7.224 635 3HG2 VAL 81 HG23 VAL 81 1.485 1.239 -5.850 636 H VAL 82 HN VAL 82 5.588 -0.501 -7.202 637 HA VAL 82 HA VAL 82 7.576 1.591 -8.025 638 HB VAL 82 HB VAL 82 8.125 -1.256 -7.161 639 1HG1 VAL 82 HG11 VAL 82 10.315 -0.255 -6.534 640 2HG1 VAL 82 HG12 VAL 82 9.762 1.298 -7.162 641 3HG1 VAL 82 HG13 VAL 82 9.965 -0.073 -8.253 642 1HG2 VAL 82 HG21 VAL 82 7.320 -0.682 -5.122 643 2HG2 VAL 82 HG22 VAL 82 7.198 1.022 -5.562 644 3HG2 VAL 82 HG23 VAL 82 8.734 0.364 -4.996 645 H GLY 83 HN GLY 83 8.619 1.268 -10.041 646 1HA GLY 83 HA2 GLY 83 9.208 -0.065 -11.984 647 2HA GLY 83 HA1 GLY 83 7.876 -1.155 -11.601 648 H ASP 84 HN ASP 84 6.700 1.894 -11.128 649 HA ASP 84 HA ASP 84 5.137 1.818 -13.599 650 1HB ASP 84 HB2 ASP 84 5.195 3.214 -11.001 651 2HB ASP 84 HB1 ASP 84 4.572 4.185 -12.336 652 H ARG 85 HN ARG 85 7.034 2.083 -15.069 653 HA ARG 85 HA ARG 85 8.225 4.810 -15.119 654 1HB ARG 85 HB2 ARG 85 8.758 2.172 -16.506 655 2HB ARG 85 HB1 ARG 85 9.584 3.659 -16.974 656 1HG ARG 85 HG2 ARG 85 9.557 2.590 -14.140 657 2HG ARG 85 HG1 ARG 85 10.842 2.244 -15.299 658 1HD ARG 85 HD2 ARG 85 11.049 4.791 -15.600 659 2HD ARG 85 HD1 ARG 85 10.061 4.925 -14.131 660 HE ARG 85 HE ARG 85 12.077 3.023 -13.584 661 1HH1 ARG 85 HH11 ARG 85 11.751 6.370 -14.371 662 2HH1 ARG 85 HH12 ARG 85 13.197 6.839 -13.545 663 1HH2 ARG 85 HH21 ARG 85 13.969 3.620 -12.504 664 2HH2 ARG 85 HH22 ARG 85 14.454 5.282 -12.488 665 H ASP 86 HN ASP 86 8.007 6.126 -17.032 666 HA ASP 86 HA ASP 86 5.589 5.462 -18.659 667 1HB ASP 86 HB2 ASP 86 7.036 7.991 -17.860 668 2HB ASP 86 HB1 ASP 86 5.824 7.991 -19.142 669 H SER 87 HN SER 87 6.004 4.730 -20.704 670 HA SER 87 HA SER 87 8.218 5.953 -22.266 671 1HB SER 87 HB2 SER 87 7.925 2.957 -22.021 672 2HB SER 87 HB1 SER 87 9.305 3.869 -22.625 673 HG SER 87 HG SER 87 9.937 4.239 -20.633 674 H GLU 88 HN GLU 88 7.961 5.536 -24.579 675 HA GLU 88 HA GLU 88 5.286 5.556 -25.558 676 1HB GLU 88 HB2 GLU 88 6.436 5.268 -27.739 677 2HB GLU 88 HB1 GLU 88 7.291 6.428 -26.722 678 1HG GLU 88 HG2 GLU 88 9.146 5.166 -26.872 679 2HG GLU 88 HG1 GLU 88 8.291 3.844 -26.077 680 H ASP 89 HN ASP 89 7.370 2.949 -24.630 681 HA ASP 89 HA ASP 89 6.282 0.832 -26.237 682 1HB ASP 89 HB2 ASP 89 8.424 0.761 -25.026 683 2HB ASP 89 HB1 ASP 89 7.570 0.876 -23.488 684 HA PRO 90 HA PRO 90 2.350 0.669 -24.078 685 1HB PRO 90 HB2 PRO 90 1.300 -1.351 -25.590 686 2HB PRO 90 HB1 PRO 90 1.373 0.332 -26.151 687 1HG PRO 90 HG2 PRO 90 3.141 -1.967 -26.816 688 2HG PRO 90 HG1 PRO 90 2.548 -0.663 -27.854 689 1HD PRO 90 HD2 PRO 90 5.069 -0.730 -26.808 690 2HD PRO 90 HD1 PRO 90 4.216 0.773 -27.226 691 H ASP 91 HN ASP 91 4.787 -1.733 -24.406 692 HA ASP 91 HA ASP 91 3.411 -3.752 -22.737 693 1HB ASP 91 HB2 ASP 91 6.108 -3.503 -24.087 694 2HB ASP 91 HB1 ASP 91 5.662 -4.902 -23.108 695 H GLU 92 HN GLU 92 4.558 -0.905 -21.867 696 HA GLU 92 HA GLU 92 6.682 -1.108 -20.085 697 1HB GLU 92 HB2 GLU 92 4.103 0.419 -20.171 698 2HB GLU 92 HB1 GLU 92 5.133 0.576 -18.746 699 1HG GLU 92 HG2 GLU 92 6.173 0.929 -21.565 700 2HG GLU 92 HG1 GLU 92 5.570 2.273 -20.591 701 HA PRO 93 HA PRO 93 5.290 -3.783 -16.875 702 1HB PRO 93 HB2 PRO 93 6.982 -2.987 -14.887 703 2HB PRO 93 HB1 PRO 93 7.531 -3.920 -16.293 704 1HG PRO 93 HG2 PRO 93 7.866 -1.050 -15.685 705 2HG PRO 93 HG1 PRO 93 8.905 -2.139 -16.611 706 1HD PRO 93 HD2 PRO 93 7.132 -0.251 -17.668 707 2HD PRO 93 HD1 PRO 93 7.908 -1.577 -18.558 708 H ALA 94 HN ALA 94 3.462 -1.671 -17.112 709 HA ALA 94 HA ALA 94 2.617 -1.336 -14.339 710 1HB ALA 94 HB1 ALA 94 2.745 1.282 -14.761 711 2HB ALA 94 HB2 ALA 94 4.023 0.811 -15.881 712 3HB ALA 94 HB3 ALA 94 4.149 0.395 -14.172 713 H LYS 95 HN LYS 95 0.476 -0.518 -14.191 714 HA LYS 95 HA LYS 95 -0.905 0.154 -16.754 715 1HB LYS 95 HB2 LYS 95 -1.756 -1.881 -14.666 716 2HB LYS 95 HB1 LYS 95 -2.715 -1.415 -16.071 717 1HG LYS 95 HG2 LYS 95 -0.612 -2.069 -17.445 718 2HG LYS 95 HG1 LYS 95 -0.114 -2.928 -15.988 719 1HD LYS 95 HD2 LYS 95 -1.765 -4.510 -16.190 720 2HD LYS 95 HD1 LYS 95 -2.916 -3.370 -16.890 721 1HE LYS 95 HE2 LYS 95 -2.256 -3.834 -19.029 722 2HE LYS 95 HE1 LYS 95 -0.542 -3.924 -18.580 723 1HZ LYS 95 HZ1 LYS 95 -1.296 -6.126 -19.108 724 2HZ LYS 95 HZ2 LYS 95 -2.632 -5.975 -18.069 725 3HZ LYS 95 HZ3 LYS 95 -1.060 -6.042 -17.430 726 H GLU 96 HN GLU 96 -3.191 1.019 -16.181 727 HA GLU 96 HA GLU 96 -2.871 3.018 -14.045 728 1HB GLU 96 HB2 GLU 96 -5.084 2.444 -16.039 729 2HB GLU 96 HB1 GLU 96 -4.945 3.905 -15.060 730 1HG GLU 96 HG2 GLU 96 -2.766 4.403 -16.105 731 2HG GLU 96 HG1 GLU 96 -2.908 2.947 -17.091 732 H GLN 97 HN GLN 97 -4.130 -0.142 -14.192 733 HA GLN 97 HA GLN 97 -6.062 0.415 -11.966 734 1HB GLN 97 HB2 GLN 97 -6.854 -0.655 -14.113 735 2HB GLN 97 HB1 GLN 97 -5.814 -2.031 -13.741 736 1HG GLN 97 HG2 GLN 97 -7.002 -2.342 -11.592 737 2HG GLN 97 HG1 GLN 97 -8.051 -0.982 -11.981 738 1HE2 GLN 97 HE21 GLN 97 -9.407 -3.303 -11.576 739 2HE2 GLN 97 HE22 GLN 97 -9.906 -4.004 -13.040 740 H LEU 98 HN LEU 98 -3.211 0.252 -11.450 741 HA LEU 98 HA LEU 98 -2.500 -2.407 -10.543 742 1HB LEU 98 HB2 LEU 98 -1.452 0.349 -9.808 743 2HB LEU 98 HB1 LEU 98 -0.610 -1.178 -9.539 744 HG LEU 98 HG LEU 98 -1.458 -0.105 -12.241 745 1HD1 LEU 98 HD11 LEU 98 1.397 -0.537 -11.650 746 2HD1 LEU 98 HD12 LEU 98 0.653 0.757 -10.711 747 3HD1 LEU 98 HD13 LEU 98 0.608 0.808 -12.474 748 1HD2 LEU 98 HD21 LEU 98 -1.457 -2.469 -12.389 749 2HD2 LEU 98 HD22 LEU 98 -0.058 -2.618 -11.325 750 3HD2 LEU 98 HD23 LEU 98 0.141 -1.999 -12.965 751 H TYR 99 HN TYR 99 -3.903 0.478 -9.060 752 HA TYR 99 HA TYR 99 -5.005 -1.142 -6.869 753 1HB TYR 99 HB2 TYR 99 -2.527 -0.318 -6.450 754 2HB TYR 99 HB1 TYR 99 -3.308 1.227 -6.125 755 HD1 TYR 99 HD1 TYR 99 -1.762 -0.508 -4.113 756 HD2 TYR 99 HD2 TYR 99 -5.935 -0.224 -5.099 757 HE1 TYR 99 HE1 TYR 99 -2.356 -1.258 -1.820 758 HE2 TYR 99 HE2 TYR 99 -6.525 -0.975 -2.804 759 HH TYR 99 HH TYR 99 -4.585 -2.509 -0.813 760 H HIS 100 HN HIS 100 -5.043 1.713 -5.455 761 HA HIS 100 HA HIS 100 -7.515 2.559 -6.879 762 1HB HIS 100 HB2 HIS 100 -7.911 3.840 -4.776 763 2HB HIS 100 HB1 HIS 100 -7.662 2.124 -4.487 764 HD2 HIS 100 HD2 HIS 100 -5.242 1.472 -3.126 765 HE1 HIS 100 HE1 HIS 100 -4.160 5.472 -2.304 766 HE2 HIS 100 HE2 HIS 100 -3.673 3.054 -1.815 767 H SER 101 HN SER 101 -7.830 5.050 -6.895 768 HA SER 101 HA SER 101 -5.819 6.203 -8.564 769 1HB SER 101 HB2 SER 101 -7.322 8.045 -8.622 770 2HB SER 101 HB1 SER 101 -8.339 6.630 -8.371 771 HG SER 101 HG SER 101 -9.004 7.719 -6.699 772 H ALA 102 HN ALA 102 -6.042 6.174 -5.081 773 HA ALA 102 HA ALA 102 -4.415 8.605 -4.768 774 1HB ALA 102 HB1 ALA 102 -5.976 6.749 -3.120 775 2HB ALA 102 HB2 ALA 102 -5.679 8.470 -2.894 776 3HB ALA 102 HB3 ALA 102 -4.493 7.291 -2.336 777 H GLU 103 HN GLU 103 -3.878 5.111 -4.848 778 HA GLU 103 HA GLU 103 -1.483 4.656 -3.600 779 1HB GLU 103 HB2 GLU 103 -1.198 2.932 -5.216 780 2HB GLU 103 HB1 GLU 103 -2.936 3.226 -5.189 781 1HG GLU 103 HG2 GLU 103 -2.622 4.811 -7.128 782 2HG GLU 103 HG1 GLU 103 -0.941 4.281 -7.214 783 H LEU 104 HN LEU 104 0.685 5.276 -3.870 784 HA LEU 104 HA LEU 104 1.217 7.376 -5.922 785 1HB LEU 104 HB2 LEU 104 2.182 6.654 -3.221 786 2HB LEU 104 HB1 LEU 104 3.432 7.233 -4.325 787 HG LEU 104 HG LEU 104 1.984 9.207 -4.849 788 1HD1 LEU 104 HD11 LEU 104 -0.020 9.614 -3.689 789 2HD1 LEU 104 HD12 LEU 104 0.362 8.437 -2.435 790 3HD1 LEU 104 HD13 LEU 104 -0.103 7.888 -4.040 791 1HD2 LEU 104 HD21 LEU 104 2.101 9.920 -2.188 792 2HD2 LEU 104 HD22 LEU 104 3.462 9.992 -3.307 793 3HD2 LEU 104 HD23 LEU 104 3.253 8.587 -2.262 794 H HIS 105 HN HIS 105 3.293 7.243 -7.110 795 HA HIS 105 HA HIS 105 4.128 4.400 -7.591 796 1HB HIS 105 HB2 HIS 105 4.174 6.740 -9.513 797 2HB HIS 105 HB1 HIS 105 4.376 5.035 -9.907 798 HD1 HIS 105 HD1 HIS 105 2.038 7.110 -10.873 799 HD2 HIS 105 HD2 HIS 105 1.686 4.005 -8.118 800 HE1 HIS 105 HE1 HIS 105 -0.415 6.475 -10.821 801 H LEU 106 HN LEU 106 6.360 4.007 -7.725 802 HA LEU 106 HA LEU 106 8.175 6.355 -7.320 803 1HB LEU 106 HB2 LEU 106 7.642 5.092 -5.219 804 2HB LEU 106 HB1 LEU 106 8.308 3.640 -5.964 805 HG LEU 106 HG LEU 106 10.500 4.593 -6.087 806 1HD1 LEU 106 HD11 LEU 106 10.640 7.055 -5.066 807 2HD1 LEU 106 HD12 LEU 106 8.984 7.134 -5.668 808 3HD1 LEU 106 HD13 LEU 106 10.309 6.791 -6.780 809 1HD2 LEU 106 HD21 LEU 106 9.008 4.855 -3.525 810 2HD2 LEU 106 HD22 LEU 106 10.583 5.648 -3.591 811 3HD2 LEU 106 HD23 LEU 106 10.454 3.914 -3.891 812 H GLY 107 HN GLY 107 9.879 6.342 -8.754 813 1HA GLY 107 HA2 GLY 107 10.097 4.444 -10.852 814 2HA GLY 107 HA1 GLY 107 11.383 5.560 -10.382 815 H ILE 108 HN ILE 108 11.546 2.656 -11.120 816 HA ILE 108 HA ILE 108 11.951 0.969 -8.911 817 HB ILE 108 HB ILE 108 13.299 1.213 -11.614 818 1HG1 ILE 108 HG12 ILE 108 11.042 -0.591 -10.695 819 2HG1 ILE 108 HG11 ILE 108 10.779 0.954 -11.504 820 1HG2 ILE 108 HG21 ILE 108 14.123 -0.333 -9.493 821 2HG2 ILE 108 HG22 ILE 108 14.451 -0.670 -11.194 822 3HG2 ILE 108 HG23 ILE 108 13.075 -1.430 -10.390 823 1HD1 ILE 108 HD11 ILE 108 12.714 -0.552 -13.002 824 2HD1 ILE 108 HD12 ILE 108 11.112 -0.013 -13.506 825 3HD1 ILE 108 HD13 ILE 108 11.305 -1.571 -12.703 826 H HIS 109 HN HIS 109 14.238 3.225 -10.484 827 HA HIS 109 HA HIS 109 16.345 2.561 -8.523 828 1HB HIS 109 HB2 HIS 109 16.117 4.507 -10.840 829 2HB HIS 109 HB1 HIS 109 17.584 4.288 -9.887 830 HD1 HIS 109 HD1 HIS 109 18.090 1.449 -9.643 831 HD2 HIS 109 HD2 HIS 109 16.274 2.925 -13.093 832 HE1 HIS 109 HE1 HIS 109 18.432 -0.304 -11.435 833 H GLN 110 HN GLN 110 13.601 4.299 -8.286 834 HA GLN 110 HA GLN 110 14.783 6.652 -6.893 835 1HB GLN 110 HB2 GLN 110 12.002 5.846 -7.783 836 2HB GLN 110 HB1 GLN 110 12.304 7.285 -6.810 837 1HG GLN 110 HG2 GLN 110 13.936 8.035 -8.586 838 2HG GLN 110 HG1 GLN 110 13.374 6.689 -9.580 839 1HE2 GLN 110 HE21 GLN 110 12.427 8.208 -11.164 840 2HE2 GLN 110 HE22 GLN 110 10.998 9.047 -10.806 841 H LEU 111 HN LEU 111 14.767 3.767 -5.864 842 HA LEU 111 HA LEU 111 12.863 3.707 -3.677 843 1HB LEU 111 HB2 LEU 111 15.356 2.189 -4.456 844 2HB LEU 111 HB1 LEU 111 14.527 1.857 -2.943 845 HG LEU 111 HG LEU 111 13.873 0.933 -5.590 846 1HD1 LEU 111 HD11 LEU 111 12.150 -0.339 -4.169 847 2HD1 LEU 111 HD12 LEU 111 12.850 0.508 -2.790 848 3HD1 LEU 111 HD13 LEU 111 13.853 -0.562 -3.770 849 1HD2 LEU 111 HD21 LEU 111 12.365 2.955 -5.633 850 2HD2 LEU 111 HD22 LEU 111 11.578 2.341 -4.179 851 3HD2 LEU 111 HD23 LEU 111 11.490 1.426 -5.685 852 H GLU 112 HN GLU 112 12.993 5.359 -2.350 853 HA GLU 112 HA GLU 112 14.766 5.576 -0.196 854 1HB GLU 112 HB2 GLU 112 16.130 7.574 -1.014 855 2HB GLU 112 HB1 GLU 112 16.551 6.037 -1.766 856 1HG GLU 112 HG2 GLU 112 15.019 6.598 -3.660 857 2HG GLU 112 HG1 GLU 112 14.746 8.176 -2.922 858 H GLN 113 HN GLN 113 12.773 7.157 -2.586 859 HA GLN 113 HA GLN 113 12.015 9.444 -0.894 860 1HB GLN 113 HB2 GLN 113 11.099 8.267 -3.531 861 2HB GLN 113 HB1 GLN 113 10.396 9.728 -2.840 862 1HG GLN 113 HG2 GLN 113 12.457 10.908 -2.969 863 2HG GLN 113 HG1 GLN 113 13.371 9.428 -3.264 864 1HE2 GLN 113 HE21 GLN 113 14.162 10.528 -5.288 865 2HE2 GLN 113 HE22 GLN 113 13.168 10.539 -6.663 866 H LEU 114 HN LEU 114 11.263 6.183 -0.897 867 HA LEU 114 HA LEU 114 8.512 5.893 -0.705 868 1HB LEU 114 HB2 LEU 114 10.828 4.682 0.780 869 2HB LEU 114 HB1 LEU 114 9.181 4.127 1.060 870 HG LEU 114 HG LEU 114 9.539 4.293 -1.755 871 1HD1 LEU 114 HD11 LEU 114 11.432 2.818 -2.129 872 2HD1 LEU 114 HD12 LEU 114 11.716 2.680 -0.394 873 3HD1 LEU 114 HD13 LEU 114 11.988 4.217 -1.212 874 1HD2 LEU 114 HD21 LEU 114 8.854 2.035 -1.685 875 2HD2 LEU 114 HD22 LEU 114 8.163 2.712 -0.211 876 3HD2 LEU 114 HD23 LEU 114 9.640 1.753 -0.132 877 HA PRO 115 HA PRO 115 8.631 7.153 3.943 878 1HB PRO 115 HB2 PRO 115 10.594 8.941 4.656 879 2HB PRO 115 HB1 PRO 115 10.748 7.183 4.859 880 1HG PRO 115 HG2 PRO 115 11.787 8.926 2.666 881 2HG PRO 115 HG1 PRO 115 12.593 7.605 3.533 882 1HD PRO 115 HD2 PRO 115 11.560 7.229 1.098 883 2HD PRO 115 HD1 PRO 115 11.476 5.957 2.333 884 H TYR 116 HN TYR 116 10.006 9.582 1.703 885 HA TYR 116 HA TYR 116 8.171 11.645 2.625 886 1HB TYR 116 HB2 TYR 116 9.721 12.874 1.555 887 2HB TYR 116 HB1 TYR 116 10.520 11.388 1.072 888 HD1 TYR 116 HD1 TYR 116 10.874 11.046 -1.161 889 HD2 TYR 116 HD2 TYR 116 7.547 13.460 0.070 890 HE1 TYR 116 HE1 TYR 116 10.372 11.544 -3.533 891 HE2 TYR 116 HE2 TYR 116 7.035 13.958 -2.308 892 HH TYR 116 HH TYR 116 8.049 13.964 -4.444 893 H GLN 117 HN GLN 117 8.179 9.117 0.195 894 HA GLN 117 HA GLN 117 5.806 10.040 -1.241 895 1HB GLN 117 HB2 GLN 117 7.476 7.536 -1.062 896 2HB GLN 117 HB1 GLN 117 5.930 7.495 -1.911 897 1HG GLN 117 HG2 GLN 117 7.783 9.742 -2.557 898 2HG GLN 117 HG1 GLN 117 8.206 8.141 -3.168 899 1HE2 GLN 117 HE21 GLN 117 6.752 10.830 -4.252 900 2HE2 GLN 117 HE22 GLN 117 5.534 10.166 -5.230 901 H VAL 118 HN VAL 118 6.549 7.890 1.447 902 HA VAL 118 HA VAL 118 3.927 6.761 1.812 903 HB VAL 118 HB VAL 118 6.499 7.055 3.314 904 1HG1 VAL 118 HG11 VAL 118 3.923 6.132 4.630 905 2HG1 VAL 118 HG12 VAL 118 4.821 7.591 5.048 906 3HG1 VAL 118 HG13 VAL 118 5.534 6.004 5.335 907 1HG2 VAL 118 HG21 VAL 118 6.170 4.573 3.483 908 2HG2 VAL 118 HG22 VAL 118 6.184 5.165 1.822 909 3HG2 VAL 118 HG23 VAL 118 4.657 4.756 2.601 910 H ASP 119 HN ASP 119 5.607 9.470 3.487 911 HA ASP 119 HA ASP 119 3.386 10.285 5.082 912 1HB ASP 119 HB2 ASP 119 5.754 11.745 3.869 913 2HB ASP 119 HB1 ASP 119 4.663 12.497 5.031 914 H ALA 120 HN ALA 120 4.389 11.148 1.779 915 HA ALA 120 HA ALA 120 2.248 13.055 1.322 916 1HB ALA 120 HB1 ALA 120 4.138 11.439 -0.415 917 2HB ALA 120 HB2 ALA 120 4.243 13.154 -0.018 918 3HB ALA 120 HB3 ALA 120 2.976 12.571 -1.097 919 H ALA 121 HN ALA 121 2.767 9.592 0.706 920 HA ALA 121 HA ALA 121 0.369 9.086 -0.754 921 1HB ALA 121 HB1 ALA 121 2.097 7.367 1.058 922 2HB ALA 121 HB2 ALA 121 2.300 7.584 -0.681 923 3HB ALA 121 HB3 ALA 121 0.890 6.727 -0.056 924 H LEU 122 HN LEU 122 1.046 9.037 2.754 925 HA LEU 122 HA LEU 122 -1.501 7.977 3.557 926 1HB LEU 122 HB2 LEU 122 0.391 9.892 4.965 927 2HB LEU 122 HB1 LEU 122 -0.835 8.896 5.751 928 HG LEU 122 HG LEU 122 1.169 7.542 3.991 929 1HD1 LEU 122 HD11 LEU 122 2.862 8.478 5.189 930 2HD1 LEU 122 HD12 LEU 122 2.334 7.391 6.474 931 3HD1 LEU 122 HD13 LEU 122 1.770 9.063 6.443 932 1HD2 LEU 122 HD21 LEU 122 0.728 5.688 5.378 933 2HD2 LEU 122 HD22 LEU 122 -0.842 6.482 5.249 934 3HD2 LEU 122 HD23 LEU 122 0.140 6.700 6.699 935 H ALA 123 HN ALA 123 -0.331 11.371 3.482 936 HA ALA 123 HA ALA 123 -2.854 12.563 4.117 937 1HB ALA 123 HB1 ALA 123 -0.825 13.829 4.313 938 2HB ALA 123 HB2 ALA 123 -1.709 14.569 2.979 939 3HB ALA 123 HB3 ALA 123 -0.365 13.476 2.646 940 H GLU 124 HN GLU 124 -1.368 11.571 1.057 941 HA GLU 124 HA GLU 124 -3.306 12.773 -0.693 942 1HB GLU 124 HB2 GLU 124 -0.971 11.825 -1.166 943 2HB GLU 124 HB1 GLU 124 -1.725 10.231 -1.146 944 1HG GLU 124 HG2 GLU 124 -1.659 11.004 -3.443 945 2HG GLU 124 HG1 GLU 124 -3.337 11.045 -2.895 946 H PHE 125 HN PHE 125 -3.067 9.524 0.783 947 HA PHE 125 HA PHE 125 -5.338 8.366 -0.490 948 1HB PHE 125 HB2 PHE 125 -3.599 7.172 0.834 949 2HB PHE 125 HB1 PHE 125 -4.231 7.919 2.304 950 HD1 PHE 125 HD1 PHE 125 -6.358 7.226 3.262 951 HD2 PHE 125 HD2 PHE 125 -4.920 5.505 -0.403 952 HE1 PHE 125 HE1 PHE 125 -8.080 5.448 3.422 953 HE2 PHE 125 HE2 PHE 125 -6.638 3.730 -0.242 954 HZ PHE 125 HZ PHE 125 -8.218 3.697 1.668 955 H LEU 126 HN LEU 126 -5.052 10.365 2.435 956 HA LEU 126 HA LEU 126 -7.773 10.048 3.303 957 1HB LEU 126 HB2 LEU 126 -5.729 12.249 3.729 958 2HB LEU 126 HB1 LEU 126 -7.176 11.999 4.708 959 HG LEU 126 HG LEU 126 -4.940 9.987 4.333 960 1HD1 LEU 126 HD11 LEU 126 -4.002 11.442 5.856 961 2HD1 LEU 126 HD12 LEU 126 -4.969 10.467 6.964 962 3HD1 LEU 126 HD13 LEU 126 -5.567 12.033 6.414 963 1HD2 LEU 126 HD21 LEU 126 -7.611 9.923 5.713 964 2HD2 LEU 126 HD22 LEU 126 -6.279 8.937 6.318 965 3HD2 LEU 126 HD23 LEU 126 -6.872 8.705 4.674 966 H ARG 127 HN ARG 127 -6.195 12.450 1.193 967 HA ARG 127 HA ARG 127 -8.403 14.232 0.924 968 1HB ARG 127 HB2 ARG 127 -5.969 14.488 0.207 969 2HB ARG 127 HB1 ARG 127 -6.364 13.493 -1.194 970 1HG ARG 127 HG2 ARG 127 -6.613 15.749 -1.926 971 2HG ARG 127 HG1 ARG 127 -8.254 15.159 -1.662 972 1HD ARG 127 HD2 ARG 127 -8.192 16.188 0.641 973 2HD ARG 127 HD1 ARG 127 -6.622 16.904 0.220 974 HE ARG 127 HE ARG 127 -9.210 17.766 -0.816 975 1HH1 ARG 127 HH11 ARG 127 -5.816 17.484 -1.363 976 2HH1 ARG 127 HH12 ARG 127 -5.768 18.740 -2.551 977 1HH2 ARG 127 HH21 ARG 127 -9.160 19.421 -2.369 978 2HH2 ARG 127 HH22 ARG 127 -7.655 19.835 -3.121 979 H LEU 128 HN LEU 128 -7.551 11.260 -0.852 980 HA LEU 128 HA LEU 128 -10.015 11.477 -2.497 981 1HB LEU 128 HB2 LEU 128 -7.456 9.944 -2.531 982 2HB LEU 128 HB1 LEU 128 -8.855 9.254 -3.352 983 HG LEU 128 HG LEU 128 -9.142 11.380 -4.607 984 1HD1 LEU 128 HD11 LEU 128 -6.846 12.126 -2.857 985 2HD1 LEU 128 HD12 LEU 128 -8.182 13.118 -3.440 986 3HD1 LEU 128 HD13 LEU 128 -6.833 12.739 -4.511 987 1HD2 LEU 128 HD21 LEU 128 -7.865 10.410 -6.192 988 2HD2 LEU 128 HD22 LEU 128 -7.166 9.375 -4.948 989 3HD2 LEU 128 HD23 LEU 128 -6.395 10.908 -5.356 990 H ALA 129 HN ALA 129 -9.077 10.074 0.461 991 HA ALA 129 HA ALA 129 -10.523 7.587 0.286 992 1HB ALA 129 HB1 ALA 129 -9.614 9.340 2.574 993 2HB ALA 129 HB2 ALA 129 -8.808 7.907 1.938 994 3HB ALA 129 HB3 ALA 129 -10.333 7.745 2.808 995 HA PRO 130 HA PRO 130 -11.822 6.299 0.799 996 1HB PRO 130 HB2 PRO 130 -14.093 5.333 -0.368 997 2HB PRO 130 HB1 PRO 130 -13.900 5.471 1.391 998 1HG PRO 130 HG2 PRO 130 -15.382 7.217 -0.489 999 2HG PRO 130 HG1 PRO 130 -15.777 6.760 1.173 1000 1HD PRO 130 HD2 PRO 130 -14.696 9.177 0.419 1001 2HD PRO 130 HD1 PRO 130 -14.574 8.477 2.049 1002 H VAL 131 HN VAL 131 -10.420 6.244 -0.953 1003 HA VAL 131 HA VAL 131 -10.790 7.628 -3.418 1004 HB VAL 131 HB VAL 131 -8.923 6.113 -4.166 1005 1HG1 VAL 131 HG11 VAL 131 -8.962 7.861 -1.824 1006 2HG1 VAL 131 HG12 VAL 131 -7.798 7.784 -3.145 1007 3HG1 VAL 131 HG13 VAL 131 -7.645 6.692 -1.771 1008 1HG2 VAL 131 HG21 VAL 131 -9.251 4.039 -3.181 1009 2HG2 VAL 131 HG22 VAL 131 -9.746 4.730 -1.639 1010 3HG2 VAL 131 HG23 VAL 131 -8.044 4.725 -2.097 1011 H GLU 132 HN GLU 132 -10.934 6.496 -5.593 1012 HA GLU 132 HA GLU 132 -13.258 4.669 -5.594 1013 1HB GLU 132 HB2 GLU 132 -11.701 5.982 -7.845 1014 2HB GLU 132 HB1 GLU 132 -13.318 5.285 -7.956 1015 1HG GLU 132 HG2 GLU 132 -14.182 6.943 -6.390 1016 2HG GLU 132 HG1 GLU 132 -12.564 7.606 -6.161 1017 H THR 133 HN THR 133 -12.524 2.551 -5.166 1018 HA THR 133 HA THR 133 -10.165 1.533 -6.680 1019 HB THR 133 HB THR 133 -10.915 -0.518 -5.120 1020 HG1 THR 133 HG1 THR 133 -12.302 0.019 -3.659 1021 1HG2 THR 133 HG21 THR 133 -9.524 2.008 -4.186 1022 2HG2 THR 133 HG22 THR 133 -8.767 0.589 -4.900 1023 3HG2 THR 133 HG23 THR 133 -9.500 0.483 -3.299 1024 H MET 134 HN MET 134 -10.723 0.730 -8.701 1025 HA MET 134 HA MET 134 -13.341 0.101 -9.580 1026 1HB MET 134 HB2 MET 134 -10.582 -0.769 -10.463 1027 2HB MET 134 HB1 MET 134 -12.038 -1.122 -11.394 1028 1HG MET 134 HG2 MET 134 -12.501 1.195 -11.735 1029 2HG MET 134 HG1 MET 134 -11.324 1.682 -10.513 1030 1HE MET 134 HE1 MET 134 -8.179 2.138 -12.095 1031 2HE MET 134 HE2 MET 134 -8.505 0.852 -10.937 1032 3HE MET 134 HE3 MET 134 -9.355 2.389 -10.798 1033 H ALA 135 HN ALA 135 -10.879 -2.017 -8.120 1034 HA ALA 135 HA ALA 135 -12.504 -4.425 -8.514 1035 1HB ALA 135 HB1 ALA 135 -10.425 -4.706 -6.554 1036 2HB ALA 135 HB2 ALA 135 -9.821 -3.702 -7.870 1037 3HB ALA 135 HB3 ALA 135 -10.452 -5.312 -8.211 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -2.312 6.715 21.247 2 2H MET 1 HT2 MET 1 -1.563 7.910 20.298 3 3H MET 1 HT3 MET 1 -0.840 6.382 20.470 4 HA MET 1 HA MET 1 -3.022 5.495 19.422 5 1HB MET 1 HB2 MET 1 -2.941 8.383 18.495 6 2HB MET 1 HB1 MET 1 -4.172 7.179 18.110 7 1HG MET 1 HG2 MET 1 -3.577 8.315 20.858 8 2HG MET 1 HG1 MET 1 -4.994 8.666 19.869 9 1HE MET 1 HE1 MET 1 -6.975 5.492 19.674 10 2HE MET 1 HE2 MET 1 -5.579 5.616 18.607 11 3HE MET 1 HE3 MET 1 -6.530 7.053 18.974 12 H LEU 2 HN LEU 2 -0.938 8.083 18.081 13 HA LEU 2 HA LEU 2 -0.448 6.890 15.562 14 1HB LEU 2 HB2 LEU 2 -0.056 9.240 16.230 15 2HB LEU 2 HB1 LEU 2 1.285 8.715 17.246 16 HG LEU 2 HG LEU 2 2.400 7.767 15.225 17 1HD1 LEU 2 HD11 LEU 2 0.758 7.311 13.646 18 2HD1 LEU 2 HD12 LEU 2 1.371 8.848 13.036 19 3HD1 LEU 2 HD13 LEU 2 -0.121 8.804 13.978 20 1HD2 LEU 2 HD21 LEU 2 1.634 10.702 15.173 21 2HD2 LEU 2 HD22 LEU 2 2.925 10.014 14.189 22 3HD2 LEU 2 HD23 LEU 2 3.049 9.988 15.948 23 H SER 3 HN SER 3 1.681 6.866 18.437 24 HA SER 3 HA SER 3 3.576 5.527 18.909 25 1HB SER 3 HB2 SER 3 2.859 3.034 18.227 26 2HB SER 3 HB1 SER 3 2.131 3.877 19.589 27 HG SER 3 HG SER 3 0.397 3.325 18.460 28 H GLN 4 HN GLN 4 2.631 3.481 16.209 29 HA GLN 4 HA GLN 4 4.979 4.491 14.648 30 1HB GLN 4 HB2 GLN 4 4.197 1.643 15.336 31 2HB GLN 4 HB1 GLN 4 5.512 2.078 14.240 32 1HG GLN 4 HG2 GLN 4 6.550 3.405 16.090 33 2HG GLN 4 HG1 GLN 4 5.290 2.817 17.174 34 1HE2 GLN 4 HE21 GLN 4 8.333 2.296 17.026 35 2HE2 GLN 4 HE22 GLN 4 8.455 0.603 17.068 36 H ILE 5 HN ILE 5 4.819 4.061 12.317 37 HA ILE 5 HA ILE 5 2.032 4.068 11.355 38 HB ILE 5 HB ILE 5 4.707 4.229 9.923 39 1HG1 ILE 5 HG12 ILE 5 2.836 6.459 10.774 40 2HG1 ILE 5 HG11 ILE 5 4.295 6.009 11.657 41 1HG2 ILE 5 HG21 ILE 5 3.061 5.563 8.328 42 2HG2 ILE 5 HG22 ILE 5 1.851 4.538 9.093 43 3HG2 ILE 5 HG23 ILE 5 3.193 3.808 8.214 44 1HD1 ILE 5 HD11 ILE 5 5.632 6.428 9.593 45 2HD1 ILE 5 HD12 ILE 5 4.800 7.875 10.162 46 3HD1 ILE 5 HD13 ILE 5 4.163 6.976 8.786 47 H ALA 6 HN ALA 6 1.033 2.291 10.425 48 HA ALA 6 HA ALA 6 2.492 -0.268 10.405 49 1HB ALA 6 HB1 ALA 6 0.329 -0.389 11.296 50 2HB ALA 6 HB2 ALA 6 0.092 -0.960 9.642 51 3HB ALA 6 HB3 ALA 6 -0.331 0.698 10.073 52 H ILE 7 HN ILE 7 3.730 -0.626 8.627 53 HA ILE 7 HA ILE 7 2.537 0.073 5.964 54 HB ILE 7 HB ILE 7 5.409 0.045 6.931 55 1HG1 ILE 7 HG12 ILE 7 3.480 2.187 6.005 56 2HG1 ILE 7 HG11 ILE 7 4.294 2.069 7.564 57 1HG2 ILE 7 HG21 ILE 7 5.032 -0.856 4.559 58 2HG2 ILE 7 HG22 ILE 7 6.114 0.529 4.703 59 3HG2 ILE 7 HG23 ILE 7 4.456 0.759 4.150 60 1HD1 ILE 7 HD11 ILE 7 5.305 3.755 5.960 61 2HD1 ILE 7 HD12 ILE 7 5.780 2.397 4.943 62 3HD1 ILE 7 HD13 ILE 7 6.434 2.548 6.574 63 H CYS 8 HN CYS 8 2.423 -1.582 4.463 64 HA CYS 8 HA CYS 8 3.639 -4.215 5.245 65 1HB CYS 8 HB2 CYS 8 1.116 -3.934 5.448 66 2HB CYS 8 HB1 CYS 8 1.075 -3.721 3.700 67 HG CYS 8 HG CYS 8 2.042 -6.363 5.077 68 H ILE 9 HN ILE 9 5.293 -4.610 3.795 69 HA ILE 9 HA ILE 9 4.976 -3.555 1.018 70 HB ILE 9 HB ILE 9 6.926 -2.800 2.252 71 1HG1 ILE 9 HG12 ILE 9 7.732 -4.985 0.313 72 2HG1 ILE 9 HG11 ILE 9 7.169 -3.386 -0.174 73 1HG2 ILE 9 HG21 ILE 9 8.408 -5.201 2.539 74 2HG2 ILE 9 HG22 ILE 9 6.820 -5.486 3.248 75 3HG2 ILE 9 HG23 ILE 9 7.812 -4.143 3.817 76 1HD1 ILE 9 HD11 ILE 9 9.635 -4.031 1.454 77 2HD1 ILE 9 HD12 ILE 9 9.029 -2.397 1.199 78 3HD1 ILE 9 HD13 ILE 9 9.582 -3.359 -0.174 79 H TRP 10 HN TRP 10 5.041 -4.901 -0.728 80 HA TRP 10 HA TRP 10 5.398 -7.831 -0.173 81 1HB TRP 10 HB2 TRP 10 3.100 -7.378 -0.755 82 2HB TRP 10 HB1 TRP 10 3.592 -6.349 -2.105 83 HD1 TRP 10 HD1 TRP 10 5.567 -9.495 -1.547 84 HE1 TRP 10 HE1 TRP 10 5.089 -11.175 -3.440 85 HE3 TRP 10 HE3 TRP 10 1.614 -7.176 -3.801 86 HZ2 TRP 10 HZ2 TRP 10 3.264 -11.502 -5.613 87 HZ3 TRP 10 HZ3 TRP 10 0.529 -8.191 -5.778 88 HH2 TRP 10 HH2 TRP 10 1.344 -10.352 -6.689 89 H VAL 11 HN VAL 11 7.437 -8.261 -0.885 90 HA VAL 11 HA VAL 11 8.114 -7.421 -3.674 91 HB VAL 11 HB VAL 11 9.788 -7.332 -1.151 92 1HG1 VAL 11 HG11 VAL 11 11.313 -6.175 -3.074 93 2HG1 VAL 11 HG12 VAL 11 10.520 -7.437 -4.017 94 3HG1 VAL 11 HG13 VAL 11 11.472 -7.863 -2.594 95 1HG2 VAL 11 HG21 VAL 11 8.211 -5.445 -1.537 96 2HG2 VAL 11 HG22 VAL 11 8.951 -5.177 -3.114 97 3HG2 VAL 11 HG23 VAL 11 9.896 -4.933 -1.644 98 H GLU 12 HN GLU 12 9.093 -9.058 -4.874 99 HA GLU 12 HA GLU 12 9.326 -11.680 -3.506 100 1HB GLU 12 HB2 GLU 12 9.173 -10.852 -6.419 101 2HB GLU 12 HB1 GLU 12 9.228 -12.525 -5.858 102 1HG GLU 12 HG2 GLU 12 7.169 -12.140 -4.538 103 2HG GLU 12 HG1 GLU 12 7.111 -10.478 -5.125 104 H SER 13 HN SER 13 11.259 -9.117 -4.341 105 HA SER 13 HA SER 13 13.686 -10.864 -4.603 106 1HB SER 13 HB2 SER 13 12.810 -9.173 -6.490 107 2HB SER 13 HB1 SER 13 13.621 -7.990 -5.468 108 HG SER 13 HG SER 13 14.726 -9.558 -7.229 109 H THR 14 HN THR 14 14.631 -10.828 -2.556 110 HA THR 14 HA THR 14 14.116 -9.124 -0.433 111 HB THR 14 HB THR 14 16.889 -10.107 -1.073 112 HG1 THR 14 HG1 THR 14 16.167 -12.143 -0.402 113 1HG2 THR 14 HG21 THR 14 16.110 -8.834 1.090 114 2HG2 THR 14 HG22 THR 14 17.160 -10.246 1.231 115 3HG2 THR 14 HG23 THR 14 15.428 -10.401 1.525 116 H ALA 15 HN ALA 15 16.410 -8.507 -3.106 117 HA ALA 15 HA ALA 15 17.655 -6.195 -2.007 118 1HB ALA 15 HB1 ALA 15 18.729 -6.604 -3.954 119 2HB ALA 15 HB2 ALA 15 17.378 -5.837 -4.790 120 3HB ALA 15 HB3 ALA 15 17.384 -7.583 -4.540 121 H ILE 16 HN ILE 16 14.737 -6.477 -4.057 122 HA ILE 16 HA ILE 16 14.118 -3.659 -4.065 123 HB ILE 16 HB ILE 16 12.509 -6.211 -4.443 124 1HG1 ILE 16 HG12 ILE 16 13.489 -4.206 -6.489 125 2HG1 ILE 16 HG11 ILE 16 14.414 -5.636 -6.028 126 1HG2 ILE 16 HG21 ILE 16 11.527 -3.593 -4.027 127 2HG2 ILE 16 HG22 ILE 16 10.627 -4.986 -4.629 128 3HG2 ILE 16 HG23 ILE 16 11.412 -3.887 -5.763 129 1HD1 ILE 16 HD11 ILE 16 12.110 -5.431 -7.796 130 2HD1 ILE 16 HD12 ILE 16 11.837 -6.608 -6.512 131 3HD1 ILE 16 HD13 ILE 16 13.232 -6.773 -7.578 132 H LEU 17 HN LEU 17 13.172 -6.391 -2.004 133 HA LEU 17 HA LEU 17 11.288 -5.064 -0.327 134 1HB LEU 17 HB2 LEU 17 11.402 -7.401 -0.192 135 2HB LEU 17 HB1 LEU 17 13.161 -7.410 -0.160 136 HG LEU 17 HG LEU 17 11.856 -7.947 2.028 137 1HD1 LEU 17 HD11 LEU 17 13.856 -7.611 3.013 138 2HD1 LEU 17 HD12 LEU 17 13.777 -5.869 2.750 139 3HD1 LEU 17 HD13 LEU 17 14.378 -6.928 1.473 140 1HD2 LEU 17 HD21 LEU 17 11.970 -5.089 2.707 141 2HD2 LEU 17 HD22 LEU 17 10.735 -6.287 3.092 142 3HD2 LEU 17 HD23 LEU 17 10.727 -5.486 1.521 143 H GLN 18 HN GLN 18 14.840 -5.468 0.007 144 HA GLN 18 HA GLN 18 15.073 -4.012 2.475 145 1HB GLN 18 HB2 GLN 18 16.954 -4.621 0.182 146 2HB GLN 18 HB1 GLN 18 17.487 -3.845 1.671 147 1HG GLN 18 HG2 GLN 18 16.362 -5.839 2.877 148 2HG GLN 18 HG1 GLN 18 16.380 -6.623 1.297 149 1HE2 GLN 18 HE21 GLN 18 18.158 -8.012 1.226 150 2HE2 GLN 18 HE22 GLN 18 19.712 -7.631 1.794 151 H ASP 19 HN ASP 19 15.613 -2.985 -0.925 152 HA ASP 19 HA ASP 19 16.290 -0.286 -0.415 153 1HB ASP 19 HB2 ASP 19 14.707 -1.551 -2.681 154 2HB ASP 19 HB1 ASP 19 15.456 0.045 -2.752 155 H CYS 20 HN CYS 20 13.075 -1.781 -0.811 156 HA CYS 20 HA CYS 20 11.543 0.630 -0.658 157 1HB CYS 20 HB2 CYS 20 11.063 -2.289 -0.069 158 2HB CYS 20 HB1 CYS 20 9.777 -1.097 0.117 159 HG CYS 20 HG CYS 20 9.672 -1.981 -2.345 160 H GLN 21 HN GLN 21 12.518 -1.698 1.888 161 HA GLN 21 HA GLN 21 11.255 -0.160 4.014 162 1HB GLN 21 HB2 GLN 21 13.199 -2.471 3.868 163 2HB GLN 21 HB1 GLN 21 12.622 -1.820 5.402 164 1HG GLN 21 HG2 GLN 21 10.259 -2.172 4.550 165 2HG GLN 21 HG1 GLN 21 10.959 -3.052 3.191 166 1HE2 GLN 21 HE21 GLN 21 13.181 -3.972 5.197 167 2HE2 GLN 21 HE22 GLN 21 12.446 -5.264 6.015 168 H ARG 22 HN ARG 22 14.510 -0.324 2.627 169 HA ARG 22 HA ARG 22 15.980 0.989 4.675 170 1HB ARG 22 HB2 ARG 22 16.218 0.207 1.942 171 2HB ARG 22 HB1 ARG 22 16.756 1.881 2.066 172 1HG ARG 22 HG2 ARG 22 18.637 0.346 2.448 173 2HG ARG 22 HG1 ARG 22 18.273 1.254 3.915 174 1HD ARG 22 HD2 ARG 22 16.998 -0.657 4.805 175 2HD ARG 22 HD1 ARG 22 17.323 -1.570 3.317 176 HE ARG 22 HE ARG 22 19.721 -0.493 4.616 177 1HH1 ARG 22 HH11 ARG 22 17.455 -3.085 4.370 178 2HH1 ARG 22 HH12 ARG 22 18.591 -4.294 4.861 179 1HH2 ARG 22 HH21 ARG 22 21.208 -2.060 5.263 180 2HH2 ARG 22 HH22 ARG 22 20.716 -3.718 5.354 181 H ALA 23 HN ALA 23 14.186 2.301 1.913 182 HA ALA 23 HA ALA 23 14.690 5.067 2.366 183 1HB ALA 23 HB1 ALA 23 12.690 5.285 0.889 184 2HB ALA 23 HB2 ALA 23 12.354 3.571 1.137 185 3HB ALA 23 HB3 ALA 23 13.824 4.069 0.301 186 H LEU 24 HN LEU 24 11.931 3.012 3.354 187 HA LEU 24 HA LEU 24 10.675 5.136 4.908 188 1HB LEU 24 HB2 LEU 24 10.315 2.124 4.688 189 2HB LEU 24 HB1 LEU 24 9.191 3.198 5.532 190 HG LEU 24 HG LEU 24 10.000 3.525 2.635 191 1HD1 LEU 24 HD11 LEU 24 8.520 1.481 3.281 192 2HD1 LEU 24 HD12 LEU 24 7.996 2.531 1.964 193 3HD1 LEU 24 HD13 LEU 24 7.270 2.692 3.563 194 1HD2 LEU 24 HD21 LEU 24 7.978 5.039 2.710 195 2HD2 LEU 24 HD22 LEU 24 9.385 5.586 3.622 196 3HD2 LEU 24 HD23 LEU 24 8.021 4.862 4.464 197 H SER 25 HN SER 25 12.035 2.006 5.804 198 HA SER 25 HA SER 25 12.399 1.406 8.205 199 1HB SER 25 HB2 SER 25 14.518 2.345 6.376 200 2HB SER 25 HB1 SER 25 15.010 2.146 8.056 201 HG SER 25 HG SER 25 13.666 0.050 7.692 202 H ALA 26 HN ALA 26 11.109 3.098 9.330 203 HA ALA 26 HA ALA 26 12.874 5.168 10.599 204 1HB ALA 26 HB1 ALA 26 10.994 5.911 8.994 205 2HB ALA 26 HB2 ALA 26 10.964 6.634 10.602 206 3HB ALA 26 HB3 ALA 26 9.866 5.313 10.210 207 H ASP 27 HN ASP 27 12.422 5.481 12.912 208 HA ASP 27 HA ASP 27 11.917 3.089 14.373 209 1HB ASP 27 HB2 ASP 27 11.495 5.922 15.363 210 2HB ASP 27 HB1 ASP 27 12.065 4.530 16.284 211 H ARG 28 HN ARG 28 9.771 5.318 12.872 212 HA ARG 28 HA ARG 28 7.457 4.303 14.470 213 1HB ARG 28 HB2 ARG 28 6.333 6.314 13.597 214 2HB ARG 28 HB1 ARG 28 7.863 6.750 14.361 215 1HG ARG 28 HG2 ARG 28 8.965 6.940 12.231 216 2HG ARG 28 HG1 ARG 28 7.580 6.242 11.391 217 1HD ARG 28 HD2 ARG 28 6.326 8.197 11.549 218 2HD ARG 28 HD1 ARG 28 7.160 8.733 13.024 219 HE ARG 28 HE ARG 28 9.097 8.556 10.951 220 1HH1 ARG 28 HH11 ARG 28 6.268 10.335 11.803 221 2HH1 ARG 28 HH12 ARG 28 6.793 11.790 11.029 222 1HH2 ARG 28 HH21 ARG 28 9.794 10.451 9.935 223 2HH2 ARG 28 HH22 ARG 28 8.786 11.859 9.976 224 H TYR 29 HN TYR 29 8.879 2.895 12.140 225 HA TYR 29 HA TYR 29 6.526 2.784 10.289 226 1HB TYR 29 HB2 TYR 29 9.476 2.639 9.928 227 2HB TYR 29 HB1 TYR 29 8.486 1.666 8.848 228 HD1 TYR 29 HD1 TYR 29 10.248 4.220 8.289 229 HD2 TYR 29 HD2 TYR 29 6.054 3.570 8.840 230 HE1 TYR 29 HE1 TYR 29 9.778 6.233 6.979 231 HE2 TYR 29 HE2 TYR 29 5.566 5.594 7.537 232 HH TYR 29 HH TYR 29 6.561 7.580 6.760 233 H GLN 30 HN GLN 30 5.441 0.928 10.225 234 HA GLN 30 HA GLN 30 6.730 -1.493 11.454 235 1HB GLN 30 HB2 GLN 30 3.997 -0.313 11.449 236 2HB GLN 30 HB1 GLN 30 4.084 -2.073 11.385 237 1HG GLN 30 HG2 GLN 30 5.272 -2.202 13.420 238 2HG GLN 30 HG1 GLN 30 5.693 -0.490 13.376 239 1HE2 GLN 30 HE21 GLN 30 3.378 0.865 13.051 240 2HE2 GLN 30 HE22 GLN 30 2.234 0.466 14.241 241 H LEU 31 HN LEU 31 7.777 -1.843 9.379 242 HA LEU 31 HA LEU 31 6.149 -2.318 7.006 243 1HB LEU 31 HB2 LEU 31 9.042 -3.016 7.530 244 2HB LEU 31 HB1 LEU 31 8.285 -2.648 5.982 245 HG LEU 31 HG LEU 31 7.956 -0.511 7.976 246 1HD1 LEU 31 HD11 LEU 31 10.106 -0.819 8.759 247 2HD1 LEU 31 HD12 LEU 31 10.453 0.156 7.331 248 3HD1 LEU 31 HD13 LEU 31 10.647 -1.596 7.272 249 1HD2 LEU 31 HD21 LEU 31 7.485 -0.512 5.450 250 2HD2 LEU 31 HD22 LEU 31 9.234 -0.420 5.242 251 3HD2 LEU 31 HD23 LEU 31 8.378 0.867 6.089 252 H GLN 32 HN GLN 32 5.204 -4.226 6.521 253 HA GLN 32 HA GLN 32 6.147 -6.690 7.940 254 1HB GLN 32 HB2 GLN 32 3.816 -5.970 8.387 255 2HB GLN 32 HB1 GLN 32 3.479 -5.996 6.654 256 1HG GLN 32 HG2 GLN 32 2.687 -8.090 7.512 257 2HG GLN 32 HG1 GLN 32 4.199 -8.440 6.675 258 1HE2 GLN 32 HE21 GLN 32 5.816 -9.475 7.888 259 2HE2 GLN 32 HE22 GLN 32 5.784 -9.650 9.576 260 H VAL 33 HN VAL 33 7.573 -7.650 6.539 261 HA VAL 33 HA VAL 33 7.394 -7.344 3.662 262 HB VAL 33 HB VAL 33 8.984 -9.407 5.186 263 1HG1 VAL 33 HG11 VAL 33 10.624 -8.320 3.351 264 2HG1 VAL 33 HG12 VAL 33 9.080 -8.021 2.555 265 3HG1 VAL 33 HG13 VAL 33 9.553 -9.668 2.976 266 1HG2 VAL 33 HG21 VAL 33 10.522 -7.060 4.900 267 2HG2 VAL 33 HG22 VAL 33 9.912 -7.745 6.407 268 3HG2 VAL 33 HG23 VAL 33 8.969 -6.528 5.546 269 H CYS 34 HN CYS 34 6.365 -8.622 2.229 270 HA CYS 34 HA CYS 34 5.241 -11.234 3.193 271 1HB CYS 34 HB2 CYS 34 4.146 -9.419 1.024 272 2HB CYS 34 HB1 CYS 34 3.327 -10.767 1.811 273 HG CYS 34 HG CYS 34 2.695 -9.286 3.697 274 H GLU 35 HN GLU 35 6.441 -12.840 2.236 275 HA GLU 35 HA GLU 35 8.118 -12.449 -0.049 276 1HB GLU 35 HB2 GLU 35 6.939 -14.976 1.151 277 2HB GLU 35 HB1 GLU 35 8.356 -14.895 0.106 278 1HG GLU 35 HG2 GLU 35 9.452 -13.399 1.794 279 2HG GLU 35 HG1 GLU 35 8.070 -13.666 2.859 280 H SER 36 HN SER 36 4.717 -13.057 0.228 281 HA SER 36 HA SER 36 4.606 -13.518 -2.737 282 1HB SER 36 HB2 SER 36 3.641 -15.530 -2.369 283 2HB SER 36 HB1 SER 36 4.088 -15.345 -0.677 284 HG SER 36 HG SER 36 1.906 -15.624 -0.716 285 H GLY 37 HN GLY 37 1.868 -13.548 -3.044 286 1HA GLY 37 HA2 GLY 37 1.137 -10.776 -2.254 287 2HA GLY 37 HA1 GLY 37 0.409 -11.687 -3.584 288 H GLU 38 HN GLU 38 0.339 -14.124 -1.909 289 HA GLU 38 HA GLU 38 -2.303 -13.863 -0.791 290 1HB GLU 38 HB2 GLU 38 -0.091 -15.847 -1.042 291 2HB GLU 38 HB1 GLU 38 -1.298 -16.162 0.191 292 1HG GLU 38 HG2 GLU 38 -3.085 -15.986 -1.488 293 2HG GLU 38 HG1 GLU 38 -1.886 -15.627 -2.731 294 H MET 39 HN MET 39 0.995 -13.943 0.468 295 HA MET 39 HA MET 39 0.409 -13.950 3.242 296 1HB MET 39 HB2 MET 39 2.652 -12.914 1.496 297 2HB MET 39 HB1 MET 39 2.751 -12.814 3.250 298 1HG MET 39 HG2 MET 39 2.419 -15.257 3.409 299 2HG MET 39 HG1 MET 39 2.330 -15.354 1.650 300 1HE MET 39 HE1 MET 39 5.610 -15.055 4.549 301 2HE MET 39 HE2 MET 39 3.981 -14.394 4.665 302 3HE MET 39 HE3 MET 39 5.299 -13.376 4.087 303 H LEU 40 HN LEU 40 0.542 -11.372 0.844 304 HA LEU 40 HA LEU 40 0.342 -9.159 2.679 305 1HB LEU 40 HB2 LEU 40 1.133 -8.837 0.434 306 2HB LEU 40 HB1 LEU 40 -0.295 -9.617 -0.246 307 HG LEU 40 HG LEU 40 -1.713 -7.788 0.462 308 1HD1 LEU 40 HD11 LEU 40 0.311 -7.386 2.397 309 2HD1 LEU 40 HD12 LEU 40 -1.188 -6.480 2.217 310 3HD1 LEU 40 HD13 LEU 40 0.280 -5.928 1.411 311 1HD2 LEU 40 HD21 LEU 40 -0.170 -5.823 -0.559 312 2HD2 LEU 40 HD22 LEU 40 -0.912 -7.070 -1.562 313 3HD2 LEU 40 HD23 LEU 40 0.774 -7.224 -1.067 314 H LEU 41 HN LEU 41 -2.024 -11.113 0.887 315 HA LEU 41 HA LEU 41 -4.373 -9.646 1.514 316 1HB LEU 41 HB2 LEU 41 -3.914 -12.631 1.181 317 2HB LEU 41 HB1 LEU 41 -5.466 -11.816 1.025 318 HG LEU 41 HG LEU 41 -3.067 -11.100 -0.671 319 1HD1 LEU 41 HD11 LEU 41 -4.659 -13.466 -0.766 320 2HD1 LEU 41 HD12 LEU 41 -3.451 -12.929 -1.933 321 3HD1 LEU 41 HD13 LEU 41 -5.138 -12.453 -2.127 322 1HD2 LEU 41 HD21 LEU 41 -4.972 -10.205 -2.119 323 2HD2 LEU 41 HD22 LEU 41 -4.702 -9.344 -0.603 324 3HD2 LEU 41 HD23 LEU 41 -6.033 -10.494 -0.741 325 H GLU 42 HN GLU 42 -2.857 -12.415 3.240 326 HA GLU 42 HA GLU 42 -4.773 -12.570 5.341 327 1HB GLU 42 HB2 GLU 42 -2.936 -14.199 4.704 328 2HB GLU 42 HB1 GLU 42 -1.799 -13.121 5.518 329 1HG GLU 42 HG2 GLU 42 -3.289 -13.290 7.572 330 2HG GLU 42 HG1 GLU 42 -4.146 -14.588 6.739 331 H TYR 43 HN TYR 43 -1.846 -10.568 5.018 332 HA TYR 43 HA TYR 43 -1.992 -9.506 7.720 333 1HB TYR 43 HB2 TYR 43 0.109 -9.536 6.574 334 2HB TYR 43 HB1 TYR 43 -0.573 -8.727 5.161 335 HD1 TYR 43 HD1 TYR 43 0.845 -8.298 8.477 336 HD2 TYR 43 HD2 TYR 43 -1.310 -6.335 5.327 337 HE1 TYR 43 HE1 TYR 43 1.391 -6.098 9.472 338 HE2 TYR 43 HE2 TYR 43 -0.764 -4.134 6.317 339 HH TYR 43 HH TYR 43 0.080 -3.598 9.260 340 H ALA 44 HN ALA 44 -3.176 -8.437 4.547 341 HA ALA 44 HA ALA 44 -4.190 -5.908 5.678 342 1HB ALA 44 HB1 ALA 44 -4.888 -6.875 2.941 343 2HB ALA 44 HB2 ALA 44 -3.178 -6.606 3.281 344 3HB ALA 44 HB3 ALA 44 -4.332 -5.284 3.461 345 H GLN 45 HN GLN 45 -5.312 -9.133 5.296 346 HA GLN 45 HA GLN 45 -8.126 -8.563 4.841 347 1HB GLN 45 HB2 GLN 45 -6.387 -10.891 5.532 348 2HB GLN 45 HB1 GLN 45 -8.118 -11.047 5.837 349 1HG GLN 45 HG2 GLN 45 -8.630 -10.491 3.546 350 2HG GLN 45 HG1 GLN 45 -6.933 -10.162 3.206 351 1HE2 GLN 45 HE21 GLN 45 -7.305 -11.920 1.481 352 2HE2 GLN 45 HE22 GLN 45 -7.142 -13.541 1.957 353 H THR 46 HN THR 46 -6.129 -8.316 7.646 354 HA THR 46 HA THR 46 -8.627 -8.224 9.306 355 HB THR 46 HB THR 46 -7.595 -9.561 10.966 356 HG1 THR 46 HG1 THR 46 -5.566 -9.347 11.363 357 1HG2 THR 46 HG21 THR 46 -7.889 -10.565 8.459 358 2HG2 THR 46 HG22 THR 46 -7.386 -11.541 9.835 359 3HG2 THR 46 HG23 THR 46 -6.178 -10.896 8.726 360 H HIS 47 HN HIS 47 -6.012 -6.518 8.145 361 HA HIS 47 HA HIS 47 -6.136 -4.599 10.453 362 1HB HIS 47 HB2 HIS 47 -3.821 -5.771 8.922 363 2HB HIS 47 HB1 HIS 47 -3.658 -4.180 9.658 364 HD1 HIS 47 HD1 HIS 47 -2.284 -4.597 11.717 365 HD2 HIS 47 HD2 HIS 47 -5.341 -7.393 11.316 366 HE1 HIS 47 HE1 HIS 47 -2.237 -6.022 13.811 367 H ARG 48 HN ARG 48 -7.422 -4.795 7.654 368 HA ARG 48 HA ARG 48 -6.454 -3.112 5.690 369 1HB ARG 48 HB2 ARG 48 -9.228 -2.474 6.596 370 2HB ARG 48 HB1 ARG 48 -8.650 -2.874 4.984 371 1HG ARG 48 HG2 ARG 48 -8.387 -5.247 5.758 372 2HG ARG 48 HG1 ARG 48 -9.166 -4.785 7.269 373 1HD ARG 48 HD2 ARG 48 -11.001 -3.795 5.586 374 2HD ARG 48 HD1 ARG 48 -10.361 -5.093 4.556 375 HE ARG 48 HE ARG 48 -10.648 -6.175 7.146 376 1HH1 ARG 48 HH11 ARG 48 -12.600 -4.832 4.637 377 2HH1 ARG 48 HH12 ARG 48 -13.986 -5.791 5.032 378 1HH2 ARG 48 HH21 ARG 48 -12.442 -7.429 7.661 379 2HH2 ARG 48 HH22 ARG 48 -13.894 -7.267 6.731 380 H ASP 49 HN ASP 49 -8.388 -1.965 8.423 381 HA ASP 49 HA ASP 49 -7.864 0.833 7.943 382 1HB ASP 49 HB2 ASP 49 -8.855 -0.710 10.359 383 2HB ASP 49 HB1 ASP 49 -9.018 1.034 10.136 384 H GLN 50 HN GLN 50 -6.224 -1.650 9.816 385 HA GLN 50 HA GLN 50 -4.664 0.181 11.449 386 1HB GLN 50 HB2 GLN 50 -4.505 -2.752 10.724 387 2HB GLN 50 HB1 GLN 50 -3.384 -1.990 11.853 388 1HG GLN 50 HG2 GLN 50 -5.284 -1.275 13.258 389 2HG GLN 50 HG1 GLN 50 -6.403 -2.047 12.135 390 1HE2 GLN 50 HE21 GLN 50 -6.903 -4.193 12.590 391 2HE2 GLN 50 HE22 GLN 50 -5.983 -5.219 13.580 392 H ILE 51 HN ILE 51 -4.304 -1.144 8.210 393 HA ILE 51 HA ILE 51 -1.429 -0.754 8.049 394 HB ILE 51 HB ILE 51 -3.518 -0.879 5.851 395 1HG1 ILE 51 HG12 ILE 51 -3.902 -2.945 6.792 396 2HG1 ILE 51 HG11 ILE 51 -2.459 -3.359 5.876 397 1HG2 ILE 51 HG21 ILE 51 -1.243 -2.083 4.924 398 2HG2 ILE 51 HG22 ILE 51 -0.571 -0.825 5.961 399 3HG2 ILE 51 HG23 ILE 51 -1.659 -0.392 4.643 400 1HD1 ILE 51 HD11 ILE 51 -2.623 -2.668 8.822 401 2HD1 ILE 51 HD12 ILE 51 -1.103 -2.787 7.940 402 3HD1 ILE 51 HD13 ILE 51 -2.141 -4.203 8.106 403 H ASP 52 HN ASP 52 -0.462 1.221 7.983 404 HA ASP 52 HA ASP 52 -2.053 3.613 7.334 405 1HB ASP 52 HB2 ASP 52 0.783 3.103 8.273 406 2HB ASP 52 HB1 ASP 52 0.094 4.711 8.063 407 H CYS 53 HN CYS 53 0.470 1.611 5.880 408 HA CYS 53 HA CYS 53 0.098 3.016 3.305 409 1HB CYS 53 HB2 CYS 53 2.130 3.731 5.146 410 2HB CYS 53 HB1 CYS 53 2.928 2.838 3.851 411 HG CYS 53 HG CYS 53 2.487 4.710 2.279 412 H LEU 54 HN LEU 54 0.337 1.513 1.620 413 HA LEU 54 HA LEU 54 1.645 -1.102 2.379 414 1HB LEU 54 HB2 LEU 54 -0.878 -0.865 1.789 415 2HB LEU 54 HB1 LEU 54 -0.323 -0.665 0.127 416 HG LEU 54 HG LEU 54 0.435 -3.016 1.890 417 1HD1 LEU 54 HD11 LEU 54 -1.237 -3.695 -0.352 418 2HD1 LEU 54 HD12 LEU 54 -2.049 -2.468 0.619 419 3HD1 LEU 54 HD13 LEU 54 -1.533 -3.982 1.363 420 1HD2 LEU 54 HD21 LEU 54 1.225 -2.036 -0.754 421 2HD2 LEU 54 HD22 LEU 54 0.653 -3.702 -0.791 422 3HD2 LEU 54 HD23 LEU 54 1.994 -3.253 0.263 423 H ILE 55 HN ILE 55 3.425 -1.781 1.136 424 HA ILE 55 HA ILE 55 4.152 -0.029 -1.186 425 HB ILE 55 HB ILE 55 5.763 -2.084 0.356 426 1HG1 ILE 55 HG12 ILE 55 6.064 0.900 0.578 427 2HG1 ILE 55 HG11 ILE 55 4.895 0.041 1.585 428 1HG2 ILE 55 HG21 ILE 55 6.485 -1.515 -2.000 429 2HG2 ILE 55 HG22 ILE 55 7.679 -1.154 -0.753 430 3HG2 ILE 55 HG23 ILE 55 6.714 0.146 -1.453 431 1HD1 ILE 55 HD11 ILE 55 7.438 0.365 2.349 432 2HD1 ILE 55 HD12 ILE 55 7.635 -1.108 1.404 433 3HD1 ILE 55 HD13 ILE 55 6.516 -1.075 2.768 434 H LEU 56 HN LEU 56 4.311 -0.938 -3.242 435 HA LEU 56 HA LEU 56 4.039 -3.901 -3.480 436 1HB LEU 56 HB2 LEU 56 2.284 -1.740 -4.658 437 2HB LEU 56 HB1 LEU 56 2.309 -3.389 -5.289 438 HG LEU 56 HG LEU 56 1.767 -2.679 -2.398 439 1HD1 LEU 56 HD11 LEU 56 -0.487 -3.847 -3.624 440 2HD1 LEU 56 HD12 LEU 56 0.070 -2.594 -4.733 441 3HD1 LEU 56 HD13 LEU 56 -0.323 -2.183 -3.063 442 1HD2 LEU 56 HD21 LEU 56 0.742 -5.197 -3.043 443 2HD2 LEU 56 HD22 LEU 56 2.206 -4.877 -2.113 444 3HD2 LEU 56 HD23 LEU 56 2.307 -5.145 -3.853 445 H VAL 57 HN VAL 57 4.729 -4.703 -5.557 446 HA VAL 57 HA VAL 57 6.476 -2.770 -7.053 447 HB VAL 57 HB VAL 57 6.757 -5.761 -6.579 448 1HG1 VAL 57 HG11 VAL 57 7.824 -4.132 -8.608 449 2HG1 VAL 57 HG12 VAL 57 8.359 -5.753 -8.163 450 3HG1 VAL 57 HG13 VAL 57 9.130 -4.341 -7.442 451 1HG2 VAL 57 HG21 VAL 57 8.851 -3.991 -5.569 452 2HG2 VAL 57 HG22 VAL 57 7.965 -5.265 -4.730 453 3HG2 VAL 57 HG23 VAL 57 7.283 -3.643 -4.842 454 H ALA 58 HN ALA 58 5.581 -2.368 -9.024 455 HA ALA 58 HA ALA 58 3.459 -3.943 -10.173 456 1HB ALA 58 HB1 ALA 58 4.327 -1.441 -10.408 457 2HB ALA 58 HB2 ALA 58 3.416 -2.220 -11.702 458 3HB ALA 58 HB3 ALA 58 5.175 -2.125 -11.795 459 H ALA 59 HN ALA 59 6.897 -4.277 -10.258 460 HA ALA 59 HA ALA 59 7.309 -5.457 -12.811 461 1HB ALA 59 HB1 ALA 59 8.693 -5.018 -10.372 462 2HB ALA 59 HB2 ALA 59 9.381 -5.540 -11.910 463 3HB ALA 59 HB3 ALA 59 8.850 -6.738 -10.731 464 H ASN 60 HN ASN 60 5.642 -6.627 -10.000 465 HA ASN 60 HA ASN 60 5.878 -9.467 -10.566 466 1HB ASN 60 HB2 ASN 60 4.215 -7.664 -8.833 467 2HB ASN 60 HB1 ASN 60 3.846 -9.388 -8.925 468 1HD2 ASN 60 HD21 ASN 60 4.912 -7.945 -6.564 469 2HD2 ASN 60 HD22 ASN 60 6.413 -8.653 -6.210 470 HA PRO 61 HA PRO 61 2.824 -9.793 -13.721 471 1HB PRO 61 HB2 PRO 61 2.231 -12.450 -13.422 472 2HB PRO 61 HB1 PRO 61 3.724 -11.865 -14.181 473 1HG PRO 61 HG2 PRO 61 3.281 -12.896 -11.423 474 2HG PRO 61 HG1 PRO 61 4.657 -13.133 -12.511 475 1HD PRO 61 HD2 PRO 61 4.670 -11.372 -10.430 476 2HD PRO 61 HD1 PRO 61 5.648 -11.169 -11.900 477 H SER 62 HN SER 62 1.694 -12.066 -11.229 478 HA SER 62 HA SER 62 -1.064 -11.301 -11.515 479 1HB SER 62 HB2 SER 62 -1.346 -12.874 -9.651 480 2HB SER 62 HB1 SER 62 -0.200 -13.518 -10.823 481 HG SER 62 HG SER 62 0.992 -13.697 -9.076 482 H PHE 63 HN PHE 63 1.410 -9.606 -10.032 483 HA PHE 63 HA PHE 63 0.551 -8.774 -7.529 484 1HB PHE 63 HB2 PHE 63 2.524 -7.811 -8.217 485 2HB PHE 63 HB1 PHE 63 1.952 -7.558 -9.863 486 HD1 PHE 63 HD1 PHE 63 1.013 -6.421 -6.397 487 HD2 PHE 63 HD2 PHE 63 1.695 -5.357 -10.500 488 HE1 PHE 63 HE1 PHE 63 0.489 -4.063 -5.876 489 HE2 PHE 63 HE2 PHE 63 1.174 -3.001 -9.980 490 HZ PHE 63 HZ PHE 63 0.565 -2.346 -7.663 491 H ARG 64 HN ARG 64 -0.637 -7.557 -10.672 492 HA ARG 64 HA ARG 64 -2.458 -5.610 -9.737 493 1HB ARG 64 HB2 ARG 64 -2.828 -7.586 -12.027 494 2HB ARG 64 HB1 ARG 64 -3.522 -5.970 -11.918 495 1HG ARG 64 HG2 ARG 64 -0.588 -6.673 -12.225 496 2HG ARG 64 HG1 ARG 64 -1.617 -5.864 -13.401 497 1HD ARG 64 HD2 ARG 64 -1.187 -4.691 -10.653 498 2HD ARG 64 HD1 ARG 64 -0.079 -4.352 -11.994 499 HE ARG 64 HE ARG 64 -2.794 -3.343 -11.761 500 1HH1 ARG 64 HH11 ARG 64 -0.270 -4.333 -13.902 501 2HH1 ARG 64 HH12 ARG 64 -0.955 -3.545 -15.283 502 1HH2 ARG 64 HH21 ARG 64 -3.681 -2.297 -13.552 503 2HH2 ARG 64 HH22 ARG 64 -2.883 -2.388 -15.084 504 H ALA 65 HN ALA 65 -2.757 -9.101 -10.065 505 HA ALA 65 HA ALA 65 -5.530 -9.354 -9.357 506 1HB ALA 65 HB1 ALA 65 -5.029 -11.561 -9.667 507 2HB ALA 65 HB2 ALA 65 -3.694 -11.503 -8.516 508 3HB ALA 65 HB3 ALA 65 -3.447 -10.974 -10.179 509 H VAL 66 HN VAL 66 -2.553 -9.616 -7.396 510 HA VAL 66 HA VAL 66 -3.763 -10.126 -4.877 511 HB VAL 66 HB VAL 66 -1.252 -8.639 -5.715 512 1HG1 VAL 66 HG11 VAL 66 -2.022 -8.223 -3.325 513 2HG1 VAL 66 HG12 VAL 66 -0.415 -8.927 -3.497 514 3HG1 VAL 66 HG13 VAL 66 -1.780 -9.947 -3.044 515 1HG2 VAL 66 HG21 VAL 66 -1.826 -11.521 -4.970 516 2HG2 VAL 66 HG22 VAL 66 -0.200 -10.862 -5.145 517 3HG2 VAL 66 HG23 VAL 66 -1.284 -10.914 -6.534 518 H VAL 67 HN VAL 67 -2.917 -7.024 -6.451 519 HA VAL 67 HA VAL 67 -3.751 -5.305 -4.329 520 HB VAL 67 HB VAL 67 -3.724 -4.976 -7.343 521 1HG1 VAL 67 HG11 VAL 67 -4.775 -3.274 -5.320 522 2HG1 VAL 67 HG12 VAL 67 -4.536 -2.900 -7.027 523 3HG1 VAL 67 HG13 VAL 67 -3.256 -2.561 -5.862 524 1HG2 VAL 67 HG21 VAL 67 -1.517 -5.448 -6.665 525 2HG2 VAL 67 HG22 VAL 67 -1.715 -4.601 -5.130 526 3HG2 VAL 67 HG23 VAL 67 -1.576 -3.686 -6.631 527 H GLN 68 HN GLN 68 -5.547 -6.733 -7.063 528 HA GLN 68 HA GLN 68 -7.981 -5.344 -6.779 529 1HB GLN 68 HB2 GLN 68 -8.630 -6.856 -8.365 530 2HB GLN 68 HB1 GLN 68 -6.952 -7.389 -8.311 531 1HG GLN 68 HG2 GLN 68 -7.577 -9.058 -6.560 532 2HG GLN 68 HG1 GLN 68 -9.257 -8.560 -6.727 533 1HE2 GLN 68 HE21 GLN 68 -10.012 -8.592 -9.188 534 2HE2 GLN 68 HE22 GLN 68 -9.549 -9.968 -10.066 535 H GLN 69 HN GLN 69 -6.803 -8.255 -5.044 536 HA GLN 69 HA GLN 69 -9.178 -8.739 -3.532 537 1HB GLN 69 HB2 GLN 69 -6.255 -9.309 -3.280 538 2HB GLN 69 HB1 GLN 69 -7.262 -9.563 -1.854 539 1HG GLN 69 HG2 GLN 69 -8.103 -10.649 -4.532 540 2HG GLN 69 HG1 GLN 69 -6.971 -11.541 -3.515 541 1HE2 GLN 69 HE21 GLN 69 -9.346 -12.830 -3.909 542 2HE2 GLN 69 HE22 GLN 69 -10.352 -12.716 -2.546 543 H LEU 70 HN LEU 70 -6.270 -6.799 -2.652 544 HA LEU 70 HA LEU 70 -7.152 -5.866 -0.138 545 1HB LEU 70 HB2 LEU 70 -5.523 -4.720 -2.397 546 2HB LEU 70 HB1 LEU 70 -5.857 -3.728 -0.977 547 HG LEU 70 HG LEU 70 -4.962 -6.464 -0.338 548 1HD1 LEU 70 HD11 LEU 70 -3.290 -6.489 -1.869 549 2HD1 LEU 70 HD12 LEU 70 -2.528 -5.293 -0.819 550 3HD1 LEU 70 HD13 LEU 70 -3.463 -4.769 -2.220 551 1HD2 LEU 70 HD21 LEU 70 -4.838 -5.168 1.544 552 2HD2 LEU 70 HD22 LEU 70 -4.662 -3.675 0.622 553 3HD2 LEU 70 HD23 LEU 70 -3.264 -4.717 0.889 554 H CYS 71 HN CYS 71 -7.812 -4.515 -3.381 555 HA CYS 71 HA CYS 71 -9.599 -2.435 -2.463 556 1HB CYS 71 HB2 CYS 71 -9.036 -3.843 -5.082 557 2HB CYS 71 HB1 CYS 71 -10.258 -2.579 -4.966 558 HG CYS 71 HG CYS 71 -8.067 -1.185 -3.853 559 H PHE 72 HN PHE 72 -10.072 -5.735 -3.722 560 HA PHE 72 HA PHE 72 -12.931 -5.710 -3.792 561 1HB PHE 72 HB2 PHE 72 -11.514 -7.349 -4.941 562 2HB PHE 72 HB1 PHE 72 -10.900 -7.937 -3.398 563 HD1 PHE 72 HD1 PHE 72 -12.488 -9.041 -1.772 564 HD2 PHE 72 HD2 PHE 72 -13.592 -8.106 -5.817 565 HE1 PHE 72 HE1 PHE 72 -14.398 -10.615 -1.614 566 HE2 PHE 72 HE2 PHE 72 -15.503 -9.681 -5.660 567 HZ PHE 72 HZ PHE 72 -15.905 -10.936 -3.559 568 H GLU 73 HN GLU 73 -10.664 -6.903 -1.285 569 HA GLU 73 HA GLU 73 -12.699 -7.618 0.619 570 1HB GLU 73 HB2 GLU 73 -9.778 -6.826 0.891 571 2HB GLU 73 HB1 GLU 73 -10.728 -7.566 2.180 572 1HG GLU 73 HG2 GLU 73 -10.597 -8.885 -0.517 573 2HG GLU 73 HG1 GLU 73 -9.268 -9.092 0.627 574 H GLY 74 HN GLY 74 -11.379 -4.595 -0.400 575 1HA GLY 74 HA2 GLY 74 -12.500 -2.507 0.162 576 2HA GLY 74 HA1 GLY 74 -12.958 -3.212 1.713 577 H VAL 75 HN VAL 75 -9.785 -4.039 0.977 578 HA VAL 75 HA VAL 75 -8.732 -2.305 3.083 579 HB VAL 75 HB VAL 75 -7.245 -4.086 1.136 580 1HG1 VAL 75 HG11 VAL 75 -5.667 -3.053 2.500 581 2HG1 VAL 75 HG12 VAL 75 -6.030 -4.505 3.432 582 3HG1 VAL 75 HG13 VAL 75 -6.768 -2.967 3.874 583 1HG2 VAL 75 HG21 VAL 75 -9.308 -4.769 3.091 584 2HG2 VAL 75 HG22 VAL 75 -7.781 -5.587 3.420 585 3HG2 VAL 75 HG23 VAL 75 -8.566 -5.780 1.852 586 H VAL 76 HN VAL 76 -8.764 -0.134 2.334 587 HA VAL 76 HA VAL 76 -7.179 0.410 -0.155 588 HB VAL 76 HB VAL 76 -9.171 2.280 1.141 589 1HG1 VAL 76 HG11 VAL 76 -9.188 3.355 -0.931 590 2HG1 VAL 76 HG12 VAL 76 -8.700 1.902 -1.803 591 3HG1 VAL 76 HG13 VAL 76 -7.516 2.799 -0.852 592 1HG2 VAL 76 HG21 VAL 76 -10.486 1.009 -0.971 593 2HG2 VAL 76 HG22 VAL 76 -10.805 0.763 0.746 594 3HG2 VAL 76 HG23 VAL 76 -9.694 -0.308 -0.106 595 H VAL 77 HN VAL 77 -5.274 1.470 0.175 596 HA VAL 77 HA VAL 77 -4.912 3.236 2.560 597 HB VAL 77 HB VAL 77 -2.734 1.883 2.921 598 1HG1 VAL 77 HG11 VAL 77 -3.892 0.174 4.250 599 2HG1 VAL 77 HG12 VAL 77 -5.393 0.507 3.386 600 3HG1 VAL 77 HG13 VAL 77 -4.686 1.739 4.431 601 1HG2 VAL 77 HG21 VAL 77 -3.004 0.748 0.653 602 2HG2 VAL 77 HG22 VAL 77 -4.299 -0.204 1.378 603 3HG2 VAL 77 HG23 VAL 77 -2.654 -0.336 1.999 604 HA PRO 78 HA PRO 78 -2.226 5.452 -0.192 605 1HB PRO 78 HB2 PRO 78 -0.111 6.101 1.436 606 2HB PRO 78 HB1 PRO 78 -1.683 6.926 1.525 607 1HG PRO 78 HG2 PRO 78 -0.605 4.722 3.206 608 2HG PRO 78 HG1 PRO 78 -1.490 6.175 3.700 609 1HD PRO 78 HD2 PRO 78 -2.710 3.785 3.526 610 2HD PRO 78 HD1 PRO 78 -3.549 5.291 3.083 611 H ALA 79 HN ALA 79 -1.793 3.483 -1.384 612 HA ALA 79 HA ALA 79 0.499 1.832 -0.567 613 1HB ALA 79 HB1 ALA 79 -0.437 0.296 -2.079 614 2HB ALA 79 HB2 ALA 79 -1.173 1.571 -3.051 615 3HB ALA 79 HB3 ALA 79 -1.846 1.166 -1.472 616 H ILE 80 HN ILE 80 2.512 2.306 -1.285 617 HA ILE 80 HA ILE 80 2.904 4.113 -3.598 618 HB ILE 80 HB ILE 80 4.855 2.760 -1.697 619 1HG1 ILE 80 HG12 ILE 80 3.793 5.592 -1.536 620 2HG1 ILE 80 HG11 ILE 80 3.059 4.256 -0.648 621 1HG2 ILE 80 HG21 ILE 80 5.498 5.379 -2.878 622 2HG2 ILE 80 HG22 ILE 80 5.366 4.076 -4.059 623 3HG2 ILE 80 HG23 ILE 80 6.504 3.938 -2.719 624 1HD1 ILE 80 HD11 ILE 80 6.018 4.572 -0.437 625 2HD1 ILE 80 HD12 ILE 80 4.858 4.020 0.772 626 3HD1 ILE 80 HD13 ILE 80 5.014 5.741 0.419 627 H VAL 81 HN VAL 81 3.089 3.172 -5.607 628 HA VAL 81 HA VAL 81 3.776 0.286 -5.778 629 HB VAL 81 HB VAL 81 2.745 2.291 -7.809 630 1HG1 VAL 81 HG11 VAL 81 3.182 0.675 -9.320 631 2HG1 VAL 81 HG12 VAL 81 2.041 -0.366 -8.466 632 3HG1 VAL 81 HG13 VAL 81 3.755 -0.409 -8.052 633 1HG2 VAL 81 HG21 VAL 81 1.413 1.467 -5.629 634 2HG2 VAL 81 HG22 VAL 81 1.100 0.074 -6.665 635 3HG2 VAL 81 HG23 VAL 81 0.605 1.687 -7.181 636 H VAL 82 HN VAL 82 5.514 -0.479 -7.022 637 HA VAL 82 HA VAL 82 7.527 1.577 -7.891 638 HB VAL 82 HB VAL 82 8.144 -1.206 -6.898 639 1HG1 VAL 82 HG11 VAL 82 9.988 0.848 -6.110 640 2HG1 VAL 82 HG12 VAL 82 9.650 1.022 -7.832 641 3HG1 VAL 82 HG13 VAL 82 10.258 -0.509 -7.204 642 1HG2 VAL 82 HG21 VAL 82 6.715 -0.019 -5.205 643 2HG2 VAL 82 HG22 VAL 82 7.922 1.266 -5.155 644 3HG2 VAL 82 HG23 VAL 82 8.346 -0.364 -4.634 645 H GLY 83 HN GLY 83 8.949 0.810 -9.670 646 1HA GLY 83 HA2 GLY 83 9.475 -0.825 -11.404 647 2HA GLY 83 HA1 GLY 83 7.873 -1.512 -11.193 648 H ASP 84 HN ASP 84 8.673 1.918 -11.554 649 HA ASP 84 HA ASP 84 7.360 1.882 -14.248 650 1HB ASP 84 HB2 ASP 84 6.115 3.890 -13.550 651 2HB ASP 84 HB1 ASP 84 5.789 2.565 -12.432 652 H ARG 85 HN ARG 85 8.165 3.571 -15.660 653 HA ARG 85 HA ARG 85 10.921 4.345 -15.167 654 1HB ARG 85 HB2 ARG 85 8.881 5.123 -17.271 655 2HB ARG 85 HB1 ARG 85 10.604 5.491 -17.365 656 1HG ARG 85 HG2 ARG 85 10.978 2.963 -17.045 657 2HG ARG 85 HG1 ARG 85 9.263 2.791 -17.424 658 1HD ARG 85 HD2 ARG 85 10.362 2.571 -19.527 659 2HD ARG 85 HD1 ARG 85 9.790 4.250 -19.508 660 HE ARG 85 HE ARG 85 12.035 4.969 -19.296 661 1HH1 ARG 85 HH11 ARG 85 11.677 1.604 -18.600 662 2HH1 ARG 85 HH12 ARG 85 13.381 1.307 -18.527 663 1HH2 ARG 85 HH21 ARG 85 14.255 4.589 -19.214 664 2HH2 ARG 85 HH22 ARG 85 14.840 2.993 -18.886 665 H ASP 86 HN ASP 86 11.212 6.895 -15.993 666 HA ASP 86 HA ASP 86 10.018 8.453 -13.761 667 1HB ASP 86 HB2 ASP 86 11.803 10.019 -14.293 668 2HB ASP 86 HB1 ASP 86 12.484 8.392 -14.306 669 H SER 87 HN SER 87 9.189 7.730 -16.888 670 HA SER 87 HA SER 87 7.975 10.425 -17.370 671 1HB SER 87 HB2 SER 87 8.926 8.200 -19.191 672 2HB SER 87 HB1 SER 87 7.975 9.565 -19.773 673 HG SER 87 HG SER 87 9.657 10.833 -19.540 674 H GLU 88 HN GLU 88 5.796 10.330 -18.411 675 HA GLU 88 HA GLU 88 4.254 7.961 -17.440 676 1HB GLU 88 HB2 GLU 88 2.348 9.717 -17.683 677 2HB GLU 88 HB1 GLU 88 3.481 9.903 -16.349 678 1HG GLU 88 HG2 GLU 88 4.757 11.556 -17.642 679 2HG GLU 88 HG1 GLU 88 3.677 11.332 -19.020 680 H ASP 89 HN ASP 89 5.655 7.938 -19.985 681 HA ASP 89 HA ASP 89 4.135 8.608 -22.262 682 1HB ASP 89 HB2 ASP 89 5.780 6.099 -21.825 683 2HB ASP 89 HB1 ASP 89 5.511 6.940 -23.352 684 HA PRO 90 HA PRO 90 0.701 5.838 -22.059 685 1HB PRO 90 HB2 PRO 90 -0.056 5.980 -24.680 686 2HB PRO 90 HB1 PRO 90 -0.317 7.313 -23.538 687 1HG PRO 90 HG2 PRO 90 1.739 7.012 -25.651 688 2HG PRO 90 HG1 PRO 90 0.923 8.467 -25.067 689 1HD PRO 90 HD2 PRO 90 3.492 7.703 -24.382 690 2HD PRO 90 HD1 PRO 90 2.479 8.834 -23.459 691 H ASP 91 HN ASP 91 3.410 5.390 -24.218 692 HA ASP 91 HA ASP 91 2.742 2.927 -25.469 693 1HB ASP 91 HB2 ASP 91 5.393 4.060 -24.518 694 2HB ASP 91 HB1 ASP 91 5.221 2.749 -25.686 695 H GLU 92 HN GLU 92 4.087 3.605 -22.261 696 HA GLU 92 HA GLU 92 4.604 0.789 -21.667 697 1HB GLU 92 HB2 GLU 92 4.455 3.201 -19.832 698 2HB GLU 92 HB1 GLU 92 5.346 1.703 -19.549 699 1HG GLU 92 HG2 GLU 92 6.590 2.244 -21.746 700 2HG GLU 92 HG1 GLU 92 5.925 3.867 -21.573 701 HA PRO 93 HA PRO 93 0.497 -0.077 -20.316 702 1HB PRO 93 HB2 PRO 93 1.033 -2.432 -19.037 703 2HB PRO 93 HB1 PRO 93 0.995 -2.285 -20.805 704 1HG PRO 93 HG2 PRO 93 3.325 -2.400 -18.968 705 2HG PRO 93 HG1 PRO 93 3.129 -3.079 -20.589 706 1HD PRO 93 HD2 PRO 93 4.515 -0.776 -20.030 707 2HD PRO 93 HD1 PRO 93 3.794 -1.155 -21.609 708 H ALA 94 HN ALA 94 1.604 1.888 -18.737 709 HA ALA 94 HA ALA 94 1.146 0.888 -15.944 710 1HB ALA 94 HB1 ALA 94 2.787 3.258 -16.097 711 2HB ALA 94 HB2 ALA 94 3.435 2.019 -17.173 712 3HB ALA 94 HB3 ALA 94 3.208 1.668 -15.460 713 H LYS 95 HN LYS 95 -0.684 1.813 -15.124 714 HA LYS 95 HA LYS 95 -1.152 4.706 -15.508 715 1HB LYS 95 HB2 LYS 95 -3.526 4.163 -16.271 716 2HB LYS 95 HB1 LYS 95 -2.255 3.825 -17.444 717 1HG LYS 95 HG2 LYS 95 -2.251 1.439 -16.376 718 2HG LYS 95 HG1 LYS 95 -3.845 1.893 -15.772 719 1HD LYS 95 HD2 LYS 95 -4.365 2.588 -18.203 720 2HD LYS 95 HD1 LYS 95 -2.924 1.670 -18.639 721 1HE LYS 95 HE2 LYS 95 -3.939 -0.303 -17.372 722 2HE LYS 95 HE1 LYS 95 -5.446 0.634 -17.314 723 1HZ LYS 95 HZ1 LYS 95 -5.715 -0.368 -19.329 724 2HZ LYS 95 HZ2 LYS 95 -4.047 -0.489 -19.630 725 3HZ LYS 95 HZ3 LYS 95 -4.845 0.997 -19.837 726 H GLU 96 HN GLU 96 -3.523 5.069 -14.363 727 HA GLU 96 HA GLU 96 -3.109 4.393 -11.580 728 1HB GLU 96 HB2 GLU 96 -4.156 6.466 -12.432 729 2HB GLU 96 HB1 GLU 96 -5.491 5.522 -13.090 730 1HG GLU 96 HG2 GLU 96 -5.930 4.690 -10.731 731 2HG GLU 96 HG1 GLU 96 -4.761 5.885 -10.173 732 H GLN 97 HN GLN 97 -3.097 1.895 -12.418 733 HA GLN 97 HA GLN 97 -5.823 0.874 -11.745 734 1HB GLN 97 HB2 GLN 97 -5.507 0.901 -14.190 735 2HB GLN 97 HB1 GLN 97 -4.045 -0.073 -14.006 736 1HG GLN 97 HG2 GLN 97 -5.354 -1.867 -12.960 737 2HG GLN 97 HG1 GLN 97 -6.819 -0.900 -13.113 738 1HE2 GLN 97 HE21 GLN 97 -7.122 -3.217 -14.406 739 2HE2 GLN 97 HE22 GLN 97 -6.880 -3.075 -16.080 740 H LEU 98 HN LEU 98 -2.498 0.750 -11.150 741 HA LEU 98 HA LEU 98 -2.128 -2.031 -10.517 742 1HB LEU 98 HB2 LEU 98 -0.835 0.514 -9.475 743 2HB LEU 98 HB1 LEU 98 -0.160 -1.109 -9.306 744 HG LEU 98 HG LEU 98 -0.852 0.138 -11.973 745 1HD1 LEU 98 HD11 LEU 98 1.373 0.831 -12.217 746 2HD1 LEU 98 HD12 LEU 98 1.939 -0.202 -10.904 747 3HD1 LEU 98 HD13 LEU 98 1.016 1.259 -10.545 748 1HD2 LEU 98 HD21 LEU 98 1.195 -1.873 -12.000 749 2HD2 LEU 98 HD22 LEU 98 -0.388 -1.908 -12.773 750 3HD2 LEU 98 HD23 LEU 98 -0.202 -2.493 -11.120 751 H TYR 99 HN TYR 99 -3.683 0.631 -9.013 752 HA TYR 99 HA TYR 99 -4.761 -1.041 -6.875 753 1HB TYR 99 HB2 TYR 99 -2.354 -0.167 -6.288 754 2HB TYR 99 HB1 TYR 99 -3.165 1.373 -6.031 755 HD1 TYR 99 HD1 TYR 99 -1.729 -0.052 -3.848 756 HD2 TYR 99 HD2 TYR 99 -5.815 -0.355 -5.155 757 HE1 TYR 99 HE1 TYR 99 -2.398 -0.787 -1.579 758 HE2 TYR 99 HE2 TYR 99 -6.474 -1.092 -2.872 759 HH TYR 99 HH TYR 99 -5.620 -0.894 -0.558 760 H HIS 100 HN HIS 100 -4.961 1.794 -5.431 761 HA HIS 100 HA HIS 100 -7.440 2.576 -6.890 762 1HB HIS 100 HB2 HIS 100 -7.602 4.061 -4.721 763 2HB HIS 100 HB1 HIS 100 -7.895 2.332 -4.605 764 HD2 HIS 100 HD2 HIS 100 -4.965 4.875 -3.742 765 HE1 HIS 100 HE1 HIS 100 -4.266 1.266 -1.670 766 HE2 HIS 100 HE2 HIS 100 -3.474 3.614 -2.051 767 H SER 101 HN SER 101 -7.808 5.123 -6.707 768 HA SER 101 HA SER 101 -5.769 6.373 -8.347 769 1HB SER 101 HB2 SER 101 -7.317 8.334 -8.073 770 2HB SER 101 HB1 SER 101 -8.146 6.861 -8.571 771 HG SER 101 HG SER 101 -9.068 6.722 -6.654 772 H ALA 102 HN ALA 102 -5.813 5.785 -5.069 773 HA ALA 102 HA ALA 102 -4.496 8.356 -4.326 774 1HB ALA 102 HB1 ALA 102 -4.825 6.406 -2.209 775 2HB ALA 102 HB2 ALA 102 -6.323 6.576 -3.121 776 3HB ALA 102 HB3 ALA 102 -5.577 7.992 -2.379 777 H GLU 103 HN GLU 103 -3.746 5.057 -5.070 778 HA GLU 103 HA GLU 103 -1.448 4.560 -3.495 779 1HB GLU 103 HB2 GLU 103 -1.011 2.886 -5.166 780 2HB GLU 103 HB1 GLU 103 -2.766 3.063 -5.096 781 1HG GLU 103 HG2 GLU 103 -2.602 4.704 -7.004 782 2HG GLU 103 HG1 GLU 103 -0.892 4.296 -7.136 783 H LEU 104 HN LEU 104 0.598 5.466 -3.517 784 HA LEU 104 HA LEU 104 1.230 7.550 -5.508 785 1HB LEU 104 HB2 LEU 104 1.949 6.817 -2.828 786 2HB LEU 104 HB1 LEU 104 3.422 6.899 -3.793 787 HG LEU 104 HG LEU 104 2.760 9.150 -4.590 788 1HD1 LEU 104 HD11 LEU 104 0.269 8.348 -3.293 789 2HD1 LEU 104 HD12 LEU 104 0.553 9.628 -4.471 790 3HD1 LEU 104 HD13 LEU 104 0.813 9.936 -2.754 791 1HD2 LEU 104 HD21 LEU 104 3.631 8.404 -1.994 792 2HD2 LEU 104 HD22 LEU 104 2.488 9.730 -1.774 793 3HD2 LEU 104 HD23 LEU 104 3.899 9.945 -2.810 794 H HIS 105 HN HIS 105 3.275 7.412 -6.770 795 HA HIS 105 HA HIS 105 4.006 4.570 -7.396 796 1HB HIS 105 HB2 HIS 105 3.739 7.038 -9.136 797 2HB HIS 105 HB1 HIS 105 4.396 5.503 -9.711 798 HD1 HIS 105 HD1 HIS 105 1.767 6.576 -10.921 799 HD2 HIS 105 HD2 HIS 105 1.911 3.972 -7.671 800 HE1 HIS 105 HE1 HIS 105 -0.477 5.405 -10.843 801 H LEU 106 HN LEU 106 6.219 4.123 -7.716 802 HA LEU 106 HA LEU 106 8.163 6.359 -7.365 803 1HB LEU 106 HB2 LEU 106 7.611 5.413 -5.144 804 2HB LEU 106 HB1 LEU 106 8.044 3.805 -5.731 805 HG LEU 106 HG LEU 106 10.340 4.648 -6.230 806 1HD1 LEU 106 HD11 LEU 106 9.068 7.162 -5.252 807 2HD1 LEU 106 HD12 LEU 106 10.293 6.934 -6.500 808 3HD1 LEU 106 HD13 LEU 106 10.748 6.877 -4.798 809 1HD2 LEU 106 HD21 LEU 106 10.445 3.576 -4.202 810 2HD2 LEU 106 HD22 LEU 106 9.133 4.530 -3.512 811 3HD2 LEU 106 HD23 LEU 106 10.758 5.209 -3.616 812 H GLY 107 HN GLY 107 10.093 6.002 -8.493 813 1HA GLY 107 HA2 GLY 107 10.132 3.891 -10.478 814 2HA GLY 107 HA1 GLY 107 11.432 5.044 -10.179 815 H ILE 108 HN ILE 108 11.679 2.149 -10.623 816 HA ILE 108 HA ILE 108 12.133 0.670 -8.246 817 HB ILE 108 HB ILE 108 13.264 0.653 -11.054 818 1HG1 ILE 108 HG12 ILE 108 10.832 0.255 -10.764 819 2HG1 ILE 108 HG11 ILE 108 11.675 -1.177 -11.361 820 1HG2 ILE 108 HG21 ILE 108 13.656 -1.842 -10.322 821 2HG2 ILE 108 HG22 ILE 108 13.750 -1.130 -8.710 822 3HG2 ILE 108 HG23 ILE 108 14.868 -0.609 -9.972 823 1HD1 ILE 108 HD11 ILE 108 11.706 -1.126 -8.466 824 2HD1 ILE 108 HD12 ILE 108 11.070 -2.365 -9.546 825 3HD1 ILE 108 HD13 ILE 108 10.051 -1.008 -9.064 826 H HIS 109 HN HIS 109 14.284 2.756 -10.170 827 HA HIS 109 HA HIS 109 16.565 2.303 -8.366 828 1HB HIS 109 HB2 HIS 109 17.700 3.740 -9.957 829 2HB HIS 109 HB1 HIS 109 16.641 2.671 -10.881 830 HD1 HIS 109 HD1 HIS 109 14.543 3.711 -11.982 831 HD2 HIS 109 HD2 HIS 109 16.834 6.466 -9.853 832 HE1 HIS 109 HE1 HIS 109 13.644 6.001 -12.579 833 H GLN 110 HN GLN 110 13.763 4.086 -8.152 834 HA GLN 110 HA GLN 110 15.001 6.463 -6.863 835 1HB GLN 110 HB2 GLN 110 12.137 5.706 -7.528 836 2HB GLN 110 HB1 GLN 110 12.649 7.270 -6.895 837 1HG GLN 110 HG2 GLN 110 14.153 7.507 -8.896 838 2HG GLN 110 HG1 GLN 110 13.425 6.038 -9.551 839 1HE2 GLN 110 HE21 GLN 110 12.729 9.414 -8.652 840 2HE2 GLN 110 HE22 GLN 110 11.282 9.527 -9.532 841 H LEU 111 HN LEU 111 14.761 3.543 -5.755 842 HA LEU 111 HA LEU 111 12.920 3.608 -3.562 843 1HB LEU 111 HB2 LEU 111 15.514 2.152 -4.143 844 2HB LEU 111 HB1 LEU 111 14.596 1.849 -2.674 845 HG LEU 111 HG LEU 111 14.208 0.676 -5.229 846 1HD1 LEU 111 HD11 LEU 111 11.981 0.219 -3.479 847 2HD1 LEU 111 HD12 LEU 111 13.454 0.332 -2.519 848 3HD1 LEU 111 HD13 LEU 111 13.345 -0.845 -3.828 849 1HD2 LEU 111 HD21 LEU 111 11.830 2.370 -4.396 850 2HD2 LEU 111 HD22 LEU 111 11.853 1.189 -5.703 851 3HD2 LEU 111 HD23 LEU 111 12.820 2.655 -5.826 852 H GLU 112 HN GLU 112 12.993 5.395 -2.336 853 HA GLU 112 HA GLU 112 14.767 5.755 -0.199 854 1HB GLU 112 HB2 GLU 112 16.059 7.778 -1.161 855 2HB GLU 112 HB1 GLU 112 16.572 6.182 -1.706 856 1HG GLU 112 HG2 GLU 112 15.383 6.426 -3.785 857 2HG GLU 112 HG1 GLU 112 14.583 7.893 -3.219 858 H GLN 113 HN GLN 113 12.600 7.093 -2.561 859 HA GLN 113 HA GLN 113 11.876 9.450 -0.916 860 1HB GLN 113 HB2 GLN 113 10.941 8.239 -3.530 861 2HB GLN 113 HB1 GLN 113 10.234 9.696 -2.835 862 1HG GLN 113 HG2 GLN 113 12.298 10.885 -2.978 863 2HG GLN 113 HG1 GLN 113 13.199 9.412 -3.339 864 1HE2 GLN 113 HE21 GLN 113 13.946 10.368 -5.381 865 2HE2 GLN 113 HE22 GLN 113 12.903 10.496 -6.713 866 H LEU 114 HN LEU 114 11.189 6.177 -0.866 867 HA LEU 114 HA LEU 114 8.442 5.845 -0.640 868 1HB LEU 114 HB2 LEU 114 10.804 4.701 0.840 869 2HB LEU 114 HB1 LEU 114 9.165 4.109 1.119 870 HG LEU 114 HG LEU 114 9.612 4.333 -1.710 871 1HD1 LEU 114 HD11 LEU 114 11.558 2.493 -0.297 872 2HD1 LEU 114 HD12 LEU 114 12.021 4.056 -0.968 873 3HD1 LEU 114 HD13 LEU 114 11.423 2.784 -2.032 874 1HD2 LEU 114 HD21 LEU 114 9.513 1.687 -0.369 875 2HD2 LEU 114 HD22 LEU 114 8.523 2.321 -1.685 876 3HD2 LEU 114 HD23 LEU 114 8.175 2.782 -0.018 877 HA PRO 115 HA PRO 115 8.627 7.227 3.972 878 1HB PRO 115 HB2 PRO 115 10.565 9.082 4.579 879 2HB PRO 115 HB1 PRO 115 10.777 7.338 4.829 880 1HG PRO 115 HG2 PRO 115 11.708 9.043 2.557 881 2HG PRO 115 HG1 PRO 115 12.575 7.773 3.438 882 1HD PRO 115 HD2 PRO 115 11.494 7.303 1.046 883 2HD PRO 115 HD1 PRO 115 11.483 6.056 2.309 884 H TYR 116 HN TYR 116 10.071 9.712 1.844 885 HA TYR 116 HA TYR 116 8.203 11.765 2.575 886 1HB TYR 116 HB2 TYR 116 9.800 12.865 1.410 887 2HB TYR 116 HB1 TYR 116 10.491 11.325 0.920 888 HD1 TYR 116 HD1 TYR 116 10.779 11.054 -1.344 889 HD2 TYR 116 HD2 TYR 116 7.449 13.371 0.063 890 HE1 TYR 116 HE1 TYR 116 10.102 11.490 -3.689 891 HE2 TYR 116 HE2 TYR 116 6.765 13.805 -2.280 892 HH TYR 116 HH TYR 116 7.263 13.543 -4.416 893 H GLN 117 HN GLN 117 8.194 9.185 0.171 894 HA GLN 117 HA GLN 117 5.793 10.041 -1.224 895 1HB GLN 117 HB2 GLN 117 7.432 7.514 -0.968 896 2HB GLN 117 HB1 GLN 117 5.906 7.493 -1.849 897 1HG GLN 117 HG2 GLN 117 8.000 9.573 -2.456 898 2HG GLN 117 HG1 GLN 117 8.083 7.969 -3.184 899 1HE2 GLN 117 HE21 GLN 117 7.245 10.863 -4.176 900 2HE2 GLN 117 HE22 GLN 117 5.824 10.547 -5.051 901 H VAL 118 HN VAL 118 6.532 7.936 1.520 902 HA VAL 118 HA VAL 118 3.929 6.808 1.904 903 HB VAL 118 HB VAL 118 6.435 7.242 3.483 904 1HG1 VAL 118 HG11 VAL 118 4.629 7.815 5.101 905 2HG1 VAL 118 HG12 VAL 118 5.431 6.302 5.519 906 3HG1 VAL 118 HG13 VAL 118 3.846 6.275 4.745 907 1HG2 VAL 118 HG21 VAL 118 6.286 4.805 3.685 908 2HG2 VAL 118 HG22 VAL 118 6.078 5.280 2.001 909 3HG2 VAL 118 HG23 VAL 118 4.676 4.827 2.970 910 H ASP 119 HN ASP 119 5.472 9.641 3.525 911 HA ASP 119 HA ASP 119 3.147 10.407 5.003 912 1HB ASP 119 HB2 ASP 119 5.435 12.035 3.817 913 2HB ASP 119 HB1 ASP 119 4.339 12.619 5.068 914 H ALA 120 HN ALA 120 4.271 11.239 1.722 915 HA ALA 120 HA ALA 120 2.107 13.074 1.134 916 1HB ALA 120 HB1 ALA 120 4.290 13.039 -0.028 917 2HB ALA 120 HB2 ALA 120 2.975 12.794 -1.177 918 3HB ALA 120 HB3 ALA 120 3.941 11.421 -0.639 919 H ALA 121 HN ALA 121 2.666 9.595 0.553 920 HA ALA 121 HA ALA 121 0.333 9.096 -1.017 921 1HB ALA 121 HB1 ALA 121 1.571 7.200 1.000 922 2HB ALA 121 HB2 ALA 121 2.402 7.630 -0.494 923 3HB ALA 121 HB3 ALA 121 0.847 6.803 -0.558 924 H LEU 122 HN LEU 122 0.873 9.041 2.502 925 HA LEU 122 HA LEU 122 -1.645 8.084 3.361 926 1HB LEU 122 HB2 LEU 122 0.449 9.973 4.413 927 2HB LEU 122 HB1 LEU 122 -1.013 9.661 5.351 928 HG LEU 122 HG LEU 122 0.395 7.288 4.253 929 1HD1 LEU 122 HD11 LEU 122 1.703 9.294 5.919 930 2HD1 LEU 122 HD12 LEU 122 2.391 7.869 5.142 931 3HD1 LEU 122 HD13 LEU 122 1.620 7.728 6.723 932 1HD2 LEU 122 HD21 LEU 122 -0.159 6.828 6.870 933 2HD2 LEU 122 HD22 LEU 122 -1.338 6.598 5.579 934 3HD2 LEU 122 HD23 LEU 122 -1.343 8.088 6.521 935 H ALA 123 HN ALA 123 -0.595 11.493 3.078 936 HA ALA 123 HA ALA 123 -3.118 12.669 3.590 937 1HB ALA 123 HB1 ALA 123 -2.090 14.626 2.523 938 2HB ALA 123 HB2 ALA 123 -0.895 13.592 1.739 939 3HB ALA 123 HB3 ALA 123 -0.881 13.783 3.491 940 H GLU 124 HN GLU 124 -1.624 11.628 0.516 941 HA GLU 124 HA GLU 124 -3.696 12.483 -1.238 942 1HB GLU 124 HB2 GLU 124 -1.338 11.557 -1.693 943 2HB GLU 124 HB1 GLU 124 -2.049 9.955 -1.494 944 1HG GLU 124 HG2 GLU 124 -2.195 10.339 -3.819 945 2HG GLU 124 HG1 GLU 124 -3.806 10.748 -3.228 946 H PHE 125 HN PHE 125 -3.232 9.370 0.472 947 HA PHE 125 HA PHE 125 -5.636 8.133 -0.516 948 1HB PHE 125 HB2 PHE 125 -3.803 6.856 0.446 949 2HB PHE 125 HB1 PHE 125 -3.954 7.721 1.978 950 HD1 PHE 125 HD1 PHE 125 -5.116 6.637 3.679 951 HD2 PHE 125 HD2 PHE 125 -6.163 5.851 -0.412 952 HE1 PHE 125 HE1 PHE 125 -6.846 5.027 4.433 953 HE2 PHE 125 HE2 PHE 125 -7.889 4.249 0.346 954 HZ PHE 125 HZ PHE 125 -8.233 3.828 2.763 955 H LEU 126 HN LEU 126 -4.921 9.848 2.548 956 HA LEU 126 HA LEU 126 -7.504 9.610 3.717 957 1HB LEU 126 HB2 LEU 126 -5.339 11.727 3.877 958 2HB LEU 126 HB1 LEU 126 -6.714 11.653 4.978 959 HG LEU 126 HG LEU 126 -4.755 9.379 4.554 960 1HD1 LEU 126 HD11 LEU 126 -3.660 11.324 5.603 961 2HD1 LEU 126 HD12 LEU 126 -3.866 10.016 6.769 962 3HD1 LEU 126 HD13 LEU 126 -4.951 11.407 6.803 963 1HD2 LEU 126 HD21 LEU 126 -6.058 8.173 5.977 964 2HD2 LEU 126 HD22 LEU 126 -7.322 9.329 5.557 965 3HD2 LEU 126 HD23 LEU 126 -6.362 9.563 7.018 966 H ARG 127 HN ARG 127 -6.119 12.244 1.738 967 HA ARG 127 HA ARG 127 -8.512 13.841 1.679 968 1HB ARG 127 HB2 ARG 127 -6.037 14.409 1.231 969 2HB ARG 127 HB1 ARG 127 -6.306 13.770 -0.390 970 1HG ARG 127 HG2 ARG 127 -6.685 16.141 -0.506 971 2HG ARG 127 HG1 ARG 127 -8.272 15.371 -0.574 972 1HD ARG 127 HD2 ARG 127 -8.560 15.753 1.861 973 2HD ARG 127 HD1 ARG 127 -6.980 16.558 1.908 974 HE ARG 127 HE ARG 127 -7.971 18.434 0.873 975 1HH1 ARG 127 HH11 ARG 127 -9.856 15.576 0.422 976 2HH1 ARG 127 HH12 ARG 127 -11.195 16.415 -0.287 977 1HH2 ARG 127 HH21 ARG 127 -9.707 19.541 -0.043 978 2HH2 ARG 127 HH22 ARG 127 -11.112 18.664 -0.549 979 H LEU 128 HN LEU 128 -7.179 11.404 -0.570 980 HA LEU 128 HA LEU 128 -9.352 11.754 -2.505 981 1HB LEU 128 HB2 LEU 128 -6.815 10.951 -2.679 982 2HB LEU 128 HB1 LEU 128 -7.564 9.372 -2.440 983 HG LEU 128 HG LEU 128 -9.054 9.745 -4.338 984 1HD1 LEU 128 HD11 LEU 128 -8.281 12.487 -3.901 985 2HD1 LEU 128 HD12 LEU 128 -9.558 11.852 -4.941 986 3HD1 LEU 128 HD13 LEU 128 -7.919 12.033 -5.568 987 1HD2 LEU 128 HD21 LEU 128 -7.468 9.142 -5.853 988 2HD2 LEU 128 HD22 LEU 128 -6.351 9.263 -4.496 989 3HD2 LEU 128 HD23 LEU 128 -6.540 10.619 -5.606 990 H ALA 129 HN ALA 129 -8.813 9.798 0.323 991 HA ALA 129 HA ALA 129 -10.487 7.572 -0.310 992 1HB ALA 129 HB1 ALA 129 -10.591 7.507 2.268 993 2HB ALA 129 HB2 ALA 129 -9.572 8.946 2.212 994 3HB ALA 129 HB3 ALA 129 -8.997 7.428 1.520 995 HA PRO 130 HA PRO 130 -11.967 6.290 0.145 996 1HB PRO 130 HB2 PRO 130 -14.161 5.638 -1.356 997 2HB PRO 130 HB1 PRO 130 -14.170 5.632 0.421 998 1HG PRO 130 HG2 PRO 130 -15.205 7.687 -1.470 999 2HG PRO 130 HG1 PRO 130 -15.891 7.108 0.056 1000 1HD PRO 130 HD2 PRO 130 -14.544 9.458 -0.184 1001 2HD PRO 130 HD1 PRO 130 -14.605 8.510 1.319 1002 H VAL 131 HN VAL 131 -11.016 5.379 -1.746 1003 HA VAL 131 HA VAL 131 -10.990 7.197 -4.124 1004 HB VAL 131 HB VAL 131 -8.827 5.870 -4.582 1005 1HG1 VAL 131 HG11 VAL 131 -9.359 8.154 -3.104 1006 2HG1 VAL 131 HG12 VAL 131 -7.766 7.632 -3.652 1007 3HG1 VAL 131 HG13 VAL 131 -8.323 7.212 -2.032 1008 1HG2 VAL 131 HG21 VAL 131 -9.504 4.057 -2.905 1009 2HG2 VAL 131 HG22 VAL 131 -9.085 5.212 -1.640 1010 3HG2 VAL 131 HG23 VAL 131 -7.851 4.657 -2.770 1011 H GLU 132 HN GLU 132 -10.750 6.033 -6.242 1012 HA GLU 132 HA GLU 132 -12.840 4.064 -6.544 1013 1HB GLU 132 HB2 GLU 132 -10.724 5.274 -8.333 1014 2HB GLU 132 HB1 GLU 132 -11.953 4.158 -8.937 1015 1HG GLU 132 HG2 GLU 132 -13.719 5.658 -8.016 1016 2HG GLU 132 HG1 GLU 132 -12.463 6.796 -7.529 1017 H THR 133 HN THR 133 -12.265 2.156 -5.411 1018 HA THR 133 HA THR 133 -9.753 0.766 -6.218 1019 HB THR 133 HB THR 133 -10.829 -0.766 -4.278 1020 HG1 THR 133 HG1 THR 133 -12.686 0.630 -4.223 1021 1HG2 THR 133 HG21 THR 133 -9.266 0.214 -2.854 1022 2HG2 THR 133 HG22 THR 133 -9.585 1.840 -3.457 1023 3HG2 THR 133 HG23 THR 133 -8.667 0.700 -4.439 1024 H MET 134 HN MET 134 -11.517 0.778 -8.305 1025 HA MET 134 HA MET 134 -13.509 -1.273 -8.349 1026 1HB MET 134 HB2 MET 134 -11.769 -0.091 -10.537 1027 2HB MET 134 HB1 MET 134 -13.279 -0.966 -10.799 1028 1HG MET 134 HG2 MET 134 -12.972 1.600 -9.210 1029 2HG MET 134 HG1 MET 134 -13.686 1.462 -10.816 1030 1HE MET 134 HE1 MET 134 -17.019 1.882 -9.791 1031 2HE MET 134 HE2 MET 134 -16.500 0.800 -11.081 1032 3HE MET 134 HE3 MET 134 -15.580 2.265 -10.748 1033 H ALA 135 HN ALA 135 -10.092 -1.495 -8.252 1034 HA ALA 135 HA ALA 135 -8.707 -3.418 -8.230 1035 1HB ALA 135 HB1 ALA 135 -11.033 -4.269 -7.293 1036 2HB ALA 135 HB2 ALA 135 -9.785 -5.431 -7.742 1037 3HB ALA 135 HB3 ALA 135 -11.120 -5.099 -8.847 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -2.975 6.310 20.150 2 2H MET 1 HT2 MET 1 -3.508 7.917 20.006 3 3H MET 1 HT3 MET 1 -3.077 7.296 21.527 4 HA MET 1 HA MET 1 -1.410 8.798 20.182 5 1HB MET 1 HB2 MET 1 0.354 7.420 21.418 6 2HB MET 1 HB1 MET 1 -1.036 7.915 22.390 7 1HG MET 1 HG2 MET 1 -2.088 5.722 22.032 8 2HG MET 1 HG1 MET 1 -0.732 5.224 21.024 9 1HE MET 1 HE1 MET 1 1.099 3.330 22.777 10 2HE MET 1 HE2 MET 1 2.131 4.759 22.748 11 3HE MET 1 HE3 MET 1 1.016 4.458 21.418 12 H LEU 2 HN LEU 2 -0.044 8.723 18.393 13 HA LEU 2 HA LEU 2 -0.232 6.422 16.574 14 1HB LEU 2 HB2 LEU 2 -0.187 8.935 16.020 15 2HB LEU 2 HB1 LEU 2 1.544 8.862 16.352 16 HG LEU 2 HG LEU 2 0.288 6.890 14.460 17 1HD1 LEU 2 HD11 LEU 2 1.498 9.447 13.456 18 2HD1 LEU 2 HD12 LEU 2 -0.202 9.422 13.926 19 3HD1 LEU 2 HD13 LEU 2 0.376 8.352 12.647 20 1HD2 LEU 2 HD21 LEU 2 2.789 7.655 13.555 21 2HD2 LEU 2 HD22 LEU 2 2.457 6.231 14.541 22 3HD2 LEU 2 HD23 LEU 2 2.970 7.734 15.307 23 H SER 3 HN SER 3 0.880 4.713 17.657 24 HA SER 3 HA SER 3 3.459 4.922 18.891 25 1HB SER 3 HB2 SER 3 2.639 2.412 17.529 26 2HB SER 3 HB1 SER 3 3.123 2.668 19.202 27 HG SER 3 HG SER 3 1.098 2.875 19.700 28 H GLN 4 HN GLN 4 2.697 3.283 15.824 29 HA GLN 4 HA GLN 4 5.088 4.510 14.547 30 1HB GLN 4 HB2 GLN 4 4.582 1.526 14.840 31 2HB GLN 4 HB1 GLN 4 5.921 2.252 13.950 32 1HG GLN 4 HG2 GLN 4 6.551 3.419 16.147 33 2HG GLN 4 HG1 GLN 4 5.417 2.318 16.931 34 1HE2 GLN 4 HE21 GLN 4 8.491 2.459 17.018 35 2HE2 GLN 4 HE22 GLN 4 8.985 0.883 16.624 36 H ILE 5 HN ILE 5 4.917 4.490 12.233 37 HA ILE 5 HA ILE 5 2.250 4.433 11.143 38 HB ILE 5 HB ILE 5 4.998 4.396 9.840 39 1HG1 ILE 5 HG12 ILE 5 3.201 6.709 10.629 40 2HG1 ILE 5 HG11 ILE 5 4.672 6.233 11.481 41 1HG2 ILE 5 HG21 ILE 5 3.021 3.892 8.338 42 2HG2 ILE 5 HG22 ILE 5 3.923 5.344 7.901 43 3HG2 ILE 5 HG23 ILE 5 2.389 5.481 8.764 44 1HD1 ILE 5 HD11 ILE 5 5.114 6.544 8.613 45 2HD1 ILE 5 HD12 ILE 5 5.992 7.260 9.963 46 3HD1 ILE 5 HD13 ILE 5 4.525 8.029 9.357 47 H ALA 6 HN ALA 6 1.182 2.729 10.058 48 HA ALA 6 HA ALA 6 2.470 0.078 10.189 49 1HB ALA 6 HB1 ALA 6 -0.289 0.899 9.269 50 2HB ALA 6 HB2 ALA 6 0.132 0.660 10.964 51 3HB ALA 6 HB3 ALA 6 0.216 -0.692 9.836 52 H ILE 7 HN ILE 7 3.641 -0.554 8.444 53 HA ILE 7 HA ILE 7 2.670 0.268 5.727 54 HB ILE 7 HB ILE 7 5.473 0.097 6.874 55 1HG1 ILE 7 HG12 ILE 7 3.675 2.345 5.939 56 2HG1 ILE 7 HG11 ILE 7 4.393 2.126 7.534 57 1HG2 ILE 7 HG21 ILE 7 4.702 0.947 4.075 58 2HG2 ILE 7 HG22 ILE 7 5.230 -0.693 4.457 59 3HG2 ILE 7 HG23 ILE 7 6.322 0.667 4.712 60 1HD1 ILE 7 HD11 ILE 7 6.026 2.528 5.017 61 2HD1 ILE 7 HD12 ILE 7 6.603 2.562 6.682 62 3HD1 ILE 7 HD13 ILE 7 5.550 3.847 6.085 63 H CYS 8 HN CYS 8 2.421 -1.433 4.334 64 HA CYS 8 HA CYS 8 3.596 -4.074 5.140 65 1HB CYS 8 HB2 CYS 8 1.098 -3.689 5.429 66 2HB CYS 8 HB1 CYS 8 1.001 -3.537 3.675 67 HG CYS 8 HG CYS 8 1.065 -5.996 3.510 68 H ILE 9 HN ILE 9 5.180 -4.603 3.607 69 HA ILE 9 HA ILE 9 4.679 -3.645 0.809 70 HB ILE 9 HB ILE 9 6.734 -2.878 1.890 71 1HG1 ILE 9 HG12 ILE 9 7.176 -5.078 -0.154 72 2HG1 ILE 9 HG11 ILE 9 6.901 -3.372 -0.508 73 1HG2 ILE 9 HG21 ILE 9 8.297 -5.155 2.157 74 2HG2 ILE 9 HG22 ILE 9 6.727 -5.666 2.776 75 3HG2 ILE 9 HG23 ILE 9 7.542 -4.273 3.483 76 1HD1 ILE 9 HD11 ILE 9 9.299 -4.618 0.847 77 2HD1 ILE 9 HD12 ILE 9 8.978 -2.883 0.883 78 3HD1 ILE 9 HD13 ILE 9 9.262 -3.697 -0.654 79 H TRP 10 HN TRP 10 4.909 -5.069 -0.905 80 HA TRP 10 HA TRP 10 5.177 -7.967 -0.173 81 1HB TRP 10 HB2 TRP 10 2.885 -7.565 -0.773 82 2HB TRP 10 HB1 TRP 10 3.363 -6.608 -2.176 83 HD1 TRP 10 HD1 TRP 10 5.232 -9.812 -1.366 84 HE1 TRP 10 HE1 TRP 10 4.751 -11.557 -3.206 85 HE3 TRP 10 HE3 TRP 10 1.566 -7.377 -3.934 86 HZ2 TRP 10 HZ2 TRP 10 3.023 -11.872 -5.472 87 HZ3 TRP 10 HZ3 TRP 10 0.530 -8.406 -5.922 88 HH2 TRP 10 HH2 TRP 10 1.246 -10.654 -6.698 89 H VAL 11 HN VAL 11 7.374 -8.074 -0.733 90 HA VAL 11 HA VAL 11 7.954 -7.696 -3.639 91 HB VAL 11 HB VAL 11 8.806 -5.746 -2.583 92 1HG1 VAL 11 HG11 VAL 11 8.524 -6.374 -0.272 93 2HG1 VAL 11 HG12 VAL 11 10.209 -5.903 -0.506 94 3HG1 VAL 11 HG13 VAL 11 9.774 -7.611 -0.405 95 1HG2 VAL 11 HG21 VAL 11 11.014 -7.821 -2.696 96 2HG2 VAL 11 HG22 VAL 11 11.280 -6.083 -2.640 97 3HG2 VAL 11 HG23 VAL 11 10.464 -6.805 -4.027 98 H GLU 12 HN GLU 12 8.768 -9.554 -4.450 99 HA GLU 12 HA GLU 12 9.631 -11.732 -2.677 100 1HB GLU 12 HB2 GLU 12 9.160 -11.355 -5.639 101 2HB GLU 12 HB1 GLU 12 9.858 -12.848 -5.005 102 1HG GLU 12 HG2 GLU 12 7.926 -13.212 -3.585 103 2HG GLU 12 HG1 GLU 12 7.252 -11.646 -4.032 104 H SER 13 HN SER 13 11.134 -9.073 -4.012 105 HA SER 13 HA SER 13 13.769 -10.458 -4.294 106 1HB SER 13 HB2 SER 13 12.614 -8.904 -6.075 107 2HB SER 13 HB1 SER 13 13.158 -7.598 -5.026 108 HG SER 13 HG SER 13 15.238 -9.044 -5.196 109 H THR 14 HN THR 14 15.013 -10.303 -2.463 110 HA THR 14 HA THR 14 14.387 -8.695 -0.204 111 HB THR 14 HB THR 14 17.206 -9.496 -0.713 112 HG1 THR 14 HG1 THR 14 16.672 -11.376 -1.432 113 1HG2 THR 14 HG21 THR 14 17.028 -9.291 1.529 114 2HG2 THR 14 HG22 THR 14 16.182 -10.838 1.478 115 3HG2 THR 14 HG23 THR 14 15.265 -9.330 1.471 116 H ALA 15 HN ALA 15 16.618 -8.108 -2.925 117 HA ALA 15 HA ALA 15 17.934 -5.811 -1.914 118 1HB ALA 15 HB1 ALA 15 17.107 -6.049 -4.795 119 2HB ALA 15 HB2 ALA 15 18.162 -7.285 -4.107 120 3HB ALA 15 HB3 ALA 15 18.674 -5.598 -4.125 121 H ILE 16 HN ILE 16 14.866 -6.130 -3.662 122 HA ILE 16 HA ILE 16 14.301 -3.278 -3.729 123 HB ILE 16 HB ILE 16 12.849 -5.878 -4.202 124 1HG1 ILE 16 HG12 ILE 16 12.622 -4.068 -6.350 125 2HG1 ILE 16 HG11 ILE 16 14.270 -3.881 -5.747 126 1HG2 ILE 16 HG21 ILE 16 11.589 -3.125 -4.396 127 2HG2 ILE 16 HG22 ILE 16 11.240 -4.297 -3.129 128 3HG2 ILE 16 HG23 ILE 16 10.826 -4.662 -4.804 129 1HD1 ILE 16 HD11 ILE 16 14.336 -5.645 -7.372 130 2HD1 ILE 16 HD12 ILE 16 12.927 -6.433 -6.663 131 3HD1 ILE 16 HD13 ILE 16 14.459 -6.410 -5.789 132 H LEU 17 HN LEU 17 13.379 -6.039 -1.721 133 HA LEU 17 HA LEU 17 11.610 -4.698 0.072 134 1HB LEU 17 HB2 LEU 17 11.640 -7.079 -0.042 135 2HB LEU 17 HB1 LEU 17 13.387 -7.140 0.155 136 HG LEU 17 HG LEU 17 11.867 -7.753 2.183 137 1HD1 LEU 17 HD11 LEU 17 13.846 -7.619 3.223 138 2HD1 LEU 17 HD12 LEU 17 13.694 -5.868 3.328 139 3HD1 LEU 17 HD13 LEU 17 14.447 -6.601 1.913 140 1HD2 LEU 17 HD21 LEU 17 10.609 -6.132 3.113 141 2HD2 LEU 17 HD22 LEU 17 10.975 -5.118 1.725 142 3HD2 LEU 17 HD23 LEU 17 11.983 -5.030 3.168 143 H GLN 18 HN GLN 18 15.139 -5.330 0.225 144 HA GLN 18 HA GLN 18 15.578 -4.076 2.766 145 1HB GLN 18 HB2 GLN 18 17.278 -4.562 0.300 146 2HB GLN 18 HB1 GLN 18 17.945 -3.907 1.795 147 1HG GLN 18 HG2 GLN 18 17.051 -5.932 2.995 148 2HG GLN 18 HG1 GLN 18 16.608 -6.601 1.425 149 1HE2 GLN 18 HE21 GLN 18 19.284 -5.992 3.593 150 2HE2 GLN 18 HE22 GLN 18 20.493 -6.664 2.610 151 H ASP 19 HN ASP 19 15.678 -2.839 -0.578 152 HA ASP 19 HA ASP 19 16.559 -0.196 -0.067 153 1HB ASP 19 HB2 ASP 19 14.582 -1.362 -2.058 154 2HB ASP 19 HB1 ASP 19 15.241 0.268 -2.186 155 H CYS 20 HN CYS 20 13.287 -1.594 0.037 156 HA CYS 20 HA CYS 20 11.821 0.790 0.608 157 1HB CYS 20 HB2 CYS 20 10.555 -1.099 0.034 158 2HB CYS 20 HB1 CYS 20 11.538 -2.177 1.022 159 HG CYS 20 HG CYS 20 10.257 -1.445 3.121 160 H GLN 21 HN GLN 21 12.834 -1.776 2.837 161 HA GLN 21 HA GLN 21 12.258 -0.510 5.267 162 1HB GLN 21 HB2 GLN 21 14.520 -2.387 4.513 163 2HB GLN 21 HB1 GLN 21 13.915 -2.127 6.152 164 1HG GLN 21 HG2 GLN 21 11.649 -2.832 5.381 165 2HG GLN 21 HG1 GLN 21 12.339 -3.223 3.807 166 1HE2 GLN 21 HE21 GLN 21 11.133 -5.009 5.893 167 2HE2 GLN 21 HE22 GLN 21 12.321 -6.177 6.214 168 H ARG 22 HN ARG 22 15.102 -0.221 3.162 169 HA ARG 22 HA ARG 22 16.774 1.269 4.930 170 1HB ARG 22 HB2 ARG 22 16.761 0.309 2.288 171 2HB ARG 22 HB1 ARG 22 16.948 2.058 2.133 172 1HG ARG 22 HG2 ARG 22 19.138 0.813 2.381 173 2HG ARG 22 HG1 ARG 22 18.871 2.049 3.609 174 1HD ARG 22 HD2 ARG 22 18.763 0.516 5.289 175 2HD ARG 22 HD1 ARG 22 17.782 -0.601 4.320 176 HE ARG 22 HE ARG 22 19.783 -1.636 3.587 177 1HH1 ARG 22 HH11 ARG 22 20.368 1.471 4.984 178 2HH1 ARG 22 HH12 ARG 22 22.092 1.329 4.893 179 1HH2 ARG 22 HH21 ARG 22 22.031 -1.823 3.462 180 2HH2 ARG 22 HH22 ARG 22 23.032 -0.532 4.035 181 H ALA 23 HN ALA 23 14.622 2.473 2.316 182 HA ALA 23 HA ALA 23 14.831 5.242 3.110 183 1HB ALA 23 HB1 ALA 23 12.398 4.145 1.750 184 2HB ALA 23 HB2 ALA 23 13.950 3.943 0.934 185 3HB ALA 23 HB3 ALA 23 13.368 5.557 1.331 186 H LEU 24 HN LEU 24 12.224 2.813 3.571 187 HA LEU 24 HA LEU 24 10.892 4.489 5.609 188 1HB LEU 24 HB2 LEU 24 10.414 1.652 4.629 189 2HB LEU 24 HB1 LEU 24 9.263 2.660 5.510 190 HG LEU 24 HG LEU 24 10.411 3.226 2.769 191 1HD1 LEU 24 HD11 LEU 24 7.584 2.661 3.687 192 2HD1 LEU 24 HD12 LEU 24 8.629 1.501 2.865 193 3HD1 LEU 24 HD13 LEU 24 8.101 2.961 2.030 194 1HD2 LEU 24 HD21 LEU 24 10.147 5.356 3.630 195 2HD2 LEU 24 HD22 LEU 24 8.885 4.856 4.756 196 3HD2 LEU 24 HD23 LEU 24 8.512 5.062 3.047 197 H SER 25 HN SER 25 13.169 4.268 6.756 198 HA SER 25 HA SER 25 13.380 1.733 8.299 199 1HB SER 25 HB2 SER 25 15.647 2.811 8.824 200 2HB SER 25 HB1 SER 25 15.357 2.386 7.138 201 HG SER 25 HG SER 25 15.943 4.439 6.945 202 H ALA 26 HN ALA 26 12.249 4.936 8.635 203 HA ALA 26 HA ALA 26 12.850 5.991 11.056 204 1HB ALA 26 HB1 ALA 26 10.822 7.026 10.829 205 2HB ALA 26 HB2 ALA 26 9.951 5.499 10.701 206 3HB ALA 26 HB3 ALA 26 10.779 6.163 9.294 207 H ASP 27 HN ASP 27 12.746 5.415 13.218 208 HA ASP 27 HA ASP 27 12.443 2.716 14.049 209 1HB ASP 27 HB2 ASP 27 12.021 5.279 15.627 210 2HB ASP 27 HB1 ASP 27 12.437 3.704 16.301 211 H ARG 28 HN ARG 28 10.058 5.074 13.233 212 HA ARG 28 HA ARG 28 7.955 3.715 14.848 213 1HB ARG 28 HB2 ARG 28 6.693 5.721 14.360 214 2HB ARG 28 HB1 ARG 28 8.330 6.219 14.786 215 1HG ARG 28 HG2 ARG 28 8.883 6.775 12.594 216 2HG ARG 28 HG1 ARG 28 7.680 5.694 11.902 217 1HD ARG 28 HD2 ARG 28 6.894 7.973 11.608 218 2HD ARG 28 HD1 ARG 28 5.893 7.217 12.862 219 HE ARG 28 HE ARG 28 6.905 8.641 14.457 220 1HH1 ARG 28 HH11 ARG 28 8.716 8.492 11.520 221 2HH1 ARG 28 HH12 ARG 28 9.781 9.782 11.960 222 1HH2 ARG 28 HH21 ARG 28 8.288 10.324 15.037 223 2HH2 ARG 28 HH22 ARG 28 9.540 10.817 13.948 224 H TYR 29 HN TYR 29 9.269 2.696 12.200 225 HA TYR 29 HA TYR 29 6.835 2.662 10.485 226 1HB TYR 29 HB2 TYR 29 9.766 2.376 10.138 227 2HB TYR 29 HB1 TYR 29 8.763 1.416 9.050 228 HD1 TYR 29 HD1 TYR 29 10.581 4.066 8.671 229 HD2 TYR 29 HD2 TYR 29 6.373 3.249 8.854 230 HE1 TYR 29 HE1 TYR 29 10.125 6.087 7.326 231 HE2 TYR 29 HE2 TYR 29 5.916 5.267 7.513 232 HH TYR 29 HH TYR 29 8.515 7.503 6.616 233 H GLN 30 HN GLN 30 5.601 0.847 10.308 234 HA GLN 30 HA GLN 30 6.687 -1.679 11.525 235 1HB GLN 30 HB2 GLN 30 3.861 -0.638 11.116 236 2HB GLN 30 HB1 GLN 30 4.235 -2.235 11.754 237 1HG GLN 30 HG2 GLN 30 5.754 -0.753 13.407 238 2HG GLN 30 HG1 GLN 30 4.498 0.430 13.045 239 1HE2 GLN 30 HE21 GLN 30 2.179 -1.000 12.908 240 2HE2 GLN 30 HE22 GLN 30 1.894 -1.860 14.342 241 H LEU 31 HN LEU 31 7.764 -1.998 9.397 242 HA LEU 31 HA LEU 31 6.132 -2.353 7.010 243 1HB LEU 31 HB2 LEU 31 8.992 -3.092 7.638 244 2HB LEU 31 HB1 LEU 31 8.292 -2.887 6.031 245 HG LEU 31 HG LEU 31 7.684 -0.570 7.592 246 1HD1 LEU 31 HD11 LEU 31 10.367 -1.726 7.995 247 2HD1 LEU 31 HD12 LEU 31 9.495 -0.537 8.962 248 3HD1 LEU 31 HD13 LEU 31 10.363 -0.030 7.512 249 1HD2 LEU 31 HD21 LEU 31 9.737 -0.687 5.399 250 2HD2 LEU 31 HD22 LEU 31 8.495 0.530 5.695 251 3HD2 LEU 31 HD23 LEU 31 8.048 -1.044 5.038 252 H GLN 32 HN GLN 32 5.092 -4.204 6.463 253 HA GLN 32 HA GLN 32 5.893 -6.734 7.840 254 1HB GLN 32 HB2 GLN 32 3.581 -5.881 8.183 255 2HB GLN 32 HB1 GLN 32 3.316 -5.940 6.437 256 1HG GLN 32 HG2 GLN 32 2.429 -7.969 7.543 257 2HG GLN 32 HG1 GLN 32 3.755 -8.364 6.448 258 1HE2 GLN 32 HE21 GLN 32 5.047 -9.935 7.412 259 2HE2 GLN 32 HE22 GLN 32 5.504 -9.951 9.047 260 H VAL 33 HN VAL 33 7.308 -7.798 6.500 261 HA VAL 33 HA VAL 33 7.150 -7.520 3.583 262 HB VAL 33 HB VAL 33 8.855 -9.193 5.452 263 1HG1 VAL 33 HG11 VAL 33 8.996 -10.249 3.340 264 2HG1 VAL 33 HG12 VAL 33 10.378 -9.151 3.361 265 3HG1 VAL 33 HG13 VAL 33 8.920 -8.713 2.474 266 1HG2 VAL 33 HG21 VAL 33 9.484 -7.006 5.919 267 2HG2 VAL 33 HG22 VAL 33 9.018 -6.425 4.319 268 3HG2 VAL 33 HG23 VAL 33 10.517 -7.332 4.528 269 H CYS 34 HN CYS 34 5.949 -8.816 2.313 270 HA CYS 34 HA CYS 34 5.091 -11.491 3.393 271 1HB CYS 34 HB2 CYS 34 3.789 -9.605 1.400 272 2HB CYS 34 HB1 CYS 34 3.112 -11.145 1.934 273 HG CYS 34 HG CYS 34 3.580 -8.741 3.890 274 H GLU 35 HN GLU 35 6.203 -13.129 2.378 275 HA GLU 35 HA GLU 35 7.809 -12.820 0.055 276 1HB GLU 35 HB2 GLU 35 6.463 -15.274 1.234 277 2HB GLU 35 HB1 GLU 35 7.818 -15.303 0.109 278 1HG GLU 35 HG2 GLU 35 9.175 -14.007 1.732 279 2HG GLU 35 HG1 GLU 35 7.830 -14.061 2.872 280 H SER 36 HN SER 36 4.389 -13.729 0.396 281 HA SER 36 HA SER 36 4.240 -13.879 -2.597 282 1HB SER 36 HB2 SER 36 2.826 -15.666 -2.341 283 2HB SER 36 HB1 SER 36 3.632 -15.799 -0.782 284 HG SER 36 HG SER 36 1.433 -15.762 -0.427 285 H GLY 37 HN GLY 37 1.541 -13.622 -2.944 286 1HA GLY 37 HA2 GLY 37 1.066 -10.803 -2.118 287 2HA GLY 37 HA1 GLY 37 0.242 -11.640 -3.443 288 H GLU 38 HN GLU 38 -0.114 -14.062 -1.950 289 HA GLU 38 HA GLU 38 -2.666 -13.624 -0.738 290 1HB GLU 38 HB2 GLU 38 -0.577 -15.777 -0.963 291 2HB GLU 38 HB1 GLU 38 -1.931 -16.025 0.125 292 1HG GLU 38 HG2 GLU 38 -3.507 -15.612 -1.735 293 2HG GLU 38 HG1 GLU 38 -2.138 -15.363 -2.821 294 H MET 39 HN MET 39 0.648 -13.872 0.404 295 HA MET 39 HA MET 39 0.143 -13.928 3.212 296 1HB MET 39 HB2 MET 39 2.460 -12.942 1.519 297 2HB MET 39 HB1 MET 39 2.555 -13.200 3.262 298 1HG MET 39 HG2 MET 39 1.667 -15.373 1.356 299 2HG MET 39 HG1 MET 39 3.357 -15.140 1.796 300 1HE MET 39 HE1 MET 39 3.881 -16.690 4.995 301 2HE MET 39 HE2 MET 39 4.100 -15.008 4.518 302 3HE MET 39 HE3 MET 39 4.401 -16.294 3.351 303 H LEU 40 HN LEU 40 0.686 -11.289 0.886 304 HA LEU 40 HA LEU 40 0.682 -9.116 2.750 305 1HB LEU 40 HB2 LEU 40 1.257 -9.302 0.204 306 2HB LEU 40 HB1 LEU 40 -0.463 -8.993 -0.035 307 HG LEU 40 HG LEU 40 0.640 -6.856 -0.089 308 1HD1 LEU 40 HD11 LEU 40 -1.472 -7.212 1.373 309 2HD1 LEU 40 HD12 LEU 40 -0.555 -5.725 1.613 310 3HD1 LEU 40 HD13 LEU 40 -0.374 -7.065 2.746 311 1HD2 LEU 40 HD21 LEU 40 2.174 -6.123 1.642 312 2HD2 LEU 40 HD22 LEU 40 2.717 -7.699 1.070 313 3HD2 LEU 40 HD23 LEU 40 1.850 -7.566 2.598 314 H LEU 41 HN LEU 41 -1.942 -10.685 0.886 315 HA LEU 41 HA LEU 41 -4.098 -9.041 1.721 316 1HB LEU 41 HB2 LEU 41 -3.969 -12.023 1.134 317 2HB LEU 41 HB1 LEU 41 -5.441 -11.056 1.155 318 HG LEU 41 HG LEU 41 -3.083 -10.519 -0.661 319 1HD1 LEU 41 HD11 LEU 41 -5.197 -11.233 -2.253 320 2HD1 LEU 41 HD12 LEU 41 -5.413 -12.315 -0.878 321 3HD1 LEU 41 HD13 LEU 41 -3.896 -12.325 -1.779 322 1HD2 LEU 41 HD21 LEU 41 -5.662 -9.469 -1.447 323 2HD2 LEU 41 HD22 LEU 41 -4.150 -8.601 -1.177 324 3HD2 LEU 41 HD23 LEU 41 -5.244 -8.913 0.172 325 H GLU 42 HN GLU 42 -2.585 -11.879 3.242 326 HA GLU 42 HA GLU 42 -4.460 -12.258 5.341 327 1HB GLU 42 HB2 GLU 42 -2.618 -13.796 4.714 328 2HB GLU 42 HB1 GLU 42 -1.451 -12.626 5.338 329 1HG GLU 42 HG2 GLU 42 -2.507 -12.766 7.569 330 2HG GLU 42 HG1 GLU 42 -3.648 -13.959 6.946 331 H TYR 43 HN TYR 43 -1.603 -10.126 5.172 332 HA TYR 43 HA TYR 43 -1.872 -9.165 7.892 333 1HB TYR 43 HB2 TYR 43 0.241 -8.966 6.818 334 2HB TYR 43 HB1 TYR 43 -0.470 -8.238 5.378 335 HD1 TYR 43 HD1 TYR 43 0.649 -7.657 8.826 336 HD2 TYR 43 HD2 TYR 43 -1.247 -5.896 5.397 337 HE1 TYR 43 HE1 TYR 43 0.979 -5.402 9.801 338 HE2 TYR 43 HE2 TYR 43 -0.915 -3.639 6.369 339 HH TYR 43 HH TYR 43 0.999 -2.716 8.253 340 H ALA 44 HN ALA 44 -2.910 -7.919 4.715 341 HA ALA 44 HA ALA 44 -4.174 -5.537 5.845 342 1HB ALA 44 HB1 ALA 44 -5.113 -6.028 3.249 343 2HB ALA 44 HB2 ALA 44 -3.492 -6.720 3.279 344 3HB ALA 44 HB3 ALA 44 -3.735 -5.020 3.689 345 H GLN 45 HN GLN 45 -5.198 -8.797 4.993 346 HA GLN 45 HA GLN 45 -7.999 -8.427 4.764 347 1HB GLN 45 HB2 GLN 45 -6.102 -10.608 5.553 348 2HB GLN 45 HB1 GLN 45 -7.822 -10.871 5.843 349 1HG GLN 45 HG2 GLN 45 -8.360 -10.590 3.552 350 2HG GLN 45 HG1 GLN 45 -6.781 -9.902 3.186 351 1HE2 GLN 45 HE21 GLN 45 -7.403 -11.984 1.553 352 2HE2 GLN 45 HE22 GLN 45 -6.599 -13.407 2.009 353 H THR 46 HN THR 46 -5.948 -7.990 7.491 354 HA THR 46 HA THR 46 -8.346 -7.968 9.290 355 HB THR 46 HB THR 46 -7.065 -9.085 10.912 356 HG1 THR 46 HG1 THR 46 -4.675 -8.622 9.514 357 1HG2 THR 46 HG21 THR 46 -6.539 -11.058 9.841 358 2HG2 THR 46 HG22 THR 46 -5.546 -10.247 8.627 359 3HG2 THR 46 HG23 THR 46 -7.300 -10.231 8.479 360 H HIS 47 HN HIS 47 -6.144 -6.079 7.751 361 HA HIS 47 HA HIS 47 -6.488 -3.854 9.697 362 1HB HIS 47 HB2 HIS 47 -3.833 -4.635 8.449 363 2HB HIS 47 HB1 HIS 47 -4.104 -3.367 9.645 364 HD1 HIS 47 HD1 HIS 47 -5.534 -4.515 11.872 365 HD2 HIS 47 HD2 HIS 47 -2.851 -6.863 9.715 366 HE1 HIS 47 HE1 HIS 47 -4.910 -6.450 13.377 367 H ARG 48 HN ARG 48 -7.998 -3.865 7.549 368 HA ARG 48 HA ARG 48 -6.767 -2.983 5.070 369 1HB ARG 48 HB2 ARG 48 -9.593 -2.302 5.774 370 2HB ARG 48 HB1 ARG 48 -8.953 -2.974 4.280 371 1HG ARG 48 HG2 ARG 48 -8.478 -5.096 5.681 372 2HG ARG 48 HG1 ARG 48 -9.586 -4.390 6.857 373 1HD ARG 48 HD2 ARG 48 -11.234 -4.123 4.897 374 2HD ARG 48 HD1 ARG 48 -10.186 -5.254 4.025 375 HE ARG 48 HE ARG 48 -10.465 -6.824 5.973 376 1HH1 ARG 48 HH11 ARG 48 -12.799 -4.277 5.478 377 2HH1 ARG 48 HH12 ARG 48 -14.026 -5.087 6.383 378 1HH2 ARG 48 HH21 ARG 48 -12.069 -7.836 7.139 379 2HH2 ARG 48 HH22 ARG 48 -13.618 -7.083 7.313 380 H ASP 49 HN ASP 49 -8.798 -1.333 7.438 381 HA ASP 49 HA ASP 49 -8.057 1.326 6.413 382 1HB ASP 49 HB2 ASP 49 -10.306 0.259 7.365 383 2HB ASP 49 HB1 ASP 49 -9.635 0.797 8.904 384 H GLN 50 HN GLN 50 -6.192 -0.653 8.035 385 HA GLN 50 HA GLN 50 -5.413 1.309 10.167 386 1HB GLN 50 HB2 GLN 50 -5.042 -1.693 9.981 387 2HB GLN 50 HB1 GLN 50 -4.631 -0.686 11.370 388 1HG GLN 50 HG2 GLN 50 -7.031 0.020 11.503 389 2HG GLN 50 HG1 GLN 50 -7.398 -1.125 10.211 390 1HE2 GLN 50 HE21 GLN 50 -8.200 -1.127 13.164 391 2HE2 GLN 50 HE22 GLN 50 -7.709 -2.650 13.733 392 H ILE 51 HN ILE 51 -4.427 0.327 7.158 393 HA ILE 51 HA ILE 51 -1.537 0.087 7.773 394 HB ILE 51 HB ILE 51 -2.896 0.263 5.075 395 1HG1 ILE 51 HG12 ILE 51 -4.183 -1.390 6.165 396 2HG1 ILE 51 HG11 ILE 51 -2.946 -2.307 5.308 397 1HG2 ILE 51 HG21 ILE 51 -0.254 -0.552 6.130 398 2HG2 ILE 51 HG22 ILE 51 -0.696 0.053 4.534 399 3HG2 ILE 51 HG23 ILE 51 -0.948 -1.647 4.933 400 1HD1 ILE 51 HD11 ILE 51 -2.839 -3.270 7.433 401 2HD1 ILE 51 HD12 ILE 51 -3.187 -1.745 8.248 402 3HD1 ILE 51 HD13 ILE 51 -1.593 -2.026 7.549 403 H ASP 52 HN ASP 52 -0.099 1.778 7.520 404 HA ASP 52 HA ASP 52 -1.218 4.421 6.830 405 1HB ASP 52 HB2 ASP 52 1.265 3.311 8.090 406 2HB ASP 52 HB1 ASP 52 1.293 4.954 7.443 407 H CYS 53 HN CYS 53 0.589 1.881 5.315 408 HA CYS 53 HA CYS 53 0.621 3.276 2.774 409 1HB CYS 53 HB2 CYS 53 2.745 3.690 4.690 410 2HB CYS 53 HB1 CYS 53 3.389 2.934 3.231 411 HG CYS 53 HG CYS 53 3.005 5.038 1.985 412 H LEU 54 HN LEU 54 0.146 1.451 1.524 413 HA LEU 54 HA LEU 54 1.455 -1.141 2.187 414 1HB LEU 54 HB2 LEU 54 -0.848 -1.360 1.672 415 2HB LEU 54 HB1 LEU 54 -0.755 -0.185 0.356 416 HG LEU 54 HG LEU 54 0.600 -1.737 -0.970 417 1HD1 LEU 54 HD11 LEU 54 1.874 -3.115 0.316 418 2HD1 LEU 54 HD12 LEU 54 0.488 -4.197 0.192 419 3HD1 LEU 54 HD13 LEU 54 0.681 -3.169 1.613 420 1HD2 LEU 54 HD21 LEU 54 -2.119 -2.193 -0.185 421 2HD2 LEU 54 HD22 LEU 54 -1.341 -3.753 -0.436 422 3HD2 LEU 54 HD23 LEU 54 -1.349 -2.554 -1.730 423 H ILE 55 HN ILE 55 3.325 -1.782 1.061 424 HA ILE 55 HA ILE 55 4.129 -0.092 -1.258 425 HB ILE 55 HB ILE 55 5.618 -2.284 0.185 426 1HG1 ILE 55 HG12 ILE 55 5.757 0.711 0.595 427 2HG1 ILE 55 HG11 ILE 55 4.959 -0.417 1.696 428 1HG2 ILE 55 HG21 ILE 55 7.565 -0.877 -0.786 429 2HG2 ILE 55 HG22 ILE 55 6.335 -0.178 -1.840 430 3HG2 ILE 55 HG23 ILE 55 6.660 -1.910 -1.895 431 1HD1 ILE 55 HD11 ILE 55 7.579 -1.408 1.079 432 2HD1 ILE 55 HD12 ILE 55 6.921 -0.940 2.647 433 3HD1 ILE 55 HD13 ILE 55 7.710 0.263 1.626 434 H LEU 56 HN LEU 56 4.332 -0.916 -3.335 435 HA LEU 56 HA LEU 56 3.872 -3.846 -3.711 436 1HB LEU 56 HB2 LEU 56 2.344 -1.507 -4.846 437 2HB LEU 56 HB1 LEU 56 2.311 -3.096 -5.603 438 HG LEU 56 HG LEU 56 1.464 -2.416 -2.776 439 1HD1 LEU 56 HD11 LEU 56 0.093 -2.279 -5.184 440 2HD1 LEU 56 HD12 LEU 56 -0.646 -2.417 -3.589 441 3HD1 LEU 56 HD13 LEU 56 -0.356 -3.864 -4.553 442 1HD2 LEU 56 HD21 LEU 56 0.805 -4.881 -2.755 443 2HD2 LEU 56 HD22 LEU 56 2.536 -4.574 -2.678 444 3HD2 LEU 56 HD23 LEU 56 1.799 -5.077 -4.197 445 H VAL 57 HN VAL 57 4.826 -4.698 -5.557 446 HA VAL 57 HA VAL 57 6.607 -2.836 -7.104 447 HB VAL 57 HB VAL 57 6.888 -5.791 -6.447 448 1HG1 VAL 57 HG11 VAL 57 8.111 -4.181 -8.436 449 2HG1 VAL 57 HG12 VAL 57 8.545 -5.825 -7.965 450 3HG1 VAL 57 HG13 VAL 57 9.325 -4.449 -7.186 451 1HG2 VAL 57 HG21 VAL 57 7.289 -3.554 -4.797 452 2HG2 VAL 57 HG22 VAL 57 8.902 -3.996 -5.355 453 3HG2 VAL 57 HG23 VAL 57 7.900 -5.185 -4.519 454 H ALA 58 HN ALA 58 5.633 -2.548 -9.094 455 HA ALA 58 HA ALA 58 3.682 -4.273 -10.255 456 1HB ALA 58 HB1 ALA 58 4.005 -1.894 -10.775 457 2HB ALA 58 HB2 ALA 58 4.105 -2.862 -12.245 458 3HB ALA 58 HB3 ALA 58 5.577 -2.253 -11.486 459 H ALA 59 HN ALA 59 7.189 -4.384 -10.322 460 HA ALA 59 HA ALA 59 7.708 -5.796 -12.693 461 1HB ALA 59 HB1 ALA 59 9.717 -6.535 -11.533 462 2HB ALA 59 HB2 ALA 59 8.959 -6.251 -9.964 463 3HB ALA 59 HB3 ALA 59 9.342 -4.892 -11.021 464 H ASN 60 HN ASN 60 5.905 -6.924 -9.927 465 HA ASN 60 HA ASN 60 6.443 -9.754 -10.278 466 1HB ASN 60 HB2 ASN 60 4.487 -8.016 -8.853 467 2HB ASN 60 HB1 ASN 60 4.064 -9.718 -9.057 468 1HD2 ASN 60 HD21 ASN 60 7.263 -8.165 -8.503 469 2HD2 ASN 60 HD22 ASN 60 7.617 -9.048 -7.097 470 HA PRO 61 HA PRO 61 3.832 -10.711 -13.637 471 1HB PRO 61 HB2 PRO 61 2.899 -13.180 -12.921 472 2HB PRO 61 HB1 PRO 61 4.569 -12.881 -13.439 473 1HG PRO 61 HG2 PRO 61 3.484 -13.316 -10.719 474 2HG PRO 61 HG1 PRO 61 5.064 -13.740 -11.392 475 1HD PRO 61 HD2 PRO 61 4.550 -11.578 -9.730 476 2HD PRO 61 HD1 PRO 61 5.980 -11.767 -10.766 477 H SER 62 HN SER 62 1.932 -12.383 -11.167 478 HA SER 62 HA SER 62 -0.535 -11.136 -12.144 479 1HB SER 62 HB2 SER 62 -1.292 -12.635 -10.058 480 2HB SER 62 HB1 SER 62 -0.832 -13.362 -11.597 481 HG SER 62 HG SER 62 0.223 -13.979 -9.403 482 H PHE 63 HN PHE 63 1.680 -9.671 -10.397 483 HA PHE 63 HA PHE 63 0.781 -8.999 -7.859 484 1HB PHE 63 HB2 PHE 63 2.760 -7.997 -8.464 485 2HB PHE 63 HB1 PHE 63 2.207 -7.627 -10.092 486 HD1 PHE 63 HD1 PHE 63 1.840 -5.384 -10.590 487 HD2 PHE 63 HD2 PHE 63 1.389 -6.708 -6.537 488 HE1 PHE 63 HE1 PHE 63 1.379 -3.061 -9.898 489 HE2 PHE 63 HE2 PHE 63 0.923 -4.384 -5.839 490 HZ PHE 63 HZ PHE 63 0.917 -2.553 -7.512 491 H ARG 64 HN ARG 64 -0.335 -7.471 -10.902 492 HA ARG 64 HA ARG 64 -2.142 -5.600 -9.849 493 1HB ARG 64 HB2 ARG 64 -1.853 -7.229 -12.323 494 2HB ARG 64 HB1 ARG 64 -3.402 -6.416 -12.089 495 1HG ARG 64 HG2 ARG 64 -2.129 -4.790 -13.209 496 2HG ARG 64 HG1 ARG 64 -1.941 -4.330 -11.517 497 1HD ARG 64 HD2 ARG 64 0.279 -4.309 -12.378 498 2HD ARG 64 HD1 ARG 64 0.159 -5.873 -11.558 499 HE ARG 64 HE ARG 64 -0.756 -6.057 -14.294 500 1HH1 ARG 64 HH11 ARG 64 2.049 -5.844 -12.299 501 2HH1 ARG 64 HH12 ARG 64 3.042 -6.770 -13.368 502 1HH2 ARG 64 HH21 ARG 64 0.534 -7.261 -15.704 503 2HH2 ARG 64 HH22 ARG 64 2.189 -7.567 -15.292 504 H ALA 65 HN ALA 65 -2.669 -9.048 -10.515 505 HA ALA 65 HA ALA 65 -5.443 -9.144 -9.802 506 1HB ALA 65 HB1 ALA 65 -4.597 -11.626 -9.278 507 2HB ALA 65 HB2 ALA 65 -3.137 -11.031 -10.069 508 3HB ALA 65 HB3 ALA 65 -4.675 -11.018 -10.932 509 H VAL 66 HN VAL 66 -2.487 -9.237 -7.856 510 HA VAL 66 HA VAL 66 -3.821 -10.066 -5.397 511 HB VAL 66 HB VAL 66 -1.186 -8.754 -6.084 512 1HG1 VAL 66 HG11 VAL 66 -1.900 -8.116 -3.788 513 2HG1 VAL 66 HG12 VAL 66 -0.503 -9.189 -3.760 514 3HG1 VAL 66 HG13 VAL 66 -2.107 -9.823 -3.393 515 1HG2 VAL 66 HG21 VAL 66 -0.859 -11.285 -4.894 516 2HG2 VAL 66 HG22 VAL 66 -0.643 -10.885 -6.596 517 3HG2 VAL 66 HG23 VAL 66 -2.205 -11.466 -6.016 518 H VAL 67 HN VAL 67 -2.692 -6.942 -6.741 519 HA VAL 67 HA VAL 67 -3.492 -5.294 -4.557 520 HB VAL 67 HB VAL 67 -3.639 -4.516 -7.477 521 1HG1 VAL 67 HG11 VAL 67 -4.264 -2.815 -5.827 522 2HG1 VAL 67 HG12 VAL 67 -2.725 -2.393 -6.576 523 3HG1 VAL 67 HG13 VAL 67 -2.755 -3.082 -4.953 524 1HG2 VAL 67 HG21 VAL 67 -1.122 -3.978 -7.068 525 2HG2 VAL 67 HG22 VAL 67 -1.580 -5.630 -7.469 526 3HG2 VAL 67 HG23 VAL 67 -1.236 -5.196 -5.796 527 H GLN 68 HN GLN 68 -5.303 -6.629 -7.314 528 HA GLN 68 HA GLN 68 -7.674 -5.044 -6.909 529 1HB GLN 68 HB2 GLN 68 -8.426 -6.259 -8.697 530 2HB GLN 68 HB1 GLN 68 -6.762 -6.822 -8.788 531 1HG GLN 68 HG2 GLN 68 -7.370 -8.773 -7.371 532 2HG GLN 68 HG1 GLN 68 -9.038 -8.214 -7.340 533 1HE2 GLN 68 HE21 GLN 68 -10.263 -9.413 -8.789 534 2HE2 GLN 68 HE22 GLN 68 -9.742 -9.919 -10.326 535 H GLN 69 HN GLN 69 -6.617 -8.231 -5.694 536 HA GLN 69 HA GLN 69 -8.983 -8.899 -4.285 537 1HB GLN 69 HB2 GLN 69 -6.868 -10.279 -4.693 538 2HB GLN 69 HB1 GLN 69 -6.142 -9.388 -3.352 539 1HG GLN 69 HG2 GLN 69 -7.048 -11.381 -2.389 540 2HG GLN 69 HG1 GLN 69 -8.166 -10.087 -1.963 541 1HE2 GLN 69 HE21 GLN 69 -8.424 -13.173 -2.678 542 2HE2 GLN 69 HE22 GLN 69 -9.770 -13.188 -3.713 543 H LEU 70 HN LEU 70 -6.193 -6.883 -3.314 544 HA LEU 70 HA LEU 70 -7.001 -6.330 -0.645 545 1HB LEU 70 HB2 LEU 70 -5.389 -5.003 -2.790 546 2HB LEU 70 HB1 LEU 70 -5.843 -4.019 -1.397 547 HG LEU 70 HG LEU 70 -4.831 -6.703 -0.702 548 1HD1 LEU 70 HD11 LEU 70 -3.035 -4.624 -1.989 549 2HD1 LEU 70 HD12 LEU 70 -3.348 -6.253 -2.589 550 3HD1 LEU 70 HD13 LEU 70 -2.461 -6.026 -1.084 551 1HD2 LEU 70 HD21 LEU 70 -5.298 -4.953 0.959 552 2HD2 LEU 70 HD22 LEU 70 -4.163 -3.867 0.156 553 3HD2 LEU 70 HD23 LEU 70 -3.576 -5.331 0.947 554 H CYS 71 HN CYS 71 -7.854 -4.796 -3.730 555 HA CYS 71 HA CYS 71 -9.667 -2.833 -2.601 556 1HB CYS 71 HB2 CYS 71 -9.433 -4.064 -5.368 557 2HB CYS 71 HB1 CYS 71 -10.285 -2.571 -4.983 558 HG CYS 71 HG CYS 71 -7.953 -1.521 -4.300 559 H PHE 72 HN PHE 72 -10.056 -6.023 -4.137 560 HA PHE 72 HA PHE 72 -12.851 -6.220 -4.264 561 1HB PHE 72 HB2 PHE 72 -11.312 -7.838 -5.211 562 2HB PHE 72 HB1 PHE 72 -10.706 -8.261 -3.608 563 HD1 PHE 72 HD1 PHE 72 -11.664 -10.049 -2.455 564 HD2 PHE 72 HD2 PHE 72 -13.902 -8.116 -5.569 565 HE1 PHE 72 HE1 PHE 72 -13.461 -11.739 -2.212 566 HE2 PHE 72 HE2 PHE 72 -15.698 -9.806 -5.328 567 HZ PHE 72 HZ PHE 72 -15.478 -11.619 -3.648 568 H GLU 73 HN GLU 73 -10.722 -7.053 -1.500 569 HA GLU 73 HA GLU 73 -12.896 -7.823 0.251 570 1HB GLU 73 HB2 GLU 73 -10.091 -6.826 0.870 571 2HB GLU 73 HB1 GLU 73 -11.117 -7.778 1.944 572 1HG GLU 73 HG2 GLU 73 -11.161 -9.550 0.121 573 2HG GLU 73 HG1 GLU 73 -9.878 -8.637 -0.671 574 H GLY 74 HN GLY 74 -11.274 -4.831 -0.552 575 1HA GLY 74 HA2 GLY 74 -12.616 -2.739 -0.250 576 2HA GLY 74 HA1 GLY 74 -13.101 -3.381 1.324 577 H VAL 75 HN VAL 75 -9.867 -4.083 0.455 578 HA VAL 75 HA VAL 75 -8.889 -2.290 2.592 579 HB VAL 75 HB VAL 75 -7.421 -4.221 0.783 580 1HG1 VAL 75 HG11 VAL 75 -5.724 -3.191 1.919 581 2HG1 VAL 75 HG12 VAL 75 -6.185 -4.335 3.180 582 3HG1 VAL 75 HG13 VAL 75 -6.778 -2.673 3.234 583 1HG2 VAL 75 HG21 VAL 75 -8.222 -5.055 3.516 584 2HG2 VAL 75 HG22 VAL 75 -8.145 -5.995 2.028 585 3HG2 VAL 75 HG23 VAL 75 -9.529 -4.950 2.335 586 H VAL 76 HN VAL 76 -8.924 -0.174 1.677 587 HA VAL 76 HA VAL 76 -7.180 0.184 -0.734 588 HB VAL 76 HB VAL 76 -9.345 2.033 0.307 589 1HG1 VAL 76 HG11 VAL 76 -9.004 2.059 -2.522 590 2HG1 VAL 76 HG12 VAL 76 -7.397 2.142 -1.799 591 3HG1 VAL 76 HG13 VAL 76 -8.616 3.342 -1.376 592 1HG2 VAL 76 HG21 VAL 76 -10.451 0.853 -1.872 593 2HG2 VAL 76 HG22 VAL 76 -10.717 0.268 -0.229 594 3HG2 VAL 76 HG23 VAL 76 -9.503 -0.496 -1.251 595 H VAL 77 HN VAL 77 -5.225 1.029 -0.134 596 HA VAL 77 HA VAL 77 -5.145 2.997 2.129 597 HB VAL 77 HB VAL 77 -2.929 1.741 2.654 598 1HG1 VAL 77 HG11 VAL 77 -4.356 -0.190 3.714 599 2HG1 VAL 77 HG12 VAL 77 -5.723 0.744 3.111 600 3HG1 VAL 77 HG13 VAL 77 -4.596 1.469 4.259 601 1HG2 VAL 77 HG21 VAL 77 -2.628 -0.420 1.773 602 2HG2 VAL 77 HG22 VAL 77 -3.195 0.489 0.373 603 3HG2 VAL 77 HG23 VAL 77 -4.311 -0.546 1.262 604 HA PRO 78 HA PRO 78 -2.318 5.311 -0.359 605 1HB PRO 78 HB2 PRO 78 -0.299 5.930 1.406 606 2HB PRO 78 HB1 PRO 78 -1.889 6.721 1.450 607 1HG PRO 78 HG2 PRO 78 -0.856 4.459 3.103 608 2HG PRO 78 HG1 PRO 78 -1.794 5.878 3.602 609 1HD PRO 78 HD2 PRO 78 -2.947 3.476 3.258 610 2HD PRO 78 HD1 PRO 78 -3.797 4.984 2.852 611 H ALA 79 HN ALA 79 -1.889 3.270 -1.507 612 HA ALA 79 HA ALA 79 0.421 1.670 -0.664 613 1HB ALA 79 HB1 ALA 79 -1.746 0.752 -1.501 614 2HB ALA 79 HB2 ALA 79 -0.373 0.222 -2.471 615 3HB ALA 79 HB3 ALA 79 -1.427 1.505 -3.063 616 H ILE 80 HN ILE 80 2.451 2.116 -1.383 617 HA ILE 80 HA ILE 80 2.835 3.990 -3.641 618 HB ILE 80 HB ILE 80 4.828 2.612 -1.812 619 1HG1 ILE 80 HG12 ILE 80 3.643 5.384 -1.504 620 2HG1 ILE 80 HG11 ILE 80 2.998 3.979 -0.658 621 1HG2 ILE 80 HG21 ILE 80 5.614 5.216 -2.625 622 2HG2 ILE 80 HG22 ILE 80 5.053 4.378 -4.072 623 3HG2 ILE 80 HG23 ILE 80 6.341 3.679 -3.089 624 1HD1 ILE 80 HD11 ILE 80 4.520 4.853 0.902 625 2HD1 ILE 80 HD12 ILE 80 5.689 5.296 -0.340 626 3HD1 ILE 80 HD13 ILE 80 5.470 3.602 0.100 627 H VAL 81 HN VAL 81 2.830 3.026 -5.654 628 HA VAL 81 HA VAL 81 3.661 0.199 -5.928 629 HB VAL 81 HB VAL 81 2.736 2.141 -8.052 630 1HG1 VAL 81 HG11 VAL 81 3.696 -0.137 -8.639 631 2HG1 VAL 81 HG12 VAL 81 2.054 0.152 -9.209 632 3HG1 VAL 81 HG13 VAL 81 2.328 -0.847 -7.780 633 1HG2 VAL 81 HG21 VAL 81 1.311 1.126 -5.723 634 2HG2 VAL 81 HG22 VAL 81 0.562 0.576 -7.222 635 3HG2 VAL 81 HG23 VAL 81 0.778 2.302 -6.926 636 H VAL 82 HN VAL 82 5.418 -0.474 -7.178 637 HA VAL 82 HA VAL 82 7.336 1.670 -8.041 638 HB VAL 82 HB VAL 82 8.066 -1.094 -7.065 639 1HG1 VAL 82 HG11 VAL 82 9.436 1.442 -7.728 640 2HG1 VAL 82 HG12 VAL 82 10.041 -0.215 -7.778 641 3HG1 VAL 82 HG13 VAL 82 9.993 0.660 -6.248 642 1HG2 VAL 82 HG21 VAL 82 8.363 -0.091 -4.805 643 2HG2 VAL 82 HG22 VAL 82 6.676 -0.091 -5.316 644 3HG2 VAL 82 HG23 VAL 82 7.617 1.398 -5.389 645 H GLY 83 HN GLY 83 8.969 0.713 -9.688 646 1HA GLY 83 HA2 GLY 83 9.429 -0.922 -11.433 647 2HA GLY 83 HA1 GLY 83 7.742 -1.418 -11.363 648 H ASP 84 HN ASP 84 8.531 2.011 -11.445 649 HA ASP 84 HA ASP 84 7.175 2.170 -14.085 650 1HB ASP 84 HB2 ASP 84 8.090 4.243 -12.059 651 2HB ASP 84 HB1 ASP 84 7.212 4.623 -13.541 652 H ARG 85 HN ARG 85 8.291 2.631 -15.972 653 HA ARG 85 HA ARG 85 11.239 3.020 -15.735 654 1HB ARG 85 HB2 ARG 85 9.485 2.266 -18.095 655 2HB ARG 85 HB1 ARG 85 11.246 2.213 -18.056 656 1HG ARG 85 HG2 ARG 85 11.019 0.607 -16.077 657 2HG ARG 85 HG1 ARG 85 9.305 0.498 -16.489 658 1HD ARG 85 HD2 ARG 85 10.064 -0.097 -18.873 659 2HD ARG 85 HD1 ARG 85 11.681 -0.331 -18.183 660 HE ARG 85 HE ARG 85 10.018 -1.763 -16.479 661 1HH1 ARG 85 HH11 ARG 85 10.624 -1.652 -19.881 662 2HH1 ARG 85 HH12 ARG 85 10.259 -3.325 -20.138 663 1HH2 ARG 85 HH21 ARG 85 9.541 -3.969 -16.813 664 2HH2 ARG 85 HH22 ARG 85 9.650 -4.627 -18.410 665 H ASP 86 HN ASP 86 12.210 4.491 -17.439 666 HA ASP 86 HA ASP 86 10.557 6.974 -17.700 667 1HB ASP 86 HB2 ASP 86 12.704 8.112 -17.655 668 2HB ASP 86 HB1 ASP 86 12.684 6.940 -16.338 669 H SER 87 HN SER 87 10.441 4.672 -19.561 670 HA SER 87 HA SER 87 11.958 5.144 -21.951 671 1HB SER 87 HB2 SER 87 10.300 3.619 -22.911 672 2HB SER 87 HB1 SER 87 10.713 3.070 -21.290 673 HG SER 87 HG SER 87 8.357 3.378 -22.045 674 H GLU 88 HN GLU 88 10.771 5.755 -24.068 675 HA GLU 88 HA GLU 88 9.752 8.453 -23.869 676 1HB GLU 88 HB2 GLU 88 9.638 8.258 -26.274 677 2HB GLU 88 HB1 GLU 88 11.060 7.353 -25.755 678 1HG GLU 88 HG2 GLU 88 9.630 5.274 -25.737 679 2HG GLU 88 HG1 GLU 88 8.342 6.226 -26.475 680 H ASP 89 HN ASP 89 8.313 5.387 -23.496 681 HA ASP 89 HA ASP 89 5.737 5.704 -24.632 682 1HB ASP 89 HB2 ASP 89 6.595 4.317 -22.070 683 2HB ASP 89 HB1 ASP 89 5.151 3.941 -23.013 684 HA PRO 90 HA PRO 90 4.289 9.002 -22.005 685 1HB PRO 90 HB2 PRO 90 1.769 9.148 -23.057 686 2HB PRO 90 HB1 PRO 90 3.197 9.815 -23.875 687 1HG PRO 90 HG2 PRO 90 1.742 7.276 -24.390 688 2HG PRO 90 HG1 PRO 90 2.493 8.394 -25.531 689 1HD PRO 90 HD2 PRO 90 3.625 6.030 -24.728 690 2HD PRO 90 HD1 PRO 90 4.550 7.425 -25.322 691 H ASP 91 HN ASP 91 1.834 6.516 -22.728 692 HA ASP 91 HA ASP 91 0.473 6.629 -20.230 693 1HB ASP 91 HB2 ASP 91 0.817 4.296 -22.138 694 2HB ASP 91 HB1 ASP 91 -0.548 4.577 -21.055 695 H GLU 92 HN GLU 92 3.267 4.720 -21.292 696 HA GLU 92 HA GLU 92 4.771 3.385 -20.055 697 1HB GLU 92 HB2 GLU 92 3.660 5.476 -18.248 698 2HB GLU 92 HB1 GLU 92 4.591 4.182 -17.492 699 1HG GLU 92 HG2 GLU 92 6.558 4.823 -18.499 700 2HG GLU 92 HG1 GLU 92 5.745 5.423 -19.945 701 HA PRO 93 HA PRO 93 2.426 0.063 -18.336 702 1HB PRO 93 HB2 PRO 93 4.398 -1.290 -17.020 703 2HB PRO 93 HB1 PRO 93 4.290 -1.242 -18.792 704 1HG PRO 93 HG2 PRO 93 6.092 0.241 -16.967 705 2HG PRO 93 HG1 PRO 93 6.394 -0.380 -18.595 706 1HD PRO 93 HD2 PRO 93 5.843 2.264 -17.969 707 2HD PRO 93 HD1 PRO 93 5.665 1.530 -19.578 708 H ALA 94 HN ALA 94 2.275 2.498 -16.741 709 HA ALA 94 HA ALA 94 1.954 1.284 -14.050 710 1HB ALA 94 HB1 ALA 94 3.266 3.072 -13.033 711 2HB ALA 94 HB2 ALA 94 3.462 3.863 -14.598 712 3HB ALA 94 HB3 ALA 94 4.237 2.309 -14.292 713 H LYS 95 HN LYS 95 -0.217 1.662 -13.756 714 HA LYS 95 HA LYS 95 -1.189 4.473 -14.042 715 1HB LYS 95 HB2 LYS 95 -1.636 2.536 -15.922 716 2HB LYS 95 HB1 LYS 95 -3.043 2.325 -14.879 717 1HG LYS 95 HG2 LYS 95 -3.692 3.950 -16.496 718 2HG LYS 95 HG1 LYS 95 -3.345 4.861 -15.024 719 1HD LYS 95 HD2 LYS 95 -0.876 4.655 -16.328 720 2HD LYS 95 HD1 LYS 95 -2.035 4.995 -17.613 721 1HE LYS 95 HE2 LYS 95 -1.821 7.172 -16.963 722 2HE LYS 95 HE1 LYS 95 -2.854 6.709 -15.597 723 1HZ LYS 95 HZ1 LYS 95 -0.306 5.800 -14.994 724 2HZ LYS 95 HZ2 LYS 95 -1.133 7.091 -14.265 725 3HZ LYS 95 HZ3 LYS 95 -0.098 7.377 -15.580 726 H GLU 96 HN GLU 96 -3.284 4.775 -12.851 727 HA GLU 96 HA GLU 96 -3.238 3.785 -10.197 728 1HB GLU 96 HB2 GLU 96 -5.536 4.835 -11.891 729 2HB GLU 96 HB1 GLU 96 -5.533 4.757 -10.131 730 1HG GLU 96 HG2 GLU 96 -3.516 6.229 -10.102 731 2HG GLU 96 HG1 GLU 96 -3.631 6.372 -11.856 732 H GLN 97 HN GLN 97 -4.559 2.394 -13.122 733 HA GLN 97 HA GLN 97 -6.534 0.618 -12.241 734 1HB GLN 97 HB2 GLN 97 -5.918 -0.653 -14.213 735 2HB GLN 97 HB1 GLN 97 -5.617 1.052 -14.573 736 1HG GLN 97 HG2 GLN 97 -3.230 0.696 -13.826 737 2HG GLN 97 HG1 GLN 97 -3.578 -1.028 -13.740 738 1HE2 GLN 97 HE21 GLN 97 -1.949 -1.343 -15.477 739 2HE2 GLN 97 HE22 GLN 97 -2.361 -1.012 -17.089 740 H LEU 98 HN LEU 98 -3.107 0.523 -11.526 741 HA LEU 98 HA LEU 98 -2.779 -2.253 -10.937 742 1HB LEU 98 HB2 LEU 98 -1.499 0.282 -9.859 743 2HB LEU 98 HB1 LEU 98 -0.875 -1.338 -9.554 744 HG LEU 98 HG LEU 98 -1.267 -0.139 -12.308 745 1HD1 LEU 98 HD11 LEU 98 1.316 -0.649 -10.810 746 2HD1 LEU 98 HD12 LEU 98 0.533 0.928 -10.873 747 3HD1 LEU 98 HD13 LEU 98 1.123 0.177 -12.356 748 1HD2 LEU 98 HD21 LEU 98 0.270 -2.126 -12.856 749 2HD2 LEU 98 HD22 LEU 98 -1.403 -2.512 -12.452 750 3HD2 LEU 98 HD23 LEU 98 -0.132 -2.731 -11.249 751 H TYR 99 HN TYR 99 -3.851 0.522 -9.038 752 HA TYR 99 HA TYR 99 -4.962 -1.341 -7.012 753 1HB TYR 99 HB2 TYR 99 -2.582 -0.328 -6.565 754 2HB TYR 99 HB1 TYR 99 -3.471 1.153 -6.218 755 HD1 TYR 99 HD1 TYR 99 -1.839 -0.167 -4.127 756 HD2 TYR 99 HD2 TYR 99 -5.920 -0.827 -5.289 757 HE1 TYR 99 HE1 TYR 99 -2.361 -0.986 -1.847 758 HE2 TYR 99 HE2 TYR 99 -6.434 -1.650 -3.003 759 HH TYR 99 HH TYR 99 -3.932 -1.750 -0.475 760 H HIS 100 HN HIS 100 -5.312 1.330 -5.403 761 HA HIS 100 HA HIS 100 -7.929 1.961 -6.593 762 1HB HIS 100 HB2 HIS 100 -8.217 3.266 -4.526 763 2HB HIS 100 HB1 HIS 100 -7.626 1.648 -4.169 764 HD2 HIS 100 HD2 HIS 100 -4.692 1.613 -3.625 765 HE1 HIS 100 HE1 HIS 100 -4.724 5.647 -2.345 766 HE2 HIS 100 HE2 HIS 100 -3.455 3.477 -2.319 767 H SER 101 HN SER 101 -8.406 4.555 -6.336 768 HA SER 101 HA SER 101 -6.740 5.769 -8.418 769 1HB SER 101 HB2 SER 101 -8.640 6.957 -8.757 770 2HB SER 101 HB1 SER 101 -9.372 5.858 -7.590 771 HG SER 101 HG SER 101 -9.291 8.366 -7.311 772 H ALA 102 HN ALA 102 -5.742 5.424 -5.427 773 HA ALA 102 HA ALA 102 -4.720 8.230 -5.291 774 1HB ALA 102 HB1 ALA 102 -5.008 7.456 -2.650 775 2HB ALA 102 HB2 ALA 102 -6.433 6.764 -3.424 776 3HB ALA 102 HB3 ALA 102 -6.118 8.498 -3.538 777 H GLU 103 HN GLU 103 -4.011 4.828 -5.045 778 HA GLU 103 HA GLU 103 -1.801 4.760 -3.314 779 1HB GLU 103 HB2 GLU 103 -1.246 2.761 -4.434 780 2HB GLU 103 HB1 GLU 103 -2.964 2.933 -4.772 781 1HG GLU 103 HG2 GLU 103 -0.919 4.070 -6.679 782 2HG GLU 103 HG1 GLU 103 -1.352 2.367 -6.743 783 H LEU 104 HN LEU 104 0.423 5.285 -3.567 784 HA LEU 104 HA LEU 104 0.964 7.334 -5.638 785 1HB LEU 104 HB2 LEU 104 2.002 6.519 -2.984 786 2HB LEU 104 HB1 LEU 104 3.211 7.146 -4.104 787 HG LEU 104 HG LEU 104 1.828 9.165 -4.466 788 1HD1 LEU 104 HD11 LEU 104 -0.021 9.412 -2.605 789 2HD1 LEU 104 HD12 LEU 104 -0.022 7.650 -2.651 790 3HD1 LEU 104 HD13 LEU 104 -0.397 8.571 -4.109 791 1HD2 LEU 104 HD21 LEU 104 3.249 9.807 -2.813 792 2HD2 LEU 104 HD22 LEU 104 2.966 8.341 -1.874 793 3HD2 LEU 104 HD23 LEU 104 1.836 9.690 -1.764 794 H HIS 105 HN HIS 105 2.790 7.169 -7.047 795 HA HIS 105 HA HIS 105 3.731 4.363 -7.516 796 1HB HIS 105 HB2 HIS 105 3.384 6.772 -9.322 797 2HB HIS 105 HB1 HIS 105 4.086 5.242 -9.849 798 HD1 HIS 105 HD1 HIS 105 1.505 6.132 -11.200 799 HD2 HIS 105 HD2 HIS 105 1.548 3.782 -7.756 800 HE1 HIS 105 HE1 HIS 105 -0.708 4.901 -11.143 801 H LEU 106 HN LEU 106 5.971 4.029 -7.641 802 HA LEU 106 HA LEU 106 7.728 6.430 -7.258 803 1HB LEU 106 HB2 LEU 106 7.316 5.268 -5.136 804 2HB LEU 106 HB1 LEU 106 7.803 3.738 -5.867 805 HG LEU 106 HG LEU 106 10.044 4.840 -6.379 806 1HD1 LEU 106 HD11 LEU 106 9.533 6.756 -4.166 807 2HD1 LEU 106 HD12 LEU 106 8.798 7.153 -5.718 808 3HD1 LEU 106 HD13 LEU 106 10.544 6.937 -5.600 809 1HD2 LEU 106 HD21 LEU 106 10.511 4.866 -3.703 810 2HD2 LEU 106 HD22 LEU 106 10.327 3.380 -4.635 811 3HD2 LEU 106 HD23 LEU 106 8.959 4.033 -3.737 812 H GLY 107 HN GLY 107 9.803 6.267 -8.239 813 1HA GLY 107 HA2 GLY 107 9.983 4.484 -10.524 814 2HA GLY 107 HA1 GLY 107 11.247 5.586 -9.973 815 H ILE 108 HN ILE 108 11.543 2.769 -10.797 816 HA ILE 108 HA ILE 108 11.841 0.982 -8.626 817 HB ILE 108 HB ILE 108 13.225 1.373 -11.285 818 1HG1 ILE 108 HG12 ILE 108 11.135 -0.649 -10.454 819 2HG1 ILE 108 HG11 ILE 108 10.712 0.926 -11.127 820 1HG2 ILE 108 HG21 ILE 108 13.787 -0.456 -9.105 821 2HG2 ILE 108 HG22 ILE 108 14.693 -0.167 -10.591 822 3HG2 ILE 108 HG23 ILE 108 13.347 -1.309 -10.584 823 1HD1 ILE 108 HD11 ILE 108 12.181 -1.349 -12.446 824 2HD1 ILE 108 HD12 ILE 108 12.349 0.301 -13.043 825 3HD1 ILE 108 HD13 ILE 108 10.764 -0.473 -13.021 826 H HIS 109 HN HIS 109 14.020 3.447 -9.949 827 HA HIS 109 HA HIS 109 16.101 2.760 -7.944 828 1HB HIS 109 HB2 HIS 109 17.527 4.080 -9.313 829 2HB HIS 109 HB1 HIS 109 16.454 3.280 -10.456 830 HD1 HIS 109 HD1 HIS 109 17.406 6.615 -9.151 831 HD2 HIS 109 HD2 HIS 109 14.386 5.020 -11.541 832 HE1 HIS 109 HE1 HIS 109 16.290 8.578 -10.300 833 H GLN 110 HN GLN 110 13.327 4.280 -7.667 834 HA GLN 110 HA GLN 110 14.416 6.635 -6.163 835 1HB GLN 110 HB2 GLN 110 11.717 6.118 -7.457 836 2HB GLN 110 HB1 GLN 110 12.133 7.581 -6.563 837 1HG GLN 110 HG2 GLN 110 14.130 7.787 -8.178 838 2HG GLN 110 HG1 GLN 110 13.295 6.594 -9.170 839 1HE2 GLN 110 HE21 GLN 110 10.675 7.970 -7.944 840 2HE2 GLN 110 HE22 GLN 110 10.466 9.295 -8.980 841 H LEU 111 HN LEU 111 14.133 3.806 -5.258 842 HA LEU 111 HA LEU 111 11.869 3.413 -3.583 843 1HB LEU 111 HB2 LEU 111 14.752 2.498 -3.398 844 2HB LEU 111 HB1 LEU 111 13.426 1.789 -2.474 845 HG LEU 111 HG LEU 111 13.517 1.947 -5.498 846 1HD1 LEU 111 HD11 LEU 111 13.824 -0.531 -3.809 847 2HD1 LEU 111 HD12 LEU 111 15.223 0.425 -4.292 848 3HD1 LEU 111 HD13 LEU 111 14.199 -0.320 -5.519 849 1HD2 LEU 111 HD21 LEU 111 11.496 1.226 -3.497 850 2HD2 LEU 111 HD22 LEU 111 11.757 -0.038 -4.700 851 3HD2 LEU 111 HD23 LEU 111 11.298 1.587 -5.210 852 H GLU 112 HN GLU 112 14.993 4.977 -2.929 853 HA GLU 112 HA GLU 112 14.748 5.315 -0.138 854 1HB GLU 112 HB2 GLU 112 16.416 7.018 -0.441 855 2HB GLU 112 HB1 GLU 112 16.699 5.817 -1.701 856 1HG GLU 112 HG2 GLU 112 15.469 7.190 -3.315 857 2HG GLU 112 HG1 GLU 112 15.127 8.383 -2.062 858 H GLN 113 HN GLN 113 12.897 6.729 -2.687 859 HA GLN 113 HA GLN 113 12.051 9.099 -1.164 860 1HB GLN 113 HB2 GLN 113 11.189 7.763 -3.750 861 2HB GLN 113 HB1 GLN 113 10.491 9.273 -3.163 862 1HG GLN 113 HG2 GLN 113 12.603 10.397 -3.277 863 2HG GLN 113 HG1 GLN 113 13.465 8.884 -3.550 864 1HE2 GLN 113 HE21 GLN 113 14.251 9.114 -5.671 865 2HE2 GLN 113 HE22 GLN 113 13.280 9.479 -7.016 866 H LEU 114 HN LEU 114 11.351 5.844 -0.913 867 HA LEU 114 HA LEU 114 8.570 5.561 -0.758 868 1HB LEU 114 HB2 LEU 114 10.974 4.310 0.402 869 2HB LEU 114 HB1 LEU 114 9.476 3.997 1.278 870 HG LEU 114 HG LEU 114 9.302 3.799 -1.673 871 1HD1 LEU 114 HD11 LEU 114 10.763 2.105 -1.986 872 2HD1 LEU 114 HD12 LEU 114 10.268 1.302 -0.498 873 3HD1 LEU 114 HD13 LEU 114 11.481 2.582 -0.448 874 1HD2 LEU 114 HD21 LEU 114 8.427 1.755 0.349 875 2HD2 LEU 114 HD22 LEU 114 7.653 2.224 -1.163 876 3HD2 LEU 114 HD23 LEU 114 7.563 3.288 0.240 877 HA PRO 115 HA PRO 115 8.633 6.972 3.827 878 1HB PRO 115 HB2 PRO 115 10.635 8.712 4.548 879 2HB PRO 115 HB1 PRO 115 10.744 6.953 4.783 880 1HG PRO 115 HG2 PRO 115 11.896 8.647 2.614 881 2HG PRO 115 HG1 PRO 115 12.618 7.283 3.481 882 1HD PRO 115 HD2 PRO 115 11.596 7.030 1.003 883 2HD PRO 115 HD1 PRO 115 11.528 5.715 2.193 884 H TYR 116 HN TYR 116 10.324 9.412 1.821 885 HA TYR 116 HA TYR 116 8.597 11.576 2.505 886 1HB TYR 116 HB2 TYR 116 10.228 12.557 1.272 887 2HB TYR 116 HB1 TYR 116 10.813 10.968 0.801 888 HD1 TYR 116 HD1 TYR 116 7.847 13.127 -0.022 889 HD2 TYR 116 HD2 TYR 116 11.059 10.675 -1.460 890 HE1 TYR 116 HE1 TYR 116 7.133 13.564 -2.359 891 HE2 TYR 116 HE2 TYR 116 10.350 11.106 -3.801 892 HH TYR 116 HH TYR 116 9.082 12.754 -5.063 893 H GLN 117 HN GLN 117 8.390 8.957 0.165 894 HA GLN 117 HA GLN 117 5.979 9.913 -1.158 895 1HB GLN 117 HB2 GLN 117 7.551 7.350 -0.969 896 2HB GLN 117 HB1 GLN 117 5.980 7.361 -1.769 897 1HG GLN 117 HG2 GLN 117 8.142 9.351 -2.472 898 2HG GLN 117 HG1 GLN 117 8.024 7.778 -3.266 899 1HE2 GLN 117 HE21 GLN 117 6.702 10.985 -3.172 900 2HE2 GLN 117 HE22 GLN 117 5.460 10.732 -4.303 901 H VAL 118 HN VAL 118 6.761 7.721 1.503 902 HA VAL 118 HA VAL 118 4.180 6.678 2.018 903 HB VAL 118 HB VAL 118 6.716 7.157 3.547 904 1HG1 VAL 118 HG11 VAL 118 5.475 7.453 5.460 905 2HG1 VAL 118 HG12 VAL 118 5.339 5.697 5.359 906 3HG1 VAL 118 HG13 VAL 118 4.035 6.719 4.759 907 1HG2 VAL 118 HG21 VAL 118 5.086 4.638 3.213 908 2HG2 VAL 118 HG22 VAL 118 6.806 4.779 3.562 909 3HG2 VAL 118 HG23 VAL 118 6.192 5.202 1.964 910 H ASP 119 HN ASP 119 5.772 9.568 3.445 911 HA ASP 119 HA ASP 119 3.490 10.412 4.961 912 1HB ASP 119 HB2 ASP 119 5.834 11.870 3.724 913 2HB ASP 119 HB1 ASP 119 4.722 12.612 4.874 914 H ALA 120 HN ALA 120 4.557 11.030 1.647 915 HA ALA 120 HA ALA 120 2.498 12.935 0.973 916 1HB ALA 120 HB1 ALA 120 3.248 12.295 -1.361 917 2HB ALA 120 HB2 ALA 120 4.245 11.040 -0.629 918 3HB ALA 120 HB3 ALA 120 4.575 12.738 -0.282 919 H ALA 121 HN ALA 121 2.808 9.399 0.628 920 HA ALA 121 HA ALA 121 0.376 8.917 -0.790 921 1HB ALA 121 HB1 ALA 121 1.025 6.738 -0.496 922 2HB ALA 121 HB2 ALA 121 1.268 6.949 1.239 923 3HB ALA 121 HB3 ALA 121 2.511 7.471 0.104 924 H LEU 122 HN LEU 122 1.088 9.031 2.711 925 HA LEU 122 HA LEU 122 -1.461 8.268 3.673 926 1HB LEU 122 HB2 LEU 122 0.660 10.186 4.707 927 2HB LEU 122 HB1 LEU 122 -0.735 9.696 5.671 928 HG LEU 122 HG LEU 122 0.762 7.465 4.424 929 1HD1 LEU 122 HD11 LEU 122 2.175 9.539 5.798 930 2HD1 LEU 122 HD12 LEU 122 2.804 8.003 5.208 931 3HD1 LEU 122 HD13 LEU 122 2.138 8.118 6.836 932 1HD2 LEU 122 HD21 LEU 122 0.333 7.604 7.340 933 2HD2 LEU 122 HD22 LEU 122 -0.119 6.338 6.198 934 3HD2 LEU 122 HD23 LEU 122 -1.142 7.760 6.385 935 H ALA 123 HN ALA 123 -0.232 11.580 2.988 936 HA ALA 123 HA ALA 123 -2.755 12.856 3.533 937 1HB ALA 123 HB1 ALA 123 -0.152 13.603 3.018 938 2HB ALA 123 HB2 ALA 123 -1.518 14.715 3.105 939 3HB ALA 123 HB3 ALA 123 -0.976 14.107 1.541 940 H GLU 124 HN GLU 124 -1.229 11.754 0.476 941 HA GLU 124 HA GLU 124 -3.337 12.621 -1.254 942 1HB GLU 124 HB2 GLU 124 -1.067 11.959 -1.977 943 2HB GLU 124 HB1 GLU 124 -1.405 10.293 -1.503 944 1HG GLU 124 HG2 GLU 124 -1.871 10.280 -3.809 945 2HG GLU 124 HG1 GLU 124 -3.463 10.506 -3.090 946 H PHE 125 HN PHE 125 -2.946 9.679 0.711 947 HA PHE 125 HA PHE 125 -5.235 8.358 -0.572 948 1HB PHE 125 HB2 PHE 125 -3.436 6.999 0.256 949 2HB PHE 125 HB1 PHE 125 -3.478 7.795 1.832 950 HD1 PHE 125 HD1 PHE 125 -5.191 7.286 3.460 951 HD2 PHE 125 HD2 PHE 125 -5.207 5.408 -0.401 952 HE1 PHE 125 HE1 PHE 125 -6.886 5.670 4.262 953 HE2 PHE 125 HE2 PHE 125 -6.905 3.783 0.402 954 HZ PHE 125 HZ PHE 125 -7.745 3.918 2.732 955 H LEU 126 HN LEU 126 -4.622 10.157 2.422 956 HA LEU 126 HA LEU 126 -7.093 9.606 3.749 957 1HB LEU 126 HB2 LEU 126 -5.048 11.826 3.771 958 2HB LEU 126 HB1 LEU 126 -6.452 11.871 4.843 959 HG LEU 126 HG LEU 126 -4.401 9.639 4.692 960 1HD1 LEU 126 HD11 LEU 126 -4.001 12.002 5.881 961 2HD1 LEU 126 HD12 LEU 126 -3.446 10.495 6.610 962 3HD1 LEU 126 HD13 LEU 126 -4.955 11.236 7.147 963 1HD2 LEU 126 HD21 LEU 126 -6.073 8.381 5.537 964 2HD2 LEU 126 HD22 LEU 126 -7.117 9.785 5.754 965 3HD2 LEU 126 HD23 LEU 126 -5.938 9.362 6.996 966 H ARG 127 HN ARG 127 -6.163 12.392 1.702 967 HA ARG 127 HA ARG 127 -8.654 13.745 1.786 968 1HB ARG 127 HB2 ARG 127 -6.409 13.596 -0.235 969 2HB ARG 127 HB1 ARG 127 -7.714 14.782 -0.327 970 1HG ARG 127 HG2 ARG 127 -7.105 15.271 2.166 971 2HG ARG 127 HG1 ARG 127 -5.576 14.487 1.768 972 1HD ARG 127 HD2 ARG 127 -6.630 16.643 -0.046 973 2HD ARG 127 HD1 ARG 127 -5.769 17.080 1.444 974 HE ARG 127 HE ARG 127 -4.262 15.033 0.255 975 1HH1 ARG 127 HH11 ARG 127 -5.382 18.196 -0.566 976 2HH1 ARG 127 HH12 ARG 127 -3.973 18.588 -1.495 977 1HH2 ARG 127 HH21 ARG 127 -2.436 15.532 -0.937 978 2HH2 ARG 127 HH22 ARG 127 -2.303 17.079 -1.704 979 H LEU 128 HN LEU 128 -7.549 11.109 -0.338 980 HA LEU 128 HA LEU 128 -10.139 11.246 -1.805 981 1HB LEU 128 HB2 LEU 128 -7.612 10.942 -2.683 982 2HB LEU 128 HB1 LEU 128 -8.025 9.243 -2.446 983 HG LEU 128 HG LEU 128 -10.023 9.516 -3.857 984 1HD1 LEU 128 HD11 LEU 128 -10.061 11.762 -5.187 985 2HD1 LEU 128 HD12 LEU 128 -9.116 12.386 -3.837 986 3HD1 LEU 128 HD13 LEU 128 -10.731 11.735 -3.555 987 1HD2 LEU 128 HD21 LEU 128 -8.775 10.221 -6.016 988 2HD2 LEU 128 HD22 LEU 128 -8.142 8.838 -5.124 989 3HD2 LEU 128 HD23 LEU 128 -7.364 10.413 -4.975 990 H ALA 129 HN ALA 129 -9.211 9.914 1.037 991 HA ALA 129 HA ALA 129 -10.266 7.186 0.609 992 1HB ALA 129 HB1 ALA 129 -9.831 7.170 3.165 993 2HB ALA 129 HB2 ALA 129 -9.087 8.746 2.900 994 3HB ALA 129 HB3 ALA 129 -8.434 7.316 2.097 995 HA PRO 130 HA PRO 130 -11.357 5.661 1.465 996 1HB PRO 130 HB2 PRO 130 -13.651 4.542 0.468 997 2HB PRO 130 HB1 PRO 130 -13.291 4.629 2.204 998 1HG PRO 130 HG2 PRO 130 -15.082 6.337 0.557 999 2HG PRO 130 HG1 PRO 130 -15.284 5.753 2.214 1000 1HD PRO 130 HD2 PRO 130 -14.489 8.288 1.582 1001 2HD PRO 130 HD1 PRO 130 -14.077 7.475 3.105 1002 H VAL 131 HN VAL 131 -10.536 4.967 -0.555 1003 HA VAL 131 HA VAL 131 -10.959 6.831 -2.785 1004 HB VAL 131 HB VAL 131 -9.303 4.305 -2.788 1005 1HG1 VAL 131 HG11 VAL 131 -7.826 5.785 -4.178 1006 2HG1 VAL 131 HG12 VAL 131 -9.064 7.037 -4.077 1007 3HG1 VAL 131 HG13 VAL 131 -9.415 5.511 -4.889 1008 1HG2 VAL 131 HG21 VAL 131 -9.056 6.686 -1.071 1009 2HG2 VAL 131 HG22 VAL 131 -7.601 6.337 -2.002 1010 3HG2 VAL 131 HG23 VAL 131 -8.269 5.114 -0.923 1011 H GLU 132 HN GLU 132 -11.371 5.959 -5.005 1012 HA GLU 132 HA GLU 132 -13.579 3.981 -4.890 1013 1HB GLU 132 HB2 GLU 132 -13.664 6.291 -5.986 1014 2HB GLU 132 HB1 GLU 132 -12.590 5.638 -7.226 1015 1HG GLU 132 HG2 GLU 132 -14.307 3.742 -7.477 1016 2HG GLU 132 HG1 GLU 132 -15.397 4.761 -6.538 1017 H THR 133 HN THR 133 -12.722 1.919 -4.944 1018 HA THR 133 HA THR 133 -10.484 1.326 -6.814 1019 HB THR 133 HB THR 133 -10.909 -0.953 -5.460 1020 HG1 THR 133 HG1 THR 133 -12.315 -0.682 -3.963 1021 1HG2 THR 133 HG21 THR 133 -8.822 0.240 -5.351 1022 2HG2 THR 133 HG22 THR 133 -9.361 -0.044 -3.697 1023 3HG2 THR 133 HG23 THR 133 -9.564 1.547 -4.428 1024 H MET 134 HN MET 134 -11.100 0.693 -8.808 1025 HA MET 134 HA MET 134 -13.701 -0.123 -9.608 1026 1HB MET 134 HB2 MET 134 -10.932 -0.537 -10.759 1027 2HB MET 134 HB1 MET 134 -12.424 -0.805 -11.663 1028 1HG MET 134 HG2 MET 134 -13.090 1.536 -11.263 1029 2HG MET 134 HG1 MET 134 -11.600 1.807 -10.359 1030 1HE MET 134 HE1 MET 134 -13.285 0.607 -13.269 1031 2HE MET 134 HE2 MET 134 -11.954 -0.132 -14.158 1032 3HE MET 134 HE3 MET 134 -12.571 1.440 -14.656 1033 H ALA 135 HN ALA 135 -10.859 -2.062 -8.633 1034 HA ALA 135 HA ALA 135 -11.621 -4.643 -9.348 1035 1HB ALA 135 HB1 ALA 135 -10.553 -5.195 -7.026 1036 2HB ALA 135 HB2 ALA 135 -10.308 -3.451 -6.911 1037 3HB ALA 135 HB3 ALA 135 -9.565 -4.363 -8.225 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -4.220 2.842 19.296 2 2H MET 1 HT2 MET 1 -3.682 2.895 17.685 3 3H MET 1 HT3 MET 1 -4.749 4.082 18.265 4 HA MET 1 HA MET 1 -3.127 5.257 19.314 5 1HB MET 1 HB2 MET 1 -2.825 3.230 20.780 6 2HB MET 1 HB1 MET 1 -1.653 2.622 19.610 7 1HG MET 1 HG2 MET 1 -0.284 4.653 19.928 8 2HG MET 1 HG1 MET 1 -1.448 5.249 21.110 9 1HE MET 1 HE1 MET 1 1.450 4.862 20.982 10 2HE MET 1 HE2 MET 1 2.212 3.492 21.786 11 3HE MET 1 HE3 MET 1 1.589 4.834 22.745 12 H LEU 2 HN LEU 2 -1.840 6.498 18.005 13 HA LEU 2 HA LEU 2 -1.021 5.759 15.389 14 1HB LEU 2 HB2 LEU 2 -1.287 8.050 16.303 15 2HB LEU 2 HB1 LEU 2 0.163 7.805 17.273 16 HG LEU 2 HG LEU 2 0.236 8.962 14.862 17 1HD1 LEU 2 HD11 LEU 2 2.301 9.021 15.788 18 2HD1 LEU 2 HD12 LEU 2 2.615 7.602 14.791 19 3HD1 LEU 2 HD13 LEU 2 2.136 7.405 16.476 20 1HD2 LEU 2 HD21 LEU 2 -0.678 6.772 13.849 21 2HD2 LEU 2 HD22 LEU 2 0.927 6.109 14.158 22 3HD2 LEU 2 HD23 LEU 2 0.739 7.489 13.077 23 H SER 3 HN SER 3 0.919 5.982 18.370 24 HA SER 3 HA SER 3 3.112 5.176 18.810 25 1HB SER 3 HB2 SER 3 3.026 2.629 17.923 26 2HB SER 3 HB1 SER 3 2.100 3.173 19.320 27 HG SER 3 HG SER 3 1.264 2.404 16.825 28 H GLN 4 HN GLN 4 2.871 3.085 16.023 29 HA GLN 4 HA GLN 4 4.870 4.791 14.583 30 1HB GLN 4 HB2 GLN 4 4.752 1.770 14.873 31 2HB GLN 4 HB1 GLN 4 5.973 2.662 13.964 32 1HG GLN 4 HG2 GLN 4 6.553 3.884 16.092 33 2HG GLN 4 HG1 GLN 4 5.474 2.784 16.949 34 1HE2 GLN 4 HE21 GLN 4 7.992 2.564 17.843 35 2HE2 GLN 4 HE22 GLN 4 8.796 1.217 17.196 36 H ILE 5 HN ILE 5 4.872 4.361 12.207 37 HA ILE 5 HA ILE 5 2.143 4.158 11.169 38 HB ILE 5 HB ILE 5 4.862 4.460 9.855 39 1HG1 ILE 5 HG12 ILE 5 2.852 6.635 10.430 40 2HG1 ILE 5 HG11 ILE 5 4.101 6.202 11.598 41 1HG2 ILE 5 HG21 ILE 5 2.752 3.742 8.487 42 2HG2 ILE 5 HG22 ILE 5 3.768 5.049 7.882 43 3HG2 ILE 5 HG23 ILE 5 2.259 5.419 8.717 44 1HD1 ILE 5 HD11 ILE 5 4.478 7.258 8.787 45 2HD1 ILE 5 HD12 ILE 5 5.787 6.507 9.699 46 3HD1 ILE 5 HD13 ILE 5 5.028 7.984 10.296 47 H ALA 6 HN ALA 6 1.286 2.402 10.022 48 HA ALA 6 HA ALA 6 2.911 -0.092 10.010 49 1HB ALA 6 HB1 ALA 6 0.098 -0.117 9.137 50 2HB ALA 6 HB2 ALA 6 0.345 0.525 10.760 51 3HB ALA 6 HB3 ALA 6 0.897 -1.102 10.360 52 H ILE 7 HN ILE 7 3.929 -0.594 8.111 53 HA ILE 7 HA ILE 7 2.558 0.145 5.556 54 HB ILE 7 HB ILE 7 5.508 0.221 6.255 55 1HG1 ILE 7 HG12 ILE 7 3.579 2.464 5.597 56 2HG1 ILE 7 HG11 ILE 7 4.073 2.028 7.233 57 1HG2 ILE 7 HG21 ILE 7 4.468 -0.273 3.778 58 2HG2 ILE 7 HG22 ILE 7 5.992 0.572 4.054 59 3HG2 ILE 7 HG23 ILE 7 4.514 1.488 3.773 60 1HD1 ILE 7 HD11 ILE 7 6.379 2.302 5.503 61 2HD1 ILE 7 HD12 ILE 7 6.015 3.125 7.015 62 3HD1 ILE 7 HD13 ILE 7 5.409 3.777 5.496 63 H CYS 8 HN CYS 8 2.087 -1.681 4.419 64 HA CYS 8 HA CYS 8 3.685 -4.151 4.985 65 1HB CYS 8 HB2 CYS 8 1.114 -3.895 5.295 66 2HB CYS 8 HB1 CYS 8 1.045 -3.978 3.534 67 HG CYS 8 HG CYS 8 0.890 -6.424 4.540 68 H ILE 9 HN ILE 9 5.304 -4.362 3.453 69 HA ILE 9 HA ILE 9 4.732 -3.463 0.668 70 HB ILE 9 HB ILE 9 6.770 -2.698 1.833 71 1HG1 ILE 9 HG12 ILE 9 6.574 -3.557 -0.739 72 2HG1 ILE 9 HG11 ILE 9 8.020 -2.795 -0.085 73 1HG2 ILE 9 HG21 ILE 9 7.408 -4.310 3.349 74 2HG2 ILE 9 HG22 ILE 9 8.552 -4.641 2.049 75 3HG2 ILE 9 HG23 ILE 9 7.109 -5.636 2.225 76 1HD1 ILE 9 HD11 ILE 9 8.687 -4.818 -1.231 77 2HD1 ILE 9 HD12 ILE 9 7.485 -5.767 -0.356 78 3HD1 ILE 9 HD13 ILE 9 8.873 -5.095 0.499 79 H TRP 10 HN TRP 10 4.832 -4.870 -1.062 80 HA TRP 10 HA TRP 10 5.096 -7.782 -0.376 81 1HB TRP 10 HB2 TRP 10 2.793 -7.279 -0.903 82 2HB TRP 10 HB1 TRP 10 3.267 -6.314 -2.303 83 HD1 TRP 10 HD1 TRP 10 5.070 -9.561 -1.616 84 HE1 TRP 10 HE1 TRP 10 4.492 -11.270 -3.450 85 HE3 TRP 10 HE3 TRP 10 1.330 -7.041 -4.006 86 HZ2 TRP 10 HZ2 TRP 10 2.664 -11.541 -5.642 87 HZ3 TRP 10 HZ3 TRP 10 0.195 -8.042 -5.960 88 HH2 TRP 10 HH2 TRP 10 0.849 -10.289 -6.782 89 H VAL 11 HN VAL 11 7.025 -8.444 -1.232 90 HA VAL 11 HA VAL 11 7.572 -7.914 -4.070 91 HB VAL 11 HB VAL 11 8.235 -5.890 -2.688 92 1HG1 VAL 11 HG11 VAL 11 10.166 -6.038 -1.276 93 2HG1 VAL 11 HG12 VAL 11 10.447 -7.714 -1.737 94 3HG1 VAL 11 HG13 VAL 11 9.044 -7.290 -0.755 95 1HG2 VAL 11 HG21 VAL 11 10.034 -7.444 -4.482 96 2HG2 VAL 11 HG22 VAL 11 10.730 -6.060 -3.640 97 3HG2 VAL 11 HG23 VAL 11 9.339 -5.838 -4.702 98 H GLU 12 HN GLU 12 8.326 -9.813 -4.784 99 HA GLU 12 HA GLU 12 9.331 -11.904 -3.051 100 1HB GLU 12 HB2 GLU 12 8.891 -11.407 -5.977 101 2HB GLU 12 HB1 GLU 12 9.801 -12.835 -5.478 102 1HG GLU 12 HG2 GLU 12 7.929 -13.531 -4.041 103 2HG GLU 12 HG1 GLU 12 7.028 -12.088 -4.503 104 H SER 13 HN SER 13 10.811 -9.136 -4.212 105 HA SER 13 HA SER 13 13.499 -10.418 -4.493 106 1HB SER 13 HB2 SER 13 12.440 -8.776 -6.190 107 2HB SER 13 HB1 SER 13 12.719 -7.531 -4.979 108 HG SER 13 HG SER 13 14.724 -7.522 -5.571 109 H THR 14 HN THR 14 14.828 -10.314 -2.696 110 HA THR 14 HA THR 14 14.025 -8.965 -0.287 111 HB THR 14 HB THR 14 16.847 -9.794 -0.910 112 HG1 THR 14 HG1 THR 14 14.545 -11.414 -0.649 113 1HG2 THR 14 HG21 THR 14 16.263 -8.926 1.331 114 2HG2 THR 14 HG22 THR 14 16.724 -10.627 1.401 115 3HG2 THR 14 HG23 THR 14 15.022 -10.171 1.479 116 H ALA 15 HN ALA 15 16.544 -8.138 -2.732 117 HA ALA 15 HA ALA 15 17.630 -5.858 -1.483 118 1HB ALA 15 HB1 ALA 15 18.150 -7.035 -3.748 119 2HB ALA 15 HB2 ALA 15 18.368 -5.287 -3.672 120 3HB ALA 15 HB3 ALA 15 16.922 -5.962 -4.421 121 H ILE 16 HN ILE 16 14.861 -5.978 -3.729 122 HA ILE 16 HA ILE 16 14.079 -3.245 -3.454 123 HB ILE 16 HB ILE 16 12.538 -5.787 -4.097 124 1HG1 ILE 16 HG12 ILE 16 13.692 -3.758 -6.016 125 2HG1 ILE 16 HG11 ILE 16 14.633 -5.138 -5.453 126 1HG2 ILE 16 HG21 ILE 16 11.871 -2.968 -4.962 127 2HG2 ILE 16 HG22 ILE 16 11.172 -3.696 -3.516 128 3HG2 ILE 16 HG23 ILE 16 10.870 -4.413 -5.099 129 1HD1 ILE 16 HD11 ILE 16 12.079 -6.125 -6.223 130 2HD1 ILE 16 HD12 ILE 16 13.633 -6.425 -7.000 131 3HD1 ILE 16 HD13 ILE 16 12.639 -5.064 -7.516 132 H LEU 17 HN LEU 17 13.034 -6.217 -1.776 133 HA LEU 17 HA LEU 17 11.087 -5.091 -0.037 134 1HB LEU 17 HB2 LEU 17 11.292 -7.459 -0.084 135 2HB LEU 17 HB1 LEU 17 13.039 -7.391 0.051 136 HG LEU 17 HG LEU 17 11.635 -8.119 2.125 137 1HD1 LEU 17 HD11 LEU 17 13.497 -5.966 2.921 138 2HD1 LEU 17 HD12 LEU 17 14.143 -7.131 1.765 139 3HD1 LEU 17 HD13 LEU 17 13.520 -7.685 3.319 140 1HD2 LEU 17 HD21 LEU 17 10.291 -6.582 3.093 141 2HD2 LEU 17 HD22 LEU 17 10.580 -5.515 1.724 142 3HD2 LEU 17 HD23 LEU 17 11.609 -5.415 3.152 143 H GLN 18 HN GLN 18 14.593 -5.459 0.298 144 HA GLN 18 HA GLN 18 14.738 -4.168 2.896 145 1HB GLN 18 HB2 GLN 18 16.759 -4.782 0.721 146 2HB GLN 18 HB1 GLN 18 17.192 -4.181 2.319 147 1HG GLN 18 HG2 GLN 18 15.698 -6.200 3.140 148 2HG GLN 18 HG1 GLN 18 16.075 -6.846 1.543 149 1HE2 GLN 18 HE21 GLN 18 18.537 -6.786 0.983 150 2HE2 GLN 18 HE22 GLN 18 19.614 -7.123 2.251 151 H ASP 19 HN ASP 19 15.782 -3.082 -0.372 152 HA ASP 19 HA ASP 19 16.500 -0.452 0.282 153 1HB ASP 19 HB2 ASP 19 15.098 -1.556 -2.176 154 2HB ASP 19 HB1 ASP 19 15.937 -0.005 -2.111 155 H CYS 20 HN CYS 20 13.245 -1.710 -0.542 156 HA CYS 20 HA CYS 20 11.874 0.805 -0.411 157 1HB CYS 20 HB2 CYS 20 11.109 -2.095 -0.038 158 2HB CYS 20 HB1 CYS 20 9.909 -0.810 0.088 159 HG CYS 20 HG CYS 20 10.128 -0.326 -2.386 160 H GLN 21 HN GLN 21 12.433 -1.720 2.056 161 HA GLN 21 HA GLN 21 11.057 -0.241 4.155 162 1HB GLN 21 HB2 GLN 21 12.810 -2.693 3.970 163 2HB GLN 21 HB1 GLN 21 12.240 -2.093 5.529 164 1HG GLN 21 HG2 GLN 21 9.890 -2.096 4.442 165 2HG GLN 21 HG1 GLN 21 10.614 -3.128 3.208 166 1HE2 GLN 21 HE21 GLN 21 12.499 -4.320 5.254 167 2HE2 GLN 21 HE22 GLN 21 11.548 -5.396 6.158 168 H ARG 22 HN ARG 22 14.404 -0.623 3.080 169 HA ARG 22 HA ARG 22 15.800 0.475 5.277 170 1HB ARG 22 HB2 ARG 22 16.135 0.471 2.280 171 2HB ARG 22 HB1 ARG 22 17.315 1.288 3.307 172 1HG ARG 22 HG2 ARG 22 17.749 -0.771 4.532 173 2HG ARG 22 HG1 ARG 22 16.473 -1.603 3.645 174 1HD ARG 22 HD2 ARG 22 17.705 -1.456 1.572 175 2HD ARG 22 HD1 ARG 22 18.910 -0.379 2.310 176 HE ARG 22 HE ARG 22 18.577 -2.931 3.714 177 1HH1 ARG 22 HH11 ARG 22 20.192 -1.177 1.215 178 2HH1 ARG 22 HH12 ARG 22 21.602 -2.180 1.248 179 1HH2 ARG 22 HH21 ARG 22 20.414 -4.240 3.776 180 2HH2 ARG 22 HH22 ARG 22 21.724 -3.922 2.688 181 H ALA 23 HN ALA 23 14.313 2.121 2.479 182 HA ALA 23 HA ALA 23 14.915 4.798 3.312 183 1HB ALA 23 HB1 ALA 23 14.058 3.824 1.064 184 2HB ALA 23 HB2 ALA 23 13.396 5.378 1.567 185 3HB ALA 23 HB3 ALA 23 12.454 3.905 1.791 186 H LEU 24 HN LEU 24 12.088 2.674 3.862 187 HA LEU 24 HA LEU 24 10.767 4.623 5.635 188 1HB LEU 24 HB2 LEU 24 10.210 1.708 4.983 189 2HB LEU 24 HB1 LEU 24 9.071 2.854 5.692 190 HG LEU 24 HG LEU 24 10.332 3.062 2.945 191 1HD1 LEU 24 HD11 LEU 24 7.599 2.321 3.962 192 2HD1 LEU 24 HD12 LEU 24 8.579 1.514 2.738 193 3HD1 LEU 24 HD13 LEU 24 7.795 3.050 2.368 194 1HD2 LEU 24 HD21 LEU 24 8.806 4.933 4.684 195 2HD2 LEU 24 HD22 LEU 24 8.440 4.930 2.962 196 3HD2 LEU 24 HD23 LEU 24 10.077 5.272 3.517 197 H SER 25 HN SER 25 13.166 4.268 6.806 198 HA SER 25 HA SER 25 12.948 2.049 8.780 199 1HB SER 25 HB2 SER 25 15.331 2.687 9.215 200 2HB SER 25 HB1 SER 25 15.026 2.254 7.536 201 HG SER 25 HG SER 25 16.181 4.369 8.234 202 H ALA 26 HN ALA 26 12.083 5.294 8.586 203 HA ALA 26 HA ALA 26 12.839 6.752 10.738 204 1HB ALA 26 HB1 ALA 26 10.879 7.823 10.300 205 2HB ALA 26 HB2 ALA 26 9.925 6.412 10.755 206 3HB ALA 26 HB3 ALA 26 10.577 6.548 9.124 207 H ASP 27 HN ASP 27 12.526 6.757 13.017 208 HA ASP 27 HA ASP 27 12.520 4.259 14.370 209 1HB ASP 27 HB2 ASP 27 12.005 7.122 15.194 210 2HB ASP 27 HB1 ASP 27 12.078 5.813 16.371 211 H ARG 28 HN ARG 28 9.852 5.961 13.027 212 HA ARG 28 HA ARG 28 7.957 4.564 14.886 213 1HB ARG 28 HB2 ARG 28 6.385 6.316 14.189 214 2HB ARG 28 HB1 ARG 28 7.890 7.044 14.752 215 1HG ARG 28 HG2 ARG 28 8.649 7.411 12.504 216 2HG ARG 28 HG1 ARG 28 7.333 6.442 11.840 217 1HD ARG 28 HD2 ARG 28 5.739 8.101 12.212 218 2HD ARG 28 HD1 ARG 28 6.662 8.828 13.543 219 HE ARG 28 HE ARG 28 8.024 8.922 10.945 220 1HH1 ARG 28 HH11 ARG 28 5.873 10.459 13.175 221 2HH1 ARG 28 HH12 ARG 28 6.151 12.046 12.544 222 1HH2 ARG 28 HH21 ARG 28 8.377 10.986 10.108 223 2HH2 ARG 28 HH22 ARG 28 7.560 12.346 10.806 224 H TYR 29 HN TYR 29 9.310 3.486 12.268 225 HA TYR 29 HA TYR 29 6.858 3.111 10.631 226 1HB TYR 29 HB2 TYR 29 9.799 2.937 10.253 227 2HB TYR 29 HB1 TYR 29 8.812 1.859 9.270 228 HD1 TYR 29 HD1 TYR 29 6.351 3.737 9.082 229 HD2 TYR 29 HD2 TYR 29 10.547 4.367 8.496 230 HE1 TYR 29 HE1 TYR 29 5.850 5.622 7.573 231 HE2 TYR 29 HE2 TYR 29 10.054 6.254 6.979 232 HH TYR 29 HH TYR 29 6.887 7.586 6.660 233 H GLN 30 HN GLN 30 5.828 1.176 10.466 234 HA GLN 30 HA GLN 30 7.080 -1.199 11.821 235 1HB GLN 30 HB2 GLN 30 5.190 -0.354 13.114 236 2HB GLN 30 HB1 GLN 30 4.191 -0.262 11.662 237 1HG GLN 30 HG2 GLN 30 4.327 -2.706 11.400 238 2HG GLN 30 HG1 GLN 30 5.337 -2.811 12.842 239 1HE2 GLN 30 HE21 GLN 30 2.547 -0.620 12.504 240 2HE2 GLN 30 HE22 GLN 30 1.597 -1.377 13.688 241 H LEU 31 HN LEU 31 7.962 -1.836 9.753 242 HA LEU 31 HA LEU 31 6.096 -2.203 7.503 243 1HB LEU 31 HB2 LEU 31 9.058 -2.738 7.765 244 2HB LEU 31 HB1 LEU 31 8.147 -2.523 6.273 245 HG LEU 31 HG LEU 31 7.788 -0.299 8.143 246 1HD1 LEU 31 HD11 LEU 31 9.936 0.078 8.704 247 2HD1 LEU 31 HD12 LEU 31 10.344 0.186 6.992 248 3HD1 LEU 31 HD13 LEU 31 10.439 -1.366 7.823 249 1HD2 LEU 31 HD21 LEU 31 7.323 -0.656 5.559 250 2HD2 LEU 31 HD22 LEU 31 8.996 -0.122 5.405 251 3HD2 LEU 31 HD23 LEU 31 7.801 0.927 6.170 252 H GLN 32 HN GLN 32 5.333 -4.120 6.831 253 HA GLN 32 HA GLN 32 6.367 -6.624 8.111 254 1HB GLN 32 HB2 GLN 32 4.021 -6.010 8.644 255 2HB GLN 32 HB1 GLN 32 3.652 -5.945 6.919 256 1HG GLN 32 HG2 GLN 32 2.951 -8.111 7.706 257 2HG GLN 32 HG1 GLN 32 4.422 -8.351 6.762 258 1HE2 GLN 32 HE21 GLN 32 5.892 -9.709 7.789 259 2HE2 GLN 32 HE22 GLN 32 6.074 -9.860 9.469 260 H VAL 33 HN VAL 33 7.219 -8.125 6.653 261 HA VAL 33 HA VAL 33 7.120 -7.353 3.773 262 HB VAL 33 HB VAL 33 8.925 -9.273 5.261 263 1HG1 VAL 33 HG11 VAL 33 9.106 -7.900 2.563 264 2HG1 VAL 33 HG12 VAL 33 8.897 -9.626 2.851 265 3HG1 VAL 33 HG13 VAL 33 10.409 -8.837 3.296 266 1HG2 VAL 33 HG21 VAL 33 9.056 -6.297 4.772 267 2HG2 VAL 33 HG22 VAL 33 10.525 -7.242 5.001 268 3HG2 VAL 33 HG23 VAL 33 9.316 -7.176 6.282 269 H CYS 34 HN CYS 34 6.041 -8.593 2.333 270 HA CYS 34 HA CYS 34 5.217 -11.354 3.197 271 1HB CYS 34 HB2 CYS 34 3.854 -9.286 1.443 272 2HB CYS 34 HB1 CYS 34 3.241 -10.918 1.709 273 HG CYS 34 HG CYS 34 3.714 -9.150 4.224 274 H GLU 35 HN GLU 35 6.194 -12.924 1.980 275 HA GLU 35 HA GLU 35 7.642 -12.243 -0.475 276 1HB GLU 35 HB2 GLU 35 7.158 -14.747 1.154 277 2HB GLU 35 HB1 GLU 35 8.120 -14.754 -0.323 278 1HG GLU 35 HG2 GLU 35 9.549 -12.938 0.686 279 2HG GLU 35 HG1 GLU 35 8.663 -13.161 2.196 280 H SER 36 HN SER 36 4.426 -12.861 0.105 281 HA SER 36 HA SER 36 4.058 -13.945 -2.666 282 1HB SER 36 HB2 SER 36 2.420 -14.714 -0.237 283 2HB SER 36 HB1 SER 36 2.425 -15.492 -1.817 284 HG SER 36 HG SER 36 4.737 -15.877 -1.354 285 H GLY 37 HN GLY 37 1.443 -13.726 -3.068 286 1HA GLY 37 HA2 GLY 37 0.843 -10.869 -2.486 287 2HA GLY 37 HA1 GLY 37 0.099 -11.829 -3.775 288 H GLU 38 HN GLU 38 -0.099 -14.140 -1.982 289 HA GLU 38 HA GLU 38 -2.730 -13.649 -0.872 290 1HB GLU 38 HB2 GLU 38 -0.691 -15.891 -0.904 291 2HB GLU 38 HB1 GLU 38 -2.252 -16.056 -0.125 292 1HG GLU 38 HG2 GLU 38 -3.331 -15.399 -2.309 293 2HG GLU 38 HG1 GLU 38 -1.730 -15.488 -3.045 294 H MET 39 HN MET 39 0.577 -13.857 0.275 295 HA MET 39 HA MET 39 0.007 -13.979 3.098 296 1HB MET 39 HB2 MET 39 2.331 -13.298 1.310 297 2HB MET 39 HB1 MET 39 2.474 -13.068 3.053 298 1HG MET 39 HG2 MET 39 1.835 -15.416 3.424 299 2HG MET 39 HG1 MET 39 1.678 -15.651 1.683 300 1HE MET 39 HE1 MET 39 4.712 -17.725 2.091 301 2HE MET 39 HE2 MET 39 2.957 -17.600 1.977 302 3HE MET 39 HE3 MET 39 3.743 -17.519 3.552 303 H LEU 40 HN LEU 40 0.763 -11.340 0.836 304 HA LEU 40 HA LEU 40 0.797 -9.159 2.642 305 1HB LEU 40 HB2 LEU 40 1.292 -9.397 0.092 306 2HB LEU 40 HB1 LEU 40 -0.437 -9.136 -0.124 307 HG LEU 40 HG LEU 40 0.571 -6.985 -0.316 308 1HD1 LEU 40 HD11 LEU 40 -0.339 -7.209 2.562 309 2HD1 LEU 40 HD12 LEU 40 -1.443 -7.171 1.186 310 3HD1 LEU 40 HD13 LEU 40 -0.413 -5.782 1.533 311 1HD2 LEU 40 HD21 LEU 40 1.919 -7.304 2.355 312 2HD2 LEU 40 HD22 LEU 40 2.310 -6.187 1.049 313 3HD2 LEU 40 HD23 LEU 40 2.699 -7.900 0.891 314 H LEU 41 HN LEU 41 -1.932 -10.651 0.876 315 HA LEU 41 HA LEU 41 -4.009 -8.957 1.816 316 1HB LEU 41 HB2 LEU 41 -3.993 -11.924 1.171 317 2HB LEU 41 HB1 LEU 41 -5.427 -10.900 1.218 318 HG LEU 41 HG LEU 41 -3.058 -10.382 -0.593 319 1HD1 LEU 41 HD11 LEU 41 -4.886 -11.131 -2.327 320 2HD1 LEU 41 HD12 LEU 41 -5.582 -11.977 -0.944 321 3HD1 LEU 41 HD13 LEU 41 -3.945 -12.359 -1.481 322 1HD2 LEU 41 HD21 LEU 41 -4.516 -8.783 -1.647 323 2HD2 LEU 41 HD22 LEU 41 -4.584 -8.469 0.088 324 3HD2 LEU 41 HD23 LEU 41 -5.898 -9.339 -0.705 325 H GLU 42 HN GLU 42 -2.574 -11.895 3.217 326 HA GLU 42 HA GLU 42 -4.368 -12.297 5.368 327 1HB GLU 42 HB2 GLU 42 -2.503 -13.796 4.607 328 2HB GLU 42 HB1 GLU 42 -1.356 -12.670 5.338 329 1HG GLU 42 HG2 GLU 42 -2.667 -12.956 7.512 330 2HG GLU 42 HG1 GLU 42 -3.476 -14.313 6.730 331 H TYR 43 HN TYR 43 -1.469 -10.199 5.182 332 HA TYR 43 HA TYR 43 -1.585 -9.338 7.933 333 1HB TYR 43 HB2 TYR 43 0.447 -9.095 6.700 334 2HB TYR 43 HB1 TYR 43 -0.371 -8.254 5.382 335 HD1 TYR 43 HD1 TYR 43 0.721 -7.968 8.916 336 HD2 TYR 43 HD2 TYR 43 -0.836 -5.914 5.485 337 HE1 TYR 43 HE1 TYR 43 1.145 -5.791 10.026 338 HE2 TYR 43 HE2 TYR 43 -0.413 -3.738 6.589 339 HH TYR 43 HH TYR 43 1.550 -3.398 9.275 340 H ALA 44 HN ALA 44 -2.921 -8.027 4.912 341 HA ALA 44 HA ALA 44 -4.081 -5.702 6.283 342 1HB ALA 44 HB1 ALA 44 -4.225 -4.908 4.155 343 2HB ALA 44 HB2 ALA 44 -4.941 -6.402 3.549 344 3HB ALA 44 HB3 ALA 44 -3.194 -6.280 3.753 345 H GLN 45 HN GLN 45 -5.192 -8.874 5.148 346 HA GLN 45 HA GLN 45 -7.976 -8.486 5.050 347 1HB GLN 45 HB2 GLN 45 -6.133 -10.732 5.802 348 2HB GLN 45 HB1 GLN 45 -7.876 -10.952 5.985 349 1HG GLN 45 HG2 GLN 45 -8.280 -10.552 3.694 350 2HG GLN 45 HG1 GLN 45 -6.667 -9.891 3.444 351 1HE2 GLN 45 HE21 GLN 45 -7.127 -11.800 1.669 352 2HE2 GLN 45 HE22 GLN 45 -6.446 -13.295 2.096 353 H THR 46 HN THR 46 -5.901 -8.253 7.791 354 HA THR 46 HA THR 46 -8.299 -8.295 9.592 355 HB THR 46 HB THR 46 -6.928 -9.426 11.177 356 HG1 THR 46 HG1 THR 46 -5.109 -8.028 10.866 357 1HG2 THR 46 HG21 THR 46 -6.533 -11.405 10.040 358 2HG2 THR 46 HG22 THR 46 -5.673 -10.597 8.730 359 3HG2 THR 46 HG23 THR 46 -7.434 -10.553 8.785 360 H HIS 47 HN HIS 47 -5.961 -6.393 8.180 361 HA HIS 47 HA HIS 47 -6.269 -4.276 10.256 362 1HB HIS 47 HB2 HIS 47 -3.748 -5.458 9.061 363 2HB HIS 47 HB1 HIS 47 -3.754 -3.862 9.813 364 HD1 HIS 47 HD1 HIS 47 -2.248 -6.431 10.985 365 HD2 HIS 47 HD2 HIS 47 -5.938 -4.974 12.272 366 HE1 HIS 47 HE1 HIS 47 -2.566 -7.275 13.357 367 H ARG 48 HN ARG 48 -7.530 -4.689 7.656 368 HA ARG 48 HA ARG 48 -6.429 -3.454 5.411 369 1HB ARG 48 HB2 ARG 48 -9.200 -2.623 6.145 370 2HB ARG 48 HB1 ARG 48 -8.602 -3.295 4.637 371 1HG ARG 48 HG2 ARG 48 -8.336 -5.502 5.953 372 2HG ARG 48 HG1 ARG 48 -9.372 -4.747 7.161 373 1HD ARG 48 HD2 ARG 48 -11.053 -4.298 5.347 374 2HD ARG 48 HD1 ARG 48 -10.047 -5.250 4.246 375 HE ARG 48 HE ARG 48 -10.278 -7.000 6.282 376 1HH1 ARG 48 HH11 ARG 48 -12.658 -4.912 4.858 377 2HH1 ARG 48 HH12 ARG 48 -13.955 -6.029 5.104 378 1HH2 ARG 48 HH21 ARG 48 -11.978 -8.463 6.556 379 2HH2 ARG 48 HH22 ARG 48 -13.576 -8.024 6.055 380 H ASP 49 HN ASP 49 -8.388 -1.769 7.843 381 HA ASP 49 HA ASP 49 -7.564 0.872 6.867 382 1HB ASP 49 HB2 ASP 49 -9.050 1.584 8.749 383 2HB ASP 49 HB1 ASP 49 -9.816 0.407 7.679 384 H GLN 50 HN GLN 50 -6.096 -1.386 8.889 385 HA GLN 50 HA GLN 50 -4.930 0.608 10.740 386 1HB GLN 50 HB2 GLN 50 -4.757 -2.395 10.398 387 2HB GLN 50 HB1 GLN 50 -3.821 -1.521 11.612 388 1HG GLN 50 HG2 GLN 50 -6.842 -1.547 11.354 389 2HG GLN 50 HG1 GLN 50 -5.894 -2.326 12.622 390 1HE2 GLN 50 HE21 GLN 50 -7.895 0.106 12.560 391 2HE2 GLN 50 HE22 GLN 50 -7.067 1.303 13.435 392 H ILE 51 HN ILE 51 -4.285 -0.471 7.627 393 HA ILE 51 HA ILE 51 -1.340 -0.481 7.867 394 HB ILE 51 HB ILE 51 -3.164 -0.514 5.439 395 1HG1 ILE 51 HG12 ILE 51 -3.804 -2.522 6.344 396 2HG1 ILE 51 HG11 ILE 51 -2.291 -3.061 5.633 397 1HG2 ILE 51 HG21 ILE 51 -0.317 -1.502 5.747 398 2HG2 ILE 51 HG22 ILE 51 -0.739 0.086 5.108 399 3HG2 ILE 51 HG23 ILE 51 -1.249 -1.369 4.255 400 1HD1 ILE 51 HD11 ILE 51 -2.831 -2.339 8.519 401 2HD1 ILE 51 HD12 ILE 51 -1.194 -2.459 7.873 402 3HD1 ILE 51 HD13 ILE 51 -2.249 -3.873 7.872 403 H ASP 52 HN ASP 52 -0.148 1.399 7.722 404 HA ASP 52 HA ASP 52 -1.510 3.922 7.008 405 1HB ASP 52 HB2 ASP 52 1.029 3.029 8.297 406 2HB ASP 52 HB1 ASP 52 0.989 4.646 7.595 407 H CYS 53 HN CYS 53 0.533 1.595 5.431 408 HA CYS 53 HA CYS 53 0.471 3.097 2.942 409 1HB CYS 53 HB2 CYS 53 2.444 3.758 4.848 410 2HB CYS 53 HB1 CYS 53 3.273 2.828 3.600 411 HG CYS 53 HG CYS 53 1.892 4.596 1.918 412 H LEU 54 HN LEU 54 0.187 1.353 1.544 413 HA LEU 54 HA LEU 54 1.690 -1.171 2.116 414 1HB LEU 54 HB2 LEU 54 -0.861 -0.893 1.645 415 2HB LEU 54 HB1 LEU 54 -0.368 -0.730 -0.040 416 HG LEU 54 HG LEU 54 0.630 -3.026 1.638 417 1HD1 LEU 54 HD11 LEU 54 -1.604 -3.530 1.877 418 2HD1 LEU 54 HD12 LEU 54 -1.347 -4.197 0.264 419 3HD1 LEU 54 HD13 LEU 54 -2.072 -2.600 0.453 420 1HD2 LEU 54 HD21 LEU 54 0.239 -3.890 -0.933 421 2HD2 LEU 54 HD22 LEU 54 1.763 -3.241 -0.326 422 3HD2 LEU 54 HD23 LEU 54 0.642 -2.192 -1.194 423 H ILE 55 HN ILE 55 3.343 -1.874 0.716 424 HA ILE 55 HA ILE 55 3.981 -0.046 -1.574 425 HB ILE 55 HB ILE 55 5.650 -2.099 -0.095 426 1HG1 ILE 55 HG12 ILE 55 5.914 0.906 0.012 427 2HG1 ILE 55 HG11 ILE 55 4.904 0.019 1.156 428 1HG2 ILE 55 HG21 ILE 55 7.537 -0.921 -1.270 429 2HG2 ILE 55 HG22 ILE 55 6.330 -0.056 -2.222 430 3HG2 ILE 55 HG23 ILE 55 6.466 -1.809 -2.355 431 1HD1 ILE 55 HD11 ILE 55 7.461 0.496 1.686 432 2HD1 ILE 55 HD12 ILE 55 7.695 -0.946 0.700 433 3HD1 ILE 55 HD13 ILE 55 6.704 -1.018 2.159 434 H LEU 56 HN LEU 56 4.112 -0.920 -3.668 435 HA LEU 56 HA LEU 56 3.734 -3.867 -3.922 436 1HB LEU 56 HB2 LEU 56 2.051 -1.625 -5.047 437 2HB LEU 56 HB1 LEU 56 1.987 -3.272 -5.684 438 HG LEU 56 HG LEU 56 1.539 -2.526 -2.783 439 1HD1 LEU 56 HD11 LEU 56 -0.638 -2.217 -3.265 440 2HD1 LEU 56 HD12 LEU 56 -0.700 -3.716 -4.192 441 3HD1 LEU 56 HD13 LEU 56 -0.187 -2.219 -4.970 442 1HD2 LEU 56 HD21 LEU 56 1.533 -5.105 -4.343 443 2HD2 LEU 56 HD22 LEU 56 0.579 -4.944 -2.870 444 3HD2 LEU 56 HD23 LEU 56 2.329 -4.743 -2.808 445 H VAL 57 HN VAL 57 4.407 -4.718 -5.933 446 HA VAL 57 HA VAL 57 6.235 -2.913 -7.487 447 HB VAL 57 HB VAL 57 6.284 -5.932 -7.189 448 1HG1 VAL 57 HG11 VAL 57 7.960 -5.850 -8.682 449 2HG1 VAL 57 HG12 VAL 57 8.819 -4.661 -7.702 450 3HG1 VAL 57 HG13 VAL 57 7.641 -4.131 -8.904 451 1HG2 VAL 57 HG21 VAL 57 7.549 -5.758 -5.287 452 2HG2 VAL 57 HG22 VAL 57 6.691 -4.227 -5.112 453 3HG2 VAL 57 HG23 VAL 57 8.310 -4.256 -5.810 454 H ALA 58 HN ALA 58 5.372 -2.453 -9.500 455 HA ALA 58 HA ALA 58 3.183 -4.035 -10.599 456 1HB ALA 58 HB1 ALA 58 3.977 -1.479 -10.776 457 2HB ALA 58 HB2 ALA 58 2.998 -2.248 -12.027 458 3HB ALA 58 HB3 ALA 58 4.744 -2.103 -12.236 459 H ALA 59 HN ALA 59 6.439 -4.639 -10.434 460 HA ALA 59 HA ALA 59 6.898 -5.596 -13.163 461 1HB ALA 59 HB1 ALA 59 8.945 -5.178 -12.273 462 2HB ALA 59 HB2 ALA 59 8.776 -6.735 -11.462 463 3HB ALA 59 HB3 ALA 59 8.321 -5.251 -10.623 464 H ASN 60 HN ASN 60 5.225 -6.765 -10.443 465 HA ASN 60 HA ASN 60 5.761 -9.616 -10.811 466 1HB ASN 60 HB2 ASN 60 4.048 -7.819 -9.162 467 2HB ASN 60 HB1 ASN 60 3.539 -9.502 -9.308 468 1HD2 ASN 60 HD21 ASN 60 5.562 -11.102 -9.005 469 2HD2 ASN 60 HD22 ASN 60 6.584 -10.722 -7.704 470 HA PRO 61 HA PRO 61 2.787 -10.367 -13.954 471 1HB PRO 61 HB2 PRO 61 2.221 -12.984 -13.457 472 2HB PRO 61 HB1 PRO 61 3.769 -12.445 -14.135 473 1HG PRO 61 HG2 PRO 61 3.110 -13.295 -11.374 474 2HG PRO 61 HG1 PRO 61 4.606 -13.496 -12.296 475 1HD PRO 61 HD2 PRO 61 4.179 -11.589 -10.327 476 2HD PRO 61 HD1 PRO 61 5.449 -11.523 -11.569 477 H SER 62 HN SER 62 1.719 -12.058 -10.981 478 HA SER 62 HA SER 62 -1.102 -11.499 -11.623 479 1HB SER 62 HB2 SER 62 -1.295 -12.779 -9.362 480 2HB SER 62 HB1 SER 62 -0.682 -13.647 -10.767 481 HG SER 62 HG SER 62 0.511 -13.477 -8.523 482 H PHE 63 HN PHE 63 1.278 -9.678 -10.195 483 HA PHE 63 HA PHE 63 0.362 -8.679 -7.773 484 1HB PHE 63 HB2 PHE 63 2.334 -7.777 -8.599 485 2HB PHE 63 HB1 PHE 63 1.676 -7.550 -10.217 486 HD1 PHE 63 HD1 PHE 63 1.488 -5.326 -10.840 487 HD2 PHE 63 HD2 PHE 63 0.769 -6.401 -6.745 488 HE1 PHE 63 HE1 PHE 63 0.988 -2.963 -10.311 489 HE2 PHE 63 HE2 PHE 63 0.269 -4.037 -6.213 490 HZ PHE 63 HZ PHE 63 0.383 -2.311 -7.993 491 H ARG 64 HN ARG 64 -0.729 -7.552 -11.008 492 HA ARG 64 HA ARG 64 -2.648 -5.657 -10.269 493 1HB ARG 64 HB2 ARG 64 -2.875 -7.853 -12.365 494 2HB ARG 64 HB1 ARG 64 -3.759 -6.330 -12.379 495 1HG ARG 64 HG2 ARG 64 -0.746 -6.618 -12.563 496 2HG ARG 64 HG1 ARG 64 -1.826 -6.238 -13.901 497 1HD ARG 64 HD2 ARG 64 -2.605 -4.296 -12.235 498 2HD ARG 64 HD1 ARG 64 -0.946 -4.507 -11.637 499 HE ARG 64 HE ARG 64 -1.670 -3.422 -14.232 500 1HH1 ARG 64 HH11 ARG 64 0.613 -5.348 -12.498 501 2HH1 ARG 64 HH12 ARG 64 1.919 -4.997 -13.578 502 1HH2 ARG 64 HH21 ARG 64 0.034 -2.964 -15.647 503 2HH2 ARG 64 HH22 ARG 64 1.596 -3.649 -15.351 504 H ALA 65 HN ALA 65 -3.091 -9.162 -10.617 505 HA ALA 65 HA ALA 65 -5.804 -9.333 -9.773 506 1HB ALA 65 HB1 ALA 65 -4.106 -11.567 -8.945 507 2HB ALA 65 HB2 ALA 65 -3.707 -11.013 -10.571 508 3HB ALA 65 HB3 ALA 65 -5.351 -11.526 -10.191 509 H VAL 66 HN VAL 66 -2.792 -9.661 -7.876 510 HA VAL 66 HA VAL 66 -3.975 -10.194 -5.361 511 HB VAL 66 HB VAL 66 -1.472 -8.715 -6.191 512 1HG1 VAL 66 HG11 VAL 66 -2.213 -9.900 -3.497 513 2HG1 VAL 66 HG12 VAL 66 -2.057 -8.178 -3.850 514 3HG1 VAL 66 HG13 VAL 66 -0.640 -9.227 -3.917 515 1HG2 VAL 66 HG21 VAL 66 -2.235 -11.574 -5.705 516 2HG2 VAL 66 HG22 VAL 66 -0.579 -11.062 -5.378 517 3HG2 VAL 66 HG23 VAL 66 -1.254 -10.887 -6.997 518 H VAL 67 HN VAL 67 -3.479 -7.088 -7.055 519 HA VAL 67 HA VAL 67 -4.102 -5.428 -4.775 520 HB VAL 67 HB VAL 67 -4.364 -4.933 -7.757 521 1HG1 VAL 67 HG11 VAL 67 -3.594 -2.619 -6.304 522 2HG1 VAL 67 HG12 VAL 67 -4.971 -3.318 -5.452 523 3HG1 VAL 67 HG13 VAL 67 -5.112 -2.897 -7.158 524 1HG2 VAL 67 HG21 VAL 67 -2.116 -5.494 -7.474 525 2HG2 VAL 67 HG22 VAL 67 -2.072 -4.902 -5.816 526 3HG2 VAL 67 HG23 VAL 67 -2.070 -3.762 -7.160 527 H GLN 68 HN GLN 68 -6.128 -6.613 -7.516 528 HA GLN 68 HA GLN 68 -8.526 -5.318 -6.676 529 1HB GLN 68 HB2 GLN 68 -9.622 -7.023 -8.087 530 2HB GLN 68 HB1 GLN 68 -8.158 -6.433 -8.873 531 1HG GLN 68 HG2 GLN 68 -7.114 -8.443 -8.710 532 2HG GLN 68 HG1 GLN 68 -7.741 -8.739 -7.093 533 1HE2 GLN 68 HE21 GLN 68 -8.446 -9.145 -10.535 534 2HE2 GLN 68 HE22 GLN 68 -9.768 -10.188 -10.315 535 H GLN 69 HN GLN 69 -6.887 -8.234 -5.532 536 HA GLN 69 HA GLN 69 -9.071 -9.320 -4.006 537 1HB GLN 69 HB2 GLN 69 -6.876 -10.428 -4.640 538 2HB GLN 69 HB1 GLN 69 -6.094 -9.433 -3.409 539 1HG GLN 69 HG2 GLN 69 -6.689 -11.670 -2.523 540 2HG GLN 69 HG1 GLN 69 -7.566 -10.390 -1.682 541 1HE2 GLN 69 HE21 GLN 69 -9.759 -10.856 -1.445 542 2HE2 GLN 69 HE22 GLN 69 -10.678 -11.801 -2.515 543 H LEU 70 HN LEU 70 -6.437 -7.040 -3.223 544 HA LEU 70 HA LEU 70 -7.086 -6.570 -0.494 545 1HB LEU 70 HB2 LEU 70 -5.744 -5.116 -2.750 546 2HB LEU 70 HB1 LEU 70 -6.119 -4.195 -1.295 547 HG LEU 70 HG LEU 70 -4.897 -6.840 -0.804 548 1HD1 LEU 70 HD11 LEU 70 -3.414 -6.461 -2.557 549 2HD1 LEU 70 HD12 LEU 70 -2.593 -5.617 -1.245 550 3HD1 LEU 70 HD13 LEU 70 -3.539 -4.707 -2.422 551 1HD2 LEU 70 HD21 LEU 70 -3.468 -4.726 0.398 552 2HD2 LEU 70 HD22 LEU 70 -4.686 -5.750 1.160 553 3HD2 LEU 70 HD23 LEU 70 -5.161 -4.225 0.412 554 H CYS 71 HN CYS 71 -8.026 -4.679 -3.388 555 HA CYS 71 HA CYS 71 -9.995 -3.041 -2.127 556 1HB CYS 71 HB2 CYS 71 -9.669 -4.107 -4.951 557 2HB CYS 71 HB1 CYS 71 -10.790 -2.817 -4.515 558 HG CYS 71 HG CYS 71 -7.686 -2.554 -4.200 559 H PHE 72 HN PHE 72 -10.164 -6.254 -3.610 560 HA PHE 72 HA PHE 72 -12.962 -6.647 -3.704 561 1HB PHE 72 HB2 PHE 72 -11.215 -8.126 -4.650 562 2HB PHE 72 HB1 PHE 72 -10.721 -8.582 -3.019 563 HD1 PHE 72 HD1 PHE 72 -11.848 -10.291 -1.845 564 HD2 PHE 72 HD2 PHE 72 -13.597 -8.605 -5.385 565 HE1 PHE 72 HE1 PHE 72 -13.603 -12.050 -1.812 566 HE2 PHE 72 HE2 PHE 72 -15.349 -10.361 -5.356 567 HZ PHE 72 HZ PHE 72 -15.352 -12.082 -3.569 568 H GLU 73 HN GLU 73 -10.674 -7.042 -1.027 569 HA GLU 73 HA GLU 73 -12.797 -7.928 0.826 570 1HB GLU 73 HB2 GLU 73 -9.912 -7.183 1.380 571 2HB GLU 73 HB1 GLU 73 -10.944 -8.250 2.329 572 1HG GLU 73 HG2 GLU 73 -10.484 -8.958 -0.541 573 2HG GLU 73 HG1 GLU 73 -9.164 -9.221 0.595 574 H GLY 74 HN GLY 74 -12.001 -5.001 -0.438 575 1HA GLY 74 HA2 GLY 74 -12.664 -2.846 0.262 576 2HA GLY 74 HA1 GLY 74 -13.180 -3.544 1.803 577 H VAL 75 HN VAL 75 -9.971 -4.156 0.526 578 HA VAL 75 HA VAL 75 -8.835 -2.732 2.877 579 HB VAL 75 HB VAL 75 -7.526 -4.543 0.825 580 1HG1 VAL 75 HG11 VAL 75 -6.753 -3.480 3.545 581 2HG1 VAL 75 HG12 VAL 75 -5.881 -3.307 2.024 582 3HG1 VAL 75 HG13 VAL 75 -5.952 -4.877 2.826 583 1HG2 VAL 75 HG21 VAL 75 -8.249 -6.385 1.962 584 2HG2 VAL 75 HG22 VAL 75 -9.544 -5.318 2.498 585 3HG2 VAL 75 HG23 VAL 75 -8.136 -5.582 3.528 586 H VAL 76 HN VAL 76 -9.027 -0.548 2.019 587 HA VAL 76 HA VAL 76 -7.313 -0.031 -0.379 588 HB VAL 76 HB VAL 76 -9.317 1.837 0.897 589 1HG1 VAL 76 HG11 VAL 76 -7.878 1.586 -1.723 590 2HG1 VAL 76 HG12 VAL 76 -8.104 3.009 -0.708 591 3HG1 VAL 76 HG13 VAL 76 -9.445 2.396 -1.673 592 1HG2 VAL 76 HG21 VAL 76 -10.480 0.624 -1.371 593 2HG2 VAL 76 HG22 VAL 76 -10.986 0.433 0.306 594 3HG2 VAL 76 HG23 VAL 76 -9.837 -0.702 -0.402 595 H VAL 77 HN VAL 77 -5.380 0.935 0.041 596 HA VAL 77 HA VAL 77 -5.116 2.678 2.453 597 HB VAL 77 HB VAL 77 -2.922 1.394 2.831 598 1HG1 VAL 77 HG11 VAL 77 -5.698 0.394 3.275 599 2HG1 VAL 77 HG12 VAL 77 -4.481 0.897 4.449 600 3HG1 VAL 77 HG13 VAL 77 -4.359 -0.680 3.670 601 1HG2 VAL 77 HG21 VAL 77 -2.793 -0.842 1.863 602 2HG2 VAL 77 HG22 VAL 77 -2.954 0.327 0.551 603 3HG2 VAL 77 HG23 VAL 77 -4.349 -0.623 1.064 604 HA PRO 78 HA PRO 78 -2.505 5.186 -0.084 605 1HB PRO 78 HB2 PRO 78 -0.489 5.818 1.685 606 2HB PRO 78 HB1 PRO 78 -2.107 6.541 1.777 607 1HG PRO 78 HG2 PRO 78 -0.978 4.244 3.305 608 2HG PRO 78 HG1 PRO 78 -1.940 5.614 3.893 609 1HD PRO 78 HD2 PRO 78 -3.042 3.211 3.476 610 2HD PRO 78 HD1 PRO 78 -3.930 4.710 3.106 611 H ALA 79 HN ALA 79 -1.935 3.296 -1.405 612 HA ALA 79 HA ALA 79 0.444 1.758 -0.629 613 1HB ALA 79 HB1 ALA 79 -1.565 0.651 -1.421 614 2HB ALA 79 HB2 ALA 79 -0.291 0.422 -2.620 615 3HB ALA 79 HB3 ALA 79 -1.557 1.620 -2.892 616 H ILE 80 HN ILE 80 2.448 2.010 -1.527 617 HA ILE 80 HA ILE 80 2.823 4.010 -3.712 618 HB ILE 80 HB ILE 80 4.789 2.595 -1.865 619 1HG1 ILE 80 HG12 ILE 80 3.857 5.458 -1.624 620 2HG1 ILE 80 HG11 ILE 80 2.978 4.150 -0.834 621 1HG2 ILE 80 HG21 ILE 80 6.335 4.365 -2.557 622 2HG2 ILE 80 HG22 ILE 80 5.086 5.082 -3.573 623 3HG2 ILE 80 HG23 ILE 80 5.748 3.498 -3.974 624 1HD1 ILE 80 HD11 ILE 80 5.735 5.182 -0.283 625 2HD1 ILE 80 HD12 ILE 80 5.405 3.473 0.008 626 3HD1 ILE 80 HD13 ILE 80 4.472 4.708 0.855 627 H VAL 81 HN VAL 81 3.358 3.246 -5.766 628 HA VAL 81 HA VAL 81 3.749 0.301 -6.075 629 HB VAL 81 HB VAL 81 3.004 2.452 -8.079 630 1HG1 VAL 81 HG11 VAL 81 1.876 0.117 -8.926 631 2HG1 VAL 81 HG12 VAL 81 3.347 -0.491 -8.170 632 3HG1 VAL 81 HG13 VAL 81 3.450 0.693 -9.473 633 1HG2 VAL 81 HG21 VAL 81 0.934 2.463 -7.179 634 2HG2 VAL 81 HG22 VAL 81 1.543 1.467 -5.857 635 3HG2 VAL 81 HG23 VAL 81 0.847 0.702 -7.285 636 H VAL 82 HN VAL 82 5.439 -0.512 -7.477 637 HA VAL 82 HA VAL 82 7.672 1.441 -7.970 638 HB VAL 82 HB VAL 82 7.848 -1.527 -7.401 639 1HG1 VAL 82 HG11 VAL 82 10.018 -1.194 -7.895 640 2HG1 VAL 82 HG12 VAL 82 10.117 -0.089 -6.522 641 3HG1 VAL 82 HG13 VAL 82 9.738 0.531 -8.129 642 1HG2 VAL 82 HG21 VAL 82 7.874 0.862 -5.541 643 2HG2 VAL 82 HG22 VAL 82 8.531 -0.710 -5.081 644 3HG2 VAL 82 HG23 VAL 82 6.817 -0.548 -5.469 645 H GLY 83 HN GLY 83 8.852 1.228 -9.902 646 1HA GLY 83 HA2 GLY 83 9.449 0.243 -12.009 647 2HA GLY 83 HA1 GLY 83 8.066 -0.844 -11.869 648 H ASP 84 HN ASP 84 6.339 -0.341 -13.132 649 HA ASP 84 HA ASP 84 4.879 0.902 -14.509 650 1HB ASP 84 HB2 ASP 84 5.812 2.735 -12.344 651 2HB ASP 84 HB1 ASP 84 4.916 3.445 -13.687 652 H ARG 85 HN ARG 85 6.511 0.500 -16.294 653 HA ARG 85 HA ARG 85 8.454 2.543 -16.961 654 1HB ARG 85 HB2 ARG 85 7.115 0.320 -18.531 655 2HB ARG 85 HB1 ARG 85 8.479 1.267 -19.131 656 1HG ARG 85 HG2 ARG 85 9.641 0.597 -16.909 657 2HG ARG 85 HG1 ARG 85 8.402 -0.654 -16.811 658 1HD ARG 85 HD2 ARG 85 10.019 -0.296 -19.336 659 2HD ARG 85 HD1 ARG 85 10.632 -1.278 -17.991 660 HE ARG 85 HE ARG 85 7.909 -1.993 -18.506 661 1HH1 ARG 85 HH11 ARG 85 11.106 -2.214 -19.799 662 2HH1 ARG 85 HH12 ARG 85 10.782 -3.656 -20.701 663 1HH2 ARG 85 HH21 ARG 85 7.469 -3.865 -19.687 664 2HH2 ARG 85 HH22 ARG 85 8.723 -4.600 -20.628 665 H ASP 86 HN ASP 86 8.271 3.763 -19.100 666 HA ASP 86 HA ASP 86 5.657 5.160 -19.173 667 1HB ASP 86 HB2 ASP 86 8.278 5.941 -19.213 668 2HB ASP 86 HB1 ASP 86 7.888 5.973 -20.933 669 H SER 87 HN SER 87 6.087 2.403 -20.438 670 HA SER 87 HA SER 87 6.207 2.681 -23.290 671 1HB SER 87 HB2 SER 87 4.886 0.423 -23.043 672 2HB SER 87 HB1 SER 87 6.538 0.526 -22.442 673 HG SER 87 HG SER 87 5.229 -0.350 -20.847 674 H GLU 88 HN GLU 88 4.631 3.249 -24.761 675 HA GLU 88 HA GLU 88 2.048 4.229 -23.738 676 1HB GLU 88 HB2 GLU 88 1.930 5.292 -25.848 677 2HB GLU 88 HB1 GLU 88 3.654 5.274 -25.496 678 1HG GLU 88 HG2 GLU 88 3.974 3.315 -26.901 679 2HG GLU 88 HG1 GLU 88 2.234 3.178 -27.164 680 H ASP 89 HN ASP 89 3.226 1.245 -24.588 681 HA ASP 89 HA ASP 89 1.481 0.035 -26.390 682 1HB ASP 89 HB2 ASP 89 2.902 -0.782 -23.879 683 2HB ASP 89 HB1 ASP 89 1.801 -1.934 -24.636 684 HA PRO 90 HA PRO 90 -2.452 0.483 -24.406 685 1HB PRO 90 HB2 PRO 90 -3.842 -1.244 -26.022 686 2HB PRO 90 HB1 PRO 90 -3.395 0.401 -26.516 687 1HG PRO 90 HG2 PRO 90 -2.141 -2.197 -27.228 688 2HG PRO 90 HG1 PRO 90 -2.354 -0.736 -28.203 689 1HD PRO 90 HD2 PRO 90 0.014 -1.459 -27.023 690 2HD PRO 90 HD1 PRO 90 -0.426 0.211 -27.442 691 H ASP 91 HN ASP 91 -1.109 -2.720 -25.162 692 HA ASP 91 HA ASP 91 -2.749 -4.311 -23.476 693 1HB ASP 91 HB2 ASP 91 0.117 -4.450 -24.424 694 2HB ASP 91 HB1 ASP 91 -0.565 -5.717 -23.405 695 H GLU 92 HN GLU 92 0.065 -2.283 -22.726 696 HA GLU 92 HA GLU 92 -0.376 -2.884 -19.819 697 1HB GLU 92 HB2 GLU 92 2.113 -2.374 -21.462 698 2HB GLU 92 HB1 GLU 92 2.121 -2.354 -19.698 699 1HG GLU 92 HG2 GLU 92 0.904 -4.672 -19.952 700 2HG GLU 92 HG1 GLU 92 1.628 -4.656 -21.560 701 HA PRO 93 HA PRO 93 -0.992 1.648 -20.465 702 1HB PRO 93 HB2 PRO 93 -3.446 1.770 -19.279 703 2HB PRO 93 HB1 PRO 93 -3.226 1.377 -20.995 704 1HG PRO 93 HG2 PRO 93 -3.840 -0.404 -18.713 705 2HG PRO 93 HG1 PRO 93 -4.336 -0.526 -20.405 706 1HD PRO 93 HD2 PRO 93 -2.308 -1.996 -19.204 707 2HD PRO 93 HD1 PRO 93 -2.527 -1.768 -20.953 708 H ALA 94 HN ALA 94 0.712 0.696 -18.522 709 HA ALA 94 HA ALA 94 0.078 0.724 -15.805 710 1HB ALA 94 HB1 ALA 94 2.403 1.795 -17.405 711 2HB ALA 94 HB2 ALA 94 2.296 0.269 -16.526 712 3HB ALA 94 HB3 ALA 94 2.424 1.791 -15.642 713 H LYS 95 HN LYS 95 -0.834 2.274 -14.454 714 HA LYS 95 HA LYS 95 -0.099 5.041 -14.490 715 1HB LYS 95 HB2 LYS 95 -1.291 4.951 -16.650 716 2HB LYS 95 HB1 LYS 95 -2.733 4.353 -15.830 717 1HG LYS 95 HG2 LYS 95 -3.309 6.424 -15.138 718 2HG LYS 95 HG1 LYS 95 -1.670 6.773 -14.587 719 1HD LYS 95 HD2 LYS 95 -1.890 8.303 -16.329 720 2HD LYS 95 HD1 LYS 95 -1.147 6.937 -17.160 721 1HE LYS 95 HE2 LYS 95 -3.638 6.185 -17.576 722 2HE LYS 95 HE1 LYS 95 -3.994 7.899 -17.285 723 1HZ LYS 95 HZ1 LYS 95 -2.537 8.559 -18.984 724 2HZ LYS 95 HZ2 LYS 95 -3.397 7.257 -19.655 725 3HZ LYS 95 HZ3 LYS 95 -1.813 7.029 -19.089 726 H GLU 96 HN GLU 96 -3.434 3.816 -14.168 727 HA GLU 96 HA GLU 96 -3.206 4.112 -11.191 728 1HB GLU 96 HB2 GLU 96 -5.331 5.220 -13.057 729 2HB GLU 96 HB1 GLU 96 -5.395 5.314 -11.296 730 1HG GLU 96 HG2 GLU 96 -3.250 6.570 -11.307 731 2HG GLU 96 HG1 GLU 96 -3.255 6.528 -13.073 732 H GLN 97 HN GLN 97 -3.324 1.789 -13.068 733 HA GLN 97 HA GLN 97 -5.972 0.590 -12.360 734 1HB GLN 97 HB2 GLN 97 -5.538 -0.836 -14.254 735 2HB GLN 97 HB1 GLN 97 -5.055 0.791 -14.747 736 1HG GLN 97 HG2 GLN 97 -2.713 0.255 -14.061 737 2HG GLN 97 HG1 GLN 97 -3.225 -1.400 -13.732 738 1HE2 GLN 97 HE21 GLN 97 -1.697 0.359 -16.040 739 2HE2 GLN 97 HE22 GLN 97 -2.147 -0.510 -17.424 740 H LEU 98 HN LEU 98 -2.656 0.569 -11.514 741 HA LEU 98 HA LEU 98 -2.279 -2.185 -10.779 742 1HB LEU 98 HB2 LEU 98 -1.046 0.397 -9.751 743 2HB LEU 98 HB1 LEU 98 -0.360 -1.214 -9.534 744 HG LEU 98 HG LEU 98 -0.767 0.277 -12.138 745 1HD1 LEU 98 HD11 LEU 98 1.265 0.894 -10.995 746 2HD1 LEU 98 HD12 LEU 98 1.711 -0.201 -12.302 747 3HD1 LEU 98 HD13 LEU 98 1.641 -0.795 -10.643 748 1HD2 LEU 98 HD21 LEU 98 0.525 -2.009 -12.836 749 2HD2 LEU 98 HD22 LEU 98 -1.224 -1.812 -12.951 750 3HD2 LEU 98 HD23 LEU 98 -0.515 -2.623 -11.554 751 H TYR 99 HN TYR 99 -3.486 0.678 -9.124 752 HA TYR 99 HA TYR 99 -4.779 -1.030 -7.090 753 1HB TYR 99 HB2 TYR 99 -2.323 -0.201 -6.527 754 2HB TYR 99 HB1 TYR 99 -3.137 1.324 -6.184 755 HD1 TYR 99 HD1 TYR 99 -1.682 -0.257 -4.083 756 HD2 TYR 99 HD2 TYR 99 -5.768 -0.409 -5.399 757 HE1 TYR 99 HE1 TYR 99 -2.365 -1.126 -1.855 758 HE2 TYR 99 HE2 TYR 99 -6.452 -1.276 -3.178 759 HH TYR 99 HH TYR 99 -5.592 -1.229 -0.844 760 H HIS 100 HN HIS 100 -4.980 1.697 -5.561 761 HA HIS 100 HA HIS 100 -7.307 2.664 -7.153 762 1HB HIS 100 HB2 HIS 100 -7.601 4.030 -4.937 763 2HB HIS 100 HB1 HIS 100 -7.933 2.305 -4.919 764 HD2 HIS 100 HD2 HIS 100 -4.962 4.711 -3.820 765 HE1 HIS 100 HE1 HIS 100 -4.573 1.034 -1.768 766 HE2 HIS 100 HE2 HIS 100 -3.613 3.338 -2.091 767 H SER 101 HN SER 101 -7.576 5.198 -6.802 768 HA SER 101 HA SER 101 -5.402 6.458 -8.232 769 1HB SER 101 HB2 SER 101 -8.117 6.955 -7.369 770 2HB SER 101 HB1 SER 101 -7.126 8.387 -7.105 771 HG SER 101 HG SER 101 -7.906 8.412 -9.206 772 H ALA 102 HN ALA 102 -5.968 5.873 -4.885 773 HA ALA 102 HA ALA 102 -4.488 8.206 -3.894 774 1HB ALA 102 HB1 ALA 102 -6.132 6.032 -2.913 775 2HB ALA 102 HB2 ALA 102 -5.751 7.565 -2.132 776 3HB ALA 102 HB3 ALA 102 -4.672 6.184 -1.936 777 H GLU 103 HN GLU 103 -3.713 5.045 -5.062 778 HA GLU 103 HA GLU 103 -1.359 4.465 -3.580 779 1HB GLU 103 HB2 GLU 103 -1.047 2.816 -5.249 780 2HB GLU 103 HB1 GLU 103 -2.791 3.075 -5.241 781 1HG GLU 103 HG2 GLU 103 -2.472 4.737 -7.116 782 2HG GLU 103 HG1 GLU 103 -0.781 4.238 -7.189 783 H LEU 104 HN LEU 104 0.729 5.218 -3.758 784 HA LEU 104 HA LEU 104 1.241 7.421 -5.695 785 1HB LEU 104 HB2 LEU 104 2.103 6.591 -3.010 786 2HB LEU 104 HB1 LEU 104 3.431 7.151 -4.027 787 HG LEU 104 HG LEU 104 1.984 9.170 -4.593 788 1HD1 LEU 104 HD11 LEU 104 0.297 7.793 -2.535 789 2HD1 LEU 104 HD12 LEU 104 -0.198 8.648 -3.997 790 3HD1 LEU 104 HD13 LEU 104 0.318 9.555 -2.575 791 1HD2 LEU 104 HD21 LEU 104 2.580 10.344 -2.544 792 2HD2 LEU 104 HD22 LEU 104 3.861 9.195 -2.926 793 3HD2 LEU 104 HD23 LEU 104 2.691 8.821 -1.660 794 H HIS 105 HN HIS 105 3.271 7.356 -6.948 795 HA HIS 105 HA HIS 105 4.073 4.549 -7.623 796 1HB HIS 105 HB2 HIS 105 4.211 7.168 -9.154 797 2HB HIS 105 HB1 HIS 105 4.726 5.607 -9.790 798 HD1 HIS 105 HD1 HIS 105 2.404 7.184 -11.126 799 HD2 HIS 105 HD2 HIS 105 1.855 4.219 -8.243 800 HE1 HIS 105 HE1 HIS 105 0.043 6.321 -11.428 801 H LEU 106 HN LEU 106 6.370 4.117 -7.964 802 HA LEU 106 HA LEU 106 8.228 6.229 -6.976 803 1HB LEU 106 HB2 LEU 106 7.626 4.890 -5.056 804 2HB LEU 106 HB1 LEU 106 7.946 3.401 -5.947 805 HG LEU 106 HG LEU 106 10.324 4.119 -6.213 806 1HD1 LEU 106 HD11 LEU 106 10.790 6.298 -5.870 807 2HD1 LEU 106 HD12 LEU 106 10.557 6.015 -4.146 808 3HD1 LEU 106 HD13 LEU 106 9.208 6.573 -5.136 809 1HD2 LEU 106 HD21 LEU 106 10.929 3.796 -3.798 810 2HD2 LEU 106 HD22 LEU 106 9.754 2.620 -4.387 811 3HD2 LEU 106 HD23 LEU 106 9.221 3.977 -3.401 812 H GLY 107 HN GLY 107 10.331 6.081 -7.821 813 1HA GLY 107 HA2 GLY 107 10.614 4.520 -10.267 814 2HA GLY 107 HA1 GLY 107 11.832 5.596 -9.577 815 H ILE 108 HN ILE 108 11.789 2.625 -10.525 816 HA ILE 108 HA ILE 108 12.272 0.872 -8.365 817 HB ILE 108 HB ILE 108 13.475 1.110 -11.147 818 1HG1 ILE 108 HG12 ILE 108 11.050 -0.406 -10.125 819 2HG1 ILE 108 HG11 ILE 108 10.996 1.065 -11.095 820 1HG2 ILE 108 HG21 ILE 108 13.409 -1.507 -10.714 821 2HG2 ILE 108 HG22 ILE 108 13.571 -0.982 -9.037 822 3HG2 ILE 108 HG23 ILE 108 14.790 -0.522 -10.227 823 1HD1 ILE 108 HD11 ILE 108 12.718 -0.676 -12.478 824 2HD1 ILE 108 HD12 ILE 108 11.077 -0.224 -12.936 825 3HD1 ILE 108 HD13 ILE 108 11.350 -1.671 -11.966 826 H HIS 109 HN HIS 109 14.535 2.952 -10.190 827 HA HIS 109 HA HIS 109 16.752 2.310 -8.359 828 1HB HIS 109 HB2 HIS 109 18.039 3.596 -9.925 829 2HB HIS 109 HB1 HIS 109 16.860 2.715 -10.892 830 HD1 HIS 109 HD1 HIS 109 14.667 4.117 -11.606 831 HD2 HIS 109 HD2 HIS 109 17.873 6.366 -10.171 832 HE1 HIS 109 HE1 HIS 109 14.217 6.515 -12.275 833 H GLN 110 HN GLN 110 14.062 4.105 -8.008 834 HA GLN 110 HA GLN 110 15.403 6.399 -6.646 835 1HB GLN 110 HB2 GLN 110 12.648 5.902 -7.817 836 2HB GLN 110 HB1 GLN 110 13.001 7.317 -6.823 837 1HG GLN 110 HG2 GLN 110 14.873 7.894 -8.376 838 2HG GLN 110 HG1 GLN 110 14.410 6.533 -9.395 839 1HE2 GLN 110 HE21 GLN 110 11.670 8.048 -7.951 840 2HE2 GLN 110 HE22 GLN 110 11.211 8.987 -9.288 841 H LEU 111 HN LEU 111 15.212 3.670 -5.558 842 HA LEU 111 HA LEU 111 13.093 3.443 -3.629 843 1HB LEU 111 HB2 LEU 111 15.733 2.202 -4.247 844 2HB LEU 111 HB1 LEU 111 15.078 1.915 -2.637 845 HG LEU 111 HG LEU 111 14.469 0.341 -4.725 846 1HD1 LEU 111 HD11 LEU 111 12.868 -0.552 -3.341 847 2HD1 LEU 111 HD12 LEU 111 12.188 1.023 -2.927 848 3HD1 LEU 111 HD13 LEU 111 13.699 0.490 -2.188 849 1HD2 LEU 111 HD21 LEU 111 12.045 2.122 -4.692 850 2HD2 LEU 111 HD22 LEU 111 12.545 0.945 -5.906 851 3HD2 LEU 111 HD23 LEU 111 13.375 2.494 -5.791 852 H GLU 112 HN GLU 112 13.626 5.925 -3.217 853 HA GLU 112 HA GLU 112 14.897 6.032 -0.533 854 1HB GLU 112 HB2 GLU 112 15.512 8.003 -2.759 855 2HB GLU 112 HB1 GLU 112 16.282 7.909 -1.176 856 1HG GLU 112 HG2 GLU 112 17.212 5.709 -1.728 857 2HG GLU 112 HG1 GLU 112 16.405 5.747 -3.296 858 H GLN 113 HN GLN 113 12.393 6.826 -2.644 859 HA GLN 113 HA GLN 113 11.559 9.283 -1.201 860 1HB GLN 113 HB2 GLN 113 10.860 7.839 -3.750 861 2HB GLN 113 HB1 GLN 113 9.793 9.093 -3.108 862 1HG GLN 113 HG2 GLN 113 11.227 10.752 -3.667 863 2HG GLN 113 HG1 GLN 113 12.618 9.856 -3.062 864 1HE2 GLN 113 HE21 GLN 113 14.035 9.118 -4.619 865 2HE2 GLN 113 HE22 GLN 113 13.670 8.932 -6.266 866 H LEU 114 HN LEU 114 11.077 5.907 -1.091 867 HA LEU 114 HA LEU 114 8.376 5.489 -0.581 868 1HB LEU 114 HB2 LEU 114 10.887 4.447 0.733 869 2HB LEU 114 HB1 LEU 114 9.294 3.817 1.153 870 HG LEU 114 HG LEU 114 9.252 3.835 -1.612 871 1HD1 LEU 114 HD11 LEU 114 11.999 3.085 -0.594 872 2HD1 LEU 114 HD12 LEU 114 11.599 4.270 -1.837 873 3HD1 LEU 114 HD13 LEU 114 11.375 2.551 -2.156 874 1HD2 LEU 114 HD21 LEU 114 8.323 1.988 -0.512 875 2HD2 LEU 114 HD22 LEU 114 9.761 1.732 0.476 876 3HD2 LEU 114 HD23 LEU 114 9.774 1.295 -1.233 877 HA PRO 115 HA PRO 115 8.977 6.968 3.971 878 1HB PRO 115 HB2 PRO 115 10.946 8.834 4.381 879 2HB PRO 115 HB1 PRO 115 11.198 7.092 4.608 880 1HG PRO 115 HG2 PRO 115 11.872 8.792 2.241 881 2HG PRO 115 HG1 PRO 115 12.851 7.556 3.053 882 1HD PRO 115 HD2 PRO 115 11.563 7.008 0.790 883 2HD PRO 115 HD1 PRO 115 11.673 5.799 2.085 884 H TYR 116 HN TYR 116 10.212 9.523 1.766 885 HA TYR 116 HA TYR 116 8.373 11.528 2.678 886 1HB TYR 116 HB2 TYR 116 9.847 12.658 1.386 887 2HB TYR 116 HB1 TYR 116 10.484 11.142 0.768 888 HD1 TYR 116 HD1 TYR 116 7.941 13.793 0.219 889 HD2 TYR 116 HD2 TYR 116 9.927 10.354 -1.415 890 HE1 TYR 116 HE1 TYR 116 7.016 14.317 -2.024 891 HE2 TYR 116 HE2 TYR 116 8.999 10.871 -3.655 892 HH TYR 116 HH TYR 116 7.411 13.885 -4.321 893 H GLN 117 HN GLN 117 8.261 9.079 0.148 894 HA GLN 117 HA GLN 117 5.746 9.786 -1.042 895 1HB GLN 117 HB2 GLN 117 7.380 7.254 -0.749 896 2HB GLN 117 HB1 GLN 117 5.877 7.287 -1.670 897 1HG GLN 117 HG2 GLN 117 7.824 9.438 -2.287 898 2HG GLN 117 HG1 GLN 117 8.292 7.808 -2.772 899 1HE2 GLN 117 HE21 GLN 117 6.986 10.404 -4.153 900 2HE2 GLN 117 HE22 GLN 117 5.835 9.692 -5.178 901 H VAL 118 HN VAL 118 6.653 7.619 1.628 902 HA VAL 118 HA VAL 118 4.090 6.516 2.136 903 HB VAL 118 HB VAL 118 6.608 7.031 3.700 904 1HG1 VAL 118 HG11 VAL 118 5.562 5.709 5.585 905 2HG1 VAL 118 HG12 VAL 118 3.998 5.969 4.810 906 3HG1 VAL 118 HG13 VAL 118 4.932 7.345 5.401 907 1HG2 VAL 118 HG21 VAL 118 6.787 4.639 3.656 908 2HG2 VAL 118 HG22 VAL 118 6.280 5.115 2.035 909 3HG2 VAL 118 HG23 VAL 118 5.101 4.459 3.166 910 H ASP 119 HN ASP 119 5.658 9.426 3.538 911 HA ASP 119 HA ASP 119 3.415 10.216 5.150 912 1HB ASP 119 HB2 ASP 119 5.759 11.643 3.869 913 2HB ASP 119 HB1 ASP 119 4.626 12.476 4.931 914 H ALA 120 HN ALA 120 4.429 11.086 1.840 915 HA ALA 120 HA ALA 120 2.243 12.897 1.334 916 1HB ALA 120 HB1 ALA 120 4.391 11.479 -0.184 917 2HB ALA 120 HB2 ALA 120 4.031 13.203 -0.098 918 3HB ALA 120 HB3 ALA 120 3.049 12.149 -1.114 919 H ALA 121 HN ALA 121 2.767 9.429 0.704 920 HA ALA 121 HA ALA 121 0.408 8.937 -0.822 921 1HB ALA 121 HB1 ALA 121 2.088 7.282 1.089 922 2HB ALA 121 HB2 ALA 121 2.187 7.316 -0.672 923 3HB ALA 121 HB3 ALA 121 0.789 6.588 0.119 924 H LEU 122 HN LEU 122 0.995 9.078 2.676 925 HA LEU 122 HA LEU 122 -1.526 8.104 3.579 926 1HB LEU 122 HB2 LEU 122 0.481 10.100 4.665 927 2HB LEU 122 HB1 LEU 122 -0.888 9.513 5.608 928 HG LEU 122 HG LEU 122 0.945 7.536 4.281 929 1HD1 LEU 122 HD11 LEU 122 2.669 7.886 5.713 930 2HD1 LEU 122 HD12 LEU 122 1.583 8.141 7.080 931 3HD1 LEU 122 HD13 LEU 122 1.950 9.474 5.986 932 1HD2 LEU 122 HD21 LEU 122 -0.795 7.594 6.762 933 2HD2 LEU 122 HD22 LEU 122 0.296 6.262 6.375 934 3HD2 LEU 122 HD23 LEU 122 -1.050 6.643 5.301 935 H ALA 123 HN ALA 123 -0.445 11.502 3.099 936 HA ALA 123 HA ALA 123 -2.980 12.710 3.618 937 1HB ALA 123 HB1 ALA 123 -0.842 13.648 1.679 938 2HB ALA 123 HB2 ALA 123 -0.680 13.776 3.432 939 3HB ALA 123 HB3 ALA 123 -1.964 14.650 2.596 940 H GLU 124 HN GLU 124 -1.540 11.492 0.599 941 HA GLU 124 HA GLU 124 -3.593 12.378 -1.180 942 1HB GLU 124 HB2 GLU 124 -1.357 11.607 -1.850 943 2HB GLU 124 HB1 GLU 124 -1.728 9.983 -1.266 944 1HG GLU 124 HG2 GLU 124 -2.022 10.119 -3.709 945 2HG GLU 124 HG1 GLU 124 -3.568 9.815 -2.913 946 H PHE 125 HN PHE 125 -3.280 9.449 0.812 947 HA PHE 125 HA PHE 125 -5.544 8.084 -0.357 948 1HB PHE 125 HB2 PHE 125 -3.640 7.045 0.893 949 2HB PHE 125 HB1 PHE 125 -4.280 7.756 2.379 950 HD1 PHE 125 HD1 PHE 125 -6.453 7.051 3.281 951 HD2 PHE 125 HD2 PHE 125 -4.758 5.210 -0.207 952 HE1 PHE 125 HE1 PHE 125 -8.085 5.195 3.469 953 HE2 PHE 125 HE2 PHE 125 -6.387 3.349 -0.019 954 HZ PHE 125 HZ PHE 125 -8.058 3.350 1.813 955 H LEU 126 HN LEU 126 -5.176 10.286 2.397 956 HA LEU 126 HA LEU 126 -7.821 9.831 3.476 957 1HB LEU 126 HB2 LEU 126 -5.843 12.117 3.729 958 2HB LEU 126 HB1 LEU 126 -7.224 11.846 4.794 959 HG LEU 126 HG LEU 126 -5.015 9.828 4.328 960 1HD1 LEU 126 HD11 LEU 126 -4.845 10.601 6.953 961 2HD1 LEU 126 HD12 LEU 126 -5.244 12.127 6.160 962 3HD1 LEU 126 HD13 LEU 126 -3.815 11.219 5.666 963 1HD2 LEU 126 HD21 LEU 126 -7.124 8.807 4.969 964 2HD2 LEU 126 HD22 LEU 126 -7.335 9.973 6.275 965 3HD2 LEU 126 HD23 LEU 126 -6.039 8.778 6.360 966 H ARG 127 HN ARG 127 -6.465 12.258 1.246 967 HA ARG 127 HA ARG 127 -8.769 13.939 1.089 968 1HB ARG 127 HB2 ARG 127 -6.631 13.277 -0.958 969 2HB ARG 127 HB1 ARG 127 -7.691 14.688 -1.015 970 1HG ARG 127 HG2 ARG 127 -6.565 14.625 1.589 971 2HG ARG 127 HG1 ARG 127 -5.242 14.343 0.458 972 1HD ARG 127 HD2 ARG 127 -7.164 16.694 0.482 973 2HD ARG 127 HD1 ARG 127 -5.399 16.729 0.674 974 HE ARG 127 HE ARG 127 -5.743 15.449 -1.746 975 1HH1 ARG 127 HH11 ARG 127 -6.813 18.421 -0.349 976 2HH1 ARG 127 HH12 ARG 127 -6.951 19.232 -1.873 977 1HH2 ARG 127 HH21 ARG 127 -5.925 16.498 -3.734 978 2HH2 ARG 127 HH22 ARG 127 -6.452 18.147 -3.783 979 H LEU 128 HN LEU 128 -7.881 10.999 -0.730 980 HA LEU 128 HA LEU 128 -10.428 11.176 -2.244 981 1HB LEU 128 HB2 LEU 128 -7.823 9.783 -2.490 982 2HB LEU 128 HB1 LEU 128 -9.235 8.943 -3.141 983 HG LEU 128 HG LEU 128 -9.840 11.184 -4.243 984 1HD1 LEU 128 HD11 LEU 128 -8.437 12.710 -3.124 985 2HD1 LEU 128 HD12 LEU 128 -7.684 12.524 -4.708 986 3HD1 LEU 128 HD13 LEU 128 -7.019 11.680 -3.310 987 1HD2 LEU 128 HD21 LEU 128 -7.846 10.781 -5.976 988 2HD2 LEU 128 HD22 LEU 128 -9.174 9.632 -5.816 989 3HD2 LEU 128 HD23 LEU 128 -7.637 9.317 -5.012 990 H ALA 129 HN ALA 129 -9.205 9.806 0.599 991 HA ALA 129 HA ALA 129 -10.431 7.273 0.714 992 1HB ALA 129 HB1 ALA 129 -9.300 7.506 2.648 993 2HB ALA 129 HB2 ALA 129 -10.672 8.438 3.245 994 3HB ALA 129 HB3 ALA 129 -9.306 9.262 2.493 995 HA PRO 130 HA PRO 130 -11.598 5.941 0.946 996 1HB PRO 130 HB2 PRO 130 -13.697 4.687 -0.260 997 2HB PRO 130 HB1 PRO 130 -13.545 4.850 1.500 998 1HG PRO 130 HG2 PRO 130 -15.272 6.311 -0.382 999 2HG PRO 130 HG1 PRO 130 -15.541 5.913 1.316 1000 1HD PRO 130 HD2 PRO 130 -14.762 8.391 0.286 1001 2HD PRO 130 HD1 PRO 130 -14.690 7.894 1.990 1002 H VAL 131 HN VAL 131 -10.134 6.172 -0.746 1003 HA VAL 131 HA VAL 131 -10.584 7.464 -3.225 1004 HB VAL 131 HB VAL 131 -8.529 6.256 -3.903 1005 1HG1 VAL 131 HG11 VAL 131 -7.549 7.839 -2.642 1006 2HG1 VAL 131 HG12 VAL 131 -7.522 6.685 -1.310 1007 3HG1 VAL 131 HG13 VAL 131 -8.872 7.802 -1.479 1008 1HG2 VAL 131 HG21 VAL 131 -8.753 4.059 -3.166 1009 2HG2 VAL 131 HG22 VAL 131 -9.338 4.544 -1.574 1010 3HG2 VAL 131 HG23 VAL 131 -7.626 4.705 -1.971 1011 H GLU 132 HN GLU 132 -10.855 6.498 -5.380 1012 HA GLU 132 HA GLU 132 -12.868 4.375 -5.401 1013 1HB GLU 132 HB2 GLU 132 -11.403 5.981 -7.515 1014 2HB GLU 132 HB1 GLU 132 -12.685 4.829 -7.892 1015 1HG GLU 132 HG2 GLU 132 -14.217 6.087 -6.389 1016 2HG GLU 132 HG1 GLU 132 -12.937 7.267 -6.108 1017 H THR 133 HN THR 133 -12.292 2.237 -5.339 1018 HA THR 133 HA THR 133 -9.605 1.444 -6.381 1019 HB THR 133 HB THR 133 -10.528 -0.717 -5.051 1020 HG1 THR 133 HG1 THR 133 -12.520 0.476 -4.673 1021 1HG2 THR 133 HG21 THR 133 -8.469 0.608 -4.583 1022 2HG2 THR 133 HG22 THR 133 -9.295 0.088 -3.116 1023 3HG2 THR 133 HG23 THR 133 -9.448 1.756 -3.671 1024 H MET 134 HN MET 134 -9.840 0.902 -8.543 1025 HA MET 134 HA MET 134 -12.298 -0.293 -9.583 1026 1HB MET 134 HB2 MET 134 -9.540 0.124 -10.785 1027 2HB MET 134 HB1 MET 134 -11.011 -0.236 -11.691 1028 1HG MET 134 HG2 MET 134 -12.033 1.845 -10.720 1029 2HG MET 134 HG1 MET 134 -10.460 2.230 -10.023 1030 1HE MET 134 HE1 MET 134 -9.951 4.078 -10.726 1031 2HE MET 134 HE2 MET 134 -10.999 4.742 -11.980 1032 3HE MET 134 HE3 MET 134 -9.277 4.537 -12.297 1033 H ALA 135 HN ALA 135 -9.708 -1.526 -7.847 1034 HA ALA 135 HA ALA 135 -8.817 -3.705 -7.586 1035 1HB ALA 135 HB1 ALA 135 -11.497 -3.619 -7.249 1036 2HB ALA 135 HB2 ALA 135 -10.568 -5.106 -7.061 1037 3HB ALA 135 HB3 ALA 135 -11.415 -4.779 -8.573 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -0.079 7.890 20.563 2 2H MET 1 HT2 MET 1 -1.373 8.678 21.334 3 3H MET 1 HT3 MET 1 -0.851 9.196 19.801 4 HA MET 1 HA MET 1 -2.288 6.685 20.474 5 1HB MET 1 HB2 MET 1 -3.584 8.750 20.199 6 2HB MET 1 HB1 MET 1 -2.758 9.090 18.677 7 1HG MET 1 HG2 MET 1 -3.665 6.927 17.778 8 2HG MET 1 HG1 MET 1 -4.602 6.750 19.261 9 1HE MET 1 HE1 MET 1 -3.699 10.060 17.289 10 2HE MET 1 HE2 MET 1 -5.014 10.079 16.116 11 3HE MET 1 HE3 MET 1 -3.858 8.748 16.113 12 H LEU 2 HN LEU 2 -0.287 8.419 18.138 13 HA LEU 2 HA LEU 2 -0.291 6.063 16.307 14 1HB LEU 2 HB2 LEU 2 -0.710 8.645 15.802 15 2HB LEU 2 HB1 LEU 2 1.052 8.685 15.765 16 HG LEU 2 HG LEU 2 -0.575 6.687 14.179 17 1HD1 LEU 2 HD11 LEU 2 -1.242 8.527 13.004 18 2HD1 LEU 2 HD12 LEU 2 0.387 8.449 12.333 19 3HD1 LEU 2 HD13 LEU 2 0.035 9.542 13.673 20 1HD2 LEU 2 HD21 LEU 2 2.308 7.553 14.322 21 2HD2 LEU 2 HD22 LEU 2 1.669 6.869 12.828 22 3HD2 LEU 2 HD23 LEU 2 1.643 5.921 14.315 23 H SER 3 HN SER 3 1.142 4.920 17.985 24 HA SER 3 HA SER 3 3.724 5.861 18.731 25 1HB SER 3 HB2 SER 3 2.099 3.578 19.022 26 2HB SER 3 HB1 SER 3 3.604 2.995 18.314 27 HG SER 3 HG SER 3 3.420 3.263 20.726 28 H GLN 4 HN GLN 4 2.724 3.857 15.958 29 HA GLN 4 HA GLN 4 5.095 4.787 14.450 30 1HB GLN 4 HB2 GLN 4 4.543 1.892 15.170 31 2HB GLN 4 HB1 GLN 4 5.796 2.426 14.050 32 1HG GLN 4 HG2 GLN 4 6.749 3.835 15.911 33 2HG GLN 4 HG1 GLN 4 5.593 3.076 17.002 34 1HE2 GLN 4 HE21 GLN 4 8.740 2.887 16.367 35 2HE2 GLN 4 HE22 GLN 4 9.010 1.218 16.513 36 H ILE 5 HN ILE 5 4.980 3.931 12.142 37 HA ILE 5 HA ILE 5 2.139 3.899 11.242 38 HB ILE 5 HB ILE 5 4.829 4.388 9.930 39 1HG1 ILE 5 HG12 ILE 5 2.467 6.236 10.353 40 2HG1 ILE 5 HG11 ILE 5 3.826 6.121 11.470 41 1HG2 ILE 5 HG21 ILE 5 3.886 4.358 7.869 42 2HG2 ILE 5 HG22 ILE 5 2.385 5.086 8.438 43 3HG2 ILE 5 HG23 ILE 5 2.656 3.357 8.627 44 1HD1 ILE 5 HD11 ILE 5 5.379 6.772 9.692 45 2HD1 ILE 5 HD12 ILE 5 4.112 7.987 9.857 46 3HD1 ILE 5 HD13 ILE 5 4.052 6.829 8.529 47 H ALA 6 HN ALA 6 1.242 2.041 10.301 48 HA ALA 6 HA ALA 6 2.937 -0.378 10.206 49 1HB ALA 6 HB1 ALA 6 0.031 0.326 10.145 50 2HB ALA 6 HB2 ALA 6 0.886 -0.745 11.252 51 3HB ALA 6 HB3 ALA 6 0.539 -1.272 9.605 52 H ILE 7 HN ILE 7 3.993 -0.754 8.323 53 HA ILE 7 HA ILE 7 2.566 -0.086 5.779 54 HB ILE 7 HB ILE 7 5.521 0.020 6.458 55 1HG1 ILE 7 HG12 ILE 7 3.503 2.232 5.952 56 2HG1 ILE 7 HG11 ILE 7 4.205 1.816 7.516 57 1HG2 ILE 7 HG21 ILE 7 4.042 0.876 3.953 58 2HG2 ILE 7 HG22 ILE 7 5.065 -0.553 4.089 59 3HG2 ILE 7 HG23 ILE 7 5.772 1.055 4.243 60 1HD1 ILE 7 HD11 ILE 7 5.292 3.750 6.133 61 2HD1 ILE 7 HD12 ILE 7 5.998 2.443 5.183 62 3HD1 ILE 7 HD13 ILE 7 6.344 2.565 6.907 63 H CYS 8 HN CYS 8 2.031 -2.010 4.764 64 HA CYS 8 HA CYS 8 3.809 -4.373 5.216 65 1HB CYS 8 HB2 CYS 8 1.348 -4.465 5.732 66 2HB CYS 8 HB1 CYS 8 1.022 -4.192 4.020 67 HG CYS 8 HG CYS 8 2.791 -6.489 3.967 68 H ILE 9 HN ILE 9 5.303 -4.642 3.612 69 HA ILE 9 HA ILE 9 4.674 -3.605 0.884 70 HB ILE 9 HB ILE 9 6.711 -2.794 1.884 71 1HG1 ILE 9 HG12 ILE 9 7.445 -5.045 -0.011 72 2HG1 ILE 9 HG11 ILE 9 6.818 -3.489 -0.537 73 1HG2 ILE 9 HG21 ILE 9 7.679 -4.064 3.475 74 2HG2 ILE 9 HG22 ILE 9 8.326 -5.078 2.183 75 3HG2 ILE 9 HG23 ILE 9 6.788 -5.490 2.940 76 1HD1 ILE 9 HD11 ILE 9 8.794 -2.431 -0.172 77 2HD1 ILE 9 HD12 ILE 9 9.477 -4.058 -0.214 78 3HD1 ILE 9 HD13 ILE 9 9.086 -3.305 1.333 79 H TRP 10 HN TRP 10 4.884 -4.901 -0.943 80 HA TRP 10 HA TRP 10 5.166 -7.839 -0.406 81 1HB TRP 10 HB2 TRP 10 2.921 -7.329 -1.148 82 2HB TRP 10 HB1 TRP 10 3.534 -6.303 -2.450 83 HD1 TRP 10 HD1 TRP 10 5.513 -9.409 -1.871 84 HE1 TRP 10 HE1 TRP 10 5.091 -11.102 -3.763 85 HE3 TRP 10 HE3 TRP 10 1.522 -7.189 -4.147 86 HZ2 TRP 10 HZ2 TRP 10 3.286 -11.468 -5.948 87 HZ3 TRP 10 HZ3 TRP 10 0.468 -8.232 -6.127 88 HH2 TRP 10 HH2 TRP 10 1.349 -10.370 -7.037 89 H VAL 11 HN VAL 11 7.211 -8.332 -1.012 90 HA VAL 11 HA VAL 11 8.079 -7.687 -3.762 91 HB VAL 11 HB VAL 11 8.732 -5.720 -2.547 92 1HG1 VAL 11 HG11 VAL 11 9.839 -7.618 -0.473 93 2HG1 VAL 11 HG12 VAL 11 8.394 -6.623 -0.301 94 3HG1 VAL 11 HG13 VAL 11 9.983 -5.861 -0.425 95 1HG2 VAL 11 HG21 VAL 11 10.497 -6.581 -4.000 96 2HG2 VAL 11 HG22 VAL 11 11.068 -7.646 -2.718 97 3HG2 VAL 11 HG23 VAL 11 11.224 -5.899 -2.545 98 H GLU 12 HN GLU 12 9.114 -9.483 -4.513 99 HA GLU 12 HA GLU 12 9.737 -11.692 -2.674 100 1HB GLU 12 HB2 GLU 12 9.730 -11.264 -5.665 101 2HB GLU 12 HB1 GLU 12 10.243 -12.786 -4.930 102 1HG GLU 12 HG2 GLU 12 8.063 -12.948 -3.768 103 2HG GLU 12 HG1 GLU 12 7.553 -11.446 -4.544 104 H SER 13 HN SER 13 11.463 -9.050 -3.843 105 HA SER 13 HA SER 13 14.038 -10.563 -3.741 106 1HB SER 13 HB2 SER 13 13.270 -9.159 -5.763 107 2HB SER 13 HB1 SER 13 13.580 -7.755 -4.746 108 HG SER 13 HG SER 13 15.342 -8.755 -6.166 109 H THR 14 HN THR 14 14.934 -10.446 -1.757 110 HA THR 14 HA THR 14 14.249 -8.729 0.354 111 HB THR 14 HB THR 14 17.084 -9.567 0.085 112 HG1 THR 14 HG1 THR 14 15.589 -11.736 0.551 113 1HG2 THR 14 HG21 THR 14 14.857 -10.017 2.089 114 2HG2 THR 14 HG22 THR 14 16.208 -8.890 2.237 115 3HG2 THR 14 HG23 THR 14 16.500 -10.629 2.280 116 H ALA 15 HN ALA 15 16.732 -8.278 -2.183 117 HA ALA 15 HA ALA 15 17.903 -5.911 -1.107 118 1HB ALA 15 HB1 ALA 15 19.063 -6.850 -2.895 119 2HB ALA 15 HB2 ALA 15 18.215 -5.551 -3.733 120 3HB ALA 15 HB3 ALA 15 17.590 -7.199 -3.799 121 H ILE 16 HN ILE 16 15.175 -6.349 -3.372 122 HA ILE 16 HA ILE 16 14.521 -3.555 -3.615 123 HB ILE 16 HB ILE 16 13.031 -6.182 -3.920 124 1HG1 ILE 16 HG12 ILE 16 13.755 -4.200 -6.082 125 2HG1 ILE 16 HG11 ILE 16 14.949 -5.353 -5.483 126 1HG2 ILE 16 HG21 ILE 16 11.144 -5.036 -4.812 127 2HG2 ILE 16 HG22 ILE 16 12.007 -3.498 -4.867 128 3HG2 ILE 16 HG23 ILE 16 11.534 -4.189 -3.314 129 1HD1 ILE 16 HD11 ILE 16 13.966 -7.090 -6.557 130 2HD1 ILE 16 HD12 ILE 16 13.107 -5.861 -7.484 131 3HD1 ILE 16 HD13 ILE 16 12.346 -6.587 -6.066 132 H LEU 17 HN LEU 17 13.381 -6.180 -1.524 133 HA LEU 17 HA LEU 17 11.488 -4.694 0.009 134 1HB LEU 17 HB2 LEU 17 11.484 -7.068 0.102 135 2HB LEU 17 HB1 LEU 17 13.211 -7.143 0.416 136 HG LEU 17 HG LEU 17 11.599 -7.590 2.387 137 1HD1 LEU 17 HD11 LEU 17 14.160 -6.768 2.256 138 2HD1 LEU 17 HD12 LEU 17 13.326 -7.054 3.781 139 3HD1 LEU 17 HD13 LEU 17 13.469 -5.414 3.151 140 1HD2 LEU 17 HD21 LEU 17 10.037 -5.830 2.331 141 2HD2 LEU 17 HD22 LEU 17 11.259 -4.611 1.987 142 3HD2 LEU 17 HD23 LEU 17 11.148 -5.319 3.595 143 H GLN 18 HN GLN 18 14.906 -5.541 0.769 144 HA GLN 18 HA GLN 18 15.118 -4.049 3.160 145 1HB GLN 18 HB2 GLN 18 17.082 -4.765 0.969 146 2HB GLN 18 HB1 GLN 18 17.584 -4.012 2.480 147 1HG GLN 18 HG2 GLN 18 16.582 -5.891 3.746 148 2HG GLN 18 HG1 GLN 18 16.108 -6.651 2.224 149 1HE2 GLN 18 HE21 GLN 18 18.230 -7.366 4.428 150 2HE2 GLN 18 HE22 GLN 18 19.626 -7.696 3.520 151 H ASP 19 HN ASP 19 15.544 -3.020 -0.230 152 HA ASP 19 HA ASP 19 16.501 -0.379 0.274 153 1HB ASP 19 HB2 ASP 19 14.817 -1.617 -1.928 154 2HB ASP 19 HB1 ASP 19 15.553 -0.018 -2.041 155 H CYS 20 HN CYS 20 13.153 -1.611 -0.122 156 HA CYS 20 HA CYS 20 11.817 0.904 0.181 157 1HB CYS 20 HB2 CYS 20 10.926 -1.881 1.008 158 2HB CYS 20 HB1 CYS 20 9.874 -0.528 0.586 159 HG CYS 20 HG CYS 20 11.730 -1.972 -1.482 160 H GLN 21 HN GLN 21 12.803 -1.591 2.522 161 HA GLN 21 HA GLN 21 11.713 -0.356 4.869 162 1HB GLN 21 HB2 GLN 21 14.129 -2.145 4.453 163 2HB GLN 21 HB1 GLN 21 13.318 -1.882 5.997 164 1HG GLN 21 HG2 GLN 21 11.195 -2.702 4.900 165 2HG GLN 21 HG1 GLN 21 12.175 -3.185 3.523 166 1HE2 GLN 21 HE21 GLN 21 10.715 -4.627 5.961 167 2HE2 GLN 21 HE22 GLN 21 11.858 -5.798 6.405 168 H ARG 22 HN ARG 22 14.907 -0.219 3.330 169 HA ARG 22 HA ARG 22 16.332 1.384 5.121 170 1HB ARG 22 HB2 ARG 22 16.222 0.876 2.197 171 2HB ARG 22 HB1 ARG 22 17.117 2.313 2.693 172 1HG ARG 22 HG2 ARG 22 18.696 1.092 3.890 173 2HG ARG 22 HG1 ARG 22 17.589 -0.254 4.165 174 1HD ARG 22 HD2 ARG 22 18.035 -1.225 2.112 175 2HD ARG 22 HD1 ARG 22 18.375 0.334 1.331 176 HE ARG 22 HE ARG 22 20.290 -0.238 3.431 177 1HH1 ARG 22 HH11 ARG 22 19.364 -0.987 0.188 178 2HH1 ARG 22 HH12 ARG 22 20.983 -1.305 -0.337 179 1HH2 ARG 22 HH21 ARG 22 22.403 -0.647 2.758 180 2HH2 ARG 22 HH22 ARG 22 22.702 -1.115 1.118 181 H ALA 23 HN ALA 23 14.275 2.504 2.416 182 HA ALA 23 HA ALA 23 14.438 5.298 3.083 183 1HB ALA 23 HB1 ALA 23 12.785 5.491 1.366 184 2HB ALA 23 HB2 ALA 23 12.166 3.871 1.690 185 3HB ALA 23 HB3 ALA 23 13.735 4.072 0.919 186 H LEU 24 HN LEU 24 11.858 2.858 3.663 187 HA LEU 24 HA LEU 24 10.476 4.679 5.525 188 1HB LEU 24 HB2 LEU 24 10.023 1.775 4.754 189 2HB LEU 24 HB1 LEU 24 8.863 2.821 5.574 190 HG LEU 24 HG LEU 24 10.008 3.294 2.807 191 1HD1 LEU 24 HD11 LEU 24 7.998 1.551 3.557 192 2HD1 LEU 24 HD12 LEU 24 8.184 2.265 1.955 193 3HD1 LEU 24 HD13 LEU 24 7.109 3.016 3.137 194 1HD2 LEU 24 HD21 LEU 24 8.054 5.010 2.874 195 2HD2 LEU 24 HD22 LEU 24 9.561 5.426 3.692 196 3HD2 LEU 24 HD23 LEU 24 8.176 4.851 4.620 197 H SER 25 HN SER 25 12.877 4.443 6.613 198 HA SER 25 HA SER 25 12.825 2.185 8.566 199 1HB SER 25 HB2 SER 25 14.904 3.974 7.349 200 2HB SER 25 HB1 SER 25 15.226 3.265 8.928 201 HG SER 25 HG SER 25 15.192 2.117 6.460 202 H ALA 26 HN ALA 26 11.841 5.350 8.305 203 HA ALA 26 HA ALA 26 12.624 6.884 10.417 204 1HB ALA 26 HB1 ALA 26 9.685 6.303 10.143 205 2HB ALA 26 HB2 ALA 26 10.551 6.949 8.749 206 3HB ALA 26 HB3 ALA 26 10.504 7.861 10.257 207 H ASP 27 HN ASP 27 12.555 6.790 12.641 208 HA ASP 27 HA ASP 27 12.454 4.388 14.047 209 1HB ASP 27 HB2 ASP 27 13.270 6.672 14.765 210 2HB ASP 27 HB1 ASP 27 11.587 7.105 15.068 211 H ARG 28 HN ARG 28 9.752 6.213 12.794 212 HA ARG 28 HA ARG 28 7.879 4.692 14.553 213 1HB ARG 28 HB2 ARG 28 6.270 6.426 13.842 214 2HB ARG 28 HB1 ARG 28 7.727 7.142 14.533 215 1HG ARG 28 HG2 ARG 28 8.596 7.679 12.365 216 2HG ARG 28 HG1 ARG 28 7.361 6.711 11.558 217 1HD ARG 28 HD2 ARG 28 5.818 8.386 11.685 218 2HD ARG 28 HD1 ARG 28 6.271 8.793 13.350 219 HE ARG 28 HE ARG 28 7.437 9.951 10.923 220 1HH1 ARG 28 HH11 ARG 28 7.779 9.244 14.292 221 2HH1 ARG 28 HH12 ARG 28 9.008 10.436 14.544 222 1HH2 ARG 28 HH21 ARG 28 9.053 11.488 11.247 223 2HH2 ARG 28 HH22 ARG 28 9.729 11.697 12.828 224 H TYR 29 HN TYR 29 9.182 3.456 12.116 225 HA TYR 29 HA TYR 29 6.726 3.124 10.445 226 1HB TYR 29 HB2 TYR 29 9.652 3.162 9.940 227 2HB TYR 29 HB1 TYR 29 8.704 2.045 8.959 228 HD1 TYR 29 HD1 TYR 29 10.169 4.885 8.417 229 HD2 TYR 29 HD2 TYR 29 6.128 3.537 8.780 230 HE1 TYR 29 HE1 TYR 29 9.427 6.784 7.031 231 HE2 TYR 29 HE2 TYR 29 5.366 5.433 7.394 232 HH TYR 29 HH TYR 29 7.338 7.206 5.473 233 H GLN 30 HN GLN 30 5.720 1.192 10.521 234 HA GLN 30 HA GLN 30 7.181 -1.128 11.758 235 1HB GLN 30 HB2 GLN 30 5.138 -0.257 12.936 236 2HB GLN 30 HB1 GLN 30 4.202 -0.578 11.478 237 1HG GLN 30 HG2 GLN 30 4.706 -2.965 11.623 238 2HG GLN 30 HG1 GLN 30 5.753 -2.682 13.014 239 1HE2 GLN 30 HE21 GLN 30 4.141 -0.848 14.481 240 2HE2 GLN 30 HE22 GLN 30 2.727 -1.644 14.976 241 H LEU 31 HN LEU 31 8.145 -1.677 9.703 242 HA LEU 31 HA LEU 31 6.457 -2.087 7.357 243 1HB LEU 31 HB2 LEU 31 9.303 -2.968 7.886 244 2HB LEU 31 HB1 LEU 31 8.552 -2.642 6.325 245 HG LEU 31 HG LEU 31 9.249 -0.665 8.495 246 1HD1 LEU 31 HD11 LEU 31 10.255 0.404 6.323 247 2HD1 LEU 31 HD12 LEU 31 10.105 -1.226 5.673 248 3HD1 LEU 31 HD13 LEU 31 11.097 -0.935 7.101 249 1HD2 LEU 31 HD21 LEU 31 8.224 0.952 6.673 250 2HD2 LEU 31 HD22 LEU 31 7.164 0.174 7.849 251 3HD2 LEU 31 HD23 LEU 31 7.299 -0.479 6.217 252 H GLN 32 HN GLN 32 5.539 -3.942 6.710 253 HA GLN 32 HA GLN 32 6.254 -6.483 8.135 254 1HB GLN 32 HB2 GLN 32 3.974 -5.656 8.602 255 2HB GLN 32 HB1 GLN 32 3.648 -5.544 6.870 256 1HG GLN 32 HG2 GLN 32 2.719 -7.631 7.841 257 2HG GLN 32 HG1 GLN 32 3.964 -7.969 6.640 258 1HE2 GLN 32 HE21 GLN 32 4.906 -9.875 7.471 259 2HE2 GLN 32 HE22 GLN 32 5.579 -10.002 9.024 260 H VAL 33 HN VAL 33 7.286 -7.899 6.758 261 HA VAL 33 HA VAL 33 7.234 -7.325 3.844 262 HB VAL 33 HB VAL 33 8.872 -9.224 5.549 263 1HG1 VAL 33 HG11 VAL 33 8.742 -9.889 3.182 264 2HG1 VAL 33 HG12 VAL 33 10.358 -9.305 3.586 265 3HG1 VAL 33 HG13 VAL 33 9.240 -8.269 2.698 266 1HG2 VAL 33 HG21 VAL 33 10.607 -7.543 5.453 267 2HG2 VAL 33 HG22 VAL 33 9.141 -6.744 6.022 268 3HG2 VAL 33 HG23 VAL 33 9.661 -6.550 4.346 269 H CYS 34 HN CYS 34 6.280 -8.659 2.359 270 HA CYS 34 HA CYS 34 5.048 -11.219 3.349 271 1HB CYS 34 HB2 CYS 34 4.230 -9.332 1.117 272 2HB CYS 34 HB1 CYS 34 3.357 -10.785 1.596 273 HG CYS 34 HG CYS 34 3.090 -8.121 2.938 274 H GLU 35 HN GLU 35 5.947 -13.043 2.409 275 HA GLU 35 HA GLU 35 7.999 -12.944 0.424 276 1HB GLU 35 HB2 GLU 35 6.122 -15.181 1.262 277 2HB GLU 35 HB1 GLU 35 7.636 -15.399 0.389 278 1HG GLU 35 HG2 GLU 35 8.868 -14.381 2.265 279 2HG GLU 35 HG1 GLU 35 7.350 -14.166 3.138 280 H SER 36 HN SER 36 4.494 -12.991 0.108 281 HA SER 36 HA SER 36 4.861 -13.061 -2.866 282 1HB SER 36 HB2 SER 36 4.253 -15.276 -1.706 283 2HB SER 36 HB1 SER 36 2.678 -14.549 -1.404 284 HG SER 36 HG SER 36 3.776 -15.518 -3.721 285 H GLY 37 HN GLY 37 2.210 -12.865 -3.629 286 1HA GLY 37 HA2 GLY 37 1.471 -10.190 -2.535 287 2HA GLY 37 HA1 GLY 37 0.961 -10.823 -4.107 288 H GLU 38 HN GLU 38 0.490 -13.479 -2.891 289 HA GLU 38 HA GLU 38 -2.307 -13.164 -2.182 290 1HB GLU 38 HB2 GLU 38 -0.222 -15.313 -2.434 291 2HB GLU 38 HB1 GLU 38 -1.728 -15.702 -1.634 292 1HG GLU 38 HG2 GLU 38 -2.914 -14.739 -3.683 293 2HG GLU 38 HG1 GLU 38 -1.334 -14.752 -4.468 294 H MET 39 HN MET 39 0.718 -13.928 -0.528 295 HA MET 39 HA MET 39 -0.299 -14.397 2.090 296 1HB MET 39 HB2 MET 39 2.329 -13.266 1.070 297 2HB MET 39 HB1 MET 39 2.093 -13.931 2.684 298 1HG MET 39 HG2 MET 39 1.817 -15.411 0.052 299 2HG MET 39 HG1 MET 39 3.064 -15.655 1.277 300 1HE MET 39 HE1 MET 39 2.536 -15.826 3.606 301 2HE MET 39 HE2 MET 39 1.540 -17.143 4.218 302 3HE MET 39 HE3 MET 39 0.872 -15.518 4.119 303 H LEU 40 HN LEU 40 0.820 -11.455 0.454 304 HA LEU 40 HA LEU 40 0.666 -9.629 2.617 305 1HB LEU 40 HB2 LEU 40 1.673 -8.781 0.716 306 2HB LEU 40 HB1 LEU 40 0.567 -9.621 -0.365 307 HG LEU 40 HG LEU 40 -1.189 -8.001 0.086 308 1HD1 LEU 40 HD11 LEU 40 -0.241 -5.907 1.469 309 2HD1 LEU 40 HD12 LEU 40 0.693 -7.184 2.249 310 3HD1 LEU 40 HD13 LEU 40 -1.069 -7.248 2.257 311 1HD2 LEU 40 HD21 LEU 40 1.350 -6.418 -0.339 312 2HD2 LEU 40 HD22 LEU 40 -0.240 -6.139 -1.049 313 3HD2 LEU 40 HD23 LEU 40 0.728 -7.521 -1.565 314 H LEU 41 HN LEU 41 -1.822 -10.636 0.258 315 HA LEU 41 HA LEU 41 -3.932 -8.960 1.088 316 1HB LEU 41 HB2 LEU 41 -3.926 -11.836 0.134 317 2HB LEU 41 HB1 LEU 41 -5.336 -10.780 0.131 318 HG LEU 41 HG LEU 41 -2.755 -10.162 -1.317 319 1HD1 LEU 41 HD11 LEU 41 -4.992 -11.893 -1.996 320 2HD1 LEU 41 HD12 LEU 41 -3.476 -11.639 -2.861 321 3HD1 LEU 41 HD13 LEU 41 -4.846 -10.565 -3.148 322 1HD2 LEU 41 HD21 LEU 41 -4.051 -8.186 -0.690 323 2HD2 LEU 41 HD22 LEU 41 -5.519 -8.914 -1.339 324 3HD2 LEU 41 HD23 LEU 41 -4.206 -8.457 -2.426 325 H GLU 42 HN GLU 42 -3.133 -12.262 2.228 326 HA GLU 42 HA GLU 42 -5.179 -12.553 4.139 327 1HB GLU 42 HB2 GLU 42 -3.482 -14.230 3.326 328 2HB GLU 42 HB1 GLU 42 -2.292 -13.456 4.371 329 1HG GLU 42 HG2 GLU 42 -3.192 -14.343 6.271 330 2HG GLU 42 HG1 GLU 42 -4.847 -14.186 5.679 331 H TYR 43 HN TYR 43 -1.967 -11.024 4.527 332 HA TYR 43 HA TYR 43 -2.205 -10.400 7.312 333 1HB TYR 43 HB2 TYR 43 -0.067 -10.240 6.361 334 2HB TYR 43 HB1 TYR 43 -0.661 -9.405 4.929 335 HD1 TYR 43 HD1 TYR 43 0.354 -9.045 8.445 336 HD2 TYR 43 HD2 TYR 43 -1.147 -6.999 4.977 337 HE1 TYR 43 HE1 TYR 43 0.870 -6.867 9.503 338 HE2 TYR 43 HE2 TYR 43 -0.628 -4.821 6.039 339 HH TYR 43 HH TYR 43 0.086 -4.509 9.324 340 H ALA 44 HN ALA 44 -3.146 -8.645 4.362 341 HA ALA 44 HA ALA 44 -4.015 -6.235 5.690 342 1HB ALA 44 HB1 ALA 44 -3.774 -5.752 3.486 343 2HB ALA 44 HB2 ALA 44 -5.352 -6.505 3.257 344 3HB ALA 44 HB3 ALA 44 -3.883 -7.456 3.038 345 H GLN 45 HN GLN 45 -5.580 -9.308 4.889 346 HA GLN 45 HA GLN 45 -8.300 -8.406 5.309 347 1HB GLN 45 HB2 GLN 45 -7.222 -11.207 5.655 348 2HB GLN 45 HB1 GLN 45 -8.813 -10.723 5.076 349 1HG GLN 45 HG2 GLN 45 -6.924 -9.487 3.368 350 2HG GLN 45 HG1 GLN 45 -6.414 -11.163 3.572 351 1HE2 GLN 45 HE21 GLN 45 -7.180 -10.881 1.090 352 2HE2 GLN 45 HE22 GLN 45 -8.773 -11.367 0.798 353 H THR 46 HN THR 46 -5.732 -8.887 7.480 354 HA THR 46 HA THR 46 -7.572 -9.672 9.706 355 HB THR 46 HB THR 46 -5.527 -10.269 10.846 356 HG1 THR 46 HG1 THR 46 -3.589 -9.690 9.243 357 1HG2 THR 46 HG21 THR 46 -5.988 -11.133 8.086 358 2HG2 THR 46 HG22 THR 46 -5.570 -12.090 9.506 359 3HG2 THR 46 HG23 THR 46 -4.301 -11.302 8.570 360 H HIS 47 HN HIS 47 -5.394 -7.193 8.539 361 HA HIS 47 HA HIS 47 -6.568 -5.240 10.458 362 1HB HIS 47 HB2 HIS 47 -3.621 -5.351 9.781 363 2HB HIS 47 HB1 HIS 47 -4.393 -4.544 11.145 364 HD1 HIS 47 HD1 HIS 47 -5.959 -6.574 12.552 365 HD2 HIS 47 HD2 HIS 47 -2.343 -7.598 10.745 366 HE1 HIS 47 HE1 HIS 47 -5.162 -8.689 13.698 367 H ARG 48 HN ARG 48 -7.664 -4.077 8.821 368 HA ARG 48 HA ARG 48 -6.208 -3.457 6.309 369 1HB ARG 48 HB2 ARG 48 -8.942 -2.419 6.915 370 2HB ARG 48 HB1 ARG 48 -8.314 -3.104 5.420 371 1HG ARG 48 HG2 ARG 48 -8.205 -5.333 6.795 372 2HG ARG 48 HG1 ARG 48 -9.360 -4.520 7.851 373 1HD ARG 48 HD2 ARG 48 -10.716 -4.010 5.717 374 2HD ARG 48 HD1 ARG 48 -9.688 -5.219 4.926 375 HE ARG 48 HE ARG 48 -10.608 -6.328 7.380 376 1HH1 ARG 48 HH11 ARG 48 -11.754 -5.278 4.296 377 2HH1 ARG 48 HH12 ARG 48 -13.085 -6.385 4.265 378 1HH2 ARG 48 HH21 ARG 48 -12.344 -7.781 7.350 379 2HH2 ARG 48 HH22 ARG 48 -13.415 -7.807 5.989 380 H ASP 49 HN ASP 49 -8.084 -1.701 8.749 381 HA ASP 49 HA ASP 49 -7.216 0.933 7.985 382 1HB ASP 49 HB2 ASP 49 -8.359 -0.285 10.519 383 2HB ASP 49 HB1 ASP 49 -8.152 1.452 10.292 384 H GLN 50 HN GLN 50 -6.019 -1.445 10.322 385 HA GLN 50 HA GLN 50 -4.170 0.184 11.732 386 1HB GLN 50 HB2 GLN 50 -4.029 -2.751 10.944 387 2HB GLN 50 HB1 GLN 50 -3.123 -1.998 12.256 388 1HG GLN 50 HG2 GLN 50 -5.213 -1.412 13.399 389 2HG GLN 50 HG1 GLN 50 -6.147 -2.098 12.069 390 1HE2 GLN 50 HE21 GLN 50 -7.040 -4.002 12.937 391 2HE2 GLN 50 HE22 GLN 50 -6.144 -5.199 13.739 392 H ILE 51 HN ILE 51 -4.076 -1.185 8.517 393 HA ILE 51 HA ILE 51 -1.200 -0.948 8.125 394 HB ILE 51 HB ILE 51 -3.387 -0.892 6.028 395 1HG1 ILE 51 HG12 ILE 51 -4.031 -2.676 7.463 396 2HG1 ILE 51 HG11 ILE 51 -3.165 -3.430 6.127 397 1HG2 ILE 51 HG21 ILE 51 -0.573 -2.022 6.115 398 2HG2 ILE 51 HG22 ILE 51 -1.112 -0.623 5.186 399 3HG2 ILE 51 HG23 ILE 51 -1.689 -2.238 4.767 400 1HD1 ILE 51 HD11 ILE 51 -1.068 -3.256 7.595 401 2HD1 ILE 51 HD12 ILE 51 -2.276 -4.441 8.089 402 3HD1 ILE 51 HD13 ILE 51 -2.167 -2.895 8.928 403 H ASP 52 HN ASP 52 -0.153 0.985 7.907 404 HA ASP 52 HA ASP 52 -1.710 3.443 7.434 405 1HB ASP 52 HB2 ASP 52 1.066 2.680 8.263 406 2HB ASP 52 HB1 ASP 52 0.721 4.344 7.790 407 H CYS 53 HN CYS 53 0.644 1.406 5.761 408 HA CYS 53 HA CYS 53 0.035 2.762 3.213 409 1HB CYS 53 HB2 CYS 53 2.116 3.677 4.828 410 2HB CYS 53 HB1 CYS 53 2.927 2.624 3.671 411 HG CYS 53 HG CYS 53 1.086 4.367 2.117 412 H LEU 54 HN LEU 54 0.263 1.279 1.494 413 HA LEU 54 HA LEU 54 1.566 -1.335 2.240 414 1HB LEU 54 HB2 LEU 54 -0.945 -1.110 1.623 415 2HB LEU 54 HB1 LEU 54 -0.366 -0.874 -0.027 416 HG LEU 54 HG LEU 54 0.659 -3.197 1.580 417 1HD1 LEU 54 HD11 LEU 54 -1.371 -4.251 0.032 418 2HD1 LEU 54 HD12 LEU 54 -2.101 -2.781 0.677 419 3HD1 LEU 54 HD13 LEU 54 -1.447 -4.000 1.774 420 1HD2 LEU 54 HD21 LEU 54 1.642 -2.573 -0.638 421 2HD2 LEU 54 HD22 LEU 54 0.063 -2.839 -1.370 422 3HD2 LEU 54 HD23 LEU 54 0.927 -4.184 -0.629 423 H ILE 55 HN ILE 55 3.289 -2.027 0.944 424 HA ILE 55 HA ILE 55 4.034 -0.205 -1.314 425 HB ILE 55 HB ILE 55 5.693 -2.287 0.136 426 1HG1 ILE 55 HG12 ILE 55 5.719 0.718 0.505 427 2HG1 ILE 55 HG11 ILE 55 4.937 -0.404 1.622 428 1HG2 ILE 55 HG21 ILE 55 6.379 -0.020 -1.752 429 2HG2 ILE 55 HG22 ILE 55 6.510 -1.745 -2.096 430 3HG2 ILE 55 HG23 ILE 55 7.570 -1.005 -0.896 431 1HD1 ILE 55 HD11 ILE 55 6.906 -0.984 2.557 432 2HD1 ILE 55 HD12 ILE 55 7.631 0.357 1.671 433 3HD1 ILE 55 HD13 ILE 55 7.641 -1.263 0.978 434 H LEU 56 HN LEU 56 4.193 -1.065 -3.389 435 HA LEU 56 HA LEU 56 3.853 -4.020 -3.691 436 1HB LEU 56 HB2 LEU 56 2.278 -1.759 -4.943 437 2HB LEU 56 HB1 LEU 56 2.235 -3.413 -5.543 438 HG LEU 56 HG LEU 56 1.554 -2.594 -2.709 439 1HD1 LEU 56 HD11 LEU 56 -0.647 -3.730 -4.098 440 2HD1 LEU 56 HD12 LEU 56 0.035 -2.491 -5.154 441 3HD1 LEU 56 HD13 LEU 56 -0.482 -2.073 -3.519 442 1HD2 LEU 56 HD21 LEU 56 0.518 -5.007 -2.899 443 2HD2 LEU 56 HD22 LEU 56 2.241 -4.826 -2.565 444 3HD2 LEU 56 HD23 LEU 56 1.694 -5.202 -4.198 445 H VAL 57 HN VAL 57 4.587 -4.826 -5.740 446 HA VAL 57 HA VAL 57 6.447 -2.961 -7.181 447 HB VAL 57 HB VAL 57 6.541 -5.957 -6.656 448 1HG1 VAL 57 HG11 VAL 57 7.508 -5.659 -8.810 449 2HG1 VAL 57 HG12 VAL 57 8.877 -5.676 -7.696 450 3HG1 VAL 57 HG13 VAL 57 8.278 -4.146 -8.339 451 1HG2 VAL 57 HG21 VAL 57 7.182 -4.030 -4.915 452 2HG2 VAL 57 HG22 VAL 57 8.678 -4.030 -5.850 453 3HG2 VAL 57 HG23 VAL 57 8.138 -5.505 -5.048 454 H ALA 58 HN ALA 58 5.321 -2.387 -9.031 455 HA ALA 58 HA ALA 58 3.257 -3.962 -10.263 456 1HB ALA 58 HB1 ALA 58 3.047 -1.792 -10.916 457 2HB ALA 58 HB2 ALA 58 4.191 -2.229 -12.185 458 3HB ALA 58 HB3 ALA 58 4.769 -1.474 -10.701 459 H ALA 59 HN ALA 59 6.630 -4.358 -10.289 460 HA ALA 59 HA ALA 59 6.974 -5.269 -13.018 461 1HB ALA 59 HB1 ALA 59 9.020 -6.363 -11.623 462 2HB ALA 59 HB2 ALA 59 8.480 -5.149 -10.462 463 3HB ALA 59 HB3 ALA 59 8.977 -4.660 -12.084 464 H ASN 60 HN ASN 60 5.374 -6.699 -10.365 465 HA ASN 60 HA ASN 60 6.143 -9.472 -10.929 466 1HB ASN 60 HB2 ASN 60 4.122 -8.036 -9.222 467 2HB ASN 60 HB1 ASN 60 4.047 -9.790 -9.396 468 1HD2 ASN 60 HD21 ASN 60 5.539 -11.029 -8.183 469 2HD2 ASN 60 HD22 ASN 60 6.779 -10.355 -7.240 470 HA PRO 61 HA PRO 61 3.168 -10.307 -14.034 471 1HB PRO 61 HB2 PRO 61 2.546 -12.910 -13.536 472 2HB PRO 61 HB1 PRO 61 4.124 -12.398 -14.164 473 1HG PRO 61 HG2 PRO 61 3.365 -13.258 -11.442 474 2HG PRO 61 HG1 PRO 61 4.910 -13.413 -12.287 475 1HD PRO 61 HD2 PRO 61 4.274 -11.516 -10.330 476 2HD PRO 61 HD1 PRO 61 5.678 -11.472 -11.418 477 H SER 62 HN SER 62 1.936 -12.050 -11.165 478 HA SER 62 HA SER 62 -0.834 -11.254 -11.884 479 1HB SER 62 HB2 SER 62 -1.084 -12.841 -9.734 480 2HB SER 62 HB1 SER 62 -0.783 -13.492 -11.343 481 HG SER 62 HG SER 62 0.712 -14.344 -9.887 482 H PHE 63 HN PHE 63 1.297 -9.433 -10.550 483 HA PHE 63 HA PHE 63 0.547 -8.904 -7.863 484 1HB PHE 63 HB2 PHE 63 2.484 -7.862 -8.496 485 2HB PHE 63 HB1 PHE 63 1.913 -7.556 -10.135 486 HD1 PHE 63 HD1 PHE 63 1.206 -6.539 -6.594 487 HD2 PHE 63 HD2 PHE 63 1.367 -5.378 -10.720 488 HE1 PHE 63 HE1 PHE 63 0.642 -4.215 -5.961 489 HE2 PHE 63 HE2 PHE 63 0.811 -3.047 -10.094 490 HZ PHE 63 HZ PHE 63 0.450 -2.468 -7.708 491 H ARG 64 HN ARG 64 -0.694 -7.496 -10.918 492 HA ARG 64 HA ARG 64 -2.530 -5.634 -9.923 493 1HB ARG 64 HB2 ARG 64 -2.327 -7.445 -12.292 494 2HB ARG 64 HB1 ARG 64 -3.856 -6.604 -12.043 495 1HG ARG 64 HG2 ARG 64 -2.602 -5.124 -13.396 496 2HG ARG 64 HG1 ARG 64 -2.422 -4.474 -11.766 497 1HD ARG 64 HD2 ARG 64 -0.177 -4.880 -11.745 498 2HD ARG 64 HD1 ARG 64 -0.387 -6.492 -12.461 499 HE ARG 64 HE ARG 64 -0.907 -4.218 -14.271 500 1HH1 ARG 64 HH11 ARG 64 1.315 -6.603 -13.095 501 2HH1 ARG 64 HH12 ARG 64 2.303 -6.554 -14.513 502 1HH2 ARG 64 HH21 ARG 64 0.382 -4.153 -16.108 503 2HH2 ARG 64 HH22 ARG 64 1.777 -5.173 -16.215 504 H ALA 65 HN ALA 65 -2.928 -9.162 -10.290 505 HA ALA 65 HA ALA 65 -5.667 -9.352 -9.517 506 1HB ALA 65 HB1 ALA 65 -4.236 -11.134 -10.554 507 2HB ALA 65 HB2 ALA 65 -5.061 -11.706 -9.103 508 3HB ALA 65 HB3 ALA 65 -3.353 -11.268 -9.033 509 H VAL 66 HN VAL 66 -2.676 -9.289 -7.632 510 HA VAL 66 HA VAL 66 -3.764 -9.824 -5.045 511 HB VAL 66 HB VAL 66 -1.441 -8.073 -5.899 512 1HG1 VAL 66 HG11 VAL 66 -2.312 -9.306 -3.315 513 2HG1 VAL 66 HG12 VAL 66 -1.548 -7.742 -3.607 514 3HG1 VAL 66 HG13 VAL 66 -0.583 -9.217 -3.657 515 1HG2 VAL 66 HG21 VAL 66 -0.643 -10.699 -5.111 516 2HG2 VAL 66 HG22 VAL 66 -0.474 -9.935 -6.690 517 3HG2 VAL 66 HG23 VAL 66 -1.926 -10.857 -6.312 518 H VAL 67 HN VAL 67 -3.036 -6.730 -6.681 519 HA VAL 67 HA VAL 67 -3.931 -4.986 -4.627 520 HB VAL 67 HB VAL 67 -4.222 -4.520 -7.602 521 1HG1 VAL 67 HG11 VAL 67 -3.718 -2.840 -5.154 522 2HG1 VAL 67 HG12 VAL 67 -4.993 -2.677 -6.357 523 3HG1 VAL 67 HG13 VAL 67 -3.332 -2.243 -6.768 524 1HG2 VAL 67 HG21 VAL 67 -1.858 -5.346 -6.192 525 2HG2 VAL 67 HG22 VAL 67 -1.674 -3.653 -6.657 526 3HG2 VAL 67 HG23 VAL 67 -2.012 -4.874 -7.885 527 H GLN 68 HN GLN 68 -5.734 -6.505 -7.321 528 HA GLN 68 HA GLN 68 -8.198 -5.128 -6.872 529 1HB GLN 68 HB2 GLN 68 -8.832 -6.444 -8.625 530 2HB GLN 68 HB1 GLN 68 -7.144 -6.941 -8.657 531 1HG GLN 68 HG2 GLN 68 -8.270 -8.997 -8.589 532 2HG GLN 68 HG1 GLN 68 -7.896 -8.716 -6.891 533 1HE2 GLN 68 HE21 GLN 68 -10.177 -10.299 -7.870 534 2HE2 GLN 68 HE22 GLN 68 -11.584 -9.511 -7.342 535 H GLN 69 HN GLN 69 -6.780 -8.009 -5.374 536 HA GLN 69 HA GLN 69 -9.096 -8.935 -3.982 537 1HB GLN 69 HB2 GLN 69 -6.840 -10.065 -4.343 538 2HB GLN 69 HB1 GLN 69 -6.216 -9.034 -3.055 539 1HG GLN 69 HG2 GLN 69 -6.851 -11.045 -1.960 540 2HG GLN 69 HG1 GLN 69 -8.164 -9.913 -1.630 541 1HE2 GLN 69 HE21 GLN 69 -7.249 -12.490 -3.975 542 2HE2 GLN 69 HE22 GLN 69 -8.841 -13.011 -4.251 543 H LEU 70 HN LEU 70 -6.543 -6.610 -3.039 544 HA LEU 70 HA LEU 70 -7.430 -6.134 -0.375 545 1HB LEU 70 HB2 LEU 70 -5.924 -4.611 -2.479 546 2HB LEU 70 HB1 LEU 70 -6.347 -3.801 -0.972 547 HG LEU 70 HG LEU 70 -5.253 -6.476 -0.515 548 1HD1 LEU 70 HD11 LEU 70 -2.996 -4.813 -1.168 549 2HD1 LEU 70 HD12 LEU 70 -4.026 -4.979 -2.591 550 3HD1 LEU 70 HD13 LEU 70 -3.392 -6.415 -1.783 551 1HD2 LEU 70 HD21 LEU 70 -5.372 -5.002 1.333 552 2HD2 LEU 70 HD22 LEU 70 -4.729 -3.649 0.405 553 3HD2 LEU 70 HD23 LEU 70 -3.668 -4.971 0.883 554 H CYS 71 HN CYS 71 -8.249 -4.404 -3.399 555 HA CYS 71 HA CYS 71 -10.176 -2.617 -2.223 556 1HB CYS 71 HB2 CYS 71 -9.907 -3.787 -5.013 557 2HB CYS 71 HB1 CYS 71 -10.875 -2.369 -4.604 558 HG CYS 71 HG CYS 71 -8.256 -1.648 -3.611 559 H PHE 72 HN PHE 72 -10.370 -5.887 -3.528 560 HA PHE 72 HA PHE 72 -13.175 -6.218 -3.739 561 1HB PHE 72 HB2 PHE 72 -11.290 -7.697 -4.519 562 2HB PHE 72 HB1 PHE 72 -11.083 -8.222 -2.849 563 HD1 PHE 72 HD1 PHE 72 -11.808 -10.447 -2.777 564 HD2 PHE 72 HD2 PHE 72 -14.217 -7.497 -4.764 565 HE1 PHE 72 HE1 PHE 72 -13.613 -12.118 -3.068 566 HE2 PHE 72 HE2 PHE 72 -16.025 -9.172 -5.059 567 HZ PHE 72 HZ PHE 72 -15.721 -11.482 -4.212 568 H GLU 73 HN GLU 73 -11.005 -6.818 -0.969 569 HA GLU 73 HA GLU 73 -13.258 -7.518 0.789 570 1HB GLU 73 HB2 GLU 73 -10.317 -6.994 1.352 571 2HB GLU 73 HB1 GLU 73 -11.444 -7.832 2.416 572 1HG GLU 73 HG2 GLU 73 -10.834 -8.773 -0.389 573 2HG GLU 73 HG1 GLU 73 -9.946 -9.341 1.023 574 H GLY 74 HN GLY 74 -12.035 -4.665 -0.434 575 1HA GLY 74 HA2 GLY 74 -12.777 -2.481 0.153 576 2HA GLY 74 HA1 GLY 74 -13.312 -3.100 1.716 577 H VAL 75 HN VAL 75 -10.128 -4.070 0.800 578 HA VAL 75 HA VAL 75 -9.008 -2.420 2.973 579 HB VAL 75 HB VAL 75 -7.643 -4.379 1.103 580 1HG1 VAL 75 HG11 VAL 75 -6.151 -4.688 3.087 581 2HG1 VAL 75 HG12 VAL 75 -7.035 -3.402 3.903 582 3HG1 VAL 75 HG13 VAL 75 -6.112 -3.045 2.446 583 1HG2 VAL 75 HG21 VAL 75 -8.864 -6.030 2.032 584 2HG2 VAL 75 HG22 VAL 75 -9.726 -4.865 3.040 585 3HG2 VAL 75 HG23 VAL 75 -8.217 -5.581 3.608 586 H VAL 76 HN VAL 76 -8.914 -0.268 2.130 587 HA VAL 76 HA VAL 76 -7.193 0.116 -0.302 588 HB VAL 76 HB VAL 76 -9.166 2.084 0.891 589 1HG1 VAL 76 HG11 VAL 76 -8.948 2.110 -1.966 590 2HG1 VAL 76 HG12 VAL 76 -7.319 2.125 -1.289 591 3HG1 VAL 76 HG13 VAL 76 -8.482 3.367 -0.824 592 1HG2 VAL 76 HG21 VAL 76 -10.251 -0.143 0.355 593 2HG2 VAL 76 HG22 VAL 76 -9.737 0.086 -1.316 594 3HG2 VAL 76 HG23 VAL 76 -10.871 1.217 -0.578 595 H VAL 77 HN VAL 77 -5.322 1.333 -0.016 596 HA VAL 77 HA VAL 77 -4.977 3.008 2.441 597 HB VAL 77 HB VAL 77 -2.776 1.638 2.758 598 1HG1 VAL 77 HG11 VAL 77 -4.706 1.547 4.311 599 2HG1 VAL 77 HG12 VAL 77 -3.936 -0.029 4.133 600 3HG1 VAL 77 HG13 VAL 77 -5.450 0.314 3.296 601 1HG2 VAL 77 HG21 VAL 77 -2.685 -0.523 1.797 602 2HG2 VAL 77 HG22 VAL 77 -3.222 0.511 0.474 603 3HG2 VAL 77 HG23 VAL 77 -4.388 -0.485 1.344 604 HA PRO 78 HA PRO 78 -2.262 5.318 -0.204 605 1HB PRO 78 HB2 PRO 78 -0.127 5.845 1.457 606 2HB PRO 78 HB1 PRO 78 -1.678 6.702 1.579 607 1HG PRO 78 HG2 PRO 78 -0.673 4.388 3.152 608 2HG PRO 78 HG1 PRO 78 -1.507 5.842 3.716 609 1HD PRO 78 HD2 PRO 78 -2.817 3.527 3.442 610 2HD PRO 78 HD1 PRO 78 -3.593 5.072 3.021 611 H ALA 79 HN ALA 79 -1.781 3.486 -1.571 612 HA ALA 79 HA ALA 79 0.514 1.786 -0.792 613 1HB ALA 79 HB1 ALA 79 -1.827 1.036 -1.581 614 2HB ALA 79 HB2 ALA 79 -0.433 0.239 -2.314 615 3HB ALA 79 HB3 ALA 79 -1.291 1.508 -3.194 616 H ILE 80 HN ILE 80 2.448 1.974 -1.745 617 HA ILE 80 HA ILE 80 2.840 3.938 -3.945 618 HB ILE 80 HB ILE 80 4.787 2.498 -2.113 619 1HG1 ILE 80 HG12 ILE 80 3.532 5.236 -1.755 620 2HG1 ILE 80 HG11 ILE 80 2.991 3.785 -0.910 621 1HG2 ILE 80 HG21 ILE 80 5.060 5.138 -3.568 622 2HG2 ILE 80 HG22 ILE 80 5.707 3.616 -4.174 623 3HG2 ILE 80 HG23 ILE 80 6.316 4.292 -2.663 624 1HD1 ILE 80 HD11 ILE 80 4.599 5.222 0.401 625 2HD1 ILE 80 HD12 ILE 80 5.837 4.820 -0.795 626 3HD1 ILE 80 HD13 ILE 80 5.118 3.547 0.197 627 H VAL 81 HN VAL 81 2.893 2.994 -5.993 628 HA VAL 81 HA VAL 81 3.512 0.107 -6.231 629 HB VAL 81 HB VAL 81 2.762 2.121 -8.368 630 1HG1 VAL 81 HG11 VAL 81 3.554 -0.450 -8.652 631 2HG1 VAL 81 HG12 VAL 81 2.364 0.305 -9.711 632 3HG1 VAL 81 HG13 VAL 81 1.833 -0.703 -8.365 633 1HG2 VAL 81 HG21 VAL 81 1.152 0.843 -6.197 634 2HG2 VAL 81 HG22 VAL 81 0.419 0.922 -7.799 635 3HG2 VAL 81 HG23 VAL 81 0.928 2.404 -6.987 636 H VAL 82 HN VAL 82 5.362 -0.705 -7.185 637 HA VAL 82 HA VAL 82 7.409 1.286 -8.111 638 HB VAL 82 HB VAL 82 7.844 -1.489 -6.975 639 1HG1 VAL 82 HG11 VAL 82 10.021 -1.042 -7.337 640 2HG1 VAL 82 HG12 VAL 82 9.887 0.465 -6.428 641 3HG1 VAL 82 HG13 VAL 82 9.538 0.446 -8.157 642 1HG2 VAL 82 HG21 VAL 82 6.573 0.051 -5.405 643 2HG2 VAL 82 HG22 VAL 82 7.968 1.130 -5.458 644 3HG2 VAL 82 HG23 VAL 82 8.140 -0.497 -4.799 645 H GLY 83 HN GLY 83 8.628 0.732 -10.002 646 1HA GLY 83 HA2 GLY 83 9.292 -0.849 -11.743 647 2HA GLY 83 HA1 GLY 83 7.804 -1.744 -11.442 648 H ASP 84 HN ASP 84 7.748 1.756 -11.703 649 HA ASP 84 HA ASP 84 6.178 1.481 -14.238 650 1HB ASP 84 HB2 ASP 84 5.373 3.754 -13.559 651 2HB ASP 84 HB1 ASP 84 5.079 2.539 -12.312 652 H ARG 85 HN ARG 85 6.536 3.258 -15.863 653 HA ARG 85 HA ARG 85 9.389 4.176 -15.850 654 1HB ARG 85 HB2 ARG 85 7.477 3.410 -18.071 655 2HB ARG 85 HB1 ARG 85 9.018 4.217 -18.366 656 1HG ARG 85 HG2 ARG 85 10.044 2.302 -16.940 657 2HG ARG 85 HG1 ARG 85 8.520 1.464 -17.251 658 1HD ARG 85 HD2 ARG 85 8.873 1.867 -19.710 659 2HD ARG 85 HD1 ARG 85 10.477 2.512 -19.317 660 HE ARG 85 HE ARG 85 11.194 0.316 -18.751 661 1HH1 ARG 85 HH11 ARG 85 7.761 0.521 -19.072 662 2HH1 ARG 85 HH12 ARG 85 7.537 -1.194 -19.152 663 1HH2 ARG 85 HH21 ARG 85 10.910 -1.923 -18.863 664 2HH2 ARG 85 HH22 ARG 85 9.316 -2.578 -19.033 665 H ASP 86 HN ASP 86 9.775 6.334 -16.529 666 HA ASP 86 HA ASP 86 7.892 8.318 -15.727 667 1HB ASP 86 HB2 ASP 86 10.447 8.389 -16.019 668 2HB ASP 86 HB1 ASP 86 10.129 8.657 -17.733 669 H SER 87 HN SER 87 8.652 6.957 -18.894 670 HA SER 87 HA SER 87 7.249 8.752 -20.566 671 1HB SER 87 HB2 SER 87 8.856 6.865 -21.114 672 2HB SER 87 HB1 SER 87 7.512 5.750 -20.886 673 HG SER 87 HG SER 87 8.036 7.536 -22.928 674 H GLU 88 HN GLU 88 5.104 8.999 -21.092 675 HA GLU 88 HA GLU 88 3.096 7.439 -19.556 676 1HB GLU 88 HB2 GLU 88 1.684 9.322 -20.069 677 2HB GLU 88 HB1 GLU 88 3.265 9.979 -19.649 678 1HG GLU 88 HG2 GLU 88 3.836 10.221 -22.010 679 2HG GLU 88 HG1 GLU 88 2.327 9.437 -22.485 680 H ASP 89 HN ASP 89 4.513 6.344 -22.019 681 HA ASP 89 HA ASP 89 3.063 6.391 -24.384 682 1HB ASP 89 HB2 ASP 89 4.462 4.213 -22.833 683 2HB ASP 89 HB1 ASP 89 3.723 3.860 -24.396 684 HA PRO 90 HA PRO 90 -0.956 5.108 -22.961 685 1HB PRO 90 HB2 PRO 90 -2.154 5.051 -25.418 686 2HB PRO 90 HB1 PRO 90 -1.804 6.561 -24.552 687 1HG PRO 90 HG2 PRO 90 -0.281 5.253 -26.755 688 2HG PRO 90 HG1 PRO 90 -0.664 6.965 -26.518 689 1HD PRO 90 HD2 PRO 90 1.761 5.913 -25.927 690 2HD PRO 90 HD1 PRO 90 1.065 7.280 -25.029 691 H ASP 91 HN ASP 91 0.998 3.447 -25.362 692 HA ASP 91 HA ASP 91 -0.598 1.179 -25.928 693 1HB ASP 91 HB2 ASP 91 2.349 1.749 -25.703 694 2HB ASP 91 HB1 ASP 91 1.797 0.113 -26.068 695 H GLU 92 HN GLU 92 1.537 1.807 -23.143 696 HA GLU 92 HA GLU 92 0.496 -0.704 -21.887 697 1HB GLU 92 HB2 GLU 92 3.071 0.855 -21.675 698 2HB GLU 92 HB1 GLU 92 2.627 -0.371 -20.486 699 1HG GLU 92 HG2 GLU 92 2.566 -2.095 -22.151 700 2HG GLU 92 HG1 GLU 92 2.675 -0.915 -23.458 701 HA PRO 93 HA PRO 93 -1.431 2.086 -19.032 702 1HB PRO 93 HB2 PRO 93 -2.432 0.197 -17.350 703 2HB PRO 93 HB1 PRO 93 -3.150 0.538 -18.933 704 1HG PRO 93 HG2 PRO 93 -1.412 -1.716 -18.092 705 2HG PRO 93 HG1 PRO 93 -2.736 -1.685 -19.267 706 1HD PRO 93 HD2 PRO 93 -0.042 -1.647 -19.901 707 2HD PRO 93 HD1 PRO 93 -1.352 -1.114 -20.977 708 H ALA 94 HN ALA 94 -0.811 -0.467 -16.734 709 HA ALA 94 HA ALA 94 0.551 -0.522 -14.803 710 1HB ALA 94 HB1 ALA 94 2.502 -0.911 -15.892 711 2HB ALA 94 HB2 ALA 94 2.852 0.798 -15.626 712 3HB ALA 94 HB3 ALA 94 2.123 0.271 -17.143 713 H LYS 95 HN LYS 95 -1.275 1.467 -14.515 714 HA LYS 95 HA LYS 95 0.345 3.681 -13.316 715 1HB LYS 95 HB2 LYS 95 -1.291 5.270 -14.217 716 2HB LYS 95 HB1 LYS 95 -0.638 4.296 -15.534 717 1HG LYS 95 HG2 LYS 95 -2.642 2.726 -15.124 718 2HG LYS 95 HG1 LYS 95 -3.323 4.056 -14.189 719 1HD LYS 95 HD2 LYS 95 -3.043 5.549 -16.169 720 2HD LYS 95 HD1 LYS 95 -2.483 4.156 -17.095 721 1HE LYS 95 HE2 LYS 95 -5.037 3.722 -15.667 722 2HE LYS 95 HE1 LYS 95 -5.105 4.913 -16.981 723 1HZ LYS 95 HZ1 LYS 95 -3.593 2.433 -17.410 724 2HZ LYS 95 HZ2 LYS 95 -4.435 3.394 -18.530 725 3HZ LYS 95 HZ3 LYS 95 -5.286 2.356 -17.489 726 H GLU 96 HN GLU 96 -2.459 4.876 -12.744 727 HA GLU 96 HA GLU 96 -2.754 3.903 -10.081 728 1HB GLU 96 HB2 GLU 96 -4.709 5.304 -11.927 729 2HB GLU 96 HB1 GLU 96 -4.865 5.199 -10.174 730 1HG GLU 96 HG2 GLU 96 -2.584 6.309 -10.019 731 2HG GLU 96 HG1 GLU 96 -2.706 6.614 -11.753 732 H GLN 97 HN GLN 97 -3.908 2.585 -13.091 733 HA GLN 97 HA GLN 97 -6.299 1.279 -12.273 734 1HB GLN 97 HB2 GLN 97 -5.910 -0.115 -14.209 735 2HB GLN 97 HB1 GLN 97 -5.316 1.502 -14.598 736 1HG GLN 97 HG2 GLN 97 -3.036 0.840 -14.193 737 2HG GLN 97 HG1 GLN 97 -3.543 -0.700 -13.497 738 1HE2 GLN 97 HE21 GLN 97 -2.086 -1.623 -15.294 739 2HE2 GLN 97 HE22 GLN 97 -2.775 -1.829 -16.831 740 H LEU 98 HN LEU 98 -2.993 0.599 -11.465 741 HA LEU 98 HA LEU 98 -3.196 -2.197 -10.912 742 1HB LEU 98 HB2 LEU 98 -1.496 0.029 -9.730 743 2HB LEU 98 HB1 LEU 98 -1.152 -1.696 -9.570 744 HG LEU 98 HG LEU 98 -1.362 -0.190 -12.196 745 1HD1 LEU 98 HD11 LEU 98 0.670 0.187 -10.613 746 2HD1 LEU 98 HD12 LEU 98 0.991 -0.234 -12.297 747 3HD1 LEU 98 HD13 LEU 98 1.109 -1.465 -11.040 748 1HD2 LEU 98 HD21 LEU 98 -0.585 -3.052 -11.549 749 2HD2 LEU 98 HD22 LEU 98 -0.509 -2.317 -13.150 750 3HD2 LEU 98 HD23 LEU 98 -2.068 -2.549 -12.356 751 H TYR 99 HN TYR 99 -3.548 0.687 -8.858 752 HA TYR 99 HA TYR 99 -5.111 -0.982 -6.954 753 1HB TYR 99 HB2 TYR 99 -2.610 -0.248 -6.488 754 2HB TYR 99 HB1 TYR 99 -3.352 1.295 -6.081 755 HD1 TYR 99 HD1 TYR 99 -1.829 -0.258 -4.078 756 HD2 TYR 99 HD2 TYR 99 -5.974 -0.453 -5.182 757 HE1 TYR 99 HE1 TYR 99 -2.387 -1.102 -1.815 758 HE2 TYR 99 HE2 TYR 99 -6.536 -1.301 -2.915 759 HH TYR 99 HH TYR 99 -5.668 -1.390 -0.719 760 H HIS 100 HN HIS 100 -5.057 1.871 -5.485 761 HA HIS 100 HA HIS 100 -7.524 2.796 -6.898 762 1HB HIS 100 HB2 HIS 100 -7.532 4.319 -4.737 763 2HB HIS 100 HB1 HIS 100 -7.994 2.627 -4.619 764 HD2 HIS 100 HD2 HIS 100 -5.024 4.969 -3.541 765 HE1 HIS 100 HE1 HIS 100 -4.310 1.121 -1.927 766 HE2 HIS 100 HE2 HIS 100 -3.518 3.504 -2.038 767 H SER 101 HN SER 101 -7.737 5.323 -6.863 768 HA SER 101 HA SER 101 -5.682 6.420 -8.534 769 1HB SER 101 HB2 SER 101 -7.723 7.420 -8.866 770 2HB SER 101 HB1 SER 101 -8.178 7.292 -7.169 771 HG SER 101 HG SER 101 -7.759 9.408 -7.447 772 H ALA 102 HN ALA 102 -5.942 6.235 -5.077 773 HA ALA 102 HA ALA 102 -4.278 8.578 -4.513 774 1HB ALA 102 HB1 ALA 102 -5.289 8.212 -2.534 775 2HB ALA 102 HB2 ALA 102 -4.382 6.709 -2.355 776 3HB ALA 102 HB3 ALA 102 -5.959 6.700 -3.149 777 H GLU 103 HN GLU 103 -3.782 5.089 -4.860 778 HA GLU 103 HA GLU 103 -1.346 4.659 -3.653 779 1HB GLU 103 HB2 GLU 103 -1.289 2.776 -5.004 780 2HB GLU 103 HB1 GLU 103 -2.961 3.267 -5.272 781 1HG GLU 103 HG2 GLU 103 -2.133 4.603 -7.268 782 2HG GLU 103 HG1 GLU 103 -0.572 3.808 -7.055 783 H LEU 104 HN LEU 104 0.682 5.539 -3.875 784 HA LEU 104 HA LEU 104 1.172 7.442 -6.088 785 1HB LEU 104 HB2 LEU 104 2.245 6.820 -3.389 786 2HB LEU 104 HB1 LEU 104 3.406 7.465 -4.548 787 HG LEU 104 HG LEU 104 1.794 9.331 -5.027 788 1HD1 LEU 104 HD11 LEU 104 0.180 9.509 -2.862 789 2HD1 LEU 104 HD12 LEU 104 0.235 7.757 -3.052 790 3HD1 LEU 104 HD13 LEU 104 -0.332 8.771 -4.379 791 1HD2 LEU 104 HD21 LEU 104 2.403 9.242 -2.074 792 2HD2 LEU 104 HD22 LEU 104 2.491 10.617 -3.173 793 3HD2 LEU 104 HD23 LEU 104 3.706 9.342 -3.260 794 H HIS 105 HN HIS 105 3.121 7.220 -7.419 795 HA HIS 105 HA HIS 105 3.919 4.360 -7.791 796 1HB HIS 105 HB2 HIS 105 4.065 6.766 -9.626 797 2HB HIS 105 HB1 HIS 105 4.452 5.107 -10.078 798 HD1 HIS 105 HD1 HIS 105 2.133 6.745 -11.417 799 HD2 HIS 105 HD2 HIS 105 1.638 4.020 -8.300 800 HE1 HIS 105 HE1 HIS 105 -0.272 5.970 -11.523 801 H LEU 106 HN LEU 106 6.112 3.812 -7.728 802 HA LEU 106 HA LEU 106 8.047 6.050 -7.236 803 1HB LEU 106 HB2 LEU 106 7.453 4.920 -5.155 804 2HB LEU 106 HB1 LEU 106 7.811 3.351 -5.879 805 HG LEU 106 HG LEU 106 10.161 4.001 -6.177 806 1HD1 LEU 106 HD11 LEU 106 9.074 6.634 -5.265 807 2HD1 LEU 106 HD12 LEU 106 10.290 6.292 -6.495 808 3HD1 LEU 106 HD13 LEU 106 10.717 6.210 -4.788 809 1HD2 LEU 106 HD21 LEU 106 8.790 3.801 -3.615 810 2HD2 LEU 106 HD22 LEU 106 10.288 4.720 -3.473 811 3HD2 LEU 106 HD23 LEU 106 10.317 3.078 -4.119 812 H GLY 107 HN GLY 107 10.047 5.835 -8.253 813 1HA GLY 107 HA2 GLY 107 10.233 3.945 -10.452 814 2HA GLY 107 HA1 GLY 107 11.472 5.107 -9.981 815 H ILE 108 HN ILE 108 11.477 2.097 -10.581 816 HA ILE 108 HA ILE 108 12.031 0.524 -8.341 817 HB ILE 108 HB ILE 108 13.152 0.667 -11.140 818 1HG1 ILE 108 HG12 ILE 108 10.656 0.409 -10.776 819 2HG1 ILE 108 HG11 ILE 108 11.410 -0.900 -11.689 820 1HG2 ILE 108 HG21 ILE 108 13.876 -1.032 -8.932 821 2HG2 ILE 108 HG22 ILE 108 14.554 -0.967 -10.559 822 3HG2 ILE 108 HG23 ILE 108 13.150 -1.982 -10.228 823 1HD1 ILE 108 HD11 ILE 108 10.902 -2.417 -10.104 824 2HD1 ILE 108 HD12 ILE 108 9.852 -1.189 -9.399 825 3HD1 ILE 108 HD13 ILE 108 11.507 -1.377 -8.813 826 H HIS 109 HN HIS 109 14.302 2.560 -10.223 827 HA HIS 109 HA HIS 109 16.545 1.964 -8.427 828 1HB HIS 109 HB2 HIS 109 16.903 2.425 -10.809 829 2HB HIS 109 HB1 HIS 109 16.109 3.993 -10.644 830 HD1 HIS 109 HD1 HIS 109 19.178 2.141 -9.361 831 HD2 HIS 109 HD2 HIS 109 17.802 6.050 -9.823 832 HE1 HIS 109 HE1 HIS 109 21.114 3.659 -8.759 833 H GLN 110 HN GLN 110 13.803 3.803 -8.086 834 HA GLN 110 HA GLN 110 15.177 5.999 -6.622 835 1HB GLN 110 HB2 GLN 110 12.344 5.560 -7.601 836 2HB GLN 110 HB1 GLN 110 12.867 6.995 -6.720 837 1HG GLN 110 HG2 GLN 110 14.669 7.289 -8.491 838 2HG GLN 110 HG1 GLN 110 13.839 6.043 -9.425 839 1HE2 GLN 110 HE21 GLN 110 12.063 6.719 -10.677 840 2HE2 GLN 110 HE22 GLN 110 11.340 8.249 -10.561 841 H LEU 111 HN LEU 111 15.061 3.291 -5.468 842 HA LEU 111 HA LEU 111 12.935 3.257 -3.475 843 1HB LEU 111 HB2 LEU 111 15.511 1.748 -3.972 844 2HB LEU 111 HB1 LEU 111 14.593 1.483 -2.498 845 HG LEU 111 HG LEU 111 14.205 0.183 -4.935 846 1HD1 LEU 111 HD11 LEU 111 13.566 -0.347 -2.478 847 2HD1 LEU 111 HD12 LEU 111 12.549 -0.993 -3.764 848 3HD1 LEU 111 HD13 LEU 111 12.035 0.435 -2.867 849 1HD2 LEU 111 HD21 LEU 111 13.024 2.298 -5.720 850 2HD2 LEU 111 HD22 LEU 111 11.823 2.004 -4.463 851 3HD2 LEU 111 HD23 LEU 111 12.045 0.837 -5.767 852 H GLU 112 HN GLU 112 12.973 5.055 -2.230 853 HA GLU 112 HA GLU 112 14.643 5.361 0.000 854 1HB GLU 112 HB2 GLU 112 16.027 7.351 -0.878 855 2HB GLU 112 HB1 GLU 112 16.512 5.762 -1.461 856 1HG GLU 112 HG2 GLU 112 14.908 6.225 -3.438 857 2HG GLU 112 HG1 GLU 112 14.973 7.904 -2.911 858 H GLN 113 HN GLN 113 12.668 6.756 -2.502 859 HA GLN 113 HA GLN 113 11.863 9.136 -0.960 860 1HB GLN 113 HB2 GLN 113 11.020 7.821 -3.555 861 2HB GLN 113 HB1 GLN 113 10.297 9.313 -2.956 862 1HG GLN 113 HG2 GLN 113 12.383 10.482 -3.059 863 2HG GLN 113 HG1 GLN 113 13.279 8.987 -3.334 864 1HE2 GLN 113 HE21 GLN 113 13.784 8.618 -5.494 865 2HE2 GLN 113 HE22 GLN 113 12.915 9.226 -6.819 866 H LEU 114 HN LEU 114 11.114 5.871 -0.752 867 HA LEU 114 HA LEU 114 8.331 5.651 -0.614 868 1HB LEU 114 HB2 LEU 114 10.599 4.424 0.941 869 2HB LEU 114 HB1 LEU 114 8.930 3.958 1.262 870 HG LEU 114 HG LEU 114 8.974 3.822 -1.461 871 1HD1 LEU 114 HD11 LEU 114 11.760 3.348 -0.424 872 2HD1 LEU 114 HD12 LEU 114 11.244 4.186 -1.889 873 3HD1 LEU 114 HD13 LEU 114 11.167 2.426 -1.805 874 1HD2 LEU 114 HD21 LEU 114 9.385 1.329 -1.072 875 2HD2 LEU 114 HD22 LEU 114 8.096 2.046 -0.103 876 3HD2 LEU 114 HD23 LEU 114 9.675 1.733 0.617 877 HA PRO 115 HA PRO 115 8.432 7.145 3.964 878 1HB PRO 115 HB2 PRO 115 10.395 8.951 4.606 879 2HB PRO 115 HB1 PRO 115 10.542 7.203 4.888 880 1HG PRO 115 HG2 PRO 115 11.606 8.847 2.630 881 2HG PRO 115 HG1 PRO 115 12.403 7.562 3.557 882 1HD PRO 115 HD2 PRO 115 11.382 7.103 1.125 883 2HD PRO 115 HD1 PRO 115 11.308 5.873 2.405 884 H TYR 116 HN TYR 116 9.965 9.513 1.765 885 HA TYR 116 HA TYR 116 8.133 11.643 2.439 886 1HB TYR 116 HB2 TYR 116 9.765 12.726 1.297 887 2HB TYR 116 HB1 TYR 116 10.481 11.175 0.881 888 HD1 TYR 116 HD1 TYR 116 7.553 13.284 -0.149 889 HD2 TYR 116 HD2 TYR 116 10.772 10.718 -1.367 890 HE1 TYR 116 HE1 TYR 116 6.941 13.637 -2.525 891 HE2 TYR 116 HE2 TYR 116 10.163 11.066 -3.740 892 HH TYR 116 HH TYR 116 8.695 11.981 -5.146 893 H GLN 117 HN GLN 117 8.146 9.004 0.102 894 HA GLN 117 HA GLN 117 5.835 9.887 -1.432 895 1HB GLN 117 HB2 GLN 117 7.192 7.211 -0.970 896 2HB GLN 117 HB1 GLN 117 5.908 7.458 -2.150 897 1HG GLN 117 HG2 GLN 117 8.070 9.434 -2.344 898 2HG GLN 117 HG1 GLN 117 8.598 7.780 -2.652 899 1HE2 GLN 117 HE21 GLN 117 7.340 10.473 -4.190 900 2HE2 GLN 117 HE22 GLN 117 6.608 9.711 -5.518 901 H VAL 118 HN VAL 118 6.410 7.782 1.333 902 HA VAL 118 HA VAL 118 3.772 6.757 1.680 903 HB VAL 118 HB VAL 118 6.282 7.147 3.266 904 1HG1 VAL 118 HG11 VAL 118 4.980 5.934 5.188 905 2HG1 VAL 118 HG12 VAL 118 3.564 6.692 4.467 906 3HG1 VAL 118 HG13 VAL 118 4.886 7.689 5.066 907 1HG2 VAL 118 HG21 VAL 118 4.526 4.898 2.318 908 2HG2 VAL 118 HG22 VAL 118 5.646 4.624 3.650 909 3HG2 VAL 118 HG23 VAL 118 6.256 5.135 2.081 910 H ASP 119 HN ASP 119 5.401 9.533 3.294 911 HA ASP 119 HA ASP 119 3.143 10.488 4.732 912 1HB ASP 119 HB2 ASP 119 5.526 11.842 3.403 913 2HB ASP 119 HB1 ASP 119 4.421 12.701 4.477 914 H ALA 120 HN ALA 120 4.205 10.991 1.386 915 HA ALA 120 HA ALA 120 2.140 12.889 0.646 916 1HB ALA 120 HB1 ALA 120 4.138 12.806 -0.653 917 2HB ALA 120 HB2 ALA 120 2.933 12.027 -1.680 918 3HB ALA 120 HB3 ALA 120 4.078 11.045 -0.768 919 H ALA 121 HN ALA 121 2.582 9.379 0.262 920 HA ALA 121 HA ALA 121 0.142 8.819 -1.117 921 1HB ALA 121 HB1 ALA 121 2.277 7.409 -0.661 922 2HB ALA 121 HB2 ALA 121 0.731 6.562 -0.615 923 3HB ALA 121 HB3 ALA 121 1.529 7.026 0.887 924 H LEU 122 HN LEU 122 0.990 8.917 2.331 925 HA LEU 122 HA LEU 122 -1.455 8.040 3.443 926 1HB LEU 122 HB2 LEU 122 0.643 10.053 4.314 927 2HB LEU 122 HB1 LEU 122 -0.654 9.514 5.380 928 HG LEU 122 HG LEU 122 1.309 7.650 4.021 929 1HD1 LEU 122 HD11 LEU 122 1.277 8.899 6.770 930 2HD1 LEU 122 HD12 LEU 122 2.596 8.884 5.599 931 3HD1 LEU 122 HD13 LEU 122 2.143 7.399 6.440 932 1HD2 LEU 122 HD21 LEU 122 -0.002 6.005 4.786 933 2HD2 LEU 122 HD22 LEU 122 -1.200 7.223 5.223 934 3HD2 LEU 122 HD23 LEU 122 -0.005 6.692 6.409 935 H ALA 123 HN ALA 123 -0.429 11.416 2.732 936 HA ALA 123 HA ALA 123 -2.997 12.542 3.420 937 1HB ALA 123 HB1 ALA 123 -0.788 13.717 3.304 938 2HB ALA 123 HB2 ALA 123 -2.054 14.542 2.396 939 3HB ALA 123 HB3 ALA 123 -0.848 13.573 1.548 940 H GLU 124 HN GLU 124 -1.513 11.574 0.322 941 HA GLU 124 HA GLU 124 -3.598 12.386 -1.423 942 1HB GLU 124 HB2 GLU 124 -1.248 11.507 -1.916 943 2HB GLU 124 HB1 GLU 124 -1.878 9.890 -1.616 944 1HG GLU 124 HG2 GLU 124 -2.017 10.183 -3.973 945 2HG GLU 124 HG1 GLU 124 -3.660 10.430 -3.388 946 H PHE 125 HN PHE 125 -3.168 9.379 0.502 947 HA PHE 125 HA PHE 125 -5.554 8.104 -0.539 948 1HB PHE 125 HB2 PHE 125 -3.683 6.919 0.558 949 2HB PHE 125 HB1 PHE 125 -4.044 7.748 2.075 950 HD1 PHE 125 HD1 PHE 125 -4.996 5.052 -0.174 951 HD2 PHE 125 HD2 PHE 125 -6.246 7.376 3.214 952 HE1 PHE 125 HE1 PHE 125 -6.745 3.374 0.332 953 HE2 PHE 125 HE2 PHE 125 -7.991 5.691 3.729 954 HZ PHE 125 HZ PHE 125 -8.240 3.687 2.287 955 H LEU 126 HN LEU 126 -4.895 10.121 2.346 956 HA LEU 126 HA LEU 126 -7.524 9.904 3.486 957 1HB LEU 126 HB2 LEU 126 -5.340 12.007 3.663 958 2HB LEU 126 HB1 LEU 126 -6.743 11.950 4.728 959 HG LEU 126 HG LEU 126 -4.634 9.804 4.425 960 1HD1 LEU 126 HD11 LEU 126 -3.626 10.768 6.188 961 2HD1 LEU 126 HD12 LEU 126 -5.137 10.766 7.098 962 3HD1 LEU 126 HD13 LEU 126 -4.752 12.118 6.033 963 1HD2 LEU 126 HD21 LEU 126 -7.310 9.856 5.791 964 2HD2 LEU 126 HD22 LEU 126 -5.997 8.882 6.458 965 3HD2 LEU 126 HD23 LEU 126 -6.578 8.576 4.821 966 H ARG 127 HN ARG 127 -6.072 12.366 1.324 967 HA ARG 127 HA ARG 127 -8.335 14.111 1.229 968 1HB ARG 127 HB2 ARG 127 -6.031 14.656 0.483 969 2HB ARG 127 HB1 ARG 127 -6.205 13.522 -0.857 970 1HG ARG 127 HG2 ARG 127 -8.120 14.816 -1.719 971 2HG ARG 127 HG1 ARG 127 -7.946 15.958 -0.384 972 1HD ARG 127 HD2 ARG 127 -5.652 16.511 -1.163 973 2HD ARG 127 HD1 ARG 127 -5.867 15.391 -2.525 974 HE ARG 127 HE ARG 127 -8.002 17.400 -2.226 975 1HH1 ARG 127 HH11 ARG 127 -4.987 16.500 -3.672 976 2HH1 ARG 127 HH12 ARG 127 -5.185 17.561 -5.025 977 1HH2 ARG 127 HH21 ARG 127 -8.255 18.780 -3.991 978 2HH2 ARG 127 HH22 ARG 127 -7.022 18.846 -5.207 979 H LEU 128 HN LEU 128 -7.514 11.219 -0.631 980 HA LEU 128 HA LEU 128 -9.905 11.585 -2.345 981 1HB LEU 128 HB2 LEU 128 -7.576 11.085 -3.180 982 2HB LEU 128 HB1 LEU 128 -7.733 9.500 -2.433 983 HG LEU 128 HG LEU 128 -9.830 9.166 -3.768 984 1HD1 LEU 128 HD11 LEU 128 -10.728 10.901 -4.858 985 2HD1 LEU 128 HD12 LEU 128 -9.259 11.081 -5.818 986 3HD1 LEU 128 HD13 LEU 128 -9.419 11.929 -4.278 987 1HD2 LEU 128 HD21 LEU 128 -8.691 8.497 -5.744 988 2HD2 LEU 128 HD22 LEU 128 -7.474 8.416 -4.467 989 3HD2 LEU 128 HD23 LEU 128 -7.497 9.787 -5.576 990 H ALA 129 HN ALA 129 -9.139 10.047 0.560 991 HA ALA 129 HA ALA 129 -10.522 7.551 0.238 992 1HB ALA 129 HB1 ALA 129 -9.094 9.036 2.214 993 2HB ALA 129 HB2 ALA 129 -9.471 7.313 2.199 994 3HB ALA 129 HB3 ALA 129 -10.597 8.457 2.928 995 HA PRO 130 HA PRO 130 -11.761 6.192 0.705 996 1HB PRO 130 HB2 PRO 130 -13.967 5.106 -0.503 997 2HB PRO 130 HB1 PRO 130 -13.797 5.235 1.258 998 1HG PRO 130 HG2 PRO 130 -15.367 6.911 -0.616 999 2HG PRO 130 HG1 PRO 130 -15.737 6.415 1.042 1000 1HD PRO 130 HD2 PRO 130 -14.798 8.903 0.316 1001 2HD PRO 130 HD1 PRO 130 -14.642 8.193 1.935 1002 H VAL 131 HN VAL 131 -10.313 6.285 -1.001 1003 HA VAL 131 HA VAL 131 -10.669 7.674 -3.454 1004 HB VAL 131 HB VAL 131 -8.640 6.401 -4.094 1005 1HG1 VAL 131 HG11 VAL 131 -7.874 6.710 -1.334 1006 2HG1 VAL 131 HG12 VAL 131 -8.957 8.012 -1.796 1007 3HG1 VAL 131 HG13 VAL 131 -7.480 7.738 -2.708 1008 1HG2 VAL 131 HG21 VAL 131 -7.873 4.763 -2.205 1009 2HG2 VAL 131 HG22 VAL 131 -9.042 4.203 -3.396 1010 3HG2 VAL 131 HG23 VAL 131 -9.586 4.707 -1.798 1011 H GLU 132 HN GLU 132 -10.734 6.659 -5.661 1012 HA GLU 132 HA GLU 132 -12.879 4.639 -5.794 1013 1HB GLU 132 HB2 GLU 132 -11.267 5.979 -7.990 1014 2HB GLU 132 HB1 GLU 132 -12.815 5.156 -8.178 1015 1HG GLU 132 HG2 GLU 132 -13.790 6.844 -6.552 1016 2HG GLU 132 HG1 GLU 132 -12.271 7.731 -6.682 1017 H THR 133 HN THR 133 -12.327 2.514 -5.648 1018 HA THR 133 HA THR 133 -9.628 1.638 -6.603 1019 HB THR 133 HB THR 133 -10.676 -0.496 -5.339 1020 HG1 THR 133 HG1 THR 133 -11.765 1.388 -3.677 1021 1HG2 THR 133 HG21 THR 133 -8.635 0.918 -4.771 1022 2HG2 THR 133 HG22 THR 133 -9.453 0.166 -3.405 1023 3HG2 THR 133 HG23 THR 133 -9.701 1.878 -3.747 1024 H MET 134 HN MET 134 -9.463 0.188 -8.314 1025 HA MET 134 HA MET 134 -11.583 -0.094 -10.202 1026 1HB MET 134 HB2 MET 134 -9.032 -1.663 -9.703 1027 2HB MET 134 HB1 MET 134 -10.008 -1.814 -11.166 1028 1HG MET 134 HG2 MET 134 -9.737 0.888 -11.024 1029 2HG MET 134 HG1 MET 134 -8.208 0.374 -10.311 1030 1HE MET 134 HE1 MET 134 -10.687 0.230 -13.016 1031 2HE MET 134 HE2 MET 134 -9.822 -0.113 -14.512 1032 3HE MET 134 HE3 MET 134 -9.597 1.439 -13.708 1033 H ALA 135 HN ALA 135 -10.502 -2.146 -7.540 1034 HA ALA 135 HA ALA 135 -12.836 -3.956 -8.062 1035 1HB ALA 135 HB1 ALA 135 -11.369 -5.682 -7.957 1036 2HB ALA 135 HB2 ALA 135 -10.648 -5.056 -6.475 1037 3HB ALA 135 HB3 ALA 135 -10.086 -4.477 -8.042 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -3.901 10.738 17.746 2 2H MET 1 HT2 MET 1 -4.061 9.611 16.484 3 3H MET 1 HT3 MET 1 -2.979 10.913 16.334 4 HA MET 1 HA MET 1 -1.768 9.960 18.338 5 1HB MET 1 HB2 MET 1 -3.625 7.703 17.530 6 2HB MET 1 HB1 MET 1 -2.288 7.540 18.661 7 1HG MET 1 HG2 MET 1 -3.339 9.280 20.103 8 2HG MET 1 HG1 MET 1 -4.710 9.329 18.993 9 1HE MET 1 HE1 MET 1 -2.430 6.402 20.073 10 2HE MET 1 HE2 MET 1 -3.337 5.632 21.368 11 3HE MET 1 HE3 MET 1 -2.688 7.251 21.602 12 H LEU 2 HN LEU 2 -0.156 10.426 16.684 13 HA LEU 2 HA LEU 2 0.157 9.019 14.226 14 1HB LEU 2 HB2 LEU 2 1.297 11.105 14.861 15 2HB LEU 2 HB1 LEU 2 2.179 10.243 16.120 16 HG LEU 2 HG LEU 2 3.079 8.733 14.268 17 1HD1 LEU 2 HD11 LEU 2 2.331 11.012 12.440 18 2HD1 LEU 2 HD12 LEU 2 1.252 9.633 12.653 19 3HD1 LEU 2 HD13 LEU 2 2.879 9.389 12.014 20 1HD2 LEU 2 HD21 LEU 2 4.047 11.448 13.609 21 2HD2 LEU 2 HD22 LEU 2 4.936 10.060 14.228 22 3HD2 LEU 2 HD23 LEU 2 4.016 11.072 15.337 23 H SER 3 HN SER 3 1.399 8.325 17.485 24 HA SER 3 HA SER 3 2.635 6.463 18.292 25 1HB SER 3 HB2 SER 3 1.344 4.344 17.196 26 2HB SER 3 HB1 SER 3 0.649 5.330 18.479 27 HG SER 3 HG SER 3 -0.704 6.181 17.088 28 H GLN 4 HN GLN 4 1.870 4.633 15.436 29 HA GLN 4 HA GLN 4 4.538 5.150 14.252 30 1HB GLN 4 HB2 GLN 4 3.495 2.479 15.249 31 2HB GLN 4 HB1 GLN 4 4.942 2.662 14.255 32 1HG GLN 4 HG2 GLN 4 5.899 4.189 15.967 33 2HG GLN 4 HG1 GLN 4 4.481 3.911 16.978 34 1HE2 GLN 4 HE21 GLN 4 7.634 2.838 16.469 35 2HE2 GLN 4 HE22 GLN 4 7.496 1.298 17.169 36 H ILE 5 HN ILE 5 4.673 4.058 12.045 37 HA ILE 5 HA ILE 5 1.969 4.121 10.781 38 HB ILE 5 HB ILE 5 4.770 4.374 9.627 39 1HG1 ILE 5 HG12 ILE 5 2.661 6.469 10.264 40 2HG1 ILE 5 HG11 ILE 5 4.163 6.225 11.156 41 1HG2 ILE 5 HG21 ILE 5 2.211 5.248 8.307 42 2HG2 ILE 5 HG22 ILE 5 2.729 3.568 8.185 43 3HG2 ILE 5 HG23 ILE 5 3.763 4.855 7.564 44 1HD1 ILE 5 HD11 ILE 5 4.081 6.844 8.194 45 2HD1 ILE 5 HD12 ILE 5 5.490 6.852 9.257 46 3HD1 ILE 5 HD13 ILE 5 4.238 8.084 9.436 47 H ALA 6 HN ALA 6 1.135 2.258 9.922 48 HA ALA 6 HA ALA 6 2.780 -0.204 10.043 49 1HB ALA 6 HB1 ALA 6 0.482 -0.073 10.993 50 2HB ALA 6 HB2 ALA 6 0.587 -1.286 9.717 51 3HB ALA 6 HB3 ALA 6 -0.144 0.282 9.384 52 H ILE 7 HN ILE 7 3.945 -0.683 8.224 53 HA ILE 7 HA ILE 7 2.681 -0.060 5.583 54 HB ILE 7 HB ILE 7 5.549 0.182 6.537 55 1HG1 ILE 7 HG12 ILE 7 3.526 2.225 5.576 56 2HG1 ILE 7 HG11 ILE 7 4.016 1.980 7.251 57 1HG2 ILE 7 HG21 ILE 7 4.406 -0.034 3.836 58 2HG2 ILE 7 HG22 ILE 7 6.078 -0.202 4.365 59 3HG2 ILE 7 HG23 ILE 7 5.410 1.402 4.073 60 1HD1 ILE 7 HD11 ILE 7 5.444 3.708 6.662 61 2HD1 ILE 7 HD12 ILE 7 5.553 3.181 4.982 62 3HD1 ILE 7 HD13 ILE 7 6.444 2.319 6.233 63 H CYS 8 HN CYS 8 2.269 -1.934 4.506 64 HA CYS 8 HA CYS 8 4.010 -4.319 5.053 65 1HB CYS 8 HB2 CYS 8 1.426 -4.275 5.403 66 2HB CYS 8 HB1 CYS 8 1.339 -4.320 3.641 67 HG CYS 8 HG CYS 8 1.549 -6.769 5.038 68 H ILE 9 HN ILE 9 5.399 -4.874 3.407 69 HA ILE 9 HA ILE 9 4.845 -3.714 0.705 70 HB ILE 9 HB ILE 9 6.888 -2.944 1.725 71 1HG1 ILE 9 HG12 ILE 9 7.510 -5.164 -0.246 72 2HG1 ILE 9 HG11 ILE 9 6.991 -3.539 -0.686 73 1HG2 ILE 9 HG21 ILE 9 7.215 -5.864 2.351 74 2HG2 ILE 9 HG22 ILE 9 7.333 -4.480 3.435 75 3HG2 ILE 9 HG23 ILE 9 8.622 -4.807 2.279 76 1HD1 ILE 9 HD11 ILE 9 9.400 -3.966 1.068 77 2HD1 ILE 9 HD12 ILE 9 8.980 -2.557 0.099 78 3HD1 ILE 9 HD13 ILE 9 9.535 -4.031 -0.691 79 H TRP 10 HN TRP 10 4.926 -5.048 -1.082 80 HA TRP 10 HA TRP 10 5.154 -7.995 -0.530 81 1HB TRP 10 HB2 TRP 10 2.914 -7.383 -1.262 82 2HB TRP 10 HB1 TRP 10 3.569 -6.447 -2.610 83 HD1 TRP 10 HD1 TRP 10 5.404 -9.623 -1.935 84 HE1 TRP 10 HE1 TRP 10 4.863 -11.374 -3.750 85 HE3 TRP 10 HE3 TRP 10 1.479 -7.307 -4.237 86 HZ2 TRP 10 HZ2 TRP 10 2.995 -11.745 -5.888 87 HZ3 TRP 10 HZ3 TRP 10 0.352 -8.374 -6.157 88 HH2 TRP 10 HH2 TRP 10 1.094 -10.590 -6.988 89 H VAL 11 HN VAL 11 7.249 -8.474 -1.119 90 HA VAL 11 HA VAL 11 8.065 -7.864 -3.905 91 HB VAL 11 HB VAL 11 8.812 -5.925 -2.721 92 1HG1 VAL 11 HG11 VAL 11 9.785 -7.858 -0.605 93 2HG1 VAL 11 HG12 VAL 11 8.447 -6.721 -0.461 94 3HG1 VAL 11 HG13 VAL 11 10.100 -6.123 -0.594 95 1HG2 VAL 11 HG21 VAL 11 10.553 -6.862 -4.160 96 2HG2 VAL 11 HG22 VAL 11 11.080 -7.934 -2.861 97 3HG2 VAL 11 HG23 VAL 11 11.295 -6.190 -2.706 98 H GLU 12 HN GLU 12 8.901 -9.721 -4.681 99 HA GLU 12 HA GLU 12 9.605 -11.969 -2.959 100 1HB GLU 12 HB2 GLU 12 9.484 -11.333 -5.889 101 2HB GLU 12 HB1 GLU 12 10.295 -12.815 -5.369 102 1HG GLU 12 HG2 GLU 12 8.238 -13.456 -4.121 103 2HG GLU 12 HG1 GLU 12 7.440 -12.002 -4.723 104 H SER 13 HN SER 13 11.322 -9.336 -4.430 105 HA SER 13 HA SER 13 13.960 -10.672 -4.180 106 1HB SER 13 HB2 SER 13 12.966 -8.987 -6.001 107 2HB SER 13 HB1 SER 13 13.553 -7.785 -4.860 108 HG SER 13 HG SER 13 15.604 -8.659 -5.035 109 H THR 14 HN THR 14 14.790 -10.671 -2.078 110 HA THR 14 HA THR 14 13.996 -9.000 0.062 111 HB THR 14 HB THR 14 16.816 -9.980 -0.354 112 HG1 THR 14 HG1 THR 14 15.383 -11.889 0.741 113 1HG2 THR 14 HG21 THR 14 15.515 -8.837 1.789 114 2HG2 THR 14 HG22 THR 14 16.976 -9.821 1.890 115 3HG2 THR 14 HG23 THR 14 15.394 -10.563 2.139 116 H ALA 15 HN ALA 15 16.456 -8.514 -2.445 117 HA ALA 15 HA ALA 15 17.789 -6.233 -1.442 118 1HB ALA 15 HB1 ALA 15 16.982 -6.877 -4.299 119 2HB ALA 15 HB2 ALA 15 18.344 -7.615 -3.457 120 3HB ALA 15 HB3 ALA 15 18.358 -5.885 -3.803 121 H ILE 16 HN ILE 16 14.826 -6.398 -3.432 122 HA ILE 16 HA ILE 16 14.370 -3.541 -3.516 123 HB ILE 16 HB ILE 16 12.728 -6.057 -3.897 124 1HG1 ILE 16 HG12 ILE 16 13.371 -3.932 -5.938 125 2HG1 ILE 16 HG11 ILE 16 14.539 -5.194 -5.544 126 1HG2 ILE 16 HG21 ILE 16 10.782 -4.906 -4.271 127 2HG2 ILE 16 HG22 ILE 16 11.621 -3.451 -4.811 128 3HG2 ILE 16 HG23 ILE 16 11.489 -3.806 -3.090 129 1HD1 ILE 16 HD11 ILE 16 12.656 -5.509 -7.451 130 2HD1 ILE 16 HD12 ILE 16 11.753 -6.091 -6.051 131 3HD1 ILE 16 HD13 ILE 16 13.279 -6.852 -6.497 132 H LEU 17 HN LEU 17 13.233 -6.205 -1.489 133 HA LEU 17 HA LEU 17 11.453 -4.782 0.205 134 1HB LEU 17 HB2 LEU 17 11.476 -7.162 0.156 135 2HB LEU 17 HB1 LEU 17 13.216 -7.229 0.413 136 HG LEU 17 HG LEU 17 11.627 -7.778 2.402 137 1HD1 LEU 17 HD11 LEU 17 14.193 -7.181 2.279 138 2HD1 LEU 17 HD12 LEU 17 13.373 -7.263 3.838 139 3HD1 LEU 17 HD13 LEU 17 13.674 -5.700 3.083 140 1HD2 LEU 17 HD21 LEU 17 10.557 -6.060 3.486 141 2HD2 LEU 17 HD22 LEU 17 10.530 -5.374 1.862 142 3HD2 LEU 17 HD23 LEU 17 11.766 -4.872 3.013 143 H GLN 18 HN GLN 18 14.938 -5.504 0.548 144 HA GLN 18 HA GLN 18 15.296 -4.156 3.051 145 1HB GLN 18 HB2 GLN 18 17.115 -4.886 0.743 146 2HB GLN 18 HB1 GLN 18 17.720 -4.250 2.276 147 1HG GLN 18 HG2 GLN 18 16.443 -6.106 3.435 148 2HG GLN 18 HG1 GLN 18 16.138 -6.795 1.843 149 1HE2 GLN 18 HE21 GLN 18 17.943 -7.588 4.283 150 2HE2 GLN 18 HE22 GLN 18 19.419 -7.979 3.541 151 H ASP 19 HN ASP 19 15.404 -3.034 -0.310 152 HA ASP 19 HA ASP 19 16.509 -0.420 0.256 153 1HB ASP 19 HB2 ASP 19 14.749 -1.473 -1.989 154 2HB ASP 19 HB1 ASP 19 15.647 0.045 -2.035 155 H CYS 20 HN CYS 20 13.189 -1.698 0.000 156 HA CYS 20 HA CYS 20 11.829 0.822 0.317 157 1HB CYS 20 HB2 CYS 20 11.091 -2.069 0.868 158 2HB CYS 20 HB1 CYS 20 9.929 -0.744 0.932 159 HG CYS 20 HG CYS 20 10.061 -0.469 -1.585 160 H GLN 21 HN GLN 21 12.819 -1.706 2.627 161 HA GLN 21 HA GLN 21 11.691 -0.470 4.972 162 1HB GLN 21 HB2 GLN 21 13.986 -2.397 4.521 163 2HB GLN 21 HB1 GLN 21 13.240 -2.076 6.091 164 1HG GLN 21 HG2 GLN 21 11.044 -2.755 5.153 165 2HG GLN 21 HG1 GLN 21 11.846 -3.166 3.637 166 1HE2 GLN 21 HE21 GLN 21 10.472 -4.863 5.785 167 2HE2 GLN 21 HE22 GLN 21 11.606 -6.071 6.146 168 H ARG 22 HN ARG 22 14.761 -0.232 3.280 169 HA ARG 22 HA ARG 22 16.320 1.170 5.177 170 1HB ARG 22 HB2 ARG 22 16.126 0.894 2.207 171 2HB ARG 22 HB1 ARG 22 17.210 2.131 2.852 172 1HG ARG 22 HG2 ARG 22 18.393 0.465 4.180 173 2HG ARG 22 HG1 ARG 22 17.247 -0.784 3.695 174 1HD ARG 22 HD2 ARG 22 17.995 -0.702 1.404 175 2HD ARG 22 HD1 ARG 22 18.975 0.743 1.720 176 HE ARG 22 HE ARG 22 19.816 -1.209 3.575 177 1HH1 ARG 22 HH11 ARG 22 19.706 -0.694 0.162 178 2HH1 ARG 22 HH12 ARG 22 21.078 -1.697 -0.165 179 1HH2 ARG 22 HH21 ARG 22 21.624 -2.491 3.168 180 2HH2 ARG 22 HH22 ARG 22 22.187 -2.690 1.542 181 H ALA 23 HN ALA 23 14.207 2.455 2.585 182 HA ALA 23 HA ALA 23 14.511 5.209 3.450 183 1HB ALA 23 HB1 ALA 23 13.190 5.628 1.588 184 2HB ALA 23 HB2 ALA 23 12.144 4.240 1.898 185 3HB ALA 23 HB3 ALA 23 13.739 4.004 1.181 186 H LEU 24 HN LEU 24 11.887 2.769 3.772 187 HA LEU 24 HA LEU 24 10.466 4.475 5.727 188 1HB LEU 24 HB2 LEU 24 9.958 1.680 4.652 189 2HB LEU 24 HB1 LEU 24 8.793 2.697 5.504 190 HG LEU 24 HG LEU 24 10.090 3.277 2.834 191 1HD1 LEU 24 HD11 LEU 24 8.273 1.788 2.544 192 2HD1 LEU 24 HD12 LEU 24 7.625 3.387 2.180 193 3HD1 LEU 24 HD13 LEU 24 7.290 2.631 3.737 194 1HD2 LEU 24 HD21 LEU 24 8.863 5.009 4.862 195 2HD2 LEU 24 HD22 LEU 24 8.160 5.191 3.256 196 3HD2 LEU 24 HD23 LEU 24 9.891 5.424 3.498 197 H SER 25 HN SER 25 12.927 3.904 6.712 198 HA SER 25 HA SER 25 12.631 1.591 8.583 199 1HB SER 25 HB2 SER 25 14.858 1.316 8.197 200 2HB SER 25 HB1 SER 25 14.705 2.534 6.935 201 HG SER 25 HG SER 25 16.250 3.248 8.354 202 H ALA 26 HN ALA 26 11.468 4.452 8.683 203 HA ALA 26 HA ALA 26 12.756 5.963 10.718 204 1HB ALA 26 HB1 ALA 26 11.051 7.284 10.056 205 2HB ALA 26 HB2 ALA 26 9.915 6.214 10.874 206 3HB ALA 26 HB3 ALA 26 10.342 5.927 9.184 207 H ASP 27 HN ASP 27 12.629 5.865 12.952 208 HA ASP 27 HA ASP 27 12.247 3.454 14.314 209 1HB ASP 27 HB2 ASP 27 11.798 6.295 15.287 210 2HB ASP 27 HB1 ASP 27 12.199 4.910 16.303 211 H ARG 28 HN ARG 28 9.832 5.644 13.102 212 HA ARG 28 HA ARG 28 7.731 4.392 14.823 213 1HB ARG 28 HB2 ARG 28 6.435 6.346 14.213 214 2HB ARG 28 HB1 ARG 28 8.054 6.889 14.656 215 1HG ARG 28 HG2 ARG 28 8.629 6.736 12.164 216 2HG ARG 28 HG1 ARG 28 6.894 6.583 11.882 217 1HD ARG 28 HD2 ARG 28 6.458 8.739 12.876 218 2HD ARG 28 HD1 ARG 28 8.130 8.865 13.456 219 HE ARG 28 HE ARG 28 7.905 8.467 10.560 220 1HH1 ARG 28 HH11 ARG 28 7.996 10.701 13.203 221 2HH1 ARG 28 HH12 ARG 28 8.587 12.014 12.241 222 1HH2 ARG 28 HH21 ARG 28 8.698 10.177 9.307 223 2HH2 ARG 28 HH22 ARG 28 8.988 11.717 10.045 224 H TYR 29 HN TYR 29 9.030 3.109 12.358 225 HA TYR 29 HA TYR 29 6.612 2.948 10.601 226 1HB TYR 29 HB2 TYR 29 9.562 2.840 10.275 227 2HB TYR 29 HB1 TYR 29 8.624 1.774 9.235 228 HD1 TYR 29 HD1 TYR 29 8.428 5.261 10.538 229 HD2 TYR 29 HD2 TYR 29 7.980 2.634 7.187 230 HE1 TYR 29 HE1 TYR 29 7.846 7.203 9.112 231 HE2 TYR 29 HE2 TYR 29 7.373 4.561 5.755 232 HH TYR 29 HH TYR 29 6.729 7.699 7.047 233 H GLN 30 HN GLN 30 5.663 0.934 10.247 234 HA GLN 30 HA GLN 30 6.845 -1.399 11.724 235 1HB GLN 30 HB2 GLN 30 4.441 -0.251 12.135 236 2HB GLN 30 HB1 GLN 30 3.999 -1.329 10.809 237 1HG GLN 30 HG2 GLN 30 4.682 -3.265 12.010 238 2HG GLN 30 HG1 GLN 30 5.541 -2.305 13.214 239 1HE2 GLN 30 HE21 GLN 30 2.898 -4.164 13.039 240 2HE2 GLN 30 HE22 GLN 30 1.848 -3.327 14.079 241 H LEU 31 HN LEU 31 8.190 -1.990 9.886 242 HA LEU 31 HA LEU 31 6.991 -2.298 7.240 243 1HB LEU 31 HB2 LEU 31 9.653 -2.824 8.552 244 2HB LEU 31 HB1 LEU 31 9.349 -3.343 6.896 245 HG LEU 31 HG LEU 31 10.413 -1.048 7.181 246 1HD1 LEU 31 HD11 LEU 31 8.407 -0.078 5.614 247 2HD1 LEU 31 HD12 LEU 31 8.064 -1.807 5.553 248 3HD1 LEU 31 HD13 LEU 31 9.639 -1.201 5.041 249 1HD2 LEU 31 HD21 LEU 31 8.873 0.793 7.714 250 2HD2 LEU 31 HD22 LEU 31 9.036 -0.311 9.081 251 3HD2 LEU 31 HD23 LEU 31 7.596 -0.372 8.063 252 H GLN 32 HN GLN 32 5.823 -4.054 6.662 253 HA GLN 32 HA GLN 32 6.417 -6.687 7.967 254 1HB GLN 32 HB2 GLN 32 4.027 -5.175 7.446 255 2HB GLN 32 HB1 GLN 32 3.957 -6.665 6.504 256 1HG GLN 32 HG2 GLN 32 4.601 -6.542 9.463 257 2HG GLN 32 HG1 GLN 32 3.010 -6.924 8.806 258 1HE2 GLN 32 HE21 GLN 32 3.726 -8.556 6.611 259 2HE2 GLN 32 HE22 GLN 32 4.463 -9.972 7.190 260 H VAL 33 HN VAL 33 7.262 -8.253 6.578 261 HA VAL 33 HA VAL 33 7.354 -7.552 3.669 262 HB VAL 33 HB VAL 33 9.002 -9.540 5.254 263 1HG1 VAL 33 HG11 VAL 33 10.595 -9.143 3.337 264 2HG1 VAL 33 HG12 VAL 33 9.323 -8.216 2.545 265 3HG1 VAL 33 HG13 VAL 33 9.089 -9.935 2.866 266 1HG2 VAL 33 HG21 VAL 33 10.728 -7.607 5.037 267 2HG2 VAL 33 HG22 VAL 33 9.490 -7.478 6.286 268 3HG2 VAL 33 HG23 VAL 33 9.315 -6.579 4.779 269 H CYS 34 HN CYS 34 6.338 -8.842 2.210 270 HA CYS 34 HA CYS 34 5.172 -11.423 3.211 271 1HB CYS 34 HB2 CYS 34 4.299 -9.308 1.254 272 2HB CYS 34 HB1 CYS 34 3.637 -10.940 1.148 273 HG CYS 34 HG CYS 34 2.276 -10.522 3.178 274 H GLU 35 HN GLU 35 6.113 -13.211 2.372 275 HA GLU 35 HA GLU 35 8.096 -13.142 0.287 276 1HB GLU 35 HB2 GLU 35 6.471 -15.398 1.509 277 2HB GLU 35 HB1 GLU 35 7.932 -15.613 0.545 278 1HG GLU 35 HG2 GLU 35 9.213 -14.278 2.177 279 2HG GLU 35 HG1 GLU 35 7.752 -14.067 3.146 280 H SER 36 HN SER 36 4.624 -13.416 0.271 281 HA SER 36 HA SER 36 4.739 -13.930 -2.686 282 1HB SER 36 HB2 SER 36 3.163 -15.204 -0.468 283 2HB SER 36 HB1 SER 36 2.470 -15.143 -2.087 284 HG SER 36 HG SER 36 5.084 -15.914 -2.111 285 H GLY 37 HN GLY 37 2.050 -13.577 -3.264 286 1HA GLY 37 HA2 GLY 37 1.626 -10.726 -2.494 287 2HA GLY 37 HA1 GLY 37 0.946 -11.503 -3.932 288 H GLU 38 HN GLU 38 0.465 -13.940 -2.252 289 HA GLU 38 HA GLU 38 -2.261 -13.350 -1.472 290 1HB GLU 38 HB2 GLU 38 -0.326 -15.667 -1.430 291 2HB GLU 38 HB1 GLU 38 -1.917 -15.817 -0.700 292 1HG GLU 38 HG2 GLU 38 -2.898 -14.999 -2.890 293 2HG GLU 38 HG1 GLU 38 -1.283 -15.146 -3.581 294 H MET 39 HN MET 39 0.841 -13.924 0.123 295 HA MET 39 HA MET 39 -0.071 -14.007 2.817 296 1HB MET 39 HB2 MET 39 2.491 -13.257 1.400 297 2HB MET 39 HB1 MET 39 2.391 -13.210 3.155 298 1HG MET 39 HG2 MET 39 1.291 -15.658 2.648 299 2HG MET 39 HG1 MET 39 2.458 -15.536 1.333 300 1HE MET 39 HE1 MET 39 2.984 -15.495 5.798 301 2HE MET 39 HE2 MET 39 2.389 -16.968 5.036 302 3HE MET 39 HE3 MET 39 1.537 -15.448 4.781 303 H LEU 40 HN LEU 40 0.602 -11.343 0.603 304 HA LEU 40 HA LEU 40 0.567 -9.206 2.548 305 1HB LEU 40 HB2 LEU 40 1.369 -9.294 0.076 306 2HB LEU 40 HB1 LEU 40 -0.327 -9.057 -0.340 307 HG LEU 40 HG LEU 40 0.618 -6.872 -0.304 308 1HD1 LEU 40 HD11 LEU 40 -0.650 -5.773 1.368 309 2HD1 LEU 40 HD12 LEU 40 -0.509 -7.133 2.481 310 3HD1 LEU 40 HD13 LEU 40 -1.528 -7.269 1.048 311 1HD2 LEU 40 HD21 LEU 40 1.870 -6.079 1.763 312 2HD2 LEU 40 HD22 LEU 40 2.718 -7.285 0.793 313 3HD2 LEU 40 HD23 LEU 40 1.907 -7.757 2.286 314 H LEU 41 HN LEU 41 -1.900 -10.738 0.503 315 HA LEU 41 HA LEU 41 -4.092 -9.048 1.139 316 1HB LEU 41 HB2 LEU 41 -3.979 -12.033 0.588 317 2HB LEU 41 HB1 LEU 41 -5.403 -11.014 0.404 318 HG LEU 41 HG LEU 41 -2.809 -10.676 -1.123 319 1HD1 LEU 41 HD11 LEU 41 -5.156 -11.220 -2.703 320 2HD1 LEU 41 HD12 LEU 41 -4.959 -12.485 -1.489 321 3HD1 LEU 41 HD13 LEU 41 -3.653 -12.134 -2.621 322 1HD2 LEU 41 HD21 LEU 41 -4.102 -8.577 -0.675 323 2HD2 LEU 41 HD22 LEU 41 -5.504 -9.320 -1.441 324 3HD2 LEU 41 HD23 LEU 41 -4.054 -8.997 -2.389 325 H GLU 42 HN GLU 42 -3.135 -12.178 2.571 326 HA GLU 42 HA GLU 42 -5.063 -12.297 4.614 327 1HB GLU 42 HB2 GLU 42 -3.407 -14.027 3.810 328 2HB GLU 42 HB1 GLU 42 -2.167 -13.181 4.734 329 1HG GLU 42 HG2 GLU 42 -4.115 -13.439 6.622 330 2HG GLU 42 HG1 GLU 42 -4.367 -14.908 5.676 331 H TYR 43 HN TYR 43 -1.860 -10.677 4.646 332 HA TYR 43 HA TYR 43 -1.942 -9.935 7.419 333 1HB TYR 43 HB2 TYR 43 0.138 -9.826 6.303 334 2HB TYR 43 HB1 TYR 43 -0.539 -8.926 4.946 335 HD1 TYR 43 HD1 TYR 43 0.636 -8.705 8.438 336 HD2 TYR 43 HD2 TYR 43 -0.987 -6.534 5.106 337 HE1 TYR 43 HE1 TYR 43 1.207 -6.565 9.553 338 HE2 TYR 43 HE2 TYR 43 -0.414 -4.397 6.216 339 HH TYR 43 HH TYR 43 1.456 -4.329 9.208 340 H ALA 44 HN ALA 44 -3.152 -8.350 4.472 341 HA ALA 44 HA ALA 44 -3.963 -5.919 5.879 342 1HB ALA 44 HB1 ALA 44 -3.503 -6.760 3.265 343 2HB ALA 44 HB2 ALA 44 -4.171 -5.198 3.734 344 3HB ALA 44 HB3 ALA 44 -5.253 -6.525 3.318 345 H GLN 45 HN GLN 45 -5.359 -9.056 5.330 346 HA GLN 45 HA GLN 45 -8.144 -8.465 5.388 347 1HB GLN 45 HB2 GLN 45 -6.521 -10.795 6.458 348 2HB GLN 45 HB1 GLN 45 -8.273 -10.807 6.317 349 1HG GLN 45 HG2 GLN 45 -6.199 -10.965 4.193 350 2HG GLN 45 HG1 GLN 45 -7.742 -11.791 4.316 351 1HE2 GLN 45 HE21 GLN 45 -6.178 -9.488 2.523 352 2HE2 GLN 45 HE22 GLN 45 -7.507 -8.599 1.984 353 H THR 46 HN THR 46 -5.764 -8.668 8.008 354 HA THR 46 HA THR 46 -7.979 -8.300 9.986 355 HB THR 46 HB THR 46 -6.418 -9.294 11.543 356 HG1 THR 46 HG1 THR 46 -4.291 -9.873 10.382 357 1HG2 THR 46 HG21 THR 46 -7.414 -10.604 9.361 358 2HG2 THR 46 HG22 THR 46 -6.543 -11.400 10.673 359 3HG2 THR 46 HG23 THR 46 -5.692 -10.943 9.196 360 H HIS 47 HN HIS 47 -6.354 -6.205 8.278 361 HA HIS 47 HA HIS 47 -6.180 -4.228 10.443 362 1HB HIS 47 HB2 HIS 47 -3.793 -5.524 9.137 363 2HB HIS 47 HB1 HIS 47 -3.677 -3.881 9.756 364 HD1 HIS 47 HD1 HIS 47 -5.432 -4.165 12.278 365 HD2 HIS 47 HD2 HIS 47 -2.517 -6.930 11.175 366 HE1 HIS 47 HE1 HIS 47 -4.772 -5.387 14.395 367 H ARG 48 HN ARG 48 -7.406 -4.661 7.663 368 HA ARG 48 HA ARG 48 -6.365 -3.228 5.547 369 1HB ARG 48 HB2 ARG 48 -9.109 -2.396 6.369 370 2HB ARG 48 HB1 ARG 48 -8.541 -2.961 4.808 371 1HG ARG 48 HG2 ARG 48 -8.361 -5.265 5.798 372 2HG ARG 48 HG1 ARG 48 -9.153 -4.632 7.243 373 1HD ARG 48 HD2 ARG 48 -10.505 -3.990 4.681 374 2HD ARG 48 HD1 ARG 48 -10.549 -5.691 5.172 375 HE ARG 48 HE ARG 48 -11.713 -5.075 7.169 376 1HH1 ARG 48 HH11 ARG 48 -10.764 -2.331 5.259 377 2HH1 ARG 48 HH12 ARG 48 -11.741 -1.226 6.159 378 1HH2 ARG 48 HH21 ARG 48 -12.970 -3.630 8.328 379 2HH2 ARG 48 HH22 ARG 48 -12.978 -1.953 7.897 380 H ASP 49 HN ASP 49 -8.258 -1.709 8.143 381 HA ASP 49 HA ASP 49 -7.539 0.983 7.347 382 1HB ASP 49 HB2 ASP 49 -8.846 1.606 9.251 383 2HB ASP 49 HB1 ASP 49 -9.591 0.134 8.630 384 H GLN 50 HN GLN 50 -6.208 -1.326 9.694 385 HA GLN 50 HA GLN 50 -4.523 0.522 11.099 386 1HB GLN 50 HB2 GLN 50 -4.458 -2.453 10.586 387 2HB GLN 50 HB1 GLN 50 -3.282 -1.653 11.633 388 1HG GLN 50 HG2 GLN 50 -6.298 -1.622 11.965 389 2HG GLN 50 HG1 GLN 50 -5.139 -2.478 12.988 390 1HE2 GLN 50 HE21 GLN 50 -7.025 0.160 13.154 391 2HE2 GLN 50 HE22 GLN 50 -6.026 1.213 14.034 392 H ILE 51 HN ILE 51 -4.058 -1.275 8.066 393 HA ILE 51 HA ILE 51 -1.240 -0.844 7.816 394 HB ILE 51 HB ILE 51 -3.340 -0.951 5.624 395 1HG1 ILE 51 HG12 ILE 51 -3.865 -2.942 6.658 396 2HG1 ILE 51 HG11 ILE 51 -2.458 -3.486 5.756 397 1HG2 ILE 51 HG21 ILE 51 -0.594 -0.602 5.494 398 2HG2 ILE 51 HG22 ILE 51 -1.615 -1.197 4.185 399 3HG2 ILE 51 HG23 ILE 51 -0.792 -2.336 5.249 400 1HD1 ILE 51 HD11 ILE 51 -1.111 -2.747 7.868 401 2HD1 ILE 51 HD12 ILE 51 -2.002 -4.268 7.923 402 3HD1 ILE 51 HD13 ILE 51 -2.673 -2.825 8.683 403 H ASP 52 HN ASP 52 -0.252 1.117 7.753 404 HA ASP 52 HA ASP 52 -1.774 3.550 7.113 405 1HB ASP 52 HB2 ASP 52 0.985 2.859 8.117 406 2HB ASP 52 HB1 ASP 52 0.598 4.510 7.626 407 H CYS 53 HN CYS 53 0.566 1.450 5.520 408 HA CYS 53 HA CYS 53 0.130 2.872 2.993 409 1HB CYS 53 HB2 CYS 53 1.949 4.000 4.619 410 2HB CYS 53 HB1 CYS 53 2.987 2.794 3.857 411 HG CYS 53 HG CYS 53 1.835 5.276 2.487 412 H LEU 54 HN LEU 54 0.357 1.399 1.324 413 HA LEU 54 HA LEU 54 1.695 -1.192 2.029 414 1HB LEU 54 HB2 LEU 54 -0.689 -1.257 1.439 415 2HB LEU 54 HB1 LEU 54 -0.343 -0.442 -0.088 416 HG LEU 54 HG LEU 54 1.314 -2.394 -0.502 417 1HD1 LEU 54 HD11 LEU 54 -0.534 -3.780 1.445 418 2HD1 LEU 54 HD12 LEU 54 1.050 -3.167 1.919 419 3HD1 LEU 54 HD13 LEU 54 0.920 -4.425 0.687 420 1HD2 LEU 54 HD21 LEU 54 -1.696 -2.685 -0.526 421 2HD2 LEU 54 HD22 LEU 54 -0.619 -3.857 -1.284 422 3HD2 LEU 54 HD23 LEU 54 -0.652 -2.188 -1.854 423 H ILE 55 HN ILE 55 3.475 -1.870 0.832 424 HA ILE 55 HA ILE 55 4.341 -0.065 -1.398 425 HB ILE 55 HB ILE 55 5.825 -2.255 0.091 426 1HG1 ILE 55 HG12 ILE 55 6.133 0.734 0.411 427 2HG1 ILE 55 HG11 ILE 55 5.119 -0.246 1.478 428 1HG2 ILE 55 HG21 ILE 55 7.143 -2.010 -1.760 429 2HG2 ILE 55 HG22 ILE 55 7.703 -0.566 -0.913 430 3HG2 ILE 55 HG23 ILE 55 6.461 -0.431 -2.159 431 1HD1 ILE 55 HD11 ILE 55 7.788 0.174 1.875 432 2HD1 ILE 55 HD12 ILE 55 7.804 -1.347 0.987 433 3HD1 ILE 55 HD13 ILE 55 6.901 -1.214 2.495 434 H LEU 56 HN LEU 56 3.893 -0.836 -3.412 435 HA LEU 56 HA LEU 56 3.700 -3.808 -3.734 436 1HB LEU 56 HB2 LEU 56 2.081 -1.497 -4.792 437 2HB LEU 56 HB1 LEU 56 2.070 -3.057 -5.609 438 HG LEU 56 HG LEU 56 1.316 -2.527 -2.723 439 1HD1 LEU 56 HD11 LEU 56 -0.147 -2.889 -5.268 440 2HD1 LEU 56 HD12 LEU 56 -0.645 -2.065 -3.791 441 3HD1 LEU 56 HD13 LEU 56 -0.769 -3.820 -3.905 442 1HD2 LEU 56 HD21 LEU 56 2.234 -4.648 -2.553 443 2HD2 LEU 56 HD22 LEU 56 1.926 -5.030 -4.245 444 3HD2 LEU 56 HD23 LEU 56 0.606 -5.070 -3.080 445 H VAL 57 HN VAL 57 4.681 -4.676 -5.566 446 HA VAL 57 HA VAL 57 6.433 -2.787 -7.099 447 HB VAL 57 HB VAL 57 6.591 -5.767 -6.496 448 1HG1 VAL 57 HG11 VAL 57 8.914 -5.411 -7.624 449 2HG1 VAL 57 HG12 VAL 57 8.161 -4.001 -8.368 450 3HG1 VAL 57 HG13 VAL 57 7.504 -5.610 -8.662 451 1HG2 VAL 57 HG21 VAL 57 7.273 -4.352 -4.631 452 2HG2 VAL 57 HG22 VAL 57 8.265 -3.363 -5.703 453 3HG2 VAL 57 HG23 VAL 57 8.720 -5.036 -5.373 454 H ALA 58 HN ALA 58 5.280 -2.241 -8.913 455 HA ALA 58 HA ALA 58 3.267 -3.862 -10.151 456 1HB ALA 58 HB1 ALA 58 3.006 -1.689 -10.738 457 2HB ALA 58 HB2 ALA 58 4.110 -2.087 -12.057 458 3HB ALA 58 HB3 ALA 58 4.725 -1.342 -10.578 459 H ALA 59 HN ALA 59 6.661 -4.147 -10.244 460 HA ALA 59 HA ALA 59 7.040 -5.009 -12.963 461 1HB ALA 59 HB1 ALA 59 8.575 -5.827 -10.479 462 2HB ALA 59 HB2 ALA 59 8.744 -4.243 -11.240 463 3HB ALA 59 HB3 ALA 59 9.192 -5.701 -12.125 464 H ASN 60 HN ASN 60 5.333 -6.486 -10.420 465 HA ASN 60 HA ASN 60 5.969 -9.268 -11.153 466 1HB ASN 60 HB2 ASN 60 4.313 -7.780 -9.165 467 2HB ASN 60 HB1 ASN 60 3.828 -9.436 -9.534 468 1HD2 ASN 60 HD21 ASN 60 5.188 -8.224 -7.049 469 2HD2 ASN 60 HD22 ASN 60 6.560 -9.196 -6.817 470 HA PRO 61 HA PRO 61 2.810 -9.725 -14.157 471 1HB PRO 61 HB2 PRO 61 2.114 -12.343 -13.795 472 2HB PRO 61 HB1 PRO 61 3.633 -11.832 -14.550 473 1HG PRO 61 HG2 PRO 61 3.132 -12.836 -11.809 474 2HG PRO 61 HG1 PRO 61 4.541 -13.059 -12.857 475 1HD PRO 61 HD2 PRO 61 4.410 -11.281 -10.748 476 2HD PRO 61 HD1 PRO 61 5.543 -11.160 -12.110 477 H SER 62 HN SER 62 1.442 -12.021 -11.836 478 HA SER 62 HA SER 62 -1.205 -10.945 -12.085 479 1HB SER 62 HB2 SER 62 -1.557 -12.510 -10.088 480 2HB SER 62 HB1 SER 62 -0.897 -13.242 -11.550 481 HG SER 62 HG SER 62 0.466 -12.426 -9.199 482 H PHE 63 HN PHE 63 1.340 -9.490 -10.505 483 HA PHE 63 HA PHE 63 0.569 -8.834 -7.936 484 1HB PHE 63 HB2 PHE 63 2.548 -7.837 -8.642 485 2HB PHE 63 HB1 PHE 63 1.878 -7.369 -10.206 486 HD1 PHE 63 HD1 PHE 63 1.222 -6.738 -6.569 487 HD2 PHE 63 HD2 PHE 63 1.473 -5.097 -10.524 488 HE1 PHE 63 HE1 PHE 63 0.659 -4.513 -5.675 489 HE2 PHE 63 HE2 PHE 63 0.915 -2.857 -9.631 490 HZ PHE 63 HZ PHE 63 0.500 -2.561 -7.201 491 H ARG 64 HN ARG 64 -0.626 -7.252 -10.929 492 HA ARG 64 HA ARG 64 -2.427 -5.421 -9.759 493 1HB ARG 64 HB2 ARG 64 -2.275 -6.993 -12.313 494 2HB ARG 64 HB1 ARG 64 -3.747 -6.085 -11.978 495 1HG ARG 64 HG2 ARG 64 -2.328 -4.609 -13.214 496 2HG ARG 64 HG1 ARG 64 -2.255 -4.066 -11.537 497 1HD ARG 64 HD2 ARG 64 0.017 -4.125 -12.360 498 2HD ARG 64 HD1 ARG 64 -0.170 -5.528 -11.296 499 HE ARG 64 HE ARG 64 -0.951 -6.456 -13.802 500 1HH1 ARG 64 HH11 ARG 64 1.829 -4.912 -12.448 501 2HH1 ARG 64 HH12 ARG 64 2.945 -5.694 -13.516 502 1HH2 ARG 64 HH21 ARG 64 0.493 -7.475 -15.208 503 2HH2 ARG 64 HH22 ARG 64 2.189 -7.142 -15.085 504 H ALA 65 HN ALA 65 -2.851 -8.870 -10.518 505 HA ALA 65 HA ALA 65 -5.609 -9.122 -9.800 506 1HB ALA 65 HB1 ALA 65 -3.822 -10.698 -10.953 507 2HB ALA 65 HB2 ALA 65 -5.163 -11.405 -10.051 508 3HB ALA 65 HB3 ALA 65 -3.569 -11.275 -9.305 509 H VAL 66 HN VAL 66 -2.637 -9.539 -7.861 510 HA VAL 66 HA VAL 66 -3.912 -10.302 -5.412 511 HB VAL 66 HB VAL 66 -1.322 -8.921 -6.129 512 1HG1 VAL 66 HG11 VAL 66 -2.456 -9.657 -3.458 513 2HG1 VAL 66 HG12 VAL 66 -1.415 -8.301 -3.896 514 3HG1 VAL 66 HG13 VAL 66 -0.732 -9.919 -3.732 515 1HG2 VAL 66 HG21 VAL 66 -2.161 -11.743 -5.490 516 2HG2 VAL 66 HG22 VAL 66 -0.474 -11.245 -5.418 517 3HG2 VAL 66 HG23 VAL 66 -1.353 -11.151 -6.944 518 H VAL 67 HN VAL 67 -3.099 -7.149 -6.830 519 HA VAL 67 HA VAL 67 -3.789 -5.535 -4.553 520 HB VAL 67 HB VAL 67 -3.954 -4.932 -7.524 521 1HG1 VAL 67 HG11 VAL 67 -3.133 -2.670 -6.117 522 2HG1 VAL 67 HG12 VAL 67 -4.387 -3.374 -5.092 523 3HG1 VAL 67 HG13 VAL 67 -4.746 -2.961 -6.769 524 1HG2 VAL 67 HG21 VAL 67 -1.610 -3.865 -6.327 525 2HG2 VAL 67 HG22 VAL 67 -1.711 -5.137 -7.544 526 3HG2 VAL 67 HG23 VAL 67 -1.709 -5.556 -5.832 527 H GLN 68 HN GLN 68 -5.671 -6.467 -7.474 528 HA GLN 68 HA GLN 68 -8.075 -5.163 -6.785 529 1HB GLN 68 HB2 GLN 68 -9.018 -6.513 -8.475 530 2HB GLN 68 HB1 GLN 68 -7.313 -6.481 -8.901 531 1HG GLN 68 HG2 GLN 68 -7.102 -8.708 -8.612 532 2HG GLN 68 HG1 GLN 68 -7.962 -8.683 -7.078 533 1HE2 GLN 68 HE21 GLN 68 -9.808 -9.953 -7.193 534 2HE2 GLN 68 HE22 GLN 68 -10.818 -10.092 -8.549 535 H GLN 69 HN GLN 69 -6.618 -8.103 -5.524 536 HA GLN 69 HA GLN 69 -8.933 -9.142 -4.166 537 1HB GLN 69 HB2 GLN 69 -6.698 -10.276 -4.619 538 2HB GLN 69 HB1 GLN 69 -6.020 -9.297 -3.316 539 1HG GLN 69 HG2 GLN 69 -6.772 -10.812 -1.830 540 2HG GLN 69 HG1 GLN 69 -8.422 -10.428 -2.316 541 1HE2 GLN 69 HE21 GLN 69 -9.576 -12.140 -3.226 542 2HE2 GLN 69 HE22 GLN 69 -8.876 -13.531 -3.901 543 H LEU 70 HN LEU 70 -6.234 -7.045 -3.025 544 HA LEU 70 HA LEU 70 -7.159 -6.536 -0.400 545 1HB LEU 70 HB2 LEU 70 -5.565 -5.101 -2.488 546 2HB LEU 70 HB1 LEU 70 -6.076 -4.168 -1.083 547 HG LEU 70 HG LEU 70 -5.056 -6.749 -0.256 548 1HD1 LEU 70 HD11 LEU 70 -2.684 -5.389 -1.063 549 2HD1 LEU 70 HD12 LEU 70 -3.708 -5.568 -2.488 550 3HD1 LEU 70 HD13 LEU 70 -3.242 -6.991 -1.558 551 1HD2 LEU 70 HD21 LEU 70 -4.864 -5.250 1.449 552 2HD2 LEU 70 HD22 LEU 70 -4.800 -3.872 0.346 553 3HD2 LEU 70 HD23 LEU 70 -3.342 -4.812 0.675 554 H CYS 71 HN CYS 71 -7.869 -4.796 -3.423 555 HA CYS 71 HA CYS 71 -9.780 -2.937 -2.430 556 1HB CYS 71 HB2 CYS 71 -9.566 -4.389 -5.095 557 2HB CYS 71 HB1 CYS 71 -10.453 -2.888 -4.830 558 HG CYS 71 HG CYS 71 -8.243 -1.916 -5.490 559 H PHE 72 HN PHE 72 -10.064 -6.276 -3.575 560 HA PHE 72 HA PHE 72 -12.913 -6.481 -3.548 561 1HB PHE 72 HB2 PHE 72 -11.273 -7.992 -4.654 562 2HB PHE 72 HB1 PHE 72 -10.765 -8.572 -3.067 563 HD1 PHE 72 HD1 PHE 72 -14.185 -7.699 -4.274 564 HD2 PHE 72 HD2 PHE 72 -11.509 -10.805 -2.996 565 HE1 PHE 72 HE1 PHE 72 -16.069 -9.317 -4.259 566 HE2 PHE 72 HE2 PHE 72 -13.385 -12.421 -2.979 567 HZ PHE 72 HZ PHE 72 -15.665 -11.680 -3.615 568 H GLU 73 HN GLU 73 -10.478 -6.862 -0.989 569 HA GLU 73 HA GLU 73 -12.475 -7.844 0.951 570 1HB GLU 73 HB2 GLU 73 -9.564 -6.987 1.159 571 2HB GLU 73 HB1 GLU 73 -10.478 -7.750 2.462 572 1HG GLU 73 HG2 GLU 73 -10.469 -9.115 -0.189 573 2HG GLU 73 HG1 GLU 73 -8.989 -9.185 0.766 574 H GLY 74 HN GLY 74 -11.691 -4.866 -0.364 575 1HA GLY 74 HA2 GLY 74 -12.604 -2.765 0.245 576 2HA GLY 74 HA1 GLY 74 -13.083 -3.451 1.799 577 H VAL 75 HN VAL 75 -9.843 -4.131 0.905 578 HA VAL 75 HA VAL 75 -8.873 -2.371 3.075 579 HB VAL 75 HB VAL 75 -7.524 -4.403 1.269 580 1HG1 VAL 75 HG11 VAL 75 -5.614 -3.543 2.110 581 2HG1 VAL 75 HG12 VAL 75 -6.126 -4.178 3.673 582 3HG1 VAL 75 HG13 VAL 75 -6.502 -2.513 3.237 583 1HG2 VAL 75 HG21 VAL 75 -8.397 -5.982 2.615 584 2HG2 VAL 75 HG22 VAL 75 -9.347 -4.733 3.419 585 3HG2 VAL 75 HG23 VAL 75 -7.752 -5.160 4.039 586 H VAL 76 HN VAL 76 -8.801 -0.230 2.248 587 HA VAL 76 HA VAL 76 -7.158 0.149 -0.232 588 HB VAL 76 HB VAL 76 -9.064 2.142 1.024 589 1HG1 VAL 76 HG11 VAL 76 -8.263 3.428 -0.653 590 2HG1 VAL 76 HG12 VAL 76 -8.977 2.297 -1.803 591 3HG1 VAL 76 HG13 VAL 76 -7.307 2.083 -1.277 592 1HG2 VAL 76 HG21 VAL 76 -10.683 1.314 -0.764 593 2HG2 VAL 76 HG22 VAL 76 -10.436 0.216 0.594 594 3HG2 VAL 76 HG23 VAL 76 -9.633 -0.090 -0.945 595 H VAL 77 HN VAL 77 -5.264 1.279 0.003 596 HA VAL 77 HA VAL 77 -4.841 2.971 2.417 597 HB VAL 77 HB VAL 77 -2.657 1.629 2.728 598 1HG1 VAL 77 HG11 VAL 77 -3.831 -0.157 3.993 599 2HG1 VAL 77 HG12 VAL 77 -5.335 0.293 3.189 600 3HG1 VAL 77 HG13 VAL 77 -4.542 1.433 4.275 601 1HG2 VAL 77 HG21 VAL 77 -2.380 -0.389 1.617 602 2HG2 VAL 77 HG22 VAL 77 -3.237 0.519 0.371 603 3HG2 VAL 77 HG23 VAL 77 -4.115 -0.620 1.392 604 HA PRO 78 HA PRO 78 -2.302 5.192 -0.418 605 1HB PRO 78 HB2 PRO 78 -0.151 5.923 1.113 606 2HB PRO 78 HB1 PRO 78 -1.744 6.689 1.276 607 1HG PRO 78 HG2 PRO 78 -0.481 4.576 2.932 608 2HG PRO 78 HG1 PRO 78 -1.464 5.957 3.438 609 1HD PRO 78 HD2 PRO 78 -2.447 3.428 3.279 610 2HD PRO 78 HD1 PRO 78 -3.448 4.872 3.001 611 H ALA 79 HN ALA 79 -1.763 3.322 -1.704 612 HA ALA 79 HA ALA 79 0.565 1.706 -0.869 613 1HB ALA 79 HB1 ALA 79 -1.877 1.378 -2.278 614 2HB ALA 79 HB2 ALA 79 -0.687 0.138 -1.878 615 3HB ALA 79 HB3 ALA 79 -0.575 1.014 -3.405 616 H ILE 80 HN ILE 80 2.573 2.188 -1.613 617 HA ILE 80 HA ILE 80 2.891 4.022 -3.924 618 HB ILE 80 HB ILE 80 4.957 2.802 -2.056 619 1HG1 ILE 80 HG12 ILE 80 3.522 5.454 -1.724 620 2HG1 ILE 80 HG11 ILE 80 3.044 3.990 -0.870 621 1HG2 ILE 80 HG21 ILE 80 6.440 4.274 -2.968 622 2HG2 ILE 80 HG22 ILE 80 5.230 5.546 -3.130 623 3HG2 ILE 80 HG23 ILE 80 5.322 4.259 -4.333 624 1HD1 ILE 80 HD11 ILE 80 4.866 4.041 0.519 625 2HD1 ILE 80 HD12 ILE 80 4.809 5.764 0.146 626 3HD1 ILE 80 HD13 ILE 80 5.923 4.711 -0.726 627 H VAL 81 HN VAL 81 3.084 3.034 -5.916 628 HA VAL 81 HA VAL 81 3.846 0.171 -6.018 629 HB VAL 81 HB VAL 81 2.846 2.128 -8.110 630 1HG1 VAL 81 HG11 VAL 81 4.054 -0.360 -8.459 631 2HG1 VAL 81 HG12 VAL 81 3.020 0.459 -9.627 632 3HG1 VAL 81 HG13 VAL 81 2.326 -0.719 -8.513 633 1HG2 VAL 81 HG21 VAL 81 0.669 1.036 -7.744 634 2HG2 VAL 81 HG22 VAL 81 1.256 1.740 -6.238 635 3HG2 VAL 81 HG23 VAL 81 1.378 0.001 -6.508 636 H VAL 82 HN VAL 82 5.561 -0.594 -7.328 637 HA VAL 82 HA VAL 82 7.576 1.467 -8.163 638 HB VAL 82 HB VAL 82 8.137 -1.300 -7.076 639 1HG1 VAL 82 HG11 VAL 82 10.309 -0.731 -7.295 640 2HG1 VAL 82 HG12 VAL 82 10.043 0.854 -6.568 641 3HG1 VAL 82 HG13 VAL 82 9.750 0.612 -8.291 642 1HG2 VAL 82 HG21 VAL 82 8.719 0.114 -4.946 643 2HG2 VAL 82 HG22 VAL 82 7.042 -0.356 -5.235 644 3HG2 VAL 82 HG23 VAL 82 7.585 1.277 -5.627 645 H GLY 83 HN GLY 83 8.717 0.956 -10.125 646 1HA GLY 83 HA2 GLY 83 9.351 -0.902 -11.708 647 2HA GLY 83 HA1 GLY 83 7.681 -1.442 -11.585 648 H ASP 84 HN ASP 84 6.986 -1.165 -13.682 649 HA ASP 84 HA ASP 84 6.281 -0.023 -15.624 650 1HB ASP 84 HB2 ASP 84 5.433 1.406 -13.566 651 2HB ASP 84 HB1 ASP 84 6.651 2.557 -14.126 652 H ARG 85 HN ARG 85 8.788 -0.737 -15.971 653 HA ARG 85 HA ARG 85 10.986 0.897 -16.039 654 1HB ARG 85 HB2 ARG 85 9.896 -0.816 -18.296 655 2HB ARG 85 HB1 ARG 85 11.566 -0.264 -18.175 656 1HG ARG 85 HG2 ARG 85 10.182 -1.918 -16.044 657 2HG ARG 85 HG1 ARG 85 11.205 -2.599 -17.307 658 1HD ARG 85 HD2 ARG 85 13.056 -1.043 -16.503 659 2HD ARG 85 HD1 ARG 85 12.028 -0.680 -15.103 660 HE ARG 85 HE ARG 85 12.388 -2.890 -14.312 661 1HH1 ARG 85 HH11 ARG 85 13.394 -2.495 -17.593 662 2HH1 ARG 85 HH12 ARG 85 14.194 -4.027 -17.668 663 1HH2 ARG 85 HH21 ARG 85 13.438 -4.883 -14.400 664 2HH2 ARG 85 HH22 ARG 85 14.219 -5.378 -15.864 665 H ASP 86 HN ASP 86 11.867 2.417 -17.577 666 HA ASP 86 HA ASP 86 10.084 4.497 -18.383 667 1HB ASP 86 HB2 ASP 86 12.586 4.511 -17.812 668 2HB ASP 86 HB1 ASP 86 12.854 3.948 -19.462 669 H SER 87 HN SER 87 11.134 1.596 -20.020 670 HA SER 87 HA SER 87 10.996 2.156 -22.730 671 1HB SER 87 HB2 SER 87 10.634 -0.134 -22.923 672 2HB SER 87 HB1 SER 87 11.126 -0.048 -21.233 673 HG SER 87 HG SER 87 9.005 -1.134 -21.959 674 H GLU 88 HN GLU 88 9.054 1.707 -24.240 675 HA GLU 88 HA GLU 88 6.896 3.519 -23.607 676 1HB GLU 88 HB2 GLU 88 6.170 2.970 -25.809 677 2HB GLU 88 HB1 GLU 88 7.923 2.787 -25.880 678 1HG GLU 88 HG2 GLU 88 7.407 0.305 -25.184 679 2HG GLU 88 HG1 GLU 88 5.797 0.663 -25.808 680 H ASP 89 HN ASP 89 7.386 0.057 -23.320 681 HA ASP 89 HA ASP 89 5.910 -1.685 -22.682 682 1HB ASP 89 HB2 ASP 89 4.895 -1.072 -20.442 683 2HB ASP 89 HB1 ASP 89 6.625 -0.761 -20.574 684 HA PRO 90 HA PRO 90 2.115 -0.002 -24.553 685 1HB PRO 90 HB2 PRO 90 2.104 -1.681 -26.712 686 2HB PRO 90 HB1 PRO 90 3.003 -0.151 -26.682 687 1HG PRO 90 HG2 PRO 90 4.002 -2.900 -26.564 688 2HG PRO 90 HG1 PRO 90 4.844 -1.410 -27.003 689 1HD PRO 90 HD2 PRO 90 4.947 -2.821 -24.517 690 2HD PRO 90 HD1 PRO 90 5.784 -1.319 -24.960 691 H ASP 91 HN ASP 91 2.868 -3.464 -24.998 692 HA ASP 91 HA ASP 91 0.214 -4.399 -24.463 693 1HB ASP 91 HB2 ASP 91 2.930 -5.735 -24.261 694 2HB ASP 91 HB1 ASP 91 1.388 -6.590 -24.317 695 H GLU 92 HN GLU 92 2.544 -3.151 -22.282 696 HA GLU 92 HA GLU 92 2.078 -4.863 -20.008 697 1HB GLU 92 HB2 GLU 92 2.964 -1.974 -20.307 698 2HB GLU 92 HB1 GLU 92 3.040 -2.873 -18.791 699 1HG GLU 92 HG2 GLU 92 4.268 -4.626 -20.479 700 2HG GLU 92 HG1 GLU 92 4.747 -3.086 -21.196 701 HA PRO 93 HA PRO 93 -1.954 -3.238 -19.018 702 1HB PRO 93 HB2 PRO 93 -2.413 -4.854 -16.871 703 2HB PRO 93 HB1 PRO 93 -2.536 -5.430 -18.544 704 1HG PRO 93 HG2 PRO 93 -0.420 -5.898 -16.542 705 2HG PRO 93 HG1 PRO 93 -0.946 -6.911 -17.892 706 1HD PRO 93 HD2 PRO 93 1.336 -5.280 -17.825 707 2HD PRO 93 HD1 PRO 93 0.629 -6.050 -19.260 708 H ALA 94 HN ALA 94 0.641 -2.092 -17.880 709 HA ALA 94 HA ALA 94 -0.190 -1.403 -15.116 710 1HB ALA 94 HB1 ALA 94 2.045 -1.498 -14.832 711 2HB ALA 94 HB2 ALA 94 2.269 -0.226 -16.032 712 3HB ALA 94 HB3 ALA 94 2.214 -1.913 -16.539 713 H LYS 95 HN LYS 95 -1.620 -0.282 -17.511 714 HA LYS 95 HA LYS 95 -0.765 2.353 -18.146 715 1HB LYS 95 HB2 LYS 95 -2.609 0.943 -19.193 716 2HB LYS 95 HB1 LYS 95 -3.624 1.392 -17.821 717 1HG LYS 95 HG2 LYS 95 -3.277 3.786 -18.364 718 2HG LYS 95 HG1 LYS 95 -2.309 3.317 -19.761 719 1HD LYS 95 HD2 LYS 95 -4.272 2.074 -20.662 720 2HD LYS 95 HD1 LYS 95 -5.232 2.664 -19.305 721 1HE LYS 95 HE2 LYS 95 -5.729 4.394 -20.729 722 2HE LYS 95 HE1 LYS 95 -4.132 5.003 -20.250 723 1HZ LYS 95 HZ1 LYS 95 -4.827 3.357 -22.614 724 2HZ LYS 95 HZ2 LYS 95 -3.232 3.474 -22.039 725 3HZ LYS 95 HZ3 LYS 95 -4.049 4.864 -22.578 726 H GLU 96 HN GLU 96 -3.250 1.392 -15.727 727 HA GLU 96 HA GLU 96 -2.279 3.192 -13.707 728 1HB GLU 96 HB2 GLU 96 -4.005 4.954 -14.001 729 2HB GLU 96 HB1 GLU 96 -2.954 4.833 -15.413 730 1HG GLU 96 HG2 GLU 96 -4.713 3.208 -16.365 731 2HG GLU 96 HG1 GLU 96 -5.778 3.819 -15.098 732 H GLN 97 HN GLN 97 -3.339 0.510 -13.749 733 HA GLN 97 HA GLN 97 -5.730 0.900 -11.985 734 1HB GLN 97 HB2 GLN 97 -6.154 0.031 -14.388 735 2HB GLN 97 HB1 GLN 97 -5.354 -1.449 -13.851 736 1HG GLN 97 HG2 GLN 97 -6.969 -1.573 -11.945 737 2HG GLN 97 HG1 GLN 97 -7.816 -0.184 -12.623 738 1HE2 GLN 97 HE21 GLN 97 -9.665 -1.869 -12.740 739 2HE2 GLN 97 HE22 GLN 97 -9.738 -2.844 -14.128 740 H LEU 98 HN LEU 98 -2.815 0.509 -11.456 741 HA LEU 98 HA LEU 98 -2.294 -2.187 -10.637 742 1HB LEU 98 HB2 LEU 98 -1.209 0.485 -9.687 743 2HB LEU 98 HB1 LEU 98 -0.441 -1.081 -9.418 744 HG LEU 98 HG LEU 98 -0.999 0.206 -12.106 745 1HD1 LEU 98 HD11 LEU 98 1.134 0.499 -10.294 746 2HD1 LEU 98 HD12 LEU 98 1.105 0.995 -11.987 747 3HD1 LEU 98 HD13 LEU 98 1.724 -0.597 -11.547 748 1HD2 LEU 98 HD21 LEU 98 -0.310 -2.560 -11.260 749 2HD2 LEU 98 HD22 LEU 98 0.607 -1.915 -12.624 750 3HD2 LEU 98 HD23 LEU 98 -1.154 -2.005 -12.704 751 H TYR 99 HN TYR 99 -3.799 0.594 -9.105 752 HA TYR 99 HA TYR 99 -4.908 -1.159 -7.022 753 1HB TYR 99 HB2 TYR 99 -2.496 -0.224 -6.509 754 2HB TYR 99 HB1 TYR 99 -3.358 1.271 -6.163 755 HD1 TYR 99 HD1 TYR 99 -1.758 -0.270 -4.125 756 HD2 TYR 99 HD2 TYR 99 -5.906 -0.506 -5.229 757 HE1 TYR 99 HE1 TYR 99 -2.315 -1.085 -1.855 758 HE2 TYR 99 HE2 TYR 99 -6.458 -1.328 -2.951 759 HH TYR 99 HH TYR 99 -4.627 -0.978 -0.385 760 H HIS 100 HN HIS 100 -5.230 1.553 -5.471 761 HA HIS 100 HA HIS 100 -7.757 2.275 -6.817 762 1HB HIS 100 HB2 HIS 100 -7.984 3.731 -4.761 763 2HB HIS 100 HB1 HIS 100 -7.766 2.023 -4.427 764 HD2 HIS 100 HD2 HIS 100 -5.176 1.336 -3.328 765 HE1 HIS 100 HE1 HIS 100 -4.100 5.326 -2.471 766 HE2 HIS 100 HE2 HIS 100 -3.535 2.907 -2.102 767 H SER 101 HN SER 101 -8.139 4.865 -6.682 768 HA SER 101 HA SER 101 -6.206 5.997 -8.571 769 1HB SER 101 HB2 SER 101 -8.792 6.148 -8.480 770 2HB SER 101 HB1 SER 101 -8.537 7.402 -7.271 771 HG SER 101 HG SER 101 -8.364 8.607 -9.003 772 H ALA 102 HN ALA 102 -5.640 5.630 -5.488 773 HA ALA 102 HA ALA 102 -4.630 8.429 -5.095 774 1HB ALA 102 HB1 ALA 102 -6.319 6.770 -3.487 775 2HB ALA 102 HB2 ALA 102 -5.759 8.404 -3.148 776 3HB ALA 102 HB3 ALA 102 -4.806 7.018 -2.624 777 H GLU 103 HN GLU 103 -3.913 4.996 -5.049 778 HA GLU 103 HA GLU 103 -1.564 4.720 -3.625 779 1HB GLU 103 HB2 GLU 103 -1.006 3.027 -5.312 780 2HB GLU 103 HB1 GLU 103 -2.747 3.020 -5.026 781 1HG GLU 103 HG2 GLU 103 -3.174 4.269 -7.026 782 2HG GLU 103 HG1 GLU 103 -1.460 4.629 -7.240 783 H LEU 104 HN LEU 104 0.653 5.194 -4.012 784 HA LEU 104 HA LEU 104 1.144 7.382 -5.986 785 1HB LEU 104 HB2 LEU 104 2.100 6.584 -3.306 786 2HB LEU 104 HB1 LEU 104 3.364 7.175 -4.385 787 HG LEU 104 HG LEU 104 1.971 9.190 -4.854 788 1HD1 LEU 104 HD11 LEU 104 -0.005 9.638 -3.538 789 2HD1 LEU 104 HD12 LEU 104 0.244 8.181 -2.577 790 3HD1 LEU 104 HD13 LEU 104 -0.207 8.046 -4.275 791 1HD2 LEU 104 HD21 LEU 104 3.077 8.455 -2.199 792 2HD2 LEU 104 HD22 LEU 104 2.037 9.878 -2.220 793 3HD2 LEU 104 HD23 LEU 104 3.470 9.823 -3.245 794 H HIS 105 HN HIS 105 3.275 7.299 -7.123 795 HA HIS 105 HA HIS 105 4.065 4.473 -7.763 796 1HB HIS 105 HB2 HIS 105 4.061 6.997 -9.443 797 2HB HIS 105 HB1 HIS 105 4.563 5.403 -10.008 798 HD1 HIS 105 HD1 HIS 105 2.102 6.976 -11.215 799 HD2 HIS 105 HD2 HIS 105 1.849 3.992 -8.314 800 HE1 HIS 105 HE1 HIS 105 -0.245 6.034 -11.359 801 H LEU 106 HN LEU 106 6.321 4.059 -7.964 802 HA LEU 106 HA LEU 106 8.165 6.327 -7.324 803 1HB LEU 106 HB2 LEU 106 7.612 5.110 -5.262 804 2HB LEU 106 HB1 LEU 106 8.067 3.587 -6.031 805 HG LEU 106 HG LEU 106 10.367 4.436 -6.345 806 1HD1 LEU 106 HD11 LEU 106 10.660 6.675 -6.323 807 2HD1 LEU 106 HD12 LEU 106 10.452 6.615 -4.575 808 3HD1 LEU 106 HD13 LEU 106 9.063 6.927 -5.614 809 1HD2 LEU 106 HD21 LEU 106 9.211 4.525 -3.548 810 2HD2 LEU 106 HD22 LEU 106 10.945 4.591 -3.863 811 3HD2 LEU 106 HD23 LEU 106 10.017 3.170 -4.341 812 H GLY 107 HN GLY 107 10.383 5.922 -8.002 813 1HA GLY 107 HA2 GLY 107 10.518 4.236 -10.404 814 2HA GLY 107 HA1 GLY 107 11.781 5.329 -9.836 815 H ILE 108 HN ILE 108 11.685 2.339 -10.574 816 HA ILE 108 HA ILE 108 12.116 0.661 -8.374 817 HB ILE 108 HB ILE 108 13.354 0.843 -11.133 818 1HG1 ILE 108 HG12 ILE 108 10.786 0.710 -10.752 819 2HG1 ILE 108 HG11 ILE 108 11.515 -0.432 -11.878 820 1HG2 ILE 108 HG21 ILE 108 14.673 -0.815 -10.378 821 2HG2 ILE 108 HG22 ILE 108 13.218 -1.806 -10.480 822 3HG2 ILE 108 HG23 ILE 108 13.683 -1.072 -8.945 823 1HD1 ILE 108 HD11 ILE 108 11.382 -1.244 -9.014 824 2HD1 ILE 108 HD12 ILE 108 11.209 -2.227 -10.470 825 3HD1 ILE 108 HD13 ILE 108 9.867 -1.225 -9.916 826 H HIS 109 HN HIS 109 14.471 2.683 -10.143 827 HA HIS 109 HA HIS 109 16.633 1.975 -8.275 828 1HB HIS 109 HB2 HIS 109 17.979 3.271 -9.784 829 2HB HIS 109 HB1 HIS 109 16.820 2.396 -10.783 830 HD1 HIS 109 HD1 HIS 109 17.889 5.808 -9.835 831 HD2 HIS 109 HD2 HIS 109 14.625 4.066 -11.754 832 HE1 HIS 109 HE1 HIS 109 16.652 7.691 -10.993 833 H GLN 110 HN GLN 110 14.009 3.949 -8.024 834 HA GLN 110 HA GLN 110 15.448 6.135 -6.590 835 1HB GLN 110 HB2 GLN 110 12.588 5.781 -7.559 836 2HB GLN 110 HB1 GLN 110 13.191 7.222 -6.739 837 1HG GLN 110 HG2 GLN 110 14.760 7.671 -8.526 838 2HG GLN 110 HG1 GLN 110 14.393 6.128 -9.297 839 1HE2 GLN 110 HE21 GLN 110 12.217 8.675 -7.942 840 2HE2 GLN 110 HE22 GLN 110 11.331 8.886 -9.375 841 H LEU 111 HN LEU 111 14.976 3.296 -5.547 842 HA LEU 111 HA LEU 111 12.890 3.398 -3.564 843 1HB LEU 111 HB2 LEU 111 15.395 1.791 -4.055 844 2HB LEU 111 HB1 LEU 111 14.503 1.562 -2.556 845 HG LEU 111 HG LEU 111 13.991 0.320 -5.016 846 1HD1 LEU 111 HD11 LEU 111 12.918 -1.006 -3.564 847 2HD1 LEU 111 HD12 LEU 111 11.684 0.227 -3.302 848 3HD1 LEU 111 HD13 LEU 111 13.146 0.219 -2.317 849 1HD2 LEU 111 HD21 LEU 111 11.713 2.227 -4.390 850 2HD2 LEU 111 HD22 LEU 111 11.793 1.054 -5.703 851 3HD2 LEU 111 HD23 LEU 111 12.851 2.465 -5.718 852 H GLU 112 HN GLU 112 12.978 5.271 -2.438 853 HA GLU 112 HA GLU 112 14.580 5.456 -0.087 854 1HB GLU 112 HB2 GLU 112 16.164 7.171 -0.744 855 2HB GLU 112 HB1 GLU 112 16.280 5.889 -1.948 856 1HG GLU 112 HG2 GLU 112 14.596 7.159 -3.334 857 2HG GLU 112 HG1 GLU 112 14.764 8.493 -2.193 858 H GLN 113 HN GLN 113 12.563 6.936 -2.548 859 HA GLN 113 HA GLN 113 11.816 9.281 -0.924 860 1HB GLN 113 HB2 GLN 113 10.897 8.020 -3.516 861 2HB GLN 113 HB1 GLN 113 10.124 9.454 -2.850 862 1HG GLN 113 HG2 GLN 113 12.129 10.736 -3.028 863 2HG GLN 113 HG1 GLN 113 13.105 9.299 -3.338 864 1HE2 GLN 113 HE21 GLN 113 13.824 9.960 -5.451 865 2HE2 GLN 113 HE22 GLN 113 12.768 10.075 -6.774 866 H LEU 114 HN LEU 114 11.083 6.049 -0.732 867 HA LEU 114 HA LEU 114 8.323 5.773 -0.525 868 1HB LEU 114 HB2 LEU 114 10.687 4.596 0.897 869 2HB LEU 114 HB1 LEU 114 9.059 4.034 1.253 870 HG LEU 114 HG LEU 114 9.305 4.190 -1.581 871 1HD1 LEU 114 HD11 LEU 114 11.168 2.171 -1.338 872 2HD1 LEU 114 HD12 LEU 114 11.762 3.368 -0.187 873 3HD1 LEU 114 HD13 LEU 114 11.526 3.810 -1.879 874 1HD2 LEU 114 HD21 LEU 114 8.252 2.520 0.361 875 2HD2 LEU 114 HD22 LEU 114 9.514 1.530 -0.373 876 3HD2 LEU 114 HD23 LEU 114 8.231 2.209 -1.375 877 HA PRO 115 HA PRO 115 8.489 7.146 4.061 878 1HB PRO 115 HB2 PRO 115 10.453 8.937 4.753 879 2HB PRO 115 HB1 PRO 115 10.627 7.180 4.948 880 1HG PRO 115 HG2 PRO 115 11.661 8.954 2.788 881 2HG PRO 115 HG1 PRO 115 12.446 7.591 3.602 882 1HD PRO 115 HD2 PRO 115 11.349 7.384 1.151 883 2HD PRO 115 HD1 PRO 115 11.389 6.023 2.286 884 H TYR 116 HN TYR 116 10.073 9.704 2.102 885 HA TYR 116 HA TYR 116 8.235 11.770 2.827 886 1HB TYR 116 HB2 TYR 116 9.778 12.898 1.612 887 2HB TYR 116 HB1 TYR 116 10.519 11.361 1.181 888 HD1 TYR 116 HD1 TYR 116 10.757 10.923 -1.078 889 HD2 TYR 116 HD2 TYR 116 7.490 13.370 0.249 890 HE1 TYR 116 HE1 TYR 116 10.032 11.226 -3.432 891 HE2 TYR 116 HE2 TYR 116 6.764 13.677 -2.099 892 HH TYR 116 HH TYR 116 8.315 13.463 -4.544 893 H GLN 117 HN GLN 117 8.247 9.318 0.272 894 HA GLN 117 HA GLN 117 5.849 10.173 -1.082 895 1HB GLN 117 HB2 GLN 117 7.386 7.582 -0.804 896 2HB GLN 117 HB1 GLN 117 5.941 7.691 -1.806 897 1HG GLN 117 HG2 GLN 117 7.934 9.840 -2.229 898 2HG GLN 117 HG1 GLN 117 8.450 8.227 -2.719 899 1HE2 GLN 117 HE21 GLN 117 6.589 10.939 -3.688 900 2HE2 GLN 117 HE22 GLN 117 5.803 10.216 -5.008 901 H VAL 118 HN VAL 118 6.534 7.999 1.621 902 HA VAL 118 HA VAL 118 3.933 6.906 2.008 903 HB VAL 118 HB VAL 118 6.426 7.395 3.590 904 1HG1 VAL 118 HG11 VAL 118 4.739 8.025 5.245 905 2HG1 VAL 118 HG12 VAL 118 5.375 6.429 5.636 906 3HG1 VAL 118 HG13 VAL 118 3.795 6.584 4.871 907 1HG2 VAL 118 HG21 VAL 118 4.692 4.928 3.301 908 2HG2 VAL 118 HG22 VAL 118 6.381 4.998 3.799 909 3HG2 VAL 118 HG23 VAL 118 5.940 5.372 2.133 910 H ASP 119 HN ASP 119 5.457 9.833 3.380 911 HA ASP 119 HA ASP 119 3.189 10.710 4.899 912 1HB ASP 119 HB2 ASP 119 5.592 12.065 3.635 913 2HB ASP 119 HB1 ASP 119 4.458 12.937 4.665 914 H ALA 120 HN ALA 120 4.327 11.500 1.597 915 HA ALA 120 HA ALA 120 2.160 13.279 0.947 916 1HB ALA 120 HB1 ALA 120 4.068 13.405 -0.424 917 2HB ALA 120 HB2 ALA 120 2.949 12.496 -1.436 918 3HB ALA 120 HB3 ALA 120 4.210 11.647 -0.545 919 H ALA 121 HN ALA 121 2.693 9.785 0.522 920 HA ALA 121 HA ALA 121 0.344 9.181 -0.977 921 1HB ALA 121 HB1 ALA 121 1.727 7.487 1.131 922 2HB ALA 121 HB2 ALA 121 2.389 7.749 -0.481 923 3HB ALA 121 HB3 ALA 121 0.851 6.907 -0.284 924 H LEU 122 HN LEU 122 0.923 9.222 2.550 925 HA LEU 122 HA LEU 122 -1.616 8.339 3.419 926 1HB LEU 122 HB2 LEU 122 0.354 10.351 4.570 927 2HB LEU 122 HB1 LEU 122 -0.973 9.634 5.491 928 HG LEU 122 HG LEU 122 0.917 7.823 4.024 929 1HD1 LEU 122 HD11 LEU 122 1.736 8.152 6.763 930 2HD1 LEU 122 HD12 LEU 122 1.791 9.718 5.951 931 3HD1 LEU 122 HD13 LEU 122 2.694 8.352 5.295 932 1HD2 LEU 122 HD21 LEU 122 -1.301 7.492 5.662 933 2HD2 LEU 122 HD22 LEU 122 0.051 7.201 6.755 934 3HD2 LEU 122 HD23 LEU 122 -0.114 6.248 5.284 935 H ALA 123 HN ALA 123 -0.502 11.694 2.828 936 HA ALA 123 HA ALA 123 -3.063 12.920 3.335 937 1HB ALA 123 HB1 ALA 123 -1.988 14.859 2.298 938 2HB ALA 123 HB2 ALA 123 -0.769 13.823 1.556 939 3HB ALA 123 HB3 ALA 123 -0.800 14.027 3.307 940 H GLU 124 HN GLU 124 -1.374 12.000 0.324 941 HA GLU 124 HA GLU 124 -3.424 12.760 -1.496 942 1HB GLU 124 HB2 GLU 124 -1.044 12.164 -1.991 943 2HB GLU 124 HB1 GLU 124 -1.431 10.476 -1.652 944 1HG GLU 124 HG2 GLU 124 -2.557 10.200 -3.618 945 2HG GLU 124 HG1 GLU 124 -3.233 11.832 -3.578 946 H PHE 125 HN PHE 125 -2.922 9.783 0.387 947 HA PHE 125 HA PHE 125 -5.085 8.328 -0.918 948 1HB PHE 125 HB2 PHE 125 -3.222 7.161 0.061 949 2HB PHE 125 HB1 PHE 125 -3.451 7.980 1.607 950 HD1 PHE 125 HD1 PHE 125 -5.088 7.220 3.192 951 HD2 PHE 125 HD2 PHE 125 -4.914 5.515 -0.745 952 HE1 PHE 125 HE1 PHE 125 -6.659 5.433 3.895 953 HE2 PHE 125 HE2 PHE 125 -6.483 3.729 -0.044 954 HZ PHE 125 HZ PHE 125 -7.361 3.692 2.275 955 H LEU 126 HN LEU 126 -4.696 9.993 2.227 956 HA LEU 126 HA LEU 126 -7.316 9.439 3.228 957 1HB LEU 126 HB2 LEU 126 -5.344 11.686 3.737 958 2HB LEU 126 HB1 LEU 126 -6.726 11.314 4.769 959 HG LEU 126 HG LEU 126 -4.721 9.185 4.064 960 1HD1 LEU 126 HD11 LEU 126 -3.138 10.110 5.366 961 2HD1 LEU 126 HD12 LEU 126 -4.287 10.266 6.696 962 3HD1 LEU 126 HD13 LEU 126 -4.131 11.556 5.502 963 1HD2 LEU 126 HD21 LEU 126 -5.590 8.719 6.587 964 2HD2 LEU 126 HD22 LEU 126 -6.419 8.108 5.152 965 3HD2 LEU 126 HD23 LEU 126 -6.983 9.584 5.940 966 H ARG 127 HN ARG 127 -6.046 12.376 1.603 967 HA ARG 127 HA ARG 127 -8.497 13.830 1.621 968 1HB ARG 127 HB2 ARG 127 -6.316 14.816 1.124 969 2HB ARG 127 HB1 ARG 127 -6.182 13.840 -0.343 970 1HG ARG 127 HG2 ARG 127 -6.957 16.111 -0.899 971 2HG ARG 127 HG1 ARG 127 -8.220 14.929 -1.238 972 1HD ARG 127 HD2 ARG 127 -9.630 15.946 0.211 973 2HD ARG 127 HD1 ARG 127 -8.427 15.851 1.508 974 HE ARG 127 HE ARG 127 -8.805 18.130 -0.335 975 1HH1 ARG 127 HH11 ARG 127 -6.805 16.492 1.973 976 2HH1 ARG 127 HH12 ARG 127 -5.905 17.911 2.379 977 1HH2 ARG 127 HH21 ARG 127 -7.607 19.957 0.169 978 2HH2 ARG 127 HH22 ARG 127 -6.362 19.870 1.369 979 H LEU 128 HN LEU 128 -7.425 11.176 -0.376 980 HA LEU 128 HA LEU 128 -9.560 11.615 -2.383 981 1HB LEU 128 HB2 LEU 128 -7.035 10.173 -2.113 982 2HB LEU 128 HB1 LEU 128 -8.300 9.160 -2.811 983 HG LEU 128 HG LEU 128 -8.800 11.171 -4.349 984 1HD1 LEU 128 HD11 LEU 128 -6.642 12.210 -2.757 985 2HD1 LEU 128 HD12 LEU 128 -7.571 13.028 -4.013 986 3HD1 LEU 128 HD13 LEU 128 -6.122 12.116 -4.439 987 1HD2 LEU 128 HD21 LEU 128 -7.156 10.405 -5.953 988 2HD2 LEU 128 HD22 LEU 128 -7.658 9.014 -4.992 989 3HD2 LEU 128 HD23 LEU 128 -6.115 9.802 -4.668 990 H ALA 129 HN ALA 129 -9.659 10.501 0.668 991 HA ALA 129 HA ALA 129 -11.039 7.946 0.213 992 1HB ALA 129 HB1 ALA 129 -10.111 9.624 2.488 993 2HB ALA 129 HB2 ALA 129 -9.887 7.899 2.206 994 3HB ALA 129 HB3 ALA 129 -11.429 8.502 2.809 995 HA PRO 130 HA PRO 130 -12.603 6.719 0.769 996 1HB PRO 130 HB2 PRO 130 -14.622 5.852 -0.861 997 2HB PRO 130 HB1 PRO 130 -14.829 6.106 0.883 998 1HG PRO 130 HG2 PRO 130 -15.613 7.860 -1.391 999 2HG PRO 130 HG1 PRO 130 -16.473 7.513 0.118 1000 1HD PRO 130 HD2 PRO 130 -15.079 9.805 -0.296 1001 2HD PRO 130 HD1 PRO 130 -15.300 9.073 1.307 1002 H VAL 131 HN VAL 131 -11.499 5.485 -0.845 1003 HA VAL 131 HA VAL 131 -10.924 6.976 -3.361 1004 HB VAL 131 HB VAL 131 -9.536 4.461 -2.478 1005 1HG1 VAL 131 HG11 VAL 131 -8.564 7.027 -3.756 1006 2HG1 VAL 131 HG12 VAL 131 -9.010 5.564 -4.635 1007 3HG1 VAL 131 HG13 VAL 131 -7.635 5.541 -3.538 1008 1HG2 VAL 131 HG21 VAL 131 -9.014 5.402 -0.481 1009 2HG2 VAL 131 HG22 VAL 131 -9.706 6.952 -0.954 1010 3HG2 VAL 131 HG23 VAL 131 -8.047 6.557 -1.398 1011 H GLU 132 HN GLU 132 -11.068 5.903 -5.388 1012 HA GLU 132 HA GLU 132 -13.104 3.747 -5.471 1013 1HB GLU 132 HB2 GLU 132 -11.818 5.497 -7.597 1014 2HB GLU 132 HB1 GLU 132 -13.199 4.428 -7.852 1015 1HG GLU 132 HG2 GLU 132 -14.615 5.717 -6.490 1016 2HG GLU 132 HG1 GLU 132 -13.263 6.518 -5.691 1017 H THR 133 HN THR 133 -11.952 1.851 -5.017 1018 HA THR 133 HA THR 133 -9.377 1.240 -6.278 1019 HB THR 133 HB THR 133 -10.051 -1.011 -5.078 1020 HG1 THR 133 HG1 THR 133 -11.714 -0.775 -3.654 1021 1HG2 THR 133 HG21 THR 133 -9.451 1.640 -3.796 1022 2HG2 THR 133 HG22 THR 133 -8.370 0.270 -4.056 1023 3HG2 THR 133 HG23 THR 133 -9.623 0.184 -2.818 1024 H MET 134 HN MET 134 -12.511 1.203 -7.393 1025 HA MET 134 HA MET 134 -13.637 0.041 -9.110 1026 1HB MET 134 HB2 MET 134 -10.736 -0.231 -9.978 1027 2HB MET 134 HB1 MET 134 -12.139 -0.390 -11.035 1028 1HG MET 134 HG2 MET 134 -12.179 2.083 -9.463 1029 2HG MET 134 HG1 MET 134 -10.778 1.969 -10.530 1030 1HE MET 134 HE1 MET 134 -11.709 1.866 -13.884 1031 2HE MET 134 HE2 MET 134 -10.566 2.022 -12.553 1032 3HE MET 134 HE3 MET 134 -11.451 3.438 -13.112 1033 H ALA 135 HN ALA 135 -12.491 -1.586 -6.736 1034 HA ALA 135 HA ALA 135 -12.995 -4.238 -7.990 1035 1HB ALA 135 HB1 ALA 135 -10.882 -5.028 -6.693 1036 2HB ALA 135 HB2 ALA 135 -10.440 -3.320 -6.685 1037 3HB ALA 135 HB3 ALA 135 -10.651 -4.171 -8.215 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -2.577 7.515 16.523 2 2H MET 1 HT2 MET 1 -2.265 8.413 17.930 3 3H MET 1 HT3 MET 1 -3.174 6.981 18.018 4 HA MET 1 HA MET 1 -0.685 6.945 18.710 5 1HB MET 1 HB2 MET 1 -2.513 5.108 17.275 6 2HB MET 1 HB1 MET 1 -0.823 4.599 17.319 7 1HG MET 1 HG2 MET 1 -0.777 4.483 19.642 8 2HG MET 1 HG1 MET 1 -2.125 5.603 19.828 9 1HE MET 1 HE1 MET 1 -2.294 3.892 21.607 10 2HE MET 1 HE2 MET 1 -1.799 2.262 21.163 11 3HE MET 1 HE3 MET 1 -3.491 2.592 21.519 12 H LEU 2 HN LEU 2 0.159 8.797 17.197 13 HA LEU 2 HA LEU 2 1.070 7.924 14.545 14 1HB LEU 2 HB2 LEU 2 0.343 10.231 15.060 15 2HB LEU 2 HB1 LEU 2 1.651 10.377 16.237 16 HG LEU 2 HG LEU 2 2.546 9.470 13.586 17 1HD1 LEU 2 HD11 LEU 2 1.812 12.372 13.772 18 2HD1 LEU 2 HD12 LEU 2 0.583 11.212 13.266 19 3HD1 LEU 2 HD13 LEU 2 2.075 11.378 12.340 20 1HD2 LEU 2 HD21 LEU 2 3.838 11.823 14.331 21 2HD2 LEU 2 HD22 LEU 2 4.385 10.187 14.700 22 3HD2 LEU 2 HD23 LEU 2 3.414 11.078 15.872 23 H SER 3 HN SER 3 2.048 7.042 17.513 24 HA SER 3 HA SER 3 4.826 7.547 17.709 25 1HB SER 3 HB2 SER 3 3.196 5.101 18.458 26 2HB SER 3 HB1 SER 3 4.786 5.491 19.107 27 HG SER 3 HG SER 3 2.342 6.884 19.412 28 H GLN 4 HN GLN 4 3.099 4.966 15.968 29 HA GLN 4 HA GLN 4 5.550 4.552 14.327 30 1HB GLN 4 HB2 GLN 4 3.994 2.398 15.792 31 2HB GLN 4 HB1 GLN 4 5.315 2.100 14.661 32 1HG GLN 4 HG2 GLN 4 6.645 3.758 16.201 33 2HG GLN 4 HG1 GLN 4 5.415 3.341 17.394 34 1HE2 GLN 4 HE21 GLN 4 8.436 2.561 16.977 35 2HE2 GLN 4 HE22 GLN 4 8.425 0.878 17.198 36 H ILE 5 HN ILE 5 5.109 3.601 12.268 37 HA ILE 5 HA ILE 5 2.245 3.818 11.408 38 HB ILE 5 HB ILE 5 4.876 4.054 9.906 39 1HG1 ILE 5 HG12 ILE 5 2.879 6.173 10.762 40 2HG1 ILE 5 HG11 ILE 5 4.467 5.917 11.486 41 1HG2 ILE 5 HG21 ILE 5 3.128 3.281 8.423 42 2HG2 ILE 5 HG22 ILE 5 3.407 4.993 8.105 43 3HG2 ILE 5 HG23 ILE 5 2.006 4.491 9.049 44 1HD1 ILE 5 HD11 ILE 5 4.793 7.675 9.918 45 2HD1 ILE 5 HD12 ILE 5 3.823 6.862 8.689 46 3HD1 ILE 5 HD13 ILE 5 5.415 6.233 9.116 47 H ALA 6 HN ALA 6 1.302 1.956 10.455 48 HA ALA 6 HA ALA 6 2.956 -0.493 10.412 49 1HB ALA 6 HB1 ALA 6 0.486 -1.282 9.750 50 2HB ALA 6 HB2 ALA 6 0.084 0.273 10.482 51 3HB ALA 6 HB3 ALA 6 0.944 -0.947 11.421 52 H ILE 7 HN ILE 7 4.108 -0.620 8.534 53 HA ILE 7 HA ILE 7 2.651 -0.097 5.960 54 HB ILE 7 HB ILE 7 5.603 0.047 6.652 55 1HG1 ILE 7 HG12 ILE 7 3.450 2.150 6.334 56 2HG1 ILE 7 HG11 ILE 7 4.446 1.837 7.757 57 1HG2 ILE 7 HG21 ILE 7 4.403 1.308 4.227 58 2HG2 ILE 7 HG22 ILE 7 4.658 -0.436 4.198 59 3HG2 ILE 7 HG23 ILE 7 6.021 0.653 4.464 60 1HD1 ILE 7 HD11 ILE 7 5.416 3.742 6.695 61 2HD1 ILE 7 HD12 ILE 7 5.321 2.993 5.102 62 3HD1 ILE 7 HD13 ILE 7 6.468 2.384 6.294 63 H CYS 8 HN CYS 8 2.361 -1.877 4.688 64 HA CYS 8 HA CYS 8 4.038 -4.300 5.259 65 1HB CYS 8 HB2 CYS 8 1.540 -4.275 5.753 66 2HB CYS 8 HB1 CYS 8 1.283 -4.129 4.014 67 HG CYS 8 HG CYS 8 1.587 -6.575 3.883 68 H ILE 9 HN ILE 9 5.488 -4.683 3.610 69 HA ILE 9 HA ILE 9 4.789 -3.688 0.869 70 HB ILE 9 HB ILE 9 6.818 -2.821 2.009 71 1HG1 ILE 9 HG12 ILE 9 6.590 -3.417 -0.570 72 2HG1 ILE 9 HG11 ILE 9 8.141 -2.896 0.085 73 1HG2 ILE 9 HG21 ILE 9 7.534 -4.536 3.420 74 2HG2 ILE 9 HG22 ILE 9 8.722 -4.597 2.118 75 3HG2 ILE 9 HG23 ILE 9 7.399 -5.762 2.158 76 1HD1 ILE 9 HD11 ILE 9 7.685 -5.793 0.305 77 2HD1 ILE 9 HD12 ILE 9 9.088 -4.916 -0.302 78 3HD1 ILE 9 HD13 ILE 9 7.704 -5.209 -1.353 79 H TRP 10 HN TRP 10 5.160 -5.061 -0.912 80 HA TRP 10 HA TRP 10 5.610 -7.950 -0.264 81 1HB TRP 10 HB2 TRP 10 3.263 -7.766 -0.657 82 2HB TRP 10 HB1 TRP 10 3.504 -6.640 -1.997 83 HD1 TRP 10 HD1 TRP 10 5.737 -9.684 -1.723 84 HE1 TRP 10 HE1 TRP 10 5.232 -11.301 -3.670 85 HE3 TRP 10 HE3 TRP 10 1.562 -7.460 -3.642 86 HZ2 TRP 10 HZ2 TRP 10 3.307 -11.603 -5.756 87 HZ3 TRP 10 HZ3 TRP 10 0.418 -8.432 -5.609 88 HH2 TRP 10 HH2 TRP 10 1.282 -10.498 -6.669 89 H VAL 11 HN VAL 11 7.629 -8.234 -1.144 90 HA VAL 11 HA VAL 11 7.928 -7.715 -4.051 91 HB VAL 11 HB VAL 11 8.661 -5.685 -2.832 92 1HG1 VAL 11 HG11 VAL 11 10.452 -5.789 -1.218 93 2HG1 VAL 11 HG12 VAL 11 10.698 -7.505 -1.536 94 3HG1 VAL 11 HG13 VAL 11 9.227 -6.959 -0.729 95 1HG2 VAL 11 HG21 VAL 11 10.199 -7.218 -4.656 96 2HG2 VAL 11 HG22 VAL 11 11.324 -6.541 -3.478 97 3HG2 VAL 11 HG23 VAL 11 10.257 -5.478 -4.393 98 H GLU 12 HN GLU 12 8.855 -9.532 -4.912 99 HA GLU 12 HA GLU 12 9.903 -11.626 -3.161 100 1HB GLU 12 HB2 GLU 12 9.719 -11.277 -6.167 101 2HB GLU 12 HB1 GLU 12 10.188 -12.779 -5.373 102 1HG GLU 12 HG2 GLU 12 8.003 -12.721 -4.135 103 2HG GLU 12 HG1 GLU 12 7.544 -11.330 -5.118 104 H SER 13 HN SER 13 11.247 -8.817 -4.295 105 HA SER 13 HA SER 13 13.970 -9.967 -4.704 106 1HB SER 13 HB2 SER 13 12.744 -8.262 -6.248 107 2HB SER 13 HB1 SER 13 13.101 -7.087 -4.989 108 HG SER 13 HG SER 13 15.344 -7.945 -5.209 109 H THR 14 HN THR 14 15.134 -10.105 -2.803 110 HA THR 14 HA THR 14 14.435 -8.780 -0.376 111 HB THR 14 HB THR 14 17.204 -9.667 -1.176 112 HG1 THR 14 HG1 THR 14 16.488 -11.625 -1.368 113 1HG2 THR 14 HG21 THR 14 16.625 -8.623 1.105 114 2HG2 THR 14 HG22 THR 14 17.499 -10.154 1.107 115 3HG2 THR 14 HG23 THR 14 15.764 -10.130 1.423 116 H ALA 15 HN ALA 15 16.636 -7.894 -3.021 117 HA ALA 15 HA ALA 15 17.904 -5.657 -1.796 118 1HB ALA 15 HB1 ALA 15 18.877 -5.650 -3.842 119 2HB ALA 15 HB2 ALA 15 17.337 -5.295 -4.625 120 3HB ALA 15 HB3 ALA 15 17.793 -6.965 -4.289 121 H ILE 16 HN ILE 16 14.946 -5.790 -3.846 122 HA ILE 16 HA ILE 16 14.303 -2.994 -3.508 123 HB ILE 16 HB ILE 16 12.680 -5.465 -4.196 124 1HG1 ILE 16 HG12 ILE 16 13.475 -3.175 -5.996 125 2HG1 ILE 16 HG11 ILE 16 14.546 -4.555 -5.742 126 1HG2 ILE 16 HG21 ILE 16 11.901 -2.539 -4.342 127 2HG2 ILE 16 HG22 ILE 16 11.217 -3.731 -3.239 128 3HG2 ILE 16 HG23 ILE 16 10.945 -3.877 -4.976 129 1HD1 ILE 16 HD11 ILE 16 12.362 -4.381 -7.538 130 2HD1 ILE 16 HD12 ILE 16 11.873 -5.499 -6.264 131 3HD1 ILE 16 HD13 ILE 16 13.348 -5.798 -7.184 132 H LEU 17 HN LEU 17 13.367 -5.986 -1.824 133 HA LEU 17 HA LEU 17 11.500 -4.893 0.015 134 1HB LEU 17 HB2 LEU 17 11.730 -7.248 -0.078 135 2HB LEU 17 HB1 LEU 17 13.484 -7.167 0.007 136 HG LEU 17 HG LEU 17 12.136 -7.911 2.120 137 1HD1 LEU 17 HD11 LEU 17 14.622 -6.726 1.669 138 2HD1 LEU 17 HD12 LEU 17 14.119 -7.582 3.127 139 3HD1 LEU 17 HD13 LEU 17 13.951 -5.828 3.031 140 1HD2 LEU 17 HD21 LEU 17 10.894 -6.360 3.221 141 2HD2 LEU 17 HD22 LEU 17 10.965 -5.410 1.736 142 3HD2 LEU 17 HD23 LEU 17 12.134 -5.123 3.025 143 H GLN 18 HN GLN 18 15.035 -5.211 0.171 144 HA GLN 18 HA GLN 18 15.380 -3.980 2.755 145 1HB GLN 18 HB2 GLN 18 17.111 -4.409 0.312 146 2HB GLN 18 HB1 GLN 18 17.739 -3.635 1.764 147 1HG GLN 18 HG2 GLN 18 16.987 -5.657 3.070 148 2HG GLN 18 HG1 GLN 18 16.607 -6.432 1.528 149 1HE2 GLN 18 HE21 GLN 18 18.334 -7.361 0.365 150 2HE2 GLN 18 HE22 GLN 18 19.966 -7.216 0.811 151 H ASP 19 HN ASP 19 15.758 -2.671 -0.561 152 HA ASP 19 HA ASP 19 16.403 -0.011 0.177 153 1HB ASP 19 HB2 ASP 19 14.835 -1.053 -2.208 154 2HB ASP 19 HB1 ASP 19 15.698 0.482 -2.130 155 H CYS 20 HN CYS 20 13.215 -1.518 -0.420 156 HA CYS 20 HA CYS 20 11.631 0.835 -0.073 157 1HB CYS 20 HB2 CYS 20 11.152 -2.127 0.335 158 2HB CYS 20 HB1 CYS 20 9.863 -0.931 0.473 159 HG CYS 20 HG CYS 20 10.477 -2.054 -2.073 160 H GLN 21 HN GLN 21 12.704 -1.656 2.266 161 HA GLN 21 HA GLN 21 11.351 -0.382 4.513 162 1HB GLN 21 HB2 GLN 21 13.459 -2.536 4.201 163 2HB GLN 21 HB1 GLN 21 12.740 -2.102 5.754 164 1HG GLN 21 HG2 GLN 21 10.465 -2.459 4.579 165 2HG GLN 21 HG1 GLN 21 11.392 -3.298 3.335 166 1HE2 GLN 21 HE21 GLN 21 13.352 -4.114 5.595 167 2HE2 GLN 21 HE22 GLN 21 12.584 -5.441 6.314 168 H ARG 22 HN ARG 22 14.648 -0.407 3.210 169 HA ARG 22 HA ARG 22 16.076 0.852 5.273 170 1HB ARG 22 HB2 ARG 22 16.134 0.708 2.302 171 2HB ARG 22 HB1 ARG 22 17.147 1.943 3.053 172 1HG ARG 22 HG2 ARG 22 18.445 0.374 4.196 173 2HG ARG 22 HG1 ARG 22 17.190 -0.864 4.123 174 1HD ARG 22 HD2 ARG 22 17.654 -1.379 1.867 175 2HD ARG 22 HD1 ARG 22 18.499 0.159 1.598 176 HE ARG 22 HE ARG 22 19.873 -1.143 3.681 177 1HH1 ARG 22 HH11 ARG 22 19.071 -1.661 0.363 178 2HH1 ARG 22 HH12 ARG 22 20.492 -2.593 0.035 179 1HH2 ARG 22 HH21 ARG 22 21.745 -2.337 3.243 180 2HH2 ARG 22 HH22 ARG 22 22.001 -2.961 1.649 181 H ALA 23 HN ALA 23 14.201 2.383 2.643 182 HA ALA 23 HA ALA 23 14.620 5.079 3.617 183 1HB ALA 23 HB1 ALA 23 13.209 5.646 1.778 184 2HB ALA 23 HB2 ALA 23 12.377 4.093 1.845 185 3HB ALA 23 HB3 ALA 23 14.036 4.177 1.261 186 H LEU 24 HN LEU 24 11.938 2.697 3.932 187 HA LEU 24 HA LEU 24 10.395 4.538 5.641 188 1HB LEU 24 HB2 LEU 24 10.052 1.648 4.797 189 2HB LEU 24 HB1 LEU 24 8.816 2.634 5.581 190 HG LEU 24 HG LEU 24 10.101 3.124 2.891 191 1HD1 LEU 24 HD11 LEU 24 7.224 3.180 3.020 192 2HD1 LEU 24 HD12 LEU 24 7.839 1.671 3.696 193 3HD1 LEU 24 HD13 LEU 24 8.275 2.142 2.054 194 1HD2 LEU 24 HD21 LEU 24 9.849 5.295 3.594 195 2HD2 LEU 24 HD22 LEU 24 8.593 4.899 4.750 196 3HD2 LEU 24 HD23 LEU 24 8.202 5.008 3.038 197 H SER 25 HN SER 25 12.992 3.809 6.704 198 HA SER 25 HA SER 25 12.401 1.849 8.855 199 1HB SER 25 HB2 SER 25 14.536 1.936 7.400 200 2HB SER 25 HB1 SER 25 14.976 3.351 8.351 201 HG SER 25 HG SER 25 15.806 1.716 9.496 202 H ALA 26 HN ALA 26 11.406 4.808 8.588 203 HA ALA 26 HA ALA 26 12.600 6.498 10.484 204 1HB ALA 26 HB1 ALA 26 9.719 6.532 10.724 205 2HB ALA 26 HB2 ALA 26 10.167 6.263 9.038 206 3HB ALA 26 HB3 ALA 26 10.761 7.684 9.894 207 H ASP 27 HN ASP 27 12.280 6.725 12.799 208 HA ASP 27 HA ASP 27 12.293 4.371 14.345 209 1HB ASP 27 HB2 ASP 27 11.527 7.240 14.954 210 2HB ASP 27 HB1 ASP 27 11.708 6.015 16.210 211 H ARG 28 HN ARG 28 9.618 6.020 12.908 212 HA ARG 28 HA ARG 28 7.675 4.540 14.633 213 1HB ARG 28 HB2 ARG 28 6.103 6.269 13.815 214 2HB ARG 28 HB1 ARG 28 7.542 7.012 14.514 215 1HG ARG 28 HG2 ARG 28 8.386 7.660 12.442 216 2HG ARG 28 HG1 ARG 28 7.499 6.406 11.575 217 1HD ARG 28 HD2 ARG 28 6.300 8.371 11.028 218 2HD ARG 28 HD1 ARG 28 5.369 7.719 12.392 219 HE ARG 28 HE ARG 28 7.449 9.345 13.448 220 1HH1 ARG 28 HH11 ARG 28 4.566 9.556 11.554 221 2HH1 ARG 28 HH12 ARG 28 4.190 11.165 12.074 222 1HH2 ARG 28 HH21 ARG 28 6.961 11.435 14.141 223 2HH2 ARG 28 HH22 ARG 28 5.541 12.225 13.542 224 H TYR 29 HN TYR 29 8.994 2.994 12.602 225 HA TYR 29 HA TYR 29 6.783 2.694 10.602 226 1HB TYR 29 HB2 TYR 29 9.740 2.864 10.401 227 2HB TYR 29 HB1 TYR 29 8.965 1.671 9.357 228 HD1 TYR 29 HD1 TYR 29 8.132 2.370 7.294 229 HD2 TYR 29 HD2 TYR 29 8.522 5.213 10.478 230 HE1 TYR 29 HE1 TYR 29 7.377 4.175 5.780 231 HE2 TYR 29 HE2 TYR 29 7.783 7.031 8.959 232 HH TYR 29 HH TYR 29 7.578 7.530 6.659 233 H GLN 30 HN GLN 30 5.870 0.701 10.518 234 HA GLN 30 HA GLN 30 7.270 -1.592 11.882 235 1HB GLN 30 HB2 GLN 30 4.300 -1.185 11.406 236 2HB GLN 30 HB1 GLN 30 5.051 -2.386 12.453 237 1HG GLN 30 HG2 GLN 30 5.983 -0.547 13.843 238 2HG GLN 30 HG1 GLN 30 5.128 0.619 12.834 239 1HE2 GLN 30 HE21 GLN 30 2.650 0.241 12.711 240 2HE2 GLN 30 HE22 GLN 30 1.882 -0.322 14.115 241 H LEU 31 HN LEU 31 8.338 -2.156 9.881 242 HA LEU 31 HA LEU 31 6.781 -2.566 7.448 243 1HB LEU 31 HB2 LEU 31 9.606 -3.417 8.082 244 2HB LEU 31 HB1 LEU 31 8.929 -3.011 6.507 245 HG LEU 31 HG LEU 31 9.508 -1.152 8.816 246 1HD1 LEU 31 HD11 LEU 31 11.270 -0.500 7.563 247 2HD1 LEU 31 HD12 LEU 31 10.271 -0.355 6.116 248 3HD1 LEU 31 HD13 LEU 31 10.963 -1.916 6.556 249 1HD2 LEU 31 HD21 LEU 31 7.486 -0.965 6.667 250 2HD2 LEU 31 HD22 LEU 31 8.522 0.451 6.829 251 3HD2 LEU 31 HD23 LEU 31 7.575 -0.108 8.206 252 H GLN 32 HN GLN 32 6.013 -4.419 6.647 253 HA GLN 32 HA GLN 32 6.773 -7.022 7.920 254 1HB GLN 32 HB2 GLN 32 4.220 -5.664 7.756 255 2HB GLN 32 HB1 GLN 32 4.144 -7.174 6.846 256 1HG GLN 32 HG2 GLN 32 5.466 -7.250 9.518 257 2HG GLN 32 HG1 GLN 32 3.708 -7.103 9.489 258 1HE2 GLN 32 HE21 GLN 32 6.404 -9.256 8.785 259 2HE2 GLN 32 HE22 GLN 32 5.462 -10.617 8.412 260 H VAL 33 HN VAL 33 7.674 -8.327 6.345 261 HA VAL 33 HA VAL 33 7.389 -7.494 3.514 262 HB VAL 33 HB VAL 33 9.097 -9.680 4.710 263 1HG1 VAL 33 HG11 VAL 33 8.698 -8.788 2.102 264 2HG1 VAL 33 HG12 VAL 33 10.073 -9.735 2.671 265 3HG1 VAL 33 HG13 VAL 33 10.181 -7.976 2.600 266 1HG2 VAL 33 HG21 VAL 33 9.737 -7.879 6.054 267 2HG2 VAL 33 HG22 VAL 33 9.380 -6.688 4.802 268 3HG2 VAL 33 HG23 VAL 33 10.825 -7.693 4.679 269 H CYS 34 HN CYS 34 6.278 -8.671 2.010 270 HA CYS 34 HA CYS 34 5.025 -11.247 2.908 271 1HB CYS 34 HB2 CYS 34 4.271 -9.121 0.885 272 2HB CYS 34 HB1 CYS 34 3.421 -10.661 1.011 273 HG CYS 34 HG CYS 34 3.280 -9.730 3.724 274 H GLU 35 HN GLU 35 6.030 -13.027 2.028 275 HA GLU 35 HA GLU 35 7.925 -12.874 -0.131 276 1HB GLU 35 HB2 GLU 35 6.388 -15.181 1.100 277 2HB GLU 35 HB1 GLU 35 7.809 -15.356 0.071 278 1HG GLU 35 HG2 GLU 35 7.764 -13.799 2.670 279 2HG GLU 35 HG1 GLU 35 8.348 -15.455 2.515 280 H SER 36 HN SER 36 4.455 -13.495 0.000 281 HA SER 36 HA SER 36 4.496 -13.737 -2.992 282 1HB SER 36 HB2 SER 36 2.986 -15.250 -0.862 283 2HB SER 36 HB1 SER 36 2.442 -15.227 -2.538 284 HG SER 36 HG SER 36 4.596 -16.497 -1.376 285 H GLY 37 HN GLY 37 1.786 -13.628 -3.462 286 1HA GLY 37 HA2 GLY 37 1.112 -10.888 -2.519 287 2HA GLY 37 HA1 GLY 37 0.433 -11.674 -3.951 288 H GLU 38 HN GLU 38 0.240 -14.215 -2.462 289 HA GLU 38 HA GLU 38 -2.455 -14.032 -1.481 290 1HB GLU 38 HB2 GLU 38 -0.177 -16.017 -1.497 291 2HB GLU 38 HB1 GLU 38 -1.686 -16.398 -0.691 292 1HG GLU 38 HG2 GLU 38 -2.899 -15.889 -2.823 293 2HG GLU 38 HG1 GLU 38 -1.331 -15.685 -3.605 294 H MET 39 HN MET 39 0.758 -14.127 -0.056 295 HA MET 39 HA MET 39 0.043 -14.396 2.678 296 1HB MET 39 HB2 MET 39 2.361 -13.200 1.148 297 2HB MET 39 HB1 MET 39 2.379 -13.304 2.906 298 1HG MET 39 HG2 MET 39 1.875 -15.691 1.114 299 2HG MET 39 HG1 MET 39 3.477 -15.255 1.708 300 1HE MET 39 HE1 MET 39 3.016 -14.759 5.261 301 2HE MET 39 HE2 MET 39 3.990 -14.655 3.798 302 3HE MET 39 HE3 MET 39 4.066 -16.105 4.795 303 H LEU 40 HN LEU 40 0.661 -11.480 0.702 304 HA LEU 40 HA LEU 40 0.250 -9.551 2.757 305 1HB LEU 40 HB2 LEU 40 1.265 -8.849 0.755 306 2HB LEU 40 HB1 LEU 40 0.033 -9.613 -0.248 307 HG LEU 40 HG LEU 40 -1.630 -7.959 0.601 308 1HD1 LEU 40 HD11 LEU 40 0.089 -5.939 1.552 309 2HD1 LEU 40 HD12 LEU 40 0.535 -7.402 2.427 310 3HD1 LEU 40 HD13 LEU 40 -1.130 -6.822 2.472 311 1HD2 LEU 40 HD21 LEU 40 0.678 -7.435 -1.087 312 2HD2 LEU 40 HD22 LEU 40 0.090 -5.953 -0.336 313 3HD2 LEU 40 HD23 LEU 40 -0.999 -6.936 -1.313 314 H LEU 41 HN LEU 41 -2.078 -11.201 0.593 315 HA LEU 41 HA LEU 41 -4.377 -9.636 1.232 316 1HB LEU 41 HB2 LEU 41 -4.134 -12.617 0.673 317 2HB LEU 41 HB1 LEU 41 -5.592 -11.650 0.483 318 HG LEU 41 HG LEU 41 -3.027 -11.071 -1.001 319 1HD1 LEU 41 HD11 LEU 41 -4.369 -13.343 -1.409 320 2HD1 LEU 41 HD12 LEU 41 -3.721 -12.410 -2.760 321 3HD1 LEU 41 HD13 LEU 41 -5.423 -12.265 -2.325 322 1HD2 LEU 41 HD21 LEU 41 -4.483 -9.154 -0.857 323 2HD2 LEU 41 HD22 LEU 41 -5.889 -10.135 -1.262 324 3HD2 LEU 41 HD23 LEU 41 -4.651 -9.827 -2.479 325 H GLU 42 HN GLU 42 -3.082 -12.618 2.754 326 HA GLU 42 HA GLU 42 -5.046 -12.826 4.820 327 1HB GLU 42 HB2 GLU 42 -3.307 -14.508 4.047 328 2HB GLU 42 HB1 GLU 42 -2.102 -13.565 4.925 329 1HG GLU 42 HG2 GLU 42 -2.792 -15.301 6.419 330 2HG GLU 42 HG1 GLU 42 -3.588 -13.831 6.985 331 H TYR 43 HN TYR 43 -1.938 -11.078 4.683 332 HA TYR 43 HA TYR 43 -1.989 -10.158 7.411 333 1HB TYR 43 HB2 TYR 43 0.059 -10.165 6.159 334 2HB TYR 43 HB1 TYR 43 -0.661 -9.214 4.858 335 HD1 TYR 43 HD1 TYR 43 0.591 -9.121 8.333 336 HD2 TYR 43 HD2 TYR 43 -0.976 -6.826 5.061 337 HE1 TYR 43 HE1 TYR 43 1.261 -7.031 9.480 338 HE2 TYR 43 HE2 TYR 43 -0.308 -4.736 6.207 339 HH TYR 43 HH TYR 43 1.739 -4.745 8.987 340 H ALA 44 HN ALA 44 -3.058 -8.669 4.335 341 HA ALA 44 HA ALA 44 -4.029 -6.243 5.655 342 1HB ALA 44 HB1 ALA 44 -5.061 -6.485 3.047 343 2HB ALA 44 HB2 ALA 44 -3.504 -7.311 3.005 344 3HB ALA 44 HB3 ALA 44 -3.594 -5.627 3.519 345 H GLN 45 HN GLN 45 -5.318 -9.377 4.909 346 HA GLN 45 HA GLN 45 -8.106 -8.696 4.651 347 1HB GLN 45 HB2 GLN 45 -6.412 -11.102 5.148 348 2HB GLN 45 HB1 GLN 45 -8.139 -11.238 5.481 349 1HG GLN 45 HG2 GLN 45 -8.697 -10.592 3.240 350 2HG GLN 45 HG1 GLN 45 -7.022 -10.179 2.884 351 1HE2 GLN 45 HE21 GLN 45 -7.677 -11.925 1.069 352 2HE2 GLN 45 HE22 GLN 45 -7.285 -13.529 1.458 353 H THR 46 HN THR 46 -6.068 -8.528 7.373 354 HA THR 46 HA THR 46 -8.490 -8.658 9.142 355 HB THR 46 HB THR 46 -7.335 -10.073 10.644 356 HG1 THR 46 HG1 THR 46 -5.133 -10.294 10.630 357 1HG2 THR 46 HG21 THR 46 -6.542 -11.939 9.283 358 2HG2 THR 46 HG22 THR 46 -6.307 -10.866 7.903 359 3HG2 THR 46 HG23 THR 46 -7.936 -11.200 8.494 360 H HIS 47 HN HIS 47 -6.175 -6.677 7.966 361 HA HIS 47 HA HIS 47 -6.238 -4.936 10.393 362 1HB HIS 47 HB2 HIS 47 -3.921 -6.184 8.964 363 2HB HIS 47 HB1 HIS 47 -3.704 -4.547 9.566 364 HD1 HIS 47 HD1 HIS 47 -3.050 -4.367 11.991 365 HD2 HIS 47 HD2 HIS 47 -4.875 -8.015 11.153 366 HE1 HIS 47 HE1 HIS 47 -2.888 -5.757 14.106 367 H ARG 48 HN ARG 48 -7.506 -4.985 7.623 368 HA ARG 48 HA ARG 48 -6.472 -3.305 5.696 369 1HB ARG 48 HB2 ARG 48 -9.243 -2.626 6.582 370 2HB ARG 48 HB1 ARG 48 -8.646 -2.994 4.970 371 1HG ARG 48 HG2 ARG 48 -8.366 -5.393 5.774 372 2HG ARG 48 HG1 ARG 48 -9.306 -4.924 7.189 373 1HD ARG 48 HD2 ARG 48 -10.772 -3.924 5.008 374 2HD ARG 48 HD1 ARG 48 -10.257 -5.551 4.519 375 HE ARG 48 HE ARG 48 -12.123 -4.959 6.657 376 1HH1 ARG 48 HH11 ARG 48 -9.568 -7.034 5.616 377 2HH1 ARG 48 HH12 ARG 48 -10.116 -8.388 6.547 378 1HH2 ARG 48 HH21 ARG 48 -12.853 -6.714 7.859 379 2HH2 ARG 48 HH22 ARG 48 -11.979 -8.208 7.813 380 H ASP 49 HN ASP 49 -8.343 -2.091 8.477 381 HA ASP 49 HA ASP 49 -7.573 0.677 7.974 382 1HB ASP 49 HB2 ASP 49 -9.638 -0.285 9.213 383 2HB ASP 49 HB1 ASP 49 -8.558 -0.435 10.603 384 H GLN 50 HN GLN 50 -6.190 -1.955 9.800 385 HA GLN 50 HA GLN 50 -4.519 -0.359 11.535 386 1HB GLN 50 HB2 GLN 50 -4.299 -3.211 10.543 387 2HB GLN 50 HB1 GLN 50 -3.466 -2.554 11.950 388 1HG GLN 50 HG2 GLN 50 -6.478 -2.563 11.628 389 2HG GLN 50 HG1 GLN 50 -5.586 -3.806 12.505 390 1HE2 GLN 50 HE21 GLN 50 -6.854 -0.575 12.699 391 2HE2 GLN 50 HE22 GLN 50 -6.267 -0.218 14.251 392 H ILE 51 HN ILE 51 -4.131 -1.636 8.245 393 HA ILE 51 HA ILE 51 -1.261 -1.187 8.126 394 HB ILE 51 HB ILE 51 -3.303 -1.328 5.885 395 1HG1 ILE 51 HG12 ILE 51 -3.723 -3.333 6.991 396 2HG1 ILE 51 HG11 ILE 51 -2.407 -3.811 5.928 397 1HG2 ILE 51 HG21 ILE 51 -1.286 -0.730 4.882 398 2HG2 ILE 51 HG22 ILE 51 -1.189 -2.491 4.835 399 3HG2 ILE 51 HG23 ILE 51 -0.319 -1.592 6.078 400 1HD1 ILE 51 HD11 ILE 51 -2.151 -3.002 8.840 401 2HD1 ILE 51 HD12 ILE 51 -0.794 -3.378 7.777 402 3HD1 ILE 51 HD13 ILE 51 -1.965 -4.631 8.187 403 H ASP 52 HN ASP 52 -0.292 0.791 7.981 404 HA ASP 52 HA ASP 52 -1.918 3.177 7.401 405 1HB ASP 52 HB2 ASP 52 0.968 2.691 8.198 406 2HB ASP 52 HB1 ASP 52 0.244 4.289 8.045 407 H CYS 53 HN CYS 53 0.678 1.294 5.838 408 HA CYS 53 HA CYS 53 0.104 2.719 3.296 409 1HB CYS 53 HB2 CYS 53 1.902 3.895 4.736 410 2HB CYS 53 HB1 CYS 53 2.931 2.516 4.339 411 HG CYS 53 HG CYS 53 2.228 4.780 2.447 412 H LEU 54 HN LEU 54 0.361 1.344 1.520 413 HA LEU 54 HA LEU 54 1.600 -1.342 2.114 414 1HB LEU 54 HB2 LEU 54 -0.731 -1.536 1.649 415 2HB LEU 54 HB1 LEU 54 -0.634 -0.380 0.322 416 HG LEU 54 HG LEU 54 0.556 -1.924 -1.063 417 1HD1 LEU 54 HD11 LEU 54 0.969 -3.381 1.524 418 2HD1 LEU 54 HD12 LEU 54 2.128 -3.030 0.242 419 3HD1 LEU 54 HD13 LEU 54 0.936 -4.310 0.029 420 1HD2 LEU 54 HD21 LEU 54 -1.916 -2.776 0.288 421 2HD2 LEU 54 HD22 LEU 54 -1.031 -4.100 -0.472 422 3HD2 LEU 54 HD23 LEU 54 -1.543 -2.711 -1.434 423 H ILE 55 HN ILE 55 3.446 -1.842 0.957 424 HA ILE 55 HA ILE 55 4.197 -0.066 -1.334 425 HB ILE 55 HB ILE 55 5.688 -2.161 0.256 426 1HG1 ILE 55 HG12 ILE 55 6.047 0.826 0.405 427 2HG1 ILE 55 HG11 ILE 55 4.969 -0.056 1.493 428 1HG2 ILE 55 HG21 ILE 55 7.705 -1.066 -0.774 429 2HG2 ILE 55 HG22 ILE 55 6.615 -0.126 -1.792 430 3HG2 ILE 55 HG23 ILE 55 6.674 -1.881 -1.950 431 1HD1 ILE 55 HD11 ILE 55 6.692 -0.977 2.652 432 2HD1 ILE 55 HD12 ILE 55 7.659 0.315 1.938 433 3HD1 ILE 55 HD13 ILE 55 7.628 -1.283 1.190 434 H LEU 56 HN LEU 56 4.336 -0.967 -3.433 435 HA LEU 56 HA LEU 56 4.151 -3.938 -3.668 436 1HB LEU 56 HB2 LEU 56 2.354 -1.855 -4.932 437 2HB LEU 56 HB1 LEU 56 2.399 -3.544 -5.445 438 HG LEU 56 HG LEU 56 1.872 -2.669 -2.596 439 1HD1 LEU 56 HD11 LEU 56 -0.355 -2.549 -3.042 440 2HD1 LEU 56 HD12 LEU 56 -0.290 -3.876 -4.201 441 3HD1 LEU 56 HD13 LEU 56 0.173 -2.248 -4.698 442 1HD2 LEU 56 HD21 LEU 56 1.921 -5.273 -4.104 443 2HD2 LEU 56 HD22 LEU 56 0.895 -5.099 -2.680 444 3HD2 LEU 56 HD23 LEU 56 2.641 -4.886 -2.542 445 H VAL 57 HN VAL 57 4.790 -4.719 -5.783 446 HA VAL 57 HA VAL 57 6.449 -2.773 -7.360 447 HB VAL 57 HB VAL 57 6.970 -5.657 -6.561 448 1HG1 VAL 57 HG11 VAL 57 8.303 -5.816 -8.367 449 2HG1 VAL 57 HG12 VAL 57 9.229 -4.431 -7.785 450 3HG1 VAL 57 HG13 VAL 57 7.851 -4.185 -8.857 451 1HG2 VAL 57 HG21 VAL 57 7.802 -4.539 -4.755 452 2HG2 VAL 57 HG22 VAL 57 7.847 -2.998 -5.614 453 3HG2 VAL 57 HG23 VAL 57 9.146 -4.171 -5.838 454 H ALA 58 HN ALA 58 5.356 -2.544 -9.277 455 HA ALA 58 HA ALA 58 3.392 -4.318 -10.305 456 1HB ALA 58 HB1 ALA 58 3.596 -2.922 -12.297 457 2HB ALA 58 HB2 ALA 58 5.194 -2.380 -11.781 458 3HB ALA 58 HB3 ALA 58 3.765 -1.915 -10.860 459 H ALA 59 HN ALA 59 6.823 -4.616 -10.338 460 HA ALA 59 HA ALA 59 7.239 -6.026 -12.779 461 1HB ALA 59 HB1 ALA 59 9.268 -5.584 -11.881 462 2HB ALA 59 HB2 ALA 59 9.035 -7.039 -10.913 463 3HB ALA 59 HB3 ALA 59 8.598 -5.464 -10.255 464 H ASN 60 HN ASN 60 5.505 -6.995 -9.965 465 HA ASN 60 HA ASN 60 6.032 -9.866 -10.236 466 1HB ASN 60 HB2 ASN 60 4.357 -8.027 -8.585 467 2HB ASN 60 HB1 ASN 60 3.882 -9.726 -8.647 468 1HD2 ASN 60 HD21 ASN 60 4.623 -9.337 -6.193 469 2HD2 ASN 60 HD22 ASN 60 6.247 -9.708 -5.868 470 HA PRO 61 HA PRO 61 3.053 -10.683 -13.336 471 1HB PRO 61 HB2 PRO 61 2.395 -13.269 -12.759 472 2HB PRO 61 HB1 PRO 61 3.943 -12.791 -13.483 473 1HG PRO 61 HG2 PRO 61 3.317 -13.534 -10.681 474 2HG PRO 61 HG1 PRO 61 4.779 -13.829 -11.634 475 1HD PRO 61 HD2 PRO 61 4.515 -11.855 -9.719 476 2HD PRO 61 HD1 PRO 61 5.710 -11.840 -11.033 477 H SER 62 HN SER 62 1.687 -12.575 -10.616 478 HA SER 62 HA SER 62 -0.993 -11.622 -11.268 479 1HB SER 62 HB2 SER 62 -0.206 -13.076 -8.753 480 2HB SER 62 HB1 SER 62 -1.688 -13.219 -9.691 481 HG SER 62 HG SER 62 -0.710 -14.823 -10.626 482 H PHE 63 HN PHE 63 1.335 -9.849 -9.958 483 HA PHE 63 HA PHE 63 0.628 -8.875 -7.446 484 1HB PHE 63 HB2 PHE 63 2.527 -7.947 -8.420 485 2HB PHE 63 HB1 PHE 63 1.755 -7.762 -9.989 486 HD1 PHE 63 HD1 PHE 63 1.141 -6.517 -6.480 487 HD2 PHE 63 HD2 PHE 63 1.448 -5.569 -10.661 488 HE1 PHE 63 HE1 PHE 63 0.667 -4.140 -5.979 489 HE2 PHE 63 HE2 PHE 63 0.976 -3.193 -10.157 490 HZ PHE 63 HZ PHE 63 0.582 -2.475 -7.814 491 H ARG 64 HN ARG 64 -0.685 -7.765 -10.582 492 HA ARG 64 HA ARG 64 -2.536 -5.846 -9.784 493 1HB ARG 64 HB2 ARG 64 -1.899 -7.307 -12.037 494 2HB ARG 64 HB1 ARG 64 -3.541 -7.859 -11.697 495 1HG ARG 64 HG2 ARG 64 -3.701 -5.924 -13.135 496 2HG ARG 64 HG1 ARG 64 -4.223 -5.435 -11.520 497 1HD ARG 64 HD2 ARG 64 -2.699 -3.762 -11.776 498 2HD ARG 64 HD1 ARG 64 -1.506 -5.021 -11.395 499 HE ARG 64 HE ARG 64 -0.862 -4.978 -13.663 500 1HH1 ARG 64 HH11 ARG 64 -4.063 -3.758 -13.236 501 2HH1 ARG 64 HH12 ARG 64 -4.278 -3.386 -14.911 502 1HH2 ARG 64 HH21 ARG 64 -1.134 -4.497 -15.847 503 2HH2 ARG 64 HH22 ARG 64 -2.625 -3.801 -16.389 504 H ALA 65 HN ALA 65 -3.309 -9.260 -10.300 505 HA ALA 65 HA ALA 65 -5.871 -9.422 -9.243 506 1HB ALA 65 HB1 ALA 65 -4.823 -11.304 -10.288 507 2HB ALA 65 HB2 ALA 65 -5.083 -11.796 -8.614 508 3HB ALA 65 HB3 ALA 65 -3.482 -11.280 -9.143 509 H VAL 66 HN VAL 66 -2.806 -9.668 -7.425 510 HA VAL 66 HA VAL 66 -3.911 -10.096 -4.839 511 HB VAL 66 HB VAL 66 -1.387 -8.769 -5.861 512 1HG1 VAL 66 HG11 VAL 66 -2.117 -9.677 -3.059 513 2HG1 VAL 66 HG12 VAL 66 -1.652 -8.052 -3.565 514 3HG1 VAL 66 HG13 VAL 66 -0.463 -9.355 -3.580 515 1HG2 VAL 66 HG21 VAL 66 -1.199 -11.386 -4.598 516 2HG2 VAL 66 HG22 VAL 66 -0.637 -10.875 -6.188 517 3HG2 VAL 66 HG23 VAL 66 -2.306 -11.401 -5.967 518 H VAL 67 HN VAL 67 -3.135 -7.046 -6.546 519 HA VAL 67 HA VAL 67 -3.885 -5.351 -4.317 520 HB VAL 67 HB VAL 67 -3.908 -4.649 -7.260 521 1HG1 VAL 67 HG11 VAL 67 -3.389 -3.177 -4.670 522 2HG1 VAL 67 HG12 VAL 67 -4.616 -2.829 -5.889 523 3HG1 VAL 67 HG13 VAL 67 -2.915 -2.516 -6.235 524 1HG2 VAL 67 HG21 VAL 67 -1.721 -5.645 -5.595 525 2HG2 VAL 67 HG22 VAL 67 -1.383 -4.047 -6.257 526 3HG2 VAL 67 HG23 VAL 67 -1.768 -5.385 -7.339 527 H GLN 68 HN GLN 68 -5.622 -6.761 -7.082 528 HA GLN 68 HA GLN 68 -7.999 -5.191 -6.840 529 1HB GLN 68 HB2 GLN 68 -8.779 -6.635 -8.457 530 2HB GLN 68 HB1 GLN 68 -7.078 -7.082 -8.547 531 1HG GLN 68 HG2 GLN 68 -8.089 -9.173 -8.332 532 2HG GLN 68 HG1 GLN 68 -7.733 -8.794 -6.652 533 1HE2 GLN 68 HE21 GLN 68 -9.480 -9.422 -5.394 534 2HE2 GLN 68 HE22 GLN 68 -11.110 -9.164 -5.792 535 H GLN 69 HN GLN 69 -6.820 -8.069 -5.132 536 HA GLN 69 HA GLN 69 -9.235 -8.660 -3.692 537 1HB GLN 69 HB2 GLN 69 -6.280 -9.133 -3.310 538 2HB GLN 69 HB1 GLN 69 -7.440 -9.656 -2.090 539 1HG GLN 69 HG2 GLN 69 -7.617 -10.409 -5.016 540 2HG GLN 69 HG1 GLN 69 -6.895 -11.434 -3.775 541 1HE2 GLN 69 HE21 GLN 69 -8.643 -11.170 -1.639 542 2HE2 GLN 69 HE22 GLN 69 -10.197 -11.698 -2.072 543 H LEU 70 HN LEU 70 -6.317 -6.754 -2.781 544 HA LEU 70 HA LEU 70 -7.174 -5.855 -0.250 545 1HB LEU 70 HB2 LEU 70 -5.493 -4.744 -2.486 546 2HB LEU 70 HB1 LEU 70 -5.857 -3.707 -1.110 547 HG LEU 70 HG LEU 70 -5.006 -6.413 -0.332 548 1HD1 LEU 70 HD11 LEU 70 -3.653 -5.863 -2.460 549 2HD1 LEU 70 HD12 LEU 70 -2.745 -6.294 -1.011 550 3HD1 LEU 70 HD13 LEU 70 -2.890 -4.604 -1.488 551 1HD2 LEU 70 HD21 LEU 70 -5.189 -3.977 0.880 552 2HD2 LEU 70 HD22 LEU 70 -3.477 -3.998 0.455 553 3HD2 LEU 70 HD23 LEU 70 -4.152 -5.278 1.462 554 H CYS 71 HN CYS 71 -7.822 -4.435 -3.474 555 HA CYS 71 HA CYS 71 -9.637 -2.382 -2.517 556 1HB CYS 71 HB2 CYS 71 -9.151 -3.723 -5.197 557 2HB CYS 71 HB1 CYS 71 -10.201 -2.321 -4.993 558 HG CYS 71 HG CYS 71 -7.253 -2.073 -4.042 559 H PHE 72 HN PHE 72 -10.004 -5.668 -3.763 560 HA PHE 72 HA PHE 72 -12.829 -5.793 -4.073 561 1HB PHE 72 HB2 PHE 72 -11.071 -7.388 -4.864 562 2HB PHE 72 HB1 PHE 72 -10.834 -7.906 -3.199 563 HD1 PHE 72 HD1 PHE 72 -12.463 -9.318 -2.077 564 HD2 PHE 72 HD2 PHE 72 -13.128 -7.915 -6.082 565 HE1 PHE 72 HE1 PHE 72 -14.278 -10.985 -2.360 566 HE2 PHE 72 HE2 PHE 72 -14.952 -9.579 -6.360 567 HZ PHE 72 HZ PHE 72 -15.522 -11.115 -4.498 568 H GLU 73 HN GLU 73 -10.798 -6.777 -1.290 569 HA GLU 73 HA GLU 73 -13.090 -7.299 0.423 570 1HB GLU 73 HB2 GLU 73 -10.188 -6.825 1.167 571 2HB GLU 73 HB1 GLU 73 -11.373 -7.791 2.045 572 1HG GLU 73 HG2 GLU 73 -11.534 -9.099 -0.250 573 2HG GLU 73 HG1 GLU 73 -9.923 -8.426 -0.499 574 H GLY 74 HN GLY 74 -11.513 -4.471 -0.623 575 1HA GLY 74 HA2 GLY 74 -12.379 -2.276 -0.074 576 2HA GLY 74 HA1 GLY 74 -12.910 -2.905 1.483 577 H VAL 75 HN VAL 75 -9.842 -4.085 0.954 578 HA VAL 75 HA VAL 75 -8.657 -2.395 2.986 579 HB VAL 75 HB VAL 75 -7.247 -4.214 1.020 580 1HG1 VAL 75 HG11 VAL 75 -6.819 -3.889 3.987 581 2HG1 VAL 75 HG12 VAL 75 -6.036 -2.830 2.817 582 3HG1 VAL 75 HG13 VAL 75 -5.710 -4.563 2.794 583 1HG2 VAL 75 HG21 VAL 75 -9.371 -4.862 2.938 584 2HG2 VAL 75 HG22 VAL 75 -7.886 -5.772 3.222 585 3HG2 VAL 75 HG23 VAL 75 -8.683 -5.850 1.651 586 H VAL 76 HN VAL 76 -8.814 -0.219 2.062 587 HA VAL 76 HA VAL 76 -7.047 0.250 -0.317 588 HB VAL 76 HB VAL 76 -9.136 2.095 0.872 589 1HG1 VAL 76 HG11 VAL 76 -8.913 2.266 -1.958 590 2HG1 VAL 76 HG12 VAL 76 -7.270 2.248 -1.317 591 3HG1 VAL 76 HG13 VAL 76 -8.418 3.467 -0.765 592 1HG2 VAL 76 HG21 VAL 76 -10.617 1.158 -0.973 593 2HG2 VAL 76 HG22 VAL 76 -10.309 0.053 0.368 594 3HG2 VAL 76 HG23 VAL 76 -9.436 -0.138 -1.153 595 H VAL 77 HN VAL 77 -5.106 1.110 0.186 596 HA VAL 77 HA VAL 77 -4.872 2.999 2.505 597 HB VAL 77 HB VAL 77 -2.792 1.758 3.099 598 1HG1 VAL 77 HG11 VAL 77 -4.830 -0.400 2.944 599 2HG1 VAL 77 HG12 VAL 77 -5.322 1.095 3.744 600 3HG1 VAL 77 HG13 VAL 77 -3.924 0.197 4.334 601 1HG2 VAL 77 HG21 VAL 77 -3.160 -0.683 1.742 602 2HG2 VAL 77 HG22 VAL 77 -1.876 0.492 1.462 603 3HG2 VAL 77 HG23 VAL 77 -3.353 0.560 0.506 604 HA PRO 78 HA PRO 78 -2.229 5.345 -0.174 605 1HB PRO 78 HB2 PRO 78 -0.098 5.923 1.470 606 2HB PRO 78 HB1 PRO 78 -1.668 6.744 1.605 607 1HG PRO 78 HG2 PRO 78 -0.604 4.435 3.175 608 2HG PRO 78 HG1 PRO 78 -1.441 5.890 3.750 609 1HD PRO 78 HD2 PRO 78 -2.761 3.580 3.495 610 2HD PRO 78 HD1 PRO 78 -3.535 5.121 3.047 611 H ALA 79 HN ALA 79 -1.779 3.470 -1.496 612 HA ALA 79 HA ALA 79 0.508 1.772 -0.726 613 1HB ALA 79 HB1 ALA 79 -0.388 0.304 -2.342 614 2HB ALA 79 HB2 ALA 79 -1.200 1.615 -3.199 615 3HB ALA 79 HB3 ALA 79 -1.802 1.081 -1.629 616 H ILE 80 HN ILE 80 2.519 2.201 -1.450 617 HA ILE 80 HA ILE 80 2.902 4.090 -3.718 618 HB ILE 80 HB ILE 80 4.929 2.738 -1.907 619 1HG1 ILE 80 HG12 ILE 80 3.682 5.475 -1.530 620 2HG1 ILE 80 HG11 ILE 80 3.088 4.036 -0.701 621 1HG2 ILE 80 HG21 ILE 80 5.058 5.371 -3.406 622 2HG2 ILE 80 HG22 ILE 80 5.718 3.862 -4.032 623 3HG2 ILE 80 HG23 ILE 80 6.377 4.564 -2.556 624 1HD1 ILE 80 HD11 ILE 80 6.001 4.801 -0.587 625 2HD1 ILE 80 HD12 ILE 80 5.092 3.756 0.505 626 3HD1 ILE 80 HD13 ILE 80 4.830 5.500 0.531 627 H VAL 81 HN VAL 81 3.233 3.278 -5.729 628 HA VAL 81 HA VAL 81 3.921 0.387 -6.025 629 HB VAL 81 HB VAL 81 2.763 2.420 -7.962 630 1HG1 VAL 81 HG11 VAL 81 3.716 -0.293 -8.263 631 2HG1 VAL 81 HG12 VAL 81 3.083 0.801 -9.493 632 3HG1 VAL 81 HG13 VAL 81 1.980 -0.220 -8.571 633 1HG2 VAL 81 HG21 VAL 81 1.094 2.229 -6.350 634 2HG2 VAL 81 HG22 VAL 81 1.569 0.590 -5.907 635 3HG2 VAL 81 HG23 VAL 81 0.682 0.875 -7.403 636 H VAL 82 HN VAL 82 5.756 -0.226 -7.139 637 HA VAL 82 HA VAL 82 7.714 1.915 -7.820 638 HB VAL 82 HB VAL 82 8.060 -1.081 -7.535 639 1HG1 VAL 82 HG11 VAL 82 10.149 -0.541 -8.208 640 2HG1 VAL 82 HG12 VAL 82 10.333 0.260 -6.648 641 3HG1 VAL 82 HG13 VAL 82 9.830 1.188 -8.061 642 1HG2 VAL 82 HG21 VAL 82 9.004 0.022 -5.214 643 2HG2 VAL 82 HG22 VAL 82 7.401 -0.691 -5.386 644 3HG2 VAL 82 HG23 VAL 82 7.612 1.053 -5.541 645 H GLY 83 HN GLY 83 8.707 2.004 -9.867 646 1HA GLY 83 HA2 GLY 83 9.224 1.018 -12.057 647 2HA GLY 83 HA1 GLY 83 7.711 0.114 -11.949 648 H ASP 84 HN ASP 84 7.426 1.200 -14.167 649 HA ASP 84 HA ASP 84 6.283 2.802 -15.477 650 1HB ASP 84 HB2 ASP 84 5.288 3.574 -12.713 651 2HB ASP 84 HB1 ASP 84 4.543 4.060 -14.234 652 H ARG 85 HN ARG 85 8.861 3.534 -15.198 653 HA ARG 85 HA ARG 85 9.542 5.888 -13.822 654 1HB ARG 85 HB2 ARG 85 10.350 4.830 -16.545 655 2HB ARG 85 HB1 ARG 85 11.218 6.101 -15.682 656 1HG ARG 85 HG2 ARG 85 11.526 4.565 -13.758 657 2HG ARG 85 HG1 ARG 85 10.717 3.290 -14.669 658 1HD ARG 85 HD2 ARG 85 12.471 3.216 -16.307 659 2HD ARG 85 HD1 ARG 85 13.193 4.714 -15.687 660 HE ARG 85 HE ARG 85 12.927 2.558 -13.704 661 1HH1 ARG 85 HH11 ARG 85 14.868 4.121 -16.101 662 2HH1 ARG 85 HH12 ARG 85 16.366 3.626 -15.393 663 1HH2 ARG 85 HH21 ARG 85 14.877 1.901 -12.781 664 2HH2 ARG 85 HH22 ARG 85 16.373 2.364 -13.522 665 H ASP 86 HN ASP 86 10.166 7.951 -15.427 666 HA ASP 86 HA ASP 86 7.710 9.334 -15.869 667 1HB ASP 86 HB2 ASP 86 10.551 9.779 -16.023 668 2HB ASP 86 HB1 ASP 86 9.777 10.482 -17.446 669 H SER 87 HN SER 87 6.313 9.211 -17.559 670 HA SER 87 HA SER 87 7.346 8.363 -20.238 671 1HB SER 87 HB2 SER 87 5.087 7.069 -20.315 672 2HB SER 87 HB1 SER 87 6.398 6.382 -19.361 673 HG SER 87 HG SER 87 4.368 6.474 -18.246 674 H GLU 88 HN GLU 88 7.101 10.449 -21.136 675 HA GLU 88 HA GLU 88 4.953 12.257 -20.667 676 1HB GLU 88 HB2 GLU 88 5.906 13.419 -22.528 677 2HB GLU 88 HB1 GLU 88 7.250 12.561 -21.773 678 1HG GLU 88 HG2 GLU 88 6.945 10.703 -23.413 679 2HG GLU 88 HG1 GLU 88 5.685 11.649 -24.208 680 H ASP 89 HN ASP 89 5.346 9.737 -23.171 681 HA ASP 89 HA ASP 89 2.724 10.353 -24.361 682 1HB ASP 89 HB2 ASP 89 4.750 8.135 -24.819 683 2HB ASP 89 HB1 ASP 89 3.377 8.491 -25.867 684 HA PRO 90 HA PRO 90 0.578 7.551 -21.701 685 1HB PRO 90 HB2 PRO 90 -1.732 7.328 -23.142 686 2HB PRO 90 HB1 PRO 90 -1.328 8.773 -22.196 687 1HG PRO 90 HG2 PRO 90 -1.127 8.308 -25.123 688 2HG PRO 90 HG1 PRO 90 -1.579 9.774 -24.239 689 1HD PRO 90 HD2 PRO 90 0.890 9.348 -25.365 690 2HD PRO 90 HD1 PRO 90 0.588 10.449 -24.003 691 H ASP 91 HN ASP 91 1.446 6.922 -24.970 692 HA ASP 91 HA ASP 91 0.365 4.450 -25.641 693 1HB ASP 91 HB2 ASP 91 3.147 5.610 -25.867 694 2HB ASP 91 HB1 ASP 91 2.728 4.072 -26.618 695 H GLU 92 HN GLU 92 3.067 5.067 -23.386 696 HA GLU 92 HA GLU 92 3.566 2.268 -22.828 697 1HB GLU 92 HB2 GLU 92 4.237 4.852 -21.392 698 2HB GLU 92 HB1 GLU 92 4.882 3.277 -20.930 699 1HG GLU 92 HG2 GLU 92 6.462 3.438 -22.515 700 2HG GLU 92 HG1 GLU 92 5.215 3.587 -23.753 701 HA PRO 93 HA PRO 93 0.364 1.370 -19.957 702 1HB PRO 93 HB2 PRO 93 1.665 -0.566 -18.520 703 2HB PRO 93 HB1 PRO 93 1.036 -0.836 -20.160 704 1HG PRO 93 HG2 PRO 93 3.813 -0.152 -19.288 705 2HG PRO 93 HG1 PRO 93 3.273 -1.364 -20.464 706 1HD PRO 93 HD2 PRO 93 4.239 1.007 -21.245 707 2HD PRO 93 HD1 PRO 93 2.904 0.216 -22.116 708 H ALA 94 HN ALA 94 1.302 3.725 -19.115 709 HA ALA 94 HA ALA 94 2.502 3.407 -16.405 710 1HB ALA 94 HB1 ALA 94 2.741 5.260 -18.485 711 2HB ALA 94 HB2 ALA 94 3.342 5.473 -16.840 712 3HB ALA 94 HB3 ALA 94 1.753 6.096 -17.285 713 H LYS 95 HN LYS 95 -0.306 2.611 -17.194 714 HA LYS 95 HA LYS 95 -2.197 4.485 -16.119 715 1HB LYS 95 HB2 LYS 95 -3.682 2.522 -16.221 716 2HB LYS 95 HB1 LYS 95 -2.670 2.594 -17.664 717 1HG LYS 95 HG2 LYS 95 -1.065 1.105 -16.091 718 2HG LYS 95 HG1 LYS 95 -2.629 0.644 -15.419 719 1HD LYS 95 HD2 LYS 95 -3.364 0.306 -17.879 720 2HD LYS 95 HD1 LYS 95 -1.640 0.329 -18.248 721 1HE LYS 95 HE2 LYS 95 -1.757 -1.404 -16.093 722 2HE LYS 95 HE1 LYS 95 -3.233 -1.795 -17.001 723 1HZ LYS 95 HZ1 LYS 95 -0.456 -1.652 -18.044 724 2HZ LYS 95 HZ2 LYS 95 -1.826 -1.733 -19.047 725 3HZ LYS 95 HZ3 LYS 95 -1.467 -3.015 -17.992 726 H GLU 96 HN GLU 96 -3.299 4.334 -14.041 727 HA GLU 96 HA GLU 96 -1.536 3.264 -11.878 728 1HB GLU 96 HB2 GLU 96 -2.516 5.033 -10.528 729 2HB GLU 96 HB1 GLU 96 -2.000 5.723 -12.063 730 1HG GLU 96 HG2 GLU 96 -4.798 4.690 -11.880 731 2HG GLU 96 HG1 GLU 96 -4.428 6.211 -11.070 732 H GLN 97 HN GLN 97 -3.833 1.859 -13.443 733 HA GLN 97 HA GLN 97 -5.962 1.449 -11.506 734 1HB GLN 97 HB2 GLN 97 -6.765 -0.085 -13.145 735 2HB GLN 97 HB1 GLN 97 -5.939 1.170 -14.070 736 1HG GLN 97 HG2 GLN 97 -3.880 -0.259 -14.063 737 2HG GLN 97 HG1 GLN 97 -4.819 -1.535 -13.288 738 1HE2 GLN 97 HE21 GLN 97 -6.216 -2.789 -14.600 739 2HE2 GLN 97 HE22 GLN 97 -6.402 -2.547 -16.270 740 H LEU 98 HN LEU 98 -2.773 0.504 -11.401 741 HA LEU 98 HA LEU 98 -2.791 -2.242 -10.725 742 1HB LEU 98 HB2 LEU 98 -1.115 0.060 -9.656 743 2HB LEU 98 HB1 LEU 98 -0.672 -1.646 -9.568 744 HG LEU 98 HG LEU 98 -1.174 -0.111 -12.140 745 1HD1 LEU 98 HD11 LEU 98 0.889 0.711 -11.484 746 2HD1 LEU 98 HD12 LEU 98 1.395 -0.764 -12.309 747 3HD1 LEU 98 HD13 LEU 98 1.285 -0.731 -10.549 748 1HD2 LEU 98 HD21 LEU 98 -0.426 -2.959 -11.484 749 2HD2 LEU 98 HD22 LEU 98 0.028 -2.241 -13.029 750 3HD2 LEU 98 HD23 LEU 98 -1.674 -2.374 -12.584 751 H TYR 99 HN TYR 99 -3.605 0.646 -8.926 752 HA TYR 99 HA TYR 99 -4.844 -1.042 -6.839 753 1HB TYR 99 HB2 TYR 99 -2.396 -0.205 -6.349 754 2HB TYR 99 HB1 TYR 99 -3.180 1.344 -6.053 755 HD1 TYR 99 HD1 TYR 99 -1.683 -0.224 -3.933 756 HD2 TYR 99 HD2 TYR 99 -5.827 -0.270 -5.085 757 HE1 TYR 99 HE1 TYR 99 -2.310 -0.955 -1.649 758 HE2 TYR 99 HE2 TYR 99 -6.443 -0.993 -2.787 759 HH TYR 99 HH TYR 99 -4.421 -0.785 -0.186 760 H HIS 100 HN HIS 100 -4.977 1.837 -5.426 761 HA HIS 100 HA HIS 100 -7.471 2.578 -6.872 762 1HB HIS 100 HB2 HIS 100 -7.848 3.928 -4.778 763 2HB HIS 100 HB1 HIS 100 -7.656 2.203 -4.494 764 HD2 HIS 100 HD2 HIS 100 -5.333 1.484 -3.037 765 HE1 HIS 100 HE1 HIS 100 -3.925 5.415 -2.427 766 HE2 HIS 100 HE2 HIS 100 -3.627 2.997 -1.822 767 H SER 101 HN SER 101 -7.863 5.096 -6.863 768 HA SER 101 HA SER 101 -5.904 6.286 -8.585 769 1HB SER 101 HB2 SER 101 -7.454 8.099 -8.612 770 2HB SER 101 HB1 SER 101 -8.430 6.654 -8.365 771 HG SER 101 HG SER 101 -8.761 8.563 -6.923 772 H ALA 102 HN ALA 102 -6.049 6.157 -5.129 773 HA ALA 102 HA ALA 102 -4.494 8.642 -4.764 774 1HB ALA 102 HB1 ALA 102 -6.175 6.888 -3.231 775 2HB ALA 102 HB2 ALA 102 -5.585 8.495 -2.803 776 3HB ALA 102 HB3 ALA 102 -4.631 7.071 -2.401 777 H GLU 103 HN GLU 103 -3.887 5.186 -4.999 778 HA GLU 103 HA GLU 103 -1.502 4.758 -3.667 779 1HB GLU 103 HB2 GLU 103 -1.159 3.041 -5.317 780 2HB GLU 103 HB1 GLU 103 -2.905 3.243 -5.164 781 1HG GLU 103 HG2 GLU 103 -2.863 4.782 -7.128 782 2HG GLU 103 HG1 GLU 103 -1.141 4.457 -7.314 783 H LEU 104 HN LEU 104 0.650 5.387 -3.942 784 HA LEU 104 HA LEU 104 1.191 7.441 -6.035 785 1HB LEU 104 HB2 LEU 104 2.172 6.772 -3.303 786 2HB LEU 104 HB1 LEU 104 3.343 7.488 -4.414 787 HG LEU 104 HG LEU 104 1.691 9.311 -4.888 788 1HD1 LEU 104 HD11 LEU 104 0.099 7.606 -3.065 789 2HD1 LEU 104 HD12 LEU 104 -0.440 8.703 -4.334 790 3HD1 LEU 104 HD13 LEU 104 0.003 9.339 -2.750 791 1HD2 LEU 104 HD21 LEU 104 2.111 9.214 -1.920 792 2HD2 LEU 104 HD22 LEU 104 2.339 10.562 -3.034 793 3HD2 LEU 104 HD23 LEU 104 3.515 9.248 -2.986 794 H HIS 105 HN HIS 105 3.346 7.305 -7.109 795 HA HIS 105 HA HIS 105 4.195 4.455 -7.531 796 1HB HIS 105 HB2 HIS 105 4.380 6.753 -9.494 797 2HB HIS 105 HB1 HIS 105 4.442 5.024 -9.842 798 HD1 HIS 105 HD1 HIS 105 2.232 7.494 -10.581 799 HD2 HIS 105 HD2 HIS 105 1.724 4.033 -8.316 800 HE1 HIS 105 HE1 HIS 105 -0.257 7.041 -10.516 801 H LEU 106 HN LEU 106 6.465 4.089 -7.738 802 HA LEU 106 HA LEU 106 8.247 6.432 -7.182 803 1HB LEU 106 HB2 LEU 106 7.717 5.251 -5.095 804 2HB LEU 106 HB1 LEU 106 8.205 3.720 -5.821 805 HG LEU 106 HG LEU 106 10.502 4.565 -6.081 806 1HD1 LEU 106 HD11 LEU 106 9.230 7.078 -5.023 807 2HD1 LEU 106 HD12 LEU 106 10.324 6.885 -6.393 808 3HD1 LEU 106 HD13 LEU 106 10.945 6.771 -4.746 809 1HD2 LEU 106 HD21 LEU 106 9.815 5.255 -3.252 810 2HD2 LEU 106 HD22 LEU 106 11.095 4.214 -3.870 811 3HD2 LEU 106 HD23 LEU 106 9.432 3.633 -3.827 812 H GLY 107 HN GLY 107 9.970 6.454 -8.600 813 1HA GLY 107 HA2 GLY 107 10.291 4.618 -10.710 814 2HA GLY 107 HA1 GLY 107 11.586 5.664 -10.120 815 H ILE 108 HN ILE 108 11.849 2.885 -11.008 816 HA ILE 108 HA ILE 108 12.033 1.058 -8.829 817 HB ILE 108 HB ILE 108 13.578 1.246 -11.438 818 1HG1 ILE 108 HG12 ILE 108 11.159 1.415 -11.848 819 2HG1 ILE 108 HG11 ILE 108 11.730 -0.184 -12.320 820 1HG2 ILE 108 HG21 ILE 108 13.056 -0.874 -9.404 821 2HG2 ILE 108 HG22 ILE 108 14.551 -0.487 -10.258 822 3HG2 ILE 108 HG23 ILE 108 13.246 -1.330 -11.096 823 1HD1 ILE 108 HD11 ILE 108 11.098 -0.906 -9.921 824 2HD1 ILE 108 HD12 ILE 108 9.783 -0.632 -11.064 825 3HD1 ILE 108 HD13 ILE 108 10.173 0.595 -9.860 826 H HIS 109 HN HIS 109 14.580 3.002 -10.443 827 HA HIS 109 HA HIS 109 16.628 2.258 -8.507 828 1HB HIS 109 HB2 HIS 109 17.983 3.755 -9.833 829 2HB HIS 109 HB1 HIS 109 16.907 2.921 -10.956 830 HD1 HIS 109 HD1 HIS 109 18.085 6.194 -10.293 831 HD2 HIS 109 HD2 HIS 109 14.324 4.645 -11.203 832 HE1 HIS 109 HE1 HIS 109 16.676 8.144 -11.087 833 H GLN 110 HN GLN 110 13.983 4.317 -8.356 834 HA GLN 110 HA GLN 110 15.335 6.374 -6.711 835 1HB GLN 110 HB2 GLN 110 12.691 6.008 -8.068 836 2HB GLN 110 HB1 GLN 110 12.809 7.172 -6.747 837 1HG GLN 110 HG2 GLN 110 14.610 8.348 -7.872 838 2HG GLN 110 HG1 GLN 110 14.662 7.128 -9.144 839 1HE2 GLN 110 HE21 GLN 110 12.211 9.314 -7.618 840 2HE2 GLN 110 HE22 GLN 110 11.444 9.704 -9.082 841 H LEU 111 HN LEU 111 14.921 3.518 -5.763 842 HA LEU 111 HA LEU 111 12.844 3.623 -3.741 843 1HB LEU 111 HB2 LEU 111 15.211 1.887 -4.412 844 2HB LEU 111 HB1 LEU 111 14.383 1.651 -2.878 845 HG LEU 111 HG LEU 111 13.651 0.581 -5.385 846 1HD1 LEU 111 HD11 LEU 111 12.972 0.365 -2.635 847 2HD1 LEU 111 HD12 LEU 111 12.646 -0.787 -3.930 848 3HD1 LEU 111 HD13 LEU 111 11.467 0.467 -3.546 849 1HD2 LEU 111 HD21 LEU 111 11.392 2.353 -4.467 850 2HD2 LEU 111 HD22 LEU 111 11.580 1.508 -6.001 851 3HD2 LEU 111 HD23 LEU 111 12.548 2.940 -5.662 852 H GLU 112 HN GLU 112 12.987 5.241 -2.369 853 HA GLU 112 HA GLU 112 14.739 5.323 -0.153 854 1HB GLU 112 HB2 GLU 112 16.137 7.306 -0.898 855 2HB GLU 112 HB1 GLU 112 16.495 5.820 -1.778 856 1HG GLU 112 HG2 GLU 112 14.869 6.543 -3.539 857 2HG GLU 112 HG1 GLU 112 14.710 8.083 -2.692 858 H GLN 113 HN GLN 113 12.719 7.006 -2.481 859 HA GLN 113 HA GLN 113 12.007 9.229 -0.693 860 1HB GLN 113 HB2 GLN 113 10.983 8.161 -3.339 861 2HB GLN 113 HB1 GLN 113 10.344 9.614 -2.572 862 1HG GLN 113 HG2 GLN 113 12.547 10.663 -2.624 863 2HG GLN 113 HG1 GLN 113 13.261 9.190 -3.280 864 1HE2 GLN 113 HE21 GLN 113 13.896 10.787 -5.087 865 2HE2 GLN 113 HE22 GLN 113 12.778 11.028 -6.341 866 H LEU 114 HN LEU 114 11.176 5.962 -0.889 867 HA LEU 114 HA LEU 114 8.488 5.597 -0.576 868 1HB LEU 114 HB2 LEU 114 10.828 4.553 1.017 869 2HB LEU 114 HB1 LEU 114 9.203 3.901 1.205 870 HG LEU 114 HG LEU 114 9.559 3.979 -1.551 871 1HD1 LEU 114 HD11 LEU 114 11.703 3.405 -2.122 872 2HD1 LEU 114 HD12 LEU 114 11.986 2.545 -0.609 873 3HD1 LEU 114 HD13 LEU 114 12.086 4.303 -0.654 874 1HD2 LEU 114 HD21 LEU 114 9.778 1.480 -1.276 875 2HD2 LEU 114 HD22 LEU 114 8.444 2.189 -0.367 876 3HD2 LEU 114 HD23 LEU 114 9.935 1.742 0.461 877 HA PRO 115 HA PRO 115 8.573 7.004 4.028 878 1HB PRO 115 HB2 PRO 115 10.550 8.781 4.717 879 2HB PRO 115 HB1 PRO 115 10.685 7.029 4.950 880 1HG PRO 115 HG2 PRO 115 11.743 8.709 2.715 881 2HG PRO 115 HG1 PRO 115 12.548 7.416 3.624 882 1HD PRO 115 HD2 PRO 115 11.532 6.945 1.212 883 2HD PRO 115 HD1 PRO 115 11.404 5.731 2.499 884 H TYR 116 HN TYR 116 10.177 9.619 2.110 885 HA TYR 116 HA TYR 116 8.239 11.602 2.834 886 1HB TYR 116 HB2 TYR 116 9.752 12.849 1.718 887 2HB TYR 116 HB1 TYR 116 10.599 11.371 1.288 888 HD1 TYR 116 HD1 TYR 116 11.087 11.170 -0.944 889 HD2 TYR 116 HD2 TYR 116 7.438 13.120 0.204 890 HE1 TYR 116 HE1 TYR 116 10.542 11.546 -3.334 891 HE2 TYR 116 HE2 TYR 116 6.887 13.495 -2.186 892 HH TYR 116 HH TYR 116 8.943 12.202 -4.776 893 H GLN 117 HN GLN 117 8.287 9.079 0.384 894 HA GLN 117 HA GLN 117 5.957 10.008 -1.084 895 1HB GLN 117 HB2 GLN 117 7.476 7.406 -0.790 896 2HB GLN 117 HB1 GLN 117 6.022 7.507 -1.783 897 1HG GLN 117 HG2 GLN 117 8.396 9.359 -2.123 898 2HG GLN 117 HG1 GLN 117 8.190 7.871 -3.046 899 1HE2 GLN 117 HE21 GLN 117 8.188 10.536 -4.242 900 2HE2 GLN 117 HE22 GLN 117 6.646 10.794 -4.902 901 H VAL 118 HN VAL 118 6.555 7.691 1.534 902 HA VAL 118 HA VAL 118 3.937 6.683 1.926 903 HB VAL 118 HB VAL 118 6.420 7.122 3.550 904 1HG1 VAL 118 HG11 VAL 118 5.323 6.075 5.536 905 2HG1 VAL 118 HG12 VAL 118 3.762 6.264 4.737 906 3HG1 VAL 118 HG13 VAL 118 4.704 7.687 5.186 907 1HG2 VAL 118 HG21 VAL 118 5.980 4.599 3.895 908 2HG2 VAL 118 HG22 VAL 118 6.409 5.128 2.269 909 3HG2 VAL 118 HG23 VAL 118 4.730 4.785 2.668 910 H ASP 119 HN ASP 119 5.521 9.468 3.551 911 HA ASP 119 HA ASP 119 3.253 10.367 5.012 912 1HB ASP 119 HB2 ASP 119 5.604 11.827 3.761 913 2HB ASP 119 HB1 ASP 119 4.535 12.533 4.974 914 H ALA 120 HN ALA 120 4.362 11.091 1.709 915 HA ALA 120 HA ALA 120 2.262 13.000 1.098 916 1HB ALA 120 HB1 ALA 120 4.598 12.480 -0.007 917 2HB ALA 120 HB2 ALA 120 3.256 12.978 -1.039 918 3HB ALA 120 HB3 ALA 120 3.689 11.274 -0.920 919 H ALA 121 HN ALA 121 2.726 9.519 0.601 920 HA ALA 121 HA ALA 121 0.385 9.007 -0.948 921 1HB ALA 121 HB1 ALA 121 2.554 7.622 -0.195 922 2HB ALA 121 HB2 ALA 121 1.073 6.810 -0.692 923 3HB ALA 121 HB3 ALA 121 1.430 7.014 1.022 924 H LEU 122 HN LEU 122 0.923 9.034 2.588 925 HA LEU 122 HA LEU 122 -1.652 8.060 3.355 926 1HB LEU 122 HB2 LEU 122 0.190 10.059 4.711 927 2HB LEU 122 HB1 LEU 122 -1.059 9.101 5.508 928 HG LEU 122 HG LEU 122 0.965 7.639 3.877 929 1HD1 LEU 122 HD11 LEU 122 2.743 8.120 5.186 930 2HD1 LEU 122 HD12 LEU 122 1.786 7.967 6.659 931 3HD1 LEU 122 HD13 LEU 122 1.809 9.494 5.778 932 1HD2 LEU 122 HD21 LEU 122 0.392 6.650 6.530 933 2HD2 LEU 122 HD22 LEU 122 0.028 5.908 4.973 934 3HD2 LEU 122 HD23 LEU 122 -1.111 7.042 5.698 935 H ALA 123 HN ALA 123 -0.453 11.433 3.072 936 HA ALA 123 HA ALA 123 -2.980 12.700 3.543 937 1HB ALA 123 HB1 ALA 123 -1.460 14.289 1.775 938 2HB ALA 123 HB2 ALA 123 -0.274 13.345 2.677 939 3HB ALA 123 HB3 ALA 123 -1.428 14.361 3.538 940 H GLU 124 HN GLU 124 -1.368 11.559 0.589 941 HA GLU 124 HA GLU 124 -3.247 12.533 -1.327 942 1HB GLU 124 HB2 GLU 124 -0.929 11.511 -1.648 943 2HB GLU 124 HB1 GLU 124 -1.687 9.935 -1.413 944 1HG GLU 124 HG2 GLU 124 -1.569 10.403 -3.800 945 2HG GLU 124 HG1 GLU 124 -3.255 10.455 -3.283 946 H PHE 125 HN PHE 125 -3.123 9.471 0.509 947 HA PHE 125 HA PHE 125 -5.358 8.197 -0.703 948 1HB PHE 125 HB2 PHE 125 -3.627 7.222 0.846 949 2HB PHE 125 HB1 PHE 125 -4.440 8.039 2.184 950 HD1 PHE 125 HD1 PHE 125 -6.701 7.376 2.889 951 HD2 PHE 125 HD2 PHE 125 -4.666 5.344 -0.304 952 HE1 PHE 125 HE1 PHE 125 -8.365 5.541 2.995 953 HE2 PHE 125 HE2 PHE 125 -6.328 3.511 -0.198 954 HZ PHE 125 HZ PHE 125 -8.178 3.607 1.451 955 H LEU 126 HN LEU 126 -5.192 10.456 2.063 956 HA LEU 126 HA LEU 126 -8.009 10.309 2.701 957 1HB LEU 126 HB2 LEU 126 -5.956 12.502 3.166 958 2HB LEU 126 HB1 LEU 126 -7.464 12.290 4.051 959 HG LEU 126 HG LEU 126 -5.123 10.370 4.007 960 1HD1 LEU 126 HD11 LEU 126 -4.762 11.007 6.252 961 2HD1 LEU 126 HD12 LEU 126 -6.355 11.750 6.389 962 3HD1 LEU 126 HD13 LEU 126 -5.097 12.536 5.436 963 1HD2 LEU 126 HD21 LEU 126 -7.789 10.173 5.442 964 2HD2 LEU 126 HD22 LEU 126 -6.457 9.026 5.573 965 3HD2 LEU 126 HD23 LEU 126 -7.319 9.203 4.046 966 H ARG 127 HN ARG 127 -6.054 12.148 0.454 967 HA ARG 127 HA ARG 127 -7.832 14.260 -0.220 968 1HB ARG 127 HB2 ARG 127 -5.331 13.316 -0.929 969 2HB ARG 127 HB1 ARG 127 -6.259 13.101 -2.413 970 1HG ARG 127 HG2 ARG 127 -6.004 15.665 -0.818 971 2HG ARG 127 HG1 ARG 127 -5.276 15.336 -2.393 972 1HD ARG 127 HD2 ARG 127 -7.500 15.097 -3.406 973 2HD ARG 127 HD1 ARG 127 -8.262 15.358 -1.825 974 HE ARG 127 HE ARG 127 -6.406 17.488 -2.457 975 1HH1 ARG 127 HH11 ARG 127 -9.562 16.207 -3.046 976 2HH1 ARG 127 HH12 ARG 127 -10.249 17.741 -3.458 977 1HH2 ARG 127 HH21 ARG 127 -7.305 19.498 -3.000 978 2HH2 ARG 127 HH22 ARG 127 -8.976 19.592 -3.443 979 H LEU 128 HN LEU 128 -7.590 10.933 -1.494 980 HA LEU 128 HA LEU 128 -9.991 11.436 -3.188 981 1HB LEU 128 HB2 LEU 128 -7.863 9.281 -3.051 982 2HB LEU 128 HB1 LEU 128 -9.295 9.118 -4.064 983 HG LEU 128 HG LEU 128 -7.659 10.029 -5.515 984 1HD1 LEU 128 HD11 LEU 128 -9.860 11.271 -5.463 985 2HD1 LEU 128 HD12 LEU 128 -8.502 12.212 -6.079 986 3HD1 LEU 128 HD13 LEU 128 -9.083 12.474 -4.436 987 1HD2 LEU 128 HD21 LEU 128 -5.875 11.217 -4.799 988 2HD2 LEU 128 HD22 LEU 128 -6.462 10.917 -3.163 989 3HD2 LEU 128 HD23 LEU 128 -6.899 12.408 -3.999 990 H ALA 129 HN ALA 129 -9.571 10.714 -0.081 991 HA ALA 129 HA ALA 129 -11.081 8.243 0.215 992 1HB ALA 129 HB1 ALA 129 -9.727 8.647 2.031 993 2HB ALA 129 HB2 ALA 129 -11.219 9.377 2.629 994 3HB ALA 129 HB3 ALA 129 -9.955 10.394 1.939 995 HA PRO 130 HA PRO 130 -12.559 7.176 0.962 996 1HB PRO 130 HB2 PRO 130 -14.710 6.078 -0.333 997 2HB PRO 130 HB1 PRO 130 -14.756 6.583 1.367 998 1HG PRO 130 HG2 PRO 130 -15.787 7.977 -1.049 999 2HG PRO 130 HG1 PRO 130 -16.472 7.875 0.579 1000 1HD PRO 130 HD2 PRO 130 -15.141 10.058 -0.366 1001 2HD PRO 130 HD1 PRO 130 -15.227 9.621 1.355 1002 H VAL 131 HN VAL 131 -11.047 6.347 -0.449 1003 HA VAL 131 HA VAL 131 -10.729 7.315 -3.126 1004 HB VAL 131 HB VAL 131 -9.678 4.713 -2.000 1005 1HG1 VAL 131 HG11 VAL 131 -7.726 5.280 -3.408 1006 2HG1 VAL 131 HG12 VAL 131 -8.542 6.751 -3.935 1007 3HG1 VAL 131 HG13 VAL 131 -9.200 5.174 -4.371 1008 1HG2 VAL 131 HG21 VAL 131 -8.514 5.845 -0.426 1009 2HG2 VAL 131 HG22 VAL 131 -9.427 7.292 -0.849 1010 3HG2 VAL 131 HG23 VAL 131 -7.892 6.956 -1.647 1011 H GLU 132 HN GLU 132 -10.913 6.059 -5.097 1012 HA GLU 132 HA GLU 132 -13.399 4.432 -5.131 1013 1HB GLU 132 HB2 GLU 132 -11.705 5.845 -7.206 1014 2HB GLU 132 HB1 GLU 132 -13.117 4.872 -7.625 1015 1HG GLU 132 HG2 GLU 132 -14.568 6.302 -6.315 1016 2HG GLU 132 HG1 GLU 132 -13.184 7.196 -5.681 1017 H THR 133 HN THR 133 -12.671 2.335 -4.513 1018 HA THR 133 HA THR 133 -10.491 1.164 -6.178 1019 HB THR 133 HB THR 133 -10.927 -0.649 -4.240 1020 HG1 THR 133 HG1 THR 133 -12.475 0.219 -3.064 1021 1HG2 THR 133 HG21 THR 133 -9.494 1.964 -3.714 1022 2HG2 THR 133 HG22 THR 133 -8.858 0.700 -4.766 1023 3HG2 THR 133 HG23 THR 133 -9.102 0.377 -3.051 1024 H MET 134 HN MET 134 -11.844 0.723 -8.062 1025 HA MET 134 HA MET 134 -14.129 -1.161 -7.666 1026 1HB MET 134 HB2 MET 134 -13.140 0.342 -10.115 1027 2HB MET 134 HB1 MET 134 -14.662 -0.539 -9.984 1028 1HG MET 134 HG2 MET 134 -15.268 0.999 -8.065 1029 2HG MET 134 HG1 MET 134 -13.847 1.958 -8.481 1030 1HE MET 134 HE1 MET 134 -13.865 3.689 -10.849 1031 2HE MET 134 HE2 MET 134 -14.397 2.683 -12.195 1032 3HE MET 134 HE3 MET 134 -13.296 2.020 -10.990 1033 H ALA 135 HN ALA 135 -11.268 -1.982 -7.421 1034 HA ALA 135 HA ALA 135 -9.906 -3.193 -9.401 1035 1HB ALA 135 HB1 ALA 135 -10.870 -4.231 -6.746 1036 2HB ALA 135 HB2 ALA 135 -9.260 -3.663 -7.191 1037 3HB ALA 135 HB3 ALA 135 -9.834 -5.233 -7.758 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -2.515 5.562 19.280 2 2H MET 1 HT2 MET 1 -1.416 6.835 19.051 3 3H MET 1 HT3 MET 1 -0.963 5.244 18.673 4 HA MET 1 HA MET 1 -2.770 5.223 16.951 5 1HB MET 1 HB2 MET 1 -2.733 8.148 17.768 6 2HB MET 1 HB1 MET 1 -3.623 7.508 16.390 7 1HG MET 1 HG2 MET 1 -4.866 5.998 17.949 8 2HG MET 1 HG1 MET 1 -4.037 6.770 19.306 9 1HE MET 1 HE1 MET 1 -5.959 7.061 20.340 10 2HE MET 1 HE2 MET 1 -7.472 7.274 19.463 11 3HE MET 1 HE3 MET 1 -6.779 8.627 20.351 12 H LEU 2 HN LEU 2 -0.957 8.305 17.024 13 HA LEU 2 HA LEU 2 0.378 7.637 14.502 14 1HB LEU 2 HB2 LEU 2 -0.453 9.902 15.161 15 2HB LEU 2 HB1 LEU 2 0.762 9.939 16.437 16 HG LEU 2 HG LEU 2 1.865 9.237 13.808 17 1HD1 LEU 2 HD11 LEU 2 0.310 10.755 12.864 18 2HD1 LEU 2 HD12 LEU 2 1.757 11.725 13.122 19 3HD1 LEU 2 HD13 LEU 2 0.403 11.843 14.249 20 1HD2 LEU 2 HD21 LEU 2 3.620 10.682 14.528 21 2HD2 LEU 2 HD22 LEU 2 3.055 9.884 15.996 22 3HD2 LEU 2 HD23 LEU 2 2.557 11.540 15.644 23 H SER 3 HN SER 3 0.983 6.588 17.555 24 HA SER 3 HA SER 3 3.625 7.077 18.247 25 1HB SER 3 HB2 SER 3 1.996 4.525 18.242 26 2HB SER 3 HB1 SER 3 3.537 4.674 19.085 27 HG SER 3 HG SER 3 1.967 5.218 20.541 28 H GLN 4 HN GLN 4 2.559 4.558 15.942 29 HA GLN 4 HA GLN 4 5.145 4.867 14.505 30 1HB GLN 4 HB2 GLN 4 4.051 2.262 15.635 31 2HB GLN 4 HB1 GLN 4 5.468 2.391 14.588 32 1HG GLN 4 HG2 GLN 4 6.473 3.972 16.282 33 2HG GLN 4 HG1 GLN 4 5.131 3.578 17.355 34 1HE2 GLN 4 HE21 GLN 4 8.282 2.672 16.552 35 2HE2 GLN 4 HE22 GLN 4 8.275 1.104 17.210 36 H ILE 5 HN ILE 5 5.031 3.837 12.318 37 HA ILE 5 HA ILE 5 2.214 3.841 11.305 38 HB ILE 5 HB ILE 5 4.911 4.282 9.981 39 1HG1 ILE 5 HG12 ILE 5 2.642 6.207 10.605 40 2HG1 ILE 5 HG11 ILE 5 4.159 6.108 11.502 41 1HG2 ILE 5 HG21 ILE 5 3.831 4.537 7.948 42 2HG2 ILE 5 HG22 ILE 5 2.287 4.942 8.697 43 3HG2 ILE 5 HG23 ILE 5 2.842 3.269 8.667 44 1HD1 ILE 5 HD11 ILE 5 3.812 7.817 9.447 45 2HD1 ILE 5 HD12 ILE 5 4.381 6.408 8.548 46 3HD1 ILE 5 HD13 ILE 5 5.378 7.101 9.827 47 H ALA 6 HN ALA 6 1.375 1.915 10.521 48 HA ALA 6 HA ALA 6 3.112 -0.473 10.383 49 1HB ALA 6 HB1 ALA 6 0.555 -0.025 11.195 50 2HB ALA 6 HB2 ALA 6 1.119 -1.598 10.625 51 3HB ALA 6 HB3 ALA 6 0.267 -0.515 9.525 52 H ILE 7 HN ILE 7 4.134 -0.919 8.465 53 HA ILE 7 HA ILE 7 2.766 -0.007 5.965 54 HB ILE 7 HB ILE 7 5.694 -0.166 6.719 55 1HG1 ILE 7 HG12 ILE 7 3.733 2.087 6.214 56 2HG1 ILE 7 HG11 ILE 7 4.578 1.724 7.718 57 1HG2 ILE 7 HG21 ILE 7 5.063 1.267 4.273 58 2HG2 ILE 7 HG22 ILE 7 4.561 -0.417 4.159 59 3HG2 ILE 7 HG23 ILE 7 6.238 -0.020 4.533 60 1HD1 ILE 7 HD11 ILE 7 5.893 3.427 6.869 61 2HD1 ILE 7 HD12 ILE 7 5.635 2.945 5.195 62 3HD1 ILE 7 HD13 ILE 7 6.726 2.016 6.225 63 H CYS 8 HN CYS 8 2.237 -1.591 4.581 64 HA CYS 8 HA CYS 8 3.347 -4.320 5.036 65 1HB CYS 8 HB2 CYS 8 0.903 -3.932 5.123 66 2HB CYS 8 HB1 CYS 8 0.958 -3.280 3.483 67 HG CYS 8 HG CYS 8 0.349 -5.913 3.532 68 H ILE 9 HN ILE 9 5.150 -4.643 3.733 69 HA ILE 9 HA ILE 9 5.047 -3.516 0.965 70 HB ILE 9 HB ILE 9 6.885 -2.763 2.385 71 1HG1 ILE 9 HG12 ILE 9 7.725 -4.821 0.320 72 2HG1 ILE 9 HG11 ILE 9 7.427 -3.106 0.022 73 1HG2 ILE 9 HG21 ILE 9 8.439 -5.072 2.735 74 2HG2 ILE 9 HG22 ILE 9 6.803 -5.533 3.210 75 3HG2 ILE 9 HG23 ILE 9 7.595 -4.162 3.986 76 1HD1 ILE 9 HD11 ILE 9 9.864 -3.682 0.250 77 2HD1 ILE 9 HD12 ILE 9 9.544 -4.150 1.919 78 3HD1 ILE 9 HD13 ILE 9 9.309 -2.479 1.413 79 H TRP 10 HN TRP 10 4.969 -4.905 -0.742 80 HA TRP 10 HA TRP 10 5.427 -7.814 -0.171 81 1HB TRP 10 HB2 TRP 10 3.122 -7.324 -0.812 82 2HB TRP 10 HB1 TRP 10 3.675 -6.422 -2.226 83 HD1 TRP 10 HD1 TRP 10 5.629 -9.516 -1.407 84 HE1 TRP 10 HE1 TRP 10 5.137 -11.355 -3.147 85 HE3 TRP 10 HE3 TRP 10 1.649 -7.406 -3.832 86 HZ2 TRP 10 HZ2 TRP 10 3.298 -11.875 -5.249 87 HZ3 TRP 10 HZ3 TRP 10 0.549 -8.607 -5.701 88 HH2 TRP 10 HH2 TRP 10 1.368 -10.839 -6.411 89 H VAL 11 HN VAL 11 7.462 -8.280 -0.869 90 HA VAL 11 HA VAL 11 8.221 -7.406 -3.631 91 HB VAL 11 HB VAL 11 9.876 -7.354 -1.086 92 1HG1 VAL 11 HG11 VAL 11 11.648 -7.551 -2.439 93 2HG1 VAL 11 HG12 VAL 11 11.191 -6.019 -3.185 94 3HG1 VAL 11 HG13 VAL 11 10.620 -7.540 -3.871 95 1HG2 VAL 11 HG21 VAL 11 9.041 -5.272 -0.884 96 2HG2 VAL 11 HG22 VAL 11 8.208 -5.394 -2.432 97 3HG2 VAL 11 HG23 VAL 11 9.886 -4.854 -2.374 98 H GLU 12 HN GLU 12 9.215 -9.072 -4.810 99 HA GLU 12 HA GLU 12 9.584 -11.637 -3.342 100 1HB GLU 12 HB2 GLU 12 9.178 -10.915 -6.252 101 2HB GLU 12 HB1 GLU 12 9.538 -12.556 -5.719 102 1HG GLU 12 HG2 GLU 12 7.520 -12.376 -4.186 103 2HG GLU 12 HG1 GLU 12 7.126 -10.868 -5.014 104 H SER 13 HN SER 13 11.444 -9.183 -3.672 105 HA SER 13 HA SER 13 13.901 -10.762 -4.279 106 1HB SER 13 HB2 SER 13 12.899 -9.237 -6.198 107 2HB SER 13 HB1 SER 13 13.604 -7.931 -5.253 108 HG SER 13 HG SER 13 14.867 -10.150 -6.466 109 H THR 14 HN THR 14 15.075 -10.585 -2.379 110 HA THR 14 HA THR 14 14.595 -8.903 -0.221 111 HB THR 14 HB THR 14 17.404 -9.604 -1.014 112 HG1 THR 14 HG1 THR 14 16.220 -11.677 0.135 113 1HG2 THR 14 HG21 THR 14 15.954 -8.950 1.395 114 2HG2 THR 14 HG22 THR 14 17.693 -9.153 1.171 115 3HG2 THR 14 HG23 THR 14 16.683 -10.549 1.546 116 H ALA 15 HN ALA 15 17.100 -8.229 -2.729 117 HA ALA 15 HA ALA 15 17.988 -5.763 -1.813 118 1HB ALA 15 HB1 ALA 15 18.971 -5.706 -3.875 119 2HB ALA 15 HB2 ALA 15 17.421 -5.848 -4.708 120 3HB ALA 15 HB3 ALA 15 18.226 -7.291 -4.094 121 H ILE 16 HN ILE 16 15.204 -6.214 -4.036 122 HA ILE 16 HA ILE 16 14.357 -3.479 -4.027 123 HB ILE 16 HB ILE 16 12.802 -6.081 -4.323 124 1HG1 ILE 16 HG12 ILE 16 13.962 -4.269 -6.460 125 2HG1 ILE 16 HG11 ILE 16 14.776 -5.716 -5.864 126 1HG2 ILE 16 HG21 ILE 16 12.075 -3.401 -5.499 127 2HG2 ILE 16 HG22 ILE 16 11.523 -3.877 -3.894 128 3HG2 ILE 16 HG23 ILE 16 11.057 -4.829 -5.304 129 1HD1 ILE 16 HD11 ILE 16 13.630 -6.598 -7.680 130 2HD1 ILE 16 HD12 ILE 16 12.272 -5.488 -7.492 131 3HD1 ILE 16 HD13 ILE 16 12.449 -6.855 -6.394 132 H LEU 17 HN LEU 17 13.395 -6.260 -2.013 133 HA LEU 17 HA LEU 17 11.458 -4.932 -0.411 134 1HB LEU 17 HB2 LEU 17 11.540 -7.263 -0.230 135 2HB LEU 17 HB1 LEU 17 13.297 -7.296 -0.174 136 HG LEU 17 HG LEU 17 11.998 -7.812 2.007 137 1HD1 LEU 17 HD11 LEU 17 13.880 -5.639 2.639 138 2HD1 LEU 17 HD12 LEU 17 14.498 -6.815 1.470 139 3HD1 LEU 17 HD13 LEU 17 13.952 -7.354 3.059 140 1HD2 LEU 17 HD21 LEU 17 12.012 -5.035 2.813 141 2HD2 LEU 17 HD22 LEU 17 10.693 -6.204 2.892 142 3HD2 LEU 17 HD23 LEU 17 10.943 -5.254 1.427 143 H GLN 18 HN GLN 18 14.982 -5.361 0.105 144 HA GLN 18 HA GLN 18 15.115 -3.956 2.590 145 1HB GLN 18 HB2 GLN 18 17.074 -4.488 0.345 146 2HB GLN 18 HB1 GLN 18 17.555 -3.692 1.841 147 1HG GLN 18 HG2 GLN 18 16.700 -5.645 3.125 148 2HG GLN 18 HG1 GLN 18 16.329 -6.454 1.600 149 1HE2 GLN 18 HE21 GLN 18 18.650 -6.383 3.956 150 2HE2 GLN 18 HE22 GLN 18 20.015 -6.801 3.038 151 H ASP 19 HN ASP 19 15.632 -2.775 -0.762 152 HA ASP 19 HA ASP 19 16.292 -0.097 -0.048 153 1HB ASP 19 HB2 ASP 19 15.024 -1.375 -2.484 154 2HB ASP 19 HB1 ASP 19 15.539 0.315 -2.444 155 H CYS 20 HN CYS 20 13.091 -1.553 -0.791 156 HA CYS 20 HA CYS 20 11.555 0.850 -0.606 157 1HB CYS 20 HB2 CYS 20 11.021 -2.088 -0.139 158 2HB CYS 20 HB1 CYS 20 9.741 -0.891 0.060 159 HG CYS 20 HG CYS 20 10.370 -1.979 -2.539 160 H GLN 21 HN GLN 21 12.607 -1.485 1.876 161 HA GLN 21 HA GLN 21 11.242 0.011 4.010 162 1HB GLN 21 HB2 GLN 21 13.174 -2.332 4.013 163 2HB GLN 21 HB1 GLN 21 12.186 -1.813 5.379 164 1HG GLN 21 HG2 GLN 21 10.164 -2.098 3.848 165 2HG GLN 21 HG1 GLN 21 11.245 -2.932 2.734 166 1HE2 GLN 21 HE21 GLN 21 12.802 -4.016 5.164 167 2HE2 GLN 21 HE22 GLN 21 11.834 -5.284 5.742 168 H ARG 22 HN ARG 22 14.469 -0.261 2.608 169 HA ARG 22 HA ARG 22 16.090 0.790 4.648 170 1HB ARG 22 HB2 ARG 22 16.508 0.093 2.118 171 2HB ARG 22 HB1 ARG 22 16.310 1.819 1.834 172 1HG ARG 22 HG2 ARG 22 18.660 1.392 2.203 173 2HG ARG 22 HG1 ARG 22 18.031 2.227 3.628 174 1HD ARG 22 HD2 ARG 22 17.696 0.010 4.730 175 2HD ARG 22 HD1 ARG 22 18.481 -0.756 3.338 176 HE ARG 22 HE ARG 22 19.825 0.826 5.394 177 1HH1 ARG 22 HH11 ARG 22 19.804 -0.213 2.100 178 2HH1 ARG 22 HH12 ARG 22 21.514 -0.040 1.901 179 1HH2 ARG 22 HH21 ARG 22 22.057 1.060 5.144 180 2HH2 ARG 22 HH22 ARG 22 22.785 0.700 3.618 181 H ALA 23 HN ALA 23 14.267 2.570 2.180 182 HA ALA 23 HA ALA 23 14.788 5.171 3.316 183 1HB ALA 23 HB1 ALA 23 13.939 4.347 0.958 184 2HB ALA 23 HB2 ALA 23 13.394 5.903 1.586 185 3HB ALA 23 HB3 ALA 23 12.348 4.492 1.704 186 H LEU 24 HN LEU 24 12.015 2.893 3.568 187 HA LEU 24 HA LEU 24 10.607 4.605 5.496 188 1HB LEU 24 HB2 LEU 24 10.224 1.726 4.606 189 2HB LEU 24 HB1 LEU 24 9.033 2.709 5.458 190 HG LEU 24 HG LEU 24 10.200 3.297 2.733 191 1HD1 LEU 24 HD11 LEU 24 7.753 1.971 3.714 192 2HD1 LEU 24 HD12 LEU 24 8.570 1.830 2.156 193 3HD1 LEU 24 HD13 LEU 24 7.493 3.190 2.466 194 1HD2 LEU 24 HD21 LEU 24 7.986 4.926 3.258 195 2HD2 LEU 24 HD22 LEU 24 9.677 5.416 3.229 196 3HD2 LEU 24 HD23 LEU 24 8.930 4.955 4.748 197 H SER 25 HN SER 25 13.054 4.278 6.598 198 HA SER 25 HA SER 25 12.840 1.996 8.514 199 1HB SER 25 HB2 SER 25 14.933 1.866 7.518 200 2HB SER 25 HB1 SER 25 15.037 3.612 7.277 201 HG SER 25 HG SER 25 16.321 2.451 9.049 202 H ALA 26 HN ALA 26 11.812 5.093 8.443 203 HA ALA 26 HA ALA 26 12.891 6.523 10.572 204 1HB ALA 26 HB1 ALA 26 10.056 6.616 10.801 205 2HB ALA 26 HB2 ALA 26 10.430 6.332 9.102 206 3HB ALA 26 HB3 ALA 26 11.097 7.735 9.924 207 H ASP 27 HN ASP 27 12.785 6.356 12.825 208 HA ASP 27 HA ASP 27 12.634 3.870 14.090 209 1HB ASP 27 HB2 ASP 27 13.555 6.053 14.949 210 2HB ASP 27 HB1 ASP 27 11.901 6.555 15.292 211 H ARG 28 HN ARG 28 9.979 5.859 13.048 212 HA ARG 28 HA ARG 28 8.107 4.338 14.802 213 1HB ARG 28 HB2 ARG 28 6.653 6.187 14.494 214 2HB ARG 28 HB1 ARG 28 8.264 6.904 14.593 215 1HG ARG 28 HG2 ARG 28 8.395 6.994 12.139 216 2HG ARG 28 HG1 ARG 28 6.798 6.257 12.020 217 1HD ARG 28 HD2 ARG 28 6.568 8.680 11.784 218 2HD ARG 28 HD1 ARG 28 5.880 8.195 13.345 219 HE ARG 28 HE ARG 28 7.665 9.311 14.428 220 1HH1 ARG 28 HH11 ARG 28 8.364 8.714 11.099 221 2HH1 ARG 28 HH12 ARG 28 9.783 9.706 11.082 222 1HH2 ARG 28 HH21 ARG 28 9.511 10.621 14.415 223 2HH2 ARG 28 HH22 ARG 28 10.433 10.785 12.961 224 H TYR 29 HN TYR 29 9.415 3.272 12.261 225 HA TYR 29 HA TYR 29 6.987 2.926 10.558 226 1HB TYR 29 HB2 TYR 29 9.936 2.903 10.165 227 2HB TYR 29 HB1 TYR 29 8.993 1.815 9.142 228 HD1 TYR 29 HD1 TYR 29 8.774 5.308 10.472 229 HD2 TYR 29 HD2 TYR 29 8.211 2.674 7.136 230 HE1 TYR 29 HE1 TYR 29 8.055 7.224 9.090 231 HE2 TYR 29 HE2 TYR 29 7.482 4.590 5.746 232 HH TYR 29 HH TYR 29 7.521 7.903 7.041 233 H GLN 30 HN GLN 30 5.884 1.077 10.771 234 HA GLN 30 HA GLN 30 7.294 -1.348 11.865 235 1HB GLN 30 HB2 GLN 30 5.436 -0.295 13.215 236 2HB GLN 30 HB1 GLN 30 4.345 -0.623 11.872 237 1HG GLN 30 HG2 GLN 30 4.758 -3.025 12.068 238 2HG GLN 30 HG1 GLN 30 5.935 -2.745 13.351 239 1HE2 GLN 30 HE21 GLN 30 2.461 -2.321 12.565 240 2HE2 GLN 30 HE22 GLN 30 1.931 -2.361 14.175 241 H LEU 31 HN LEU 31 7.978 -1.794 9.594 242 HA LEU 31 HA LEU 31 5.873 -2.228 7.617 243 1HB LEU 31 HB2 LEU 31 8.828 -2.834 7.521 244 2HB LEU 31 HB1 LEU 31 7.749 -2.618 6.146 245 HG LEU 31 HG LEU 31 7.376 -0.315 7.672 246 1HD1 LEU 31 HD11 LEU 31 10.054 -1.452 8.081 247 2HD1 LEU 31 HD12 LEU 31 9.226 -0.171 8.970 248 3HD1 LEU 31 HD13 LEU 31 10.079 0.203 7.471 249 1HD2 LEU 31 HD21 LEU 31 7.877 -0.970 5.078 250 2HD2 LEU 31 HD22 LEU 31 9.415 -0.226 5.516 251 3HD2 LEU 31 HD23 LEU 31 7.917 0.689 5.682 252 H GLN 32 HN GLN 32 5.023 -4.166 7.006 253 HA GLN 32 HA GLN 32 6.110 -6.654 8.280 254 1HB GLN 32 HB2 GLN 32 3.795 -6.076 8.897 255 2HB GLN 32 HB1 GLN 32 3.358 -5.933 7.194 256 1HG GLN 32 HG2 GLN 32 2.635 -8.111 7.965 257 2HG GLN 32 HG1 GLN 32 4.016 -8.345 6.901 258 1HE2 GLN 32 HE21 GLN 32 4.933 -10.219 7.849 259 2HE2 GLN 32 HE22 GLN 32 5.485 -10.284 9.455 260 H VAL 33 HN VAL 33 7.077 -8.052 6.827 261 HA VAL 33 HA VAL 33 6.982 -7.355 3.958 262 HB VAL 33 HB VAL 33 8.515 -9.443 5.533 263 1HG1 VAL 33 HG11 VAL 33 8.702 -8.415 2.698 264 2HG1 VAL 33 HG12 VAL 33 8.553 -10.084 3.244 265 3HG1 VAL 33 HG13 VAL 33 10.062 -9.204 3.496 266 1HG2 VAL 33 HG21 VAL 33 9.534 -7.586 6.367 267 2HG2 VAL 33 HG22 VAL 33 8.837 -6.536 5.132 268 3HG2 VAL 33 HG23 VAL 33 10.288 -7.480 4.774 269 H CYS 34 HN CYS 34 5.828 -8.478 2.457 270 HA CYS 34 HA CYS 34 4.436 -10.986 3.329 271 1HB CYS 34 HB2 CYS 34 3.867 -8.987 1.113 272 2HB CYS 34 HB1 CYS 34 2.875 -10.398 1.485 273 HG CYS 34 HG CYS 34 3.120 -7.864 3.278 274 H GLU 35 HN GLU 35 5.666 -12.715 2.684 275 HA GLU 35 HA GLU 35 7.555 -12.782 0.564 276 1HB GLU 35 HB2 GLU 35 5.903 -14.935 1.921 277 2HB GLU 35 HB1 GLU 35 7.314 -15.257 0.913 278 1HG GLU 35 HG2 GLU 35 8.713 -13.897 2.417 279 2HG GLU 35 HG1 GLU 35 7.310 -13.556 3.425 280 H SER 36 HN SER 36 4.059 -13.352 0.554 281 HA SER 36 HA SER 36 4.254 -13.835 -2.405 282 1HB SER 36 HB2 SER 36 1.869 -14.880 -1.101 283 2HB SER 36 HB1 SER 36 3.046 -15.721 -2.104 284 HG SER 36 HG SER 36 4.139 -16.295 -0.363 285 H GLY 37 HN GLY 37 1.655 -13.640 -3.117 286 1HA GLY 37 HA2 GLY 37 0.979 -10.817 -2.429 287 2HA GLY 37 HA1 GLY 37 0.453 -11.666 -3.886 288 H GLU 38 HN GLU 38 -0.010 -14.105 -2.224 289 HA GLU 38 HA GLU 38 -2.808 -13.641 -1.533 290 1HB GLU 38 HB2 GLU 38 -0.790 -15.853 -1.639 291 2HB GLU 38 HB1 GLU 38 -2.208 -16.103 -0.643 292 1HG GLU 38 HG2 GLU 38 -3.599 -15.419 -2.671 293 2HG GLU 38 HG1 GLU 38 -2.108 -15.548 -3.607 294 H MET 39 HN MET 39 0.170 -14.567 0.146 295 HA MET 39 HA MET 39 -0.712 -14.564 2.810 296 1HB MET 39 HB2 MET 39 1.878 -13.862 1.415 297 2HB MET 39 HB1 MET 39 1.773 -13.969 3.172 298 1HG MET 39 HG2 MET 39 0.906 -16.203 1.317 299 2HG MET 39 HG1 MET 39 2.518 -16.105 2.024 300 1HE MET 39 HE1 MET 39 2.731 -15.192 4.252 301 2HE MET 39 HE2 MET 39 2.411 -16.391 5.500 302 3HE MET 39 HE3 MET 39 1.388 -14.959 5.378 303 H LEU 40 HN LEU 40 0.224 -11.872 0.708 304 HA LEU 40 HA LEU 40 0.316 -9.792 2.671 305 1HB LEU 40 HB2 LEU 40 1.187 -9.271 0.563 306 2HB LEU 40 HB1 LEU 40 -0.138 -10.058 -0.285 307 HG LEU 40 HG LEU 40 -1.601 -8.235 0.050 308 1HD1 LEU 40 HD11 LEU 40 -1.665 -7.284 2.090 309 2HD1 LEU 40 HD12 LEU 40 -0.241 -6.349 1.632 310 3HD1 LEU 40 HD13 LEU 40 -0.051 -7.887 2.476 311 1HD2 LEU 40 HD21 LEU 40 0.815 -6.527 -0.077 312 2HD2 LEU 40 HD22 LEU 40 -0.537 -6.652 -1.202 313 3HD2 LEU 40 HD23 LEU 40 0.763 -7.845 -1.245 314 H LEU 41 HN LEU 41 -2.347 -11.104 0.706 315 HA LEU 41 HA LEU 41 -4.389 -9.286 1.483 316 1HB LEU 41 HB2 LEU 41 -4.470 -12.254 0.819 317 2HB LEU 41 HB1 LEU 41 -5.858 -11.163 0.754 318 HG LEU 41 HG LEU 41 -3.317 -10.813 -0.863 319 1HD1 LEU 41 HD11 LEU 41 -5.496 -11.252 -2.565 320 2HD1 LEU 41 HD12 LEU 41 -5.689 -12.451 -1.284 321 3HD1 LEU 41 HD13 LEU 41 -4.194 -12.391 -2.220 322 1HD2 LEU 41 HD21 LEU 41 -4.412 -8.701 -0.428 323 2HD2 LEU 41 HD22 LEU 41 -5.988 -9.385 -0.820 324 3HD2 LEU 41 HD23 LEU 41 -4.782 -9.169 -2.088 325 H GLU 42 HN GLU 42 -3.232 -12.290 2.999 326 HA GLU 42 HA GLU 42 -5.212 -12.490 5.034 327 1HB GLU 42 HB2 GLU 42 -3.378 -14.124 4.282 328 2HB GLU 42 HB1 GLU 42 -2.285 -13.199 5.311 329 1HG GLU 42 HG2 GLU 42 -4.089 -13.545 7.155 330 2HG GLU 42 HG1 GLU 42 -4.681 -14.838 6.109 331 H TYR 43 HN TYR 43 -2.014 -10.850 5.116 332 HA TYR 43 HA TYR 43 -2.283 -9.883 7.814 333 1HB TYR 43 HB2 TYR 43 -0.135 -9.996 6.736 334 2HB TYR 43 HB1 TYR 43 -0.696 -9.000 5.391 335 HD1 TYR 43 HD1 TYR 43 -1.133 -8.602 9.090 336 HD2 TYR 43 HD2 TYR 43 0.504 -6.984 5.467 337 HE1 TYR 43 HE1 TYR 43 -0.450 -6.560 10.312 338 HE2 TYR 43 HE2 TYR 43 1.189 -4.939 6.688 339 HH TYR 43 HH TYR 43 0.991 -3.797 8.618 340 H ALA 44 HN ALA 44 -2.979 -8.346 4.649 341 HA ALA 44 HA ALA 44 -3.903 -5.877 5.899 342 1HB ALA 44 HB1 ALA 44 -4.219 -5.197 3.638 343 2HB ALA 44 HB2 ALA 44 -4.378 -6.864 3.084 344 3HB ALA 44 HB3 ALA 44 -2.809 -6.257 3.617 345 H GLN 45 HN GLN 45 -5.412 -8.909 4.979 346 HA GLN 45 HA GLN 45 -8.101 -8.022 4.587 347 1HB GLN 45 HB2 GLN 45 -6.677 -10.520 5.374 348 2HB GLN 45 HB1 GLN 45 -8.422 -10.469 5.618 349 1HG GLN 45 HG2 GLN 45 -8.847 -10.112 3.331 350 2HG GLN 45 HG1 GLN 45 -7.177 -9.638 3.008 351 1HE2 GLN 45 HE21 GLN 45 -7.826 -11.563 1.316 352 2HE2 GLN 45 HE22 GLN 45 -7.301 -13.097 1.814 353 H THR 46 HN THR 46 -6.218 -8.334 7.522 354 HA THR 46 HA THR 46 -8.742 -7.899 9.085 355 HB THR 46 HB THR 46 -7.858 -9.391 10.715 356 HG1 THR 46 HG1 THR 46 -5.409 -9.032 9.338 357 1HG2 THR 46 HG21 THR 46 -7.426 -11.409 9.450 358 2HG2 THR 46 HG22 THR 46 -6.862 -10.478 8.064 359 3HG2 THR 46 HG23 THR 46 -8.567 -10.438 8.518 360 H HIS 47 HN HIS 47 -5.752 -6.559 8.216 361 HA HIS 47 HA HIS 47 -5.814 -4.744 10.607 362 1HB HIS 47 HB2 HIS 47 -3.548 -5.744 8.858 363 2HB HIS 47 HB1 HIS 47 -3.351 -4.487 10.075 364 HD1 HIS 47 HD1 HIS 47 -4.804 -5.456 12.454 365 HD2 HIS 47 HD2 HIS 47 -2.683 -8.082 10.011 366 HE1 HIS 47 HE1 HIS 47 -4.336 -7.513 13.854 367 H ARG 48 HN ARG 48 -7.083 -4.684 7.779 368 HA ARG 48 HA ARG 48 -6.051 -2.883 5.967 369 1HB ARG 48 HB2 ARG 48 -8.801 -2.205 6.926 370 2HB ARG 48 HB1 ARG 48 -8.240 -2.508 5.291 371 1HG ARG 48 HG2 ARG 48 -8.131 -4.938 5.814 372 2HG ARG 48 HG1 ARG 48 -8.779 -4.597 7.417 373 1HD ARG 48 HD2 ARG 48 -10.290 -3.580 5.036 374 2HD ARG 48 HD1 ARG 48 -10.435 -5.292 5.488 375 HE ARG 48 HE ARG 48 -10.600 -3.621 7.827 376 1HH1 ARG 48 HH11 ARG 48 -12.352 -4.675 5.041 377 2HH1 ARG 48 HH12 ARG 48 -13.903 -4.511 5.802 378 1HH2 ARG 48 HH21 ARG 48 -12.605 -3.410 8.818 379 2HH2 ARG 48 HH22 ARG 48 -14.045 -3.790 7.933 380 H ASP 49 HN ASP 49 -7.876 -1.920 8.853 381 HA ASP 49 HA ASP 49 -7.269 0.895 8.688 382 1HB ASP 49 HB2 ASP 49 -9.010 -0.570 10.061 383 2HB ASP 49 HB1 ASP 49 -7.745 -0.520 11.287 384 H GLN 50 HN GLN 50 -5.738 -1.789 10.476 385 HA GLN 50 HA GLN 50 -3.818 -0.168 11.881 386 1HB GLN 50 HB2 GLN 50 -3.871 -3.080 11.057 387 2HB GLN 50 HB1 GLN 50 -2.747 -2.407 12.233 388 1HG GLN 50 HG2 GLN 50 -4.885 -1.515 13.418 389 2HG GLN 50 HG1 GLN 50 -5.735 -2.709 12.437 390 1HE2 GLN 50 HE21 GLN 50 -6.243 -4.143 14.204 391 2HE2 GLN 50 HE22 GLN 50 -5.048 -5.003 15.045 392 H ILE 51 HN ILE 51 -3.901 -1.501 8.627 393 HA ILE 51 HA ILE 51 -1.040 -1.253 8.154 394 HB ILE 51 HB ILE 51 -3.404 -1.350 6.246 395 1HG1 ILE 51 HG12 ILE 51 -3.693 -3.432 7.138 396 2HG1 ILE 51 HG11 ILE 51 -2.269 -3.846 6.200 397 1HG2 ILE 51 HG21 ILE 51 -0.708 -0.874 5.740 398 2HG2 ILE 51 HG22 ILE 51 -1.908 -1.410 4.566 399 3HG2 ILE 51 HG23 ILE 51 -0.908 -2.594 5.408 400 1HD1 ILE 51 HD11 ILE 51 -1.814 -4.637 8.397 401 2HD1 ILE 51 HD12 ILE 51 -2.412 -3.157 9.141 402 3HD1 ILE 51 HD13 ILE 51 -0.892 -3.142 8.249 403 H ASP 52 HN ASP 52 -0.071 0.742 8.118 404 HA ASP 52 HA ASP 52 -1.651 3.160 7.586 405 1HB ASP 52 HB2 ASP 52 1.154 2.490 8.454 406 2HB ASP 52 HB1 ASP 52 0.703 4.149 8.066 407 H CYS 53 HN CYS 53 0.732 1.194 5.835 408 HA CYS 53 HA CYS 53 0.151 2.700 3.373 409 1HB CYS 53 HB2 CYS 53 1.966 3.813 4.997 410 2HB CYS 53 HB1 CYS 53 3.035 2.656 4.201 411 HG CYS 53 HG CYS 53 2.131 5.206 2.965 412 H LEU 54 HN LEU 54 0.302 1.227 1.634 413 HA LEU 54 HA LEU 54 1.780 -1.337 2.218 414 1HB LEU 54 HB2 LEU 54 -0.625 -1.521 1.763 415 2HB LEU 54 HB1 LEU 54 -0.426 -0.648 0.245 416 HG LEU 54 HG LEU 54 1.355 -2.576 -0.227 417 1HD1 LEU 54 HD11 LEU 54 -0.222 -3.515 2.093 418 2HD1 LEU 54 HD12 LEU 54 1.368 -4.035 1.530 419 3HD1 LEU 54 HD13 LEU 54 -0.089 -4.670 0.769 420 1HD2 LEU 54 HD21 LEU 54 -0.493 -3.891 -1.299 421 2HD2 LEU 54 HD22 LEU 54 -0.600 -2.162 -1.628 422 3HD2 LEU 54 HD23 LEU 54 -1.659 -2.897 -0.426 423 H ILE 55 HN ILE 55 3.463 -1.988 0.876 424 HA ILE 55 HA ILE 55 4.185 -0.099 -1.346 425 HB ILE 55 HB ILE 55 5.847 -2.127 0.176 426 1HG1 ILE 55 HG12 ILE 55 6.006 0.865 0.444 427 2HG1 ILE 55 HG11 ILE 55 4.865 -0.073 1.423 428 1HG2 ILE 55 HG21 ILE 55 7.755 -1.000 -0.836 429 2HG2 ILE 55 HG22 ILE 55 6.684 0.140 -1.648 430 3HG2 ILE 55 HG23 ILE 55 6.669 -1.560 -2.106 431 1HD1 ILE 55 HD11 ILE 55 7.614 0.313 1.918 432 2HD1 ILE 55 HD12 ILE 55 7.441 -1.362 1.416 433 3HD1 ILE 55 HD13 ILE 55 6.514 -0.752 2.787 434 H LEU 56 HN LEU 56 4.096 -0.898 -3.412 435 HA LEU 56 HA LEU 56 3.962 -3.873 -3.720 436 1HB LEU 56 HB2 LEU 56 2.300 -1.678 -4.971 437 2HB LEU 56 HB1 LEU 56 2.274 -3.352 -5.522 438 HG LEU 56 HG LEU 56 1.619 -2.403 -2.720 439 1HD1 LEU 56 HD11 LEU 56 0.063 -2.667 -5.133 440 2HD1 LEU 56 HD12 LEU 56 -0.456 -2.116 -3.536 441 3HD1 LEU 56 HD13 LEU 56 -0.500 -3.833 -3.932 442 1HD2 LEU 56 HD21 LEU 56 1.982 -5.101 -3.988 443 2HD2 LEU 56 HD22 LEU 56 0.784 -4.911 -2.711 444 3HD2 LEU 56 HD23 LEU 56 2.478 -4.550 -2.390 445 H VAL 57 HN VAL 57 4.735 -4.679 -5.688 446 HA VAL 57 HA VAL 57 6.487 -2.811 -7.254 447 HB VAL 57 HB VAL 57 6.732 -5.733 -6.448 448 1HG1 VAL 57 HG11 VAL 57 8.721 -5.875 -7.805 449 2HG1 VAL 57 HG12 VAL 57 8.624 -4.163 -8.217 450 3HG1 VAL 57 HG13 VAL 57 7.420 -5.288 -8.842 451 1HG2 VAL 57 HG21 VAL 57 9.058 -4.593 -5.735 452 2HG2 VAL 57 HG22 VAL 57 7.646 -4.562 -4.679 453 3HG2 VAL 57 HG23 VAL 57 8.034 -3.158 -5.676 454 H ALA 58 HN ALA 58 5.325 -2.468 -9.179 455 HA ALA 58 HA ALA 58 3.315 -4.266 -10.173 456 1HB ALA 58 HB1 ALA 58 3.833 -1.747 -10.608 457 2HB ALA 58 HB2 ALA 58 3.152 -2.717 -11.915 458 3HB ALA 58 HB3 ALA 58 4.880 -2.364 -11.888 459 H ALA 59 HN ALA 59 6.767 -4.294 -10.446 460 HA ALA 59 HA ALA 59 7.128 -5.677 -12.911 461 1HB ALA 59 HB1 ALA 59 9.300 -5.688 -12.180 462 2HB ALA 59 HB2 ALA 59 8.867 -6.398 -10.624 463 3HB ALA 59 HB3 ALA 59 8.673 -4.667 -10.887 464 H ASN 60 HN ASN 60 5.620 -6.709 -10.009 465 HA ASN 60 HA ASN 60 6.249 -9.529 -10.098 466 1HB ASN 60 HB2 ASN 60 4.107 -7.784 -8.893 467 2HB ASN 60 HB1 ASN 60 4.105 -9.531 -8.648 468 1HD2 ASN 60 HD21 ASN 60 4.451 -8.659 -6.275 469 2HD2 ASN 60 HD22 ASN 60 6.066 -8.448 -5.790 470 HA PRO 61 HA PRO 61 3.586 -10.850 -13.321 471 1HB PRO 61 HB2 PRO 61 2.867 -13.334 -12.438 472 2HB PRO 61 HB1 PRO 61 4.491 -12.946 -13.044 473 1HG PRO 61 HG2 PRO 61 3.543 -13.248 -10.249 474 2HG PRO 61 HG1 PRO 61 5.094 -13.697 -10.973 475 1HD PRO 61 HD2 PRO 61 4.685 -11.454 -9.436 476 2HD PRO 61 HD1 PRO 61 5.986 -11.629 -10.634 477 H SER 62 HN SER 62 1.854 -12.630 -10.808 478 HA SER 62 HA SER 62 -0.695 -11.523 -11.707 479 1HB SER 62 HB2 SER 62 -0.436 -13.101 -9.197 480 2HB SER 62 HB1 SER 62 -1.559 -13.301 -10.541 481 HG SER 62 HG SER 62 0.797 -14.513 -10.089 482 H PHE 63 HN PHE 63 1.461 -9.871 -10.072 483 HA PHE 63 HA PHE 63 0.516 -9.103 -7.559 484 1HB PHE 63 HB2 PHE 63 2.509 -8.157 -8.266 485 2HB PHE 63 HB1 PHE 63 1.902 -7.816 -9.882 486 HD1 PHE 63 HD1 PHE 63 1.130 -6.875 -6.337 487 HD2 PHE 63 HD2 PHE 63 1.560 -5.573 -10.404 488 HE1 PHE 63 HE1 PHE 63 0.660 -4.554 -5.638 489 HE2 PHE 63 HE2 PHE 63 1.088 -3.249 -9.709 490 HZ PHE 63 HZ PHE 63 0.643 -2.731 -7.322 491 H ARG 64 HN ARG 64 -0.508 -7.760 -10.725 492 HA ARG 64 HA ARG 64 -2.403 -5.879 -9.995 493 1HB ARG 64 HB2 ARG 64 -1.662 -7.289 -12.244 494 2HB ARG 64 HB1 ARG 64 -3.327 -7.827 -12.007 495 1HG ARG 64 HG2 ARG 64 -3.421 -5.875 -13.391 496 2HG ARG 64 HG1 ARG 64 -3.971 -5.388 -11.787 497 1HD ARG 64 HD2 ARG 64 -2.165 -4.047 -11.446 498 2HD ARG 64 HD1 ARG 64 -1.050 -5.193 -12.215 499 HE ARG 64 HE ARG 64 -2.653 -3.136 -13.612 500 1HH1 ARG 64 HH11 ARG 64 -0.625 -5.949 -13.755 501 2HH1 ARG 64 HH12 ARG 64 -0.292 -5.764 -15.443 502 1HH2 ARG 64 HH21 ARG 64 -2.219 -2.905 -15.792 503 2HH2 ARG 64 HH22 ARG 64 -1.192 -4.045 -16.595 504 H ALA 65 HN ALA 65 -2.975 -9.365 -10.318 505 HA ALA 65 HA ALA 65 -5.695 -9.435 -9.502 506 1HB ALA 65 HB1 ALA 65 -3.971 -11.206 -10.462 507 2HB ALA 65 HB2 ALA 65 -5.335 -11.746 -9.481 508 3HB ALA 65 HB3 ALA 65 -3.734 -11.587 -8.758 509 H VAL 66 HN VAL 66 -2.697 -9.613 -7.610 510 HA VAL 66 HA VAL 66 -3.864 -10.121 -5.054 511 HB VAL 66 HB VAL 66 -1.385 -8.550 -5.830 512 1HG1 VAL 66 HG11 VAL 66 -2.530 -9.198 -3.293 513 2HG1 VAL 66 HG12 VAL 66 -0.984 -8.416 -3.622 514 3HG1 VAL 66 HG13 VAL 66 -1.072 -10.169 -3.492 515 1HG2 VAL 66 HG21 VAL 66 -0.553 -11.072 -5.213 516 2HG2 VAL 66 HG22 VAL 66 -0.874 -10.524 -6.850 517 3HG2 VAL 66 HG23 VAL 66 -2.107 -11.415 -5.960 518 H VAL 67 HN VAL 67 -2.982 -7.043 -6.665 519 HA VAL 67 HA VAL 67 -3.820 -5.356 -4.512 520 HB VAL 67 HB VAL 67 -3.913 -4.699 -7.458 521 1HG1 VAL 67 HG11 VAL 67 -3.886 -3.246 -4.896 522 2HG1 VAL 67 HG12 VAL 67 -4.431 -2.716 -6.486 523 3HG1 VAL 67 HG13 VAL 67 -2.721 -2.637 -6.073 524 1HG2 VAL 67 HG21 VAL 67 -1.676 -5.652 -5.850 525 2HG2 VAL 67 HG22 VAL 67 -1.381 -4.023 -6.459 526 3HG2 VAL 67 HG23 VAL 67 -1.744 -5.335 -7.585 527 H GLN 68 HN GLN 68 -5.588 -6.628 -7.363 528 HA GLN 68 HA GLN 68 -7.994 -5.151 -6.996 529 1HB GLN 68 HB2 GLN 68 -7.439 -7.953 -8.036 530 2HB GLN 68 HB1 GLN 68 -9.004 -7.161 -8.184 531 1HG GLN 68 HG2 GLN 68 -7.950 -5.319 -9.455 532 2HG GLN 68 HG1 GLN 68 -6.386 -6.124 -9.314 533 1HE2 GLN 68 HE21 GLN 68 -9.538 -6.268 -10.918 534 2HE2 GLN 68 HE22 GLN 68 -9.127 -7.500 -12.012 535 H GLN 69 HN GLN 69 -6.799 -8.119 -5.438 536 HA GLN 69 HA GLN 69 -9.221 -8.816 -4.088 537 1HB GLN 69 HB2 GLN 69 -7.108 -10.175 -4.331 538 2HB GLN 69 HB1 GLN 69 -6.363 -9.127 -3.120 539 1HG GLN 69 HG2 GLN 69 -7.197 -11.007 -1.908 540 2HG GLN 69 HG1 GLN 69 -8.342 -9.702 -1.612 541 1HE2 GLN 69 HE21 GLN 69 -10.347 -10.779 -1.490 542 2HE2 GLN 69 HE22 GLN 69 -10.942 -11.818 -2.694 543 H LEU 70 HN LEU 70 -6.416 -6.874 -2.960 544 HA LEU 70 HA LEU 70 -7.338 -6.184 -0.407 545 1HB LEU 70 HB2 LEU 70 -5.680 -4.903 -2.540 546 2HB LEU 70 HB1 LEU 70 -6.117 -3.918 -1.145 547 HG LEU 70 HG LEU 70 -5.234 -6.609 -0.389 548 1HD1 LEU 70 HD11 LEU 70 -2.836 -5.153 -1.049 549 2HD1 LEU 70 HD12 LEU 70 -3.803 -5.393 -2.503 550 3HD1 LEU 70 HD13 LEU 70 -3.310 -6.780 -1.534 551 1HD2 LEU 70 HD21 LEU 70 -3.706 -4.210 0.423 552 2HD2 LEU 70 HD22 LEU 70 -4.441 -5.464 1.419 553 3HD2 LEU 70 HD23 LEU 70 -5.430 -4.145 0.789 554 H CYS 71 HN CYS 71 -8.036 -4.439 -3.483 555 HA CYS 71 HA CYS 71 -9.913 -2.610 -2.253 556 1HB CYS 71 HB2 CYS 71 -9.815 -3.561 -5.128 557 2HB CYS 71 HB1 CYS 71 -10.363 -1.996 -4.534 558 HG CYS 71 HG CYS 71 -7.413 -2.630 -3.917 559 H PHE 72 HN PHE 72 -10.190 -5.772 -3.851 560 HA PHE 72 HA PHE 72 -13.022 -5.959 -4.053 561 1HB PHE 72 HB2 PHE 72 -11.251 -7.492 -5.004 562 2HB PHE 72 HB1 PHE 72 -11.025 -8.143 -3.381 563 HD1 PHE 72 HD1 PHE 72 -12.980 -9.234 -2.195 564 HD2 PHE 72 HD2 PHE 72 -13.082 -8.179 -6.357 565 HE1 PHE 72 HE1 PHE 72 -14.926 -10.738 -2.528 566 HE2 PHE 72 HE2 PHE 72 -15.026 -9.682 -6.691 567 HZ PHE 72 HZ PHE 72 -15.949 -10.962 -4.778 568 H GLU 73 HN GLU 73 -10.798 -6.718 -1.403 569 HA GLU 73 HA GLU 73 -12.947 -7.634 0.372 570 1HB GLU 73 HB2 GLU 73 -10.007 -7.011 0.801 571 2HB GLU 73 HB1 GLU 73 -11.035 -7.924 1.913 572 1HG GLU 73 HG2 GLU 73 -11.518 -9.454 -0.125 573 2HG GLU 73 HG1 GLU 73 -10.091 -8.703 -0.840 574 H GLY 74 HN GLY 74 -11.897 -4.617 -0.629 575 1HA GLY 74 HA2 GLY 74 -12.748 -2.538 0.185 576 2HA GLY 74 HA1 GLY 74 -13.202 -3.343 1.689 577 H VAL 75 HN VAL 75 -10.085 -4.305 0.958 578 HA VAL 75 HA VAL 75 -8.992 -2.565 3.060 579 HB VAL 75 HB VAL 75 -7.640 -4.608 1.273 580 1HG1 VAL 75 HG11 VAL 75 -6.157 -4.781 3.339 581 2HG1 VAL 75 HG12 VAL 75 -6.952 -3.317 3.918 582 3HG1 VAL 75 HG13 VAL 75 -6.019 -3.282 2.422 583 1HG2 VAL 75 HG21 VAL 75 -8.618 -6.265 2.458 584 2HG2 VAL 75 HG22 VAL 75 -9.743 -5.049 3.062 585 3HG2 VAL 75 HG23 VAL 75 -8.294 -5.449 3.986 586 H VAL 76 HN VAL 76 -8.762 -0.465 2.251 587 HA VAL 76 HA VAL 76 -7.016 -0.187 -0.169 588 HB VAL 76 HB VAL 76 -9.061 1.807 0.838 589 1HG1 VAL 76 HG11 VAL 76 -7.177 1.604 -1.397 590 2HG1 VAL 76 HG12 VAL 76 -8.043 3.016 -0.790 591 3HG1 VAL 76 HG13 VAL 76 -8.827 1.924 -1.934 592 1HG2 VAL 76 HG21 VAL 76 -10.210 0.658 -1.357 593 2HG2 VAL 76 HG22 VAL 76 -10.595 0.200 0.303 594 3HG2 VAL 76 HG23 VAL 76 -9.423 -0.741 -0.622 595 H VAL 77 HN VAL 77 -5.087 0.736 0.295 596 HA VAL 77 HA VAL 77 -4.871 2.562 2.661 597 HB VAL 77 HB VAL 77 -2.668 1.305 3.051 598 1HG1 VAL 77 HG11 VAL 77 -4.196 -0.885 3.680 599 2HG1 VAL 77 HG12 VAL 77 -5.427 0.369 3.525 600 3HG1 VAL 77 HG13 VAL 77 -4.102 0.575 4.664 601 1HG2 VAL 77 HG21 VAL 77 -3.996 -0.759 1.264 602 2HG2 VAL 77 HG22 VAL 77 -2.382 -0.834 1.979 603 3HG2 VAL 77 HG23 VAL 77 -2.724 0.323 0.697 604 HA PRO 78 HA PRO 78 -2.406 5.036 -0.020 605 1HB PRO 78 HB2 PRO 78 -0.317 5.788 1.607 606 2HB PRO 78 HB1 PRO 78 -1.943 6.488 1.730 607 1HG PRO 78 HG2 PRO 78 -0.674 4.348 3.359 608 2HG PRO 78 HG1 PRO 78 -1.699 5.694 3.877 609 1HD PRO 78 HD2 PRO 78 -2.654 3.183 3.627 610 2HD PRO 78 HD1 PRO 78 -3.654 4.615 3.279 611 H ALA 79 HN ALA 79 -1.832 3.203 -1.339 612 HA ALA 79 HA ALA 79 0.591 1.687 -0.647 613 1HB ALA 79 HB1 ALA 79 -0.271 0.148 -2.153 614 2HB ALA 79 HB2 ALA 79 -0.982 1.398 -3.174 615 3HB ALA 79 HB3 ALA 79 -1.749 0.967 -1.643 616 H ILE 80 HN ILE 80 2.534 1.855 -1.717 617 HA ILE 80 HA ILE 80 2.778 3.966 -3.831 618 HB ILE 80 HB ILE 80 4.866 2.713 -2.007 619 1HG1 ILE 80 HG12 ILE 80 3.686 5.469 -1.668 620 2HG1 ILE 80 HG11 ILE 80 2.897 4.065 -0.945 621 1HG2 ILE 80 HG21 ILE 80 5.095 5.413 -3.288 622 2HG2 ILE 80 HG22 ILE 80 5.395 3.984 -4.278 623 3HG2 ILE 80 HG23 ILE 80 6.368 4.279 -2.838 624 1HD1 ILE 80 HD11 ILE 80 4.523 5.217 0.590 625 2HD1 ILE 80 HD12 ILE 80 5.813 4.759 -0.522 626 3HD1 ILE 80 HD13 ILE 80 4.885 3.513 0.315 627 H VAL 81 HN VAL 81 3.067 3.103 -5.893 628 HA VAL 81 HA VAL 81 3.856 0.246 -6.115 629 HB VAL 81 HB VAL 81 2.892 2.230 -8.194 630 1HG1 VAL 81 HG11 VAL 81 2.284 -0.627 -8.485 631 2HG1 VAL 81 HG12 VAL 81 4.013 -0.281 -8.510 632 3HG1 VAL 81 HG13 VAL 81 2.941 0.506 -9.668 633 1HG2 VAL 81 HG21 VAL 81 1.064 2.137 -6.762 634 2HG2 VAL 81 HG22 VAL 81 1.482 0.531 -6.168 635 3HG2 VAL 81 HG23 VAL 81 0.745 0.719 -7.757 636 H VAL 82 HN VAL 82 5.686 -0.453 -7.266 637 HA VAL 82 HA VAL 82 7.684 1.673 -7.979 638 HB VAL 82 HB VAL 82 8.124 -1.250 -7.306 639 1HG1 VAL 82 HG11 VAL 82 10.194 -0.698 -8.057 640 2HG1 VAL 82 HG12 VAL 82 10.345 0.252 -6.576 641 3HG1 VAL 82 HG13 VAL 82 9.814 1.025 -8.070 642 1HG2 VAL 82 HG21 VAL 82 7.920 -0.780 -5.107 643 2HG2 VAL 82 HG22 VAL 82 7.194 0.759 -5.579 644 3HG2 VAL 82 HG23 VAL 82 8.925 0.661 -5.265 645 H GLY 83 HN GLY 83 8.269 1.774 -10.146 646 1HA GLY 83 HA2 GLY 83 8.839 0.901 -12.292 647 2HA GLY 83 HA1 GLY 83 8.216 -0.666 -11.792 648 H ASP 84 HN ASP 84 7.337 -0.344 -14.119 649 HA ASP 84 HA ASP 84 5.434 -0.085 -15.484 650 1HB ASP 84 HB2 ASP 84 4.540 -0.280 -12.668 651 2HB ASP 84 HB1 ASP 84 3.345 0.388 -13.792 652 H ARG 85 HN ARG 85 7.042 2.212 -15.152 653 HA ARG 85 HA ARG 85 5.552 4.559 -14.398 654 1HB ARG 85 HB2 ARG 85 7.915 4.054 -16.233 655 2HB ARG 85 HB1 ARG 85 7.394 5.662 -15.728 656 1HG ARG 85 HG2 ARG 85 7.565 4.057 -13.384 657 2HG ARG 85 HG1 ARG 85 9.045 3.798 -14.304 658 1HD ARG 85 HD2 ARG 85 9.654 5.717 -13.147 659 2HD ARG 85 HD1 ARG 85 8.875 6.477 -14.553 660 HE ARG 85 HE ARG 85 6.821 5.886 -12.715 661 1HH1 ARG 85 HH11 ARG 85 9.667 7.826 -12.951 662 2HH1 ARG 85 HH12 ARG 85 9.092 9.030 -11.848 663 1HH2 ARG 85 HH21 ARG 85 6.072 7.443 -11.259 664 2HH2 ARG 85 HH22 ARG 85 7.068 8.811 -10.892 665 H ASP 86 HN ASP 86 4.823 6.238 -15.987 666 HA ASP 86 HA ASP 86 3.007 5.186 -17.945 667 1HB ASP 86 HB2 ASP 86 2.853 7.331 -16.664 668 2HB ASP 86 HB1 ASP 86 4.186 7.965 -17.627 669 H SER 87 HN SER 87 3.561 4.393 -19.944 670 HA SER 87 HA SER 87 6.058 5.458 -21.227 671 1HB SER 87 HB2 SER 87 5.781 2.985 -20.436 672 2HB SER 87 HB1 SER 87 4.725 2.823 -21.840 673 HG SER 87 HG SER 87 7.475 3.261 -21.682 674 H GLU 88 HN GLU 88 5.621 6.708 -23.026 675 HA GLU 88 HA GLU 88 3.015 7.011 -24.148 676 1HB GLU 88 HB2 GLU 88 4.214 8.290 -25.850 677 2HB GLU 88 HB1 GLU 88 4.931 8.612 -24.272 678 1HG GLU 88 HG2 GLU 88 6.428 6.490 -25.022 679 2HG GLU 88 HG1 GLU 88 6.066 7.174 -26.608 680 H ASP 89 HN ASP 89 5.647 4.783 -24.877 681 HA ASP 89 HA ASP 89 4.770 3.862 -27.449 682 1HB ASP 89 HB2 ASP 89 6.211 2.386 -25.221 683 2HB ASP 89 HB1 ASP 89 6.259 1.982 -26.936 684 HA PRO 90 HA PRO 90 1.188 1.540 -26.272 685 1HB PRO 90 HB2 PRO 90 1.026 -0.059 -28.486 686 2HB PRO 90 HB1 PRO 90 0.579 1.660 -28.505 687 1HG PRO 90 HG2 PRO 90 3.088 0.346 -29.431 688 2HG PRO 90 HG1 PRO 90 2.173 1.674 -30.164 689 1HD PRO 90 HD2 PRO 90 4.441 2.054 -28.715 690 2HD PRO 90 HD1 PRO 90 3.141 3.258 -28.821 691 H ASP 91 HN ASP 91 4.155 -0.040 -27.330 692 HA ASP 91 HA ASP 91 3.616 -2.733 -26.681 693 1HB ASP 91 HB2 ASP 91 6.148 -1.076 -26.390 694 2HB ASP 91 HB1 ASP 91 6.102 -2.838 -26.426 695 H GLU 92 HN GLU 92 4.204 0.016 -24.594 696 HA GLU 92 HA GLU 92 4.055 -1.798 -22.204 697 1HB GLU 92 HB2 GLU 92 5.618 0.762 -22.681 698 2HB GLU 92 HB1 GLU 92 5.547 -0.086 -21.135 699 1HG GLU 92 HG2 GLU 92 6.508 -2.101 -22.193 700 2HG GLU 92 HG1 GLU 92 6.581 -1.253 -23.739 701 HA PRO 93 HA PRO 93 0.454 0.935 -21.795 702 1HB PRO 93 HB2 PRO 93 -0.929 -0.747 -20.153 703 2HB PRO 93 HB1 PRO 93 -0.907 -0.934 -21.919 704 1HG PRO 93 HG2 PRO 93 0.608 -2.420 -19.841 705 2HG PRO 93 HG1 PRO 93 -0.105 -3.003 -21.351 706 1HD PRO 93 HD2 PRO 93 2.564 -2.483 -21.023 707 2HD PRO 93 HD1 PRO 93 1.726 -2.425 -22.585 708 H ALA 94 HN ALA 94 1.535 -1.041 -19.022 709 HA ALA 94 HA ALA 94 1.854 -0.440 -16.758 710 1HB ALA 94 HB1 ALA 94 3.288 1.605 -16.587 711 2HB ALA 94 HB2 ALA 94 2.944 1.947 -18.284 712 3HB ALA 94 HB3 ALA 94 3.835 0.488 -17.836 713 H LYS 95 HN LYS 95 -0.739 -0.145 -17.072 714 HA LYS 95 HA LYS 95 -1.765 2.555 -16.921 715 1HB LYS 95 HB2 LYS 95 -2.724 -0.056 -17.210 716 2HB LYS 95 HB1 LYS 95 -3.377 0.468 -15.654 717 1HG LYS 95 HG2 LYS 95 -4.974 1.564 -16.819 718 2HG LYS 95 HG1 LYS 95 -3.710 2.690 -17.314 719 1HD LYS 95 HD2 LYS 95 -3.276 0.650 -19.070 720 2HD LYS 95 HD1 LYS 95 -5.020 0.530 -18.859 721 1HE LYS 95 HE2 LYS 95 -4.865 3.193 -19.152 722 2HE LYS 95 HE1 LYS 95 -3.410 2.743 -20.066 723 1HZ LYS 95 HZ1 LYS 95 -6.189 1.798 -20.484 724 2HZ LYS 95 HZ2 LYS 95 -4.848 0.998 -21.146 725 3HZ LYS 95 HZ3 LYS 95 -5.185 2.603 -21.588 726 H GLU 96 HN GLU 96 -2.448 3.691 -15.053 727 HA GLU 96 HA GLU 96 -0.884 3.224 -12.620 728 1HB GLU 96 HB2 GLU 96 -1.860 5.364 -11.995 729 2HB GLU 96 HB1 GLU 96 -1.427 5.440 -13.705 730 1HG GLU 96 HG2 GLU 96 -3.752 4.852 -14.316 731 2HG GLU 96 HG1 GLU 96 -4.183 4.802 -12.605 732 H GLN 97 HN GLN 97 -3.552 1.655 -13.653 733 HA GLN 97 HA GLN 97 -5.207 1.936 -11.234 734 1HB GLN 97 HB2 GLN 97 -6.787 0.733 -12.491 735 2HB GLN 97 HB1 GLN 97 -5.882 1.606 -13.729 736 1HG GLN 97 HG2 GLN 97 -4.372 -0.490 -13.823 737 2HG GLN 97 HG1 GLN 97 -5.685 -1.302 -12.966 738 1HE2 GLN 97 HE21 GLN 97 -7.899 -1.194 -14.061 739 2HE2 GLN 97 HE22 GLN 97 -7.955 -1.102 -15.755 740 H LEU 98 HN LEU 98 -2.379 0.680 -11.238 741 HA LEU 98 HA LEU 98 -2.519 -2.111 -10.734 742 1HB LEU 98 HB2 LEU 98 -0.810 0.094 -9.516 743 2HB LEU 98 HB1 LEU 98 -0.446 -1.626 -9.399 744 HG LEU 98 HG LEU 98 -0.782 -0.154 -12.025 745 1HD1 LEU 98 HD11 LEU 98 1.851 -1.098 -10.919 746 2HD1 LEU 98 HD12 LEU 98 1.226 0.490 -10.471 747 3HD1 LEU 98 HD13 LEU 98 1.539 0.110 -12.165 748 1HD2 LEU 98 HD21 LEU 98 0.643 -2.302 -12.643 749 2HD2 LEU 98 HD22 LEU 98 -1.110 -2.387 -12.509 750 3HD2 LEU 98 HD23 LEU 98 -0.100 -2.945 -11.177 751 H TYR 99 HN TYR 99 -3.351 0.715 -8.886 752 HA TYR 99 HA TYR 99 -4.707 -0.981 -6.882 753 1HB TYR 99 HB2 TYR 99 -2.242 -0.153 -6.317 754 2HB TYR 99 HB1 TYR 99 -3.075 1.353 -5.935 755 HD1 TYR 99 HD1 TYR 99 -5.701 -0.339 -5.112 756 HD2 TYR 99 HD2 TYR 99 -1.570 -0.362 -3.919 757 HE1 TYR 99 HE1 TYR 99 -6.335 -1.239 -2.887 758 HE2 TYR 99 HE2 TYR 99 -2.216 -1.264 -1.701 759 HH TYR 99 HH TYR 99 -4.176 -2.619 -0.776 760 H HIS 100 HN HIS 100 -4.895 1.802 -5.376 761 HA HIS 100 HA HIS 100 -7.266 2.674 -6.951 762 1HB HIS 100 HB2 HIS 100 -7.719 3.965 -4.821 763 2HB HIS 100 HB1 HIS 100 -7.622 2.214 -4.608 764 HD2 HIS 100 HD2 HIS 100 -5.397 1.319 -3.091 765 HE1 HIS 100 HE1 HIS 100 -3.848 5.157 -2.224 766 HE2 HIS 100 HE2 HIS 100 -3.660 2.689 -1.748 767 H SER 101 HN SER 101 -7.600 5.213 -6.710 768 HA SER 101 HA SER 101 -5.597 6.506 -8.304 769 1HB SER 101 HB2 SER 101 -7.835 7.632 -6.598 770 2HB SER 101 HB1 SER 101 -7.025 8.482 -7.908 771 HG SER 101 HG SER 101 -7.692 6.355 -9.057 772 H ALA 102 HN ALA 102 -5.954 6.224 -4.829 773 HA ALA 102 HA ALA 102 -4.252 8.533 -4.253 774 1HB ALA 102 HB1 ALA 102 -5.637 8.207 -2.476 775 2HB ALA 102 HB2 ALA 102 -4.398 7.069 -1.947 776 3HB ALA 102 HB3 ALA 102 -5.822 6.490 -2.806 777 H GLU 103 HN GLU 103 -3.770 5.116 -4.856 778 HA GLU 103 HA GLU 103 -1.350 4.575 -3.574 779 1HB GLU 103 HB2 GLU 103 -1.177 2.852 -5.200 780 2HB GLU 103 HB1 GLU 103 -2.909 3.189 -5.133 781 1HG GLU 103 HG2 GLU 103 -2.581 4.786 -7.069 782 2HG GLU 103 HG1 GLU 103 -0.927 4.192 -7.199 783 H LEU 104 HN LEU 104 0.727 5.396 -3.824 784 HA LEU 104 HA LEU 104 1.162 7.440 -5.946 785 1HB LEU 104 HB2 LEU 104 2.315 6.724 -3.285 786 2HB LEU 104 HB1 LEU 104 3.391 7.505 -4.444 787 HG LEU 104 HG LEU 104 1.734 9.327 -4.734 788 1HD1 LEU 104 HD11 LEU 104 -0.359 8.425 -4.266 789 2HD1 LEU 104 HD12 LEU 104 -0.035 9.329 -2.787 790 3HD1 LEU 104 HD13 LEU 104 0.211 7.584 -2.824 791 1HD2 LEU 104 HD21 LEU 104 2.924 8.653 -2.071 792 2HD2 LEU 104 HD22 LEU 104 1.838 10.038 -2.167 793 3HD2 LEU 104 HD23 LEU 104 3.294 9.992 -3.155 794 H HIS 105 HN HIS 105 3.143 7.316 -7.249 795 HA HIS 105 HA HIS 105 4.014 4.488 -7.690 796 1HB HIS 105 HB2 HIS 105 3.869 6.945 -9.453 797 2HB HIS 105 HB1 HIS 105 4.654 5.450 -9.955 798 HD1 HIS 105 HD1 HIS 105 2.648 5.542 -11.821 799 HD2 HIS 105 HD2 HIS 105 1.523 4.668 -7.902 800 HE1 HIS 105 HE1 HIS 105 0.348 4.490 -11.954 801 H LEU 106 HN LEU 106 6.231 4.038 -7.750 802 HA LEU 106 HA LEU 106 8.076 6.316 -7.122 803 1HB LEU 106 HB2 LEU 106 7.470 4.943 -5.134 804 2HB LEU 106 HB1 LEU 106 8.062 3.506 -5.971 805 HG LEU 106 HG LEU 106 10.310 4.401 -6.060 806 1HD1 LEU 106 HD11 LEU 106 9.999 6.723 -6.433 807 2HD1 LEU 106 HD12 LEU 106 10.701 6.634 -4.816 808 3HD1 LEU 106 HD13 LEU 106 8.964 6.895 -5.014 809 1HD2 LEU 106 HD21 LEU 106 9.522 5.139 -3.276 810 2HD2 LEU 106 HD22 LEU 106 10.827 4.089 -3.826 811 3HD2 LEU 106 HD23 LEU 106 9.164 3.500 -3.819 812 H GLY 107 HN GLY 107 9.941 6.313 -8.373 813 1HA GLY 107 HA2 GLY 107 10.155 4.545 -10.616 814 2HA GLY 107 HA1 GLY 107 11.449 5.601 -10.036 815 H ILE 108 HN ILE 108 11.492 2.677 -10.864 816 HA ILE 108 HA ILE 108 11.793 0.975 -8.628 817 HB ILE 108 HB ILE 108 13.202 1.072 -11.308 818 1HG1 ILE 108 HG12 ILE 108 10.672 -0.392 -10.489 819 2HG1 ILE 108 HG11 ILE 108 10.691 1.117 -11.402 820 1HG2 ILE 108 HG21 ILE 108 12.973 -0.961 -9.141 821 2HG2 ILE 108 HG22 ILE 108 14.362 -0.533 -10.136 822 3HG2 ILE 108 HG23 ILE 108 13.054 -1.499 -10.817 823 1HD1 ILE 108 HD11 ILE 108 12.481 -0.462 -12.800 824 2HD1 ILE 108 HD12 ILE 108 10.801 -0.181 -13.252 825 3HD1 ILE 108 HD13 ILE 108 11.234 -1.613 -12.318 826 H HIS 109 HN HIS 109 14.203 2.956 -10.357 827 HA HIS 109 HA HIS 109 16.324 2.240 -8.461 828 1HB HIS 109 HB2 HIS 109 17.676 3.574 -9.960 829 2HB HIS 109 HB1 HIS 109 16.572 2.618 -10.945 830 HD1 HIS 109 HD1 HIS 109 15.000 3.882 -12.469 831 HD2 HIS 109 HD2 HIS 109 16.769 6.374 -9.632 832 HE1 HIS 109 HE1 HIS 109 14.345 6.251 -13.087 833 H GLN 110 HN GLN 110 13.723 4.181 -8.105 834 HA GLN 110 HA GLN 110 15.230 6.414 -6.823 835 1HB GLN 110 HB2 GLN 110 12.303 6.062 -7.537 836 2HB GLN 110 HB1 GLN 110 13.016 7.533 -6.878 837 1HG GLN 110 HG2 GLN 110 14.610 7.532 -8.840 838 2HG GLN 110 HG1 GLN 110 13.661 6.221 -9.531 839 1HE2 GLN 110 HE21 GLN 110 11.373 7.981 -7.929 840 2HE2 GLN 110 HE22 GLN 110 10.920 9.057 -9.161 841 H LEU 111 HN LEU 111 14.608 3.515 -5.797 842 HA LEU 111 HA LEU 111 12.808 3.651 -3.608 843 1HB LEU 111 HB2 LEU 111 15.374 2.136 -4.156 844 2HB LEU 111 HB1 LEU 111 14.451 1.864 -2.686 845 HG LEU 111 HG LEU 111 14.038 0.664 -5.216 846 1HD1 LEU 111 HD11 LEU 111 12.132 0.712 -2.868 847 2HD1 LEU 111 HD12 LEU 111 13.619 -0.227 -2.896 848 3HD1 LEU 111 HD13 LEU 111 12.339 -0.577 -4.052 849 1HD2 LEU 111 HD21 LEU 111 11.675 2.412 -4.452 850 2HD2 LEU 111 HD22 LEU 111 11.737 1.246 -5.778 851 3HD2 LEU 111 HD23 LEU 111 12.721 2.707 -5.841 852 H GLU 112 HN GLU 112 12.910 5.490 -2.458 853 HA GLU 112 HA GLU 112 14.712 5.848 -0.294 854 1HB GLU 112 HB2 GLU 112 16.326 7.344 -1.112 855 2HB GLU 112 HB1 GLU 112 16.081 6.352 -2.545 856 1HG GLU 112 HG2 GLU 112 14.340 8.012 -3.299 857 2HG GLU 112 HG1 GLU 112 14.830 9.040 -1.954 858 H GLN 113 HN GLN 113 12.525 7.175 -2.674 859 HA GLN 113 HA GLN 113 11.697 9.495 -1.075 860 1HB GLN 113 HB2 GLN 113 10.864 8.153 -3.653 861 2HB GLN 113 HB1 GLN 113 9.985 9.542 -3.009 862 1HG GLN 113 HG2 GLN 113 12.036 10.880 -3.016 863 2HG GLN 113 HG1 GLN 113 12.962 9.487 -3.586 864 1HE2 GLN 113 HE21 GLN 113 13.515 10.126 -5.695 865 2HE2 GLN 113 HE22 GLN 113 12.384 10.572 -6.881 866 H LEU 114 HN LEU 114 11.106 6.230 -0.886 867 HA LEU 114 HA LEU 114 8.378 5.818 -0.558 868 1HB LEU 114 HB2 LEU 114 10.851 4.792 0.794 869 2HB LEU 114 HB1 LEU 114 9.266 4.128 1.183 870 HG LEU 114 HG LEU 114 9.486 4.329 -1.656 871 1HD1 LEU 114 HD11 LEU 114 11.400 2.929 -2.122 872 2HD1 LEU 114 HD12 LEU 114 11.728 2.724 -0.400 873 3HD1 LEU 114 HD13 LEU 114 11.960 4.297 -1.160 874 1HD2 LEU 114 HD21 LEU 114 9.230 2.149 0.396 875 2HD2 LEU 114 HD22 LEU 114 9.404 1.740 -1.310 876 3HD2 LEU 114 HD23 LEU 114 8.037 2.716 -0.770 877 HA PRO 115 HA PRO 115 8.721 7.199 4.023 878 1HB PRO 115 HB2 PRO 115 10.618 9.082 4.616 879 2HB PRO 115 HB1 PRO 115 10.893 7.338 4.781 880 1HG PRO 115 HG2 PRO 115 11.692 9.160 2.557 881 2HG PRO 115 HG1 PRO 115 12.618 7.863 3.340 882 1HD PRO 115 HD2 PRO 115 11.412 7.522 0.970 883 2HD PRO 115 HD1 PRO 115 11.552 6.201 2.141 884 H TYR 116 HN TYR 116 9.910 9.761 1.794 885 HA TYR 116 HA TYR 116 7.982 11.707 2.753 886 1HB TYR 116 HB2 TYR 116 9.337 13.035 1.520 887 2HB TYR 116 HB1 TYR 116 10.261 11.601 1.097 888 HD1 TYR 116 HD1 TYR 116 7.078 13.333 0.113 889 HD2 TYR 116 HD2 TYR 116 10.532 11.118 -1.154 890 HE1 TYR 116 HE1 TYR 116 6.382 13.604 -2.255 891 HE2 TYR 116 HE2 TYR 116 9.837 11.386 -3.520 892 HH TYR 116 HH TYR 116 8.353 13.166 -4.810 893 H GLN 117 HN GLN 117 8.054 9.183 0.318 894 HA GLN 117 HA GLN 117 5.609 9.927 -1.055 895 1HB GLN 117 HB2 GLN 117 7.299 7.435 -0.807 896 2HB GLN 117 HB1 GLN 117 5.809 7.446 -1.748 897 1HG GLN 117 HG2 GLN 117 8.094 9.393 -2.170 898 2HG GLN 117 HG1 GLN 117 7.853 7.929 -3.122 899 1HE2 GLN 117 HE21 GLN 117 7.751 10.574 -4.292 900 2HE2 GLN 117 HE22 GLN 117 6.163 10.839 -4.834 901 H VAL 118 HN VAL 118 6.439 7.790 1.646 902 HA VAL 118 HA VAL 118 3.861 6.627 2.051 903 HB VAL 118 HB VAL 118 6.372 7.123 3.612 904 1HG1 VAL 118 HG11 VAL 118 4.389 7.597 5.172 905 2HG1 VAL 118 HG12 VAL 118 5.489 6.322 5.679 906 3HG1 VAL 118 HG13 VAL 118 3.941 5.909 4.944 907 1HG2 VAL 118 HG21 VAL 118 6.400 5.141 2.343 908 2HG2 VAL 118 HG22 VAL 118 4.713 4.784 2.695 909 3HG2 VAL 118 HG23 VAL 118 5.937 4.572 3.947 910 H ASP 119 HN ASP 119 5.390 9.476 3.614 911 HA ASP 119 HA ASP 119 3.101 10.321 5.099 912 1HB ASP 119 HB2 ASP 119 5.447 11.804 3.866 913 2HB ASP 119 HB1 ASP 119 4.350 12.516 5.049 914 H ALA 120 HN ALA 120 4.210 11.031 1.806 915 HA ALA 120 HA ALA 120 2.130 12.935 1.162 916 1HB ALA 120 HB1 ALA 120 3.140 12.867 -0.963 917 2HB ALA 120 HB2 ALA 120 3.549 11.158 -0.814 918 3HB ALA 120 HB3 ALA 120 4.466 12.366 0.087 919 H ALA 121 HN ALA 121 2.588 9.455 0.524 920 HA ALA 121 HA ALA 121 0.199 8.963 -0.928 921 1HB ALA 121 HB1 ALA 121 2.122 7.429 0.797 922 2HB ALA 121 HB2 ALA 121 1.769 7.230 -0.920 923 3HB ALA 121 HB3 ALA 121 0.639 6.628 0.289 924 H LEU 122 HN LEU 122 0.843 9.017 2.576 925 HA LEU 122 HA LEU 122 -1.677 8.032 3.454 926 1HB LEU 122 HB2 LEU 122 0.434 9.862 4.613 927 2HB LEU 122 HB1 LEU 122 -0.983 9.371 5.546 928 HG LEU 122 HG LEU 122 0.406 7.178 4.131 929 1HD1 LEU 122 HD11 LEU 122 1.781 7.598 6.620 930 2HD1 LEU 122 HD12 LEU 122 1.964 9.026 5.610 931 3HD1 LEU 122 HD13 LEU 122 2.457 7.448 5.001 932 1HD2 LEU 122 HD21 LEU 122 -0.835 6.059 5.635 933 2HD2 LEU 122 HD22 LEU 122 -1.375 7.590 6.323 934 3HD2 LEU 122 HD23 LEU 122 0.079 6.806 6.946 935 H ALA 123 HN ALA 123 -0.636 11.476 3.033 936 HA ALA 123 HA ALA 123 -3.251 12.531 3.652 937 1HB ALA 123 HB1 ALA 123 -2.110 14.365 1.966 938 2HB ALA 123 HB2 ALA 123 -0.689 13.453 2.486 939 3HB ALA 123 HB3 ALA 123 -1.723 14.236 3.684 940 H GLU 124 HN GLU 124 -1.687 11.501 0.621 941 HA GLU 124 HA GLU 124 -3.702 12.365 -1.199 942 1HB GLU 124 HB2 GLU 124 -1.415 11.530 -1.753 943 2HB GLU 124 HB1 GLU 124 -1.924 9.905 -1.288 944 1HG GLU 124 HG2 GLU 124 -2.190 9.992 -3.656 945 2HG GLU 124 HG1 GLU 124 -3.818 10.169 -2.990 946 H PHE 125 HN PHE 125 -3.311 9.216 0.496 947 HA PHE 125 HA PHE 125 -5.637 7.969 -0.588 948 1HB PHE 125 HB2 PHE 125 -3.747 6.914 0.697 949 2HB PHE 125 HB1 PHE 125 -4.411 7.627 2.166 950 HD1 PHE 125 HD1 PHE 125 -4.554 4.849 -0.084 951 HD2 PHE 125 HD2 PHE 125 -6.894 7.120 2.711 952 HE1 PHE 125 HE1 PHE 125 -6.150 2.962 0.115 953 HE2 PHE 125 HE2 PHE 125 -8.487 5.231 2.912 954 HZ PHE 125 HZ PHE 125 -8.111 3.154 1.619 955 H LEU 126 HN LEU 126 -5.226 9.893 2.409 956 HA LEU 126 HA LEU 126 -7.946 9.694 3.287 957 1HB LEU 126 HB2 LEU 126 -5.856 11.869 3.619 958 2HB LEU 126 HB1 LEU 126 -7.299 11.689 4.617 959 HG LEU 126 HG LEU 126 -5.090 9.632 4.327 960 1HD1 LEU 126 HD11 LEU 126 -4.963 10.221 6.877 961 2HD1 LEU 126 HD12 LEU 126 -5.772 11.710 6.395 962 3HD1 LEU 126 HD13 LEU 126 -4.200 11.302 5.712 963 1HD2 LEU 126 HD21 LEU 126 -7.099 8.438 4.718 964 2HD2 LEU 126 HD22 LEU 126 -7.735 9.688 5.788 965 3HD2 LEU 126 HD23 LEU 126 -6.413 8.651 6.331 966 H ARG 127 HN ARG 127 -6.269 12.107 1.281 967 HA ARG 127 HA ARG 127 -8.430 13.909 0.905 968 1HB ARG 127 HB2 ARG 127 -5.982 14.181 0.361 969 2HB ARG 127 HB1 ARG 127 -6.236 13.139 -1.040 970 1HG ARG 127 HG2 ARG 127 -7.918 14.704 -1.914 971 2HG ARG 127 HG1 ARG 127 -7.692 15.742 -0.508 972 1HD ARG 127 HD2 ARG 127 -5.333 16.104 -1.127 973 2HD ARG 127 HD1 ARG 127 -5.538 15.047 -2.538 974 HE ARG 127 HE ARG 127 -6.531 17.775 -2.307 975 1HH1 ARG 127 HH11 ARG 127 -7.068 14.635 -3.639 976 2HH1 ARG 127 HH12 ARG 127 -7.948 15.224 -5.005 977 1HH2 ARG 127 HH21 ARG 127 -7.679 18.554 -4.090 978 2HH2 ARG 127 HH22 ARG 127 -8.290 17.432 -5.265 979 H LEU 128 HN LEU 128 -7.518 10.956 -0.867 980 HA LEU 128 HA LEU 128 -9.781 11.301 -2.733 981 1HB LEU 128 HB2 LEU 128 -7.343 9.628 -2.473 982 2HB LEU 128 HB1 LEU 128 -8.689 8.959 -3.398 983 HG LEU 128 HG LEU 128 -8.739 10.886 -4.851 984 1HD1 LEU 128 HD11 LEU 128 -7.005 12.693 -4.546 985 2HD1 LEU 128 HD12 LEU 128 -6.623 11.980 -2.980 986 3HD1 LEU 128 HD13 LEU 128 -8.229 12.645 -3.276 987 1HD2 LEU 128 HD21 LEU 128 -7.169 9.329 -5.668 988 2HD2 LEU 128 HD22 LEU 128 -6.035 9.650 -4.356 989 3HD2 LEU 128 HD23 LEU 128 -6.260 10.838 -5.638 990 H ALA 129 HN ALA 129 -9.178 9.676 0.261 991 HA ALA 129 HA ALA 129 -10.826 7.386 -0.021 992 1HB ALA 129 HB1 ALA 129 -11.008 7.615 2.476 993 2HB ALA 129 HB2 ALA 129 -10.233 9.193 2.330 994 3HB ALA 129 HB3 ALA 129 -9.360 7.733 1.866 995 HA PRO 130 HA PRO 130 -12.271 6.199 0.287 996 1HB PRO 130 HB2 PRO 130 -14.370 5.356 -1.257 997 2HB PRO 130 HB1 PRO 130 -14.465 5.495 0.510 998 1HG PRO 130 HG2 PRO 130 -15.506 7.308 -1.591 999 2HG PRO 130 HG1 PRO 130 -16.188 6.898 -0.012 1000 1HD PRO 130 HD2 PRO 130 -14.855 9.235 -0.586 1001 2HD PRO 130 HD1 PRO 130 -15.037 8.552 1.043 1002 H VAL 131 HN VAL 131 -10.590 6.014 -1.188 1003 HA VAL 131 HA VAL 131 -10.492 7.396 -3.707 1004 HB VAL 131 HB VAL 131 -8.508 5.882 -4.053 1005 1HG1 VAL 131 HG11 VAL 131 -8.972 7.760 -1.922 1006 2HG1 VAL 131 HG12 VAL 131 -7.501 7.488 -2.847 1007 3HG1 VAL 131 HG13 VAL 131 -7.818 6.543 -1.393 1008 1HG2 VAL 131 HG21 VAL 131 -8.431 4.733 -1.434 1009 2HG2 VAL 131 HG22 VAL 131 -8.440 3.902 -2.991 1010 3HG2 VAL 131 HG23 VAL 131 -9.961 4.280 -2.185 1011 H GLU 132 HN GLU 132 -10.408 6.327 -5.848 1012 HA GLU 132 HA GLU 132 -12.507 4.239 -6.087 1013 1HB GLU 132 HB2 GLU 132 -11.776 6.562 -7.470 1014 2HB GLU 132 HB1 GLU 132 -11.258 5.249 -8.528 1015 1HG GLU 132 HG2 GLU 132 -13.439 4.337 -8.657 1016 2HG GLU 132 HG1 GLU 132 -13.995 5.259 -7.261 1017 H THR 133 HN THR 133 -11.394 2.302 -5.526 1018 HA THR 133 HA THR 133 -8.729 1.679 -6.415 1019 HB THR 133 HB THR 133 -9.644 -0.703 -5.809 1020 HG1 THR 133 HG1 THR 133 -11.676 -0.745 -5.367 1021 1HG2 THR 133 HG21 THR 133 -9.338 1.676 -3.988 1022 2HG2 THR 133 HG22 THR 133 -8.207 0.358 -4.279 1023 3HG2 THR 133 HG23 THR 133 -9.669 0.069 -3.334 1024 H MET 134 HN MET 134 -11.887 1.338 -7.891 1025 HA MET 134 HA MET 134 -12.487 0.634 -10.069 1026 1HB MET 134 HB2 MET 134 -9.488 0.868 -10.466 1027 2HB MET 134 HB1 MET 134 -10.724 0.954 -11.723 1028 1HG MET 134 HG2 MET 134 -10.618 2.837 -9.358 1029 2HG MET 134 HG1 MET 134 -9.898 3.205 -10.923 1030 1HE MET 134 HE1 MET 134 -12.708 3.423 -13.381 1031 2HE MET 134 HE2 MET 134 -11.182 2.607 -13.072 1032 3HE MET 134 HE3 MET 134 -11.293 4.357 -12.876 1033 H ALA 135 HN ALA 135 -11.707 -1.320 -7.952 1034 HA ALA 135 HA ALA 135 -10.723 -3.589 -9.645 1035 1HB ALA 135 HB1 ALA 135 -10.605 -4.573 -7.175 1036 2HB ALA 135 HB2 ALA 135 -10.641 -2.862 -6.734 1037 3HB ALA 135 HB3 ALA 135 -9.349 -3.483 -7.768 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -2.891 8.756 13.040 2 2H MET 1 HT2 MET 1 -3.915 8.995 14.373 3 3H MET 1 HT3 MET 1 -4.166 7.677 13.334 4 HA MET 1 HA MET 1 -2.749 7.614 15.671 5 1HB MET 1 HB2 MET 1 -2.750 5.863 13.188 6 2HB MET 1 HB1 MET 1 -2.163 5.338 14.766 7 1HG MET 1 HG2 MET 1 -4.438 5.968 15.704 8 2HG MET 1 HG1 MET 1 -4.981 6.172 14.040 9 1HE MET 1 HE1 MET 1 -4.258 4.728 12.329 10 2HE MET 1 HE2 MET 1 -5.252 3.273 12.336 11 3HE MET 1 HE3 MET 1 -3.505 3.138 12.523 12 H LEU 2 HN LEU 2 -1.268 9.598 15.109 13 HA LEU 2 HA LEU 2 0.988 9.236 13.351 14 1HB LEU 2 HB2 LEU 2 0.238 11.428 14.021 15 2HB LEU 2 HB1 LEU 2 0.416 11.025 15.729 16 HG LEU 2 HG LEU 2 2.882 10.669 15.295 17 1HD1 LEU 2 HD11 LEU 2 3.348 10.436 13.077 18 2HD1 LEU 2 HD12 LEU 2 3.403 12.198 13.093 19 3HD1 LEU 2 HD13 LEU 2 1.933 11.367 12.583 20 1HD2 LEU 2 HD21 LEU 2 1.807 13.432 14.642 21 2HD2 LEU 2 HD22 LEU 2 3.400 13.064 15.302 22 3HD2 LEU 2 HD23 LEU 2 1.955 12.769 16.269 23 H SER 3 HN SER 3 0.289 7.967 16.494 24 HA SER 3 HA SER 3 2.702 7.812 17.843 25 1HB SER 3 HB2 SER 3 0.648 5.649 17.291 26 2HB SER 3 HB1 SER 3 1.881 5.529 18.541 27 HG SER 3 HG SER 3 -0.103 7.553 18.302 28 H GLN 4 HN GLN 4 1.684 5.508 15.320 29 HA GLN 4 HA GLN 4 4.424 5.346 14.268 30 1HB GLN 4 HB2 GLN 4 3.014 3.077 15.697 31 2HB GLN 4 HB1 GLN 4 4.429 2.841 14.666 32 1HG GLN 4 HG2 GLN 4 5.601 4.599 16.078 33 2HG GLN 4 HG1 GLN 4 4.241 4.483 17.196 34 1HE2 GLN 4 HE21 GLN 4 7.265 3.092 16.392 35 2HE2 GLN 4 HE22 GLN 4 7.132 1.686 17.330 36 H ILE 5 HN ILE 5 4.458 4.345 12.174 37 HA ILE 5 HA ILE 5 1.766 4.168 10.909 38 HB ILE 5 HB ILE 5 4.583 4.470 9.832 39 1HG1 ILE 5 HG12 ILE 5 2.268 6.422 10.044 40 2HG1 ILE 5 HG11 ILE 5 3.732 6.448 11.029 41 1HG2 ILE 5 HG21 ILE 5 2.537 3.356 8.455 42 2HG2 ILE 5 HG22 ILE 5 3.776 4.354 7.699 43 3HG2 ILE 5 HG23 ILE 5 2.222 5.062 8.137 44 1HD1 ILE 5 HD11 ILE 5 4.756 7.663 9.440 45 2HD1 ILE 5 HD12 ILE 5 3.322 7.570 8.418 46 3HD1 ILE 5 HD13 ILE 5 4.561 6.319 8.316 47 H ALA 6 HN ALA 6 1.020 2.233 10.093 48 HA ALA 6 HA ALA 6 2.750 -0.165 10.397 49 1HB ALA 6 HB1 ALA 6 0.396 -1.161 9.719 50 2HB ALA 6 HB2 ALA 6 -0.173 0.462 10.114 51 3HB ALA 6 HB3 ALA 6 0.639 -0.512 11.341 52 H ILE 7 HN ILE 7 3.904 -0.722 8.573 53 HA ILE 7 HA ILE 7 2.618 -0.163 5.919 54 HB ILE 7 HB ILE 7 5.551 -0.166 6.703 55 1HG1 ILE 7 HG12 ILE 7 3.551 2.057 6.191 56 2HG1 ILE 7 HG11 ILE 7 4.430 1.741 7.684 57 1HG2 ILE 7 HG21 ILE 7 6.066 0.205 4.500 58 2HG2 ILE 7 HG22 ILE 7 4.567 1.082 4.191 59 3HG2 ILE 7 HG23 ILE 7 4.563 -0.680 4.235 60 1HD1 ILE 7 HD11 ILE 7 5.632 3.512 6.673 61 2HD1 ILE 7 HD12 ILE 7 5.501 2.798 5.068 62 3HD1 ILE 7 HD13 ILE 7 6.571 2.073 6.266 63 H CYS 8 HN CYS 8 2.349 -1.902 4.609 64 HA CYS 8 HA CYS 8 3.782 -4.447 5.308 65 1HB CYS 8 HB2 CYS 8 1.197 -4.136 5.585 66 2HB CYS 8 HB1 CYS 8 1.161 -4.231 3.825 67 HG CYS 8 HG CYS 8 1.394 -6.601 5.612 68 H ILE 9 HN ILE 9 5.393 -4.695 3.774 69 HA ILE 9 HA ILE 9 4.868 -3.720 0.998 70 HB ILE 9 HB ILE 9 6.864 -2.927 2.149 71 1HG1 ILE 9 HG12 ILE 9 7.621 -5.068 0.135 72 2HG1 ILE 9 HG11 ILE 9 6.975 -3.492 -0.311 73 1HG2 ILE 9 HG21 ILE 9 6.853 -5.629 3.096 74 2HG2 ILE 9 HG22 ILE 9 7.834 -4.273 3.652 75 3HG2 ILE 9 HG23 ILE 9 8.407 -5.293 2.332 76 1HD1 ILE 9 HD11 ILE 9 9.683 -4.218 0.486 77 2HD1 ILE 9 HD12 ILE 9 9.046 -2.884 1.449 78 3HD1 ILE 9 HD13 ILE 9 9.102 -2.756 -0.308 79 H TRP 10 HN TRP 10 4.900 -5.114 -0.724 80 HA TRP 10 HA TRP 10 5.348 -8.019 -0.101 81 1HB TRP 10 HB2 TRP 10 3.051 -7.695 -0.690 82 2HB TRP 10 HB1 TRP 10 3.477 -6.619 -2.025 83 HD1 TRP 10 HD1 TRP 10 5.557 -9.719 -1.514 84 HE1 TRP 10 HE1 TRP 10 5.131 -11.380 -3.438 85 HE3 TRP 10 HE3 TRP 10 1.577 -7.443 -3.764 86 HZ2 TRP 10 HZ2 TRP 10 3.325 -11.707 -5.630 87 HZ3 TRP 10 HZ3 TRP 10 0.529 -8.452 -5.769 88 HH2 TRP 10 HH2 TRP 10 1.394 -10.578 -6.703 89 H VAL 11 HN VAL 11 7.433 -8.376 -0.793 90 HA VAL 11 HA VAL 11 8.070 -7.605 -3.613 91 HB VAL 11 HB VAL 11 9.642 -7.176 -1.068 92 1HG1 VAL 11 HG11 VAL 11 10.538 -7.497 -3.886 93 2HG1 VAL 11 HG12 VAL 11 11.410 -7.821 -2.387 94 3HG1 VAL 11 HG13 VAL 11 11.253 -6.165 -2.976 95 1HG2 VAL 11 HG21 VAL 11 7.973 -5.562 -2.747 96 2HG2 VAL 11 HG22 VAL 11 9.628 -4.964 -2.859 97 3HG2 VAL 11 HG23 VAL 11 8.839 -5.087 -1.287 98 H GLU 12 HN GLU 12 9.199 -9.196 -4.729 99 HA GLU 12 HA GLU 12 9.579 -11.763 -3.309 100 1HB GLU 12 HB2 GLU 12 9.399 -10.812 -6.157 101 2HB GLU 12 HB1 GLU 12 10.032 -12.422 -5.810 102 1HG GLU 12 HG2 GLU 12 7.891 -12.682 -4.345 103 2HG GLU 12 HG1 GLU 12 7.284 -11.313 -5.279 104 H SER 13 HN SER 13 11.426 -9.086 -4.424 105 HA SER 13 HA SER 13 13.958 -10.690 -4.369 106 1HB SER 13 HB2 SER 13 13.125 -9.066 -6.291 107 2HB SER 13 HB1 SER 13 13.724 -7.812 -5.213 108 HG SER 13 HG SER 13 15.443 -9.929 -5.487 109 H THR 14 HN THR 14 14.826 -10.659 -2.313 110 HA THR 14 HA THR 14 14.199 -8.977 -0.180 111 HB THR 14 HB THR 14 16.937 -10.084 -0.891 112 HG1 THR 14 HG1 THR 14 16.161 -11.985 -0.406 113 1HG2 THR 14 HG21 THR 14 16.195 -8.524 1.251 114 2HG2 THR 14 HG22 THR 14 17.544 -9.660 1.252 115 3HG2 THR 14 HG23 THR 14 15.972 -10.153 1.886 116 H ALA 15 HN ALA 15 16.670 -8.435 -2.709 117 HA ALA 15 HA ALA 15 17.828 -6.058 -1.732 118 1HB ALA 15 HB1 ALA 15 18.239 -5.632 -4.180 119 2HB ALA 15 HB2 ALA 15 17.117 -6.940 -4.552 120 3HB ALA 15 HB3 ALA 15 18.620 -7.285 -3.695 121 H ILE 16 HN ILE 16 14.966 -6.388 -3.876 122 HA ILE 16 HA ILE 16 14.305 -3.584 -3.865 123 HB ILE 16 HB ILE 16 12.688 -6.112 -4.328 124 1HG1 ILE 16 HG12 ILE 16 13.900 -4.174 -6.319 125 2HG1 ILE 16 HG11 ILE 16 14.700 -5.657 -5.801 126 1HG2 ILE 16 HG21 ILE 16 11.774 -3.461 -4.005 127 2HG2 ILE 16 HG22 ILE 16 10.866 -4.831 -4.649 128 3HG2 ILE 16 HG23 ILE 16 11.758 -3.767 -5.739 129 1HD1 ILE 16 HD11 ILE 16 12.838 -6.997 -6.631 130 2HD1 ILE 16 HD12 ILE 16 13.426 -5.950 -7.923 131 3HD1 ILE 16 HD13 ILE 16 11.945 -5.538 -7.060 132 H LEU 17 HN LEU 17 13.234 -6.368 -1.918 133 HA LEU 17 HA LEU 17 11.277 -5.014 -0.336 134 1HB LEU 17 HB2 LEU 17 11.229 -7.335 -0.177 135 2HB LEU 17 HB1 LEU 17 12.982 -7.472 -0.181 136 HG LEU 17 HG LEU 17 11.745 -8.011 2.017 137 1HD1 LEU 17 HD11 LEU 17 14.259 -7.118 1.473 138 2HD1 LEU 17 HD12 LEU 17 13.718 -7.631 3.070 139 3HD1 LEU 17 HD13 LEU 17 13.727 -5.919 2.651 140 1HD2 LEU 17 HD21 LEU 17 10.966 -5.229 1.631 141 2HD2 LEU 17 HD22 LEU 17 11.817 -5.447 3.157 142 3HD2 LEU 17 HD23 LEU 17 10.377 -6.401 2.808 143 H GLN 18 HN GLN 18 14.787 -5.346 -0.047 144 HA GLN 18 HA GLN 18 14.962 -4.087 2.567 145 1HB GLN 18 HB2 GLN 18 16.901 -4.703 0.320 146 2HB GLN 18 HB1 GLN 18 17.418 -3.967 1.835 147 1HG GLN 18 HG2 GLN 18 16.420 -5.892 3.069 148 2HG GLN 18 HG1 GLN 18 16.033 -6.643 1.524 149 1HE2 GLN 18 HE21 GLN 18 17.814 -7.915 3.365 150 2HE2 GLN 18 HE22 GLN 18 19.370 -7.920 2.691 151 H ASP 19 HN ASP 19 15.749 -2.950 -0.740 152 HA ASP 19 HA ASP 19 16.443 -0.294 -0.130 153 1HB ASP 19 HB2 ASP 19 14.945 -1.499 -2.479 154 2HB ASP 19 HB1 ASP 19 15.667 0.111 -2.490 155 H CYS 20 HN CYS 20 13.192 -1.686 -0.678 156 HA CYS 20 HA CYS 20 11.712 0.753 -0.535 157 1HB CYS 20 HB2 CYS 20 11.018 -2.088 0.271 158 2HB CYS 20 HB1 CYS 20 9.842 -0.801 0.011 159 HG CYS 20 HG CYS 20 10.986 -0.710 -2.514 160 H GLN 21 HN GLN 21 12.398 -1.678 2.007 161 HA GLN 21 HA GLN 21 11.255 -0.067 4.119 162 1HB GLN 21 HB2 GLN 21 13.138 -2.445 4.071 163 2HB GLN 21 HB1 GLN 21 12.325 -1.846 5.520 164 1HG GLN 21 HG2 GLN 21 10.130 -2.114 4.276 165 2HG GLN 21 HG1 GLN 21 11.028 -2.953 3.015 166 1HE2 GLN 21 HE21 GLN 21 12.893 -4.142 5.082 167 2HE2 GLN 21 HE22 GLN 21 11.999 -5.382 5.818 168 H ARG 22 HN ARG 22 14.465 -0.351 2.678 169 HA ARG 22 HA ARG 22 16.095 0.846 4.654 170 1HB ARG 22 HB2 ARG 22 16.137 0.237 1.868 171 2HB ARG 22 HB1 ARG 22 16.635 1.922 2.030 172 1HG ARG 22 HG2 ARG 22 18.640 0.633 2.235 173 2HG ARG 22 HG1 ARG 22 18.219 1.136 3.872 174 1HD ARG 22 HD2 ARG 22 17.417 -1.008 4.461 175 2HD ARG 22 HD1 ARG 22 17.264 -1.511 2.766 176 HE ARG 22 HE ARG 22 19.985 -0.773 3.308 177 1HH1 ARG 22 HH11 ARG 22 17.610 -3.201 3.937 178 2HH1 ARG 22 HH12 ARG 22 18.769 -4.476 4.097 179 1HH2 ARG 22 HH21 ARG 22 21.504 -2.418 3.514 180 2HH2 ARG 22 HH22 ARG 22 20.979 -4.031 3.861 181 H ALA 23 HN ALA 23 14.143 2.358 2.099 182 HA ALA 23 HA ALA 23 14.535 5.077 2.991 183 1HB ALA 23 HB1 ALA 23 13.741 4.154 0.725 184 2HB ALA 23 HB2 ALA 23 12.828 5.530 1.347 185 3HB ALA 23 HB3 ALA 23 12.178 3.897 1.492 186 H LEU 24 HN LEU 24 11.811 2.746 3.353 187 HA LEU 24 HA LEU 24 10.545 4.376 5.445 188 1HB LEU 24 HB2 LEU 24 10.048 1.582 4.363 189 2HB LEU 24 HB1 LEU 24 8.946 2.477 5.408 190 HG LEU 24 HG LEU 24 9.875 3.392 2.680 191 1HD1 LEU 24 HD11 LEU 24 7.060 2.997 2.873 192 2HD1 LEU 24 HD12 LEU 24 7.851 1.533 3.457 193 3HD1 LEU 24 HD13 LEU 24 8.209 2.143 1.840 194 1HD2 LEU 24 HD21 LEU 24 7.987 4.509 4.745 195 2HD2 LEU 24 HD22 LEU 24 7.906 4.984 3.056 196 3HD2 LEU 24 HD23 LEU 24 9.368 5.309 3.991 197 H SER 25 HN SER 25 12.799 4.137 6.653 198 HA SER 25 HA SER 25 12.719 1.653 8.332 199 1HB SER 25 HB2 SER 25 14.781 2.915 6.748 200 2HB SER 25 HB1 SER 25 15.274 2.888 8.436 201 HG SER 25 HG SER 25 15.709 0.868 8.083 202 H ALA 26 HN ALA 26 11.230 4.091 8.848 203 HA ALA 26 HA ALA 26 12.679 5.686 10.819 204 1HB ALA 26 HB1 ALA 26 10.033 5.550 9.505 205 2HB ALA 26 HB2 ALA 26 11.022 6.959 9.896 206 3HB ALA 26 HB3 ALA 26 10.013 6.218 11.137 207 H ASP 27 HN ASP 27 12.263 5.680 13.087 208 HA ASP 27 HA ASP 27 11.969 3.151 14.358 209 1HB ASP 27 HB2 ASP 27 13.083 5.236 15.212 210 2HB ASP 27 HB1 ASP 27 11.485 5.929 15.477 211 H ARG 28 HN ARG 28 9.587 5.436 13.240 212 HA ARG 28 HA ARG 28 7.445 4.164 14.876 213 1HB ARG 28 HB2 ARG 28 6.165 6.101 14.259 214 2HB ARG 28 HB1 ARG 28 7.791 6.688 14.602 215 1HG ARG 28 HG2 ARG 28 8.322 6.660 12.193 216 2HG ARG 28 HG1 ARG 28 6.705 6.050 11.841 217 1HD ARG 28 HD2 ARG 28 5.693 8.091 12.759 218 2HD ARG 28 HD1 ARG 28 7.294 8.714 13.187 219 HE ARG 28 HE ARG 28 6.264 8.348 10.419 220 1HH1 ARG 28 HH11 ARG 28 8.846 9.243 12.566 221 2HH1 ARG 28 HH12 ARG 28 9.650 10.205 11.377 222 1HH2 ARG 28 HH21 ARG 28 7.330 9.592 8.887 223 2HH2 ARG 28 HH22 ARG 28 8.804 10.400 9.308 224 H TYR 29 HN TYR 29 8.924 3.089 12.324 225 HA TYR 29 HA TYR 29 6.553 2.758 10.544 226 1HB TYR 29 HB2 TYR 29 9.521 2.678 10.280 227 2HB TYR 29 HB1 TYR 29 8.580 1.681 9.171 228 HD1 TYR 29 HD1 TYR 29 6.851 4.575 10.427 229 HD2 TYR 29 HD2 TYR 29 9.532 3.223 7.368 230 HE1 TYR 29 HE1 TYR 29 6.306 6.570 9.078 231 HE2 TYR 29 HE2 TYR 29 9.000 5.230 6.024 232 HH TYR 29 HH TYR 29 8.146 7.600 6.502 233 H GLN 30 HN GLN 30 5.614 0.821 10.223 234 HA GLN 30 HA GLN 30 6.781 -1.569 11.623 235 1HB GLN 30 HB2 GLN 30 4.322 -0.272 11.933 236 2HB GLN 30 HB1 GLN 30 3.941 -1.660 10.912 237 1HG GLN 30 HG2 GLN 30 5.432 -2.971 12.638 238 2HG GLN 30 HG1 GLN 30 5.057 -1.611 13.695 239 1HE2 GLN 30 HE21 GLN 30 2.955 -1.519 14.610 240 2HE2 GLN 30 HE22 GLN 30 1.739 -2.656 14.280 241 H LEU 31 HN LEU 31 7.994 -2.124 9.713 242 HA LEU 31 HA LEU 31 6.604 -2.455 7.148 243 1HB LEU 31 HB2 LEU 31 9.406 -3.241 7.971 244 2HB LEU 31 HB1 LEU 31 8.833 -2.838 6.353 245 HG LEU 31 HG LEU 31 9.031 -0.953 8.714 246 1HD1 LEU 31 HD11 LEU 31 10.965 -0.205 7.798 247 2HD1 LEU 31 HD12 LEU 31 10.342 -0.333 6.152 248 3HD1 LEU 31 HD13 LEU 31 10.985 -1.758 6.968 249 1HD2 LEU 31 HD21 LEU 31 7.293 0.087 7.680 250 2HD2 LEU 31 HD22 LEU 31 7.488 -0.861 6.205 251 3HD2 LEU 31 HD23 LEU 31 8.493 0.561 6.479 252 H GLN 32 HN GLN 32 5.413 -4.280 6.816 253 HA GLN 32 HA GLN 32 6.328 -6.857 8.031 254 1HB GLN 32 HB2 GLN 32 4.020 -6.142 8.507 255 2HB GLN 32 HB1 GLN 32 3.705 -5.958 6.782 256 1HG GLN 32 HG2 GLN 32 2.811 -8.097 7.469 257 2HG GLN 32 HG1 GLN 32 4.251 -8.401 6.499 258 1HE2 GLN 32 HE21 GLN 32 5.436 -10.071 7.429 259 2HE2 GLN 32 HE22 GLN 32 5.681 -10.282 9.096 260 H VAL 33 HN VAL 33 7.543 -8.064 6.606 261 HA VAL 33 HA VAL 33 7.352 -7.513 3.712 262 HB VAL 33 HB VAL 33 9.091 -9.426 5.300 263 1HG1 VAL 33 HG11 VAL 33 10.558 -9.305 3.336 264 2HG1 VAL 33 HG12 VAL 33 9.440 -8.191 2.548 265 3HG1 VAL 33 HG13 VAL 33 8.954 -9.860 2.851 266 1HG2 VAL 33 HG21 VAL 33 10.026 -7.539 6.125 267 2HG2 VAL 33 HG22 VAL 33 9.051 -6.520 5.065 268 3HG2 VAL 33 HG23 VAL 33 10.573 -7.196 4.482 269 H CYS 34 HN CYS 34 6.170 -8.738 2.350 270 HA CYS 34 HA CYS 34 5.119 -11.364 3.344 271 1HB CYS 34 HB2 CYS 34 4.123 -9.493 1.167 272 2HB CYS 34 HB1 CYS 34 3.282 -10.921 1.775 273 HG CYS 34 HG CYS 34 2.320 -9.415 3.489 274 H GLU 35 HN GLU 35 6.316 -13.026 2.505 275 HA GLU 35 HA GLU 35 8.078 -12.860 0.288 276 1HB GLU 35 HB2 GLU 35 6.650 -15.176 1.624 277 2HB GLU 35 HB1 GLU 35 7.984 -15.372 0.488 278 1HG GLU 35 HG2 GLU 35 9.409 -13.955 1.960 279 2HG GLU 35 HG1 GLU 35 8.082 -13.865 3.119 280 H SER 36 HN SER 36 4.612 -13.610 0.424 281 HA SER 36 HA SER 36 4.690 -13.948 -2.564 282 1HB SER 36 HB2 SER 36 3.055 -15.630 -2.342 283 2HB SER 36 HB1 SER 36 4.105 -15.914 -0.958 284 HG SER 36 HG SER 36 1.802 -15.845 -0.500 285 H GLY 37 HN GLY 37 1.993 -13.734 -3.110 286 1HA GLY 37 HA2 GLY 37 1.442 -10.903 -2.372 287 2HA GLY 37 HA1 GLY 37 0.753 -11.750 -3.765 288 H GLU 38 HN GLU 38 0.386 -14.165 -2.070 289 HA GLU 38 HA GLU 38 -2.323 -13.673 -1.188 290 1HB GLU 38 HB2 GLU 38 -0.302 -15.867 -1.343 291 2HB GLU 38 HB1 GLU 38 -1.651 -16.100 -0.245 292 1HG GLU 38 HG2 GLU 38 -2.078 -15.215 -3.095 293 2HG GLU 38 HG1 GLU 38 -1.961 -16.924 -2.668 294 H MET 39 HN MET 39 0.839 -14.132 0.320 295 HA MET 39 HA MET 39 0.052 -14.200 3.043 296 1HB MET 39 HB2 MET 39 2.508 -13.315 1.521 297 2HB MET 39 HB1 MET 39 2.474 -13.315 3.282 298 1HG MET 39 HG2 MET 39 2.010 -15.684 3.346 299 2HG MET 39 HG1 MET 39 1.785 -15.736 1.598 300 1HE MET 39 HE1 MET 39 4.942 -17.796 1.890 301 2HE MET 39 HE2 MET 39 3.182 -17.755 1.816 302 3HE MET 39 HE3 MET 39 3.993 -17.649 3.376 303 H LEU 40 HN LEU 40 0.721 -11.494 0.847 304 HA LEU 40 HA LEU 40 0.619 -9.369 2.758 305 1HB LEU 40 HB2 LEU 40 1.356 -9.457 0.274 306 2HB LEU 40 HB1 LEU 40 -0.353 -9.269 -0.109 307 HG LEU 40 HG LEU 40 0.365 -7.054 -0.117 308 1HD1 LEU 40 HD11 LEU 40 -0.258 -7.463 2.819 309 2HD1 LEU 40 HD12 LEU 40 -1.479 -7.386 1.549 310 3HD1 LEU 40 HD13 LEU 40 -0.472 -5.980 1.889 311 1HD2 LEU 40 HD21 LEU 40 2.324 -6.364 0.778 312 2HD2 LEU 40 HD22 LEU 40 2.591 -8.060 1.180 313 3HD2 LEU 40 HD23 LEU 40 1.899 -6.967 2.379 314 H LEU 41 HN LEU 41 -1.939 -10.895 0.765 315 HA LEU 41 HA LEU 41 -4.085 -9.207 1.581 316 1HB LEU 41 HB2 LEU 41 -4.032 -12.141 0.797 317 2HB LEU 41 HB1 LEU 41 -5.451 -11.096 0.749 318 HG LEU 41 HG LEU 41 -2.894 -10.669 -0.819 319 1HD1 LEU 41 HD11 LEU 41 -3.960 -12.376 -1.969 320 2HD1 LEU 41 HD12 LEU 41 -4.712 -10.963 -2.709 321 3HD1 LEU 41 HD13 LEU 41 -5.567 -11.860 -1.455 322 1HD2 LEU 41 HD21 LEU 41 -3.594 -8.544 -1.064 323 2HD2 LEU 41 HD22 LEU 41 -4.992 -8.871 -0.040 324 3HD2 LEU 41 HD23 LEU 41 -5.094 -9.132 -1.781 325 H GLU 42 HN GLU 42 -2.786 -12.208 2.997 326 HA GLU 42 HA GLU 42 -4.751 -12.607 5.018 327 1HB GLU 42 HB2 GLU 42 -2.936 -14.183 4.313 328 2HB GLU 42 HB1 GLU 42 -1.756 -13.120 5.078 329 1HG GLU 42 HG2 GLU 42 -2.094 -14.336 6.951 330 2HG GLU 42 HG1 GLU 42 -3.641 -13.499 7.074 331 H TYR 43 HN TYR 43 -1.715 -10.715 5.064 332 HA TYR 43 HA TYR 43 -1.905 -9.846 7.792 333 1HB TYR 43 HB2 TYR 43 0.168 -9.712 6.626 334 2HB TYR 43 HB1 TYR 43 -0.562 -8.847 5.276 335 HD1 TYR 43 HD1 TYR 43 1.029 -8.545 8.511 336 HD2 TYR 43 HD2 TYR 43 -1.426 -6.493 5.648 337 HE1 TYR 43 HE1 TYR 43 1.595 -6.379 9.578 338 HE2 TYR 43 HE2 TYR 43 -0.864 -4.328 6.717 339 HH TYR 43 HH TYR 43 -0.042 -3.721 9.320 340 H ALA 44 HN ALA 44 -2.881 -8.250 4.732 341 HA ALA 44 HA ALA 44 -4.056 -5.966 6.108 342 1HB ALA 44 HB1 ALA 44 -4.428 -5.204 3.911 343 2HB ALA 44 HB2 ALA 44 -4.607 -6.839 3.278 344 3HB ALA 44 HB3 ALA 44 -3.012 -6.239 3.732 345 H GLN 45 HN GLN 45 -5.209 -9.098 5.009 346 HA GLN 45 HA GLN 45 -8.000 -8.563 4.794 347 1HB GLN 45 HB2 GLN 45 -6.210 -10.899 5.295 348 2HB GLN 45 HB1 GLN 45 -7.933 -11.119 5.601 349 1HG GLN 45 HG2 GLN 45 -8.513 -10.598 3.373 350 2HG GLN 45 HG1 GLN 45 -6.931 -9.892 3.040 351 1HE2 GLN 45 HE21 GLN 45 -7.410 -11.688 1.175 352 2HE2 GLN 45 HE22 GLN 45 -6.701 -13.200 1.483 353 H THR 46 HN THR 46 -5.980 -8.535 7.571 354 HA THR 46 HA THR 46 -8.421 -8.597 9.311 355 HB THR 46 HB THR 46 -7.301 -10.061 10.804 356 HG1 THR 46 HG1 THR 46 -5.117 -10.333 10.792 357 1HG2 THR 46 HG21 THR 46 -6.046 -11.149 8.330 358 2HG2 THR 46 HG22 THR 46 -7.784 -10.854 8.273 359 3HG2 THR 46 HG23 THR 46 -7.112 -11.942 9.490 360 H HIS 47 HN HIS 47 -6.829 -6.313 8.193 361 HA HIS 47 HA HIS 47 -6.605 -4.730 10.606 362 1HB HIS 47 HB2 HIS 47 -4.340 -6.326 9.678 363 2HB HIS 47 HB1 HIS 47 -3.936 -4.613 9.765 364 HD1 HIS 47 HD1 HIS 47 -2.378 -5.400 11.829 365 HD2 HIS 47 HD2 HIS 47 -6.490 -5.657 12.462 366 HE1 HIS 47 HE1 HIS 47 -2.706 -5.605 14.332 367 H ARG 48 HN ARG 48 -7.574 -4.685 7.711 368 HA ARG 48 HA ARG 48 -6.211 -3.082 5.915 369 1HB ARG 48 HB2 ARG 48 -8.992 -2.185 6.552 370 2HB ARG 48 HB1 ARG 48 -8.280 -2.580 4.993 371 1HG ARG 48 HG2 ARG 48 -8.266 -5.012 5.796 372 2HG ARG 48 HG1 ARG 48 -9.324 -4.469 7.097 373 1HD ARG 48 HD2 ARG 48 -11.020 -3.754 5.540 374 2HD ARG 48 HD1 ARG 48 -9.929 -3.982 4.161 375 HE ARG 48 HE ARG 48 -10.220 -6.336 4.350 376 1HH1 ARG 48 HH11 ARG 48 -11.551 -4.620 7.047 377 2HH1 ARG 48 HH12 ARG 48 -12.361 -6.010 7.686 378 1HH2 ARG 48 HH21 ARG 48 -11.256 -8.145 5.197 379 2HH2 ARG 48 HH22 ARG 48 -12.193 -7.997 6.648 380 H ASP 49 HN ASP 49 -8.260 -1.808 8.512 381 HA ASP 49 HA ASP 49 -7.496 0.936 8.252 382 1HB ASP 49 HB2 ASP 49 -9.479 -0.069 9.452 383 2HB ASP 49 HB1 ASP 49 -8.377 -0.562 10.739 384 H GLN 50 HN GLN 50 -6.089 -1.756 10.060 385 HA GLN 50 HA GLN 50 -4.265 -0.156 11.637 386 1HB GLN 50 HB2 GLN 50 -4.379 -3.072 10.815 387 2HB GLN 50 HB1 GLN 50 -3.233 -2.438 11.998 388 1HG GLN 50 HG2 GLN 50 -6.256 -2.265 12.203 389 2HG GLN 50 HG1 GLN 50 -5.224 -3.361 13.120 390 1HE2 GLN 50 HE21 GLN 50 -6.795 -0.430 13.383 391 2HE2 GLN 50 HE22 GLN 50 -5.819 0.294 14.568 392 H ILE 51 HN ILE 51 -4.324 -0.886 8.327 393 HA ILE 51 HA ILE 51 -1.363 -0.874 8.055 394 HB ILE 51 HB ILE 51 -3.520 -1.013 5.928 395 1HG1 ILE 51 HG12 ILE 51 -4.104 -2.962 6.995 396 2HG1 ILE 51 HG11 ILE 51 -2.685 -3.582 6.163 397 1HG2 ILE 51 HG21 ILE 51 -1.843 -1.524 4.468 398 2HG2 ILE 51 HG22 ILE 51 -0.923 -2.418 5.677 399 3HG2 ILE 51 HG23 ILE 51 -0.850 -0.656 5.640 400 1HD1 ILE 51 HD11 ILE 51 -2.202 -4.270 8.318 401 2HD1 ILE 51 HD12 ILE 51 -3.038 -2.906 9.057 402 3HD1 ILE 51 HD13 ILE 51 -1.443 -2.681 8.344 403 H ASP 52 HN ASP 52 -0.456 1.131 8.065 404 HA ASP 52 HA ASP 52 -2.002 3.513 7.357 405 1HB ASP 52 HB2 ASP 52 0.770 2.858 8.329 406 2HB ASP 52 HB1 ASP 52 0.367 4.499 7.830 407 H CYS 53 HN CYS 53 0.500 1.506 5.839 408 HA CYS 53 HA CYS 53 0.004 2.865 3.259 409 1HB CYS 53 HB2 CYS 53 1.912 3.837 4.997 410 2HB CYS 53 HB1 CYS 53 2.861 2.763 3.972 411 HG CYS 53 HG CYS 53 1.673 5.422 3.107 412 H LEU 54 HN LEU 54 0.506 1.473 1.499 413 HA LEU 54 HA LEU 54 1.811 -1.127 2.289 414 1HB LEU 54 HB2 LEU 54 -0.604 -1.263 1.774 415 2HB LEU 54 HB1 LEU 54 -0.299 -0.545 0.190 416 HG LEU 54 HG LEU 54 1.538 -2.655 0.399 417 1HD1 LEU 54 HD11 LEU 54 -1.197 -3.394 1.465 418 2HD1 LEU 54 HD12 LEU 54 0.365 -3.659 2.237 419 3HD1 LEU 54 HD13 LEU 54 -0.071 -4.574 0.794 420 1HD2 LEU 54 HD21 LEU 54 0.368 -3.512 -1.497 421 2HD2 LEU 54 HD22 LEU 54 0.156 -1.762 -1.566 422 3HD2 LEU 54 HD23 LEU 54 -1.153 -2.789 -0.976 423 H ILE 55 HN ILE 55 3.452 -1.923 0.928 424 HA ILE 55 HA ILE 55 4.320 -0.078 -1.279 425 HB ILE 55 HB ILE 55 5.808 -2.216 0.277 426 1HG1 ILE 55 HG12 ILE 55 6.105 0.767 0.592 427 2HG1 ILE 55 HG11 ILE 55 4.930 -0.148 1.545 428 1HG2 ILE 55 HG21 ILE 55 6.807 0.018 -1.518 429 2HG2 ILE 55 HG22 ILE 55 6.753 -1.689 -1.959 430 3HG2 ILE 55 HG23 ILE 55 7.814 -1.147 -0.658 431 1HD1 ILE 55 HD11 ILE 55 6.534 -1.109 2.821 432 2HD1 ILE 55 HD12 ILE 55 7.574 0.185 2.224 433 3HD1 ILE 55 HD13 ILE 55 7.588 -1.390 1.433 434 H LEU 56 HN LEU 56 4.275 -0.910 -3.375 435 HA LEU 56 HA LEU 56 3.972 -3.878 -3.647 436 1HB LEU 56 HB2 LEU 56 2.359 -1.612 -4.816 437 2HB LEU 56 HB1 LEU 56 2.313 -3.239 -5.491 438 HG LEU 56 HG LEU 56 1.622 -2.445 -2.651 439 1HD1 LEU 56 HD11 LEU 56 0.099 -2.616 -5.061 440 2HD1 LEU 56 HD12 LEU 56 -0.481 -2.282 -3.430 441 3HD1 LEU 56 HD13 LEU 56 -0.397 -3.945 -4.009 442 1HD2 LEU 56 HD21 LEU 56 2.434 -4.995 -3.850 443 2HD2 LEU 56 HD22 LEU 56 0.864 -5.085 -3.052 444 3HD2 LEU 56 HD23 LEU 56 2.283 -4.554 -2.150 445 H VAL 57 HN VAL 57 4.768 -4.771 -5.552 446 HA VAL 57 HA VAL 57 6.618 -3.031 -7.146 447 HB VAL 57 HB VAL 57 6.563 -5.990 -6.447 448 1HG1 VAL 57 HG11 VAL 57 9.033 -5.218 -7.630 449 2HG1 VAL 57 HG12 VAL 57 7.744 -4.674 -8.704 450 3HG1 VAL 57 HG13 VAL 57 7.852 -6.374 -8.246 451 1HG2 VAL 57 HG21 VAL 57 8.613 -3.847 -5.809 452 2HG2 VAL 57 HG22 VAL 57 8.570 -5.495 -5.184 453 3HG2 VAL 57 HG23 VAL 57 7.330 -4.340 -4.700 454 H ALA 58 HN ALA 58 5.800 -2.624 -9.193 455 HA ALA 58 HA ALA 58 3.548 -4.195 -10.225 456 1HB ALA 58 HB1 ALA 58 3.176 -2.194 -11.151 457 2HB ALA 58 HB2 ALA 58 4.628 -2.386 -12.136 458 3HB ALA 58 HB3 ALA 58 4.732 -1.627 -10.548 459 H ALA 59 HN ALA 59 6.883 -4.628 -10.359 460 HA ALA 59 HA ALA 59 7.176 -5.486 -13.106 461 1HB ALA 59 HB1 ALA 59 9.106 -6.762 -11.587 462 2HB ALA 59 HB2 ALA 59 8.678 -5.371 -10.589 463 3HB ALA 59 HB3 ALA 59 9.244 -5.129 -12.241 464 H ASN 60 HN ASN 60 5.576 -6.863 -10.436 465 HA ASN 60 HA ASN 60 6.058 -9.677 -11.123 466 1HB ASN 60 HB2 ASN 60 4.317 -8.134 -9.201 467 2HB ASN 60 HB1 ASN 60 4.185 -9.888 -9.351 468 1HD2 ASN 60 HD21 ASN 60 5.548 -11.024 -7.961 469 2HD2 ASN 60 HD22 ASN 60 7.006 -10.429 -7.322 470 HA PRO 61 HA PRO 61 2.732 -10.072 -13.949 471 1HB PRO 61 HB2 PRO 61 2.047 -12.691 -13.590 472 2HB PRO 61 HB1 PRO 61 3.548 -12.181 -14.386 473 1HG PRO 61 HG2 PRO 61 3.131 -13.283 -11.682 474 2HG PRO 61 HG1 PRO 61 4.546 -13.373 -12.738 475 1HD PRO 61 HD2 PRO 61 4.216 -11.664 -10.536 476 2HD PRO 61 HD1 PRO 61 5.484 -11.560 -11.774 477 H SER 62 HN SER 62 1.537 -12.326 -11.482 478 HA SER 62 HA SER 62 -1.155 -11.299 -11.664 479 1HB SER 62 HB2 SER 62 -1.372 -12.867 -9.613 480 2HB SER 62 HB1 SER 62 -0.877 -13.579 -11.145 481 HG SER 62 HG SER 62 0.701 -14.282 -9.905 482 H PHE 63 HN PHE 63 1.438 -9.821 -10.221 483 HA PHE 63 HA PHE 63 0.711 -9.106 -7.619 484 1HB PHE 63 HB2 PHE 63 2.719 -8.202 -8.316 485 2HB PHE 63 HB1 PHE 63 2.112 -7.823 -9.925 486 HD1 PHE 63 HD1 PHE 63 1.270 -6.863 -6.376 487 HD2 PHE 63 HD2 PHE 63 1.977 -5.560 -10.407 488 HE1 PHE 63 HE1 PHE 63 0.853 -4.520 -5.696 489 HE2 PHE 63 HE2 PHE 63 1.567 -3.215 -9.726 490 HZ PHE 63 HZ PHE 63 1.001 -2.694 -7.367 491 H ARG 64 HN ARG 64 -0.408 -7.560 -10.663 492 HA ARG 64 HA ARG 64 -2.093 -5.591 -9.564 493 1HB ARG 64 HB2 ARG 64 -1.875 -7.180 -12.059 494 2HB ARG 64 HB1 ARG 64 -3.443 -6.420 -11.785 495 1HG ARG 64 HG2 ARG 64 -2.150 -4.812 -12.983 496 2HG ARG 64 HG1 ARG 64 -2.169 -4.263 -11.307 497 1HD ARG 64 HD2 ARG 64 0.091 -4.371 -11.225 498 2HD ARG 64 HD1 ARG 64 0.059 -6.071 -11.706 499 HE ARG 64 HE ARG 64 0.368 -3.771 -13.519 500 1HH1 ARG 64 HH11 ARG 64 -0.354 -7.133 -13.107 501 2HH1 ARG 64 HH12 ARG 64 -0.062 -7.522 -14.764 502 1HH2 ARG 64 HH21 ARG 64 0.753 -4.284 -15.673 503 2HH2 ARG 64 HH22 ARG 64 0.562 -5.919 -16.212 504 H ALA 65 HN ALA 65 -2.777 -9.030 -10.208 505 HA ALA 65 HA ALA 65 -5.536 -9.029 -9.477 506 1HB ALA 65 HB1 ALA 65 -4.725 -10.930 -10.599 507 2HB ALA 65 HB2 ALA 65 -4.857 -11.518 -8.942 508 3HB ALA 65 HB3 ALA 65 -3.288 -11.032 -9.582 509 H VAL 66 HN VAL 66 -2.576 -9.398 -7.556 510 HA VAL 66 HA VAL 66 -3.785 -10.114 -5.066 511 HB VAL 66 HB VAL 66 -1.278 -8.539 -5.721 512 1HG1 VAL 66 HG11 VAL 66 -2.448 -9.426 -3.216 513 2HG1 VAL 66 HG12 VAL 66 -1.042 -8.396 -3.487 514 3HG1 VAL 66 HG13 VAL 66 -0.861 -10.150 -3.472 515 1HG2 VAL 66 HG21 VAL 66 -0.893 -10.515 -6.840 516 2HG2 VAL 66 HG22 VAL 66 -2.017 -11.426 -5.829 517 3HG2 VAL 66 HG23 VAL 66 -0.407 -11.030 -5.226 518 H VAL 67 HN VAL 67 -2.912 -6.924 -6.438 519 HA VAL 67 HA VAL 67 -3.796 -5.409 -4.155 520 HB VAL 67 HB VAL 67 -3.788 -4.462 -7.026 521 1HG1 VAL 67 HG11 VAL 67 -4.424 -2.725 -5.574 522 2HG1 VAL 67 HG12 VAL 67 -2.686 -2.478 -5.741 523 3HG1 VAL 67 HG13 VAL 67 -3.329 -3.263 -4.300 524 1HG2 VAL 67 HG21 VAL 67 -1.237 -4.051 -5.817 525 2HG2 VAL 67 HG22 VAL 67 -1.612 -5.018 -7.242 526 3HG2 VAL 67 HG23 VAL 67 -1.626 -5.761 -5.644 527 H GLN 68 HN GLN 68 -5.403 -6.473 -7.157 528 HA GLN 68 HA GLN 68 -7.860 -5.082 -6.862 529 1HB GLN 68 HB2 GLN 68 -7.120 -7.824 -7.937 530 2HB GLN 68 HB1 GLN 68 -8.737 -7.146 -8.111 531 1HG GLN 68 HG2 GLN 68 -7.774 -5.182 -9.282 532 2HG GLN 68 HG1 GLN 68 -6.169 -5.902 -9.144 533 1HE2 GLN 68 HE21 GLN 68 -9.256 -7.582 -9.896 534 2HE2 GLN 68 HE22 GLN 68 -8.769 -8.119 -11.430 535 H GLN 69 HN GLN 69 -6.679 -8.104 -5.418 536 HA GLN 69 HA GLN 69 -9.085 -8.875 -4.089 537 1HB GLN 69 HB2 GLN 69 -7.058 -10.269 -4.443 538 2HB GLN 69 HB1 GLN 69 -6.174 -9.250 -3.304 539 1HG GLN 69 HG2 GLN 69 -6.933 -10.531 -1.625 540 2HG GLN 69 HG1 GLN 69 -8.575 -10.015 -2.012 541 1HE2 GLN 69 HE21 GLN 69 -9.272 -11.262 -4.296 542 2HE2 GLN 69 HE22 GLN 69 -9.062 -12.944 -4.207 543 H LEU 70 HN LEU 70 -6.359 -6.795 -3.046 544 HA LEU 70 HA LEU 70 -7.177 -6.300 -0.384 545 1HB LEU 70 HB2 LEU 70 -5.645 -4.849 -2.512 546 2HB LEU 70 HB1 LEU 70 -6.080 -3.953 -1.056 547 HG LEU 70 HG LEU 70 -5.056 -6.603 -0.410 548 1HD1 LEU 70 HD11 LEU 70 -3.769 -6.267 -2.489 549 2HD1 LEU 70 HD12 LEU 70 -2.724 -6.169 -1.073 550 3HD1 LEU 70 HD13 LEU 70 -3.230 -4.695 -1.899 551 1HD2 LEU 70 HD21 LEU 70 -4.542 -5.391 1.417 552 2HD2 LEU 70 HD22 LEU 70 -5.052 -3.920 0.589 553 3HD2 LEU 70 HD23 LEU 70 -3.378 -4.462 0.472 554 H CYS 71 HN CYS 71 -8.084 -4.546 -3.379 555 HA CYS 71 HA CYS 71 -9.886 -2.710 -2.075 556 1HB CYS 71 HB2 CYS 71 -9.734 -3.754 -4.920 557 2HB CYS 71 HB1 CYS 71 -10.609 -2.307 -4.418 558 HG CYS 71 HG CYS 71 -7.560 -2.413 -3.818 559 H PHE 72 HN PHE 72 -10.349 -5.877 -3.662 560 HA PHE 72 HA PHE 72 -13.167 -5.997 -3.668 561 1HB PHE 72 HB2 PHE 72 -11.694 -7.651 -4.711 562 2HB PHE 72 HB1 PHE 72 -11.083 -8.137 -3.130 563 HD1 PHE 72 HD1 PHE 72 -13.983 -8.216 -5.411 564 HD2 PHE 72 HD2 PHE 72 -12.435 -9.475 -1.605 565 HE1 PHE 72 HE1 PHE 72 -15.860 -9.817 -5.176 566 HE2 PHE 72 HE2 PHE 72 -14.318 -11.076 -1.371 567 HZ PHE 72 HZ PHE 72 -16.028 -11.246 -3.158 568 H GLU 73 HN GLU 73 -10.918 -7.036 -1.073 569 HA GLU 73 HA GLU 73 -13.023 -7.668 0.810 570 1HB GLU 73 HB2 GLU 73 -10.144 -6.873 1.346 571 2HB GLU 73 HB1 GLU 73 -11.166 -7.906 2.344 572 1HG GLU 73 HG2 GLU 73 -11.337 -9.392 0.203 573 2HG GLU 73 HG1 GLU 73 -9.898 -8.513 -0.315 574 H GLY 74 HN GLY 74 -11.362 -4.758 -0.160 575 1HA GLY 74 HA2 GLY 74 -12.463 -2.596 0.275 576 2HA GLY 74 HA1 GLY 74 -12.954 -3.226 1.849 577 H VAL 75 HN VAL 75 -9.771 -4.104 0.951 578 HA VAL 75 HA VAL 75 -8.666 -2.389 3.078 579 HB VAL 75 HB VAL 75 -7.299 -4.317 1.177 580 1HG1 VAL 75 HG11 VAL 75 -6.227 -2.575 3.019 581 2HG1 VAL 75 HG12 VAL 75 -5.457 -4.066 2.479 582 3HG1 VAL 75 HG13 VAL 75 -6.402 -4.052 3.966 583 1HG2 VAL 75 HG21 VAL 75 -8.308 -4.981 3.941 584 2HG2 VAL 75 HG22 VAL 75 -7.813 -6.087 2.661 585 3HG2 VAL 75 HG23 VAL 75 -9.331 -5.200 2.523 586 H VAL 76 HN VAL 76 -8.758 -0.249 2.180 587 HA VAL 76 HA VAL 76 -7.078 0.189 -0.269 588 HB VAL 76 HB VAL 76 -9.107 2.097 0.920 589 1HG1 VAL 76 HG11 VAL 76 -7.567 1.817 -1.610 590 2HG1 VAL 76 HG12 VAL 76 -8.099 3.276 -0.775 591 3HG1 VAL 76 HG13 VAL 76 -9.235 2.366 -1.770 592 1HG2 VAL 76 HG21 VAL 76 -10.290 -0.013 0.592 593 2HG2 VAL 76 HG22 VAL 76 -9.583 -0.193 -1.014 594 3HG2 VAL 76 HG23 VAL 76 -10.741 1.098 -0.701 595 H VAL 77 HN VAL 77 -5.095 0.999 0.236 596 HA VAL 77 HA VAL 77 -4.831 2.927 2.528 597 HB VAL 77 HB VAL 77 -2.543 1.695 2.785 598 1HG1 VAL 77 HG11 VAL 77 -4.472 1.583 4.380 599 2HG1 VAL 77 HG12 VAL 77 -3.503 0.110 4.330 600 3HG1 VAL 77 HG13 VAL 77 -5.058 0.172 3.499 601 1HG2 VAL 77 HG21 VAL 77 -2.906 0.448 0.597 602 2HG2 VAL 77 HG22 VAL 77 -4.130 -0.507 1.434 603 3HG2 VAL 77 HG23 VAL 77 -2.451 -0.566 1.968 604 HA PRO 78 HA PRO 78 -2.301 5.235 -0.262 605 1HB PRO 78 HB2 PRO 78 -0.179 5.979 1.320 606 2HB PRO 78 HB1 PRO 78 -1.783 6.738 1.440 607 1HG PRO 78 HG2 PRO 78 -0.562 4.614 3.132 608 2HG PRO 78 HG1 PRO 78 -1.543 6.008 3.611 609 1HD PRO 78 HD2 PRO 78 -2.571 3.511 3.446 610 2HD PRO 78 HD1 PRO 78 -3.535 4.962 3.078 611 H ALA 79 HN ALA 79 -1.880 3.210 -1.399 612 HA ALA 79 HA ALA 79 0.497 1.658 -0.638 613 1HB ALA 79 HB1 ALA 79 -1.745 0.777 -1.418 614 2HB ALA 79 HB2 ALA 79 -0.360 0.152 -2.314 615 3HB ALA 79 HB3 ALA 79 -1.363 1.423 -3.013 616 H ILE 80 HN ILE 80 2.465 1.975 -1.511 617 HA ILE 80 HA ILE 80 2.765 3.890 -3.765 618 HB ILE 80 HB ILE 80 4.791 2.629 -1.880 619 1HG1 ILE 80 HG12 ILE 80 3.537 5.376 -1.648 620 2HG1 ILE 80 HG11 ILE 80 2.858 3.973 -0.828 621 1HG2 ILE 80 HG21 ILE 80 6.036 4.776 -2.493 622 2HG2 ILE 80 HG22 ILE 80 4.846 4.985 -3.778 623 3HG2 ILE 80 HG23 ILE 80 5.903 3.573 -3.777 624 1HD1 ILE 80 HD11 ILE 80 4.535 5.441 0.486 625 2HD1 ILE 80 HD12 ILE 80 5.770 4.687 -0.521 626 3HD1 ILE 80 HD13 ILE 80 4.763 3.694 0.530 627 H VAL 81 HN VAL 81 3.162 3.057 -5.786 628 HA VAL 81 HA VAL 81 3.892 0.168 -6.009 629 HB VAL 81 HB VAL 81 2.693 2.134 -7.985 630 1HG1 VAL 81 HG11 VAL 81 3.897 -0.377 -8.401 631 2HG1 VAL 81 HG12 VAL 81 2.869 0.504 -9.532 632 3HG1 VAL 81 HG13 VAL 81 2.159 -0.679 -8.435 633 1HG2 VAL 81 HG21 VAL 81 1.256 1.670 -5.996 634 2HG2 VAL 81 HG22 VAL 81 1.378 -0.055 -6.340 635 3HG2 VAL 81 HG23 VAL 81 0.566 1.015 -7.483 636 H VAL 82 HN VAL 82 5.660 -0.476 -7.276 637 HA VAL 82 HA VAL 82 7.468 1.714 -8.256 638 HB VAL 82 HB VAL 82 8.442 -1.001 -7.445 639 1HG1 VAL 82 HG11 VAL 82 9.649 1.692 -6.828 640 2HG1 VAL 82 HG12 VAL 82 9.811 0.982 -8.433 641 3HG1 VAL 82 HG13 VAL 82 10.462 0.140 -7.029 642 1HG2 VAL 82 HG21 VAL 82 7.401 1.142 -5.602 643 2HG2 VAL 82 HG22 VAL 82 8.731 0.103 -5.094 644 3HG2 VAL 82 HG23 VAL 82 7.170 -0.604 -5.510 645 H GLY 83 HN GLY 83 8.864 1.037 -10.106 646 1HA GLY 83 HA2 GLY 83 9.340 -0.212 -12.060 647 2HA GLY 83 HA1 GLY 83 8.167 -1.416 -11.535 648 H ASP 84 HN ASP 84 7.676 2.079 -12.089 649 HA ASP 84 HA ASP 84 5.418 1.368 -13.899 650 1HB ASP 84 HB2 ASP 84 4.682 3.626 -13.435 651 2HB ASP 84 HB1 ASP 84 5.217 2.930 -11.908 652 H ARG 85 HN ARG 85 5.248 2.626 -15.982 653 HA ARG 85 HA ARG 85 7.954 2.962 -17.189 654 1HB ARG 85 HB2 ARG 85 5.198 2.871 -18.451 655 2HB ARG 85 HB1 ARG 85 6.739 2.750 -19.296 656 1HG ARG 85 HG2 ARG 85 7.208 0.690 -17.847 657 2HG ARG 85 HG1 ARG 85 5.501 0.751 -17.398 658 1HD ARG 85 HD2 ARG 85 5.094 0.900 -19.990 659 2HD ARG 85 HD1 ARG 85 6.721 0.201 -20.092 660 HE ARG 85 HE ARG 85 5.112 -1.204 -18.146 661 1HH1 ARG 85 HH11 ARG 85 5.741 -0.757 -21.512 662 2HH1 ARG 85 HH12 ARG 85 5.186 -2.333 -21.959 663 1HH2 ARG 85 HH21 ARG 85 4.376 -3.266 -18.719 664 2HH2 ARG 85 HH22 ARG 85 4.415 -3.754 -20.381 665 H ASP 86 HN ASP 86 8.200 4.804 -18.759 666 HA ASP 86 HA ASP 86 7.302 7.323 -17.552 667 1HB ASP 86 HB2 ASP 86 8.876 6.766 -20.087 668 2HB ASP 86 HB1 ASP 86 8.847 8.275 -19.175 669 H SER 87 HN SER 87 6.223 5.222 -20.073 670 HA SER 87 HA SER 87 4.551 7.405 -21.262 671 1HB SER 87 HB2 SER 87 4.552 6.040 -23.246 672 2HB SER 87 HB1 SER 87 6.208 6.051 -22.645 673 HG SER 87 HG SER 87 4.521 3.981 -22.979 674 H GLU 88 HN GLU 88 2.405 7.344 -20.776 675 HA GLU 88 HA GLU 88 1.197 5.429 -19.052 676 1HB GLU 88 HB2 GLU 88 -0.832 6.647 -19.615 677 2HB GLU 88 HB1 GLU 88 0.505 7.796 -19.534 678 1HG GLU 88 HG2 GLU 88 0.697 7.883 -21.920 679 2HG GLU 88 HG1 GLU 88 -0.378 6.499 -22.122 680 H ASP 89 HN ASP 89 1.497 5.519 -22.568 681 HA ASP 89 HA ASP 89 0.947 3.875 -24.177 682 1HB ASP 89 HB2 ASP 89 1.344 2.553 -21.588 683 2HB ASP 89 HB1 ASP 89 0.275 1.645 -22.660 684 HA PRO 90 HA PRO 90 -3.439 4.104 -24.344 685 1HB PRO 90 HB2 PRO 90 -3.929 2.332 -26.364 686 2HB PRO 90 HB1 PRO 90 -3.204 3.929 -26.636 687 1HG PRO 90 HG2 PRO 90 -1.919 1.258 -26.549 688 2HG PRO 90 HG1 PRO 90 -1.525 2.670 -27.538 689 1HD PRO 90 HD2 PRO 90 -0.146 1.888 -25.278 690 2HD PRO 90 HD1 PRO 90 -0.132 3.527 -25.962 691 H ASP 91 HN ASP 91 -1.975 0.887 -24.104 692 HA ASP 91 HA ASP 91 -4.527 -0.139 -22.919 693 1HB ASP 91 HB2 ASP 91 -2.127 -1.493 -24.182 694 2HB ASP 91 HB1 ASP 91 -3.510 -2.354 -23.508 695 H GLU 92 HN GLU 92 -2.069 1.358 -21.602 696 HA GLU 92 HA GLU 92 -1.677 -0.694 -19.442 697 1HB GLU 92 HB2 GLU 92 0.240 1.427 -20.464 698 2HB GLU 92 HB1 GLU 92 0.584 0.255 -19.189 699 1HG GLU 92 HG2 GLU 92 0.024 -1.557 -20.910 700 2HG GLU 92 HG1 GLU 92 0.104 -0.280 -22.124 701 HA PRO 93 HA PRO 93 -3.496 3.183 -17.670 702 1HB PRO 93 HB2 PRO 93 -5.576 1.985 -16.369 703 2HB PRO 93 HB1 PRO 93 -5.681 2.520 -18.058 704 1HG PRO 93 HG2 PRO 93 -5.280 -0.209 -16.960 705 2HG PRO 93 HG1 PRO 93 -6.189 0.314 -18.384 706 1HD PRO 93 HD2 PRO 93 -3.685 -0.820 -18.466 707 2HD PRO 93 HD1 PRO 93 -4.358 0.226 -19.735 708 H ALA 94 HN ALA 94 -1.222 2.081 -16.649 709 HA ALA 94 HA ALA 94 -1.300 0.635 -14.232 710 1HB ALA 94 HB1 ALA 94 0.536 2.068 -15.796 711 2HB ALA 94 HB2 ALA 94 0.914 1.096 -14.373 712 3HB ALA 94 HB3 ALA 94 0.619 2.827 -14.207 713 H LYS 95 HN LYS 95 -1.889 4.076 -14.828 714 HA LYS 95 HA LYS 95 -1.928 5.001 -12.131 715 1HB LYS 95 HB2 LYS 95 -3.438 5.855 -14.620 716 2HB LYS 95 HB1 LYS 95 -3.274 6.838 -13.162 717 1HG LYS 95 HG2 LYS 95 -0.820 6.785 -13.392 718 2HG LYS 95 HG1 LYS 95 -0.976 5.801 -14.847 719 1HD LYS 95 HD2 LYS 95 -2.220 7.614 -15.953 720 2HD LYS 95 HD1 LYS 95 -2.093 8.599 -14.496 721 1HE LYS 95 HE2 LYS 95 -0.340 9.263 -16.089 722 2HE LYS 95 HE1 LYS 95 0.414 8.469 -14.693 723 1HZ LYS 95 HZ1 LYS 95 -0.398 7.057 -17.179 724 2HZ LYS 95 HZ2 LYS 95 0.465 6.404 -15.869 725 3HZ LYS 95 HZ3 LYS 95 1.184 7.580 -16.863 726 H GLU 96 HN GLU 96 -4.335 3.279 -14.051 727 HA GLU 96 HA GLU 96 -6.109 3.220 -11.632 728 1HB GLU 96 HB2 GLU 96 -6.545 4.398 -14.197 729 2HB GLU 96 HB1 GLU 96 -7.606 2.994 -14.069 730 1HG GLU 96 HG2 GLU 96 -7.890 4.095 -11.584 731 2HG GLU 96 HG1 GLU 96 -7.668 5.539 -12.574 732 H GLN 97 HN GLN 97 -4.944 1.104 -11.306 733 HA GLN 97 HA GLN 97 -6.474 -1.135 -12.149 734 1HB GLN 97 HB2 GLN 97 -5.780 -1.090 -14.339 735 2HB GLN 97 HB1 GLN 97 -4.331 -0.160 -13.961 736 1HG GLN 97 HG2 GLN 97 -3.156 -2.108 -13.235 737 2HG GLN 97 HG1 GLN 97 -4.629 -3.079 -13.227 738 1HE2 GLN 97 HE21 GLN 97 -3.566 -4.585 -14.806 739 2HE2 GLN 97 HE22 GLN 97 -3.446 -4.145 -16.442 740 H LEU 98 HN LEU 98 -3.123 -0.104 -11.449 741 HA LEU 98 HA LEU 98 -2.226 -2.516 -10.215 742 1HB LEU 98 HB2 LEU 98 -1.503 0.395 -9.715 743 2HB LEU 98 HB1 LEU 98 -0.514 -0.992 -9.259 744 HG LEU 98 HG LEU 98 -1.287 -0.178 -12.078 745 1HD1 LEU 98 HD11 LEU 98 0.523 1.175 -11.470 746 2HD1 LEU 98 HD12 LEU 98 1.334 -0.228 -12.167 747 3HD1 LEU 98 HD13 LEU 98 1.214 -0.057 -10.416 748 1HD2 LEU 98 HD21 LEU 98 0.344 -2.108 -12.607 749 2HD2 LEU 98 HD22 LEU 98 -1.279 -2.553 -12.074 750 3HD2 LEU 98 HD23 LEU 98 0.074 -2.616 -10.943 751 H TYR 99 HN TYR 99 -3.916 0.329 -9.010 752 HA TYR 99 HA TYR 99 -5.014 -1.163 -6.755 753 1HB TYR 99 HB2 TYR 99 -2.538 -0.292 -6.314 754 2HB TYR 99 HB1 TYR 99 -3.368 1.232 -6.006 755 HD1 TYR 99 HD1 TYR 99 -5.982 -0.214 -4.993 756 HD2 TYR 99 HD2 TYR 99 -1.815 -0.544 -3.987 757 HE1 TYR 99 HE1 TYR 99 -6.587 -0.999 -2.717 758 HE2 TYR 99 HE2 TYR 99 -2.424 -1.327 -1.713 759 HH TYR 99 HH TYR 99 -5.117 -0.878 -0.281 760 H HIS 100 HN HIS 100 -5.161 1.691 -5.393 761 HA HIS 100 HA HIS 100 -7.597 2.480 -6.889 762 1HB HIS 100 HB2 HIS 100 -7.823 4.036 -4.867 763 2HB HIS 100 HB1 HIS 100 -7.873 2.310 -4.530 764 HD2 HIS 100 HD2 HIS 100 -5.759 1.365 -2.923 765 HE1 HIS 100 HE1 HIS 100 -3.728 5.048 -2.542 766 HE2 HIS 100 HE2 HIS 100 -3.845 2.659 -1.765 767 H SER 101 HN SER 101 -7.868 5.079 -6.821 768 HA SER 101 HA SER 101 -5.817 6.100 -8.635 769 1HB SER 101 HB2 SER 101 -7.377 8.014 -8.737 770 2HB SER 101 HB1 SER 101 -8.246 6.489 -8.879 771 HG SER 101 HG SER 101 -8.987 8.212 -7.306 772 H ALA 102 HN ALA 102 -5.632 5.793 -5.408 773 HA ALA 102 HA ALA 102 -4.452 8.502 -4.941 774 1HB ALA 102 HB1 ALA 102 -5.870 8.280 -3.181 775 2HB ALA 102 HB2 ALA 102 -4.618 7.238 -2.504 776 3HB ALA 102 HB3 ALA 102 -5.980 6.534 -3.375 777 H GLU 103 HN GLU 103 -3.688 5.039 -4.967 778 HA GLU 103 HA GLU 103 -1.337 4.905 -3.478 779 1HB GLU 103 HB2 GLU 103 -0.680 3.222 -5.323 780 2HB GLU 103 HB1 GLU 103 -2.226 2.949 -4.519 781 1HG GLU 103 HG2 GLU 103 -3.341 3.205 -6.450 782 2HG GLU 103 HG1 GLU 103 -2.564 4.758 -6.752 783 H LEU 104 HN LEU 104 0.780 5.615 -3.778 784 HA LEU 104 HA LEU 104 1.243 7.527 -6.012 785 1HB LEU 104 HB2 LEU 104 2.306 7.003 -3.281 786 2HB LEU 104 HB1 LEU 104 3.452 7.655 -4.453 787 HG LEU 104 HG LEU 104 1.724 9.431 -4.995 788 1HD1 LEU 104 HD11 LEU 104 0.098 9.784 -3.026 789 2HD1 LEU 104 HD12 LEU 104 0.427 8.100 -2.619 790 3HD1 LEU 104 HD13 LEU 104 -0.295 8.507 -4.176 791 1HD2 LEU 104 HD21 LEU 104 3.537 9.189 -2.800 792 2HD2 LEU 104 HD22 LEU 104 2.126 10.084 -2.239 793 3HD2 LEU 104 HD23 LEU 104 3.035 10.656 -3.640 794 H HIS 105 HN HIS 105 3.116 7.258 -7.396 795 HA HIS 105 HA HIS 105 4.008 4.413 -7.602 796 1HB HIS 105 HB2 HIS 105 4.081 6.732 -9.561 797 2HB HIS 105 HB1 HIS 105 4.537 5.068 -9.930 798 HD1 HIS 105 HD1 HIS 105 2.092 6.656 -11.243 799 HD2 HIS 105 HD2 HIS 105 1.818 3.841 -8.179 800 HE1 HIS 105 HE1 HIS 105 -0.262 5.726 -11.332 801 H LEU 106 HN LEU 106 6.250 3.939 -7.750 802 HA LEU 106 HA LEU 106 8.110 6.215 -7.154 803 1HB LEU 106 HB2 LEU 106 7.522 4.877 -5.143 804 2HB LEU 106 HB1 LEU 106 8.085 3.420 -5.965 805 HG LEU 106 HG LEU 106 10.337 4.425 -6.181 806 1HD1 LEU 106 HD11 LEU 106 8.998 6.698 -4.700 807 2HD1 LEU 106 HD12 LEU 106 9.854 6.768 -6.241 808 3HD1 LEU 106 HD13 LEU 106 10.749 6.498 -4.747 809 1HD2 LEU 106 HD21 LEU 106 9.629 3.057 -4.166 810 2HD2 LEU 106 HD22 LEU 106 9.359 4.580 -3.318 811 3HD2 LEU 106 HD23 LEU 106 10.978 4.155 -3.874 812 H GLY 107 HN GLY 107 9.784 6.286 -8.592 813 1HA GLY 107 HA2 GLY 107 10.046 4.419 -10.739 814 2HA GLY 107 HA1 GLY 107 11.253 5.629 -10.301 815 H ILE 108 HN ILE 108 11.455 2.659 -11.008 816 HA ILE 108 HA ILE 108 12.150 1.053 -8.825 817 HB ILE 108 HB ILE 108 13.324 1.343 -11.601 818 1HG1 ILE 108 HG12 ILE 108 11.243 -0.620 -10.610 819 2HG1 ILE 108 HG11 ILE 108 10.813 0.931 -11.337 820 1HG2 ILE 108 HG21 ILE 108 14.835 0.039 -10.337 821 2HG2 ILE 108 HG22 ILE 108 13.831 -1.118 -11.214 822 3HG2 ILE 108 HG23 ILE 108 13.528 -0.802 -9.505 823 1HD1 ILE 108 HD11 ILE 108 12.049 -1.480 -12.604 824 2HD1 ILE 108 HD12 ILE 108 12.520 0.105 -13.217 825 3HD1 ILE 108 HD13 ILE 108 10.824 -0.382 -13.242 826 H HIS 109 HN HIS 109 14.133 3.438 -10.579 827 HA HIS 109 HA HIS 109 16.504 2.870 -8.933 828 1HB HIS 109 HB2 HIS 109 16.291 5.307 -10.648 829 2HB HIS 109 HB1 HIS 109 17.611 4.153 -10.508 830 HD1 HIS 109 HD1 HIS 109 15.701 1.613 -11.095 831 HD2 HIS 109 HD2 HIS 109 16.085 5.023 -13.464 832 HE1 HIS 109 HE1 HIS 109 14.990 0.947 -13.435 833 H GLN 110 HN GLN 110 13.686 4.537 -8.376 834 HA GLN 110 HA GLN 110 15.005 6.730 -6.842 835 1HB GLN 110 HB2 GLN 110 12.193 6.184 -7.810 836 2HB GLN 110 HB1 GLN 110 12.586 7.531 -6.742 837 1HG GLN 110 HG2 GLN 110 14.017 8.532 -8.368 838 2HG GLN 110 HG1 GLN 110 14.016 7.078 -9.368 839 1HE2 GLN 110 HE21 GLN 110 11.437 9.144 -7.886 840 2HE2 GLN 110 HE22 GLN 110 10.526 9.271 -9.313 841 H LEU 111 HN LEU 111 14.863 3.830 -5.957 842 HA LEU 111 HA LEU 111 12.888 3.656 -3.858 843 1HB LEU 111 HB2 LEU 111 15.446 2.252 -4.614 844 2HB LEU 111 HB1 LEU 111 14.676 1.874 -3.080 845 HG LEU 111 HG LEU 111 13.997 0.929 -5.720 846 1HD1 LEU 111 HD11 LEU 111 13.874 0.152 -3.022 847 2HD1 LEU 111 HD12 LEU 111 13.458 -0.824 -4.431 848 3HD1 LEU 111 HD13 LEU 111 12.211 0.107 -3.608 849 1HD2 LEU 111 HD21 LEU 111 12.388 2.904 -5.641 850 2HD2 LEU 111 HD22 LEU 111 11.647 2.145 -4.231 851 3HD2 LEU 111 HD23 LEU 111 11.619 1.323 -5.790 852 H GLU 112 HN GLU 112 12.867 5.263 -2.464 853 HA GLU 112 HA GLU 112 14.580 5.480 -0.246 854 1HB GLU 112 HB2 GLU 112 15.791 7.630 -0.992 855 2HB GLU 112 HB1 GLU 112 16.367 6.126 -1.707 856 1HG GLU 112 HG2 GLU 112 15.246 6.540 -3.753 857 2HG GLU 112 HG1 GLU 112 14.230 7.790 -3.037 858 H GLN 113 HN GLN 113 12.430 6.997 -2.546 859 HA GLN 113 HA GLN 113 11.633 9.226 -0.806 860 1HB GLN 113 HB2 GLN 113 10.672 8.019 -3.407 861 2HB GLN 113 HB1 GLN 113 9.883 9.410 -2.664 862 1HG GLN 113 HG2 GLN 113 11.912 10.714 -2.786 863 2HG GLN 113 HG1 GLN 113 12.839 9.309 -3.319 864 1HE2 GLN 113 HE21 GLN 113 13.301 10.874 -5.224 865 2HE2 GLN 113 HE22 GLN 113 12.197 10.865 -6.512 866 H LEU 114 HN LEU 114 10.959 5.923 -0.754 867 HA LEU 114 HA LEU 114 8.214 5.631 -0.424 868 1HB LEU 114 HB2 LEU 114 10.505 4.436 1.143 869 2HB LEU 114 HB1 LEU 114 8.858 3.819 1.188 870 HG LEU 114 HG LEU 114 9.329 4.032 -1.517 871 1HD1 LEU 114 HD11 LEU 114 11.501 3.572 -2.043 872 2HD1 LEU 114 HD12 LEU 114 11.739 2.574 -0.611 873 3HD1 LEU 114 HD13 LEU 114 11.824 4.327 -0.482 874 1HD2 LEU 114 HD21 LEU 114 9.208 1.660 -1.492 875 2HD2 LEU 114 HD22 LEU 114 8.338 2.159 -0.041 876 3HD2 LEU 114 HD23 LEU 114 9.992 1.555 0.083 877 HA PRO 115 HA PRO 115 8.553 7.042 4.171 878 1HB PRO 115 HB2 PRO 115 10.549 8.854 4.722 879 2HB PRO 115 HB1 PRO 115 10.721 7.107 4.980 880 1HG PRO 115 HG2 PRO 115 11.647 8.775 2.681 881 2HG PRO 115 HG1 PRO 115 12.499 7.486 3.551 882 1HD PRO 115 HD2 PRO 115 11.350 7.036 1.182 883 2HD PRO 115 HD1 PRO 115 11.348 5.797 2.455 884 H TYR 116 HN TYR 116 10.042 9.536 2.056 885 HA TYR 116 HA TYR 116 8.226 11.629 2.794 886 1HB TYR 116 HB2 TYR 116 9.838 12.674 1.586 887 2HB TYR 116 HB1 TYR 116 10.454 11.117 1.053 888 HD1 TYR 116 HD1 TYR 116 7.621 13.473 0.328 889 HD2 TYR 116 HD2 TYR 116 10.479 10.667 -1.214 890 HE1 TYR 116 HE1 TYR 116 6.869 13.972 -1.981 891 HE2 TYR 116 HE2 TYR 116 9.728 11.159 -3.524 892 HH TYR 116 HH TYR 116 8.607 13.063 -4.720 893 H GLN 117 HN GLN 117 8.154 9.085 0.363 894 HA GLN 117 HA GLN 117 5.763 9.921 -1.027 895 1HB GLN 117 HB2 GLN 117 7.294 7.333 -0.653 896 2HB GLN 117 HB1 GLN 117 5.829 7.402 -1.633 897 1HG GLN 117 HG2 GLN 117 7.953 9.441 -2.152 898 2HG GLN 117 HG1 GLN 117 8.229 7.794 -2.719 899 1HE2 GLN 117 HE21 GLN 117 7.147 10.636 -3.893 900 2HE2 GLN 117 HE22 GLN 117 5.954 10.098 -4.972 901 H VAL 118 HN VAL 118 6.449 7.810 1.724 902 HA VAL 118 HA VAL 118 3.844 6.736 2.145 903 HB VAL 118 HB VAL 118 6.375 7.181 3.672 904 1HG1 VAL 118 HG11 VAL 118 5.223 6.049 5.679 905 2HG1 VAL 118 HG12 VAL 118 3.706 6.590 4.962 906 3HG1 VAL 118 HG13 VAL 118 4.920 7.772 5.453 907 1HG2 VAL 118 HG21 VAL 118 6.107 5.176 2.324 908 2HG2 VAL 118 HG22 VAL 118 4.568 4.814 3.100 909 3HG2 VAL 118 HG23 VAL 118 6.065 4.710 4.024 910 H ASP 119 HN ASP 119 5.423 9.583 3.672 911 HA ASP 119 HA ASP 119 3.111 10.422 5.146 912 1HB ASP 119 HB2 ASP 119 5.546 11.859 4.039 913 2HB ASP 119 HB1 ASP 119 4.403 12.612 5.152 914 H ALA 120 HN ALA 120 4.302 11.200 1.885 915 HA ALA 120 HA ALA 120 2.219 13.122 1.267 916 1HB ALA 120 HB1 ALA 120 4.279 11.504 -0.223 917 2HB ALA 120 HB2 ALA 120 4.172 13.256 -0.037 918 3HB ALA 120 HB3 ALA 120 3.066 12.415 -1.124 919 H ALA 121 HN ALA 121 2.663 9.629 0.731 920 HA ALA 121 HA ALA 121 0.339 9.161 -0.858 921 1HB ALA 121 HB1 ALA 121 0.750 6.835 -0.204 922 2HB ALA 121 HB2 ALA 121 1.691 7.365 1.190 923 3HB ALA 121 HB3 ALA 121 2.303 7.635 -0.442 924 H LEU 122 HN LEU 122 0.800 9.478 2.640 925 HA LEU 122 HA LEU 122 -1.796 8.477 3.425 926 1HB LEU 122 HB2 LEU 122 0.218 10.366 4.682 927 2HB LEU 122 HB1 LEU 122 -1.196 9.744 5.533 928 HG LEU 122 HG LEU 122 0.661 7.823 4.163 929 1HD1 LEU 122 HD11 LEU 122 1.501 7.825 6.781 930 2HD1 LEU 122 HD12 LEU 122 1.273 9.545 6.468 931 3HD1 LEU 122 HD13 LEU 122 2.359 8.600 5.449 932 1HD2 LEU 122 HD21 LEU 122 -0.402 6.261 5.478 933 2HD2 LEU 122 HD22 LEU 122 -1.686 7.468 5.447 934 3HD2 LEU 122 HD23 LEU 122 -0.596 7.378 6.829 935 H ALA 123 HN ALA 123 -0.547 11.845 3.244 936 HA ALA 123 HA ALA 123 -3.097 13.107 3.553 937 1HB ALA 123 HB1 ALA 123 -1.696 14.943 2.210 938 2HB ALA 123 HB2 ALA 123 -0.371 13.821 2.526 939 3HB ALA 123 HB3 ALA 123 -1.273 14.522 3.869 940 H GLU 124 HN GLU 124 -1.336 11.885 0.728 941 HA GLU 124 HA GLU 124 -3.105 12.975 -1.280 942 1HB GLU 124 HB2 GLU 124 -0.726 12.029 -1.484 943 2HB GLU 124 HB1 GLU 124 -1.463 10.430 -1.399 944 1HG GLU 124 HG2 GLU 124 -1.379 10.807 -3.708 945 2HG GLU 124 HG1 GLU 124 -3.015 11.328 -3.306 946 H PHE 125 HN PHE 125 -2.895 9.836 0.394 947 HA PHE 125 HA PHE 125 -5.169 8.631 -0.915 948 1HB PHE 125 HB2 PHE 125 -3.326 7.425 0.244 949 2HB PHE 125 HB1 PHE 125 -3.866 8.103 1.780 950 HD1 PHE 125 HD1 PHE 125 -5.857 7.288 2.892 951 HD2 PHE 125 HD2 PHE 125 -4.724 5.786 -0.967 952 HE1 PHE 125 HE1 PHE 125 -7.501 5.446 3.126 953 HE2 PHE 125 HE2 PHE 125 -6.364 3.942 -0.732 954 HZ PHE 125 HZ PHE 125 -7.756 3.773 1.315 955 H LEU 126 HN LEU 126 -4.741 10.574 2.019 956 HA LEU 126 HA LEU 126 -7.395 10.161 3.070 957 1HB LEU 126 HB2 LEU 126 -5.187 12.190 3.462 958 2HB LEU 126 HB1 LEU 126 -6.709 12.305 4.346 959 HG LEU 126 HG LEU 126 -4.768 9.973 4.373 960 1HD1 LEU 126 HD11 LEU 126 -5.073 12.328 5.995 961 2HD1 LEU 126 HD12 LEU 126 -3.909 11.014 6.175 962 3HD1 LEU 126 HD13 LEU 126 -5.484 10.912 6.961 963 1HD2 LEU 126 HD21 LEU 126 -7.635 10.204 5.075 964 2HD2 LEU 126 HD22 LEU 126 -6.622 9.441 6.300 965 3HD2 LEU 126 HD23 LEU 126 -6.689 8.774 4.670 966 H ARG 127 HN ARG 127 -5.960 12.780 1.080 967 HA ARG 127 HA ARG 127 -8.322 14.396 0.925 968 1HB ARG 127 HB2 ARG 127 -7.136 15.421 -0.951 969 2HB ARG 127 HB1 ARG 127 -5.966 15.025 0.308 970 1HG ARG 127 HG2 ARG 127 -5.044 13.274 -0.906 971 2HG ARG 127 HG1 ARG 127 -6.526 12.989 -1.820 972 1HD ARG 127 HD2 ARG 127 -4.818 14.026 -3.272 973 2HD ARG 127 HD1 ARG 127 -6.163 15.155 -3.017 974 HE ARG 127 HE ARG 127 -4.193 15.486 -0.948 975 1HH1 ARG 127 HH11 ARG 127 -4.859 16.083 -4.287 976 2HH1 ARG 127 HH12 ARG 127 -3.868 17.499 -4.364 977 1HH2 ARG 127 HH21 ARG 127 -2.894 17.327 -1.040 978 2HH2 ARG 127 HH22 ARG 127 -2.754 18.201 -2.527 979 H LEU 128 HN LEU 128 -7.395 11.426 -0.573 980 HA LEU 128 HA LEU 128 -9.621 11.602 -2.556 981 1HB LEU 128 HB2 LEU 128 -6.959 11.004 -2.781 982 2HB LEU 128 HB1 LEU 128 -7.680 9.405 -2.666 983 HG LEU 128 HG LEU 128 -9.323 10.123 -4.458 984 1HD1 LEU 128 HD11 LEU 128 -8.445 12.631 -3.901 985 2HD1 LEU 128 HD12 LEU 128 -9.186 12.188 -5.437 986 3HD1 LEU 128 HD13 LEU 128 -7.430 12.251 -5.293 987 1HD2 LEU 128 HD21 LEU 128 -6.998 8.897 -4.738 988 2HD2 LEU 128 HD22 LEU 128 -6.529 10.404 -5.524 989 3HD2 LEU 128 HD23 LEU 128 -7.873 9.458 -6.162 990 H ALA 129 HN ALA 129 -9.078 10.429 0.505 991 HA ALA 129 HA ALA 129 -10.343 7.797 0.187 992 1HB ALA 129 HB1 ALA 129 -9.460 7.511 2.253 993 2HB ALA 129 HB2 ALA 129 -10.249 8.965 2.864 994 3HB ALA 129 HB3 ALA 129 -8.702 9.088 2.029 995 HA PRO 130 HA PRO 130 -11.641 6.488 0.757 996 1HB PRO 130 HB2 PRO 130 -13.893 5.458 -0.390 997 2HB PRO 130 HB1 PRO 130 -13.707 5.642 1.366 998 1HG PRO 130 HG2 PRO 130 -15.215 7.315 -0.562 999 2HG PRO 130 HG1 PRO 130 -15.604 6.895 1.111 1000 1HD PRO 130 HD2 PRO 130 -14.559 9.310 0.294 1001 2HD PRO 130 HD1 PRO 130 -14.433 8.658 1.943 1002 H VAL 131 HN VAL 131 -10.280 6.284 -0.996 1003 HA VAL 131 HA VAL 131 -10.590 7.644 -3.491 1004 HB VAL 131 HB VAL 131 -8.834 5.902 -4.185 1005 1HG1 VAL 131 HG11 VAL 131 -7.678 7.710 -3.437 1006 2HG1 VAL 131 HG12 VAL 131 -7.397 6.726 -2.004 1007 3HG1 VAL 131 HG13 VAL 131 -8.708 7.900 -2.021 1008 1HG2 VAL 131 HG21 VAL 131 -8.227 5.021 -1.554 1009 2HG2 VAL 131 HG22 VAL 131 -8.692 4.038 -2.942 1010 3HG2 VAL 131 HG23 VAL 131 -9.927 4.656 -1.846 1011 H GLU 132 HN GLU 132 -10.813 6.444 -5.647 1012 HA GLU 132 HA GLU 132 -13.194 4.676 -5.511 1013 1HB GLU 132 HB2 GLU 132 -12.645 6.833 -6.991 1014 2HB GLU 132 HB1 GLU 132 -11.925 5.621 -8.052 1015 1HG GLU 132 HG2 GLU 132 -14.210 4.352 -7.607 1016 2HG GLU 132 HG1 GLU 132 -14.789 5.982 -7.259 1017 H THR 133 HN THR 133 -12.362 2.589 -5.018 1018 HA THR 133 HA THR 133 -10.076 1.502 -6.540 1019 HB THR 133 HB THR 133 -11.037 -0.562 -5.098 1020 HG1 THR 133 HG1 THR 133 -12.821 0.299 -4.262 1021 1HG2 THR 133 HG21 THR 133 -8.848 0.764 -4.875 1022 2HG2 THR 133 HG22 THR 133 -9.474 0.013 -3.408 1023 3HG2 THR 133 HG23 THR 133 -9.698 1.743 -3.677 1024 H MET 134 HN MET 134 -10.472 0.702 -8.585 1025 HA MET 134 HA MET 134 -13.198 -0.301 -9.258 1026 1HB MET 134 HB2 MET 134 -10.785 0.210 -11.025 1027 2HB MET 134 HB1 MET 134 -12.459 0.025 -11.546 1028 1HG MET 134 HG2 MET 134 -11.677 2.196 -9.607 1029 2HG MET 134 HG1 MET 134 -11.513 2.431 -11.347 1030 1HE MET 134 HE1 MET 134 -14.447 2.682 -12.966 1031 2HE MET 134 HE2 MET 134 -14.631 0.979 -12.555 1032 3HE MET 134 HE3 MET 134 -13.027 1.632 -12.874 1033 H ALA 135 HN ALA 135 -10.920 -1.802 -7.726 1034 HA ALA 135 HA ALA 135 -9.744 -3.832 -9.255 1035 1HB ALA 135 HB1 ALA 135 -9.220 -3.664 -6.952 1036 2HB ALA 135 HB2 ALA 135 -10.119 -5.176 -7.067 1037 3HB ALA 135 HB3 ALA 135 -10.918 -3.720 -6.476 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -0.636 10.256 17.127 2 2H MET 1 HT2 MET 1 -0.061 8.865 17.914 3 3H MET 1 HT3 MET 1 -1.729 9.186 17.858 4 HA MET 1 HA MET 1 -1.250 7.481 16.253 5 1HB MET 1 HB2 MET 1 -2.940 9.215 15.795 6 2HB MET 1 HB1 MET 1 -1.698 10.249 15.088 7 1HG MET 1 HG2 MET 1 -1.252 8.494 13.380 8 2HG MET 1 HG1 MET 1 -2.565 7.531 14.058 9 1HE MET 1 HE1 MET 1 -5.136 8.292 11.753 10 2HE MET 1 HE2 MET 1 -5.274 8.103 13.499 11 3HE MET 1 HE3 MET 1 -4.061 7.182 12.614 12 H LEU 2 HN LEU 2 0.733 10.409 15.788 13 HA LEU 2 HA LEU 2 2.295 9.443 13.589 14 1HB LEU 2 HB2 LEU 2 2.085 11.799 14.359 15 2HB LEU 2 HB1 LEU 2 2.994 11.388 15.812 16 HG LEU 2 HG LEU 2 4.598 10.413 13.769 17 1HD1 LEU 2 HD11 LEU 2 4.260 11.582 11.877 18 2HD1 LEU 2 HD12 LEU 2 4.399 13.102 12.760 19 3HD1 LEU 2 HD13 LEU 2 2.830 12.309 12.610 20 1HD2 LEU 2 HD21 LEU 2 5.295 11.636 15.815 21 2HD2 LEU 2 HD22 LEU 2 4.710 13.139 15.103 22 3HD2 LEU 2 HD23 LEU 2 6.070 12.287 14.371 23 H SER 3 HN SER 3 2.255 8.498 16.886 24 HA SER 3 HA SER 3 4.840 7.934 17.652 25 1HB SER 3 HB2 SER 3 2.451 7.275 18.575 26 2HB SER 3 HB1 SER 3 2.788 5.749 17.762 27 HG SER 3 HG SER 3 3.777 5.387 19.609 28 H GLN 4 HN GLN 4 2.906 5.600 15.751 29 HA GLN 4 HA GLN 4 5.378 4.884 14.263 30 1HB GLN 4 HB2 GLN 4 3.629 3.063 15.924 31 2HB GLN 4 HB1 GLN 4 4.776 2.454 14.727 32 1HG GLN 4 HG2 GLN 4 6.418 4.128 16.038 33 2HG GLN 4 HG1 GLN 4 5.295 3.776 17.352 34 1HE2 GLN 4 HE21 GLN 4 8.079 2.628 15.797 35 2HE2 GLN 4 HE22 GLN 4 8.043 1.031 16.373 36 H ILE 5 HN ILE 5 4.961 3.725 12.283 37 HA ILE 5 HA ILE 5 2.167 4.048 11.232 38 HB ILE 5 HB ILE 5 4.888 4.280 9.903 39 1HG1 ILE 5 HG12 ILE 5 2.828 6.424 10.494 40 2HG1 ILE 5 HG11 ILE 5 4.238 6.115 11.507 41 1HG2 ILE 5 HG21 ILE 5 2.847 3.452 8.534 42 2HG2 ILE 5 HG22 ILE 5 3.776 4.809 7.898 43 3HG2 ILE 5 HG23 ILE 5 2.241 5.098 8.718 44 1HD1 ILE 5 HD11 ILE 5 4.782 6.437 8.608 45 2HD1 ILE 5 HD12 ILE 5 5.691 7.032 9.999 46 3HD1 ILE 5 HD13 ILE 5 4.248 7.887 9.456 47 H ALA 6 HN ALA 6 1.262 2.176 10.297 48 HA ALA 6 HA ALA 6 2.927 -0.282 10.301 49 1HB ALA 6 HB1 ALA 6 0.051 -0.278 9.576 50 2HB ALA 6 HB2 ALA 6 0.441 0.273 11.205 51 3HB ALA 6 HB3 ALA 6 0.927 -1.339 10.679 52 H ILE 7 HN ILE 7 3.932 -0.731 8.382 53 HA ILE 7 HA ILE 7 2.466 -0.056 5.856 54 HB ILE 7 HB ILE 7 5.435 -0.111 6.497 55 1HG1 ILE 7 HG12 ILE 7 3.530 2.167 5.873 56 2HG1 ILE 7 HG11 ILE 7 4.208 1.801 7.459 57 1HG2 ILE 7 HG21 ILE 7 5.819 0.665 4.249 58 2HG2 ILE 7 HG22 ILE 7 4.090 0.823 3.945 59 3HG2 ILE 7 HG23 ILE 7 4.812 -0.777 4.124 60 1HD1 ILE 7 HD11 ILE 7 5.497 3.593 6.400 61 2HD1 ILE 7 HD12 ILE 7 5.775 2.587 4.981 62 3HD1 ILE 7 HD13 ILE 7 6.494 2.146 6.530 63 H CYS 8 HN CYS 8 1.895 -1.811 4.708 64 HA CYS 8 HA CYS 8 3.195 -4.426 5.310 65 1HB CYS 8 HB2 CYS 8 1.178 -5.281 4.100 66 2HB CYS 8 HB1 CYS 8 0.767 -4.275 5.486 67 HG CYS 8 HG CYS 8 -0.081 -2.464 3.959 68 H ILE 9 HN ILE 9 4.975 -4.678 3.940 69 HA ILE 9 HA ILE 9 4.671 -3.708 1.140 70 HB ILE 9 HB ILE 9 6.580 -2.922 2.402 71 1HG1 ILE 9 HG12 ILE 9 6.762 -3.851 -0.073 72 2HG1 ILE 9 HG11 ILE 9 8.210 -3.345 0.793 73 1HG2 ILE 9 HG21 ILE 9 6.856 -4.479 4.124 74 2HG2 ILE 9 HG22 ILE 9 8.268 -4.770 3.104 75 3HG2 ILE 9 HG23 ILE 9 6.872 -5.841 3.006 76 1HD1 ILE 9 HD11 ILE 9 7.584 -6.132 1.368 77 2HD1 ILE 9 HD12 ILE 9 9.063 -5.434 0.715 78 3HD1 ILE 9 HD13 ILE 9 7.736 -5.860 -0.361 79 H TRP 10 HN TRP 10 4.784 -5.103 -0.596 80 HA TRP 10 HA TRP 10 5.085 -8.018 0.054 81 1HB TRP 10 HB2 TRP 10 2.801 -7.690 -0.540 82 2HB TRP 10 HB1 TRP 10 3.220 -6.558 -1.830 83 HD1 TRP 10 HD1 TRP 10 5.115 -9.829 -1.333 84 HE1 TRP 10 HE1 TRP 10 4.744 -11.339 -3.388 85 HE3 TRP 10 HE3 TRP 10 1.557 -7.112 -3.785 86 HZ2 TRP 10 HZ2 TRP 10 3.141 -11.391 -5.752 87 HZ3 TRP 10 HZ3 TRP 10 0.632 -7.911 -5.931 88 HH2 TRP 10 HH2 TRP 10 1.414 -10.050 -6.920 89 H VAL 11 HN VAL 11 7.120 -8.496 -0.693 90 HA VAL 11 HA VAL 11 7.707 -7.861 -3.529 91 HB VAL 11 HB VAL 11 8.440 -5.998 -2.003 92 1HG1 VAL 11 HG11 VAL 11 10.448 -8.011 -0.973 93 2HG1 VAL 11 HG12 VAL 11 8.974 -7.579 -0.104 94 3HG1 VAL 11 HG13 VAL 11 10.199 -6.356 -0.426 95 1HG2 VAL 11 HG21 VAL 11 10.293 -7.593 -3.719 96 2HG2 VAL 11 HG22 VAL 11 10.967 -6.257 -2.790 97 3HG2 VAL 11 HG23 VAL 11 9.674 -5.961 -3.951 98 H GLU 12 HN GLU 12 8.697 -9.628 -4.461 99 HA GLU 12 HA GLU 12 9.433 -11.898 -2.715 100 1HB GLU 12 HB2 GLU 12 9.232 -11.496 -5.715 101 2HB GLU 12 HB1 GLU 12 9.623 -13.038 -4.956 102 1HG GLU 12 HG2 GLU 12 7.461 -12.849 -3.667 103 2HG GLU 12 HG1 GLU 12 7.063 -11.447 -4.661 104 H SER 13 HN SER 13 11.093 -9.238 -3.490 105 HA SER 13 HA SER 13 13.655 -10.736 -3.941 106 1HB SER 13 HB2 SER 13 12.704 -9.228 -5.787 107 2HB SER 13 HB1 SER 13 13.043 -7.875 -4.714 108 HG SER 13 HG SER 13 15.227 -9.175 -4.648 109 H THR 14 HN THR 14 15.323 -10.265 -2.497 110 HA THR 14 HA THR 14 14.675 -8.878 -0.033 111 HB THR 14 HB THR 14 17.461 -9.536 -0.924 112 HG1 THR 14 HG1 THR 14 16.896 -11.747 -0.327 113 1HG2 THR 14 HG21 THR 14 17.051 -10.684 1.502 114 2HG2 THR 14 HG22 THR 14 15.894 -9.355 1.576 115 3HG2 THR 14 HG23 THR 14 17.603 -9.022 1.292 116 H ALA 15 HN ALA 15 16.920 -8.155 -2.741 117 HA ALA 15 HA ALA 15 17.938 -5.703 -1.822 118 1HB ALA 15 HB1 ALA 15 18.293 -7.174 -3.998 119 2HB ALA 15 HB2 ALA 15 18.609 -5.440 -4.058 120 3HB ALA 15 HB3 ALA 15 17.091 -6.082 -4.686 121 H ILE 16 HN ILE 16 14.951 -6.295 -3.700 122 HA ILE 16 HA ILE 16 14.067 -3.550 -3.673 123 HB ILE 16 HB ILE 16 12.656 -6.221 -3.984 124 1HG1 ILE 16 HG12 ILE 16 13.397 -4.180 -6.096 125 2HG1 ILE 16 HG11 ILE 16 14.472 -5.503 -5.643 126 1HG2 ILE 16 HG21 ILE 16 11.044 -4.496 -3.335 127 2HG2 ILE 16 HG22 ILE 16 10.846 -4.882 -5.045 128 3HG2 ILE 16 HG23 ILE 16 11.686 -3.407 -4.564 129 1HD1 ILE 16 HD11 ILE 16 11.644 -6.204 -6.268 130 2HD1 ILE 16 HD12 ILE 16 13.125 -7.105 -6.595 131 3HD1 ILE 16 HD13 ILE 16 12.677 -5.742 -7.622 132 H LEU 17 HN LEU 17 13.388 -6.387 -1.617 133 HA LEU 17 HA LEU 17 11.489 -5.195 0.143 134 1HB LEU 17 HB2 LEU 17 11.752 -7.524 0.284 135 2HB LEU 17 HB1 LEU 17 13.507 -7.424 0.231 136 HG LEU 17 HG LEU 17 12.368 -8.036 2.492 137 1HD1 LEU 17 HD11 LEU 17 14.773 -6.832 1.819 138 2HD1 LEU 17 HD12 LEU 17 14.366 -7.503 3.399 139 3HD1 LEU 17 HD13 LEU 17 14.139 -5.783 3.087 140 1HD2 LEU 17 HD21 LEU 17 12.303 -5.269 3.322 141 2HD2 LEU 17 HD22 LEU 17 11.052 -6.502 3.482 142 3HD2 LEU 17 HD23 LEU 17 11.147 -5.530 2.016 143 H GLN 18 HN GLN 18 15.034 -5.301 0.212 144 HA GLN 18 HA GLN 18 15.316 -3.890 2.724 145 1HB GLN 18 HB2 GLN 18 17.104 -4.419 0.336 146 2HB GLN 18 HB1 GLN 18 17.679 -3.594 1.784 147 1HG GLN 18 HG2 GLN 18 16.775 -5.605 3.098 148 2HG GLN 18 HG1 GLN 18 16.646 -6.423 1.540 149 1HE2 GLN 18 HE21 GLN 18 18.656 -6.355 4.091 150 2HE2 GLN 18 HE22 GLN 18 20.158 -6.535 3.324 151 H ASP 19 HN ASP 19 15.539 -2.839 -0.687 152 HA ASP 19 HA ASP 19 16.138 -0.104 -0.187 153 1HB ASP 19 HB2 ASP 19 14.556 -1.433 -2.413 154 2HB ASP 19 HB1 ASP 19 15.289 0.167 -2.501 155 H CYS 20 HN CYS 20 13.011 -1.777 -0.476 156 HA CYS 20 HA CYS 20 11.358 0.557 -0.329 157 1HB CYS 20 HB2 CYS 20 10.971 -2.368 0.357 158 2HB CYS 20 HB1 CYS 20 9.647 -1.202 0.316 159 HG CYS 20 HG CYS 20 11.127 -1.011 -2.281 160 H GLN 21 HN GLN 21 12.670 -1.605 2.216 161 HA GLN 21 HA GLN 21 11.282 -0.077 4.316 162 1HB GLN 21 HB2 GLN 21 13.318 -2.324 4.400 163 2HB GLN 21 HB1 GLN 21 12.364 -1.749 5.765 164 1HG GLN 21 HG2 GLN 21 10.286 -2.284 4.446 165 2HG GLN 21 HG1 GLN 21 11.321 -3.049 3.239 166 1HE2 GLN 21 HE21 GLN 21 13.196 -3.905 5.533 167 2HE2 GLN 21 HE22 GLN 21 12.424 -5.260 6.205 168 H ARG 22 HN ARG 22 14.535 -0.360 2.927 169 HA ARG 22 HA ARG 22 16.046 0.943 4.918 170 1HB ARG 22 HB2 ARG 22 16.126 0.713 1.926 171 2HB ARG 22 HB1 ARG 22 17.234 1.846 2.699 172 1HG ARG 22 HG2 ARG 22 17.047 -1.145 3.112 173 2HG ARG 22 HG1 ARG 22 18.435 -0.210 2.558 174 1HD ARG 22 HD2 ARG 22 17.963 0.987 4.961 175 2HD ARG 22 HD1 ARG 22 17.463 -0.678 5.313 176 HE ARG 22 HE ARG 22 19.805 -1.076 3.960 177 1HH1 ARG 22 HH11 ARG 22 18.886 0.982 6.584 178 2HH1 ARG 22 HH12 ARG 22 20.473 1.019 7.276 179 1HH2 ARG 22 HH21 ARG 22 21.865 -1.053 4.870 180 2HH2 ARG 22 HH22 ARG 22 22.157 -0.138 6.311 181 H ALA 23 HN ALA 23 14.321 2.416 2.148 182 HA ALA 23 HA ALA 23 14.757 5.137 2.955 183 1HB ALA 23 HB1 ALA 23 13.057 5.599 1.310 184 2HB ALA 23 HB2 ALA 23 12.346 3.998 1.516 185 3HB ALA 23 HB3 ALA 23 13.911 4.168 0.731 186 H LEU 24 HN LEU 24 12.042 2.859 3.488 187 HA LEU 24 HA LEU 24 10.753 4.620 5.465 188 1HB LEU 24 HB2 LEU 24 10.294 1.735 4.597 189 2HB LEU 24 HB1 LEU 24 9.164 2.717 5.531 190 HG LEU 24 HG LEU 24 10.142 3.355 2.735 191 1HD1 LEU 24 HD11 LEU 24 8.071 2.623 1.928 192 2HD1 LEU 24 HD12 LEU 24 7.311 2.728 3.515 193 3HD1 LEU 24 HD13 LEU 24 8.438 1.418 3.162 194 1HD2 LEU 24 HD21 LEU 24 9.674 5.419 3.671 195 2HD2 LEU 24 HD22 LEU 24 8.453 4.763 4.759 196 3HD2 LEU 24 HD23 LEU 24 8.087 4.971 3.046 197 H SER 25 HN SER 25 13.084 4.469 6.594 198 HA SER 25 HA SER 25 13.273 2.008 8.278 199 1HB SER 25 HB2 SER 25 15.591 3.149 8.711 200 2HB SER 25 HB1 SER 25 15.292 2.395 7.149 201 HG SER 25 HG SER 25 14.952 4.369 6.260 202 H ALA 26 HN ALA 26 12.139 5.176 8.436 203 HA ALA 26 HA ALA 26 12.854 6.360 10.804 204 1HB ALA 26 HB1 ALA 26 10.774 7.390 10.653 205 2HB ALA 26 HB2 ALA 26 9.933 5.873 10.344 206 3HB ALA 26 HB3 ALA 26 10.846 6.653 9.053 207 H ASP 27 HN ASP 27 12.664 5.897 13.004 208 HA ASP 27 HA ASP 27 12.374 3.213 13.904 209 1HB ASP 27 HB2 ASP 27 12.322 5.952 15.155 210 2HB ASP 27 HB1 ASP 27 12.065 4.519 16.150 211 H ARG 28 HN ARG 28 9.989 5.497 13.011 212 HA ARG 28 HA ARG 28 7.893 4.253 14.709 213 1HB ARG 28 HB2 ARG 28 6.601 6.175 13.974 214 2HB ARG 28 HB1 ARG 28 8.216 6.748 14.383 215 1HG ARG 28 HG2 ARG 28 8.793 6.391 11.907 216 2HG ARG 28 HG1 ARG 28 7.057 6.249 11.640 217 1HD ARG 28 HD2 ARG 28 6.748 8.501 12.698 218 2HD ARG 28 HD1 ARG 28 8.517 8.648 12.799 219 HE ARG 28 HE ARG 28 8.037 7.889 10.167 220 1HH1 ARG 28 HH11 ARG 28 7.009 10.426 12.273 221 2HH1 ARG 28 HH12 ARG 28 6.814 11.579 10.995 222 1HH2 ARG 28 HH21 ARG 28 7.790 9.374 8.502 223 2HH2 ARG 28 HH22 ARG 28 7.243 10.979 8.855 224 H TYR 29 HN TYR 29 9.342 3.257 11.993 225 HA TYR 29 HA TYR 29 6.881 2.827 10.398 226 1HB TYR 29 HB2 TYR 29 9.831 2.770 9.980 227 2HB TYR 29 HB1 TYR 29 8.851 1.738 8.935 228 HD1 TYR 29 HD1 TYR 29 10.427 4.617 8.632 229 HD2 TYR 29 HD2 TYR 29 6.369 3.263 8.690 230 HE1 TYR 29 HE1 TYR 29 9.747 6.610 7.343 231 HE2 TYR 29 HE2 TYR 29 5.675 5.246 7.402 232 HH TYR 29 HH TYR 29 7.486 7.010 5.631 233 H GLN 30 HN GLN 30 5.825 0.938 10.391 234 HA GLN 30 HA GLN 30 7.175 -1.461 11.594 235 1HB GLN 30 HB2 GLN 30 5.263 -0.552 12.886 236 2HB GLN 30 HB1 GLN 30 4.243 -0.675 11.458 237 1HG GLN 30 HG2 GLN 30 4.606 -3.120 11.411 238 2HG GLN 30 HG1 GLN 30 5.601 -2.991 12.862 239 1HE2 GLN 30 HE21 GLN 30 3.108 -4.512 12.700 240 2HE2 GLN 30 HE22 GLN 30 2.014 -3.795 13.781 241 H LEU 31 HN LEU 31 8.025 -1.975 9.438 242 HA LEU 31 HA LEU 31 6.090 -2.412 7.277 243 1HB LEU 31 HB2 LEU 31 9.056 -2.954 7.408 244 2HB LEU 31 HB1 LEU 31 8.079 -2.718 5.961 245 HG LEU 31 HG LEU 31 7.717 -0.502 7.781 246 1HD1 LEU 31 HD11 LEU 31 9.851 -0.587 8.654 247 2HD1 LEU 31 HD12 LEU 31 10.201 0.268 7.153 248 3HD1 LEU 31 HD13 LEU 31 10.497 -1.464 7.267 249 1HD2 LEU 31 HD21 LEU 31 7.220 -0.516 5.361 250 2HD2 LEU 31 HD22 LEU 31 8.936 -0.725 5.012 251 3HD2 LEU 31 HD23 LEU 31 8.364 0.762 5.769 252 H GLN 32 HN GLN 32 5.076 -4.314 6.996 253 HA GLN 32 HA GLN 32 6.223 -6.807 8.186 254 1HB GLN 32 HB2 GLN 32 3.878 -6.044 8.711 255 2HB GLN 32 HB1 GLN 32 3.491 -6.191 6.996 256 1HG GLN 32 HG2 GLN 32 2.785 -8.216 8.170 257 2HG GLN 32 HG1 GLN 32 4.128 -8.598 7.091 258 1HE2 GLN 32 HE21 GLN 32 5.685 -9.877 8.082 259 2HE2 GLN 32 HE22 GLN 32 6.069 -9.847 9.735 260 H VAL 33 HN VAL 33 7.426 -7.985 6.681 261 HA VAL 33 HA VAL 33 6.990 -7.469 3.812 262 HB VAL 33 HB VAL 33 8.943 -9.333 5.173 263 1HG1 VAL 33 HG11 VAL 33 8.419 -8.465 2.439 264 2HG1 VAL 33 HG12 VAL 33 9.467 -9.761 3.016 265 3HG1 VAL 33 HG13 VAL 33 10.074 -8.107 2.935 266 1HG2 VAL 33 HG21 VAL 33 9.360 -6.427 4.428 267 2HG2 VAL 33 HG22 VAL 33 10.482 -7.476 5.292 268 3HG2 VAL 33 HG23 VAL 33 8.983 -6.960 6.066 269 H CYS 34 HN CYS 34 5.807 -8.728 2.526 270 HA CYS 34 HA CYS 34 4.982 -11.442 3.513 271 1HB CYS 34 HB2 CYS 34 3.753 -9.417 1.615 272 2HB CYS 34 HB1 CYS 34 3.103 -11.042 1.840 273 HG CYS 34 HG CYS 34 3.110 -10.200 4.536 274 H GLU 35 HN GLU 35 6.116 -13.057 2.510 275 HA GLU 35 HA GLU 35 7.873 -12.742 0.320 276 1HB GLU 35 HB2 GLU 35 6.354 -15.195 1.242 277 2HB GLU 35 HB1 GLU 35 7.848 -15.196 0.309 278 1HG GLU 35 HG2 GLU 35 8.908 -13.889 2.211 279 2HG GLU 35 HG1 GLU 35 7.449 -14.226 3.146 280 H SER 36 HN SER 36 4.466 -13.817 0.344 281 HA SER 36 HA SER 36 4.554 -13.853 -2.651 282 1HB SER 36 HB2 SER 36 2.568 -15.044 -0.689 283 2HB SER 36 HB1 SER 36 2.626 -15.347 -2.424 284 HG SER 36 HG SER 36 3.958 -16.889 -1.906 285 H GLY 37 HN GLY 37 1.885 -13.512 -3.227 286 1HA GLY 37 HA2 GLY 37 1.435 -10.695 -2.376 287 2HA GLY 37 HA1 GLY 37 0.708 -11.467 -3.794 288 H GLU 38 HN GLU 38 0.212 -13.922 -2.265 289 HA GLU 38 HA GLU 38 -2.448 -13.352 -1.312 290 1HB GLU 38 HB2 GLU 38 -0.538 -15.627 -1.591 291 2HB GLU 38 HB1 GLU 38 -1.882 -15.849 -0.486 292 1HG GLU 38 HG2 GLU 38 -2.975 -14.650 -2.795 293 2HG GLU 38 HG1 GLU 38 -1.886 -15.914 -3.370 294 H MET 39 HN MET 39 0.740 -13.729 0.110 295 HA MET 39 HA MET 39 -0.084 -13.974 2.848 296 1HB MET 39 HB2 MET 39 2.442 -13.072 1.443 297 2HB MET 39 HB1 MET 39 2.349 -13.252 3.193 298 1HG MET 39 HG2 MET 39 1.537 -15.620 2.816 299 2HG MET 39 HG1 MET 39 1.920 -15.407 1.108 300 1HE MET 39 HE1 MET 39 4.665 -15.887 4.691 301 2HE MET 39 HE2 MET 39 2.905 -15.847 4.605 302 3HE MET 39 HE3 MET 39 3.817 -14.341 4.552 303 H LEU 40 HN LEU 40 0.569 -11.192 0.737 304 HA LEU 40 HA LEU 40 0.537 -9.132 2.740 305 1HB LEU 40 HB2 LEU 40 1.149 -9.138 0.193 306 2HB LEU 40 HB1 LEU 40 -0.574 -8.873 -0.061 307 HG LEU 40 HG LEU 40 0.463 -6.706 -0.011 308 1HD1 LEU 40 HD11 LEU 40 -0.811 -5.660 1.654 309 2HD1 LEU 40 HD12 LEU 40 -0.568 -6.976 2.804 310 3HD1 LEU 40 HD13 LEU 40 -1.655 -7.192 1.432 311 1HD2 LEU 40 HD21 LEU 40 2.116 -7.986 2.024 312 2HD2 LEU 40 HD22 LEU 40 1.555 -6.393 2.535 313 3HD2 LEU 40 HD23 LEU 40 2.459 -6.569 1.031 314 H LEU 41 HN LEU 41 -2.020 -10.559 0.710 315 HA LEU 41 HA LEU 41 -4.207 -9.001 1.592 316 1HB LEU 41 HB2 LEU 41 -3.954 -11.904 0.739 317 2HB LEU 41 HB1 LEU 41 -5.485 -11.038 0.844 318 HG LEU 41 HG LEU 41 -3.140 -10.207 -0.883 319 1HD1 LEU 41 HD11 LEU 41 -5.773 -11.562 -1.531 320 2HD1 LEU 41 HD12 LEU 41 -4.157 -12.230 -1.758 321 3HD1 LEU 41 HD13 LEU 41 -4.695 -10.869 -2.743 322 1HD2 LEU 41 HD21 LEU 41 -5.755 -9.119 -1.533 323 2HD2 LEU 41 HD22 LEU 41 -4.250 -8.262 -1.200 324 3HD2 LEU 41 HD23 LEU 41 -5.312 -8.727 0.128 325 H GLU 42 HN GLU 42 -2.999 -12.132 2.873 326 HA GLU 42 HA GLU 42 -4.904 -12.437 4.939 327 1HB GLU 42 HB2 GLU 42 -3.121 -14.048 4.101 328 2HB GLU 42 HB1 GLU 42 -1.963 -13.153 5.086 329 1HG GLU 42 HG2 GLU 42 -2.794 -15.076 6.352 330 2HG GLU 42 HG1 GLU 42 -3.383 -13.586 7.092 331 H TYR 43 HN TYR 43 -1.849 -10.569 4.923 332 HA TYR 43 HA TYR 43 -2.006 -9.827 7.718 333 1HB TYR 43 HB2 TYR 43 0.103 -9.706 6.593 334 2HB TYR 43 HB1 TYR 43 -0.575 -8.742 5.279 335 HD1 TYR 43 HD1 TYR 43 0.629 -8.702 8.754 336 HD2 TYR 43 HD2 TYR 43 -1.130 -6.365 5.606 337 HE1 TYR 43 HE1 TYR 43 1.137 -6.624 10.009 338 HE2 TYR 43 HE2 TYR 43 -0.616 -4.288 6.861 339 HH TYR 43 HH TYR 43 1.524 -4.095 9.311 340 H ALA 44 HN ALA 44 -3.138 -8.331 4.692 341 HA ALA 44 HA ALA 44 -4.153 -5.953 6.112 342 1HB ALA 44 HB1 ALA 44 -4.303 -5.076 3.980 343 2HB ALA 44 HB2 ALA 44 -4.844 -6.602 3.280 344 3HB ALA 44 HB3 ALA 44 -3.139 -6.362 3.657 345 H GLN 45 HN GLN 45 -5.348 -9.045 5.056 346 HA GLN 45 HA GLN 45 -8.140 -8.426 4.789 347 1HB GLN 45 HB2 GLN 45 -6.457 -10.859 5.336 348 2HB GLN 45 HB1 GLN 45 -8.215 -10.980 5.402 349 1HG GLN 45 HG2 GLN 45 -8.427 -10.224 3.133 350 2HG GLN 45 HG1 GLN 45 -6.714 -9.827 3.048 351 1HE2 GLN 45 HE21 GLN 45 -7.642 -11.586 1.120 352 2HE2 GLN 45 HE22 GLN 45 -7.109 -13.163 1.452 353 H THR 46 HN THR 46 -6.135 -8.460 7.572 354 HA THR 46 HA THR 46 -8.589 -8.660 9.291 355 HB THR 46 HB THR 46 -7.496 -10.177 10.699 356 HG1 THR 46 HG1 THR 46 -5.457 -9.981 11.156 357 1HG2 THR 46 HG21 THR 46 -7.782 -10.976 8.234 358 2HG2 THR 46 HG22 THR 46 -6.789 -11.949 9.318 359 3HG2 THR 46 HG23 THR 46 -6.024 -10.863 8.158 360 H HIS 47 HN HIS 47 -6.744 -6.386 8.221 361 HA HIS 47 HA HIS 47 -6.832 -4.780 10.642 362 1HB HIS 47 HB2 HIS 47 -4.391 -6.258 9.822 363 2HB HIS 47 HB1 HIS 47 -4.145 -4.580 10.302 364 HD1 HIS 47 HD1 HIS 47 -6.523 -4.599 12.446 365 HD2 HIS 47 HD2 HIS 47 -3.382 -7.332 12.247 366 HE1 HIS 47 HE1 HIS 47 -6.288 -5.586 14.762 367 H ARG 48 HN ARG 48 -7.707 -4.491 7.855 368 HA ARG 48 HA ARG 48 -6.018 -2.930 6.203 369 1HB ARG 48 HB2 ARG 48 -8.869 -2.078 6.482 370 2HB ARG 48 HB1 ARG 48 -7.942 -2.414 5.025 371 1HG ARG 48 HG2 ARG 48 -8.015 -4.867 5.773 372 2HG ARG 48 HG1 ARG 48 -9.286 -4.362 6.883 373 1HD ARG 48 HD2 ARG 48 -10.024 -3.163 4.490 374 2HD ARG 48 HD1 ARG 48 -9.422 -4.752 3.985 375 HE ARG 48 HE ARG 48 -11.815 -4.288 5.551 376 1HH1 ARG 48 HH11 ARG 48 -9.123 -6.384 5.032 377 2HH1 ARG 48 HH12 ARG 48 -9.930 -7.785 5.648 378 1HH2 ARG 48 HH21 ARG 48 -12.883 -6.118 6.348 379 2HH2 ARG 48 HH22 ARG 48 -12.052 -7.637 6.385 380 H ASP 49 HN ASP 49 -8.392 -1.762 8.565 381 HA ASP 49 HA ASP 49 -7.743 1.003 8.456 382 1HB ASP 49 HB2 ASP 49 -8.929 1.079 10.598 383 2HB ASP 49 HB1 ASP 49 -9.729 -0.074 9.528 384 H GLN 50 HN GLN 50 -6.014 -1.644 9.915 385 HA GLN 50 HA GLN 50 -4.485 0.108 11.724 386 1HB GLN 50 HB2 GLN 50 -4.301 -2.835 11.016 387 2HB GLN 50 HB1 GLN 50 -3.443 -2.054 12.345 388 1HG GLN 50 HG2 GLN 50 -6.458 -2.125 12.024 389 2HG GLN 50 HG1 GLN 50 -5.536 -3.149 13.123 390 1HE2 GLN 50 HE21 GLN 50 -7.481 -0.583 13.327 391 2HE2 GLN 50 HE22 GLN 50 -6.718 0.316 14.548 392 H ILE 51 HN ILE 51 -4.168 -1.128 8.470 393 HA ILE 51 HA ILE 51 -1.246 -0.859 8.371 394 HB ILE 51 HB ILE 51 -3.158 -0.919 6.025 395 1HG1 ILE 51 HG12 ILE 51 -4.038 -2.732 7.199 396 2HG1 ILE 51 HG11 ILE 51 -2.748 -3.506 6.287 397 1HG2 ILE 51 HG21 ILE 51 -1.284 -1.331 4.846 398 2HG2 ILE 51 HG22 ILE 51 -0.828 -2.641 5.935 399 3HG2 ILE 51 HG23 ILE 51 -0.361 -0.982 6.308 400 1HD1 ILE 51 HD11 ILE 51 -2.910 -2.927 9.212 401 2HD1 ILE 51 HD12 ILE 51 -1.325 -2.807 8.449 402 3HD1 ILE 51 HD13 ILE 51 -2.224 -4.322 8.379 403 H ASP 52 HN ASP 52 -0.150 1.022 7.877 404 HA ASP 52 HA ASP 52 -1.780 3.456 7.370 405 1HB ASP 52 HB2 ASP 52 0.955 2.829 8.457 406 2HB ASP 52 HB1 ASP 52 0.542 4.471 7.970 407 H CYS 53 HN CYS 53 0.521 1.369 5.747 408 HA CYS 53 HA CYS 53 0.199 2.928 3.276 409 1HB CYS 53 HB2 CYS 53 2.256 3.562 5.078 410 2HB CYS 53 HB1 CYS 53 3.043 2.624 3.807 411 HG CYS 53 HG CYS 53 2.971 5.070 2.938 412 H LEU 54 HN LEU 54 0.199 1.446 1.593 413 HA LEU 54 HA LEU 54 1.334 -1.265 2.184 414 1HB LEU 54 HB2 LEU 54 -0.958 -1.363 1.615 415 2HB LEU 54 HB1 LEU 54 -0.794 -0.131 0.370 416 HG LEU 54 HG LEU 54 0.325 -1.656 -1.116 417 1HD1 LEU 54 HD11 LEU 54 1.292 -2.822 1.177 418 2HD1 LEU 54 HD12 LEU 54 1.492 -3.476 -0.439 419 3HD1 LEU 54 HD13 LEU 54 0.173 -4.040 0.587 420 1HD2 LEU 54 HD21 LEU 54 -2.266 -2.003 -0.330 421 2HD2 LEU 54 HD22 LEU 54 -1.613 -3.615 -0.040 422 3HD2 LEU 54 HD23 LEU 54 -1.513 -2.899 -1.649 423 H ILE 55 HN ILE 55 3.190 -1.938 1.103 424 HA ILE 55 HA ILE 55 4.136 -0.172 -1.138 425 HB ILE 55 HB ILE 55 5.580 -2.333 0.428 426 1HG1 ILE 55 HG12 ILE 55 5.786 0.671 0.738 427 2HG1 ILE 55 HG11 ILE 55 4.817 -0.357 1.800 428 1HG2 ILE 55 HG21 ILE 55 6.228 -1.040 -1.981 429 2HG2 ILE 55 HG22 ILE 55 7.318 -1.978 -0.959 430 3HG2 ILE 55 HG23 ILE 55 7.193 -0.232 -0.747 431 1HD1 ILE 55 HD11 ILE 55 7.582 0.180 2.008 432 2HD1 ILE 55 HD12 ILE 55 7.448 -1.494 1.467 433 3HD1 ILE 55 HD13 ILE 55 6.645 -0.978 2.951 434 H LEU 56 HN LEU 56 4.301 -0.998 -3.204 435 HA LEU 56 HA LEU 56 4.000 -3.936 -3.541 436 1HB LEU 56 HB2 LEU 56 2.281 -1.726 -4.679 437 2HB LEU 56 HB1 LEU 56 2.281 -3.358 -5.333 438 HG LEU 56 HG LEU 56 1.769 -2.749 -2.424 439 1HD1 LEU 56 HD11 LEU 56 0.045 -2.585 -4.787 440 2HD1 LEU 56 HD12 LEU 56 -0.243 -2.003 -3.146 441 3HD1 LEU 56 HD13 LEU 56 -0.577 -3.685 -3.558 442 1HD2 LEU 56 HD21 LEU 56 2.616 -5.065 -3.423 443 2HD2 LEU 56 HD22 LEU 56 0.931 -5.220 -3.906 444 3HD2 LEU 56 HD23 LEU 56 1.346 -5.032 -2.204 445 H VAL 57 HN VAL 57 4.626 -4.679 -5.675 446 HA VAL 57 HA VAL 57 6.467 -2.790 -7.116 447 HB VAL 57 HB VAL 57 6.750 -5.659 -6.195 448 1HG1 VAL 57 HG11 VAL 57 8.305 -4.182 -8.330 449 2HG1 VAL 57 HG12 VAL 57 7.505 -5.748 -8.459 450 3HG1 VAL 57 HG13 VAL 57 8.959 -5.580 -7.475 451 1HG2 VAL 57 HG21 VAL 57 7.443 -3.437 -4.904 452 2HG2 VAL 57 HG22 VAL 57 8.847 -3.531 -5.967 453 3HG2 VAL 57 HG23 VAL 57 8.479 -4.864 -4.873 454 H ALA 58 HN ALA 58 5.690 -2.533 -9.193 455 HA ALA 58 HA ALA 58 3.686 -4.168 -10.416 456 1HB ALA 58 HB1 ALA 58 4.112 -1.873 -11.070 457 2HB ALA 58 HB2 ALA 58 4.441 -2.899 -12.466 458 3HB ALA 58 HB3 ALA 58 5.776 -2.260 -11.507 459 H ALA 59 HN ALA 59 7.183 -4.434 -10.310 460 HA ALA 59 HA ALA 59 7.840 -5.982 -12.528 461 1HB ALA 59 HB1 ALA 59 9.127 -5.120 -10.383 462 2HB ALA 59 HB2 ALA 59 9.736 -6.511 -11.279 463 3HB ALA 59 HB3 ALA 59 8.811 -6.753 -9.797 464 H ASN 60 HN ASN 60 5.867 -6.933 -9.792 465 HA ASN 60 HA ASN 60 6.171 -9.793 -10.162 466 1HB ASN 60 HB2 ASN 60 4.504 -7.893 -8.588 467 2HB ASN 60 HB1 ASN 60 3.925 -9.555 -8.732 468 1HD2 ASN 60 HD21 ASN 60 5.525 -11.296 -8.070 469 2HD2 ASN 60 HD22 ASN 60 6.673 -10.932 -6.874 470 HA PRO 61 HA PRO 61 3.281 -10.572 -13.369 471 1HB PRO 61 HB2 PRO 61 2.572 -13.129 -12.712 472 2HB PRO 61 HB1 PRO 61 4.154 -12.707 -13.396 473 1HG PRO 61 HG2 PRO 61 3.413 -13.338 -10.596 474 2HG PRO 61 HG1 PRO 61 4.908 -13.673 -11.476 475 1HD PRO 61 HD2 PRO 61 4.570 -11.630 -9.648 476 2HD PRO 61 HD1 PRO 61 5.834 -11.689 -10.894 477 H SER 62 HN SER 62 1.883 -12.350 -10.613 478 HA SER 62 HA SER 62 -0.825 -11.548 -11.279 479 1HB SER 62 HB2 SER 62 -1.150 -12.687 -8.944 480 2HB SER 62 HB1 SER 62 -0.582 -13.662 -10.296 481 HG SER 62 HG SER 62 1.036 -12.390 -8.334 482 H PHE 63 HN PHE 63 1.531 -9.681 -10.027 483 HA PHE 63 HA PHE 63 0.744 -8.494 -7.662 484 1HB PHE 63 HB2 PHE 63 2.697 -7.803 -8.773 485 2HB PHE 63 HB1 PHE 63 1.842 -7.500 -10.278 486 HD1 PHE 63 HD1 PHE 63 -0.019 -5.587 -10.144 487 HD2 PHE 63 HD2 PHE 63 3.243 -6.024 -7.395 488 HE1 PHE 63 HE1 PHE 63 -0.237 -3.224 -9.542 489 HE2 PHE 63 HE2 PHE 63 3.044 -3.644 -6.814 490 HZ PHE 63 HZ PHE 63 1.300 -2.228 -7.861 491 H ARG 64 HN ARG 64 -0.448 -7.522 -10.899 492 HA ARG 64 HA ARG 64 -2.315 -5.582 -10.164 493 1HB ARG 64 HB2 ARG 64 -2.674 -7.819 -12.197 494 2HB ARG 64 HB1 ARG 64 -3.480 -6.255 -12.233 495 1HG ARG 64 HG2 ARG 64 -0.492 -6.700 -12.488 496 2HG ARG 64 HG1 ARG 64 -1.590 -6.323 -13.810 497 1HD ARG 64 HD2 ARG 64 -2.233 -4.235 -12.404 498 2HD ARG 64 HD1 ARG 64 -0.717 -4.548 -11.538 499 HE ARG 64 HE ARG 64 -0.956 -3.808 -14.396 500 1HH1 ARG 64 HH11 ARG 64 1.001 -5.010 -11.798 501 2HH1 ARG 64 HH12 ARG 64 2.491 -4.589 -12.571 502 1HH2 ARG 64 HH21 ARG 64 0.987 -3.276 -15.397 503 2HH2 ARG 64 HH22 ARG 64 2.486 -3.623 -14.603 504 H ALA 65 HN ALA 65 -2.783 -9.080 -10.410 505 HA ALA 65 HA ALA 65 -5.475 -9.185 -9.494 506 1HB ALA 65 HB1 ALA 65 -3.924 -10.941 -10.619 507 2HB ALA 65 HB2 ALA 65 -5.060 -11.524 -9.404 508 3HB ALA 65 HB3 ALA 65 -3.365 -11.287 -8.983 509 H VAL 66 HN VAL 66 -2.399 -9.506 -7.687 510 HA VAL 66 HA VAL 66 -3.608 -9.945 -5.136 511 HB VAL 66 HB VAL 66 -0.980 -8.759 -6.061 512 1HG1 VAL 66 HG11 VAL 66 -2.122 -8.515 -3.491 513 2HG1 VAL 66 HG12 VAL 66 -0.442 -8.219 -3.937 514 3HG1 VAL 66 HG13 VAL 66 -0.935 -9.813 -3.366 515 1HG2 VAL 66 HG21 VAL 66 -0.105 -10.951 -5.514 516 2HG2 VAL 66 HG22 VAL 66 -1.531 -11.181 -6.525 517 3HG2 VAL 66 HG23 VAL 66 -1.636 -11.429 -4.781 518 H VAL 67 HN VAL 67 -2.754 -6.931 -6.871 519 HA VAL 67 HA VAL 67 -3.439 -5.177 -4.667 520 HB VAL 67 HB VAL 67 -3.430 -4.662 -7.659 521 1HG1 VAL 67 HG11 VAL 67 -3.288 -2.893 -5.204 522 2HG1 VAL 67 HG12 VAL 67 -4.496 -2.862 -6.489 523 3HG1 VAL 67 HG13 VAL 67 -2.848 -2.328 -6.816 524 1HG2 VAL 67 HG21 VAL 67 -1.302 -5.602 -6.247 525 2HG2 VAL 67 HG22 VAL 67 -1.131 -3.871 -5.953 526 3HG2 VAL 67 HG23 VAL 67 -1.147 -4.488 -7.605 527 H GLN 68 HN GLN 68 -5.232 -6.038 -7.696 528 HA GLN 68 HA GLN 68 -7.601 -4.632 -6.960 529 1HB GLN 68 HB2 GLN 68 -8.582 -5.863 -8.779 530 2HB GLN 68 HB1 GLN 68 -6.895 -5.605 -9.214 531 1HG GLN 68 HG2 GLN 68 -6.420 -7.889 -8.210 532 2HG GLN 68 HG1 GLN 68 -8.165 -8.128 -8.146 533 1HE2 GLN 68 HE21 GLN 68 -8.561 -9.567 -9.866 534 2HE2 GLN 68 HE22 GLN 68 -8.061 -9.303 -11.465 535 H GLN 69 HN GLN 69 -6.245 -7.680 -5.911 536 HA GLN 69 HA GLN 69 -8.632 -8.883 -4.849 537 1HB GLN 69 HB2 GLN 69 -6.198 -9.777 -5.217 538 2HB GLN 69 HB1 GLN 69 -5.893 -9.110 -3.612 539 1HG GLN 69 HG2 GLN 69 -6.549 -11.420 -3.335 540 2HG GLN 69 HG1 GLN 69 -7.886 -10.408 -2.786 541 1HE2 GLN 69 HE21 GLN 69 -8.605 -12.954 -3.507 542 2HE2 GLN 69 HE22 GLN 69 -9.393 -12.959 -5.009 543 H LEU 70 HN LEU 70 -6.174 -6.683 -3.430 544 HA LEU 70 HA LEU 70 -7.305 -6.497 -0.807 545 1HB LEU 70 HB2 LEU 70 -5.584 -4.804 -2.603 546 2HB LEU 70 HB1 LEU 70 -6.208 -4.078 -1.123 547 HG LEU 70 HG LEU 70 -5.211 -6.704 -0.514 548 1HD1 LEU 70 HD11 LEU 70 -3.835 -6.246 -2.606 549 2HD1 LEU 70 HD12 LEU 70 -2.901 -6.513 -1.135 550 3HD1 LEU 70 HD13 LEU 70 -3.136 -4.874 -1.745 551 1HD2 LEU 70 HD21 LEU 70 -5.061 -3.960 0.416 552 2HD2 LEU 70 HD22 LEU 70 -3.478 -4.733 0.507 553 3HD2 LEU 70 HD23 LEU 70 -4.861 -5.454 1.332 554 H CYS 71 HN CYS 71 -7.837 -4.607 -3.774 555 HA CYS 71 HA CYS 71 -9.865 -2.842 -2.793 556 1HB CYS 71 HB2 CYS 71 -9.136 -4.029 -5.481 557 2HB CYS 71 HB1 CYS 71 -10.443 -2.860 -5.316 558 HG CYS 71 HG CYS 71 -8.453 -1.336 -5.693 559 H PHE 72 HN PHE 72 -10.040 -6.049 -4.359 560 HA PHE 72 HA PHE 72 -12.813 -6.358 -4.650 561 1HB PHE 72 HB2 PHE 72 -10.937 -7.870 -5.377 562 2HB PHE 72 HB1 PHE 72 -10.803 -8.425 -3.708 563 HD1 PHE 72 HD1 PHE 72 -11.985 -10.337 -3.104 564 HD2 PHE 72 HD2 PHE 72 -13.440 -7.890 -6.321 565 HE1 PHE 72 HE1 PHE 72 -13.831 -11.947 -3.495 566 HE2 PHE 72 HE2 PHE 72 -15.285 -9.497 -6.713 567 HZ PHE 72 HZ PHE 72 -15.481 -11.527 -5.300 568 H GLU 73 HN GLU 73 -10.824 -7.258 -1.811 569 HA GLU 73 HA GLU 73 -13.115 -7.957 -0.171 570 1HB GLU 73 HB2 GLU 73 -10.298 -7.169 0.644 571 2HB GLU 73 HB1 GLU 73 -11.416 -8.193 1.548 572 1HG GLU 73 HG2 GLU 73 -11.402 -9.774 -0.438 573 2HG GLU 73 HG1 GLU 73 -10.072 -8.817 -1.091 574 H GLY 74 HN GLY 74 -11.398 -5.048 -0.966 575 1HA GLY 74 HA2 GLY 74 -12.530 -2.891 -0.606 576 2HA GLY 74 HA1 GLY 74 -13.161 -3.542 0.910 577 H VAL 75 HN VAL 75 -9.934 -4.455 0.294 578 HA VAL 75 HA VAL 75 -8.990 -2.850 2.558 579 HB VAL 75 HB VAL 75 -7.323 -4.495 0.642 580 1HG1 VAL 75 HG11 VAL 75 -6.139 -5.002 2.823 581 2HG1 VAL 75 HG12 VAL 75 -7.185 -3.808 3.588 582 3HG1 VAL 75 HG13 VAL 75 -6.065 -3.313 2.319 583 1HG2 VAL 75 HG21 VAL 75 -8.228 -6.462 1.342 584 2HG2 VAL 75 HG22 VAL 75 -9.614 -5.500 1.846 585 3HG2 VAL 75 HG23 VAL 75 -8.356 -5.905 3.008 586 H VAL 76 HN VAL 76 -8.876 -0.654 1.987 587 HA VAL 76 HA VAL 76 -7.220 0.013 -0.427 588 HB VAL 76 HB VAL 76 -9.344 1.689 0.941 589 1HG1 VAL 76 HG11 VAL 76 -8.478 1.924 -1.920 590 2HG1 VAL 76 HG12 VAL 76 -7.447 2.601 -0.661 591 3HG1 VAL 76 HG13 VAL 76 -9.108 3.165 -0.838 592 1HG2 VAL 76 HG21 VAL 76 -10.853 0.274 0.031 593 2HG2 VAL 76 HG22 VAL 76 -9.594 -0.617 -0.822 594 3HG2 VAL 76 HG23 VAL 76 -10.297 0.829 -1.547 595 H VAL 77 HN VAL 77 -5.330 1.045 0.031 596 HA VAL 77 HA VAL 77 -5.107 2.721 2.492 597 HB VAL 77 HB VAL 77 -2.836 1.480 2.786 598 1HG1 VAL 77 HG11 VAL 77 -5.571 0.617 3.514 599 2HG1 VAL 77 HG12 VAL 77 -4.174 0.930 4.544 600 3HG1 VAL 77 HG13 VAL 77 -4.318 -0.609 3.696 601 1HG2 VAL 77 HG21 VAL 77 -2.726 -0.762 1.873 602 2HG2 VAL 77 HG22 VAL 77 -3.025 0.350 0.537 603 3HG2 VAL 77 HG23 VAL 77 -4.347 -0.614 1.193 604 HA PRO 78 HA PRO 78 -2.532 5.249 -0.073 605 1HB PRO 78 HB2 PRO 78 -0.513 5.963 1.645 606 2HB PRO 78 HB1 PRO 78 -2.150 6.641 1.761 607 1HG PRO 78 HG2 PRO 78 -0.911 4.420 3.308 608 2HG PRO 78 HG1 PRO 78 -1.921 5.756 3.886 609 1HD PRO 78 HD2 PRO 78 -2.915 3.283 3.514 610 2HD PRO 78 HD1 PRO 78 -3.884 4.738 3.190 611 H ALA 79 HN ALA 79 -1.970 3.332 -1.325 612 HA ALA 79 HA ALA 79 0.417 1.788 -0.581 613 1HB ALA 79 HB1 ALA 79 -1.897 1.068 -1.533 614 2HB ALA 79 HB2 ALA 79 -0.448 0.282 -2.157 615 3HB ALA 79 HB3 ALA 79 -1.226 1.562 -3.087 616 H ILE 80 HN ILE 80 2.411 2.071 -1.466 617 HA ILE 80 HA ILE 80 2.771 4.092 -3.626 618 HB ILE 80 HB ILE 80 4.722 2.643 -1.797 619 1HG1 ILE 80 HG12 ILE 80 3.710 5.486 -1.543 620 2HG1 ILE 80 HG11 ILE 80 2.913 4.135 -0.736 621 1HG2 ILE 80 HG21 ILE 80 6.234 3.534 -3.227 622 2HG2 ILE 80 HG22 ILE 80 5.787 5.095 -2.541 623 3HG2 ILE 80 HG23 ILE 80 5.013 4.528 -4.020 624 1HD1 ILE 80 HD11 ILE 80 5.348 5.531 0.007 625 2HD1 ILE 80 HD12 ILE 80 5.640 3.801 -0.172 626 3HD1 ILE 80 HD13 ILE 80 4.398 4.375 0.939 627 H VAL 81 HN VAL 81 3.069 3.304 -5.701 628 HA VAL 81 HA VAL 81 3.641 0.395 -6.026 629 HB VAL 81 HB VAL 81 2.590 2.543 -7.891 630 1HG1 VAL 81 HG11 VAL 81 3.763 0.081 -8.540 631 2HG1 VAL 81 HG12 VAL 81 2.734 1.061 -9.585 632 3HG1 VAL 81 HG13 VAL 81 2.026 -0.220 -8.601 633 1HG2 VAL 81 HG21 VAL 81 0.861 2.169 -6.374 634 2HG2 VAL 81 HG22 VAL 81 1.345 0.499 -6.079 635 3HG2 VAL 81 HG23 VAL 81 0.521 0.926 -7.578 636 H VAL 82 HN VAL 82 5.440 -0.337 -7.129 637 HA VAL 82 HA VAL 82 7.453 1.730 -7.925 638 HB VAL 82 HB VAL 82 7.798 -1.193 -7.204 639 1HG1 VAL 82 HG11 VAL 82 9.573 0.003 -8.593 640 2HG1 VAL 82 HG12 VAL 82 10.133 -0.680 -7.065 641 3HG1 VAL 82 HG13 VAL 82 9.828 1.051 -7.198 642 1HG2 VAL 82 HG21 VAL 82 7.871 1.332 -5.549 643 2HG2 VAL 82 HG22 VAL 82 8.703 -0.138 -5.041 644 3HG2 VAL 82 HG23 VAL 82 6.950 -0.141 -5.248 645 H GLY 83 HN GLY 83 8.316 1.662 -10.004 646 1HA GLY 83 HA2 GLY 83 8.692 0.915 -12.202 647 2HA GLY 83 HA1 GLY 83 8.134 -0.678 -11.697 648 H ASP 84 HN ASP 84 7.036 2.507 -12.786 649 HA ASP 84 HA ASP 84 4.553 1.189 -13.826 650 1HB ASP 84 HB2 ASP 84 4.944 3.709 -12.214 651 2HB ASP 84 HB1 ASP 84 3.547 3.547 -13.278 652 H ARG 85 HN ARG 85 5.065 1.201 -16.022 653 HA ARG 85 HA ARG 85 6.397 3.567 -17.207 654 1HB ARG 85 HB2 ARG 85 5.587 0.817 -18.167 655 2HB ARG 85 HB1 ARG 85 6.246 2.032 -19.261 656 1HG ARG 85 HG2 ARG 85 8.229 2.241 -17.734 657 2HG ARG 85 HG1 ARG 85 7.593 0.886 -16.800 658 1HD ARG 85 HD2 ARG 85 7.893 -0.641 -18.597 659 2HD ARG 85 HD1 ARG 85 8.075 0.668 -19.783 660 HE ARG 85 HE ARG 85 10.041 0.796 -17.630 661 1HH1 ARG 85 HH11 ARG 85 9.211 -0.514 -20.717 662 2HH1 ARG 85 HH12 ARG 85 10.853 -0.839 -21.161 663 1HH2 ARG 85 HH21 ARG 85 12.182 0.390 -18.207 664 2HH2 ARG 85 HH22 ARG 85 12.530 -0.333 -19.743 665 H ASP 86 HN ASP 86 5.368 3.858 -19.635 666 HA ASP 86 HA ASP 86 2.536 4.673 -19.135 667 1HB ASP 86 HB2 ASP 86 4.650 6.156 -19.875 668 2HB ASP 86 HB1 ASP 86 4.145 5.606 -21.474 669 H SER 87 HN SER 87 2.507 5.008 -22.216 670 HA SER 87 HA SER 87 1.548 3.758 -23.984 671 1HB SER 87 HB2 SER 87 3.926 3.069 -24.017 672 2HB SER 87 HB1 SER 87 3.574 1.796 -22.852 673 HG SER 87 HG SER 87 3.579 1.177 -25.142 674 H GLU 88 HN GLU 88 -0.597 3.356 -23.270 675 HA GLU 88 HA GLU 88 -1.228 1.302 -21.310 676 1HB GLU 88 HB2 GLU 88 -3.531 1.875 -21.957 677 2HB GLU 88 HB1 GLU 88 -2.576 3.345 -21.777 678 1HG GLU 88 HG2 GLU 88 -2.131 3.174 -24.300 679 2HG GLU 88 HG1 GLU 88 -3.431 1.982 -24.334 680 H ASP 89 HN ASP 89 0.345 -0.112 -22.913 681 HA ASP 89 HA ASP 89 -1.209 -1.391 -25.084 682 1HB ASP 89 HB2 ASP 89 1.609 -1.284 -24.095 683 2HB ASP 89 HB1 ASP 89 1.130 -2.706 -25.023 684 HA PRO 90 HA PRO 90 -2.382 -4.931 -22.796 685 1HB PRO 90 HB2 PRO 90 -1.828 -7.007 -24.483 686 2HB PRO 90 HB1 PRO 90 -3.159 -5.865 -24.762 687 1HG PRO 90 HG2 PRO 90 -0.461 -5.963 -26.009 688 2HG PRO 90 HG1 PRO 90 -2.025 -5.558 -26.730 689 1HD PRO 90 HD2 PRO 90 -0.163 -3.697 -26.000 690 2HD PRO 90 HD1 PRO 90 -1.909 -3.373 -26.071 691 H ASP 91 HN ASP 91 0.739 -5.519 -24.409 692 HA ASP 91 HA ASP 91 1.689 -7.465 -22.522 693 1HB ASP 91 HB2 ASP 91 2.963 -5.595 -24.529 694 2HB ASP 91 HB1 ASP 91 3.909 -6.769 -23.610 695 H GLU 92 HN GLU 92 1.623 -3.954 -22.521 696 HA GLU 92 HA GLU 92 3.173 -3.962 -19.945 697 1HB GLU 92 HB2 GLU 92 2.898 -1.899 -22.156 698 2HB GLU 92 HB1 GLU 92 3.708 -1.582 -20.623 699 1HG GLU 92 HG2 GLU 92 4.517 -3.978 -22.242 700 2HG GLU 92 HG1 GLU 92 5.115 -2.384 -22.700 701 HA PRO 93 HA PRO 93 -1.145 -2.543 -19.083 702 1HB PRO 93 HB2 PRO 93 -1.532 -4.130 -16.900 703 2HB PRO 93 HB1 PRO 93 -1.833 -4.691 -18.557 704 1HG PRO 93 HG2 PRO 93 0.473 -5.229 -16.766 705 2HG PRO 93 HG1 PRO 93 -0.317 -6.288 -17.942 706 1HD PRO 93 HD2 PRO 93 2.065 -4.976 -18.375 707 2HD PRO 93 HD1 PRO 93 0.981 -5.550 -19.660 708 H ALA 94 HN ALA 94 0.930 -0.906 -18.481 709 HA ALA 94 HA ALA 94 1.297 -0.693 -15.558 710 1HB ALA 94 HB1 ALA 94 3.098 0.601 -16.155 711 2HB ALA 94 HB2 ALA 94 2.217 1.407 -17.453 712 3HB ALA 94 HB3 ALA 94 2.867 -0.213 -17.702 713 H LYS 95 HN LYS 95 -1.439 -0.234 -16.715 714 HA LYS 95 HA LYS 95 -2.061 2.559 -16.842 715 1HB LYS 95 HB2 LYS 95 -4.356 1.737 -16.483 716 2HB LYS 95 HB1 LYS 95 -3.492 0.678 -17.598 717 1HG LYS 95 HG2 LYS 95 -2.926 -0.803 -15.645 718 2HG LYS 95 HG1 LYS 95 -3.978 0.199 -14.645 719 1HD LYS 95 HD2 LYS 95 -5.800 -0.882 -15.405 720 2HD LYS 95 HD1 LYS 95 -5.358 -0.523 -17.071 721 1HE LYS 95 HE2 LYS 95 -4.939 -2.735 -17.333 722 2HE LYS 95 HE1 LYS 95 -3.567 -2.539 -16.225 723 1HZ LYS 95 HZ1 LYS 95 -4.787 -3.200 -14.432 724 2HZ LYS 95 HZ2 LYS 95 -5.567 -4.120 -15.629 725 3HZ LYS 95 HZ3 LYS 95 -6.260 -2.668 -15.082 726 H GLU 96 HN GLU 96 -3.421 3.692 -15.133 727 HA GLU 96 HA GLU 96 -2.038 3.617 -12.555 728 1HB GLU 96 HB2 GLU 96 -4.416 5.189 -13.601 729 2HB GLU 96 HB1 GLU 96 -3.527 5.554 -12.119 730 1HG GLU 96 HG2 GLU 96 -1.475 5.919 -13.394 731 2HG GLU 96 HG1 GLU 96 -2.293 5.460 -14.888 732 H GLN 97 HN GLN 97 -4.526 1.769 -13.811 733 HA GLN 97 HA GLN 97 -6.216 1.717 -11.407 734 1HB GLN 97 HB2 GLN 97 -7.109 1.403 -13.703 735 2HB GLN 97 HB1 GLN 97 -6.137 -0.059 -13.859 736 1HG GLN 97 HG2 GLN 97 -7.355 -1.204 -12.195 737 2HG GLN 97 HG1 GLN 97 -8.064 0.284 -11.571 738 1HE2 GLN 97 HE21 GLN 97 -9.759 -1.868 -12.296 739 2HE2 GLN 97 HE22 GLN 97 -10.632 -1.443 -13.689 740 H LEU 98 HN LEU 98 -3.205 0.797 -11.521 741 HA LEU 98 HA LEU 98 -3.055 -2.001 -11.049 742 1HB LEU 98 HB2 LEU 98 -1.543 0.365 -9.877 743 2HB LEU 98 HB1 LEU 98 -1.003 -1.311 -9.768 744 HG LEU 98 HG LEU 98 -1.598 0.050 -12.395 745 1HD1 LEU 98 HD11 LEU 98 1.211 -0.470 -11.622 746 2HD1 LEU 98 HD12 LEU 98 0.424 0.840 -10.742 747 3HD1 LEU 98 HD13 LEU 98 0.520 0.894 -12.502 748 1HD2 LEU 98 HD21 LEU 98 -0.439 -2.557 -11.477 749 2HD2 LEU 98 HD22 LEU 98 0.105 -1.869 -13.007 750 3HD2 LEU 98 HD23 LEU 98 -1.601 -2.246 -12.766 751 H TYR 99 HN TYR 99 -3.747 0.770 -9.006 752 HA TYR 99 HA TYR 99 -4.986 -1.039 -7.005 753 1HB TYR 99 HB2 TYR 99 -2.552 -0.125 -6.567 754 2HB TYR 99 HB1 TYR 99 -3.385 1.385 -6.204 755 HD1 TYR 99 HD1 TYR 99 -1.781 -0.145 -4.157 756 HD2 TYR 99 HD2 TYR 99 -5.933 -0.387 -5.250 757 HE1 TYR 99 HE1 TYR 99 -2.332 -0.991 -1.895 758 HE2 TYR 99 HE2 TYR 99 -6.478 -1.238 -2.983 759 HH TYR 99 HH TYR 99 -5.700 -1.637 -0.937 760 H HIS 100 HN HIS 100 -5.064 1.876 -5.595 761 HA HIS 100 HA HIS 100 -7.668 2.556 -6.874 762 1HB HIS 100 HB2 HIS 100 -7.637 4.171 -4.767 763 2HB HIS 100 HB1 HIS 100 -7.998 2.459 -4.570 764 HD2 HIS 100 HD2 HIS 100 -5.138 5.000 -3.669 765 HE1 HIS 100 HE1 HIS 100 -4.060 1.227 -2.094 766 HE2 HIS 100 HE2 HIS 100 -3.466 3.665 -2.213 767 H SER 101 HN SER 101 -7.921 5.209 -6.444 768 HA SER 101 HA SER 101 -6.040 6.355 -8.403 769 1HB SER 101 HB2 SER 101 -7.695 8.066 -8.550 770 2HB SER 101 HB1 SER 101 -8.607 6.584 -8.270 771 HG SER 101 HG SER 101 -9.387 7.913 -6.760 772 H ALA 102 HN ALA 102 -5.684 5.826 -5.226 773 HA ALA 102 HA ALA 102 -4.509 8.526 -4.668 774 1HB ALA 102 HB1 ALA 102 -6.452 7.380 -3.297 775 2HB ALA 102 HB2 ALA 102 -5.164 8.240 -2.451 776 3HB ALA 102 HB3 ALA 102 -5.125 6.481 -2.562 777 H GLU 103 HN GLU 103 -3.789 5.102 -4.934 778 HA GLU 103 HA GLU 103 -1.461 4.861 -3.364 779 1HB GLU 103 HB2 GLU 103 -0.776 3.254 -5.273 780 2HB GLU 103 HB1 GLU 103 -2.308 2.934 -4.461 781 1HG GLU 103 HG2 GLU 103 -3.551 3.497 -6.298 782 2HG GLU 103 HG1 GLU 103 -2.439 4.777 -6.783 783 H LEU 104 HN LEU 104 0.588 5.706 -3.516 784 HA LEU 104 HA LEU 104 1.154 7.704 -5.598 785 1HB LEU 104 HB2 LEU 104 2.072 6.924 -2.947 786 2HB LEU 104 HB1 LEU 104 3.436 7.195 -4.030 787 HG LEU 104 HG LEU 104 2.522 9.409 -4.629 788 1HD1 LEU 104 HD11 LEU 104 0.230 9.410 -4.406 789 2HD1 LEU 104 HD12 LEU 104 0.646 10.110 -2.841 790 3HD1 LEU 104 HD13 LEU 104 0.265 8.393 -2.967 791 1HD2 LEU 104 HD21 LEU 104 4.013 9.739 -2.901 792 2HD2 LEU 104 HD22 LEU 104 3.161 8.638 -1.818 793 3HD2 LEU 104 HD23 LEU 104 2.544 10.269 -2.080 794 H HIS 105 HN HIS 105 3.076 7.526 -6.979 795 HA HIS 105 HA HIS 105 3.780 4.675 -7.591 796 1HB HIS 105 HB2 HIS 105 3.726 7.166 -9.322 797 2HB HIS 105 HB1 HIS 105 4.181 5.558 -9.881 798 HD1 HIS 105 HD1 HIS 105 1.759 6.947 -11.150 799 HD2 HIS 105 HD2 HIS 105 1.474 4.390 -7.870 800 HE1 HIS 105 HE1 HIS 105 -0.620 6.080 -11.124 801 H LEU 106 HN LEU 106 5.973 4.158 -7.770 802 HA LEU 106 HA LEU 106 7.938 6.386 -7.420 803 1HB LEU 106 HB2 LEU 106 7.422 5.318 -5.245 804 2HB LEU 106 HB1 LEU 106 7.847 3.744 -5.918 805 HG LEU 106 HG LEU 106 10.142 4.531 -6.340 806 1HD1 LEU 106 HD11 LEU 106 10.047 6.820 -6.741 807 2HD1 LEU 106 HD12 LEU 106 10.632 6.805 -5.079 808 3HD1 LEU 106 HD13 LEU 106 8.928 7.113 -5.410 809 1HD2 LEU 106 HD21 LEU 106 8.893 4.272 -3.738 810 2HD2 LEU 106 HD22 LEU 106 10.271 5.368 -3.647 811 3HD2 LEU 106 HD23 LEU 106 10.485 3.732 -4.258 812 H GLY 107 HN GLY 107 9.746 6.138 -8.705 813 1HA GLY 107 HA2 GLY 107 9.718 4.140 -10.781 814 2HA GLY 107 HA1 GLY 107 11.032 5.275 -10.471 815 H ILE 108 HN ILE 108 11.098 2.327 -11.046 816 HA ILE 108 HA ILE 108 11.747 0.797 -8.761 817 HB ILE 108 HB ILE 108 12.657 0.824 -11.653 818 1HG1 ILE 108 HG12 ILE 108 10.791 -1.113 -10.276 819 2HG1 ILE 108 HG11 ILE 108 10.200 0.407 -10.947 820 1HG2 ILE 108 HG21 ILE 108 12.958 -1.744 -10.733 821 2HG2 ILE 108 HG22 ILE 108 13.537 -0.778 -9.375 822 3HG2 ILE 108 HG23 ILE 108 14.266 -0.584 -10.969 823 1HD1 ILE 108 HD11 ILE 108 11.558 -1.860 -12.426 824 2HD1 ILE 108 HD12 ILE 108 11.313 -0.265 -13.137 825 3HD1 ILE 108 HD13 ILE 108 9.924 -1.244 -12.666 826 H HIS 109 HN HIS 109 13.666 3.031 -10.729 827 HA HIS 109 HA HIS 109 16.141 2.529 -9.217 828 1HB HIS 109 HB2 HIS 109 15.225 4.247 -11.512 829 2HB HIS 109 HB1 HIS 109 16.747 4.634 -10.708 830 HD1 HIS 109 HD1 HIS 109 15.185 1.296 -11.715 831 HD2 HIS 109 HD2 HIS 109 18.733 3.430 -12.192 832 HE1 HIS 109 HE1 HIS 109 16.750 -0.202 -13.027 833 H GLN 110 HN GLN 110 13.354 4.064 -8.424 834 HA GLN 110 HA GLN 110 14.714 6.362 -7.080 835 1HB GLN 110 HB2 GLN 110 11.817 5.779 -7.756 836 2HB GLN 110 HB1 GLN 110 12.375 7.232 -6.929 837 1HG GLN 110 HG2 GLN 110 13.889 7.650 -8.927 838 2HG GLN 110 HG1 GLN 110 13.015 6.358 -9.753 839 1HE2 GLN 110 HE21 GLN 110 11.802 7.619 -11.266 840 2HE2 GLN 110 HE22 GLN 110 10.680 8.803 -10.798 841 H LEU 111 HN LEU 111 14.558 3.441 -6.112 842 HA LEU 111 HA LEU 111 12.648 3.410 -3.942 843 1HB LEU 111 HB2 LEU 111 15.086 1.836 -4.762 844 2HB LEU 111 HB1 LEU 111 14.316 1.517 -3.215 845 HG LEU 111 HG LEU 111 13.580 0.448 -5.711 846 1HD1 LEU 111 HD11 LEU 111 12.738 -0.984 -4.209 847 2HD1 LEU 111 HD12 LEU 111 11.427 0.149 -3.885 848 3HD1 LEU 111 HD13 LEU 111 12.908 0.219 -2.932 849 1HD2 LEU 111 HD21 LEU 111 12.376 2.684 -6.060 850 2HD2 LEU 111 HD22 LEU 111 11.338 2.219 -4.716 851 3HD2 LEU 111 HD23 LEU 111 11.371 1.242 -6.180 852 H GLU 112 HN GLU 112 12.840 5.168 -2.678 853 HA GLU 112 HA GLU 112 14.663 5.278 -0.510 854 1HB GLU 112 HB2 GLU 112 16.050 7.221 -1.315 855 2HB GLU 112 HB1 GLU 112 16.330 5.756 -2.257 856 1HG GLU 112 HG2 GLU 112 14.533 6.598 -3.855 857 2HG GLU 112 HG1 GLU 112 14.628 8.137 -2.999 858 H GLN 113 HN GLN 113 12.545 6.870 -2.780 859 HA GLN 113 HA GLN 113 11.877 9.151 -1.060 860 1HB GLN 113 HB2 GLN 113 10.863 7.965 -3.655 861 2HB GLN 113 HB1 GLN 113 10.172 9.425 -2.949 862 1HG GLN 113 HG2 GLN 113 12.252 10.598 -3.115 863 2HG GLN 113 HG1 GLN 113 13.133 9.118 -3.488 864 1HE2 GLN 113 HE21 GLN 113 13.709 9.125 -5.662 865 2HE2 GLN 113 HE22 GLN 113 12.724 9.672 -6.931 866 H LEU 114 HN LEU 114 11.119 5.912 -0.913 867 HA LEU 114 HA LEU 114 8.373 5.626 -0.609 868 1HB LEU 114 HB2 LEU 114 10.774 4.466 0.755 869 2HB LEU 114 HB1 LEU 114 9.159 3.935 1.215 870 HG LEU 114 HG LEU 114 9.193 3.991 -1.606 871 1HD1 LEU 114 HD11 LEU 114 11.754 3.048 -0.373 872 2HD1 LEU 114 HD12 LEU 114 11.491 3.897 -1.896 873 3HD1 LEU 114 HD13 LEU 114 11.112 2.178 -1.767 874 1HD2 LEU 114 HD21 LEU 114 9.368 1.732 0.410 875 2HD2 LEU 114 HD22 LEU 114 9.009 1.500 -1.301 876 3HD2 LEU 114 HD23 LEU 114 7.900 2.420 -0.287 877 HA PRO 115 HA PRO 115 8.614 7.074 3.952 878 1HB PRO 115 HB2 PRO 115 10.573 8.912 4.544 879 2HB PRO 115 HB1 PRO 115 10.750 7.167 4.826 880 1HG PRO 115 HG2 PRO 115 11.759 8.828 2.560 881 2HG PRO 115 HG1 PRO 115 12.564 7.520 3.443 882 1HD PRO 115 HD2 PRO 115 11.469 7.133 1.018 883 2HD PRO 115 HD1 PRO 115 11.471 5.861 2.261 884 H TYR 116 HN TYR 116 10.180 9.654 2.006 885 HA TYR 116 HA TYR 116 8.295 11.689 2.645 886 1HB TYR 116 HB2 TYR 116 9.880 12.786 1.454 887 2HB TYR 116 HB1 TYR 116 10.588 11.241 1.001 888 HD1 TYR 116 HD1 TYR 116 7.576 13.300 0.090 889 HD2 TYR 116 HD2 TYR 116 10.832 10.854 -1.262 890 HE1 TYR 116 HE1 TYR 116 6.865 13.651 -2.258 891 HE2 TYR 116 HE2 TYR 116 10.125 11.206 -3.614 892 HH TYR 116 HH TYR 116 7.211 13.126 -4.378 893 H GLN 117 HN GLN 117 8.235 9.040 0.345 894 HA GLN 117 HA GLN 117 5.883 9.936 -1.120 895 1HB GLN 117 HB2 GLN 117 7.395 7.334 -0.806 896 2HB GLN 117 HB1 GLN 117 5.983 7.483 -1.855 897 1HG GLN 117 HG2 GLN 117 8.253 9.442 -2.102 898 2HG GLN 117 HG1 GLN 117 8.358 7.863 -2.882 899 1HE2 GLN 117 HE21 GLN 117 8.155 10.402 -4.318 900 2HE2 GLN 117 HE22 GLN 117 6.696 10.367 -5.183 901 H VAL 118 HN VAL 118 6.538 7.748 1.579 902 HA VAL 118 HA VAL 118 3.926 6.696 1.967 903 HB VAL 118 HB VAL 118 6.404 7.213 3.574 904 1HG1 VAL 118 HG11 VAL 118 3.689 6.679 4.724 905 2HG1 VAL 118 HG12 VAL 118 5.013 7.646 5.377 906 3HG1 VAL 118 HG13 VAL 118 5.088 5.886 5.447 907 1HG2 VAL 118 HG21 VAL 118 6.375 4.787 3.781 908 2HG2 VAL 118 HG22 VAL 118 6.117 5.223 2.092 909 3HG2 VAL 118 HG23 VAL 118 4.757 4.717 3.090 910 H ASP 119 HN ASP 119 5.491 9.631 3.314 911 HA ASP 119 HA ASP 119 3.223 10.584 4.792 912 1HB ASP 119 HB2 ASP 119 5.563 11.961 3.414 913 2HB ASP 119 HB1 ASP 119 4.467 12.782 4.524 914 H ALA 120 HN ALA 120 4.438 11.423 1.528 915 HA ALA 120 HA ALA 120 2.291 13.121 0.747 916 1HB ALA 120 HB1 ALA 120 3.131 12.534 -1.546 917 2HB ALA 120 HB2 ALA 120 4.092 11.243 -0.826 918 3HB ALA 120 HB3 ALA 120 4.440 12.926 -0.431 919 H ALA 121 HN ALA 121 2.744 9.597 0.472 920 HA ALA 121 HA ALA 121 0.336 9.041 -0.977 921 1HB ALA 121 HB1 ALA 121 2.337 7.607 0.713 922 2HB ALA 121 HB2 ALA 121 1.826 7.272 -0.941 923 3HB ALA 121 HB3 ALA 121 0.807 6.782 0.413 924 H LEU 122 HN LEU 122 1.066 9.043 2.532 925 HA LEU 122 HA LEU 122 -1.469 8.252 3.505 926 1HB LEU 122 HB2 LEU 122 0.709 10.110 4.490 927 2HB LEU 122 HB1 LEU 122 -0.714 9.767 5.474 928 HG LEU 122 HG LEU 122 0.705 7.422 4.302 929 1HD1 LEU 122 HD11 LEU 122 2.543 8.902 5.122 930 2HD1 LEU 122 HD12 LEU 122 2.391 7.426 6.074 931 3HD1 LEU 122 HD13 LEU 122 1.762 8.949 6.701 932 1HD2 LEU 122 HD21 LEU 122 -1.353 7.795 6.071 933 2HD2 LEU 122 HD22 LEU 122 0.014 7.594 7.167 934 3HD2 LEU 122 HD23 LEU 122 -0.368 6.335 5.994 935 H ALA 123 HN ALA 123 -0.250 11.567 2.914 936 HA ALA 123 HA ALA 123 -2.728 12.888 3.472 937 1HB ALA 123 HB1 ALA 123 -0.113 13.459 2.190 938 2HB ALA 123 HB2 ALA 123 -0.992 14.387 3.405 939 3HB ALA 123 HB3 ALA 123 -1.439 14.515 1.704 940 H GLU 124 HN GLU 124 -1.270 11.754 0.412 941 HA GLU 124 HA GLU 124 -3.339 12.640 -1.331 942 1HB GLU 124 HB2 GLU 124 -1.014 11.771 -1.867 943 2HB GLU 124 HB1 GLU 124 -1.641 10.146 -1.587 944 1HG GLU 124 HG2 GLU 124 -1.833 10.515 -3.941 945 2HG GLU 124 HG1 GLU 124 -3.462 10.697 -3.288 946 H PHE 125 HN PHE 125 -3.006 9.631 0.581 947 HA PHE 125 HA PHE 125 -5.381 8.401 -0.574 948 1HB PHE 125 HB2 PHE 125 -3.554 7.091 0.398 949 2HB PHE 125 HB1 PHE 125 -3.809 7.861 1.966 950 HD1 PHE 125 HD1 PHE 125 -5.091 6.677 3.521 951 HD2 PHE 125 HD2 PHE 125 -5.845 6.124 -0.673 952 HE1 PHE 125 HE1 PHE 125 -6.855 5.017 4.057 953 HE2 PHE 125 HE2 PHE 125 -7.606 4.462 -0.136 954 HZ PHE 125 HZ PHE 125 -8.112 3.909 2.227 955 H LEU 126 HN LEU 126 -4.713 10.178 2.469 956 HA LEU 126 HA LEU 126 -7.302 9.841 3.633 957 1HB LEU 126 HB2 LEU 126 -5.204 12.021 3.832 958 2HB LEU 126 HB1 LEU 126 -6.585 11.890 4.918 959 HG LEU 126 HG LEU 126 -4.506 9.722 4.507 960 1HD1 LEU 126 HD11 LEU 126 -3.403 11.446 5.693 961 2HD1 LEU 126 HD12 LEU 126 -4.017 10.390 6.965 962 3HD1 LEU 126 HD13 LEU 126 -4.863 11.888 6.579 963 1HD2 LEU 126 HD21 LEU 126 -5.630 8.855 6.632 964 2HD2 LEU 126 HD22 LEU 126 -6.589 8.732 5.157 965 3HD2 LEU 126 HD23 LEU 126 -6.915 10.020 6.317 966 H ARG 127 HN ARG 127 -5.985 12.654 1.838 967 HA ARG 127 HA ARG 127 -8.404 14.146 1.696 968 1HB ARG 127 HB2 ARG 127 -5.764 13.998 0.383 969 2HB ARG 127 HB1 ARG 127 -7.021 14.755 -0.595 970 1HG ARG 127 HG2 ARG 127 -7.535 15.996 1.717 971 2HG ARG 127 HG1 ARG 127 -5.824 15.655 1.983 972 1HD ARG 127 HD2 ARG 127 -5.735 16.556 -0.586 973 2HD ARG 127 HD1 ARG 127 -7.089 17.512 0.050 974 HE ARG 127 HE ARG 127 -4.860 17.422 1.910 975 1HH1 ARG 127 HH11 ARG 127 -6.218 18.920 -0.891 976 2HH1 ARG 127 HH12 ARG 127 -5.291 20.371 -0.723 977 1HH2 ARG 127 HH21 ARG 127 -3.654 19.321 2.143 978 2HH2 ARG 127 HH22 ARG 127 -3.843 20.599 0.991 979 H LEU 128 HN LEU 128 -7.272 11.383 -0.107 980 HA LEU 128 HA LEU 128 -9.426 11.673 -2.136 981 1HB LEU 128 HB2 LEU 128 -6.865 11.155 -2.447 982 2HB LEU 128 HB1 LEU 128 -7.350 9.511 -2.045 983 HG LEU 128 HG LEU 128 -9.177 9.798 -3.837 984 1HD1 LEU 128 HD11 LEU 128 -9.306 11.760 -4.934 985 2HD1 LEU 128 HD12 LEU 128 -7.606 11.650 -5.392 986 3HD1 LEU 128 HD13 LEU 128 -8.061 12.405 -3.864 987 1HD2 LEU 128 HD21 LEU 128 -7.630 8.359 -4.680 988 2HD2 LEU 128 HD22 LEU 128 -6.278 9.341 -4.118 989 3HD2 LEU 128 HD23 LEU 128 -7.090 9.744 -5.630 990 H ALA 129 HN ALA 129 -8.787 10.035 0.815 991 HA ALA 129 HA ALA 129 -10.368 7.645 0.251 992 1HB ALA 129 HB1 ALA 129 -10.198 7.512 2.822 993 2HB ALA 129 HB2 ALA 129 -9.228 8.982 2.716 994 3HB ALA 129 HB3 ALA 129 -8.677 7.502 1.930 995 HA PRO 130 HA PRO 130 -11.749 6.358 0.955 996 1HB PRO 130 HB2 PRO 130 -14.126 5.583 -0.150 997 2HB PRO 130 HB1 PRO 130 -13.858 5.676 1.602 998 1HG PRO 130 HG2 PRO 130 -15.271 7.570 -0.198 999 2HG PRO 130 HG1 PRO 130 -15.646 7.099 1.466 1000 1HD PRO 130 HD2 PRO 130 -14.419 9.451 0.763 1001 2HD PRO 130 HD1 PRO 130 -14.267 8.675 2.354 1002 H VAL 131 HN VAL 131 -10.460 6.076 -0.844 1003 HA VAL 131 HA VAL 131 -11.014 7.440 -3.382 1004 HB VAL 131 HB VAL 131 -8.910 6.344 -4.041 1005 1HG1 VAL 131 HG11 VAL 131 -9.145 7.638 -1.350 1006 2HG1 VAL 131 HG12 VAL 131 -8.368 8.228 -2.815 1007 3HG1 VAL 131 HG13 VAL 131 -7.579 6.990 -1.843 1008 1HG2 VAL 131 HG21 VAL 131 -9.582 4.178 -2.821 1009 2HG2 VAL 131 HG22 VAL 131 -8.941 4.943 -1.367 1010 3HG2 VAL 131 HG23 VAL 131 -7.882 4.641 -2.744 1011 H GLU 132 HN GLU 132 -11.350 6.235 -5.424 1012 HA GLU 132 HA GLU 132 -13.236 4.019 -5.110 1013 1HB GLU 132 HB2 GLU 132 -13.446 5.880 -6.754 1014 2HB GLU 132 HB1 GLU 132 -11.994 5.299 -7.569 1015 1HG GLU 132 HG2 GLU 132 -13.073 3.189 -8.106 1016 2HG GLU 132 HG1 GLU 132 -14.495 3.632 -7.161 1017 H THR 133 HN THR 133 -12.608 1.912 -4.990 1018 HA THR 133 HA THR 133 -9.967 1.133 -6.171 1019 HB THR 133 HB THR 133 -10.603 -0.899 -4.520 1020 HG1 THR 133 HG1 THR 133 -12.622 0.241 -4.058 1021 1HG2 THR 133 HG21 THR 133 -8.620 0.665 -4.455 1022 2HG2 THR 133 HG22 THR 133 -9.194 0.140 -2.872 1023 3HG2 THR 133 HG23 THR 133 -9.596 1.752 -3.466 1024 H MET 134 HN MET 134 -11.312 1.039 -8.280 1025 HA MET 134 HA MET 134 -13.371 -0.952 -8.613 1026 1HB MET 134 HB2 MET 134 -11.474 0.485 -10.493 1027 2HB MET 134 HB1 MET 134 -12.839 -0.493 -11.038 1028 1HG MET 134 HG2 MET 134 -13.476 1.510 -8.955 1029 2HG MET 134 HG1 MET 134 -13.013 2.177 -10.519 1030 1HE MET 134 HE1 MET 134 -14.959 2.986 -11.861 1031 2HE MET 134 HE2 MET 134 -15.798 1.742 -12.785 1032 3HE MET 134 HE3 MET 134 -14.039 1.721 -12.688 1033 H ALA 135 HN ALA 135 -10.026 -1.270 -8.124 1034 HA ALA 135 HA ALA 135 -8.648 -3.196 -8.167 1035 1HB ALA 135 HB1 ALA 135 -11.370 -4.079 -8.156 1036 2HB ALA 135 HB2 ALA 135 -9.946 -4.949 -7.588 1037 3HB ALA 135 HB3 ALA 135 -10.467 -5.110 -9.265 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -0.721 12.961 18.158 2 2H MET 1 HT2 MET 1 -0.866 12.425 16.551 3 3H MET 1 HT3 MET 1 -0.221 13.961 16.883 4 HA MET 1 HA MET 1 1.733 12.861 16.567 5 1HB MET 1 HB2 MET 1 0.874 12.278 19.421 6 2HB MET 1 HB1 MET 1 2.539 12.189 18.849 7 1HG MET 1 HG2 MET 1 2.397 14.582 18.166 8 2HG MET 1 HG1 MET 1 0.776 14.653 18.859 9 1HE MET 1 HE1 MET 1 1.244 12.915 21.927 10 2HE MET 1 HE2 MET 1 0.166 13.818 20.863 11 3HE MET 1 HE3 MET 1 0.819 14.588 22.308 12 H LEU 2 HN LEU 2 1.481 11.085 15.128 13 HA LEU 2 HA LEU 2 0.290 8.570 15.891 14 1HB LEU 2 HB2 LEU 2 0.482 9.249 13.579 15 2HB LEU 2 HB1 LEU 2 2.232 9.433 13.725 16 HG LEU 2 HG LEU 2 2.183 6.914 14.429 17 1HD1 LEU 2 HD11 LEU 2 -0.383 7.109 12.834 18 2HD1 LEU 2 HD12 LEU 2 -0.318 6.886 14.581 19 3HD1 LEU 2 HD13 LEU 2 0.334 5.646 13.511 20 1HD2 LEU 2 HD21 LEU 2 1.685 6.601 11.698 21 2HD2 LEU 2 HD22 LEU 2 3.248 6.958 12.437 22 3HD2 LEU 2 HD23 LEU 2 2.229 8.271 11.849 23 H SER 3 HN SER 3 1.248 6.808 16.903 24 HA SER 3 HA SER 3 3.836 7.146 18.189 25 1HB SER 3 HB2 SER 3 1.856 4.880 17.871 26 2HB SER 3 HB1 SER 3 3.341 4.712 18.804 27 HG SER 3 HG SER 3 1.412 5.388 19.994 28 H GLN 4 HN GLN 4 2.581 4.966 15.676 29 HA GLN 4 HA GLN 4 5.178 5.028 14.298 30 1HB GLN 4 HB2 GLN 4 3.996 2.543 15.566 31 2HB GLN 4 HB1 GLN 4 5.339 2.521 14.420 32 1HG GLN 4 HG2 GLN 4 6.431 4.265 16.011 33 2HG GLN 4 HG1 GLN 4 5.258 3.694 17.195 34 1HE2 GLN 4 HE21 GLN 4 8.381 3.287 16.582 35 2HE2 GLN 4 HE22 GLN 4 8.577 1.630 16.900 36 H ILE 5 HN ILE 5 5.037 4.122 12.172 37 HA ILE 5 HA ILE 5 2.294 4.222 11.051 38 HB ILE 5 HB ILE 5 5.099 4.259 9.895 39 1HG1 ILE 5 HG12 ILE 5 3.009 6.401 10.360 40 2HG1 ILE 5 HG11 ILE 5 4.549 6.244 11.202 41 1HG2 ILE 5 HG21 ILE 5 2.758 5.186 8.320 42 2HG2 ILE 5 HG22 ILE 5 2.923 3.442 8.531 43 3HG2 ILE 5 HG23 ILE 5 4.222 4.359 7.787 44 1HD1 ILE 5 HD11 ILE 5 5.787 6.889 9.325 45 2HD1 ILE 5 HD12 ILE 5 4.359 7.919 9.206 46 3HD1 ILE 5 HD13 ILE 5 4.489 6.470 8.208 47 H ALA 6 HN ALA 6 1.340 2.425 10.102 48 HA ALA 6 HA ALA 6 2.822 -0.141 10.323 49 1HB ALA 6 HB1 ALA 6 0.810 -0.377 11.412 50 2HB ALA 6 HB2 ALA 6 0.278 -0.810 9.788 51 3HB ALA 6 HB3 ALA 6 0.005 0.822 10.402 52 H ILE 7 HN ILE 7 3.922 -0.484 8.443 53 HA ILE 7 HA ILE 7 2.512 0.044 5.853 54 HB ILE 7 HB ILE 7 5.458 -0.065 6.577 55 1HG1 ILE 7 HG12 ILE 7 3.526 2.180 5.965 56 2HG1 ILE 7 HG11 ILE 7 4.460 1.937 7.440 57 1HG2 ILE 7 HG21 ILE 7 6.003 0.253 4.354 58 2HG2 ILE 7 HG22 ILE 7 4.464 1.026 3.979 59 3HG2 ILE 7 HG23 ILE 7 4.553 -0.730 4.149 60 1HD1 ILE 7 HD11 ILE 7 5.777 2.351 4.752 61 2HD1 ILE 7 HD12 ILE 7 6.511 2.465 6.349 62 3HD1 ILE 7 HD13 ILE 7 5.361 3.690 5.816 63 H CYS 8 HN CYS 8 2.382 -1.635 4.373 64 HA CYS 8 HA CYS 8 3.587 -4.252 5.214 65 1HB CYS 8 HB2 CYS 8 1.055 -3.901 5.452 66 2HB CYS 8 HB1 CYS 8 1.004 -3.838 3.687 67 HG CYS 8 HG CYS 8 2.258 -6.335 5.075 68 H ILE 9 HN ILE 9 5.231 -4.646 3.724 69 HA ILE 9 HA ILE 9 4.795 -3.659 0.944 70 HB ILE 9 HB ILE 9 6.815 -2.933 2.144 71 1HG1 ILE 9 HG12 ILE 9 7.603 -5.014 0.092 72 2HG1 ILE 9 HG11 ILE 9 6.867 -3.476 -0.351 73 1HG2 ILE 9 HG21 ILE 9 6.794 -5.657 3.035 74 2HG2 ILE 9 HG22 ILE 9 7.858 -4.347 3.550 75 3HG2 ILE 9 HG23 ILE 9 8.308 -5.362 2.180 76 1HD1 ILE 9 HD11 ILE 9 8.949 -2.596 -0.313 77 2HD1 ILE 9 HD12 ILE 9 9.609 -4.039 0.462 78 3HD1 ILE 9 HD13 ILE 9 8.882 -2.764 1.441 79 H TRP 10 HN TRP 10 4.996 -5.043 -0.813 80 HA TRP 10 HA TRP 10 5.129 -7.975 -0.171 81 1HB TRP 10 HB2 TRP 10 2.859 -7.469 -0.767 82 2HB TRP 10 HB1 TRP 10 3.377 -6.431 -2.105 83 HD1 TRP 10 HD1 TRP 10 5.108 -9.753 -1.477 84 HE1 TRP 10 HE1 TRP 10 4.667 -11.328 -3.472 85 HE3 TRP 10 HE3 TRP 10 1.595 -7.012 -3.955 86 HZ2 TRP 10 HZ2 TRP 10 2.990 -11.411 -5.803 87 HZ3 TRP 10 HZ3 TRP 10 0.583 -7.862 -6.052 88 HH2 TRP 10 HH2 TRP 10 1.278 -10.053 -6.978 89 H VAL 11 HN VAL 11 7.317 -8.194 -0.747 90 HA VAL 11 HA VAL 11 7.931 -7.734 -3.637 91 HB VAL 11 HB VAL 11 8.777 -5.846 -2.429 92 1HG1 VAL 11 HG11 VAL 11 10.257 -6.208 -0.419 93 2HG1 VAL 11 HG12 VAL 11 9.801 -7.910 -0.467 94 3HG1 VAL 11 HG13 VAL 11 8.574 -6.676 -0.181 95 1HG2 VAL 11 HG21 VAL 11 11.012 -7.870 -2.765 96 2HG2 VAL 11 HG22 VAL 11 11.227 -6.124 -2.633 97 3HG2 VAL 11 HG23 VAL 11 10.383 -6.807 -4.024 98 H GLU 12 HN GLU 12 9.182 -9.386 -4.538 99 HA GLU 12 HA GLU 12 9.701 -11.745 -2.805 100 1HB GLU 12 HB2 GLU 12 9.250 -11.154 -5.694 101 2HB GLU 12 HB1 GLU 12 10.158 -12.616 -5.290 102 1HG GLU 12 HG2 GLU 12 8.341 -13.506 -4.032 103 2HG GLU 12 HG1 GLU 12 7.518 -11.945 -3.970 104 H SER 13 HN SER 13 11.444 -9.141 -4.167 105 HA SER 13 HA SER 13 13.997 -10.691 -4.269 106 1HB SER 13 HB2 SER 13 13.067 -8.971 -6.027 107 2HB SER 13 HB1 SER 13 13.617 -7.762 -4.872 108 HG SER 13 HG SER 13 15.584 -8.146 -5.483 109 H THR 14 HN THR 14 15.022 -10.765 -2.249 110 HA THR 14 HA THR 14 14.352 -9.133 -0.055 111 HB THR 14 HB THR 14 17.121 -10.229 -0.581 112 HG1 THR 14 HG1 THR 14 14.668 -11.523 -0.221 113 1HG2 THR 14 HG21 THR 14 17.113 -9.233 1.518 114 2HG2 THR 14 HG22 THR 14 16.605 -10.869 1.928 115 3HG2 THR 14 HG23 THR 14 15.409 -9.581 1.789 116 H ALA 15 HN ALA 15 16.700 -8.558 -2.674 117 HA ALA 15 HA ALA 15 17.998 -6.246 -1.621 118 1HB ALA 15 HB1 ALA 15 18.573 -7.550 -3.702 119 2HB ALA 15 HB2 ALA 15 18.518 -5.808 -3.972 120 3HB ALA 15 HB3 ALA 15 17.174 -6.823 -4.491 121 H ILE 16 HN ILE 16 15.061 -6.522 -3.636 122 HA ILE 16 HA ILE 16 14.407 -3.724 -3.657 123 HB ILE 16 HB ILE 16 12.846 -6.307 -3.945 124 1HG1 ILE 16 HG12 ILE 16 13.661 -4.264 -6.033 125 2HG1 ILE 16 HG11 ILE 16 14.642 -5.674 -5.632 126 1HG2 ILE 16 HG21 ILE 16 11.537 -4.150 -3.221 127 2HG2 ILE 16 HG22 ILE 16 10.928 -5.124 -4.558 128 3HG2 ILE 16 HG23 ILE 16 11.824 -3.643 -4.885 129 1HD1 ILE 16 HD11 ILE 16 12.287 -5.515 -7.309 130 2HD1 ILE 16 HD12 ILE 16 12.038 -6.668 -5.999 131 3HD1 ILE 16 HD13 ILE 16 13.409 -6.858 -7.092 132 H LEU 17 HN LEU 17 13.358 -6.452 -1.616 133 HA LEU 17 HA LEU 17 11.608 -5.041 0.136 134 1HB LEU 17 HB2 LEU 17 11.579 -7.396 0.213 135 2HB LEU 17 HB1 LEU 17 13.333 -7.510 0.232 136 HG LEU 17 HG LEU 17 11.940 -7.991 2.418 137 1HD1 LEU 17 HD11 LEU 17 14.245 -6.153 2.879 138 2HD1 LEU 17 HD12 LEU 17 14.521 -7.611 1.935 139 3HD1 LEU 17 HD13 LEU 17 13.908 -7.732 3.581 140 1HD2 LEU 17 HD21 LEU 17 11.034 -6.239 3.512 141 2HD2 LEU 17 HD22 LEU 17 11.214 -5.328 2.016 142 3HD2 LEU 17 HD23 LEU 17 12.463 -5.243 3.259 143 H GLN 18 HN GLN 18 15.110 -5.724 0.348 144 HA GLN 18 HA GLN 18 15.562 -4.298 2.801 145 1HB GLN 18 HB2 GLN 18 17.261 -5.091 0.417 146 2HB GLN 18 HB1 GLN 18 17.951 -4.321 1.846 147 1HG GLN 18 HG2 GLN 18 17.157 -6.148 3.261 148 2HG GLN 18 HG1 GLN 18 16.348 -6.901 1.882 149 1HE2 GLN 18 HE21 GLN 18 19.349 -6.683 3.580 150 2HE2 GLN 18 HE22 GLN 18 20.294 -7.547 2.462 151 H ASP 19 HN ASP 19 15.977 -3.343 -0.627 152 HA ASP 19 HA ASP 19 16.815 -0.656 -0.116 153 1HB ASP 19 HB2 ASP 19 15.380 -2.025 -2.414 154 2HB ASP 19 HB1 ASP 19 15.961 -0.363 -2.504 155 H CYS 20 HN CYS 20 13.568 -2.070 -0.670 156 HA CYS 20 HA CYS 20 12.145 0.424 -0.539 157 1HB CYS 20 HB2 CYS 20 11.354 -2.465 -0.074 158 2HB CYS 20 HB1 CYS 20 10.194 -1.139 -0.133 159 HG CYS 20 HG CYS 20 11.964 -1.157 -2.608 160 H GLN 21 HN GLN 21 12.785 -2.089 1.983 161 HA GLN 21 HA GLN 21 11.418 -0.543 4.033 162 1HB GLN 21 HB2 GLN 21 13.396 -2.845 4.098 163 2HB GLN 21 HB1 GLN 21 12.561 -2.221 5.521 164 1HG GLN 21 HG2 GLN 21 10.386 -2.579 4.181 165 2HG GLN 21 HG1 GLN 21 11.367 -3.578 3.109 166 1HE2 GLN 21 HE21 GLN 21 13.123 -4.507 5.356 167 2HE2 GLN 21 HE22 GLN 21 12.190 -5.617 6.237 168 H ARG 22 HN ARG 22 14.698 -0.682 2.740 169 HA ARG 22 HA ARG 22 16.126 0.533 4.859 170 1HB ARG 22 HB2 ARG 22 16.314 0.273 1.912 171 2HB ARG 22 HB1 ARG 22 17.262 1.584 2.621 172 1HG ARG 22 HG2 ARG 22 18.646 0.154 3.763 173 2HG ARG 22 HG1 ARG 22 17.368 -1.030 4.028 174 1HD ARG 22 HD2 ARG 22 17.903 -2.181 2.143 175 2HD ARG 22 HD1 ARG 22 18.107 -0.699 1.194 176 HE ARG 22 HE ARG 22 20.398 -0.702 1.768 177 1HH1 ARG 22 HH11 ARG 22 18.554 -2.773 3.832 178 2HH1 ARG 22 HH12 ARG 22 19.946 -3.476 4.578 179 1HH2 ARG 22 HH21 ARG 22 22.214 -1.622 2.718 180 2HH2 ARG 22 HH22 ARG 22 22.021 -2.826 3.950 181 H ALA 23 HN ALA 23 14.509 2.143 2.081 182 HA ALA 23 HA ALA 23 14.889 4.825 2.994 183 1HB ALA 23 HB1 ALA 23 13.996 3.761 0.764 184 2HB ALA 23 HB2 ALA 23 13.360 5.327 1.273 185 3HB ALA 23 HB3 ALA 23 12.421 3.857 1.557 186 H LEU 24 HN LEU 24 12.110 2.604 3.401 187 HA LEU 24 HA LEU 24 10.798 4.365 5.344 188 1HB LEU 24 HB2 LEU 24 10.315 1.526 4.371 189 2HB LEU 24 HB1 LEU 24 9.177 2.469 5.340 190 HG LEU 24 HG LEU 24 10.220 3.271 2.604 191 1HD1 LEU 24 HD11 LEU 24 8.618 1.907 1.818 192 2HD1 LEU 24 HD12 LEU 24 7.434 2.963 2.584 193 3HD1 LEU 24 HD13 LEU 24 8.045 1.550 3.446 194 1HD2 LEU 24 HD21 LEU 24 9.704 5.234 3.881 195 2HD2 LEU 24 HD22 LEU 24 8.239 4.497 4.533 196 3HD2 LEU 24 HD23 LEU 24 8.318 4.943 2.831 197 H SER 25 HN SER 25 13.071 4.151 6.542 198 HA SER 25 HA SER 25 13.077 1.766 8.348 199 1HB SER 25 HB2 SER 25 15.107 3.736 7.319 200 2HB SER 25 HB1 SER 25 15.435 2.848 8.803 201 HG SER 25 HG SER 25 15.560 2.019 6.244 202 H ALA 26 HN ALA 26 12.139 4.986 8.205 203 HA ALA 26 HA ALA 26 12.809 6.385 10.433 204 1HB ALA 26 HB1 ALA 26 9.892 5.941 9.974 205 2HB ALA 26 HB2 ALA 26 10.858 6.513 8.612 206 3HB ALA 26 HB3 ALA 26 10.788 7.456 10.102 207 H ASP 27 HN ASP 27 12.769 6.088 12.609 208 HA ASP 27 HA ASP 27 12.376 3.706 13.950 209 1HB ASP 27 HB2 ASP 27 13.242 6.063 14.673 210 2HB ASP 27 HB1 ASP 27 11.571 6.352 15.151 211 H ARG 28 HN ARG 28 9.873 5.839 12.737 212 HA ARG 28 HA ARG 28 7.822 4.434 14.375 213 1HB ARG 28 HB2 ARG 28 6.364 6.246 13.584 214 2HB ARG 28 HB1 ARG 28 7.858 6.914 14.242 215 1HG ARG 28 HG2 ARG 28 8.774 7.192 12.014 216 2HG ARG 28 HG1 ARG 28 7.387 6.365 11.303 217 1HD ARG 28 HD2 ARG 28 5.910 8.147 11.808 218 2HD ARG 28 HD1 ARG 28 7.042 8.857 12.980 219 HE ARG 28 HE ARG 28 8.125 8.618 10.264 220 1HH1 ARG 28 HH11 ARG 28 6.409 10.545 12.567 221 2HH1 ARG 28 HH12 ARG 28 6.779 12.041 11.782 222 1HH2 ARG 28 HH21 ARG 28 8.613 10.568 9.236 223 2HH2 ARG 28 HH22 ARG 28 8.025 12.056 9.900 224 H TYR 29 HN TYR 29 9.214 3.100 12.055 225 HA TYR 29 HA TYR 29 6.831 2.797 10.266 226 1HB TYR 29 HB2 TYR 29 9.782 2.697 9.848 227 2HB TYR 29 HB1 TYR 29 8.787 1.626 8.858 228 HD1 TYR 29 HD1 TYR 29 10.429 4.365 8.322 229 HD2 TYR 29 HD2 TYR 29 6.299 3.267 8.599 230 HE1 TYR 29 HE1 TYR 29 9.826 6.301 6.914 231 HE2 TYR 29 HE2 TYR 29 5.688 5.203 7.190 232 HH TYR 29 HH TYR 29 7.350 7.747 6.744 233 H GLN 30 HN GLN 30 5.809 0.900 10.243 234 HA GLN 30 HA GLN 30 7.115 -1.471 11.556 235 1HB GLN 30 HB2 GLN 30 5.177 -0.296 12.746 236 2HB GLN 30 HB1 GLN 30 4.165 -0.780 11.391 237 1HG GLN 30 HG2 GLN 30 4.800 -3.162 11.824 238 2HG GLN 30 HG1 GLN 30 5.665 -2.625 13.266 239 1HE2 GLN 30 HE21 GLN 30 3.374 -0.443 13.466 240 2HE2 GLN 30 HE22 GLN 30 2.125 -1.296 14.231 241 H LEU 31 HN LEU 31 7.875 -1.725 9.233 242 HA LEU 31 HA LEU 31 5.963 -2.223 7.128 243 1HB LEU 31 HB2 LEU 31 8.836 -3.111 7.329 244 2HB LEU 31 HB1 LEU 31 7.923 -2.721 5.872 245 HG LEU 31 HG LEU 31 7.675 -0.447 7.487 246 1HD1 LEU 31 HD11 LEU 31 9.560 -0.166 8.685 247 2HD1 LEU 31 HD12 LEU 31 10.573 -0.635 7.317 248 3HD1 LEU 31 HD13 LEU 31 9.906 -1.868 8.384 249 1HD2 LEU 31 HD21 LEU 31 8.155 0.406 5.459 250 2HD2 LEU 31 HD22 LEU 31 8.582 -1.211 4.905 251 3HD2 LEU 31 HD23 LEU 31 9.818 -0.159 5.592 252 H GLN 32 HN GLN 32 4.862 -4.131 6.739 253 HA GLN 32 HA GLN 32 5.803 -6.569 8.193 254 1HB GLN 32 HB2 GLN 32 3.414 -5.632 8.411 255 2HB GLN 32 HB1 GLN 32 3.178 -6.139 6.737 256 1HG GLN 32 HG2 GLN 32 2.401 -7.926 8.195 257 2HG GLN 32 HG1 GLN 32 3.877 -8.456 7.392 258 1HE2 GLN 32 HE21 GLN 32 5.736 -8.873 8.708 259 2HE2 GLN 32 HE22 GLN 32 5.715 -8.754 10.403 260 H VAL 33 HN VAL 33 7.164 -7.738 6.883 261 HA VAL 33 HA VAL 33 7.086 -7.476 3.973 262 HB VAL 33 HB VAL 33 8.643 -9.310 5.815 263 1HG1 VAL 33 HG11 VAL 33 8.443 -9.150 2.967 264 2HG1 VAL 33 HG12 VAL 33 9.508 -10.175 3.931 265 3HG1 VAL 33 HG13 VAL 33 10.040 -8.568 3.438 266 1HG2 VAL 33 HG21 VAL 33 9.624 -6.752 4.561 267 2HG2 VAL 33 HG22 VAL 33 10.289 -7.628 5.938 268 3HG2 VAL 33 HG23 VAL 33 8.780 -6.731 6.106 269 H CYS 34 HN CYS 34 5.909 -8.733 2.630 270 HA CYS 34 HA CYS 34 4.898 -11.350 3.679 271 1HB CYS 34 HB2 CYS 34 3.812 -9.580 1.466 272 2HB CYS 34 HB1 CYS 34 3.024 -10.998 2.162 273 HG CYS 34 HG CYS 34 2.677 -8.304 3.266 274 H GLU 35 HN GLU 35 6.023 -13.026 2.821 275 HA GLU 35 HA GLU 35 7.869 -12.849 0.670 276 1HB GLU 35 HB2 GLU 35 6.385 -15.077 2.060 277 2HB GLU 35 HB1 GLU 35 7.542 -15.419 0.773 278 1HG GLU 35 HG2 GLU 35 9.206 -13.978 2.067 279 2HG GLU 35 HG1 GLU 35 8.064 -14.031 3.410 280 H SER 36 HN SER 36 4.420 -13.631 0.696 281 HA SER 36 HA SER 36 4.529 -13.803 -2.301 282 1HB SER 36 HB2 SER 36 2.264 -14.999 -0.806 283 2HB SER 36 HB1 SER 36 3.176 -15.649 -2.165 284 HG SER 36 HG SER 36 4.417 -16.655 -0.796 285 H GLY 37 HN GLY 37 1.876 -13.507 -2.898 286 1HA GLY 37 HA2 GLY 37 1.322 -10.752 -1.907 287 2HA GLY 37 HA1 GLY 37 0.627 -11.470 -3.370 288 H GLU 38 HN GLU 38 0.139 -14.007 -2.067 289 HA GLU 38 HA GLU 38 -2.524 -13.636 -1.094 290 1HB GLU 38 HB2 GLU 38 -0.438 -15.763 -1.351 291 2HB GLU 38 HB1 GLU 38 -1.809 -16.102 -0.309 292 1HG GLU 38 HG2 GLU 38 -3.254 -15.273 -2.306 293 2HG GLU 38 HG1 GLU 38 -1.787 -15.512 -3.261 294 H MET 39 HN MET 39 0.642 -14.150 0.394 295 HA MET 39 HA MET 39 -0.199 -14.287 3.113 296 1HB MET 39 HB2 MET 39 2.332 -13.376 1.709 297 2HB MET 39 HB1 MET 39 2.226 -13.535 3.460 298 1HG MET 39 HG2 MET 39 1.435 -15.941 3.040 299 2HG MET 39 HG1 MET 39 1.968 -15.710 1.376 300 1HE MET 39 HE1 MET 39 3.345 -17.989 2.238 301 2HE MET 39 HE2 MET 39 2.847 -17.682 3.899 302 3HE MET 39 HE3 MET 39 4.551 -17.929 3.529 303 H LEU 40 HN LEU 40 0.616 -11.617 0.947 304 HA LEU 40 HA LEU 40 0.547 -9.459 2.818 305 1HB LEU 40 HB2 LEU 40 1.439 -8.867 0.768 306 2HB LEU 40 HB1 LEU 40 0.351 -9.927 -0.122 307 HG LEU 40 HG LEU 40 -1.472 -8.328 0.110 308 1HD1 LEU 40 HD11 LEU 40 -0.654 -7.520 2.408 309 2HD1 LEU 40 HD12 LEU 40 -1.307 -6.290 1.327 310 3HD1 LEU 40 HD13 LEU 40 0.435 -6.458 1.519 311 1HD2 LEU 40 HD21 LEU 40 -0.696 -6.810 -1.466 312 2HD2 LEU 40 HD22 LEU 40 0.576 -8.027 -1.558 313 3HD2 LEU 40 HD23 LEU 40 0.829 -6.557 -0.620 314 H LEU 41 HN LEU 41 -1.999 -10.830 0.715 315 HA LEU 41 HA LEU 41 -4.130 -9.137 1.425 316 1HB LEU 41 HB2 LEU 41 -3.976 -12.091 0.764 317 2HB LEU 41 HB1 LEU 41 -5.488 -11.178 0.791 318 HG LEU 41 HG LEU 41 -3.089 -10.384 -0.874 319 1HD1 LEU 41 HD11 LEU 41 -5.344 -12.270 -1.400 320 2HD1 LEU 41 HD12 LEU 41 -3.695 -12.285 -2.031 321 3HD1 LEU 41 HD13 LEU 41 -4.886 -11.174 -2.706 322 1HD2 LEU 41 HD21 LEU 41 -4.962 -8.743 -0.099 323 2HD2 LEU 41 HD22 LEU 41 -5.966 -9.598 -1.261 324 3HD2 LEU 41 HD23 LEU 41 -4.510 -8.761 -1.801 325 H GLU 42 HN GLU 42 -2.926 -12.053 3.069 326 HA GLU 42 HA GLU 42 -4.970 -12.265 5.045 327 1HB GLU 42 HB2 GLU 42 -2.963 -13.792 4.392 328 2HB GLU 42 HB1 GLU 42 -2.045 -12.811 5.541 329 1HG GLU 42 HG2 GLU 42 -3.725 -13.331 7.299 330 2HG GLU 42 HG1 GLU 42 -4.578 -14.362 6.152 331 H TYR 43 HN TYR 43 -1.850 -10.493 5.122 332 HA TYR 43 HA TYR 43 -2.150 -9.412 7.744 333 1HB TYR 43 HB2 TYR 43 -0.040 -9.277 6.615 334 2HB TYR 43 HB1 TYR 43 -0.758 -8.466 5.223 335 HD1 TYR 43 HD1 TYR 43 0.399 -8.081 8.686 336 HD2 TYR 43 HD2 TYR 43 -1.431 -6.102 5.341 337 HE1 TYR 43 HE1 TYR 43 0.814 -5.889 9.758 338 HE2 TYR 43 HE2 TYR 43 -1.013 -3.901 6.413 339 HH TYR 43 HH TYR 43 -0.424 -3.452 9.512 340 H ALA 44 HN ALA 44 -3.151 -8.152 4.567 341 HA ALA 44 HA ALA 44 -4.392 -5.768 5.692 342 1HB ALA 44 HB1 ALA 44 -5.354 -6.215 3.108 343 2HB ALA 44 HB2 ALA 44 -3.764 -6.984 3.115 344 3HB ALA 44 HB3 ALA 44 -3.921 -5.276 3.536 345 H GLN 45 HN GLN 45 -5.360 -9.054 5.337 346 HA GLN 45 HA GLN 45 -8.231 -8.598 5.045 347 1HB GLN 45 HB2 GLN 45 -6.340 -10.862 5.540 348 2HB GLN 45 HB1 GLN 45 -8.042 -11.114 5.930 349 1HG GLN 45 HG2 GLN 45 -8.722 -10.639 3.709 350 2HG GLN 45 HG1 GLN 45 -7.136 -9.996 3.287 351 1HE2 GLN 45 HE21 GLN 45 -7.325 -11.725 1.479 352 2HE2 GLN 45 HE22 GLN 45 -6.822 -13.298 1.858 353 H THR 46 HN THR 46 -6.017 -8.330 7.628 354 HA THR 46 HA THR 46 -8.282 -8.471 9.594 355 HB THR 46 HB THR 46 -6.880 -9.658 11.076 356 HG1 THR 46 HG1 THR 46 -4.516 -9.773 10.135 357 1HG2 THR 46 HG21 THR 46 -5.806 -10.598 8.404 358 2HG2 THR 46 HG22 THR 46 -7.470 -10.898 8.906 359 3HG2 THR 46 HG23 THR 46 -6.134 -11.566 9.842 360 H HIS 47 HN HIS 47 -6.205 -6.499 8.010 361 HA HIS 47 HA HIS 47 -6.456 -4.354 10.003 362 1HB HIS 47 HB2 HIS 47 -3.842 -5.621 9.132 363 2HB HIS 47 HB1 HIS 47 -3.913 -3.998 9.825 364 HD1 HIS 47 HD1 HIS 47 -5.468 -3.992 12.182 365 HD2 HIS 47 HD2 HIS 47 -3.519 -7.516 11.109 366 HE1 HIS 47 HE1 HIS 47 -5.372 -5.420 14.273 367 H ARG 48 HN ARG 48 -7.766 -3.511 8.180 368 HA ARG 48 HA ARG 48 -6.320 -2.976 5.639 369 1HB ARG 48 HB2 ARG 48 -9.093 -2.013 6.183 370 2HB ARG 48 HB1 ARG 48 -8.441 -2.783 4.736 371 1HG ARG 48 HG2 ARG 48 -8.247 -4.903 6.246 372 2HG ARG 48 HG1 ARG 48 -9.386 -4.059 7.295 373 1HD ARG 48 HD2 ARG 48 -10.513 -3.730 4.780 374 2HD ARG 48 HD1 ARG 48 -9.889 -5.388 4.729 375 HE ARG 48 HE ARG 48 -11.963 -4.379 6.564 376 1HH1 ARG 48 HH11 ARG 48 -9.628 -6.833 5.823 377 2HH1 ARG 48 HH12 ARG 48 -10.428 -8.045 6.766 378 1HH2 ARG 48 HH21 ARG 48 -12.996 -5.958 7.788 379 2HH2 ARG 48 HH22 ARG 48 -12.326 -7.552 7.874 380 H ASP 49 HN ASP 49 -8.338 -1.102 7.880 381 HA ASP 49 HA ASP 49 -7.355 1.459 6.899 382 1HB ASP 49 HB2 ASP 49 -9.164 0.412 9.056 383 2HB ASP 49 HB1 ASP 49 -8.697 2.116 9.073 384 H GLN 50 HN GLN 50 -6.601 -0.664 9.611 385 HA GLN 50 HA GLN 50 -5.060 1.128 11.207 386 1HB GLN 50 HB2 GLN 50 -4.818 -1.859 10.717 387 2HB GLN 50 HB1 GLN 50 -4.106 -0.997 12.081 388 1HG GLN 50 HG2 GLN 50 -7.066 -1.186 11.443 389 2HG GLN 50 HG1 GLN 50 -6.229 -2.010 12.759 390 1HE2 GLN 50 HE21 GLN 50 -8.357 0.307 12.617 391 2HE2 GLN 50 HE22 GLN 50 -7.727 1.463 13.686 392 H ILE 51 HN ILE 51 -4.339 -0.467 8.180 393 HA ILE 51 HA ILE 51 -1.462 -0.339 8.318 394 HB ILE 51 HB ILE 51 -3.230 -0.133 5.871 395 1HG1 ILE 51 HG12 ILE 51 -4.204 -1.936 7.016 396 2HG1 ILE 51 HG11 ILE 51 -3.028 -2.707 5.953 397 1HG2 ILE 51 HG21 ILE 51 -0.530 -1.431 6.371 398 2HG2 ILE 51 HG22 ILE 51 -0.803 0.079 5.499 399 3HG2 ILE 51 HG23 ILE 51 -1.400 -1.443 4.834 400 1HD1 ILE 51 HD11 ILE 51 -2.936 -2.334 8.926 401 2HD1 ILE 51 HD12 ILE 51 -1.419 -2.403 8.027 402 3HD1 ILE 51 HD13 ILE 51 -2.543 -3.760 7.965 403 H ASP 52 HN ASP 52 -0.077 1.344 7.659 404 HA ASP 52 HA ASP 52 -1.396 3.987 7.211 405 1HB ASP 52 HB2 ASP 52 1.208 3.035 8.376 406 2HB ASP 52 HB1 ASP 52 0.944 4.732 7.985 407 H CYS 53 HN CYS 53 0.482 1.565 5.631 408 HA CYS 53 HA CYS 53 0.524 3.026 3.172 409 1HB CYS 53 HB2 CYS 53 2.518 3.674 5.102 410 2HB CYS 53 HB1 CYS 53 3.317 2.853 3.760 411 HG CYS 53 HG CYS 53 1.871 4.674 2.230 412 H LEU 54 HN LEU 54 0.205 1.202 1.860 413 HA LEU 54 HA LEU 54 1.764 -1.264 2.504 414 1HB LEU 54 HB2 LEU 54 -0.734 -1.179 2.033 415 2HB LEU 54 HB1 LEU 54 -0.327 -0.788 0.362 416 HG LEU 54 HG LEU 54 0.843 -3.199 1.754 417 1HD1 LEU 54 HD11 LEU 54 -1.180 -4.067 0.008 418 2HD1 LEU 54 HD12 LEU 54 -1.914 -2.760 0.938 419 3HD1 LEU 54 HD13 LEU 54 -1.207 -4.145 1.772 420 1HD2 LEU 54 HD21 LEU 54 0.454 -3.675 -0.961 421 2HD2 LEU 54 HD22 LEU 54 1.972 -3.195 -0.204 422 3HD2 LEU 54 HD23 LEU 54 0.909 -1.973 -0.901 423 H ILE 55 HN ILE 55 3.417 -2.001 1.122 424 HA ILE 55 HA ILE 55 4.103 -0.151 -1.121 425 HB ILE 55 HB ILE 55 5.734 -2.259 0.306 426 1HG1 ILE 55 HG12 ILE 55 5.924 0.752 0.536 427 2HG1 ILE 55 HG11 ILE 55 5.007 -0.239 1.676 428 1HG2 ILE 55 HG21 ILE 55 6.085 -0.932 -2.166 429 2HG2 ILE 55 HG22 ILE 55 7.270 -1.914 -1.306 430 3HG2 ILE 55 HG23 ILE 55 7.204 -0.173 -1.033 431 1HD1 ILE 55 HD11 ILE 55 7.581 -1.437 1.282 432 2HD1 ILE 55 HD12 ILE 55 6.895 -0.778 2.766 433 3HD1 ILE 55 HD13 ILE 55 7.803 0.265 1.673 434 H LEU 56 HN LEU 56 4.307 -0.933 -3.208 435 HA LEU 56 HA LEU 56 3.889 -3.856 -3.643 436 1HB LEU 56 HB2 LEU 56 2.304 -1.508 -4.678 437 2HB LEU 56 HB1 LEU 56 2.236 -3.098 -5.434 438 HG LEU 56 HG LEU 56 1.626 -2.502 -2.536 439 1HD1 LEU 56 HD11 LEU 56 -0.340 -3.538 -4.551 440 2HD1 LEU 56 HD12 LEU 56 0.008 -1.813 -4.486 441 3HD1 LEU 56 HD13 LEU 56 -0.637 -2.636 -3.069 442 1HD2 LEU 56 HD21 LEU 56 2.473 -4.714 -2.607 443 2HD2 LEU 56 HD22 LEU 56 1.718 -5.042 -4.167 444 3HD2 LEU 56 HD23 LEU 56 0.725 -4.921 -2.713 445 H VAL 57 HN VAL 57 4.647 -4.595 -5.658 446 HA VAL 57 HA VAL 57 6.436 -2.674 -7.108 447 HB VAL 57 HB VAL 57 6.661 -5.669 -6.670 448 1HG1 VAL 57 HG11 VAL 57 9.137 -4.872 -7.327 449 2HG1 VAL 57 HG12 VAL 57 8.222 -3.646 -8.202 450 3HG1 VAL 57 HG13 VAL 57 7.958 -5.358 -8.544 451 1HG2 VAL 57 HG21 VAL 57 8.702 -3.957 -5.468 452 2HG2 VAL 57 HG22 VAL 57 7.748 -5.241 -4.729 453 3HG2 VAL 57 HG23 VAL 57 7.093 -3.607 -4.837 454 H ALA 58 HN ALA 58 5.666 -2.286 -9.185 455 HA ALA 58 HA ALA 58 3.537 -3.875 -10.356 456 1HB ALA 58 HB1 ALA 58 4.092 -1.386 -10.661 457 2HB ALA 58 HB2 ALA 58 3.681 -2.276 -12.127 458 3HB ALA 58 HB3 ALA 58 5.368 -1.915 -11.757 459 H ALA 59 HN ALA 59 6.990 -4.085 -10.373 460 HA ALA 59 HA ALA 59 7.496 -5.328 -12.873 461 1HB ALA 59 HB1 ALA 59 8.863 -4.662 -10.543 462 2HB ALA 59 HB2 ALA 59 9.567 -5.448 -11.953 463 3HB ALA 59 HB3 ALA 59 8.993 -6.419 -10.601 464 H ASN 60 HN ASN 60 5.596 -6.454 -10.235 465 HA ASN 60 HA ASN 60 6.020 -9.321 -10.768 466 1HB ASN 60 HB2 ASN 60 4.510 -7.566 -8.892 467 2HB ASN 60 HB1 ASN 60 3.878 -9.199 -9.137 468 1HD2 ASN 60 HD21 ASN 60 5.927 -10.879 -9.205 469 2HD2 ASN 60 HD22 ASN 60 6.985 -10.704 -7.889 470 HA PRO 61 HA PRO 61 2.946 -9.508 -13.906 471 1HB PRO 61 HB2 PRO 61 2.446 -12.197 -13.856 472 2HB PRO 61 HB1 PRO 61 3.916 -11.491 -14.558 473 1HG PRO 61 HG2 PRO 61 3.523 -12.823 -11.937 474 2HG PRO 61 HG1 PRO 61 4.919 -12.851 -13.023 475 1HD PRO 61 HD2 PRO 61 4.755 -11.325 -10.737 476 2HD PRO 61 HD1 PRO 61 5.820 -10.964 -12.116 477 H SER 62 HN SER 62 2.000 -11.824 -11.329 478 HA SER 62 HA SER 62 -0.820 -11.224 -11.652 479 1HB SER 62 HB2 SER 62 0.676 -12.600 -9.398 480 2HB SER 62 HB1 SER 62 -1.048 -12.731 -9.733 481 HG SER 62 HG SER 62 -0.600 -14.165 -11.191 482 H PHE 63 HN PHE 63 1.583 -9.358 -10.311 483 HA PHE 63 HA PHE 63 0.798 -8.461 -7.815 484 1HB PHE 63 HB2 PHE 63 2.693 -7.488 -8.765 485 2HB PHE 63 HB1 PHE 63 1.881 -7.162 -10.293 486 HD1 PHE 63 HD1 PHE 63 1.276 -6.301 -6.668 487 HD2 PHE 63 HD2 PHE 63 1.550 -4.935 -10.721 488 HE1 PHE 63 HE1 PHE 63 0.730 -4.006 -5.941 489 HE2 PHE 63 HE2 PHE 63 1.006 -2.643 -9.996 490 HZ PHE 63 HZ PHE 63 0.590 -2.167 -7.599 491 H ARG 64 HN ARG 64 -0.527 -7.218 -10.911 492 HA ARG 64 HA ARG 64 -2.473 -5.491 -9.791 493 1HB ARG 64 HB2 ARG 64 -2.089 -7.018 -12.339 494 2HB ARG 64 HB1 ARG 64 -3.657 -6.260 -12.065 495 1HG ARG 64 HG2 ARG 64 -2.497 -4.518 -13.103 496 2HG ARG 64 HG1 ARG 64 -2.202 -4.167 -11.401 497 1HD ARG 64 HD2 ARG 64 0.016 -4.310 -11.778 498 2HD ARG 64 HD1 ARG 64 -0.185 -6.003 -12.254 499 HE ARG 64 HE ARG 64 -0.124 -3.686 -14.090 500 1HH1 ARG 64 HH11 ARG 64 -0.732 -7.072 -13.591 501 2HH1 ARG 64 HH12 ARG 64 -0.677 -7.445 -15.277 502 1HH2 ARG 64 HH21 ARG 64 -0.053 -4.188 -16.266 503 2HH2 ARG 64 HH22 ARG 64 -0.292 -5.822 -16.786 504 H ALA 65 HN ALA 65 -2.552 -8.966 -10.482 505 HA ALA 65 HA ALA 65 -5.280 -9.504 -9.821 506 1HB ALA 65 HB1 ALA 65 -3.037 -10.859 -10.686 507 2HB ALA 65 HB2 ALA 65 -4.546 -11.642 -10.219 508 3HB ALA 65 HB3 ALA 65 -3.232 -11.491 -9.052 509 H VAL 66 HN VAL 66 -2.324 -9.507 -7.837 510 HA VAL 66 HA VAL 66 -3.603 -10.210 -5.360 511 HB VAL 66 HB VAL 66 -1.034 -8.790 -6.126 512 1HG1 VAL 66 HG11 VAL 66 -0.804 -10.002 -3.583 513 2HG1 VAL 66 HG12 VAL 66 -2.275 -9.035 -3.546 514 3HG1 VAL 66 HG13 VAL 66 -0.737 -8.283 -3.966 515 1HG2 VAL 66 HG21 VAL 66 -1.931 -11.547 -6.052 516 2HG2 VAL 66 HG22 VAL 66 -0.564 -11.313 -4.965 517 3HG2 VAL 66 HG23 VAL 66 -0.417 -10.888 -6.670 518 H VAL 67 HN VAL 67 -2.795 -7.085 -6.900 519 HA VAL 67 HA VAL 67 -3.586 -5.419 -4.702 520 HB VAL 67 HB VAL 67 -3.663 -4.878 -7.685 521 1HG1 VAL 67 HG11 VAL 67 -4.044 -3.268 -5.234 522 2HG1 VAL 67 HG12 VAL 67 -4.579 -2.945 -6.876 523 3HG1 VAL 67 HG13 VAL 67 -2.923 -2.565 -6.402 524 1HG2 VAL 67 HG21 VAL 67 -1.363 -3.776 -6.489 525 2HG2 VAL 67 HG22 VAL 67 -1.422 -5.150 -7.594 526 3HG2 VAL 67 HG23 VAL 67 -1.479 -5.415 -5.852 527 H GLN 68 HN GLN 68 -5.400 -6.777 -7.473 528 HA GLN 68 HA GLN 68 -7.823 -5.334 -6.995 529 1HB GLN 68 HB2 GLN 68 -8.600 -6.667 -8.706 530 2HB GLN 68 HB1 GLN 68 -6.884 -7.017 -8.893 531 1HG GLN 68 HG2 GLN 68 -7.290 -8.947 -7.228 532 2HG GLN 68 HG1 GLN 68 -9.001 -8.687 -7.538 533 1HE2 GLN 68 HE21 GLN 68 -8.595 -7.929 -10.394 534 2HE2 GLN 68 HE22 GLN 68 -8.197 -9.368 -11.205 535 H GLN 69 HN GLN 69 -6.501 -8.339 -5.607 536 HA GLN 69 HA GLN 69 -8.816 -9.197 -4.176 537 1HB GLN 69 HB2 GLN 69 -6.445 -10.252 -4.534 538 2HB GLN 69 HB1 GLN 69 -6.016 -9.355 -3.078 539 1HG GLN 69 HG2 GLN 69 -6.768 -11.640 -2.510 540 2HG GLN 69 HG1 GLN 69 -7.876 -10.430 -1.859 541 1HE2 GLN 69 HE21 GLN 69 -10.034 -10.901 -2.269 542 2HE2 GLN 69 HE22 GLN 69 -10.607 -11.787 -3.598 543 H LEU 70 HN LEU 70 -6.117 -7.064 -3.124 544 HA LEU 70 HA LEU 70 -7.045 -6.429 -0.544 545 1HB LEU 70 HB2 LEU 70 -5.489 -5.055 -2.705 546 2HB LEU 70 HB1 LEU 70 -6.015 -4.074 -1.337 547 HG LEU 70 HG LEU 70 -4.930 -6.618 -0.447 548 1HD1 LEU 70 HD11 LEU 70 -2.519 -5.739 -1.040 549 2HD1 LEU 70 HD12 LEU 70 -3.351 -4.947 -2.378 550 3HD1 LEU 70 HD13 LEU 70 -3.415 -6.702 -2.215 551 1HD2 LEU 70 HD21 LEU 70 -3.408 -4.243 0.235 552 2HD2 LEU 70 HD22 LEU 70 -4.398 -5.264 1.279 553 3HD2 LEU 70 HD23 LEU 70 -5.139 -3.934 0.389 554 H CYS 71 HN CYS 71 -7.711 -4.595 -3.556 555 HA CYS 71 HA CYS 71 -9.756 -2.936 -2.454 556 1HB CYS 71 HB2 CYS 71 -9.330 -3.968 -5.279 557 2HB CYS 71 HB1 CYS 71 -10.314 -2.574 -4.840 558 HG CYS 71 HG CYS 71 -7.951 -1.612 -3.784 559 H PHE 72 HN PHE 72 -9.881 -6.160 -3.979 560 HA PHE 72 HA PHE 72 -12.715 -6.367 -4.215 561 1HB PHE 72 HB2 PHE 72 -11.066 -7.885 -5.258 562 2HB PHE 72 HB1 PHE 72 -10.616 -8.489 -3.662 563 HD1 PHE 72 HD1 PHE 72 -12.600 -9.353 -2.171 564 HD2 PHE 72 HD2 PHE 72 -12.762 -8.980 -6.441 565 HE1 PHE 72 HE1 PHE 72 -14.493 -10.959 -2.240 566 HE2 PHE 72 HE2 PHE 72 -14.654 -10.579 -6.513 567 HZ PHE 72 HZ PHE 72 -15.520 -11.570 -4.414 568 H GLU 73 HN GLU 73 -10.512 -7.215 -1.562 569 HA GLU 73 HA GLU 73 -12.637 -8.143 0.209 570 1HB GLU 73 HB2 GLU 73 -9.750 -7.325 0.678 571 2HB GLU 73 HB1 GLU 73 -10.740 -8.261 1.797 572 1HG GLU 73 HG2 GLU 73 -10.084 -9.122 -1.034 573 2HG GLU 73 HG1 GLU 73 -9.231 -9.690 0.404 574 H GLY 74 HN GLY 74 -11.693 -5.096 -0.843 575 1HA GLY 74 HA2 GLY 74 -12.637 -3.024 -0.155 576 2HA GLY 74 HA1 GLY 74 -13.167 -3.786 1.345 577 H VAL 75 HN VAL 75 -9.881 -4.405 0.496 578 HA VAL 75 HA VAL 75 -9.002 -2.737 2.782 579 HB VAL 75 HB VAL 75 -7.534 -4.668 0.950 580 1HG1 VAL 75 HG11 VAL 75 -5.702 -4.474 2.344 581 2HG1 VAL 75 HG12 VAL 75 -6.680 -4.030 3.741 582 3HG1 VAL 75 HG13 VAL 75 -6.343 -2.837 2.484 583 1HG2 VAL 75 HG21 VAL 75 -8.168 -6.391 2.327 584 2HG2 VAL 75 HG22 VAL 75 -9.556 -5.342 2.622 585 3HG2 VAL 75 HG23 VAL 75 -8.210 -5.364 3.761 586 H VAL 76 HN VAL 76 -8.929 -0.579 2.041 587 HA VAL 76 HA VAL 76 -7.178 -0.068 -0.346 588 HB VAL 76 HB VAL 76 -9.291 1.780 0.791 589 1HG1 VAL 76 HG11 VAL 76 -8.976 3.024 -1.115 590 2HG1 VAL 76 HG12 VAL 76 -8.667 1.606 -2.115 591 3HG1 VAL 76 HG13 VAL 76 -7.388 2.259 -1.090 592 1HG2 VAL 76 HG21 VAL 76 -9.609 -0.737 -0.707 593 2HG2 VAL 76 HG22 VAL 76 -10.424 0.638 -1.446 594 3HG2 VAL 76 HG23 VAL 76 -10.802 0.178 0.213 595 H VAL 77 HN VAL 77 -5.216 0.549 0.422 596 HA VAL 77 HA VAL 77 -5.131 2.397 2.789 597 HB VAL 77 HB VAL 77 -2.858 1.181 3.107 598 1HG1 VAL 77 HG11 VAL 77 -4.136 -0.862 4.086 599 2HG1 VAL 77 HG12 VAL 77 -5.584 -0.013 3.548 600 3HG1 VAL 77 HG13 VAL 77 -4.504 0.742 4.722 601 1HG2 VAL 77 HG21 VAL 77 -3.300 0.132 0.701 602 2HG2 VAL 77 HG22 VAL 77 -4.172 -1.079 1.639 603 3HG2 VAL 77 HG23 VAL 77 -2.464 -0.792 1.943 604 HA PRO 78 HA PRO 78 -2.572 5.104 0.462 605 1HB PRO 78 HB2 PRO 78 -0.533 5.612 2.257 606 2HB PRO 78 HB1 PRO 78 -2.156 6.318 2.413 607 1HG PRO 78 HG2 PRO 78 -1.023 3.892 3.755 608 2HG PRO 78 HG1 PRO 78 -1.957 5.228 4.460 609 1HD PRO 78 HD2 PRO 78 -3.129 2.911 3.885 610 2HD PRO 78 HD1 PRO 78 -3.969 4.452 3.574 611 H ALA 79 HN ALA 79 -1.847 3.620 -1.151 612 HA ALA 79 HA ALA 79 0.509 1.936 -0.456 613 1HB ALA 79 HB1 ALA 79 -1.966 1.705 -1.977 614 2HB ALA 79 HB2 ALA 79 -0.922 0.435 -1.336 615 3HB ALA 79 HB3 ALA 79 -0.568 1.158 -2.906 616 H ILE 80 HN ILE 80 2.364 1.970 -1.687 617 HA ILE 80 HA ILE 80 2.613 4.140 -3.749 618 HB ILE 80 HB ILE 80 4.738 2.750 -2.067 619 1HG1 ILE 80 HG12 ILE 80 3.762 5.550 -1.578 620 2HG1 ILE 80 HG11 ILE 80 2.855 4.197 -0.906 621 1HG2 ILE 80 HG21 ILE 80 5.699 5.220 -2.716 622 2HG2 ILE 80 HG22 ILE 80 4.732 4.864 -4.148 623 3HG2 ILE 80 HG23 ILE 80 6.026 3.768 -3.662 624 1HD1 ILE 80 HD11 ILE 80 5.430 3.509 -0.251 625 2HD1 ILE 80 HD12 ILE 80 4.324 4.358 0.827 626 3HD1 ILE 80 HD13 ILE 80 5.493 5.267 -0.128 627 H VAL 81 HN VAL 81 3.065 3.387 -5.857 628 HA VAL 81 HA VAL 81 3.633 0.459 -6.117 629 HB VAL 81 HB VAL 81 2.495 2.494 -8.062 630 1HG1 VAL 81 HG11 VAL 81 2.839 -0.516 -8.225 631 2HG1 VAL 81 HG12 VAL 81 3.660 0.686 -9.220 632 3HG1 VAL 81 HG13 VAL 81 1.922 0.447 -9.381 633 1HG2 VAL 81 HG21 VAL 81 1.330 0.808 -5.952 634 2HG2 VAL 81 HG22 VAL 81 0.577 0.562 -7.528 635 3HG2 VAL 81 HG23 VAL 81 0.620 2.174 -6.814 636 H VAL 82 HN VAL 82 5.439 -0.223 -7.268 637 HA VAL 82 HA VAL 82 7.328 1.923 -8.169 638 HB VAL 82 HB VAL 82 8.005 -0.900 -7.329 639 1HG1 VAL 82 HG11 VAL 82 9.623 1.602 -6.904 640 2HG1 VAL 82 HG12 VAL 82 9.636 0.787 -8.467 641 3HG1 VAL 82 HG13 VAL 82 10.181 -0.066 -7.025 642 1HG2 VAL 82 HG21 VAL 82 6.772 -0.087 -5.451 643 2HG2 VAL 82 HG22 VAL 82 7.458 1.529 -5.605 644 3HG2 VAL 82 HG23 VAL 82 8.464 0.194 -5.049 645 H GLY 83 HN GLY 83 8.767 1.287 -10.011 646 1HA GLY 83 HA2 GLY 83 9.299 -0.008 -11.961 647 2HA GLY 83 HA1 GLY 83 7.844 -0.965 -11.698 648 H ASP 84 HN ASP 84 7.155 2.338 -11.411 649 HA ASP 84 HA ASP 84 5.905 2.312 -14.118 650 1HB ASP 84 HB2 ASP 84 5.516 3.812 -11.530 651 2HB ASP 84 HB1 ASP 84 4.778 4.386 -13.022 652 H ARG 85 HN ARG 85 6.501 3.821 -15.694 653 HA ARG 85 HA ARG 85 8.706 5.720 -14.947 654 1HB ARG 85 HB2 ARG 85 8.097 4.298 -17.561 655 2HB ARG 85 HB1 ARG 85 9.425 5.425 -17.314 656 1HG ARG 85 HG2 ARG 85 10.382 3.945 -15.597 657 2HG ARG 85 HG1 ARG 85 9.036 2.820 -15.810 658 1HD ARG 85 HD2 ARG 85 9.679 2.504 -18.185 659 2HD ARG 85 HD1 ARG 85 11.050 3.602 -17.950 660 HE ARG 85 HE ARG 85 10.895 0.857 -16.980 661 1HH1 ARG 85 HH11 ARG 85 12.147 4.035 -16.478 662 2HH1 ARG 85 HH12 ARG 85 13.472 3.501 -15.503 663 1HH2 ARG 85 HH21 ARG 85 12.628 0.144 -15.719 664 2HH2 ARG 85 HH22 ARG 85 13.747 1.299 -15.073 665 H ASP 86 HN ASP 86 8.798 7.616 -16.536 666 HA ASP 86 HA ASP 86 6.079 8.793 -16.799 667 1HB ASP 86 HB2 ASP 86 8.840 9.991 -17.226 668 2HB ASP 86 HB1 ASP 86 7.332 10.877 -16.997 669 H SER 87 HN SER 87 7.851 6.839 -18.691 670 HA SER 87 HA SER 87 8.095 8.285 -21.175 671 1HB SER 87 HB2 SER 87 7.909 5.334 -20.505 672 2HB SER 87 HB1 SER 87 8.382 5.967 -22.079 673 HG SER 87 HG SER 87 10.021 5.452 -20.253 674 H GLU 88 HN GLU 88 5.337 7.268 -19.529 675 HA GLU 88 HA GLU 88 3.587 6.102 -21.306 676 1HB GLU 88 HB2 GLU 88 1.886 7.665 -20.209 677 2HB GLU 88 HB1 GLU 88 2.900 6.727 -19.109 678 1HG GLU 88 HG2 GLU 88 4.280 8.588 -18.623 679 2HG GLU 88 HG1 GLU 88 3.691 9.496 -20.011 680 H ASP 89 HN ASP 89 3.944 6.637 -23.491 681 HA ASP 89 HA ASP 89 3.252 9.446 -24.258 682 1HB ASP 89 HB2 ASP 89 5.516 7.780 -24.797 683 2HB ASP 89 HB1 ASP 89 4.711 8.150 -26.322 684 HA PRO 90 HA PRO 90 1.084 6.784 -27.479 685 1HB PRO 90 HB2 PRO 90 1.357 4.069 -27.486 686 2HB PRO 90 HB1 PRO 90 2.527 5.157 -28.256 687 1HG PRO 90 HG2 PRO 90 2.782 3.581 -25.804 688 2HG PRO 90 HG1 PRO 90 4.037 4.268 -26.840 689 1HD PRO 90 HD2 PRO 90 3.044 5.275 -24.355 690 2HD PRO 90 HD1 PRO 90 4.316 5.963 -25.388 691 H ASP 91 HN ASP 91 0.809 3.793 -25.674 692 HA ASP 91 HA ASP 91 -1.836 4.724 -24.607 693 1HB ASP 91 HB2 ASP 91 -1.021 2.046 -25.786 694 2HB ASP 91 HB1 ASP 91 -2.614 2.413 -25.122 695 H GLU 92 HN GLU 92 0.186 5.038 -22.838 696 HA GLU 92 HA GLU 92 0.117 2.579 -21.110 697 1HB GLU 92 HB2 GLU 92 2.142 4.811 -21.444 698 2HB GLU 92 HB1 GLU 92 2.243 3.597 -20.166 699 1HG GLU 92 HG2 GLU 92 2.085 1.836 -21.998 700 2HG GLU 92 HG1 GLU 92 2.335 3.144 -23.152 701 HA PRO 93 HA PRO 93 -2.096 6.020 -18.936 702 1HB PRO 93 HB2 PRO 93 -4.474 4.719 -18.593 703 2HB PRO 93 HB1 PRO 93 -4.093 5.671 -20.041 704 1HG PRO 93 HG2 PRO 93 -4.135 2.739 -19.672 705 2HG PRO 93 HG1 PRO 93 -4.496 3.705 -21.108 706 1HD PRO 93 HD2 PRO 93 -2.135 2.319 -20.631 707 2HD PRO 93 HD1 PRO 93 -2.364 3.609 -21.826 708 H ALA 94 HN ALA 94 -0.203 4.458 -17.742 709 HA ALA 94 HA ALA 94 -1.301 2.683 -15.703 710 1HB ALA 94 HB1 ALA 94 0.882 2.206 -16.462 711 2HB ALA 94 HB2 ALA 94 1.170 2.987 -14.907 712 3HB ALA 94 HB3 ALA 94 1.367 3.903 -16.402 713 H LYS 95 HN LYS 95 -2.713 3.858 -14.370 714 HA LYS 95 HA LYS 95 -1.428 5.906 -12.620 715 1HB LYS 95 HB2 LYS 95 -4.008 6.096 -14.201 716 2HB LYS 95 HB1 LYS 95 -3.635 7.184 -12.861 717 1HG LYS 95 HG2 LYS 95 -1.373 7.561 -14.129 718 2HG LYS 95 HG1 LYS 95 -2.245 6.913 -15.519 719 1HD LYS 95 HD2 LYS 95 -4.090 8.643 -14.843 720 2HD LYS 95 HD1 LYS 95 -2.779 9.437 -13.972 721 1HE LYS 95 HE2 LYS 95 -2.628 8.690 -16.914 722 2HE LYS 95 HE1 LYS 95 -3.061 10.306 -16.317 723 1HZ LYS 95 HZ1 LYS 95 -0.631 9.981 -16.764 724 2HZ LYS 95 HZ2 LYS 95 -0.601 8.863 -15.484 725 3HZ LYS 95 HZ3 LYS 95 -0.999 10.485 -15.187 726 H GLU 96 HN GLU 96 -4.869 5.144 -12.668 727 HA GLU 96 HA GLU 96 -4.613 3.997 -9.939 728 1HB GLU 96 HB2 GLU 96 -6.947 4.496 -9.789 729 2HB GLU 96 HB1 GLU 96 -6.244 5.840 -10.693 730 1HG GLU 96 HG2 GLU 96 -6.810 4.318 -12.782 731 2HG GLU 96 HG1 GLU 96 -7.966 3.583 -11.670 732 H GLN 97 HN GLN 97 -4.456 2.692 -12.991 733 HA GLN 97 HA GLN 97 -6.401 0.589 -12.893 734 1HB GLN 97 HB2 GLN 97 -5.131 -0.320 -14.732 735 2HB GLN 97 HB1 GLN 97 -5.086 1.439 -14.875 736 1HG GLN 97 HG2 GLN 97 -2.876 1.512 -13.868 737 2HG GLN 97 HG1 GLN 97 -2.924 -0.223 -13.559 738 1HE2 GLN 97 HE21 GLN 97 -1.258 -0.925 -14.973 739 2HE2 GLN 97 HE22 GLN 97 -1.295 -0.688 -16.654 740 H LEU 98 HN LEU 98 -3.221 0.861 -11.382 741 HA LEU 98 HA LEU 98 -2.972 -2.002 -10.884 742 1HB LEU 98 HB2 LEU 98 -1.585 0.429 -9.714 743 2HB LEU 98 HB1 LEU 98 -1.037 -1.240 -9.537 744 HG LEU 98 HG LEU 98 -1.425 0.161 -12.190 745 1HD1 LEU 98 HD11 LEU 98 1.244 -0.664 -11.119 746 2HD1 LEU 98 HD12 LEU 98 0.523 0.825 -10.506 747 3HD1 LEU 98 HD13 LEU 98 0.839 0.646 -12.231 748 1HD2 LEU 98 HD21 LEU 98 -0.141 -1.836 -13.006 749 2HD2 LEU 98 HD22 LEU 98 -1.724 -2.243 -12.337 750 3HD2 LEU 98 HD23 LEU 98 -0.266 -2.517 -11.383 751 H TYR 99 HN TYR 99 -3.516 0.826 -8.770 752 HA TYR 99 HA TYR 99 -5.005 -0.983 -6.911 753 1HB TYR 99 HB2 TYR 99 -2.522 -0.276 -6.456 754 2HB TYR 99 HB1 TYR 99 -3.219 1.285 -6.043 755 HD1 TYR 99 HD1 TYR 99 -5.765 -0.832 -5.194 756 HD2 TYR 99 HD2 TYR 99 -1.779 0.132 -3.923 757 HE1 TYR 99 HE1 TYR 99 -6.286 -1.642 -2.901 758 HE2 TYR 99 HE2 TYR 99 -2.314 -0.678 -1.647 759 HH TYR 99 HH TYR 99 -4.896 -2.583 -0.936 760 H HIS 100 HN HIS 100 -5.400 1.290 -5.073 761 HA HIS 100 HA HIS 100 -7.795 2.417 -6.184 762 1HB HIS 100 HB2 HIS 100 -7.710 3.742 -4.039 763 2HB HIS 100 HB1 HIS 100 -7.541 2.007 -3.811 764 HD2 HIS 100 HD2 HIS 100 -6.163 3.753 -1.459 765 HE1 HIS 100 HE1 HIS 100 -2.495 2.985 -3.409 766 HE2 HIS 100 HE2 HIS 100 -3.595 3.573 -1.236 767 H SER 101 HN SER 101 -8.037 4.953 -6.002 768 HA SER 101 HA SER 101 -6.206 6.078 -7.969 769 1HB SER 101 HB2 SER 101 -8.499 7.239 -6.365 770 2HB SER 101 HB1 SER 101 -7.766 7.996 -7.777 771 HG SER 101 HG SER 101 -9.643 6.088 -7.666 772 H ALA 102 HN ALA 102 -5.955 5.760 -4.634 773 HA ALA 102 HA ALA 102 -4.580 8.371 -4.230 774 1HB ALA 102 HB1 ALA 102 -6.036 6.438 -2.639 775 2HB ALA 102 HB2 ALA 102 -5.561 8.083 -2.216 776 3HB ALA 102 HB3 ALA 102 -4.455 6.744 -1.924 777 H GLU 103 HN GLU 103 -3.901 5.039 -4.880 778 HA GLU 103 HA GLU 103 -1.451 4.532 -3.677 779 1HB GLU 103 HB2 GLU 103 -1.198 2.921 -5.374 780 2HB GLU 103 HB1 GLU 103 -2.923 3.236 -5.443 781 1HG GLU 103 HG2 GLU 103 -2.282 5.070 -7.179 782 2HG GLU 103 HG1 GLU 103 -0.776 4.163 -7.319 783 H LEU 104 HN LEU 104 0.712 5.160 -4.087 784 HA LEU 104 HA LEU 104 1.021 7.487 -5.951 785 1HB LEU 104 HB2 LEU 104 2.022 6.759 -3.258 786 2HB LEU 104 HB1 LEU 104 3.188 7.560 -4.321 787 HG LEU 104 HG LEU 104 1.394 9.288 -4.795 788 1HD1 LEU 104 HD11 LEU 104 -0.138 9.119 -2.478 789 2HD1 LEU 104 HD12 LEU 104 -0.055 7.453 -3.043 790 3HD1 LEU 104 HD13 LEU 104 -0.682 8.712 -4.104 791 1HD2 LEU 104 HD21 LEU 104 1.694 10.394 -2.521 792 2HD2 LEU 104 HD22 LEU 104 3.186 9.870 -3.302 793 3HD2 LEU 104 HD23 LEU 104 2.492 8.913 -1.995 794 H HIS 105 HN HIS 105 2.815 7.442 -7.390 795 HA HIS 105 HA HIS 105 3.954 4.713 -7.805 796 1HB HIS 105 HB2 HIS 105 3.777 7.173 -9.558 797 2HB HIS 105 HB1 HIS 105 4.473 5.636 -10.061 798 HD1 HIS 105 HD1 HIS 105 2.558 5.479 -11.888 799 HD2 HIS 105 HD2 HIS 105 1.218 5.359 -7.947 800 HE1 HIS 105 HE1 HIS 105 0.169 4.649 -11.968 801 H LEU 106 HN LEU 106 6.165 4.359 -7.723 802 HA LEU 106 HA LEU 106 7.927 6.734 -7.239 803 1HB LEU 106 HB2 LEU 106 7.417 5.567 -5.148 804 2HB LEU 106 HB1 LEU 106 7.906 4.030 -5.867 805 HG LEU 106 HG LEU 106 10.199 4.916 -6.181 806 1HD1 LEU 106 HD11 LEU 106 9.618 7.232 -4.394 807 2HD1 LEU 106 HD12 LEU 106 9.143 7.383 -6.082 808 3HD1 LEU 106 HD13 LEU 106 10.825 7.069 -5.667 809 1HD2 LEU 106 HD21 LEU 106 8.875 4.713 -3.524 810 2HD2 LEU 106 HD22 LEU 106 10.511 5.366 -3.548 811 3HD2 LEU 106 HD23 LEU 106 10.195 3.761 -4.201 812 H GLY 107 HN GLY 107 10.021 6.587 -8.125 813 1HA GLY 107 HA2 GLY 107 10.335 4.985 -10.487 814 2HA GLY 107 HA1 GLY 107 11.601 5.955 -9.736 815 H ILE 108 HN ILE 108 11.739 3.215 -10.875 816 HA ILE 108 HA ILE 108 11.883 1.204 -8.896 817 HB ILE 108 HB ILE 108 13.387 1.738 -11.470 818 1HG1 ILE 108 HG12 ILE 108 10.922 0.108 -10.779 819 2HG1 ILE 108 HG11 ILE 108 10.977 1.566 -11.774 820 1HG2 ILE 108 HG21 ILE 108 14.057 -0.535 -11.450 821 2HG2 ILE 108 HG22 ILE 108 13.012 -0.903 -10.076 822 3HG2 ILE 108 HG23 ILE 108 14.452 0.097 -9.848 823 1HD1 ILE 108 HD11 ILE 108 11.212 -1.063 -12.694 824 2HD1 ILE 108 HD12 ILE 108 12.865 -0.450 -12.709 825 3HD1 ILE 108 HD13 ILE 108 11.605 0.396 -13.604 826 H HIS 109 HN HIS 109 14.320 3.574 -9.994 827 HA HIS 109 HA HIS 109 16.246 2.531 -7.984 828 1HB HIS 109 HB2 HIS 109 17.845 3.866 -9.161 829 2HB HIS 109 HB1 HIS 109 16.800 3.177 -10.402 830 HD1 HIS 109 HD1 HIS 109 15.446 4.778 -11.818 831 HD2 HIS 109 HD2 HIS 109 17.281 6.677 -8.592 832 HE1 HIS 109 HE1 HIS 109 15.104 7.260 -12.161 833 H GLN 110 HN GLN 110 13.632 4.301 -7.595 834 HA GLN 110 HA GLN 110 14.959 6.418 -5.926 835 1HB GLN 110 HB2 GLN 110 12.072 6.345 -6.834 836 2HB GLN 110 HB1 GLN 110 12.998 7.735 -6.279 837 1HG GLN 110 HG2 GLN 110 14.469 7.459 -8.313 838 2HG GLN 110 HG1 GLN 110 13.336 6.237 -8.889 839 1HE2 GLN 110 HE21 GLN 110 11.358 8.307 -7.227 840 2HE2 GLN 110 HE22 GLN 110 10.944 9.377 -8.477 841 H LEU 111 HN LEU 111 14.235 3.481 -5.274 842 HA LEU 111 HA LEU 111 12.035 3.170 -3.587 843 1HB LEU 111 HB2 LEU 111 14.891 2.189 -3.272 844 2HB LEU 111 HB1 LEU 111 13.491 1.483 -2.455 845 HG LEU 111 HG LEU 111 13.860 1.694 -5.456 846 1HD1 LEU 111 HD11 LEU 111 14.287 -0.483 -3.437 847 2HD1 LEU 111 HD12 LEU 111 15.278 -0.042 -4.830 848 3HD1 LEU 111 HD13 LEU 111 13.757 -0.905 -5.065 849 1HD2 LEU 111 HD21 LEU 111 11.520 1.425 -3.847 850 2HD2 LEU 111 HD22 LEU 111 11.821 -0.138 -4.609 851 3HD2 LEU 111 HD23 LEU 111 11.646 1.308 -5.602 852 H GLU 112 HN GLU 112 15.002 4.904 -2.972 853 HA GLU 112 HA GLU 112 14.803 5.192 -0.129 854 1HB GLU 112 HB2 GLU 112 16.564 6.736 -0.484 855 2HB GLU 112 HB1 GLU 112 16.683 5.663 -1.877 856 1HG GLU 112 HG2 GLU 112 15.278 7.264 -3.181 857 2HG GLU 112 HG1 GLU 112 15.313 8.363 -1.806 858 H GLN 113 HN GLN 113 12.903 6.469 -2.674 859 HA GLN 113 HA GLN 113 12.067 8.933 -1.279 860 1HB GLN 113 HB2 GLN 113 11.443 7.501 -3.853 861 2HB GLN 113 HB1 GLN 113 10.470 8.874 -3.335 862 1HG GLN 113 HG2 GLN 113 12.573 10.226 -3.156 863 2HG GLN 113 HG1 GLN 113 13.463 8.855 -3.821 864 1HE2 GLN 113 HE21 GLN 113 13.936 10.502 -5.647 865 2HE2 GLN 113 HE22 GLN 113 12.785 10.639 -6.889 866 H LEU 114 HN LEU 114 11.280 5.667 -1.073 867 HA LEU 114 HA LEU 114 8.493 5.497 -0.891 868 1HB LEU 114 HB2 LEU 114 10.842 4.196 0.434 869 2HB LEU 114 HB1 LEU 114 9.223 3.799 1.013 870 HG LEU 114 HG LEU 114 9.591 3.788 -1.935 871 1HD1 LEU 114 HD11 LEU 114 11.313 2.279 -0.144 872 2HD1 LEU 114 HD12 LEU 114 11.366 2.401 -1.899 873 3HD1 LEU 114 HD13 LEU 114 10.320 1.206 -1.131 874 1HD2 LEU 114 HD21 LEU 114 8.363 1.742 -0.081 875 2HD2 LEU 114 HD22 LEU 114 7.999 2.018 -1.784 876 3HD2 LEU 114 HD23 LEU 114 7.501 3.202 -0.571 877 HA PRO 115 HA PRO 115 8.807 6.871 3.730 878 1HB PRO 115 HB2 PRO 115 10.839 8.622 4.310 879 2HB PRO 115 HB1 PRO 115 10.957 6.869 4.555 880 1HG PRO 115 HG2 PRO 115 11.949 8.529 2.283 881 2HG PRO 115 HG1 PRO 115 12.757 7.207 3.146 882 1HD PRO 115 HD2 PRO 115 11.618 6.820 0.762 883 2HD PRO 115 HD1 PRO 115 11.558 5.561 2.010 884 H TYR 116 HN TYR 116 9.998 9.089 1.222 885 HA TYR 116 HA TYR 116 8.338 11.286 2.240 886 1HB TYR 116 HB2 TYR 116 9.758 12.475 0.943 887 2HB TYR 116 HB1 TYR 116 10.590 10.964 0.597 888 HD1 TYR 116 HD1 TYR 116 7.518 12.830 -0.484 889 HD2 TYR 116 HD2 TYR 116 10.842 10.363 -1.615 890 HE1 TYR 116 HE1 TYR 116 6.848 13.020 -2.869 891 HE2 TYR 116 HE2 TYR 116 10.178 10.552 -3.997 892 HH TYR 116 HH TYR 116 8.685 12.549 -5.330 893 H GLN 117 HN GLN 117 8.191 8.736 -0.157 894 HA GLN 117 HA GLN 117 5.814 9.666 -1.520 895 1HB GLN 117 HB2 GLN 117 7.349 7.089 -1.235 896 2HB GLN 117 HB1 GLN 117 5.801 7.101 -2.078 897 1HG GLN 117 HG2 GLN 117 8.083 8.975 -2.758 898 2HG GLN 117 HG1 GLN 117 7.804 7.438 -3.582 899 1HE2 GLN 117 HE21 GLN 117 7.607 10.028 -4.915 900 2HE2 GLN 117 HE22 GLN 117 5.993 10.226 -5.400 901 H VAL 118 HN VAL 118 6.512 7.585 1.238 902 HA VAL 118 HA VAL 118 3.888 6.608 1.769 903 HB VAL 118 HB VAL 118 6.420 7.144 3.306 904 1HG1 VAL 118 HG11 VAL 118 3.725 6.449 4.470 905 2HG1 VAL 118 HG12 VAL 118 4.928 7.591 5.069 906 3HG1 VAL 118 HG13 VAL 118 5.211 5.857 5.222 907 1HG2 VAL 118 HG21 VAL 118 6.154 5.165 1.815 908 2HG2 VAL 118 HG22 VAL 118 4.784 4.642 2.799 909 3HG2 VAL 118 HG23 VAL 118 6.402 4.712 3.500 910 H ASP 119 HN ASP 119 5.575 9.392 3.329 911 HA ASP 119 HA ASP 119 3.392 10.454 4.757 912 1HB ASP 119 HB2 ASP 119 5.618 11.874 3.252 913 2HB ASP 119 HB1 ASP 119 4.665 12.580 4.557 914 H ALA 120 HN ALA 120 4.352 11.031 1.370 915 HA ALA 120 HA ALA 120 2.198 12.858 0.778 916 1HB ALA 120 HB1 ALA 120 4.040 11.064 -0.826 917 2HB ALA 120 HB2 ALA 120 4.113 12.812 -0.653 918 3HB ALA 120 HB3 ALA 120 2.830 12.077 -1.610 919 H ALA 121 HN ALA 121 2.636 9.345 0.574 920 HA ALA 121 HA ALA 121 0.195 8.690 -0.736 921 1HB ALA 121 HB1 ALA 121 0.707 6.516 0.748 922 2HB ALA 121 HB2 ALA 121 2.228 7.373 1.021 923 3HB ALA 121 HB3 ALA 121 1.732 6.957 -0.622 924 H LEU 122 HN LEU 122 0.907 9.418 2.671 925 HA LEU 122 HA LEU 122 -1.610 8.461 3.723 926 1HB LEU 122 HB2 LEU 122 0.174 10.715 4.709 927 2HB LEU 122 HB1 LEU 122 -0.989 9.805 5.671 928 HG LEU 122 HG LEU 122 1.524 8.720 4.382 929 1HD1 LEU 122 HD11 LEU 122 1.163 10.061 6.770 930 2HD1 LEU 122 HD12 LEU 122 2.496 8.966 6.409 931 3HD1 LEU 122 HD13 LEU 122 1.067 8.366 7.252 932 1HD2 LEU 122 HD21 LEU 122 -0.624 7.317 6.008 933 2HD2 LEU 122 HD22 LEU 122 0.891 6.588 5.471 934 3HD2 LEU 122 HD23 LEU 122 -0.319 7.077 4.286 935 H ALA 123 HN ALA 123 -0.455 11.727 2.837 936 HA ALA 123 HA ALA 123 -2.924 13.065 3.310 937 1HB ALA 123 HB1 ALA 123 -0.321 13.529 2.093 938 2HB ALA 123 HB2 ALA 123 -1.368 14.670 2.941 939 3HB ALA 123 HB3 ALA 123 -1.597 14.373 1.219 940 H GLU 124 HN GLU 124 -1.575 11.619 0.319 941 HA GLU 124 HA GLU 124 -3.744 12.313 -1.405 942 1HB GLU 124 HB2 GLU 124 -1.540 11.438 -2.114 943 2HB GLU 124 HB1 GLU 124 -1.920 9.885 -1.370 944 1HG GLU 124 HG2 GLU 124 -2.446 9.604 -3.672 945 2HG GLU 124 HG1 GLU 124 -3.999 9.848 -2.871 946 H PHE 125 HN PHE 125 -3.184 9.463 0.680 947 HA PHE 125 HA PHE 125 -5.533 7.999 -0.035 948 1HB PHE 125 HB2 PHE 125 -3.572 7.129 1.223 949 2HB PHE 125 HB1 PHE 125 -4.016 8.149 2.595 950 HD1 PHE 125 HD1 PHE 125 -5.465 5.559 0.311 951 HD2 PHE 125 HD2 PHE 125 -5.470 7.299 4.239 952 HE1 PHE 125 HE1 PHE 125 -7.068 3.826 1.075 953 HE2 PHE 125 HE2 PHE 125 -7.072 5.563 5.002 954 HZ PHE 125 HZ PHE 125 -7.871 3.830 3.422 955 H LEU 126 HN LEU 126 -4.929 10.255 2.663 956 HA LEU 126 HA LEU 126 -7.520 10.108 3.831 957 1HB LEU 126 HB2 LEU 126 -5.469 12.341 3.733 958 2HB LEU 126 HB1 LEU 126 -6.795 12.232 4.892 959 HG LEU 126 HG LEU 126 -4.713 10.066 4.541 960 1HD1 LEU 126 HD11 LEU 126 -3.542 10.949 6.414 961 2HD1 LEU 126 HD12 LEU 126 -4.848 12.071 6.798 962 3HD1 LEU 126 HD13 LEU 126 -3.847 12.338 5.371 963 1HD2 LEU 126 HD21 LEU 126 -6.238 8.926 5.752 964 2HD2 LEU 126 HD22 LEU 126 -7.192 10.380 6.047 965 3HD2 LEU 126 HD23 LEU 126 -5.828 9.993 7.093 966 H ARG 127 HN ARG 127 -6.197 12.504 1.533 967 HA ARG 127 HA ARG 127 -8.589 14.029 1.300 968 1HB ARG 127 HB2 ARG 127 -6.267 14.639 0.570 969 2HB ARG 127 HB1 ARG 127 -6.453 13.526 -0.790 970 1HG ARG 127 HG2 ARG 127 -8.357 14.779 -1.621 971 2HG ARG 127 HG1 ARG 127 -8.324 15.834 -0.207 972 1HD ARG 127 HD2 ARG 127 -6.056 16.611 -0.854 973 2HD ARG 127 HD1 ARG 127 -6.148 15.599 -2.309 974 HE ARG 127 HE ARG 127 -8.519 17.123 -2.238 975 1HH1 ARG 127 HH11 ARG 127 -5.103 17.601 -2.405 976 2HH1 ARG 127 HH12 ARG 127 -5.221 19.023 -3.387 977 1HH2 ARG 127 HH21 ARG 127 -8.686 18.976 -3.512 978 2HH2 ARG 127 HH22 ARG 127 -7.248 19.800 -4.015 979 H LEU 128 HN LEU 128 -7.467 11.169 -0.509 980 HA LEU 128 HA LEU 128 -9.750 11.248 -2.332 981 1HB LEU 128 HB2 LEU 128 -7.298 9.654 -1.855 982 2HB LEU 128 HB1 LEU 128 -8.621 8.810 -2.662 983 HG LEU 128 HG LEU 128 -8.788 10.728 -4.273 984 1HD1 LEU 128 HD11 LEU 128 -6.930 12.331 -4.359 985 2HD1 LEU 128 HD12 LEU 128 -6.200 11.582 -2.942 986 3HD1 LEU 128 HD13 LEU 128 -7.745 12.422 -2.797 987 1HD2 LEU 128 HD21 LEU 128 -7.004 8.600 -4.245 988 2HD2 LEU 128 HD22 LEU 128 -5.969 9.980 -4.603 989 3HD2 LEU 128 HD23 LEU 128 -7.352 9.621 -5.641 990 H ALA 129 HN ALA 129 -9.286 9.996 0.861 991 HA ALA 129 HA ALA 129 -10.999 7.694 0.717 992 1HB ALA 129 HB1 ALA 129 -9.969 9.540 2.840 993 2HB ALA 129 HB2 ALA 129 -9.642 7.823 2.604 994 3HB ALA 129 HB3 ALA 129 -11.195 8.348 3.262 995 HA PRO 130 HA PRO 130 -12.530 6.594 1.207 996 1HB PRO 130 HB2 PRO 130 -14.661 5.770 -0.295 997 2HB PRO 130 HB1 PRO 130 -14.766 6.047 1.456 998 1HG PRO 130 HG2 PRO 130 -15.649 7.777 -0.786 999 2HG PRO 130 HG1 PRO 130 -16.402 7.495 0.789 1000 1HD PRO 130 HD2 PRO 130 -14.949 9.723 0.161 1001 2HD PRO 130 HD1 PRO 130 -15.154 9.103 1.813 1002 H VAL 131 HN VAL 131 -11.237 5.640 -0.372 1003 HA VAL 131 HA VAL 131 -10.806 7.109 -2.867 1004 HB VAL 131 HB VAL 131 -9.660 4.427 -2.102 1005 1HG1 VAL 131 HG11 VAL 131 -8.815 6.798 -3.756 1006 2HG1 VAL 131 HG12 VAL 131 -8.930 5.108 -4.237 1007 3HG1 VAL 131 HG13 VAL 131 -7.631 5.633 -3.166 1008 1HG2 VAL 131 HG21 VAL 131 -7.842 6.069 -1.051 1009 2HG2 VAL 131 HG22 VAL 131 -9.223 5.516 -0.102 1010 3HG2 VAL 131 HG23 VAL 131 -9.248 7.115 -0.846 1011 H GLU 132 HN GLU 132 -10.836 6.014 -4.982 1012 HA GLU 132 HA GLU 132 -13.180 4.177 -5.211 1013 1HB GLU 132 HB2 GLU 132 -11.756 5.858 -7.302 1014 2HB GLU 132 HB1 GLU 132 -13.350 5.118 -7.448 1015 1HG GLU 132 HG2 GLU 132 -13.986 6.521 -5.373 1016 2HG GLU 132 HG1 GLU 132 -12.513 7.432 -5.700 1017 H THR 133 HN THR 133 -12.282 2.075 -5.079 1018 HA THR 133 HA THR 133 -9.845 1.447 -6.673 1019 HB THR 133 HB THR 133 -10.457 -0.863 -5.512 1020 HG1 THR 133 HG1 THR 133 -12.327 -0.553 -4.569 1021 1HG2 THR 133 HG21 THR 133 -8.494 0.536 -4.963 1022 2HG2 THR 133 HG22 THR 133 -9.218 -0.168 -3.517 1023 3HG2 THR 133 HG23 THR 133 -9.509 1.526 -3.912 1024 H MET 134 HN MET 134 -10.105 0.601 -8.727 1025 HA MET 134 HA MET 134 -12.832 -0.279 -9.539 1026 1HB MET 134 HB2 MET 134 -10.325 0.506 -11.046 1027 2HB MET 134 HB1 MET 134 -11.856 0.078 -11.816 1028 1HG MET 134 HG2 MET 134 -12.984 1.900 -10.585 1029 2HG MET 134 HG1 MET 134 -11.452 2.339 -9.831 1030 1HE MET 134 HE1 MET 134 -12.586 2.573 -14.253 1031 2HE MET 134 HE2 MET 134 -13.395 1.709 -12.945 1032 3HE MET 134 HE3 MET 134 -11.890 1.078 -13.610 1033 H ALA 135 HN ALA 135 -10.501 -1.903 -8.131 1034 HA ALA 135 HA ALA 135 -9.481 -3.932 -9.746 1035 1HB ALA 135 HB1 ALA 135 -9.846 -5.323 -7.599 1036 2HB ALA 135 HB2 ALA 135 -10.634 -3.884 -6.951 1037 3HB ALA 135 HB3 ALA 135 -8.935 -3.821 -7.426 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -1.794 7.956 16.658 2 2H MET 1 HT2 MET 1 -0.808 6.576 16.775 3 3H MET 1 HT3 MET 1 -2.457 6.420 16.391 4 HA MET 1 HA MET 1 -1.453 6.176 14.325 5 1HB MET 1 HB2 MET 1 -2.213 9.048 14.898 6 2HB MET 1 HB1 MET 1 -1.970 8.429 13.265 7 1HG MET 1 HG2 MET 1 -3.644 6.582 13.904 8 2HG MET 1 HG1 MET 1 -4.055 7.601 15.283 9 1HE MET 1 HE1 MET 1 -4.994 10.969 13.520 10 2HE MET 1 HE2 MET 1 -3.408 10.423 14.058 11 3HE MET 1 HE3 MET 1 -4.821 10.124 15.065 12 H LEU 2 HN LEU 2 -0.276 9.470 14.995 13 HA LEU 2 HA LEU 2 2.095 9.343 13.530 14 1HB LEU 2 HB2 LEU 2 1.099 11.351 14.569 15 2HB LEU 2 HB1 LEU 2 1.561 10.754 16.163 16 HG LEU 2 HG LEU 2 3.961 10.695 15.302 17 1HD1 LEU 2 HD11 LEU 2 4.484 12.019 13.339 18 2HD1 LEU 2 HD12 LEU 2 2.798 12.495 13.156 19 3HD1 LEU 2 HD13 LEU 2 3.271 10.821 12.878 20 1HD2 LEU 2 HD21 LEU 2 2.487 12.688 16.496 21 2HD2 LEU 2 HD22 LEU 2 3.174 13.529 15.106 22 3HD2 LEU 2 HD23 LEU 2 4.237 12.737 16.267 23 H SER 3 HN SER 3 1.426 7.851 16.626 24 HA SER 3 HA SER 3 3.957 7.558 17.781 25 1HB SER 3 HB2 SER 3 1.687 5.570 17.470 26 2HB SER 3 HB1 SER 3 3.003 5.393 18.628 27 HG SER 3 HG SER 3 1.555 6.467 19.789 28 H GLN 4 HN GLN 4 2.476 5.385 15.371 29 HA GLN 4 HA GLN 4 5.125 4.915 14.163 30 1HB GLN 4 HB2 GLN 4 3.469 2.816 15.581 31 2HB GLN 4 HB1 GLN 4 4.778 2.420 14.466 32 1HG GLN 4 HG2 GLN 4 6.157 4.105 15.932 33 2HG GLN 4 HG1 GLN 4 4.922 3.759 17.144 34 1HE2 GLN 4 HE21 GLN 4 7.919 2.730 16.096 35 2HE2 GLN 4 HE22 GLN 4 7.867 1.123 16.638 36 H ILE 5 HN ILE 5 4.916 3.631 12.132 37 HA ILE 5 HA ILE 5 2.178 3.918 10.943 38 HB ILE 5 HB ILE 5 4.901 4.022 9.623 39 1HG1 ILE 5 HG12 ILE 5 3.095 6.350 10.332 40 2HG1 ILE 5 HG11 ILE 5 4.432 5.832 11.361 41 1HG2 ILE 5 HG21 ILE 5 2.104 4.758 8.714 42 2HG2 ILE 5 HG22 ILE 5 3.116 3.463 8.076 43 3HG2 ILE 5 HG23 ILE 5 3.572 5.147 7.815 44 1HD1 ILE 5 HD11 ILE 5 5.506 7.423 10.066 45 2HD1 ILE 5 HD12 ILE 5 4.503 7.101 8.650 46 3HD1 ILE 5 HD13 ILE 5 5.792 5.981 9.087 47 H ALA 6 HN ALA 6 1.283 2.064 10.039 48 HA ALA 6 HA ALA 6 2.892 -0.429 10.114 49 1HB ALA 6 HB1 ALA 6 0.883 -1.371 10.570 50 2HB ALA 6 HB2 ALA 6 0.112 -0.550 9.211 51 3HB ALA 6 HB3 ALA 6 0.290 0.282 10.756 52 H ILE 7 HN ILE 7 3.988 -0.893 8.281 53 HA ILE 7 HA ILE 7 2.643 -0.291 5.666 54 HB ILE 7 HB ILE 7 5.566 -0.087 6.462 55 1HG1 ILE 7 HG12 ILE 7 3.564 2.019 5.599 56 2HG1 ILE 7 HG11 ILE 7 4.083 1.745 7.260 57 1HG2 ILE 7 HG21 ILE 7 5.974 -0.420 4.261 58 2HG2 ILE 7 HG22 ILE 7 5.174 1.124 3.974 59 3HG2 ILE 7 HG23 ILE 7 4.257 -0.380 3.869 60 1HD1 ILE 7 HD11 ILE 7 5.703 2.779 4.932 61 2HD1 ILE 7 HD12 ILE 7 6.488 2.068 6.341 62 3HD1 ILE 7 HD13 ILE 7 5.479 3.502 6.529 63 H CYS 8 HN CYS 8 2.327 -2.108 4.483 64 HA CYS 8 HA CYS 8 4.036 -4.507 5.074 65 1HB CYS 8 HB2 CYS 8 1.507 -4.419 5.622 66 2HB CYS 8 HB1 CYS 8 1.260 -4.488 3.881 67 HG CYS 8 HG CYS 8 3.110 -6.716 4.638 68 H ILE 9 HN ILE 9 5.472 -4.785 3.397 69 HA ILE 9 HA ILE 9 4.721 -3.809 0.683 70 HB ILE 9 HB ILE 9 6.811 -3.033 1.652 71 1HG1 ILE 9 HG12 ILE 9 7.442 -5.180 -0.381 72 2HG1 ILE 9 HG11 ILE 9 6.700 -3.643 -0.810 73 1HG2 ILE 9 HG21 ILE 9 8.593 -4.863 2.017 74 2HG2 ILE 9 HG22 ILE 9 7.225 -5.978 2.079 75 3HG2 ILE 9 HG23 ILE 9 7.355 -4.666 3.256 76 1HD1 ILE 9 HD11 ILE 9 9.187 -3.644 -1.095 77 2HD1 ILE 9 HD12 ILE 9 9.347 -3.910 0.641 78 3HD1 ILE 9 HD13 ILE 9 8.622 -2.418 0.038 79 H TRP 10 HN TRP 10 4.918 -5.118 -1.138 80 HA TRP 10 HA TRP 10 5.170 -8.059 -0.588 81 1HB TRP 10 HB2 TRP 10 2.893 -7.588 -1.189 82 2HB TRP 10 HB1 TRP 10 3.399 -6.529 -2.511 83 HD1 TRP 10 HD1 TRP 10 5.395 -9.674 -2.083 84 HE1 TRP 10 HE1 TRP 10 4.881 -11.318 -3.998 85 HE3 TRP 10 HE3 TRP 10 1.357 -7.354 -4.170 86 HZ2 TRP 10 HZ2 TRP 10 3.000 -11.623 -6.114 87 HZ3 TRP 10 HZ3 TRP 10 0.239 -8.343 -6.136 88 HH2 TRP 10 HH2 TRP 10 1.041 -10.480 -7.106 89 H VAL 11 HN VAL 11 7.358 -8.249 -1.173 90 HA VAL 11 HA VAL 11 7.887 -7.912 -4.068 91 HB VAL 11 HB VAL 11 8.542 -5.804 -3.049 92 1HG1 VAL 11 HG11 VAL 11 9.046 -5.878 -0.864 93 2HG1 VAL 11 HG12 VAL 11 10.658 -6.350 -1.383 94 3HG1 VAL 11 HG13 VAL 11 9.482 -7.585 -0.934 95 1HG2 VAL 11 HG21 VAL 11 10.371 -7.644 -4.302 96 2HG2 VAL 11 HG22 VAL 11 11.248 -6.590 -3.193 97 3HG2 VAL 11 HG23 VAL 11 10.269 -5.893 -4.484 98 H GLU 12 HN GLU 12 8.673 -9.805 -4.700 99 HA GLU 12 HA GLU 12 9.544 -11.894 -2.938 100 1HB GLU 12 HB2 GLU 12 9.576 -11.383 -5.906 101 2HB GLU 12 HB1 GLU 12 10.243 -12.874 -5.237 102 1HG GLU 12 HG2 GLU 12 8.113 -13.428 -4.212 103 2HG GLU 12 HG1 GLU 12 7.435 -11.870 -4.686 104 H SER 13 HN SER 13 11.294 -9.267 -4.425 105 HA SER 13 HA SER 13 13.913 -10.618 -4.124 106 1HB SER 13 HB2 SER 13 13.181 -9.043 -6.011 107 2HB SER 13 HB1 SER 13 13.312 -7.739 -4.835 108 HG SER 13 HG SER 13 15.383 -9.595 -5.390 109 H THR 14 HN THR 14 15.092 -10.448 -2.231 110 HA THR 14 HA THR 14 14.167 -8.984 0.061 111 HB THR 14 HB THR 14 17.058 -9.612 -0.228 112 HG1 THR 14 HG1 THR 14 15.471 -11.838 0.073 113 1HG2 THR 14 HG21 THR 14 15.394 -9.168 1.860 114 2HG2 THR 14 HG22 THR 14 16.863 -10.133 1.986 115 3HG2 THR 14 HG23 THR 14 15.304 -10.927 1.767 116 H ALA 15 HN ALA 15 16.818 -8.342 -2.252 117 HA ALA 15 HA ALA 15 17.836 -5.959 -1.197 118 1HB ALA 15 HB1 ALA 15 18.095 -7.499 -3.477 119 2HB ALA 15 HB2 ALA 15 18.957 -5.989 -3.184 120 3HB ALA 15 HB3 ALA 15 17.461 -5.981 -4.119 121 H ILE 16 HN ILE 16 15.143 -6.283 -3.543 122 HA ILE 16 HA ILE 16 14.456 -3.497 -3.597 123 HB ILE 16 HB ILE 16 12.809 -6.014 -3.997 124 1HG1 ILE 16 HG12 ILE 16 14.128 -4.244 -6.071 125 2HG1 ILE 16 HG11 ILE 16 14.871 -5.717 -5.442 126 1HG2 ILE 16 HG21 ILE 16 11.367 -4.083 -3.660 127 2HG2 ILE 16 HG22 ILE 16 11.358 -4.514 -5.372 128 3HG2 ILE 16 HG23 ILE 16 12.310 -3.138 -4.811 129 1HD1 ILE 16 HD11 ILE 16 12.783 -5.440 -7.438 130 2HD1 ILE 16 HD12 ILE 16 12.239 -6.447 -6.096 131 3HD1 ILE 16 HD13 ILE 16 13.701 -6.877 -6.981 132 H LEU 17 HN LEU 17 13.279 -6.257 -1.706 133 HA LEU 17 HA LEU 17 11.295 -4.923 -0.168 134 1HB LEU 17 HB2 LEU 17 11.415 -7.310 -0.112 135 2HB LEU 17 HB1 LEU 17 13.145 -7.289 0.197 136 HG LEU 17 HG LEU 17 11.478 -7.839 2.148 137 1HD1 LEU 17 HD11 LEU 17 14.068 -7.053 2.013 138 2HD1 LEU 17 HD12 LEU 17 13.246 -7.431 3.525 139 3HD1 LEU 17 HD13 LEU 17 13.399 -5.755 2.998 140 1HD2 LEU 17 HD21 LEU 17 10.363 -6.107 3.158 141 2HD2 LEU 17 HD22 LEU 17 10.403 -5.434 1.528 142 3HD2 LEU 17 HD23 LEU 17 11.593 -4.927 2.724 143 H GLN 18 HN GLN 18 14.740 -5.537 0.443 144 HA GLN 18 HA GLN 18 14.977 -4.105 2.905 145 1HB GLN 18 HB2 GLN 18 16.877 -4.789 0.647 146 2HB GLN 18 HB1 GLN 18 17.418 -4.082 2.168 147 1HG GLN 18 HG2 GLN 18 16.303 -6.004 3.363 148 2HG GLN 18 HG1 GLN 18 16.013 -6.737 1.786 149 1HE2 GLN 18 HE21 GLN 18 17.528 -8.405 1.627 150 2HE2 GLN 18 HE22 GLN 18 19.190 -8.228 1.916 151 H ASP 19 HN ASP 19 15.410 -3.076 -0.497 152 HA ASP 19 HA ASP 19 16.368 -0.448 0.005 153 1HB ASP 19 HB2 ASP 19 14.576 -1.543 -2.196 154 2HB ASP 19 HB1 ASP 19 15.460 -0.020 -2.286 155 H CYS 20 HN CYS 20 13.013 -1.664 -0.281 156 HA CYS 20 HA CYS 20 11.722 0.879 0.069 157 1HB CYS 20 HB2 CYS 20 10.926 -1.992 0.637 158 2HB CYS 20 HB1 CYS 20 9.802 -0.637 0.764 159 HG CYS 20 HG CYS 20 10.977 -1.757 -1.873 160 H GLN 21 HN GLN 21 12.603 -1.703 2.371 161 HA GLN 21 HA GLN 21 11.585 -0.460 4.731 162 1HB GLN 21 HB2 GLN 21 13.899 -2.352 4.230 163 2HB GLN 21 HB1 GLN 21 13.208 -2.019 5.821 164 1HG GLN 21 HG2 GLN 21 10.991 -2.765 4.985 165 2HG GLN 21 HG1 GLN 21 11.739 -3.181 3.442 166 1HE2 GLN 21 HE21 GLN 21 10.504 -4.874 5.711 167 2HE2 GLN 21 HE22 GLN 21 11.684 -6.056 6.015 168 H ARG 22 HN ARG 22 14.808 -0.390 3.214 169 HA ARG 22 HA ARG 22 16.290 1.104 5.033 170 1HB ARG 22 HB2 ARG 22 16.075 0.770 2.093 171 2HB ARG 22 HB1 ARG 22 17.077 2.108 2.659 172 1HG ARG 22 HG2 ARG 22 18.580 0.704 3.748 173 2HG ARG 22 HG1 ARG 22 17.385 -0.579 3.948 174 1HD ARG 22 HD2 ARG 22 17.487 -1.097 1.555 175 2HD ARG 22 HD1 ARG 22 18.633 0.236 1.301 176 HE ARG 22 HE ARG 22 19.256 -2.334 2.560 177 1HH1 ARG 22 HH11 ARG 22 19.984 1.034 2.330 178 2HH1 ARG 22 HH12 ARG 22 21.650 0.836 2.760 179 1HH2 ARG 22 HH21 ARG 22 21.427 -2.605 3.124 180 2HH2 ARG 22 HH22 ARG 22 22.468 -1.225 3.198 181 H ALA 23 HN ALA 23 14.258 2.438 2.420 182 HA ALA 23 HA ALA 23 14.612 5.177 3.248 183 1HB ALA 23 HB1 ALA 23 14.019 4.164 0.972 184 2HB ALA 23 HB2 ALA 23 13.098 5.591 1.443 185 3HB ALA 23 HB3 ALA 23 12.379 3.990 1.591 186 H LEU 24 HN LEU 24 11.799 2.950 3.511 187 HA LEU 24 HA LEU 24 10.224 4.808 5.076 188 1HB LEU 24 HB2 LEU 24 10.083 1.843 4.505 189 2HB LEU 24 HB1 LEU 24 8.794 2.753 5.301 190 HG LEU 24 HG LEU 24 9.930 3.282 2.548 191 1HD1 LEU 24 HD11 LEU 24 8.187 1.386 3.121 192 2HD1 LEU 24 HD12 LEU 24 7.967 2.409 1.701 193 3HD1 LEU 24 HD13 LEU 24 7.063 2.739 3.180 194 1HD2 LEU 24 HD21 LEU 24 7.996 4.779 4.309 195 2HD2 LEU 24 HD22 LEU 24 7.996 4.968 2.565 196 3HD2 LEU 24 HD23 LEU 24 9.428 5.383 3.501 197 H SER 25 HN SER 25 12.351 2.141 5.945 198 HA SER 25 HA SER 25 11.619 1.556 8.555 199 1HB SER 25 HB2 SER 25 14.302 1.801 7.192 200 2HB SER 25 HB1 SER 25 14.150 1.181 8.834 201 HG SER 25 HG SER 25 13.898 -0.608 7.670 202 H ALA 26 HN ALA 26 10.792 3.753 9.259 203 HA ALA 26 HA ALA 26 12.933 5.587 10.228 204 1HB ALA 26 HB1 ALA 26 10.133 6.341 10.652 205 2HB ALA 26 HB2 ALA 26 10.461 5.931 8.967 206 3HB ALA 26 HB3 ALA 26 11.390 7.198 9.761 207 H ASP 27 HN ASP 27 12.437 6.466 12.526 208 HA ASP 27 HA ASP 27 12.431 4.348 14.422 209 1HB ASP 27 HB2 ASP 27 13.083 6.942 14.400 210 2HB ASP 27 HB1 ASP 27 11.500 7.083 15.167 211 H ARG 28 HN ARG 28 9.808 5.807 12.776 212 HA ARG 28 HA ARG 28 7.858 4.733 14.795 213 1HB ARG 28 HB2 ARG 28 6.417 6.528 14.039 214 2HB ARG 28 HB1 ARG 28 8.010 7.227 14.336 215 1HG ARG 28 HG2 ARG 28 8.515 6.846 11.881 216 2HG ARG 28 HG1 ARG 28 6.808 6.454 11.671 217 1HD ARG 28 HD2 ARG 28 6.898 8.765 11.164 218 2HD ARG 28 HD1 ARG 28 6.394 8.754 12.869 219 HE ARG 28 HE ARG 28 8.544 9.558 13.464 220 1HH1 ARG 28 HH11 ARG 28 8.462 8.358 10.224 221 2HH1 ARG 28 HH12 ARG 28 10.021 8.991 9.815 222 1HH2 ARG 28 HH21 ARG 28 10.565 10.399 12.939 223 2HH2 ARG 28 HH22 ARG 28 11.213 10.145 11.352 224 H TYR 29 HN TYR 29 9.187 3.334 12.403 225 HA TYR 29 HA TYR 29 6.789 2.917 10.672 226 1HB TYR 29 HB2 TYR 29 9.725 2.916 10.422 227 2HB TYR 29 HB1 TYR 29 8.896 1.698 9.468 228 HD1 TYR 29 HD1 TYR 29 8.029 2.291 7.361 229 HD2 TYR 29 HD2 TYR 29 8.675 5.318 10.328 230 HE1 TYR 29 HE1 TYR 29 7.379 4.039 5.741 231 HE2 TYR 29 HE2 TYR 29 8.037 7.071 8.702 232 HH TYR 29 HH TYR 29 7.826 7.424 6.381 233 H GLN 30 HN GLN 30 5.748 0.988 10.696 234 HA GLN 30 HA GLN 30 6.995 -1.290 12.199 235 1HB GLN 30 HB2 GLN 30 4.746 -0.259 12.881 236 2HB GLN 30 HB1 GLN 30 4.106 -0.894 11.368 237 1HG GLN 30 HG2 GLN 30 4.910 -3.170 12.051 238 2HG GLN 30 HG1 GLN 30 5.338 -2.489 13.620 239 1HE2 GLN 30 HE21 GLN 30 3.188 -4.519 12.882 240 2HE2 GLN 30 HE22 GLN 30 1.751 -3.869 13.508 241 H LEU 31 HN LEU 31 8.281 -1.858 10.287 242 HA LEU 31 HA LEU 31 7.117 -2.285 7.696 243 1HB LEU 31 HB2 LEU 31 9.663 -2.987 9.118 244 2HB LEU 31 HB1 LEU 31 9.359 -3.604 7.494 245 HG LEU 31 HG LEU 31 10.605 -1.381 7.624 246 1HD1 LEU 31 HD11 LEU 31 8.720 -2.347 5.819 247 2HD1 LEU 31 HD12 LEU 31 9.834 -1.011 5.529 248 3HD1 LEU 31 HD13 LEU 31 8.202 -0.686 6.110 249 1HD2 LEU 31 HD21 LEU 31 9.175 -0.451 9.461 250 2HD2 LEU 31 HD22 LEU 31 7.836 -0.356 8.314 251 3HD2 LEU 31 HD23 LEU 31 9.289 0.611 8.057 252 H GLN 32 HN GLN 32 6.512 -4.142 6.666 253 HA GLN 32 HA GLN 32 6.496 -6.737 8.125 254 1HB GLN 32 HB2 GLN 32 4.384 -5.361 8.538 255 2HB GLN 32 HB1 GLN 32 4.055 -5.497 6.810 256 1HG GLN 32 HG2 GLN 32 2.855 -7.253 8.009 257 2HG GLN 32 HG1 GLN 32 4.123 -7.975 7.021 258 1HE2 GLN 32 HE21 GLN 32 5.488 -9.391 8.098 259 2HE2 GLN 32 HE22 GLN 32 5.712 -9.445 9.780 260 H VAL 33 HN VAL 33 7.407 -8.150 6.620 261 HA VAL 33 HA VAL 33 7.141 -7.441 3.731 262 HB VAL 33 HB VAL 33 8.989 -9.464 4.996 263 1HG1 VAL 33 HG11 VAL 33 9.412 -7.665 2.603 264 2HG1 VAL 33 HG12 VAL 33 8.648 -9.248 2.467 265 3HG1 VAL 33 HG13 VAL 33 10.309 -9.119 3.043 266 1HG2 VAL 33 HG21 VAL 33 10.556 -7.274 4.733 267 2HG2 VAL 33 HG22 VAL 33 9.728 -7.678 6.236 268 3HG2 VAL 33 HG23 VAL 33 9.028 -6.491 5.136 269 H CYS 34 HN CYS 34 6.017 -8.725 2.365 270 HA CYS 34 HA CYS 34 5.064 -11.379 3.386 271 1HB CYS 34 HB2 CYS 34 3.908 -9.275 1.545 272 2HB CYS 34 HB1 CYS 34 3.262 -10.917 1.587 273 HG CYS 34 HG CYS 34 3.460 -9.557 4.345 274 H GLU 35 HN GLU 35 6.078 -13.054 2.404 275 HA GLU 35 HA GLU 35 7.907 -12.873 0.248 276 1HB GLU 35 HB2 GLU 35 6.234 -15.202 1.242 277 2HB GLU 35 HB1 GLU 35 7.739 -15.335 0.330 278 1HG GLU 35 HG2 GLU 35 8.752 -13.870 2.229 279 2HG GLU 35 HG1 GLU 35 7.324 -14.345 3.147 280 H SER 36 HN SER 36 4.420 -13.323 0.232 281 HA SER 36 HA SER 36 4.514 -13.532 -2.762 282 1HB SER 36 HB2 SER 36 2.254 -14.610 -1.141 283 2HB SER 36 HB1 SER 36 2.960 -15.236 -2.630 284 HG SER 36 HG SER 36 4.622 -16.087 -1.485 285 H GLY 37 HN GLY 37 1.843 -13.222 -3.296 286 1HA GLY 37 HA2 GLY 37 1.330 -10.410 -2.441 287 2HA GLY 37 HA1 GLY 37 0.613 -11.195 -3.856 288 H GLU 38 HN GLU 38 0.208 -13.669 -2.337 289 HA GLU 38 HA GLU 38 -2.469 -13.226 -1.340 290 1HB GLU 38 HB2 GLU 38 -0.447 -15.420 -1.638 291 2HB GLU 38 HB1 GLU 38 -1.787 -15.698 -0.537 292 1HG GLU 38 HG2 GLU 38 -2.131 -14.803 -3.408 293 2HG GLU 38 HG1 GLU 38 -2.221 -16.484 -2.889 294 H MET 39 HN MET 39 0.724 -13.843 0.038 295 HA MET 39 HA MET 39 0.014 -14.039 2.777 296 1HB MET 39 HB2 MET 39 2.496 -12.943 1.411 297 2HB MET 39 HB1 MET 39 2.421 -13.484 3.088 298 1HG MET 39 HG2 MET 39 1.798 -15.227 0.687 299 2HG MET 39 HG1 MET 39 3.330 -15.238 1.560 300 1HE MET 39 HE1 MET 39 3.566 -15.654 4.054 301 2HE MET 39 HE2 MET 39 2.319 -16.271 5.133 302 3HE MET 39 HE3 MET 39 2.213 -14.620 4.534 303 H LEU 40 HN LEU 40 0.487 -11.324 0.640 304 HA LEU 40 HA LEU 40 0.638 -9.221 2.601 305 1HB LEU 40 HB2 LEU 40 1.212 -9.364 0.057 306 2HB LEU 40 HB1 LEU 40 -0.500 -9.043 -0.195 307 HG LEU 40 HG LEU 40 0.592 -6.921 -0.261 308 1HD1 LEU 40 HD11 LEU 40 -1.486 -7.225 1.222 309 2HD1 LEU 40 HD12 LEU 40 -0.532 -5.764 1.468 310 3HD1 LEU 40 HD13 LEU 40 -0.373 -7.115 2.588 311 1HD2 LEU 40 HD21 LEU 40 2.695 -7.730 0.820 312 2HD2 LEU 40 HD22 LEU 40 1.882 -7.661 2.383 313 3HD2 LEU 40 HD23 LEU 40 2.152 -6.182 1.461 314 H LEU 41 HN LEU 41 -2.021 -10.701 0.781 315 HA LEU 41 HA LEU 41 -4.103 -8.952 1.647 316 1HB LEU 41 HB2 LEU 41 -4.111 -11.889 0.883 317 2HB LEU 41 HB1 LEU 41 -5.519 -10.830 0.865 318 HG LEU 41 HG LEU 41 -2.997 -10.376 -0.750 319 1HD1 LEU 41 HD11 LEU 41 -3.852 -11.856 -2.205 320 2HD1 LEU 41 HD12 LEU 41 -5.211 -10.759 -2.431 321 3HD1 LEU 41 HD13 LEU 41 -5.310 -12.047 -1.229 322 1HD2 LEU 41 HD21 LEU 41 -4.060 -8.283 -0.273 323 2HD2 LEU 41 HD22 LEU 41 -5.662 -8.954 -0.590 324 3HD2 LEU 41 HD23 LEU 41 -4.525 -8.722 -1.919 325 H GLU 42 HN GLU 42 -2.922 -12.056 2.974 326 HA GLU 42 HA GLU 42 -4.821 -12.316 5.073 327 1HB GLU 42 HB2 GLU 42 -2.920 -13.866 4.097 328 2HB GLU 42 HB1 GLU 42 -1.926 -13.109 5.340 329 1HG GLU 42 HG2 GLU 42 -3.438 -13.846 7.084 330 2HG GLU 42 HG1 GLU 42 -4.583 -14.456 5.889 331 H TYR 43 HN TYR 43 -1.662 -10.617 4.972 332 HA TYR 43 HA TYR 43 -1.639 -9.839 7.730 333 1HB TYR 43 HB2 TYR 43 0.354 -9.665 6.392 334 2HB TYR 43 HB1 TYR 43 -0.464 -8.641 5.206 335 HD1 TYR 43 HD1 TYR 43 -0.751 -6.289 5.563 336 HD2 TYR 43 HD2 TYR 43 0.783 -8.783 8.707 337 HE1 TYR 43 HE1 TYR 43 -0.192 -4.272 6.893 338 HE2 TYR 43 HE2 TYR 43 1.348 -6.764 10.031 339 HH TYR 43 HH TYR 43 0.305 -4.233 10.030 340 H ALA 44 HN ALA 44 -2.958 -8.243 4.829 341 HA ALA 44 HA ALA 44 -3.891 -5.931 6.380 342 1HB ALA 44 HB1 ALA 44 -3.019 -6.237 3.883 343 2HB ALA 44 HB2 ALA 44 -4.221 -5.006 4.277 344 3HB ALA 44 HB3 ALA 44 -4.728 -6.541 3.569 345 H GLN 45 HN GLN 45 -5.357 -8.833 4.912 346 HA GLN 45 HA GLN 45 -8.076 -8.233 4.942 347 1HB GLN 45 HB2 GLN 45 -6.428 -10.661 5.563 348 2HB GLN 45 HB1 GLN 45 -8.182 -10.742 5.750 349 1HG GLN 45 HG2 GLN 45 -8.564 -10.228 3.488 350 2HG GLN 45 HG1 GLN 45 -6.915 -9.653 3.255 351 1HE2 GLN 45 HE21 GLN 45 -7.424 -11.426 1.392 352 2HE2 GLN 45 HE22 GLN 45 -6.855 -12.982 1.752 353 H THR 46 HN THR 46 -5.965 -8.566 7.675 354 HA THR 46 HA THR 46 -8.339 -8.481 9.501 355 HB THR 46 HB THR 46 -7.085 -9.846 10.940 356 HG1 THR 46 HG1 THR 46 -4.846 -9.883 10.907 357 1HG2 THR 46 HG21 THR 46 -6.421 -11.680 9.629 358 2HG2 THR 46 HG22 THR 46 -5.707 -10.653 8.383 359 3HG2 THR 46 HG23 THR 46 -7.460 -10.792 8.513 360 H HIS 47 HN HIS 47 -5.905 -6.619 8.181 361 HA HIS 47 HA HIS 47 -6.028 -4.684 10.456 362 1HB HIS 47 HB2 HIS 47 -3.670 -5.654 8.814 363 2HB HIS 47 HB1 HIS 47 -3.594 -4.233 9.862 364 HD1 HIS 47 HD1 HIS 47 -5.637 -5.679 11.967 365 HD2 HIS 47 HD2 HIS 47 -1.950 -7.098 10.641 366 HE1 HIS 47 HE1 HIS 47 -4.837 -7.322 13.713 367 H ARG 48 HN ARG 48 -7.318 -5.027 7.656 368 HA ARG 48 HA ARG 48 -6.421 -3.268 5.702 369 1HB ARG 48 HB2 ARG 48 -9.266 -2.899 6.495 370 2HB ARG 48 HB1 ARG 48 -8.587 -3.260 4.914 371 1HG ARG 48 HG2 ARG 48 -8.130 -5.600 5.756 372 2HG ARG 48 HG1 ARG 48 -9.072 -5.191 7.191 373 1HD ARG 48 HD2 ARG 48 -10.862 -4.412 5.390 374 2HD ARG 48 HD1 ARG 48 -9.998 -5.575 4.367 375 HE ARG 48 HE ARG 48 -10.316 -6.914 6.775 376 1HH1 ARG 48 HH11 ARG 48 -12.383 -5.265 4.557 377 2HH1 ARG 48 HH12 ARG 48 -13.744 -6.290 4.861 378 1HH2 ARG 48 HH21 ARG 48 -12.082 -8.255 7.186 379 2HH2 ARG 48 HH22 ARG 48 -13.574 -7.987 6.345 380 H ASP 49 HN ASP 49 -8.383 -2.395 8.517 381 HA ASP 49 HA ASP 49 -8.101 0.479 8.033 382 1HB ASP 49 HB2 ASP 49 -9.176 -1.148 10.358 383 2HB ASP 49 HB1 ASP 49 -9.421 0.586 10.132 384 H GLN 50 HN GLN 50 -5.932 -1.736 9.185 385 HA GLN 50 HA GLN 50 -4.754 0.189 11.157 386 1HB GLN 50 HB2 GLN 50 -4.426 -2.811 10.814 387 2HB GLN 50 HB1 GLN 50 -3.611 -1.841 12.041 388 1HG GLN 50 HG2 GLN 50 -5.864 -1.116 12.878 389 2HG GLN 50 HG1 GLN 50 -6.598 -2.258 11.749 390 1HE2 GLN 50 HE21 GLN 50 -7.391 -3.749 13.339 391 2HE2 GLN 50 HE22 GLN 50 -6.360 -4.654 14.338 392 H ILE 51 HN ILE 51 -4.362 -1.128 8.018 393 HA ILE 51 HA ILE 51 -1.421 -0.981 8.012 394 HB ILE 51 HB ILE 51 -3.393 -1.170 5.708 395 1HG1 ILE 51 HG12 ILE 51 -3.922 -3.104 6.886 396 2HG1 ILE 51 HG11 ILE 51 -2.577 -3.674 5.913 397 1HG2 ILE 51 HG21 ILE 51 -0.469 -1.216 5.980 398 2HG2 ILE 51 HG22 ILE 51 -1.462 -0.925 4.550 399 3HG2 ILE 51 HG23 ILE 51 -1.117 -2.577 5.066 400 1HD1 ILE 51 HD11 ILE 51 -2.033 -4.436 8.074 401 2HD1 ILE 51 HD12 ILE 51 -2.590 -2.947 8.839 402 3HD1 ILE 51 HD13 ILE 51 -1.088 -2.955 7.915 403 H ASP 52 HN ASP 52 -0.451 0.996 7.983 404 HA ASP 52 HA ASP 52 -1.907 3.404 7.244 405 1HB ASP 52 HB2 ASP 52 0.936 2.744 8.051 406 2HB ASP 52 HB1 ASP 52 0.386 4.395 7.753 407 H CYS 53 HN CYS 53 0.584 1.379 5.710 408 HA CYS 53 HA CYS 53 0.034 2.763 3.133 409 1HB CYS 53 HB2 CYS 53 1.982 3.701 4.728 410 2HB CYS 53 HB1 CYS 53 2.883 2.405 3.942 411 HG CYS 53 HG CYS 53 1.576 4.793 2.411 412 H LEU 54 HN LEU 54 0.418 1.381 1.331 413 HA LEU 54 HA LEU 54 1.544 -1.322 2.042 414 1HB LEU 54 HB2 LEU 54 -0.973 -0.937 1.424 415 2HB LEU 54 HB1 LEU 54 -0.361 -0.821 -0.230 416 HG LEU 54 HG LEU 54 0.294 -3.113 1.633 417 1HD1 LEU 54 HD11 LEU 54 -1.716 -3.120 -0.625 418 2HD1 LEU 54 HD12 LEU 54 -2.164 -2.908 1.068 419 3HD1 LEU 54 HD13 LEU 54 -1.401 -4.406 0.539 420 1HD2 LEU 54 HD21 LEU 54 0.463 -3.895 -1.047 421 2HD2 LEU 54 HD22 LEU 54 1.818 -3.536 0.022 422 3HD2 LEU 54 HD23 LEU 54 1.160 -2.272 -1.018 423 H ILE 55 HN ILE 55 3.343 -1.937 0.855 424 HA ILE 55 HA ILE 55 4.153 -0.140 -1.395 425 HB ILE 55 HB ILE 55 5.669 -2.351 0.006 426 1HG1 ILE 55 HG12 ILE 55 5.636 0.600 0.672 427 2HG1 ILE 55 HG11 ILE 55 4.768 -0.631 1.590 428 1HG2 ILE 55 HG21 ILE 55 6.868 -1.743 -1.922 429 2HG2 ILE 55 HG22 ILE 55 7.572 -0.705 -0.683 430 3HG2 ILE 55 HG23 ILE 55 6.377 -0.053 -1.807 431 1HD1 ILE 55 HD11 ILE 55 7.342 0.133 2.099 432 2HD1 ILE 55 HD12 ILE 55 7.590 -1.271 1.065 433 3HD1 ILE 55 HD13 ILE 55 6.657 -1.424 2.553 434 H LEU 56 HN LEU 56 4.071 -0.892 -3.490 435 HA LEU 56 HA LEU 56 3.752 -3.846 -3.866 436 1HB LEU 56 HB2 LEU 56 2.208 -1.520 -5.008 437 2HB LEU 56 HB1 LEU 56 2.181 -3.113 -5.758 438 HG LEU 56 HG LEU 56 1.389 -2.457 -2.909 439 1HD1 LEU 56 HD11 LEU 56 -0.719 -3.730 -4.112 440 2HD1 LEU 56 HD12 LEU 56 -0.059 -2.801 -5.458 441 3HD1 LEU 56 HD13 LEU 56 -0.561 -1.979 -3.979 442 1HD2 LEU 56 HD21 LEU 56 2.025 -5.003 -4.322 443 2HD2 LEU 56 HD22 LEU 56 0.607 -5.013 -3.275 444 3HD2 LEU 56 HD23 LEU 56 2.186 -4.595 -2.611 445 H VAL 57 HN VAL 57 4.565 -4.677 -5.799 446 HA VAL 57 HA VAL 57 6.410 -2.853 -7.302 447 HB VAL 57 HB VAL 57 6.549 -5.785 -6.511 448 1HG1 VAL 57 HG11 VAL 57 7.611 -6.025 -8.519 449 2HG1 VAL 57 HG12 VAL 57 8.958 -5.280 -7.661 450 3HG1 VAL 57 HG13 VAL 57 7.913 -4.293 -8.682 451 1HG2 VAL 57 HG21 VAL 57 7.974 -3.262 -5.729 452 2HG2 VAL 57 HG22 VAL 57 8.848 -4.792 -5.663 453 3HG2 VAL 57 HG23 VAL 57 7.380 -4.575 -4.706 454 H ALA 58 HN ALA 58 5.869 -2.705 -9.472 455 HA ALA 58 HA ALA 58 3.655 -4.363 -10.503 456 1HB ALA 58 HB1 ALA 58 5.219 -2.368 -12.102 457 2HB ALA 58 HB2 ALA 58 4.225 -1.792 -10.762 458 3HB ALA 58 HB3 ALA 58 3.483 -2.676 -12.095 459 H ALA 59 HN ALA 59 6.802 -4.992 -10.123 460 HA ALA 59 HA ALA 59 7.450 -5.968 -12.828 461 1HB ALA 59 HB1 ALA 59 9.137 -6.834 -10.621 462 2HB ALA 59 HB2 ALA 59 8.785 -5.110 -10.514 463 3HB ALA 59 HB3 ALA 59 9.534 -5.765 -11.969 464 H ASN 60 HN ASN 60 5.402 -7.056 -10.509 465 HA ASN 60 HA ASN 60 6.249 -9.896 -10.598 466 1HB ASN 60 HB2 ASN 60 4.336 -8.170 -9.070 467 2HB ASN 60 HB1 ASN 60 4.038 -9.908 -9.113 468 1HD2 ASN 60 HD21 ASN 60 5.468 -7.642 -7.220 469 2HD2 ASN 60 HD22 ASN 60 6.734 -8.551 -6.549 470 HA PRO 61 HA PRO 61 3.487 -11.021 -13.777 471 1HB PRO 61 HB2 PRO 61 2.487 -13.408 -12.879 472 2HB PRO 61 HB1 PRO 61 4.141 -13.206 -13.489 473 1HG PRO 61 HG2 PRO 61 3.162 -13.349 -10.680 474 2HG PRO 61 HG1 PRO 61 4.640 -14.009 -11.395 475 1HD PRO 61 HD2 PRO 61 4.576 -11.726 -9.903 476 2HD PRO 61 HD1 PRO 61 5.787 -12.039 -11.167 477 H SER 62 HN SER 62 1.581 -12.526 -11.213 478 HA SER 62 HA SER 62 -0.810 -11.086 -12.155 479 1HB SER 62 HB2 SER 62 -1.857 -12.655 -10.440 480 2HB SER 62 HB1 SER 62 -0.970 -13.440 -11.743 481 HG SER 62 HG SER 62 0.446 -12.720 -9.452 482 H PHE 63 HN PHE 63 1.239 -9.485 -10.768 483 HA PHE 63 HA PHE 63 0.600 -8.976 -8.045 484 1HB PHE 63 HB2 PHE 63 2.569 -8.004 -8.715 485 2HB PHE 63 HB1 PHE 63 1.955 -7.619 -10.318 486 HD1 PHE 63 HD1 PHE 63 1.386 -6.708 -6.721 487 HD2 PHE 63 HD2 PHE 63 1.456 -5.398 -10.808 488 HE1 PHE 63 HE1 PHE 63 0.890 -4.403 -5.993 489 HE2 PHE 63 HE2 PHE 63 0.968 -3.088 -10.082 490 HZ PHE 63 HZ PHE 63 0.679 -2.585 -7.669 491 H ARG 64 HN ARG 64 -0.682 -7.459 -11.012 492 HA ARG 64 HA ARG 64 -2.341 -5.524 -9.787 493 1HB ARG 64 HB2 ARG 64 -2.220 -7.035 -12.355 494 2HB ARG 64 HB1 ARG 64 -3.694 -6.126 -12.019 495 1HG ARG 64 HG2 ARG 64 -2.427 -4.468 -13.031 496 2HG ARG 64 HG1 ARG 64 -1.968 -4.226 -11.345 497 1HD ARG 64 HD2 ARG 64 0.184 -4.557 -11.956 498 2HD ARG 64 HD1 ARG 64 -0.233 -6.237 -12.342 499 HE ARG 64 HE ARG 64 -1.084 -4.461 -14.457 500 1HH1 ARG 64 HH11 ARG 64 1.620 -6.095 -13.061 501 2HH1 ARG 64 HH12 ARG 64 2.560 -6.045 -14.512 502 1HH2 ARG 64 HH21 ARG 64 0.145 -4.400 -16.355 503 2HH2 ARG 64 HH22 ARG 64 1.731 -5.096 -16.363 504 H ALA 65 HN ALA 65 -2.924 -8.973 -10.411 505 HA ALA 65 HA ALA 65 -5.717 -8.995 -9.699 506 1HB ALA 65 HB1 ALA 65 -5.447 -11.322 -9.902 507 2HB ALA 65 HB2 ALA 65 -3.807 -11.279 -9.252 508 3HB ALA 65 HB3 ALA 65 -4.122 -10.712 -10.893 509 H VAL 66 HN VAL 66 -2.721 -9.400 -7.830 510 HA VAL 66 HA VAL 66 -3.922 -10.159 -5.326 511 HB VAL 66 HB VAL 66 -1.387 -8.754 -6.162 512 1HG1 VAL 66 HG11 VAL 66 -0.907 -8.350 -4.001 513 2HG1 VAL 66 HG12 VAL 66 -1.127 -10.062 -3.629 514 3HG1 VAL 66 HG13 VAL 66 -2.499 -8.957 -3.546 515 1HG2 VAL 66 HG21 VAL 66 -0.474 -11.072 -5.449 516 2HG2 VAL 66 HG22 VAL 66 -1.349 -10.972 -6.976 517 3HG2 VAL 66 HG23 VAL 66 -2.153 -11.601 -5.539 518 H VAL 67 HN VAL 67 -2.954 -7.005 -6.707 519 HA VAL 67 HA VAL 67 -3.631 -5.391 -4.447 520 HB VAL 67 HB VAL 67 -3.930 -4.581 -7.347 521 1HG1 VAL 67 HG11 VAL 67 -2.834 -2.492 -6.370 522 2HG1 VAL 67 HG12 VAL 67 -3.086 -3.216 -4.784 523 3HG1 VAL 67 HG13 VAL 67 -4.471 -2.833 -5.809 524 1HG2 VAL 67 HG21 VAL 67 -1.320 -4.010 -6.715 525 2HG2 VAL 67 HG22 VAL 67 -1.837 -5.405 -7.669 526 3HG2 VAL 67 HG23 VAL 67 -1.541 -5.580 -5.937 527 H GLN 68 HN GLN 68 -5.532 -6.428 -7.284 528 HA GLN 68 HA GLN 68 -7.908 -4.974 -6.712 529 1HB GLN 68 HB2 GLN 68 -8.629 -6.117 -8.566 530 2HB GLN 68 HB1 GLN 68 -6.948 -6.640 -8.660 531 1HG GLN 68 HG2 GLN 68 -7.643 -8.596 -7.150 532 2HG GLN 68 HG1 GLN 68 -9.303 -8.141 -7.508 533 1HE2 GLN 68 HE21 GLN 68 -7.918 -7.225 -10.289 534 2HE2 GLN 68 HE22 GLN 68 -7.957 -8.676 -11.165 535 H GLN 69 HN GLN 69 -6.720 -8.104 -5.530 536 HA GLN 69 HA GLN 69 -9.077 -8.986 -4.194 537 1HB GLN 69 HB2 GLN 69 -6.954 -10.258 -4.667 538 2HB GLN 69 HB1 GLN 69 -6.175 -9.341 -3.378 539 1HG GLN 69 HG2 GLN 69 -6.916 -11.412 -2.402 540 2HG GLN 69 HG1 GLN 69 -8.011 -10.156 -1.830 541 1HE2 GLN 69 HE21 GLN 69 -9.934 -11.384 -1.617 542 2HE2 GLN 69 HE22 GLN 69 -10.675 -12.200 -2.908 543 H LEU 70 HN LEU 70 -6.404 -6.853 -3.113 544 HA LEU 70 HA LEU 70 -7.264 -6.500 -0.412 545 1HB LEU 70 HB2 LEU 70 -5.664 -4.989 -2.445 546 2HB LEU 70 HB1 LEU 70 -6.148 -4.124 -0.988 547 HG LEU 70 HG LEU 70 -5.170 -6.755 -0.284 548 1HD1 LEU 70 HD11 LEU 70 -3.029 -5.064 -1.534 549 2HD1 LEU 70 HD12 LEU 70 -3.945 -6.188 -2.539 550 3HD1 LEU 70 HD13 LEU 70 -3.016 -6.789 -1.164 551 1HD2 LEU 70 HD21 LEU 70 -3.841 -4.083 0.225 552 2HD2 LEU 70 HD22 LEU 70 -3.854 -5.508 1.263 553 3HD2 LEU 70 HD23 LEU 70 -5.318 -4.554 1.057 554 H CYS 71 HN CYS 71 -8.041 -4.609 -3.353 555 HA CYS 71 HA CYS 71 -9.930 -2.828 -2.114 556 1HB CYS 71 HB2 CYS 71 -9.545 -3.876 -4.932 557 2HB CYS 71 HB1 CYS 71 -10.664 -2.577 -4.531 558 HG CYS 71 HG CYS 71 -7.811 -2.120 -5.033 559 H PHE 72 HN PHE 72 -10.218 -6.018 -3.632 560 HA PHE 72 HA PHE 72 -13.012 -6.267 -3.861 561 1HB PHE 72 HB2 PHE 72 -11.202 -7.825 -4.647 562 2HB PHE 72 HB1 PHE 72 -11.002 -8.366 -2.979 563 HD1 PHE 72 HD1 PHE 72 -12.968 -9.436 -1.783 564 HD2 PHE 72 HD2 PHE 72 -12.968 -8.656 -6.009 565 HE1 PHE 72 HE1 PHE 72 -14.853 -11.024 -2.078 566 HE2 PHE 72 HE2 PHE 72 -14.853 -10.244 -6.301 567 HZ PHE 72 HZ PHE 72 -15.795 -11.427 -4.337 568 H GLU 73 HN GLU 73 -10.930 -6.789 -1.008 569 HA GLU 73 HA GLU 73 -13.267 -7.480 0.671 570 1HB GLU 73 HB2 GLU 73 -10.368 -7.016 1.428 571 2HB GLU 73 HB1 GLU 73 -11.575 -7.927 2.335 572 1HG GLU 73 HG2 GLU 73 -11.575 -9.060 -0.236 573 2HG GLU 73 HG1 GLU 73 -9.875 -8.813 0.160 574 H GLY 74 HN GLY 74 -11.563 -4.674 -0.312 575 1HA GLY 74 HA2 GLY 74 -12.482 -2.474 0.236 576 2HA GLY 74 HA1 GLY 74 -12.956 -3.113 1.809 577 H VAL 75 HN VAL 75 -9.831 -4.191 1.000 578 HA VAL 75 HA VAL 75 -8.678 -2.475 3.071 579 HB VAL 75 HB VAL 75 -7.271 -4.322 1.121 580 1HG1 VAL 75 HG11 VAL 75 -5.826 -4.572 3.272 581 2HG1 VAL 75 HG12 VAL 75 -6.629 -3.092 3.800 582 3HG1 VAL 75 HG13 VAL 75 -5.658 -3.090 2.327 583 1HG2 VAL 75 HG21 VAL 75 -9.264 -5.339 2.401 584 2HG2 VAL 75 HG22 VAL 75 -8.308 -5.073 3.858 585 3HG2 VAL 75 HG23 VAL 75 -7.706 -6.142 2.591 586 H VAL 76 HN VAL 76 -8.679 -0.329 2.331 587 HA VAL 76 HA VAL 76 -7.117 0.181 -0.176 588 HB VAL 76 HB VAL 76 -9.104 2.048 1.132 589 1HG1 VAL 76 HG11 VAL 76 -7.611 1.861 -1.431 590 2HG1 VAL 76 HG12 VAL 76 -8.127 3.284 -0.531 591 3HG1 VAL 76 HG13 VAL 76 -9.281 2.420 -1.544 592 1HG2 VAL 76 HG21 VAL 76 -10.725 0.535 0.666 593 2HG2 VAL 76 HG22 VAL 76 -9.615 -0.491 -0.245 594 3HG2 VAL 76 HG23 VAL 76 -10.403 0.879 -1.032 595 H VAL 77 HN VAL 77 -5.198 1.179 0.160 596 HA VAL 77 HA VAL 77 -4.844 3.004 2.504 597 HB VAL 77 HB VAL 77 -2.588 1.716 2.761 598 1HG1 VAL 77 HG11 VAL 77 -3.522 0.326 4.416 599 2HG1 VAL 77 HG12 VAL 77 -5.024 0.114 3.520 600 3HG1 VAL 77 HG13 VAL 77 -4.665 1.663 4.285 601 1HG2 VAL 77 HG21 VAL 77 -4.260 -0.358 1.296 602 2HG2 VAL 77 HG22 VAL 77 -2.690 -0.647 2.036 603 3HG2 VAL 77 HG23 VAL 77 -2.825 0.433 0.647 604 HA PRO 78 HA PRO 78 -2.311 5.227 -0.337 605 1HB PRO 78 HB2 PRO 78 -0.142 5.915 1.210 606 2HB PRO 78 HB1 PRO 78 -1.714 6.731 1.328 607 1HG PRO 78 HG2 PRO 78 -0.551 4.593 3.040 608 2HG PRO 78 HG1 PRO 78 -1.484 6.026 3.506 609 1HD PRO 78 HD2 PRO 78 -2.594 3.568 3.396 610 2HD PRO 78 HD1 PRO 78 -3.512 5.039 2.994 611 H ALA 79 HN ALA 79 -1.877 3.333 -1.588 612 HA ALA 79 HA ALA 79 0.430 1.658 -0.848 613 1HB ALA 79 HB1 ALA 79 -1.864 1.622 -2.766 614 2HB ALA 79 HB2 ALA 79 -1.378 0.405 -1.586 615 3HB ALA 79 HB3 ALA 79 -0.478 0.584 -3.091 616 H ILE 80 HN ILE 80 2.433 2.083 -1.622 617 HA ILE 80 HA ILE 80 2.760 3.960 -3.906 618 HB ILE 80 HB ILE 80 4.837 2.691 -2.088 619 1HG1 ILE 80 HG12 ILE 80 3.537 5.399 -1.710 620 2HG1 ILE 80 HG11 ILE 80 2.932 3.952 -0.906 621 1HG2 ILE 80 HG21 ILE 80 4.805 4.775 -4.193 622 2HG2 ILE 80 HG22 ILE 80 6.132 3.753 -3.645 623 3HG2 ILE 80 HG23 ILE 80 5.700 5.201 -2.737 624 1HD1 ILE 80 HD11 ILE 80 4.501 5.156 0.559 625 2HD1 ILE 80 HD12 ILE 80 5.750 5.051 -0.681 626 3HD1 ILE 80 HD13 ILE 80 5.159 3.587 0.103 627 H VAL 81 HN VAL 81 3.097 3.076 -5.918 628 HA VAL 81 HA VAL 81 3.766 0.181 -6.090 629 HB VAL 81 HB VAL 81 2.699 2.205 -8.081 630 1HG1 VAL 81 HG11 VAL 81 3.991 -0.134 -8.674 631 2HG1 VAL 81 HG12 VAL 81 2.738 0.589 -9.682 632 3HG1 VAL 81 HG13 VAL 81 2.322 -0.688 -8.541 633 1HG2 VAL 81 HG21 VAL 81 1.476 0.742 -5.923 634 2HG2 VAL 81 HG22 VAL 81 0.845 0.129 -7.456 635 3HG2 VAL 81 HG23 VAL 81 0.713 1.847 -7.066 636 H VAL 82 HN VAL 82 5.598 -0.547 -7.119 637 HA VAL 82 HA VAL 82 7.557 1.525 -8.048 638 HB VAL 82 HB VAL 82 8.107 -1.313 -7.156 639 1HG1 VAL 82 HG11 VAL 82 9.721 1.226 -7.445 640 2HG1 VAL 82 HG12 VAL 82 10.010 -0.343 -8.197 641 3HG1 VAL 82 HG13 VAL 82 10.289 -0.127 -6.470 642 1HG2 VAL 82 HG21 VAL 82 7.109 -0.551 -5.212 643 2HG2 VAL 82 HG22 VAL 82 7.483 1.137 -5.557 644 3HG2 VAL 82 HG23 VAL 82 8.742 0.056 -4.966 645 H GLY 83 HN GLY 83 8.745 1.062 -9.988 646 1HA GLY 83 HA2 GLY 83 9.248 -0.074 -12.003 647 2HA GLY 83 HA1 GLY 83 8.198 -1.386 -11.489 648 H ASP 84 HN ASP 84 7.258 2.043 -11.762 649 HA ASP 84 HA ASP 84 4.936 1.301 -13.380 650 1HB ASP 84 HB2 ASP 84 4.486 3.701 -13.281 651 2HB ASP 84 HB1 ASP 84 5.024 3.155 -11.693 652 H ARG 85 HN ARG 85 4.570 2.478 -15.545 653 HA ARG 85 HA ARG 85 7.120 2.451 -17.129 654 1HB ARG 85 HB2 ARG 85 4.251 1.738 -17.788 655 2HB ARG 85 HB1 ARG 85 5.522 1.852 -19.007 656 1HG ARG 85 HG2 ARG 85 6.847 0.185 -17.655 657 2HG ARG 85 HG1 ARG 85 5.414 -0.039 -16.648 658 1HD ARG 85 HD2 ARG 85 5.046 -0.215 -19.607 659 2HD ARG 85 HD1 ARG 85 5.835 -1.579 -18.790 660 HE ARG 85 HE ARG 85 3.431 -0.607 -17.423 661 1HH1 ARG 85 HH11 ARG 85 4.772 -2.717 -19.809 662 2HH1 ARG 85 HH12 ARG 85 3.457 -3.840 -19.742 663 1HH2 ARG 85 HH21 ARG 85 1.710 -2.057 -17.325 664 2HH2 ARG 85 HH22 ARG 85 1.718 -3.467 -18.331 665 H ASP 86 HN ASP 86 7.101 3.887 -19.037 666 HA ASP 86 HA ASP 86 5.803 6.493 -18.403 667 1HB ASP 86 HB2 ASP 86 8.230 5.502 -19.809 668 2HB ASP 86 HB1 ASP 86 7.496 6.963 -20.470 669 H SER 87 HN SER 87 4.744 3.898 -19.919 670 HA SER 87 HA SER 87 4.252 4.497 -22.625 671 1HB SER 87 HB2 SER 87 2.522 2.864 -22.419 672 2HB SER 87 HB1 SER 87 3.721 2.421 -21.207 673 HG SER 87 HG SER 87 1.190 3.586 -20.908 674 H GLU 88 HN GLU 88 3.376 6.351 -23.423 675 HA GLU 88 HA GLU 88 1.580 7.992 -21.760 676 1HB GLU 88 HB2 GLU 88 1.985 9.622 -23.529 677 2HB GLU 88 HB1 GLU 88 3.512 8.865 -23.086 678 1HG GLU 88 HG2 GLU 88 2.287 7.267 -25.116 679 2HG GLU 88 HG1 GLU 88 2.272 8.947 -25.654 680 H ASP 89 HN ASP 89 0.978 5.321 -23.524 681 HA ASP 89 HA ASP 89 -1.130 6.171 -25.318 682 1HB ASP 89 HB2 ASP 89 -0.441 3.541 -23.970 683 2HB ASP 89 HB1 ASP 89 -1.677 3.705 -25.220 684 HA PRO 90 HA PRO 90 -4.261 6.761 -22.271 685 1HB PRO 90 HB2 PRO 90 -6.426 6.768 -23.941 686 2HB PRO 90 HB1 PRO 90 -5.294 8.125 -23.814 687 1HG PRO 90 HG2 PRO 90 -5.543 6.066 -25.921 688 2HG PRO 90 HG1 PRO 90 -5.022 7.754 -26.039 689 1HD PRO 90 HD2 PRO 90 -3.344 5.539 -26.040 690 2HD PRO 90 HD1 PRO 90 -2.849 7.214 -25.721 691 H ASP 91 HN ASP 91 -4.324 4.042 -24.499 692 HA ASP 91 HA ASP 91 -6.533 2.620 -23.282 693 1HB ASP 91 HB2 ASP 91 -4.139 1.667 -24.889 694 2HB ASP 91 HB1 ASP 91 -5.623 0.753 -24.626 695 H GLU 92 HN GLU 92 -3.332 3.244 -22.261 696 HA GLU 92 HA GLU 92 -3.447 0.968 -20.304 697 1HB GLU 92 HB2 GLU 92 -1.114 2.424 -21.599 698 2HB GLU 92 HB1 GLU 92 -0.944 1.163 -20.375 699 1HG GLU 92 HG2 GLU 92 -2.322 0.817 -23.054 700 2HG GLU 92 HG1 GLU 92 -0.693 0.256 -22.674 701 HA PRO 93 HA PRO 93 -3.777 4.962 -18.025 702 1HB PRO 93 HB2 PRO 93 -5.657 4.078 -16.255 703 2HB PRO 93 HB1 PRO 93 -6.067 4.713 -17.861 704 1HG PRO 93 HG2 PRO 93 -5.872 1.890 -16.937 705 2HG PRO 93 HG1 PRO 93 -7.040 2.643 -18.032 706 1HD PRO 93 HD2 PRO 93 -4.941 1.129 -18.878 707 2HD PRO 93 HD1 PRO 93 -5.680 2.421 -19.851 708 H ALA 94 HN ALA 94 -1.532 3.835 -17.510 709 HA ALA 94 HA ALA 94 -1.072 2.086 -15.380 710 1HB ALA 94 HB1 ALA 94 0.527 4.605 -15.795 711 2HB ALA 94 HB2 ALA 94 0.502 3.337 -17.019 712 3HB ALA 94 HB3 ALA 94 1.109 2.989 -15.400 713 H LYS 95 HN LYS 95 -2.067 5.477 -15.242 714 HA LYS 95 HA LYS 95 -1.520 5.890 -12.434 715 1HB LYS 95 HB2 LYS 95 -2.834 7.890 -12.763 716 2HB LYS 95 HB1 LYS 95 -1.929 7.618 -14.254 717 1HG LYS 95 HG2 LYS 95 -3.940 6.450 -15.193 718 2HG LYS 95 HG1 LYS 95 -4.831 6.910 -13.742 719 1HD LYS 95 HD2 LYS 95 -5.300 8.878 -14.726 720 2HD LYS 95 HD1 LYS 95 -3.583 9.268 -14.656 721 1HE LYS 95 HE2 LYS 95 -4.810 7.627 -16.891 722 2HE LYS 95 HE1 LYS 95 -4.550 9.381 -16.990 723 1HZ LYS 95 HZ1 LYS 95 -2.202 8.864 -16.214 724 2HZ LYS 95 HZ2 LYS 95 -2.580 8.454 -17.818 725 3HZ LYS 95 HZ3 LYS 95 -2.529 7.251 -16.623 726 H GLU 96 HN GLU 96 -4.103 4.285 -14.173 727 HA GLU 96 HA GLU 96 -5.443 3.746 -11.550 728 1HB GLU 96 HB2 GLU 96 -6.459 5.622 -12.999 729 2HB GLU 96 HB1 GLU 96 -6.927 4.339 -14.115 730 1HG GLU 96 HG2 GLU 96 -8.820 4.459 -12.764 731 2HG GLU 96 HG1 GLU 96 -7.893 3.205 -11.938 732 H GLN 97 HN GLN 97 -4.577 1.581 -11.634 733 HA GLN 97 HA GLN 97 -6.193 -0.338 -13.027 734 1HB GLN 97 HB2 GLN 97 -4.665 -1.042 -14.756 735 2HB GLN 97 HB1 GLN 97 -4.839 0.705 -14.899 736 1HG GLN 97 HG2 GLN 97 -2.726 1.110 -13.892 737 2HG GLN 97 HG1 GLN 97 -2.614 -0.540 -13.278 738 1HE2 GLN 97 HE21 GLN 97 -0.443 -0.389 -14.535 739 2HE2 GLN 97 HE22 GLN 97 -0.477 -0.802 -16.182 740 H LEU 98 HN LEU 98 -3.191 0.426 -11.341 741 HA LEU 98 HA LEU 98 -2.683 -2.385 -10.618 742 1HB LEU 98 HB2 LEU 98 -1.426 0.228 -9.704 743 2HB LEU 98 HB1 LEU 98 -0.743 -1.382 -9.478 744 HG LEU 98 HG LEU 98 -1.240 0.022 -12.117 745 1HD1 LEU 98 HD11 LEU 98 1.250 -0.832 -10.620 746 2HD1 LEU 98 HD12 LEU 98 0.779 0.806 -11.069 747 3HD1 LEU 98 HD13 LEU 98 1.260 -0.348 -12.315 748 1HD2 LEU 98 HD21 LEU 98 0.084 -2.157 -12.864 749 2HD2 LEU 98 HD22 LEU 98 -1.673 -2.185 -12.700 750 3HD2 LEU 98 HD23 LEU 98 -0.654 -2.833 -11.413 751 H TYR 99 HN TYR 99 -3.794 0.613 -9.039 752 HA TYR 99 HA TYR 99 -5.151 -1.002 -6.941 753 1HB TYR 99 HB2 TYR 99 -2.637 -0.163 -6.496 754 2HB TYR 99 HB1 TYR 99 -3.472 1.328 -6.095 755 HD1 TYR 99 HD1 TYR 99 -1.846 -0.502 -4.219 756 HD2 TYR 99 HD2 TYR 99 -6.049 -0.221 -5.075 757 HE1 TYR 99 HE1 TYR 99 -2.363 -1.372 -1.944 758 HE2 TYR 99 HE2 TYR 99 -6.559 -1.090 -2.793 759 HH TYR 99 HH TYR 99 -4.430 -1.185 -0.332 760 H HIS 100 HN HIS 100 -5.290 1.694 -5.451 761 HA HIS 100 HA HIS 100 -7.596 2.765 -6.992 762 1HB HIS 100 HB2 HIS 100 -7.675 4.221 -4.782 763 2HB HIS 100 HB1 HIS 100 -8.193 2.543 -4.755 764 HD2 HIS 100 HD2 HIS 100 -5.005 4.642 -3.651 765 HE1 HIS 100 HE1 HIS 100 -4.930 0.910 -1.670 766 HE2 HIS 100 HE2 HIS 100 -3.799 3.140 -1.920 767 H SER 101 HN SER 101 -7.798 5.236 -6.976 768 HA SER 101 HA SER 101 -5.607 6.412 -8.414 769 1HB SER 101 HB2 SER 101 -8.066 7.011 -8.509 770 2HB SER 101 HB1 SER 101 -7.878 7.787 -6.938 771 HG SER 101 HG SER 101 -6.589 9.294 -7.825 772 H ALA 102 HN ALA 102 -6.113 5.950 -5.069 773 HA ALA 102 HA ALA 102 -4.623 8.295 -4.136 774 1HB ALA 102 HB1 ALA 102 -6.372 6.309 -3.135 775 2HB ALA 102 HB2 ALA 102 -5.680 7.660 -2.242 776 3HB ALA 102 HB3 ALA 102 -4.851 6.104 -2.263 777 H GLU 103 HN GLU 103 -3.916 4.996 -5.059 778 HA GLU 103 HA GLU 103 -1.495 4.528 -3.674 779 1HB GLU 103 HB2 GLU 103 -1.272 2.757 -5.216 780 2HB GLU 103 HB1 GLU 103 -3.005 3.073 -5.236 781 1HG GLU 103 HG2 GLU 103 -2.647 4.578 -7.216 782 2HG GLU 103 HG1 GLU 103 -0.962 4.056 -7.244 783 H LEU 104 HN LEU 104 0.648 5.157 -4.058 784 HA LEU 104 HA LEU 104 1.066 7.255 -6.152 785 1HB LEU 104 HB2 LEU 104 2.036 6.709 -3.411 786 2HB LEU 104 HB1 LEU 104 3.275 7.281 -4.533 787 HG LEU 104 HG LEU 104 1.648 9.119 -5.202 788 1HD1 LEU 104 HD11 LEU 104 0.163 7.777 -2.980 789 2HD1 LEU 104 HD12 LEU 104 -0.455 8.512 -4.460 790 3HD1 LEU 104 HD13 LEU 104 0.052 9.534 -3.113 791 1HD2 LEU 104 HD21 LEU 104 2.320 10.531 -3.388 792 2HD2 LEU 104 HD22 LEU 104 3.603 9.333 -3.575 793 3HD2 LEU 104 HD23 LEU 104 2.421 9.166 -2.274 794 H HIS 105 HN HIS 105 3.004 7.113 -7.460 795 HA HIS 105 HA HIS 105 4.026 4.307 -7.725 796 1HB HIS 105 HB2 HIS 105 3.525 6.576 -9.661 797 2HB HIS 105 HB1 HIS 105 4.526 5.191 -10.101 798 HD1 HIS 105 HD1 HIS 105 2.802 4.286 -11.810 799 HD2 HIS 105 HD2 HIS 105 1.290 4.626 -7.944 800 HE1 HIS 105 HE1 HIS 105 0.608 3.021 -11.784 801 H LEU 106 HN LEU 106 6.271 4.016 -7.816 802 HA LEU 106 HA LEU 106 7.948 6.469 -7.476 803 1HB LEU 106 HB2 LEU 106 7.551 5.421 -5.322 804 2HB LEU 106 HB1 LEU 106 8.026 3.846 -5.968 805 HG LEU 106 HG LEU 106 10.296 4.672 -6.375 806 1HD1 LEU 106 HD11 LEU 106 10.967 6.915 -5.709 807 2HD1 LEU 106 HD12 LEU 106 9.350 7.253 -5.091 808 3HD1 LEU 106 HD13 LEU 106 9.607 7.043 -6.821 809 1HD2 LEU 106 HD21 LEU 106 10.153 3.724 -4.233 810 2HD2 LEU 106 HD22 LEU 106 9.100 5.004 -3.632 811 3HD2 LEU 106 HD23 LEU 106 10.814 5.323 -3.891 812 H GLY 107 HN GLY 107 9.878 6.458 -8.632 813 1HA GLY 107 HA2 GLY 107 10.217 4.660 -10.812 814 2HA GLY 107 HA1 GLY 107 11.472 5.736 -10.197 815 H ILE 108 HN ILE 108 11.589 2.813 -11.052 816 HA ILE 108 HA ILE 108 11.897 1.096 -8.830 817 HB ILE 108 HB ILE 108 13.221 1.288 -11.546 818 1HG1 ILE 108 HG12 ILE 108 11.051 -0.579 -10.556 819 2HG1 ILE 108 HG11 ILE 108 10.700 0.957 -11.354 820 1HG2 ILE 108 HG21 ILE 108 14.649 -0.044 -10.168 821 2HG2 ILE 108 HG22 ILE 108 13.692 -1.157 -11.147 822 3HG2 ILE 108 HG23 ILE 108 13.267 -0.885 -9.455 823 1HD1 ILE 108 HD11 ILE 108 12.647 -0.351 -12.943 824 2HD1 ILE 108 HD12 ILE 108 10.953 -0.060 -13.344 825 3HD1 ILE 108 HD13 ILE 108 11.431 -1.562 -12.548 826 H HIS 109 HN HIS 109 14.293 3.214 -10.448 827 HA HIS 109 HA HIS 109 16.372 2.478 -8.495 828 1HB HIS 109 HB2 HIS 109 17.770 3.859 -9.896 829 2HB HIS 109 HB1 HIS 109 16.689 2.978 -10.978 830 HD1 HIS 109 HD1 HIS 109 17.443 6.406 -9.694 831 HD2 HIS 109 HD2 HIS 109 14.621 4.578 -12.155 832 HE1 HIS 109 HE1 HIS 109 16.205 8.273 -10.873 833 H GLN 110 HN GLN 110 13.688 4.278 -8.221 834 HA GLN 110 HA GLN 110 14.920 6.590 -6.808 835 1HB GLN 110 HB2 GLN 110 12.130 5.861 -7.749 836 2HB GLN 110 HB1 GLN 110 12.477 7.318 -6.817 837 1HG GLN 110 HG2 GLN 110 14.106 8.018 -8.559 838 2HG GLN 110 HG1 GLN 110 13.682 6.590 -9.505 839 1HE2 GLN 110 HE21 GLN 110 12.502 7.455 -11.239 840 2HE2 GLN 110 HE22 GLN 110 11.144 8.457 -11.065 841 H LEU 111 HN LEU 111 14.646 3.619 -5.891 842 HA LEU 111 HA LEU 111 12.783 3.575 -3.705 843 1HB LEU 111 HB2 LEU 111 15.303 2.088 -4.466 844 2HB LEU 111 HB1 LEU 111 14.481 1.733 -2.954 845 HG LEU 111 HG LEU 111 13.881 0.724 -5.545 846 1HD1 LEU 111 HD11 LEU 111 13.563 0.009 -2.928 847 2HD1 LEU 111 HD12 LEU 111 12.861 -0.857 -4.291 848 3HD1 LEU 111 HD13 LEU 111 11.898 0.326 -3.407 849 1HD2 LEU 111 HD21 LEU 111 12.463 2.851 -5.726 850 2HD2 LEU 111 HD22 LEU 111 11.495 2.200 -4.405 851 3HD2 LEU 111 HD23 LEU 111 11.602 1.330 -5.934 852 H GLU 112 HN GLU 112 12.910 5.268 -2.357 853 HA GLU 112 HA GLU 112 14.679 5.464 -0.188 854 1HB GLU 112 HB2 GLU 112 16.088 7.423 -0.971 855 2HB GLU 112 HB1 GLU 112 16.461 5.916 -1.801 856 1HG GLU 112 HG2 GLU 112 14.789 6.631 -3.581 857 2HG GLU 112 HG1 GLU 112 14.787 8.219 -2.809 858 H GLN 113 HN GLN 113 12.723 7.054 -2.592 859 HA GLN 113 HA GLN 113 11.978 9.375 -0.953 860 1HB GLN 113 HB2 GLN 113 11.093 8.110 -3.558 861 2HB GLN 113 HB1 GLN 113 10.289 9.533 -2.896 862 1HG GLN 113 HG2 GLN 113 12.352 10.800 -2.957 863 2HG GLN 113 HG1 GLN 113 13.270 9.364 -3.414 864 1HE2 GLN 113 HE21 GLN 113 13.897 10.712 -5.373 865 2HE2 GLN 113 HE22 GLN 113 12.829 10.769 -6.691 866 H LEU 114 HN LEU 114 11.179 6.099 -1.005 867 HA LEU 114 HA LEU 114 8.478 5.774 -0.703 868 1HB LEU 114 HB2 LEU 114 10.829 4.676 0.836 869 2HB LEU 114 HB1 LEU 114 9.194 4.045 1.044 870 HG LEU 114 HG LEU 114 9.623 4.218 -1.745 871 1HD1 LEU 114 HD11 LEU 114 11.693 2.342 -1.076 872 2HD1 LEU 114 HD12 LEU 114 12.106 3.906 -0.383 873 3HD1 LEU 114 HD13 LEU 114 11.801 3.762 -2.113 874 1HD2 LEU 114 HD21 LEU 114 9.390 2.043 0.324 875 2HD2 LEU 114 HD22 LEU 114 9.684 1.622 -1.365 876 3HD2 LEU 114 HD23 LEU 114 8.232 2.516 -0.917 877 HA PRO 115 HA PRO 115 8.629 7.020 3.949 878 1HB PRO 115 HB2 PRO 115 10.623 8.772 4.669 879 2HB PRO 115 HB1 PRO 115 10.765 7.010 4.828 880 1HG PRO 115 HG2 PRO 115 11.780 8.787 2.650 881 2HG PRO 115 HG1 PRO 115 12.595 7.450 3.483 882 1HD PRO 115 HD2 PRO 115 11.521 7.114 1.065 883 2HD PRO 115 HD1 PRO 115 11.447 5.826 2.284 884 H TYR 116 HN TYR 116 10.110 9.482 1.851 885 HA TYR 116 HA TYR 116 8.346 11.600 2.701 886 1HB TYR 116 HB2 TYR 116 9.963 12.683 1.529 887 2HB TYR 116 HB1 TYR 116 10.602 11.131 0.996 888 HD1 TYR 116 HD1 TYR 116 10.685 10.723 -1.285 889 HD2 TYR 116 HD2 TYR 116 7.733 13.428 0.257 890 HE1 TYR 116 HE1 TYR 116 9.916 11.191 -3.596 891 HE2 TYR 116 HE2 TYR 116 6.961 13.899 -2.049 892 HH TYR 116 HH TYR 116 8.655 12.602 -4.864 893 H GLN 117 HN GLN 117 8.214 9.047 0.301 894 HA GLN 117 HA GLN 117 5.874 10.004 -1.147 895 1HB GLN 117 HB2 GLN 117 7.468 7.463 -0.876 896 2HB GLN 117 HB1 GLN 117 5.933 7.437 -1.741 897 1HG GLN 117 HG2 GLN 117 8.011 9.516 -2.395 898 2HG GLN 117 HG1 GLN 117 8.110 7.896 -3.093 899 1HE2 GLN 117 HE21 GLN 117 6.938 10.913 -3.798 900 2HE2 GLN 117 HE22 GLN 117 5.637 10.485 -4.800 901 H VAL 118 HN VAL 118 6.515 7.749 1.485 902 HA VAL 118 HA VAL 118 3.907 6.699 1.845 903 HB VAL 118 HB VAL 118 6.415 7.070 3.437 904 1HG1 VAL 118 HG11 VAL 118 3.745 6.217 4.572 905 2HG1 VAL 118 HG12 VAL 118 4.839 7.452 5.194 906 3HG1 VAL 118 HG13 VAL 118 5.278 5.748 5.301 907 1HG2 VAL 118 HG21 VAL 118 6.104 4.546 3.537 908 2HG2 VAL 118 HG22 VAL 118 6.314 5.218 1.918 909 3HG2 VAL 118 HG23 VAL 118 4.707 4.764 2.481 910 H ASP 119 HN ASP 119 5.466 9.537 3.473 911 HA ASP 119 HA ASP 119 3.123 10.251 4.980 912 1HB ASP 119 HB2 ASP 119 5.499 11.787 3.889 913 2HB ASP 119 HB1 ASP 119 4.280 12.544 4.915 914 H ALA 120 HN ALA 120 4.269 11.064 1.731 915 HA ALA 120 HA ALA 120 2.176 12.920 1.048 916 1HB ALA 120 HB1 ALA 120 4.524 11.821 -0.054 917 2HB ALA 120 HB2 ALA 120 3.501 13.059 -0.785 918 3HB ALA 120 HB3 ALA 120 3.230 11.357 -1.164 919 H ALA 121 HN ALA 121 2.610 9.414 0.486 920 HA ALA 121 HA ALA 121 0.197 8.946 -0.948 921 1HB ALA 121 HB1 ALA 121 2.172 7.401 -0.608 922 2HB ALA 121 HB2 ALA 121 0.614 6.625 -0.326 923 3HB ALA 121 HB3 ALA 121 1.610 7.130 1.040 924 H LEU 122 HN LEU 122 0.897 8.953 2.549 925 HA LEU 122 HA LEU 122 -1.654 8.143 3.500 926 1HB LEU 122 HB2 LEU 122 0.405 10.100 4.584 927 2HB LEU 122 HB1 LEU 122 -0.910 9.417 5.539 928 HG LEU 122 HG LEU 122 0.975 7.603 4.053 929 1HD1 LEU 122 HD11 LEU 122 2.683 8.436 5.303 930 2HD1 LEU 122 HD12 LEU 122 1.904 7.614 6.654 931 3HD1 LEU 122 HD13 LEU 122 1.587 9.324 6.365 932 1HD2 LEU 122 HD21 LEU 122 0.249 5.998 5.687 933 2HD2 LEU 122 HD22 LEU 122 -1.199 6.839 5.143 934 3HD2 LEU 122 HD23 LEU 122 -0.471 7.255 6.692 935 H ALA 123 HN ALA 123 -0.398 11.446 2.876 936 HA ALA 123 HA ALA 123 -2.843 12.810 3.495 937 1HB ALA 123 HB1 ALA 123 -0.275 13.306 2.078 938 2HB ALA 123 HB2 ALA 123 -1.058 14.259 3.338 939 3HB ALA 123 HB3 ALA 123 -1.601 14.391 1.666 940 H GLU 124 HN GLU 124 -1.463 11.664 0.432 941 HA GLU 124 HA GLU 124 -3.488 12.495 -1.355 942 1HB GLU 124 HB2 GLU 124 -1.248 11.555 -1.901 943 2HB GLU 124 HB1 GLU 124 -1.788 9.977 -1.332 944 1HG GLU 124 HG2 GLU 124 -2.123 9.853 -3.657 945 2HG GLU 124 HG1 GLU 124 -3.722 10.269 -3.039 946 H PHE 125 HN PHE 125 -3.184 9.474 0.531 947 HA PHE 125 HA PHE 125 -5.557 8.225 -0.478 948 1HB PHE 125 HB2 PHE 125 -3.644 7.164 0.734 949 2HB PHE 125 HB1 PHE 125 -4.194 7.947 2.216 950 HD1 PHE 125 HD1 PHE 125 -6.428 7.397 3.166 951 HD2 PHE 125 HD2 PHE 125 -4.763 5.247 -0.156 952 HE1 PHE 125 HE1 PHE 125 -8.074 5.578 3.522 953 HE2 PHE 125 HE2 PHE 125 -6.407 3.424 0.199 954 HZ PHE 125 HZ PHE 125 -8.064 3.590 2.037 955 H LEU 126 HN LEU 126 -4.994 10.180 2.474 956 HA LEU 126 HA LEU 126 -7.666 10.046 3.486 957 1HB LEU 126 HB2 LEU 126 -5.514 12.180 3.681 958 2HB LEU 126 HB1 LEU 126 -6.909 12.052 4.754 959 HG LEU 126 HG LEU 126 -4.808 9.903 4.380 960 1HD1 LEU 126 HD11 LEU 126 -3.957 11.913 5.555 961 2HD1 LEU 126 HD12 LEU 126 -4.091 10.535 6.647 962 3HD1 LEU 126 HD13 LEU 126 -5.309 11.810 6.684 963 1HD2 LEU 126 HD21 LEU 126 -6.354 8.568 5.322 964 2HD2 LEU 126 HD22 LEU 126 -7.469 9.920 5.499 965 3HD2 LEU 126 HD23 LEU 126 -6.284 9.588 6.762 966 H ARG 127 HN ARG 127 -6.084 12.298 1.241 967 HA ARG 127 HA ARG 127 -8.202 14.192 1.019 968 1HB ARG 127 HB2 ARG 127 -5.718 14.184 0.246 969 2HB ARG 127 HB1 ARG 127 -6.333 13.407 -1.213 970 1HG ARG 127 HG2 ARG 127 -7.879 15.289 -1.582 971 2HG ARG 127 HG1 ARG 127 -7.300 16.064 -0.109 972 1HD ARG 127 HD2 ARG 127 -5.829 17.123 -1.510 973 2HD ARG 127 HD1 ARG 127 -4.942 15.589 -1.467 974 HE ARG 127 HE ARG 127 -6.829 15.106 -3.395 975 1HH1 ARG 127 HH11 ARG 127 -4.638 17.715 -2.810 976 2HH1 ARG 127 HH12 ARG 127 -4.410 18.068 -4.489 977 1HH2 ARG 127 HH21 ARG 127 -6.514 15.553 -5.592 978 2HH2 ARG 127 HH22 ARG 127 -5.459 16.845 -6.056 979 H LEU 128 HN LEU 128 -7.634 11.106 -0.669 980 HA LEU 128 HA LEU 128 -10.133 11.542 -2.243 981 1HB LEU 128 HB2 LEU 128 -7.590 10.060 -2.578 982 2HB LEU 128 HB1 LEU 128 -9.028 9.300 -3.257 983 HG LEU 128 HG LEU 128 -9.459 11.117 -4.704 984 1HD1 LEU 128 HD11 LEU 128 -7.896 13.233 -4.394 985 2HD1 LEU 128 HD12 LEU 128 -7.779 12.641 -2.739 986 3HD1 LEU 128 HD13 LEU 128 -9.352 13.057 -3.416 987 1HD2 LEU 128 HD21 LEU 128 -7.404 9.798 -5.294 988 2HD2 LEU 128 HD22 LEU 128 -6.436 11.030 -4.491 989 3HD2 LEU 128 HD23 LEU 128 -7.376 11.448 -5.919 990 H ALA 129 HN ALA 129 -9.348 10.201 0.671 991 HA ALA 129 HA ALA 129 -10.624 7.615 0.481 992 1HB ALA 129 HB1 ALA 129 -10.662 9.106 3.031 993 2HB ALA 129 HB2 ALA 129 -9.079 8.937 2.271 994 3HB ALA 129 HB3 ALA 129 -10.021 7.502 2.677 995 HA PRO 130 HA PRO 130 -11.942 6.275 0.816 996 1HB PRO 130 HB2 PRO 130 -14.046 5.288 -0.625 997 2HB PRO 130 HB1 PRO 130 -14.042 5.366 1.151 998 1HG PRO 130 HG2 PRO 130 -15.368 7.142 -0.822 999 2HG PRO 130 HG1 PRO 130 -15.918 6.616 0.775 1000 1HD PRO 130 HD2 PRO 130 -14.855 9.085 0.234 1001 2HD PRO 130 HD1 PRO 130 -14.851 8.316 1.838 1002 H VAL 131 HN VAL 131 -10.347 6.316 -0.779 1003 HA VAL 131 HA VAL 131 -10.529 7.725 -3.255 1004 HB VAL 131 HB VAL 131 -8.559 6.232 -3.825 1005 1HG1 VAL 131 HG11 VAL 131 -7.394 6.914 -1.475 1006 2HG1 VAL 131 HG12 VAL 131 -8.830 7.929 -1.408 1007 3HG1 VAL 131 HG13 VAL 131 -7.714 8.073 -2.763 1008 1HG2 VAL 131 HG21 VAL 131 -9.806 4.560 -1.946 1009 2HG2 VAL 131 HG22 VAL 131 -8.337 5.126 -1.154 1010 3HG2 VAL 131 HG23 VAL 131 -8.237 4.303 -2.711 1011 H GLU 132 HN GLU 132 -10.651 6.729 -5.439 1012 HA GLU 132 HA GLU 132 -12.795 4.717 -5.556 1013 1HB GLU 132 HB2 GLU 132 -12.873 6.711 -6.930 1014 2HB GLU 132 HB1 GLU 132 -11.284 6.347 -7.612 1015 1HG GLU 132 HG2 GLU 132 -12.143 4.321 -8.646 1016 2HG GLU 132 HG1 GLU 132 -13.710 4.553 -7.873 1017 H THR 133 HN THR 133 -12.071 2.643 -5.265 1018 HA THR 133 HA THR 133 -9.488 1.739 -6.378 1019 HB THR 133 HB THR 133 -10.612 -0.448 -5.310 1020 HG1 THR 133 HG1 THR 133 -12.612 0.569 -5.007 1021 1HG2 THR 133 HG21 THR 133 -8.593 0.671 -4.474 1022 2HG2 THR 133 HG22 THR 133 -9.657 0.221 -3.143 1023 3HG2 THR 133 HG23 THR 133 -9.591 1.896 -3.692 1024 H MET 134 HN MET 134 -9.343 0.681 -8.343 1025 HA MET 134 HA MET 134 -11.542 0.412 -10.147 1026 1HB MET 134 HB2 MET 134 -8.859 -1.010 -9.973 1027 2HB MET 134 HB1 MET 134 -9.890 -0.992 -11.404 1028 1HG MET 134 HG2 MET 134 -8.989 1.568 -10.085 1029 2HG MET 134 HG1 MET 134 -7.992 0.755 -11.291 1030 1HE MET 134 HE1 MET 134 -9.164 1.114 -14.438 1031 2HE MET 134 HE2 MET 134 -10.278 -0.121 -13.862 1032 3HE MET 134 HE3 MET 134 -8.634 -0.070 -13.235 1033 H ALA 135 HN ALA 135 -10.038 -1.883 -7.881 1034 HA ALA 135 HA ALA 135 -12.033 -3.968 -8.606 1035 1HB ALA 135 HB1 ALA 135 -9.319 -3.878 -7.794 1036 2HB ALA 135 HB2 ALA 135 -10.289 -5.314 -8.113 1037 3HB ALA 135 HB3 ALA 135 -10.207 -4.652 -6.485 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -1.933 9.524 16.189 2 2H MET 1 HT2 MET 1 -3.150 8.676 15.363 3 3H MET 1 HT3 MET 1 -1.900 9.430 14.494 4 HA MET 1 HA MET 1 -1.253 7.338 16.474 5 1HB MET 1 HB2 MET 1 -3.135 6.638 14.943 6 2HB MET 1 HB1 MET 1 -2.055 6.926 13.578 7 1HG MET 1 HG2 MET 1 -0.424 5.314 14.704 8 2HG MET 1 HG1 MET 1 -1.747 4.884 15.789 9 1HE MET 1 HE1 MET 1 -4.534 3.820 13.295 10 2HE MET 1 HE2 MET 1 -4.176 5.371 14.054 11 3HE MET 1 HE3 MET 1 -4.062 3.888 14.999 12 H LEU 2 HN LEU 2 0.104 9.775 15.548 13 HA LEU 2 HA LEU 2 1.948 9.301 13.432 14 1HB LEU 2 HB2 LEU 2 1.428 11.186 15.555 15 2HB LEU 2 HB1 LEU 2 3.162 10.884 15.450 16 HG LEU 2 HG LEU 2 1.375 11.653 13.122 17 1HD1 LEU 2 HD11 LEU 2 3.115 13.192 15.000 18 2HD1 LEU 2 HD12 LEU 2 1.619 13.678 14.199 19 3HD1 LEU 2 HD13 LEU 2 3.137 13.659 13.301 20 1HD2 LEU 2 HD21 LEU 2 3.615 10.176 12.937 21 2HD2 LEU 2 HD22 LEU 2 4.349 11.779 13.012 22 3HD2 LEU 2 HD23 LEU 2 3.193 11.396 11.736 23 H SER 3 HN SER 3 1.875 8.220 16.767 24 HA SER 3 HA SER 3 4.350 7.557 17.605 25 1HB SER 3 HB2 SER 3 1.827 6.660 18.079 26 2HB SER 3 HB1 SER 3 2.556 5.205 17.403 27 HG SER 3 HG SER 3 2.788 6.086 19.841 28 H GLN 4 HN GLN 4 2.712 5.282 15.366 29 HA GLN 4 HA GLN 4 5.249 4.986 13.869 30 1HB GLN 4 HB2 GLN 4 3.886 2.740 15.386 31 2HB GLN 4 HB1 GLN 4 5.212 2.508 14.245 32 1HG GLN 4 HG2 GLN 4 6.491 4.243 15.681 33 2HG GLN 4 HG1 GLN 4 5.259 3.935 16.902 34 1HE2 GLN 4 HE21 GLN 4 8.280 2.877 15.819 35 2HE2 GLN 4 HE22 GLN 4 8.279 1.332 16.525 36 H ILE 5 HN ILE 5 4.941 3.842 11.828 37 HA ILE 5 HA ILE 5 2.100 3.899 10.868 38 HB ILE 5 HB ILE 5 4.813 4.290 9.567 39 1HG1 ILE 5 HG12 ILE 5 2.406 6.126 9.772 40 2HG1 ILE 5 HG11 ILE 5 3.812 6.207 10.836 41 1HG2 ILE 5 HG21 ILE 5 2.721 3.091 8.280 42 2HG2 ILE 5 HG22 ILE 5 3.943 4.078 7.483 43 3HG2 ILE 5 HG23 ILE 5 2.400 4.792 7.948 44 1HD1 ILE 5 HD11 ILE 5 3.902 7.816 8.893 45 2HD1 ILE 5 HD12 ILE 5 3.977 6.421 7.815 46 3HD1 ILE 5 HD13 ILE 5 5.274 6.713 8.976 47 H ALA 6 HN ALA 6 1.237 1.960 10.018 48 HA ALA 6 HA ALA 6 3.004 -0.429 10.091 49 1HB ALA 6 HB1 ALA 6 0.922 -1.644 10.043 50 2HB ALA 6 HB2 ALA 6 0.032 -0.203 9.545 51 3HB ALA 6 HB3 ALA 6 0.713 -0.305 11.171 52 H ILE 7 HN ILE 7 4.109 -0.707 8.216 53 HA ILE 7 HA ILE 7 2.678 -0.142 5.662 54 HB ILE 7 HB ILE 7 5.626 -0.152 6.362 55 1HG1 ILE 7 HG12 ILE 7 3.621 2.064 5.838 56 2HG1 ILE 7 HG11 ILE 7 4.497 1.756 7.335 57 1HG2 ILE 7 HG21 ILE 7 4.456 0.950 3.818 58 2HG2 ILE 7 HG22 ILE 7 4.818 -0.771 3.942 59 3HG2 ILE 7 HG23 ILE 7 6.105 0.415 4.143 60 1HD1 ILE 7 HD11 ILE 7 5.455 3.626 5.922 61 2HD1 ILE 7 HD12 ILE 7 5.861 2.409 4.711 62 3HD1 ILE 7 HD13 ILE 7 6.599 2.338 6.310 63 H CYS 8 HN CYS 8 2.076 -1.954 4.603 64 HA CYS 8 HA CYS 8 3.577 -4.490 5.092 65 1HB CYS 8 HB2 CYS 8 1.067 -4.224 5.441 66 2HB CYS 8 HB1 CYS 8 0.921 -4.003 3.700 67 HG CYS 8 HG CYS 8 2.427 -6.520 4.048 68 H ILE 9 HN ILE 9 5.214 -4.690 3.587 69 HA ILE 9 HA ILE 9 4.725 -3.676 0.826 70 HB ILE 9 HB ILE 9 6.719 -2.886 2.024 71 1HG1 ILE 9 HG12 ILE 9 7.530 -4.951 -0.044 72 2HG1 ILE 9 HG11 ILE 9 6.828 -3.393 -0.451 73 1HG2 ILE 9 HG21 ILE 9 8.306 -5.228 2.085 74 2HG2 ILE 9 HG22 ILE 9 6.773 -5.647 2.849 75 3HG2 ILE 9 HG23 ILE 9 7.724 -4.294 3.463 76 1HD1 ILE 9 HD11 ILE 9 8.893 -2.533 -0.373 77 2HD1 ILE 9 HD12 ILE 9 9.553 -4.020 0.289 78 3HD1 ILE 9 HD13 ILE 9 8.878 -2.799 1.364 79 H TRP 10 HN TRP 10 4.705 -5.029 -0.897 80 HA TRP 10 HA TRP 10 5.093 -7.948 -0.313 81 1HB TRP 10 HB2 TRP 10 2.825 -7.470 -1.041 82 2HB TRP 10 HB1 TRP 10 3.415 -6.528 -2.417 83 HD1 TRP 10 HD1 TRP 10 5.343 -9.618 -1.556 84 HE1 TRP 10 HE1 TRP 10 4.972 -11.436 -3.335 85 HE3 TRP 10 HE3 TRP 10 1.477 -7.525 -4.185 86 HZ2 TRP 10 HZ2 TRP 10 3.271 -11.953 -5.557 87 HZ3 TRP 10 HZ3 TRP 10 0.514 -8.721 -6.130 88 HH2 TRP 10 HH2 TRP 10 1.401 -10.928 -6.816 89 H VAL 11 HN VAL 11 7.086 -8.558 -0.988 90 HA VAL 11 HA VAL 11 7.925 -8.022 -3.746 91 HB VAL 11 HB VAL 11 8.486 -5.921 -2.698 92 1HG1 VAL 11 HG11 VAL 11 9.809 -7.605 -0.561 93 2HG1 VAL 11 HG12 VAL 11 8.317 -6.687 -0.379 94 3HG1 VAL 11 HG13 VAL 11 9.843 -5.843 -0.640 95 1HG2 VAL 11 HG21 VAL 11 10.856 -7.793 -2.969 96 2HG2 VAL 11 HG22 VAL 11 11.028 -6.049 -2.752 97 3HG2 VAL 11 HG23 VAL 11 10.221 -6.686 -4.185 98 H GLU 12 HN GLU 12 8.803 -9.937 -4.294 99 HA GLU 12 HA GLU 12 9.775 -11.855 -2.314 100 1HB GLU 12 HB2 GLU 12 9.600 -11.717 -5.328 101 2HB GLU 12 HB1 GLU 12 10.265 -13.122 -4.490 102 1HG GLU 12 HG2 GLU 12 8.168 -13.395 -3.252 103 2HG GLU 12 HG1 GLU 12 7.502 -11.957 -4.025 104 H SER 13 HN SER 13 11.193 -9.556 -4.559 105 HA SER 13 HA SER 13 13.914 -10.573 -4.343 106 1HB SER 13 HB2 SER 13 13.015 -9.257 -6.248 107 2HB SER 13 HB1 SER 13 12.764 -7.884 -5.176 108 HG SER 13 HG SER 13 14.906 -8.409 -6.520 109 H THR 14 HN THR 14 14.822 -10.534 -2.285 110 HA THR 14 HA THR 14 14.100 -8.860 -0.136 111 HB THR 14 HB THR 14 16.853 -9.936 -0.805 112 HG1 THR 14 HG1 THR 14 14.768 -11.234 0.594 113 1HG2 THR 14 HG21 THR 14 16.472 -10.282 1.867 114 2HG2 THR 14 HG22 THR 14 15.560 -8.795 1.595 115 3HG2 THR 14 HG23 THR 14 17.269 -8.877 1.164 116 H ALA 15 HN ALA 15 16.631 -8.365 -2.614 117 HA ALA 15 HA ALA 15 17.777 -5.972 -1.682 118 1HB ALA 15 HB1 ALA 15 17.418 -5.891 -4.536 119 2HB ALA 15 HB2 ALA 15 17.676 -7.565 -4.040 120 3HB ALA 15 HB3 ALA 15 18.865 -6.328 -3.626 121 H ILE 16 HN ILE 16 14.936 -6.308 -3.849 122 HA ILE 16 HA ILE 16 14.328 -3.491 -3.967 123 HB ILE 16 HB ILE 16 12.933 -6.119 -4.448 124 1HG1 ILE 16 HG12 ILE 16 13.303 -3.807 -6.347 125 2HG1 ILE 16 HG11 ILE 16 14.608 -4.955 -6.037 126 1HG2 ILE 16 HG21 ILE 16 10.874 -5.126 -4.999 127 2HG2 ILE 16 HG22 ILE 16 11.558 -3.501 -5.021 128 3HG2 ILE 16 HG23 ILE 16 11.312 -4.333 -3.486 129 1HD1 ILE 16 HD11 ILE 16 12.707 -5.323 -7.947 130 2HD1 ILE 16 HD12 ILE 16 11.963 -6.161 -6.587 131 3HD1 ILE 16 HD13 ILE 16 13.560 -6.647 -7.153 132 H LEU 17 HN LEU 17 13.355 -6.174 -1.919 133 HA LEU 17 HA LEU 17 11.420 -4.867 -0.293 134 1HB LEU 17 HB2 LEU 17 11.574 -7.229 -0.319 135 2HB LEU 17 HB1 LEU 17 13.308 -7.201 -0.059 136 HG LEU 17 HG LEU 17 11.704 -7.842 1.915 137 1HD1 LEU 17 HD11 LEU 17 14.295 -6.728 1.707 138 2HD1 LEU 17 HD12 LEU 17 13.635 -7.678 3.038 139 3HD1 LEU 17 HD13 LEU 17 13.518 -5.919 3.069 140 1HD2 LEU 17 HD21 LEU 17 11.786 -5.069 2.821 141 2HD2 LEU 17 HD22 LEU 17 10.444 -6.211 2.840 142 3HD2 LEU 17 HD23 LEU 17 10.769 -5.259 1.396 143 H GLN 18 HN GLN 18 14.918 -5.464 0.317 144 HA GLN 18 HA GLN 18 15.075 -4.036 2.775 145 1HB GLN 18 HB2 GLN 18 17.132 -4.438 0.572 146 2HB GLN 18 HB1 GLN 18 17.498 -3.965 2.228 147 1HG GLN 18 HG2 GLN 18 16.476 -6.067 3.049 148 2HG GLN 18 HG1 GLN 18 16.167 -6.551 1.385 149 1HE2 GLN 18 HE21 GLN 18 18.290 -7.156 3.812 150 2HE2 GLN 18 HE22 GLN 18 19.699 -7.462 2.916 151 H ASP 19 HN ASP 19 15.325 -2.929 -0.600 152 HA ASP 19 HA ASP 19 16.243 -0.284 -0.138 153 1HB ASP 19 HB2 ASP 19 14.524 -1.674 -2.179 154 2HB ASP 19 HB1 ASP 19 14.826 0.055 -2.312 155 H CYS 20 HN CYS 20 12.881 -1.493 -0.365 156 HA CYS 20 HA CYS 20 11.581 0.981 0.174 157 1HB CYS 20 HB2 CYS 20 10.847 -1.913 0.685 158 2HB CYS 20 HB1 CYS 20 9.696 -0.578 0.772 159 HG CYS 20 HG CYS 20 9.584 -1.430 -1.678 160 H GLN 21 HN GLN 21 12.764 -1.575 2.346 161 HA GLN 21 HA GLN 21 11.731 -0.407 4.784 162 1HB GLN 21 HB2 GLN 21 14.042 -2.284 4.233 163 2HB GLN 21 HB1 GLN 21 13.260 -2.042 5.797 164 1HG GLN 21 HG2 GLN 21 11.096 -2.740 4.758 165 2HG GLN 21 HG1 GLN 21 11.982 -3.129 3.283 166 1HE2 GLN 21 HE21 GLN 21 10.547 -4.970 5.132 167 2HE2 GLN 21 HE22 GLN 21 11.709 -6.097 5.641 168 H ARG 22 HN ARG 22 14.781 -0.242 2.992 169 HA ARG 22 HA ARG 22 16.376 1.186 4.857 170 1HB ARG 22 HB2 ARG 22 16.181 0.934 1.860 171 2HB ARG 22 HB1 ARG 22 17.385 2.004 2.577 172 1HG ARG 22 HG2 ARG 22 18.329 0.136 3.858 173 2HG ARG 22 HG1 ARG 22 17.078 -0.943 3.238 174 1HD ARG 22 HD2 ARG 22 17.901 -0.594 0.934 175 2HD ARG 22 HD1 ARG 22 19.156 0.495 1.550 176 HE ARG 22 HE ARG 22 19.425 -1.857 3.048 177 1HH1 ARG 22 HH11 ARG 22 19.483 -0.909 -0.272 178 2HH1 ARG 22 HH12 ARG 22 20.600 -2.144 -0.745 179 1HH2 ARG 22 HH21 ARG 22 20.896 -3.481 2.438 180 2HH2 ARG 22 HH22 ARG 22 21.399 -3.596 0.785 181 H ALA 23 HN ALA 23 14.366 2.442 2.166 182 HA ALA 23 HA ALA 23 14.644 5.218 2.928 183 1HB ALA 23 HB1 ALA 23 12.967 5.520 1.202 184 2HB ALA 23 HB2 ALA 23 12.427 3.847 1.367 185 3HB ALA 23 HB3 ALA 23 14.013 4.198 0.679 186 H LEU 24 HN LEU 24 11.992 2.813 3.334 187 HA LEU 24 HA LEU 24 10.572 4.545 5.252 188 1HB LEU 24 HB2 LEU 24 10.166 1.691 4.285 189 2HB LEU 24 HB1 LEU 24 8.997 2.631 5.213 190 HG LEU 24 HG LEU 24 10.097 3.402 2.506 191 1HD1 LEU 24 HD11 LEU 24 7.930 1.667 3.294 192 2HD1 LEU 24 HD12 LEU 24 8.504 2.053 1.673 193 3HD1 LEU 24 HD13 LEU 24 7.300 3.081 2.450 194 1HD2 LEU 24 HD21 LEU 24 8.075 5.023 2.738 195 2HD2 LEU 24 HD22 LEU 24 9.564 5.407 3.604 196 3HD2 LEU 24 HD23 LEU 24 8.206 4.680 4.463 197 H SER 25 HN SER 25 12.937 4.262 6.414 198 HA SER 25 HA SER 25 12.807 1.899 8.250 199 1HB SER 25 HB2 SER 25 15.199 2.280 8.500 200 2HB SER 25 HB1 SER 25 14.815 2.287 6.784 201 HG SER 25 HG SER 25 14.481 4.730 7.461 202 H ALA 26 HN ALA 26 12.046 5.144 8.107 203 HA ALA 26 HA ALA 26 12.860 6.597 10.236 204 1HB ALA 26 HB1 ALA 26 10.817 6.728 8.562 205 2HB ALA 26 HB2 ALA 26 10.742 7.606 10.091 206 3HB ALA 26 HB3 ALA 26 9.913 6.059 9.922 207 H ASP 27 HN ASP 27 12.596 6.584 12.530 208 HA ASP 27 HA ASP 27 12.465 4.065 13.852 209 1HB ASP 27 HB2 ASP 27 12.145 6.936 14.753 210 2HB ASP 27 HB1 ASP 27 12.202 5.591 15.891 211 H ARG 28 HN ARG 28 9.919 5.967 12.588 212 HA ARG 28 HA ARG 28 7.940 4.771 14.483 213 1HB ARG 28 HB2 ARG 28 6.489 6.557 13.692 214 2HB ARG 28 HB1 ARG 28 8.061 7.252 14.091 215 1HG ARG 28 HG2 ARG 28 8.711 7.080 11.694 216 2HG ARG 28 HG1 ARG 28 7.092 6.488 11.324 217 1HD ARG 28 HD2 ARG 28 6.160 8.615 12.315 218 2HD ARG 28 HD1 ARG 28 7.823 9.221 12.428 219 HE ARG 28 HE ARG 28 6.319 8.780 9.940 220 1HH1 ARG 28 HH11 ARG 28 9.386 9.183 11.497 221 2HH1 ARG 28 HH12 ARG 28 10.197 9.650 10.042 222 1HH2 ARG 28 HH21 ARG 28 7.382 9.367 8.045 223 2HH2 ARG 28 HH22 ARG 28 9.071 9.751 8.094 224 H TYR 29 HN TYR 29 9.290 3.465 11.958 225 HA TYR 29 HA TYR 29 6.801 2.989 10.379 226 1HB TYR 29 HB2 TYR 29 9.736 2.913 9.890 227 2HB TYR 29 HB1 TYR 29 8.738 1.785 8.966 228 HD1 TYR 29 HD1 TYR 29 6.234 3.276 8.650 229 HD2 TYR 29 HD2 TYR 29 10.293 4.624 8.381 230 HE1 TYR 29 HE1 TYR 29 5.515 5.133 7.198 231 HE2 TYR 29 HE2 TYR 29 9.583 6.485 6.925 232 HH TYR 29 HH TYR 29 7.663 7.724 6.313 233 H GLN 30 HN GLN 30 5.760 1.099 10.503 234 HA GLN 30 HA GLN 30 7.106 -1.225 11.850 235 1HB GLN 30 HB2 GLN 30 5.109 -0.299 12.987 236 2HB GLN 30 HB1 GLN 30 4.173 -0.507 11.507 237 1HG GLN 30 HG2 GLN 30 4.838 -2.985 11.625 238 2HG GLN 30 HG1 GLN 30 5.354 -2.648 13.277 239 1HE2 GLN 30 HE21 GLN 30 3.082 -4.380 12.478 240 2HE2 GLN 30 HE22 GLN 30 1.692 -3.685 13.162 241 H LEU 31 HN LEU 31 8.077 -1.874 9.810 242 HA LEU 31 HA LEU 31 6.454 -2.289 7.431 243 1HB LEU 31 HB2 LEU 31 9.222 -3.302 8.115 244 2HB LEU 31 HB1 LEU 31 8.565 -2.987 6.510 245 HG LEU 31 HG LEU 31 9.260 -0.978 8.659 246 1HD1 LEU 31 HD11 LEU 31 11.074 -0.598 7.384 247 2HD1 LEU 31 HD12 LEU 31 10.086 -0.427 5.934 248 3HD1 LEU 31 HD13 LEU 31 10.633 -2.023 6.446 249 1HD2 LEU 31 HD21 LEU 31 7.015 -0.491 7.617 250 2HD2 LEU 31 HD22 LEU 31 7.816 -0.439 6.045 251 3HD2 LEU 31 HD23 LEU 31 8.233 0.742 7.287 252 H GLN 32 HN GLN 32 5.889 -4.242 6.491 253 HA GLN 32 HA GLN 32 6.280 -6.771 8.031 254 1HB GLN 32 HB2 GLN 32 4.036 -5.746 8.516 255 2HB GLN 32 HB1 GLN 32 3.683 -5.783 6.787 256 1HG GLN 32 HG2 GLN 32 2.696 -7.752 7.839 257 2HG GLN 32 HG1 GLN 32 4.042 -8.261 6.820 258 1HE2 GLN 32 HE21 GLN 32 5.554 -9.593 7.823 259 2HE2 GLN 32 HE22 GLN 32 5.772 -9.721 9.502 260 H VAL 33 HN VAL 33 7.416 -8.022 6.546 261 HA VAL 33 HA VAL 33 7.075 -7.454 3.662 262 HB VAL 33 HB VAL 33 8.916 -9.319 5.194 263 1HG1 VAL 33 HG11 VAL 33 8.335 -9.185 2.440 264 2HG1 VAL 33 HG12 VAL 33 9.713 -9.992 3.190 265 3HG1 VAL 33 HG13 VAL 33 9.861 -8.324 2.634 266 1HG2 VAL 33 HG21 VAL 33 8.976 -6.416 4.478 267 2HG2 VAL 33 HG22 VAL 33 10.489 -7.311 4.353 268 3HG2 VAL 33 HG23 VAL 33 9.637 -7.236 5.892 269 H CYS 34 HN CYS 34 5.984 -8.729 2.281 270 HA CYS 34 HA CYS 34 4.850 -11.304 3.300 271 1HB CYS 34 HB2 CYS 34 4.022 -9.359 1.123 272 2HB CYS 34 HB1 CYS 34 3.192 -10.881 1.447 273 HG CYS 34 HG CYS 34 2.224 -9.935 3.566 274 H GLU 35 HN GLU 35 5.921 -13.072 2.502 275 HA GLU 35 HA GLU 35 7.865 -12.971 0.407 276 1HB GLU 35 HB2 GLU 35 6.262 -15.258 1.595 277 2HB GLU 35 HB1 GLU 35 7.731 -15.446 0.637 278 1HG GLU 35 HG2 GLU 35 8.990 -14.113 2.278 279 2HG GLU 35 HG1 GLU 35 7.527 -13.901 3.239 280 H SER 36 HN SER 36 4.380 -13.559 0.365 281 HA SER 36 HA SER 36 4.594 -13.889 -2.615 282 1HB SER 36 HB2 SER 36 3.950 -15.918 -1.202 283 2HB SER 36 HB1 SER 36 2.464 -15.056 -0.809 284 HG SER 36 HG SER 36 1.774 -15.814 -2.640 285 H GLY 37 HN GLY 37 1.928 -13.660 -3.259 286 1HA GLY 37 HA2 GLY 37 1.378 -10.830 -2.514 287 2HA GLY 37 HA1 GLY 37 0.730 -11.659 -3.937 288 H GLU 38 HN GLU 38 0.278 -14.083 -2.251 289 HA GLU 38 HA GLU 38 -2.439 -13.481 -1.444 290 1HB GLU 38 HB2 GLU 38 -0.567 -15.791 -1.652 291 2HB GLU 38 HB1 GLU 38 -1.947 -15.977 -0.586 292 1HG GLU 38 HG2 GLU 38 -2.434 -14.822 -3.300 293 2HG GLU 38 HG1 GLU 38 -2.122 -16.555 -3.185 294 H MET 39 HN MET 39 0.694 -13.842 0.086 295 HA MET 39 HA MET 39 -0.167 -14.067 2.812 296 1HB MET 39 HB2 MET 39 2.306 -12.948 1.458 297 2HB MET 39 HB1 MET 39 2.194 -13.218 3.196 298 1HG MET 39 HG2 MET 39 1.556 -15.623 2.647 299 2HG MET 39 HG1 MET 39 2.051 -15.277 0.991 300 1HE MET 39 HE1 MET 39 3.085 -17.310 1.530 301 2HE MET 39 HE2 MET 39 4.002 -17.619 3.002 302 3HE MET 39 HE3 MET 39 4.853 -17.255 1.503 303 H LEU 40 HN LEU 40 0.541 -11.313 0.695 304 HA LEU 40 HA LEU 40 0.324 -9.222 2.612 305 1HB LEU 40 HB2 LEU 40 1.215 -8.636 0.529 306 2HB LEU 40 HB1 LEU 40 0.000 -9.554 -0.358 307 HG LEU 40 HG LEU 40 -1.693 -7.899 0.099 308 1HD1 LEU 40 HD11 LEU 40 0.255 -6.168 1.585 309 2HD1 LEU 40 HD12 LEU 40 -0.584 -7.450 2.455 310 3HD1 LEU 40 HD13 LEU 40 -1.507 -6.179 1.655 311 1HD2 LEU 40 HD21 LEU 40 0.889 -7.143 -1.083 312 2HD2 LEU 40 HD22 LEU 40 -0.074 -5.762 -0.563 313 3HD2 LEU 40 HD23 LEU 40 -0.745 -6.917 -1.712 314 H LEU 41 HN LEU 41 -2.129 -10.897 0.662 315 HA LEU 41 HA LEU 41 -4.357 -9.237 1.350 316 1HB LEU 41 HB2 LEU 41 -4.183 -12.202 0.701 317 2HB LEU 41 HB1 LEU 41 -5.629 -11.203 0.556 318 HG LEU 41 HG LEU 41 -3.040 -10.731 -0.950 319 1HD1 LEU 41 HD11 LEU 41 -3.880 -12.577 -2.052 320 2HD1 LEU 41 HD12 LEU 41 -4.797 -11.318 -2.870 321 3HD1 LEU 41 HD13 LEU 41 -5.541 -12.246 -1.568 322 1HD2 LEU 41 HD21 LEU 41 -5.775 -9.428 -1.066 323 2HD2 LEU 41 HD22 LEU 41 -4.508 -9.168 -2.266 324 3HD2 LEU 41 HD23 LEU 41 -4.259 -8.666 -0.593 325 H GLU 42 HN GLU 42 -3.035 -12.199 2.856 326 HA GLU 42 HA GLU 42 -5.016 -12.559 4.876 327 1HB GLU 42 HB2 GLU 42 -3.019 -14.034 4.040 328 2HB GLU 42 HB1 GLU 42 -2.071 -13.147 5.232 329 1HG GLU 42 HG2 GLU 42 -3.564 -13.863 7.022 330 2HG GLU 42 HG1 GLU 42 -4.630 -14.652 5.860 331 H TYR 43 HN TYR 43 -2.051 -10.592 4.836 332 HA TYR 43 HA TYR 43 -2.214 -9.803 7.618 333 1HB TYR 43 HB2 TYR 43 -0.110 -9.752 6.508 334 2HB TYR 43 HB1 TYR 43 -0.763 -8.838 5.149 335 HD1 TYR 43 HD1 TYR 43 0.297 -8.654 8.681 336 HD2 TYR 43 HD2 TYR 43 -1.141 -6.453 5.286 337 HE1 TYR 43 HE1 TYR 43 0.863 -6.525 9.821 338 HE2 TYR 43 HE2 TYR 43 -0.572 -4.326 6.422 339 HH TYR 43 HH TYR 43 1.054 -3.590 8.235 340 H ALA 44 HN ALA 44 -3.394 -8.409 4.571 341 HA ALA 44 HA ALA 44 -4.350 -5.971 5.951 342 1HB ALA 44 HB1 ALA 44 -3.339 -5.754 3.769 343 2HB ALA 44 HB2 ALA 44 -5.062 -5.445 3.567 344 3HB ALA 44 HB3 ALA 44 -4.385 -7.005 3.100 345 H GLN 45 HN GLN 45 -5.562 -9.053 4.867 346 HA GLN 45 HA GLN 45 -8.348 -8.410 4.609 347 1HB GLN 45 HB2 GLN 45 -6.614 -10.804 5.037 348 2HB GLN 45 HB1 GLN 45 -8.346 -10.995 5.319 349 1HG GLN 45 HG2 GLN 45 -8.871 -10.275 3.100 350 2HG GLN 45 HG1 GLN 45 -7.203 -9.777 2.805 351 1HE2 GLN 45 HE21 GLN 45 -7.479 -11.385 0.898 352 2HE2 GLN 45 HE22 GLN 45 -7.146 -13.019 1.212 353 H THR 46 HN THR 46 -6.309 -8.453 7.339 354 HA THR 46 HA THR 46 -8.709 -8.606 9.130 355 HB THR 46 HB THR 46 -7.554 -10.098 10.534 356 HG1 THR 46 HG1 THR 46 -5.268 -10.327 10.383 357 1HG2 THR 46 HG21 THR 46 -6.415 -10.710 7.786 358 2HG2 THR 46 HG22 THR 46 -8.036 -11.150 8.321 359 3HG2 THR 46 HG23 THR 46 -6.627 -11.861 9.104 360 H HIS 47 HN HIS 47 -6.802 -6.384 7.940 361 HA HIS 47 HA HIS 47 -6.723 -4.802 10.430 362 1HB HIS 47 HB2 HIS 47 -4.345 -6.024 9.072 363 2HB HIS 47 HB1 HIS 47 -4.160 -4.436 9.812 364 HD1 HIS 47 HD1 HIS 47 -3.118 -7.429 10.797 365 HD2 HIS 47 HD2 HIS 47 -6.058 -5.018 12.503 366 HE1 HIS 47 HE1 HIS 47 -3.339 -8.166 13.211 367 H ARG 48 HN ARG 48 -7.838 -4.664 7.591 368 HA ARG 48 HA ARG 48 -6.575 -2.902 5.849 369 1HB ARG 48 HB2 ARG 48 -9.405 -2.226 6.516 370 2HB ARG 48 HB1 ARG 48 -8.666 -2.520 4.949 371 1HG ARG 48 HG2 ARG 48 -8.529 -4.973 5.603 372 2HG ARG 48 HG1 ARG 48 -9.558 -4.567 6.981 373 1HD ARG 48 HD2 ARG 48 -11.279 -3.681 5.446 374 2HD ARG 48 HD1 ARG 48 -10.265 -4.109 4.058 375 HE ARG 48 HE ARG 48 -10.416 -6.475 5.473 376 1HH1 ARG 48 HH11 ARG 48 -12.658 -4.175 4.204 377 2HH1 ARG 48 HH12 ARG 48 -13.959 -5.311 4.088 378 1HH2 ARG 48 HH21 ARG 48 -12.121 -7.972 5.321 379 2HH2 ARG 48 HH22 ARG 48 -13.659 -7.452 4.718 380 H ASP 49 HN ASP 49 -8.682 -1.878 8.518 381 HA ASP 49 HA ASP 49 -7.995 0.928 8.318 382 1HB ASP 49 HB2 ASP 49 -9.239 -0.776 10.500 383 2HB ASP 49 HB1 ASP 49 -9.234 0.988 10.499 384 H GLN 50 HN GLN 50 -6.121 -1.645 9.395 385 HA GLN 50 HA GLN 50 -4.705 0.021 11.444 386 1HB GLN 50 HB2 GLN 50 -4.589 -2.943 10.798 387 2HB GLN 50 HB1 GLN 50 -3.761 -2.158 12.141 388 1HG GLN 50 HG2 GLN 50 -6.768 -2.233 11.733 389 2HG GLN 50 HG1 GLN 50 -5.864 -3.216 12.882 390 1HE2 GLN 50 HE21 GLN 50 -7.944 -1.050 13.357 391 2HE2 GLN 50 HE22 GLN 50 -7.188 0.048 14.407 392 H ILE 51 HN ILE 51 -4.492 -0.818 8.178 393 HA ILE 51 HA ILE 51 -1.525 -0.970 8.129 394 HB ILE 51 HB ILE 51 -3.540 -0.887 5.858 395 1HG1 ILE 51 HG12 ILE 51 -4.243 -2.813 6.949 396 2HG1 ILE 51 HG11 ILE 51 -2.958 -3.471 5.947 397 1HG2 ILE 51 HG21 ILE 51 -1.483 -2.390 4.979 398 2HG2 ILE 51 HG22 ILE 51 -0.617 -1.346 6.103 399 3HG2 ILE 51 HG23 ILE 51 -1.540 -0.640 4.778 400 1HD1 ILE 51 HD11 ILE 51 -2.853 -2.782 8.889 401 2HD1 ILE 51 HD12 ILE 51 -1.394 -3.044 7.934 402 3HD1 ILE 51 HD13 ILE 51 -2.564 -4.347 8.129 403 H ASP 52 HN ASP 52 -0.374 0.955 8.018 404 HA ASP 52 HA ASP 52 -1.814 3.441 7.477 405 1HB ASP 52 HB2 ASP 52 0.943 2.591 8.291 406 2HB ASP 52 HB1 ASP 52 0.687 4.234 7.727 407 H CYS 53 HN CYS 53 0.764 1.554 5.854 408 HA CYS 53 HA CYS 53 -0.003 2.846 3.277 409 1HB CYS 53 HB2 CYS 53 1.805 4.132 4.534 410 2HB CYS 53 HB1 CYS 53 2.833 2.715 4.334 411 HG CYS 53 HG CYS 53 1.873 3.357 1.622 412 H LEU 54 HN LEU 54 0.336 1.416 1.490 413 HA LEU 54 HA LEU 54 1.583 -1.222 2.243 414 1HB LEU 54 HB2 LEU 54 -0.822 -1.264 1.678 415 2HB LEU 54 HB1 LEU 54 -0.471 -0.518 0.118 416 HG LEU 54 HG LEU 54 1.264 -2.617 0.072 417 1HD1 LEU 54 HD11 LEU 54 -0.758 -3.207 2.099 418 2HD1 LEU 54 HD12 LEU 54 0.731 -4.071 1.717 419 3HD1 LEU 54 HD13 LEU 54 -0.740 -4.403 0.804 420 1HD2 LEU 54 HD21 LEU 54 -1.607 -3.038 -0.737 421 2HD2 LEU 54 HD22 LEU 54 -0.134 -3.494 -1.597 422 3HD2 LEU 54 HD23 LEU 54 -0.627 -1.801 -1.527 423 H ILE 55 HN ILE 55 3.281 -2.000 0.933 424 HA ILE 55 HA ILE 55 4.140 -0.152 -1.273 425 HB ILE 55 HB ILE 55 5.680 -2.258 0.278 426 1HG1 ILE 55 HG12 ILE 55 6.021 0.735 0.399 427 2HG1 ILE 55 HG11 ILE 55 4.990 -0.146 1.533 428 1HG2 ILE 55 HG21 ILE 55 6.851 -2.108 -1.727 429 2HG2 ILE 55 HG22 ILE 55 7.588 -0.778 -0.834 430 3HG2 ILE 55 HG23 ILE 55 6.326 -0.452 -2.019 431 1HD1 ILE 55 HD11 ILE 55 6.761 -1.058 2.621 432 2HD1 ILE 55 HD12 ILE 55 7.689 0.238 1.869 433 3HD1 ILE 55 HD13 ILE 55 7.638 -1.359 1.123 434 H LEU 56 HN LEU 56 4.263 -0.992 -3.341 435 HA LEU 56 HA LEU 56 3.869 -3.941 -3.614 436 1HB LEU 56 HB2 LEU 56 2.359 -1.669 -4.918 437 2HB LEU 56 HB1 LEU 56 2.275 -3.333 -5.487 438 HG LEU 56 HG LEU 56 1.612 -2.449 -2.665 439 1HD1 LEU 56 HD11 LEU 56 -0.508 -2.074 -3.347 440 2HD1 LEU 56 HD12 LEU 56 -0.540 -3.565 -4.286 441 3HD1 LEU 56 HD13 LEU 56 0.114 -2.091 -4.996 442 1HD2 LEU 56 HD21 LEU 56 1.670 -4.651 -2.184 443 2HD2 LEU 56 HD22 LEU 56 2.223 -4.989 -3.822 444 3HD2 LEU 56 HD23 LEU 56 0.497 -4.968 -3.460 445 H VAL 57 HN VAL 57 4.571 -4.778 -5.619 446 HA VAL 57 HA VAL 57 6.482 -3.008 -7.099 447 HB VAL 57 HB VAL 57 6.582 -5.992 -6.502 448 1HG1 VAL 57 HG11 VAL 57 8.071 -6.033 -8.194 449 2HG1 VAL 57 HG12 VAL 57 9.110 -5.000 -7.211 450 3HG1 VAL 57 HG13 VAL 57 7.995 -4.279 -8.371 451 1HG2 VAL 57 HG21 VAL 57 6.925 -4.357 -4.557 452 2HG2 VAL 57 HG22 VAL 57 8.368 -3.806 -5.406 453 3HG2 VAL 57 HG23 VAL 57 8.249 -5.480 -4.861 454 H ALA 58 HN ALA 58 6.005 -2.882 -9.298 455 HA ALA 58 HA ALA 58 3.719 -4.463 -10.305 456 1HB ALA 58 HB1 ALA 58 4.560 -1.874 -10.528 457 2HB ALA 58 HB2 ALA 58 3.410 -2.643 -11.622 458 3HB ALA 58 HB3 ALA 58 5.118 -2.556 -12.056 459 H ALA 59 HN ALA 59 6.856 -5.143 -10.025 460 HA ALA 59 HA ALA 59 7.520 -5.998 -12.747 461 1HB ALA 59 HB1 ALA 59 8.882 -5.261 -10.526 462 2HB ALA 59 HB2 ALA 59 9.593 -6.257 -11.796 463 3HB ALA 59 HB3 ALA 59 8.935 -7.014 -10.346 464 H ASN 60 HN ASN 60 5.858 -7.324 -10.000 465 HA ASN 60 HA ASN 60 6.346 -10.128 -10.551 466 1HB ASN 60 HB2 ASN 60 4.638 -8.418 -8.817 467 2HB ASN 60 HB1 ASN 60 4.064 -10.065 -9.093 468 1HD2 ASN 60 HD21 ASN 60 4.727 -9.864 -6.545 469 2HD2 ASN 60 HD22 ASN 60 6.289 -10.433 -6.199 470 HA PRO 61 HA PRO 61 3.490 -10.919 -13.765 471 1HB PRO 61 HB2 PRO 61 2.508 -13.371 -13.048 472 2HB PRO 61 HB1 PRO 61 4.148 -13.127 -13.678 473 1HG PRO 61 HG2 PRO 61 3.241 -13.480 -10.863 474 2HG PRO 61 HG1 PRO 61 4.677 -14.123 -11.673 475 1HD PRO 61 HD2 PRO 61 4.745 -11.970 -10.009 476 2HD PRO 61 HD1 PRO 61 5.878 -12.191 -11.360 477 H SER 62 HN SER 62 1.645 -12.714 -11.357 478 HA SER 62 HA SER 62 -0.766 -11.194 -12.015 479 1HB SER 62 HB2 SER 62 -1.801 -12.840 -10.482 480 2HB SER 62 HB1 SER 62 -0.757 -13.626 -11.663 481 HG SER 62 HG SER 62 -0.473 -14.309 -9.432 482 H PHE 63 HN PHE 63 1.323 -9.607 -10.668 483 HA PHE 63 HA PHE 63 0.740 -9.267 -7.880 484 1HB PHE 63 HB2 PHE 63 2.752 -8.324 -8.497 485 2HB PHE 63 HB1 PHE 63 2.159 -7.855 -10.086 486 HD1 PHE 63 HD1 PHE 63 2.059 -5.586 -10.454 487 HD2 PHE 63 HD2 PHE 63 1.306 -7.046 -6.494 488 HE1 PHE 63 HE1 PHE 63 1.690 -3.272 -9.683 489 HE2 PHE 63 HE2 PHE 63 0.937 -4.731 -5.715 490 HZ PHE 63 HZ PHE 63 1.124 -2.839 -7.304 491 H ARG 64 HN ARG 64 -0.418 -7.554 -10.797 492 HA ARG 64 HA ARG 64 -2.052 -5.595 -9.628 493 1HB ARG 64 HB2 ARG 64 -2.080 -7.259 -12.114 494 2HB ARG 64 HB1 ARG 64 -3.482 -6.243 -11.784 495 1HG ARG 64 HG2 ARG 64 -1.962 -4.921 -13.095 496 2HG ARG 64 HG1 ARG 64 -1.874 -4.318 -11.438 497 1HD ARG 64 HD2 ARG 64 0.397 -4.595 -12.363 498 2HD ARG 64 HD1 ARG 64 0.130 -5.762 -11.052 499 HE ARG 64 HE ARG 64 -0.764 -7.055 -13.362 500 1HH1 ARG 64 HH11 ARG 64 2.147 -5.555 -12.280 501 2HH1 ARG 64 HH12 ARG 64 3.180 -6.651 -13.129 502 1HH2 ARG 64 HH21 ARG 64 0.562 -8.484 -14.473 503 2HH2 ARG 64 HH22 ARG 64 2.282 -8.307 -14.376 504 H ALA 65 HN ALA 65 -2.797 -8.982 -10.340 505 HA ALA 65 HA ALA 65 -5.518 -9.052 -9.559 506 1HB ALA 65 HB1 ALA 65 -4.334 -10.854 -10.715 507 2HB ALA 65 HB2 ALA 65 -4.970 -11.484 -9.197 508 3HB ALA 65 HB3 ALA 65 -3.262 -11.073 -9.335 509 H VAL 66 HN VAL 66 -2.548 -9.416 -7.632 510 HA VAL 66 HA VAL 66 -3.762 -10.011 -5.115 511 HB VAL 66 HB VAL 66 -1.239 -8.496 -5.824 512 1HG1 VAL 66 HG11 VAL 66 -1.931 -8.346 -3.426 513 2HG1 VAL 66 HG12 VAL 66 -0.417 -9.223 -3.649 514 3HG1 VAL 66 HG13 VAL 66 -1.910 -10.109 -3.347 515 1HG2 VAL 66 HG21 VAL 66 -0.415 -10.453 -6.582 516 2HG2 VAL 66 HG22 VAL 66 -2.028 -11.145 -6.420 517 3HG2 VAL 66 HG23 VAL 66 -0.879 -11.264 -5.087 518 H VAL 67 HN VAL 67 -2.684 -6.889 -6.511 519 HA VAL 67 HA VAL 67 -3.558 -5.263 -4.338 520 HB VAL 67 HB VAL 67 -3.567 -4.476 -7.260 521 1HG1 VAL 67 HG11 VAL 67 -2.555 -2.385 -6.148 522 2HG1 VAL 67 HG12 VAL 67 -3.066 -3.096 -4.618 523 3HG1 VAL 67 HG13 VAL 67 -4.266 -2.697 -5.847 524 1HG2 VAL 67 HG21 VAL 67 -1.346 -5.468 -5.587 525 2HG2 VAL 67 HG22 VAL 67 -1.034 -3.902 -6.337 526 3HG2 VAL 67 HG23 VAL 67 -1.440 -5.296 -7.341 527 H GLN 68 HN GLN 68 -5.241 -6.382 -7.291 528 HA GLN 68 HA GLN 68 -7.666 -4.912 -6.880 529 1HB GLN 68 HB2 GLN 68 -7.004 -7.535 -8.247 530 2HB GLN 68 HB1 GLN 68 -8.588 -6.766 -8.358 531 1HG GLN 68 HG2 GLN 68 -7.404 -4.679 -9.173 532 2HG GLN 68 HG1 GLN 68 -5.934 -5.648 -9.291 533 1HE2 GLN 68 HE21 GLN 68 -9.398 -6.040 -10.243 534 2HE2 GLN 68 HE22 GLN 68 -9.053 -6.649 -11.789 535 H GLN 69 HN GLN 69 -6.490 -7.998 -5.592 536 HA GLN 69 HA GLN 69 -8.944 -8.927 -4.450 537 1HB GLN 69 HB2 GLN 69 -6.830 -10.220 -4.724 538 2HB GLN 69 HB1 GLN 69 -6.076 -9.221 -3.484 539 1HG GLN 69 HG2 GLN 69 -6.884 -10.630 -1.927 540 2HG GLN 69 HG1 GLN 69 -8.515 -10.137 -2.383 541 1HE2 GLN 69 HE21 GLN 69 -9.269 -12.391 -2.027 542 2HE2 GLN 69 HE22 GLN 69 -8.924 -13.595 -3.172 543 H LEU 70 HN LEU 70 -6.377 -6.763 -3.218 544 HA LEU 70 HA LEU 70 -7.450 -6.340 -0.596 545 1HB LEU 70 HB2 LEU 70 -5.654 -4.883 -2.517 546 2HB LEU 70 HB1 LEU 70 -6.210 -4.031 -1.075 547 HG LEU 70 HG LEU 70 -5.306 -6.735 -0.445 548 1HD1 LEU 70 HD11 LEU 70 -3.848 -5.924 -2.486 549 2HD1 LEU 70 HD12 LEU 70 -3.064 -6.632 -1.073 550 3HD1 LEU 70 HD13 LEU 70 -3.096 -4.880 -1.277 551 1HD2 LEU 70 HD21 LEU 70 -3.704 -5.068 0.944 552 2HD2 LEU 70 HD22 LEU 70 -5.380 -5.366 1.409 553 3HD2 LEU 70 HD23 LEU 70 -4.964 -3.921 0.488 554 H CYS 71 HN CYS 71 -7.923 -4.586 -3.673 555 HA CYS 71 HA CYS 71 -9.789 -2.642 -2.705 556 1HB CYS 71 HB2 CYS 71 -9.408 -3.960 -5.419 557 2HB CYS 71 HB1 CYS 71 -10.335 -2.481 -5.146 558 HG CYS 71 HG CYS 71 -7.544 -2.317 -5.715 559 H PHE 72 HN PHE 72 -10.185 -5.907 -4.058 560 HA PHE 72 HA PHE 72 -13.027 -5.994 -4.209 561 1HB PHE 72 HB2 PHE 72 -11.507 -7.634 -5.221 562 2HB PHE 72 HB1 PHE 72 -10.965 -8.144 -3.618 563 HD1 PHE 72 HD1 PHE 72 -13.978 -7.849 -5.780 564 HD2 PHE 72 HD2 PHE 72 -12.185 -9.771 -2.386 565 HE1 PHE 72 HE1 PHE 72 -15.913 -9.385 -5.635 566 HE2 PHE 72 HE2 PHE 72 -14.125 -11.316 -2.239 567 HZ PHE 72 HZ PHE 72 -15.989 -11.119 -3.864 568 H GLU 73 HN GLU 73 -10.832 -7.029 -1.602 569 HA GLU 73 HA GLU 73 -12.879 -7.862 0.232 570 1HB GLU 73 HB2 GLU 73 -10.026 -6.888 0.590 571 2HB GLU 73 HB1 GLU 73 -10.959 -7.722 1.833 572 1HG GLU 73 HG2 GLU 73 -10.433 -8.874 -0.916 573 2HG GLU 73 HG1 GLU 73 -9.438 -9.235 0.495 574 H GLY 74 HN GLY 74 -11.562 -4.774 -0.646 575 1HA GLY 74 HA2 GLY 74 -12.828 -2.740 -0.116 576 2HA GLY 74 HA1 GLY 74 -13.293 -3.488 1.416 577 H VAL 75 HN VAL 75 -10.048 -4.103 0.552 578 HA VAL 75 HA VAL 75 -9.131 -2.353 2.752 579 HB VAL 75 HB VAL 75 -7.580 -4.248 0.961 580 1HG1 VAL 75 HG11 VAL 75 -6.585 -4.171 3.593 581 2HG1 VAL 75 HG12 VAL 75 -6.924 -2.494 3.169 582 3HG1 VAL 75 HG13 VAL 75 -5.846 -3.457 2.161 583 1HG2 VAL 75 HG21 VAL 75 -8.092 -6.011 2.434 584 2HG2 VAL 75 HG22 VAL 75 -9.640 -5.185 2.267 585 3HG2 VAL 75 HG23 VAL 75 -8.646 -4.918 3.699 586 H VAL 76 HN VAL 76 -8.843 -0.235 2.110 587 HA VAL 76 HA VAL 76 -7.238 0.222 -0.381 588 HB VAL 76 HB VAL 76 -9.192 2.181 0.825 589 1HG1 VAL 76 HG11 VAL 76 -7.650 1.840 -1.700 590 2HG1 VAL 76 HG12 VAL 76 -8.072 3.314 -0.830 591 3HG1 VAL 76 HG13 VAL 76 -9.270 2.520 -1.851 592 1HG2 VAL 76 HG21 VAL 76 -9.817 -0.384 -0.360 593 2HG2 VAL 76 HG22 VAL 76 -10.384 0.912 -1.413 594 3HG2 VAL 76 HG23 VAL 76 -10.921 0.842 0.265 595 H VAL 77 HN VAL 77 -5.277 1.088 0.093 596 HA VAL 77 HA VAL 77 -4.999 2.888 2.484 597 HB VAL 77 HB VAL 77 -2.796 1.642 2.815 598 1HG1 VAL 77 HG11 VAL 77 -5.369 0.064 3.070 599 2HG1 VAL 77 HG12 VAL 77 -4.733 1.205 4.253 600 3HG1 VAL 77 HG13 VAL 77 -3.867 -0.294 3.918 601 1HG2 VAL 77 HG21 VAL 77 -3.880 -0.708 1.400 602 2HG2 VAL 77 HG22 VAL 77 -2.233 -0.080 1.439 603 3HG2 VAL 77 HG23 VAL 77 -3.416 0.620 0.336 604 HA PRO 78 HA PRO 78 -2.424 5.256 -0.225 605 1HB PRO 78 HB2 PRO 78 -0.342 5.959 1.424 606 2HB PRO 78 HB1 PRO 78 -1.951 6.702 1.535 607 1HG PRO 78 HG2 PRO 78 -0.757 4.524 3.173 608 2HG PRO 78 HG1 PRO 78 -1.737 5.905 3.690 609 1HD PRO 78 HD2 PRO 78 -2.773 3.425 3.429 610 2HD PRO 78 HD1 PRO 78 -3.721 4.893 3.089 611 H ALA 79 HN ALA 79 -1.843 3.421 -1.545 612 HA ALA 79 HA ALA 79 0.502 1.808 -0.724 613 1HB ALA 79 HB1 ALA 79 -1.949 1.540 -2.239 614 2HB ALA 79 HB2 ALA 79 -0.894 0.277 -1.604 615 3HB ALA 79 HB3 ALA 79 -0.574 0.981 -3.191 616 H ILE 80 HN ILE 80 2.481 2.076 -1.622 617 HA ILE 80 HA ILE 80 2.825 4.010 -3.856 618 HB ILE 80 HB ILE 80 4.760 2.600 -1.979 619 1HG1 ILE 80 HG12 ILE 80 3.681 5.427 -1.856 620 2HG1 ILE 80 HG11 ILE 80 3.029 4.095 -0.905 621 1HG2 ILE 80 HG21 ILE 80 6.339 4.333 -2.659 622 2HG2 ILE 80 HG22 ILE 80 5.126 5.058 -3.713 623 3HG2 ILE 80 HG23 ILE 80 5.774 3.459 -4.082 624 1HD1 ILE 80 HD11 ILE 80 5.150 3.775 0.212 625 2HD1 ILE 80 HD12 ILE 80 4.725 5.482 0.328 626 3HD1 ILE 80 HD13 ILE 80 5.933 4.951 -0.841 627 H VAL 81 HN VAL 81 3.284 3.223 -5.920 628 HA VAL 81 HA VAL 81 3.754 0.277 -6.180 629 HB VAL 81 HB VAL 81 2.813 2.357 -8.180 630 1HG1 VAL 81 HG11 VAL 81 2.645 0.677 -9.705 631 2HG1 VAL 81 HG12 VAL 81 2.132 -0.499 -8.495 632 3HG1 VAL 81 HG13 VAL 81 3.845 -0.125 -8.689 633 1HG2 VAL 81 HG21 VAL 81 0.769 0.509 -7.446 634 2HG2 VAL 81 HG22 VAL 81 0.808 2.246 -7.146 635 3HG2 VAL 81 HG23 VAL 81 1.467 1.128 -5.953 636 H VAL 82 HN VAL 82 5.555 -0.499 -7.214 637 HA VAL 82 HA VAL 82 7.588 1.501 -8.151 638 HB VAL 82 HB VAL 82 8.041 -1.348 -7.235 639 1HG1 VAL 82 HG11 VAL 82 9.957 0.897 -6.811 640 2HG1 VAL 82 HG12 VAL 82 9.749 0.301 -8.459 641 3HG1 VAL 82 HG13 VAL 82 10.274 -0.798 -7.183 642 1HG2 VAL 82 HG21 VAL 82 8.396 1.008 -5.406 643 2HG2 VAL 82 HG22 VAL 82 8.191 -0.694 -5.001 644 3HG2 VAL 82 HG23 VAL 82 6.811 0.252 -5.548 645 H GLY 83 HN GLY 83 8.804 0.927 -10.069 646 1HA GLY 83 HA2 GLY 83 9.288 -0.363 -12.014 647 2HA GLY 83 HA1 GLY 83 8.024 -1.496 -11.547 648 H ASP 84 HN ASP 84 8.326 1.920 -12.584 649 HA ASP 84 HA ASP 84 5.944 1.437 -14.337 650 1HB ASP 84 HB2 ASP 84 5.239 3.736 -13.735 651 2HB ASP 84 HB1 ASP 84 5.379 2.724 -12.298 652 H ARG 85 HN ARG 85 5.867 3.144 -16.113 653 HA ARG 85 HA ARG 85 8.524 4.254 -16.846 654 1HB ARG 85 HB2 ARG 85 6.921 2.135 -18.272 655 2HB ARG 85 HB1 ARG 85 8.165 3.078 -19.098 656 1HG ARG 85 HG2 ARG 85 9.773 2.393 -17.308 657 2HG ARG 85 HG1 ARG 85 8.528 1.327 -16.658 658 1HD ARG 85 HD2 ARG 85 8.520 -0.036 -18.606 659 2HD ARG 85 HD1 ARG 85 9.416 1.176 -19.544 660 HE ARG 85 HE ARG 85 10.844 0.328 -17.155 661 1HH1 ARG 85 HH11 ARG 85 10.077 -0.410 -20.440 662 2HH1 ARG 85 HH12 ARG 85 11.558 -1.258 -20.727 663 1HH2 ARG 85 HH21 ARG 85 12.773 -0.763 -17.517 664 2HH2 ARG 85 HH22 ARG 85 13.086 -1.457 -19.072 665 H ASP 86 HN ASP 86 8.316 5.604 -18.878 666 HA ASP 86 HA ASP 86 5.537 6.694 -19.199 667 1HB ASP 86 HB2 ASP 86 6.773 8.932 -19.432 668 2HB ASP 86 HB1 ASP 86 6.729 8.229 -17.814 669 H SER 87 HN SER 87 7.949 5.096 -20.754 670 HA SER 87 HA SER 87 7.543 6.569 -23.335 671 1HB SER 87 HB2 SER 87 9.735 4.715 -22.383 672 2HB SER 87 HB1 SER 87 9.708 5.537 -23.940 673 HG SER 87 HG SER 87 10.626 7.103 -22.883 674 H GLU 88 HN GLU 88 7.273 3.450 -21.734 675 HA GLU 88 HA GLU 88 6.722 2.030 -24.264 676 1HB GLU 88 HB2 GLU 88 6.493 0.114 -22.664 677 2HB GLU 88 HB1 GLU 88 8.015 0.981 -22.481 678 1HG GLU 88 HG2 GLU 88 7.393 1.939 -20.466 679 2HG GLU 88 HG1 GLU 88 5.669 1.852 -20.843 680 H ASP 89 HN ASP 89 4.941 4.178 -23.675 681 HA ASP 89 HA ASP 89 2.527 3.546 -22.362 682 1HB ASP 89 HB2 ASP 89 3.589 5.631 -23.718 683 2HB ASP 89 HB1 ASP 89 2.432 5.053 -24.918 684 HA PRO 90 HA PRO 90 0.953 1.860 -26.580 685 1HB PRO 90 HB2 PRO 90 2.850 0.845 -28.283 686 2HB PRO 90 HB1 PRO 90 2.277 2.525 -28.357 687 1HG PRO 90 HG2 PRO 90 4.747 1.431 -27.098 688 2HG PRO 90 HG1 PRO 90 4.536 2.894 -28.071 689 1HD PRO 90 HD2 PRO 90 4.711 2.964 -25.394 690 2HD PRO 90 HD1 PRO 90 3.706 4.117 -26.301 691 H ASP 91 HN ASP 91 4.052 0.237 -25.853 692 HA ASP 91 HA ASP 91 3.072 -2.439 -25.917 693 1HB ASP 91 HB2 ASP 91 5.289 -1.170 -24.264 694 2HB ASP 91 HB1 ASP 91 5.148 -2.884 -24.649 695 H GLU 92 HN GLU 92 3.296 -0.073 -23.276 696 HA GLU 92 HA GLU 92 1.255 -1.606 -21.767 697 1HB GLU 92 HB2 GLU 92 4.131 -1.248 -21.093 698 2HB GLU 92 HB1 GLU 92 2.983 -1.100 -19.763 699 1HG GLU 92 HG2 GLU 92 2.122 -3.329 -21.242 700 2HG GLU 92 HG1 GLU 92 3.876 -3.488 -21.142 701 HA PRO 93 HA PRO 93 0.187 2.733 -21.448 702 1HB PRO 93 HB2 PRO 93 -2.288 2.284 -20.374 703 2HB PRO 93 HB1 PRO 93 -1.945 2.149 -22.110 704 1HG PRO 93 HG2 PRO 93 -2.186 0.007 -20.052 705 2HG PRO 93 HG1 PRO 93 -2.750 0.030 -21.729 706 1HD PRO 93 HD2 PRO 93 -0.503 -1.270 -20.944 707 2HD PRO 93 HD1 PRO 93 -0.707 -0.579 -22.569 708 H ALA 94 HN ALA 94 0.327 0.311 -18.939 709 HA ALA 94 HA ALA 94 0.588 0.534 -16.590 710 1HB ALA 94 HB1 ALA 94 2.427 1.840 -16.318 711 2HB ALA 94 HB2 ALA 94 1.506 3.297 -16.696 712 3HB ALA 94 HB3 ALA 94 2.226 2.346 -17.994 713 H LYS 95 HN LYS 95 -2.003 1.145 -17.616 714 HA LYS 95 HA LYS 95 -3.042 3.675 -16.809 715 1HB LYS 95 HB2 LYS 95 -4.008 1.742 -18.252 716 2HB LYS 95 HB1 LYS 95 -4.548 1.056 -16.720 717 1HG LYS 95 HG2 LYS 95 -5.963 2.887 -16.260 718 2HG LYS 95 HG1 LYS 95 -5.151 3.922 -17.434 719 1HD LYS 95 HD2 LYS 95 -7.116 3.321 -18.566 720 2HD LYS 95 HD1 LYS 95 -5.949 2.148 -19.179 721 1HE LYS 95 HE2 LYS 95 -7.863 0.846 -18.578 722 2HE LYS 95 HE1 LYS 95 -6.743 0.638 -17.214 723 1HZ LYS 95 HZ1 LYS 95 -9.019 1.304 -16.526 724 2HZ LYS 95 HZ2 LYS 95 -8.814 2.765 -17.366 725 3HZ LYS 95 HZ3 LYS 95 -7.820 2.400 -16.038 726 H GLU 96 HN GLU 96 -4.066 4.299 -14.838 727 HA GLU 96 HA GLU 96 -2.916 3.280 -12.413 728 1HB GLU 96 HB2 GLU 96 -5.375 4.987 -12.930 729 2HB GLU 96 HB1 GLU 96 -4.521 4.869 -11.392 730 1HG GLU 96 HG2 GLU 96 -2.490 5.781 -12.407 731 2HG GLU 96 HG1 GLU 96 -3.275 5.827 -13.985 732 H GLN 97 HN GLN 97 -3.716 0.938 -13.245 733 HA GLN 97 HA GLN 97 -6.382 0.360 -11.993 734 1HB GLN 97 HB2 GLN 97 -6.500 -1.474 -13.559 735 2HB GLN 97 HB1 GLN 97 -5.982 -0.057 -14.476 736 1HG GLN 97 HG2 GLN 97 -3.612 -0.777 -14.178 737 2HG GLN 97 HG1 GLN 97 -4.184 -2.232 -13.365 738 1HE2 GLN 97 HE21 GLN 97 -2.833 -3.034 -15.438 739 2HE2 GLN 97 HE22 GLN 97 -3.779 -3.361 -16.809 740 H LEU 98 HN LEU 98 -3.058 0.081 -11.563 741 HA LEU 98 HA LEU 98 -2.680 -2.523 -10.517 742 1HB LEU 98 HB2 LEU 98 -1.478 0.182 -9.832 743 2HB LEU 98 HB1 LEU 98 -0.772 -1.371 -9.377 744 HG LEU 98 HG LEU 98 -1.447 -0.713 -12.238 745 1HD1 LEU 98 HD11 LEU 98 0.251 0.769 -12.268 746 2HD1 LEU 98 HD12 LEU 98 1.343 -0.565 -11.900 747 3HD1 LEU 98 HD13 LEU 98 0.667 0.408 -10.592 748 1HD2 LEU 98 HD21 LEU 98 -0.380 -2.948 -10.746 749 2HD2 LEU 98 HD22 LEU 98 0.776 -2.416 -11.967 750 3HD2 LEU 98 HD23 LEU 98 -0.861 -2.875 -12.441 751 H TYR 99 HN TYR 99 -3.910 0.469 -9.152 752 HA TYR 99 HA TYR 99 -5.137 -1.029 -6.934 753 1HB TYR 99 HB2 TYR 99 -2.606 -0.213 -6.600 754 2HB TYR 99 HB1 TYR 99 -3.414 1.302 -6.209 755 HD1 TYR 99 HD1 TYR 99 -5.920 -0.660 -5.279 756 HD2 TYR 99 HD2 TYR 99 -1.821 -0.036 -4.147 757 HE1 TYR 99 HE1 TYR 99 -6.421 -1.511 -3.008 758 HE2 TYR 99 HE2 TYR 99 -2.326 -0.888 -1.873 759 HH TYR 99 HH TYR 99 -5.626 -1.929 -0.995 760 H HIS 100 HN HIS 100 -5.365 1.471 -5.393 761 HA HIS 100 HA HIS 100 -7.713 2.623 -6.698 762 1HB HIS 100 HB2 HIS 100 -7.661 4.050 -4.600 763 2HB HIS 100 HB1 HIS 100 -7.663 2.310 -4.304 764 HD2 HIS 100 HD2 HIS 100 -6.243 3.460 -1.825 765 HE1 HIS 100 HE1 HIS 100 -2.550 3.200 -3.845 766 HE2 HIS 100 HE2 HIS 100 -3.662 3.366 -1.617 767 H SER 101 HN SER 101 -7.764 5.218 -6.465 768 HA SER 101 HA SER 101 -5.784 6.222 -8.379 769 1HB SER 101 HB2 SER 101 -7.929 7.740 -6.893 770 2HB SER 101 HB1 SER 101 -7.281 8.065 -8.498 771 HG SER 101 HG SER 101 -9.073 6.094 -7.630 772 H ALA 102 HN ALA 102 -5.716 5.919 -5.039 773 HA ALA 102 HA ALA 102 -4.350 8.507 -4.526 774 1HB ALA 102 HB1 ALA 102 -4.871 8.031 -2.323 775 2HB ALA 102 HB2 ALA 102 -4.562 6.305 -2.518 776 3HB ALA 102 HB3 ALA 102 -6.074 7.004 -3.102 777 H GLU 103 HN GLU 103 -3.671 5.145 -5.090 778 HA GLU 103 HA GLU 103 -1.261 4.533 -3.964 779 1HB GLU 103 HB2 GLU 103 -1.045 3.022 -5.743 780 2HB GLU 103 HB1 GLU 103 -2.760 3.417 -5.812 781 1HG GLU 103 HG2 GLU 103 -2.188 5.222 -7.491 782 2HG GLU 103 HG1 GLU 103 -0.550 4.571 -7.529 783 H LEU 104 HN LEU 104 0.800 5.321 -3.996 784 HA LEU 104 HA LEU 104 1.416 7.582 -5.827 785 1HB LEU 104 HB2 LEU 104 2.144 6.714 -3.152 786 2HB LEU 104 HB1 LEU 104 3.584 7.028 -4.125 787 HG LEU 104 HG LEU 104 2.601 9.225 -4.788 788 1HD1 LEU 104 HD11 LEU 104 0.407 9.559 -4.416 789 2HD1 LEU 104 HD12 LEU 104 0.731 9.560 -2.682 790 3HD1 LEU 104 HD13 LEU 104 0.306 8.057 -3.500 791 1HD2 LEU 104 HD21 LEU 104 3.955 8.553 -2.506 792 2HD2 LEU 104 HD22 LEU 104 2.534 9.356 -1.833 793 3HD2 LEU 104 HD23 LEU 104 3.573 10.210 -2.975 794 H HIS 105 HN HIS 105 3.375 7.460 -7.125 795 HA HIS 105 HA HIS 105 4.186 4.634 -7.710 796 1HB HIS 105 HB2 HIS 105 3.762 7.108 -9.359 797 2HB HIS 105 HB1 HIS 105 4.820 5.827 -9.951 798 HD1 HIS 105 HD1 HIS 105 2.985 5.381 -11.843 799 HD2 HIS 105 HD2 HIS 105 1.737 4.577 -7.946 800 HE1 HIS 105 HE1 HIS 105 0.890 3.972 -12.037 801 H LEU 106 HN LEU 106 6.357 4.167 -7.786 802 HA LEU 106 HA LEU 106 8.276 6.411 -7.289 803 1HB LEU 106 HB2 LEU 106 7.661 5.225 -5.197 804 2HB LEU 106 HB1 LEU 106 8.186 3.704 -5.925 805 HG LEU 106 HG LEU 106 10.460 4.516 -6.125 806 1HD1 LEU 106 HD11 LEU 106 10.402 6.774 -6.633 807 2HD1 LEU 106 HD12 LEU 106 10.810 6.864 -4.920 808 3HD1 LEU 106 HD13 LEU 106 9.145 7.117 -5.444 809 1HD2 LEU 106 HD21 LEU 106 9.866 5.512 -3.391 810 2HD2 LEU 106 HD22 LEU 106 10.995 4.260 -3.910 811 3HD2 LEU 106 HD23 LEU 106 9.276 3.893 -3.764 812 H GLY 107 HN GLY 107 9.951 6.345 -8.733 813 1HA GLY 107 HA2 GLY 107 10.194 4.395 -10.772 814 2HA GLY 107 HA1 GLY 107 11.483 5.506 -10.300 815 H ILE 108 HN ILE 108 11.632 2.593 -10.984 816 HA ILE 108 HA ILE 108 12.001 0.961 -8.704 817 HB ILE 108 HB ILE 108 13.248 1.099 -11.454 818 1HG1 ILE 108 HG12 ILE 108 11.027 -0.600 -10.283 819 2HG1 ILE 108 HG11 ILE 108 10.803 0.773 -11.370 820 1HG2 ILE 108 HG21 ILE 108 13.588 -1.420 -10.926 821 2HG2 ILE 108 HG22 ILE 108 13.502 -0.905 -9.241 822 3HG2 ILE 108 HG23 ILE 108 14.755 -0.254 -10.302 823 1HD1 ILE 108 HD11 ILE 108 12.514 -0.559 -12.880 824 2HD1 ILE 108 HD12 ILE 108 10.804 -0.981 -12.896 825 3HD1 ILE 108 HD13 ILE 108 11.938 -1.937 -11.944 826 H HIS 109 HN HIS 109 14.297 3.108 -10.421 827 HA HIS 109 HA HIS 109 16.462 2.469 -8.523 828 1HB HIS 109 HB2 HIS 109 17.701 4.086 -9.936 829 2HB HIS 109 HB1 HIS 109 16.869 2.889 -10.931 830 HD1 HIS 109 HD1 HIS 109 15.458 3.827 -12.751 831 HD2 HIS 109 HD2 HIS 109 16.005 6.587 -9.675 832 HE1 HIS 109 HE1 HIS 109 14.353 5.975 -13.511 833 H GLN 110 HN GLN 110 13.732 4.121 -8.138 834 HA GLN 110 HA GLN 110 14.921 6.522 -6.834 835 1HB GLN 110 HB2 GLN 110 12.060 5.739 -7.466 836 2HB GLN 110 HB1 GLN 110 12.599 7.321 -6.913 837 1HG GLN 110 HG2 GLN 110 14.119 7.337 -8.993 838 2HG GLN 110 HG1 GLN 110 13.126 5.992 -9.566 839 1HE2 GLN 110 HE21 GLN 110 11.915 7.103 -11.203 840 2HE2 GLN 110 HE22 GLN 110 10.880 8.402 -10.856 841 H LEU 111 HN LEU 111 14.951 3.693 -5.736 842 HA LEU 111 HA LEU 111 12.985 3.606 -3.608 843 1HB LEU 111 HB2 LEU 111 15.550 2.159 -4.293 844 2HB LEU 111 HB1 LEU 111 14.636 1.773 -2.842 845 HG LEU 111 HG LEU 111 14.233 0.708 -5.409 846 1HD1 LEU 111 HD11 LEU 111 12.987 0.606 -2.738 847 2HD1 LEU 111 HD12 LEU 111 13.518 -0.705 -3.794 848 3HD1 LEU 111 HD13 LEU 111 11.954 0.065 -4.064 849 1HD2 LEU 111 HD21 LEU 111 11.941 2.570 -4.677 850 2HD2 LEU 111 HD22 LEU 111 11.909 1.360 -5.956 851 3HD2 LEU 111 HD23 LEU 111 12.994 2.742 -6.083 852 H GLU 112 HN GLU 112 13.083 5.383 -2.361 853 HA GLU 112 HA GLU 112 14.843 5.604 -0.170 854 1HB GLU 112 HB2 GLU 112 16.147 7.642 -1.070 855 2HB GLU 112 HB1 GLU 112 16.625 6.068 -1.705 856 1HG GLU 112 HG2 GLU 112 15.413 6.411 -3.736 857 2HG GLU 112 HG1 GLU 112 14.578 7.818 -3.079 858 H GLN 113 HN GLN 113 12.823 7.152 -2.566 859 HA GLN 113 HA GLN 113 12.082 9.454 -0.880 860 1HB GLN 113 HB2 GLN 113 11.233 8.280 -3.536 861 2HB GLN 113 HB1 GLN 113 10.433 9.690 -2.842 862 1HG GLN 113 HG2 GLN 113 12.519 10.925 -2.794 863 2HG GLN 113 HG1 GLN 113 13.421 9.495 -3.300 864 1HE2 GLN 113 HE21 GLN 113 13.739 9.277 -5.521 865 2HE2 GLN 113 HE22 GLN 113 12.858 10.105 -6.714 866 H LEU 114 HN LEU 114 11.313 6.224 -0.813 867 HA LEU 114 HA LEU 114 8.544 5.986 -0.644 868 1HB LEU 114 HB2 LEU 114 10.887 4.695 0.710 869 2HB LEU 114 HB1 LEU 114 9.241 4.182 1.093 870 HG LEU 114 HG LEU 114 9.408 4.425 -1.730 871 1HD1 LEU 114 HD11 LEU 114 11.852 3.374 -0.434 872 2HD1 LEU 114 HD12 LEU 114 11.632 4.038 -2.054 873 3HD1 LEU 114 HD13 LEU 114 11.182 2.366 -1.716 874 1HD2 LEU 114 HD21 LEU 114 8.085 2.877 -0.094 875 2HD2 LEU 114 HD22 LEU 114 9.494 1.826 -0.219 876 3HD2 LEU 114 HD23 LEU 114 8.568 2.237 -1.662 877 HA PRO 115 HA PRO 115 8.690 7.129 4.020 878 1HB PRO 115 HB2 PRO 115 10.653 8.918 4.757 879 2HB PRO 115 HB1 PRO 115 10.812 7.159 4.943 880 1HG PRO 115 HG2 PRO 115 11.871 8.940 2.796 881 2HG PRO 115 HG1 PRO 115 12.652 7.577 3.619 882 1HD PRO 115 HD2 PRO 115 11.602 7.338 1.154 883 2HD PRO 115 HD1 PRO 115 11.564 5.995 2.317 884 H TYR 116 HN TYR 116 10.231 9.739 2.084 885 HA TYR 116 HA TYR 116 8.358 11.752 2.890 886 1HB TYR 116 HB2 TYR 116 9.919 12.934 1.743 887 2HB TYR 116 HB1 TYR 116 10.664 11.421 1.246 888 HD1 TYR 116 HD1 TYR 116 10.849 10.980 -1.020 889 HD2 TYR 116 HD2 TYR 116 7.735 13.589 0.365 890 HE1 TYR 116 HE1 TYR 116 10.186 11.431 -3.369 891 HE2 TYR 116 HE2 TYR 116 7.073 14.041 -1.980 892 HH TYR 116 HH TYR 116 8.554 12.306 -4.680 893 H GLN 117 HN GLN 117 8.416 9.379 0.269 894 HA GLN 117 HA GLN 117 6.022 10.206 -1.091 895 1HB GLN 117 HB2 GLN 117 7.664 7.693 -0.846 896 2HB GLN 117 HB1 GLN 117 6.158 7.685 -1.766 897 1HG GLN 117 HG2 GLN 117 8.073 9.919 -2.282 898 2HG GLN 117 HG1 GLN 117 8.484 8.325 -2.922 899 1HE2 GLN 117 HE21 GLN 117 7.017 11.099 -3.892 900 2HE2 GLN 117 HE22 GLN 117 5.861 10.473 -4.964 901 H VAL 118 HN VAL 118 6.609 7.918 1.563 902 HA VAL 118 HA VAL 118 3.957 6.874 1.775 903 HB VAL 118 HB VAL 118 6.376 7.171 3.541 904 1HG1 VAL 118 HG11 VAL 118 3.692 6.077 4.457 905 2HG1 VAL 118 HG12 VAL 118 4.475 7.531 5.076 906 3HG1 VAL 118 HG13 VAL 118 5.205 5.952 5.353 907 1HG2 VAL 118 HG21 VAL 118 4.741 4.802 2.577 908 2HG2 VAL 118 HG22 VAL 118 6.243 4.702 3.496 909 3HG2 VAL 118 HG23 VAL 118 6.251 5.363 1.862 910 H ASP 119 HN ASP 119 5.547 9.611 3.447 911 HA ASP 119 HA ASP 119 3.306 10.409 5.030 912 1HB ASP 119 HB2 ASP 119 5.657 11.879 3.786 913 2HB ASP 119 HB1 ASP 119 4.567 12.625 4.957 914 H ALA 120 HN ALA 120 4.336 11.222 1.747 915 HA ALA 120 HA ALA 120 2.207 13.113 1.199 916 1HB ALA 120 HB1 ALA 120 3.584 11.508 -0.919 917 2HB ALA 120 HB2 ALA 120 4.583 12.534 0.110 918 3HB ALA 120 HB3 ALA 120 3.288 13.246 -0.853 919 H ALA 121 HN ALA 121 2.738 9.637 0.592 920 HA ALA 121 HA ALA 121 0.314 9.190 -0.887 921 1HB ALA 121 HB1 ALA 121 2.437 7.721 -0.575 922 2HB ALA 121 HB2 ALA 121 0.887 6.881 -0.572 923 3HB ALA 121 HB3 ALA 121 1.708 7.220 0.951 924 H LEU 122 HN LEU 122 1.120 9.216 2.571 925 HA LEU 122 HA LEU 122 -1.280 8.122 3.626 926 1HB LEU 122 HB2 LEU 122 0.766 10.142 4.566 927 2HB LEU 122 HB1 LEU 122 -0.597 9.710 5.592 928 HG LEU 122 HG LEU 122 1.162 7.582 4.373 929 1HD1 LEU 122 HD11 LEU 122 1.794 9.473 6.552 930 2HD1 LEU 122 HD12 LEU 122 2.874 8.441 5.608 931 3HD1 LEU 122 HD13 LEU 122 1.992 7.776 6.986 932 1HD2 LEU 122 HD21 LEU 122 0.204 7.005 6.994 933 2HD2 LEU 122 HD22 LEU 122 -0.284 6.249 5.476 934 3HD2 LEU 122 HD23 LEU 122 -1.150 7.666 6.075 935 H ALA 123 HN ALA 123 -0.485 11.625 3.355 936 HA ALA 123 HA ALA 123 -3.127 12.548 3.905 937 1HB ALA 123 HB1 ALA 123 -0.906 13.740 2.213 938 2HB ALA 123 HB2 ALA 123 -1.065 13.903 3.962 939 3HB ALA 123 HB3 ALA 123 -2.261 14.643 2.896 940 H GLU 124 HN GLU 124 -1.547 11.647 0.839 941 HA GLU 124 HA GLU 124 -3.596 12.503 -0.950 942 1HB GLU 124 HB2 GLU 124 -1.223 11.667 -1.405 943 2HB GLU 124 HB1 GLU 124 -1.856 10.033 -1.197 944 1HG GLU 124 HG2 GLU 124 -1.921 10.519 -3.554 945 2HG GLU 124 HG1 GLU 124 -3.584 10.590 -2.966 946 H PHE 125 HN PHE 125 -3.169 9.461 0.878 947 HA PHE 125 HA PHE 125 -5.486 8.121 -0.262 948 1HB PHE 125 HB2 PHE 125 -3.708 6.831 0.684 949 2HB PHE 125 HB1 PHE 125 -3.717 7.780 2.168 950 HD1 PHE 125 HD1 PHE 125 -5.052 7.150 4.002 951 HD2 PHE 125 HD2 PHE 125 -5.790 5.396 0.149 952 HE1 PHE 125 HE1 PHE 125 -6.626 5.544 5.042 953 HE2 PHE 125 HE2 PHE 125 -7.371 3.786 1.193 954 HZ PHE 125 HZ PHE 125 -7.786 3.860 3.635 955 H LEU 126 HN LEU 126 -4.887 9.814 2.837 956 HA LEU 126 HA LEU 126 -7.491 9.453 3.941 957 1HB LEU 126 HB2 LEU 126 -5.351 11.576 4.281 958 2HB LEU 126 HB1 LEU 126 -6.754 11.423 5.343 959 HG LEU 126 HG LEU 126 -4.722 9.230 4.825 960 1HD1 LEU 126 HD11 LEU 126 -3.521 10.008 6.576 961 2HD1 LEU 126 HD12 LEU 126 -4.972 10.207 7.559 962 3HD1 LEU 126 HD13 LEU 126 -4.467 11.492 6.460 963 1HD2 LEU 126 HD21 LEU 126 -7.291 9.434 6.352 964 2HD2 LEU 126 HD22 LEU 126 -6.002 8.429 7.011 965 3HD2 LEU 126 HD23 LEU 126 -6.654 8.085 5.409 966 H ARG 127 HN ARG 127 -6.150 12.094 1.948 967 HA ARG 127 HA ARG 127 -8.488 13.762 2.001 968 1HB ARG 127 HB2 ARG 127 -6.094 14.312 1.290 969 2HB ARG 127 HB1 ARG 127 -6.458 13.491 -0.228 970 1HG ARG 127 HG2 ARG 127 -8.414 15.027 -0.537 971 2HG ARG 127 HG1 ARG 127 -7.904 15.899 0.909 972 1HD ARG 127 HD2 ARG 127 -5.709 16.377 -0.164 973 2HD ARG 127 HD1 ARG 127 -6.282 15.569 -1.636 974 HE ARG 127 HE ARG 127 -8.306 17.351 -1.107 975 1HH1 ARG 127 HH11 ARG 127 -4.870 17.595 -1.329 976 2HH1 ARG 127 HH12 ARG 127 -4.892 19.216 -1.934 977 1HH2 ARG 127 HH21 ARG 127 -8.353 19.462 -1.898 978 2HH2 ARG 127 HH22 ARG 127 -6.865 20.273 -2.257 979 H LEU 128 HN LEU 128 -7.428 11.166 -0.180 980 HA LEU 128 HA LEU 128 -9.744 11.478 -1.948 981 1HB LEU 128 HB2 LEU 128 -7.238 9.920 -1.749 982 2HB LEU 128 HB1 LEU 128 -8.566 9.074 -2.543 983 HG LEU 128 HG LEU 128 -8.891 11.231 -3.915 984 1HD1 LEU 128 HD11 LEU 128 -6.115 11.961 -3.776 985 2HD1 LEU 128 HD12 LEU 128 -6.822 12.067 -2.163 986 3HD1 LEU 128 HD13 LEU 128 -7.533 12.973 -3.499 987 1HD2 LEU 128 HD21 LEU 128 -8.029 9.422 -5.133 988 2HD2 LEU 128 HD22 LEU 128 -6.574 9.324 -4.143 989 3HD2 LEU 128 HD23 LEU 128 -6.754 10.627 -5.318 990 H ALA 129 HN ALA 129 -9.300 10.062 1.097 991 HA ALA 129 HA ALA 129 -10.801 7.619 0.792 992 1HB ALA 129 HB1 ALA 129 -9.214 8.753 2.671 993 2HB ALA 129 HB2 ALA 129 -10.286 7.390 2.998 994 3HB ALA 129 HB3 ALA 129 -10.800 9.033 3.386 995 HA PRO 130 HA PRO 130 -12.234 6.337 1.187 996 1HB PRO 130 HB2 PRO 130 -14.307 5.509 -0.400 997 2HB PRO 130 HB1 PRO 130 -14.414 5.580 1.371 998 1HG PRO 130 HG2 PRO 130 -15.428 7.501 -0.660 999 2HG PRO 130 HG1 PRO 130 -16.171 6.954 0.848 1000 1HD PRO 130 HD2 PRO 130 -14.943 9.355 0.602 1001 2HD PRO 130 HD1 PRO 130 -15.010 8.448 2.131 1002 H VAL 131 HN VAL 131 -10.927 5.570 -0.482 1003 HA VAL 131 HA VAL 131 -10.550 7.274 -2.848 1004 HB VAL 131 HB VAL 131 -9.274 4.591 -2.361 1005 1HG1 VAL 131 HG11 VAL 131 -8.774 5.988 -4.396 1006 2HG1 VAL 131 HG12 VAL 131 -7.362 5.624 -3.408 1007 3HG1 VAL 131 HG13 VAL 131 -8.111 7.218 -3.321 1008 1HG2 VAL 131 HG21 VAL 131 -7.586 6.319 -1.078 1009 2HG2 VAL 131 HG22 VAL 131 -8.773 5.307 -0.254 1010 3HG2 VAL 131 HG23 VAL 131 -9.156 6.989 -0.624 1011 H GLU 132 HN GLU 132 -10.646 6.414 -5.052 1012 HA GLU 132 HA GLU 132 -12.861 4.476 -5.399 1013 1HB GLU 132 HB2 GLU 132 -12.622 6.735 -6.593 1014 2HB GLU 132 HB1 GLU 132 -11.304 5.996 -7.505 1015 1HG GLU 132 HG2 GLU 132 -12.797 4.258 -8.339 1016 2HG GLU 132 HG1 GLU 132 -14.119 4.882 -7.352 1017 H THR 133 HN THR 133 -12.282 2.356 -5.522 1018 HA THR 133 HA THR 133 -9.587 1.666 -6.609 1019 HB THR 133 HB THR 133 -10.392 -0.604 -5.496 1020 HG1 THR 133 HG1 THR 133 -11.698 0.521 -3.573 1021 1HG2 THR 133 HG21 THR 133 -9.653 0.382 -3.232 1022 2HG2 THR 133 HG22 THR 133 -9.488 1.913 -4.091 1023 3HG2 THR 133 HG23 THR 133 -8.519 0.521 -4.575 1024 H MET 134 HN MET 134 -9.481 0.542 -8.530 1025 HA MET 134 HA MET 134 -11.696 0.385 -10.304 1026 1HB MET 134 HB2 MET 134 -9.106 -1.207 -10.210 1027 2HB MET 134 HB1 MET 134 -10.120 -0.987 -11.636 1028 1HG MET 134 HG2 MET 134 -8.977 1.346 -10.090 1029 2HG MET 134 HG1 MET 134 -8.125 0.594 -11.434 1030 1HE MET 134 HE1 MET 134 -8.330 1.909 -13.799 1031 2HE MET 134 HE2 MET 134 -9.848 1.386 -14.527 1032 3HE MET 134 HE3 MET 134 -8.889 0.243 -13.591 1033 H ALA 135 HN ALA 135 -10.349 -1.980 -8.036 1034 HA ALA 135 HA ALA 135 -12.463 -3.941 -8.826 1035 1HB ALA 135 HB1 ALA 135 -9.701 -4.001 -7.855 1036 2HB ALA 135 HB2 ALA 135 -10.616 -5.250 -8.702 1037 3HB ALA 135 HB3 ALA 135 -10.753 -5.090 -6.950 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -3.964 8.533 18.442 2 2H MET 1 HT2 MET 1 -2.509 9.227 18.980 3 3H MET 1 HT3 MET 1 -3.664 8.681 20.103 4 HA MET 1 HA MET 1 -1.970 7.036 20.055 5 1HB MET 1 HB2 MET 1 -4.471 6.423 18.466 6 2HB MET 1 HB1 MET 1 -3.396 5.170 19.094 7 1HG MET 1 HG2 MET 1 -3.673 6.243 21.380 8 2HG MET 1 HG1 MET 1 -4.951 7.232 20.675 9 1HE MET 1 HE1 MET 1 -6.564 6.474 19.271 10 2HE MET 1 HE2 MET 1 -7.801 5.635 20.202 11 3HE MET 1 HE3 MET 1 -6.987 4.802 18.878 12 H LEU 2 HN LEU 2 -0.845 8.690 18.108 13 HA LEU 2 HA LEU 2 -0.693 7.584 15.469 14 1HB LEU 2 HB2 LEU 2 0.056 9.835 16.107 15 2HB LEU 2 HB1 LEU 2 1.302 9.140 17.144 16 HG LEU 2 HG LEU 2 2.147 7.937 15.038 17 1HD1 LEU 2 HD11 LEU 2 -0.116 9.446 13.999 18 2HD1 LEU 2 HD12 LEU 2 0.816 8.161 13.229 19 3HD1 LEU 2 HD13 LEU 2 1.373 9.833 13.137 20 1HD2 LEU 2 HD21 LEU 2 3.646 9.670 14.663 21 2HD2 LEU 2 HD22 LEU 2 2.949 10.200 16.195 22 3HD2 LEU 2 HD23 LEU 2 2.383 10.899 14.680 23 H SER 3 HN SER 3 1.157 6.982 18.429 24 HA SER 3 HA SER 3 2.862 5.404 18.891 25 1HB SER 3 HB2 SER 3 0.640 4.040 17.384 26 2HB SER 3 HB1 SER 3 2.028 3.107 17.935 27 HG SER 3 HG SER 3 -0.075 4.047 19.330 28 H GLN 4 HN GLN 4 2.240 3.624 15.990 29 HA GLN 4 HA GLN 4 4.622 4.833 14.644 30 1HB GLN 4 HB2 GLN 4 4.056 1.900 15.177 31 2HB GLN 4 HB1 GLN 4 5.356 2.489 14.147 32 1HG GLN 4 HG2 GLN 4 6.224 3.791 16.119 33 2HG GLN 4 HG1 GLN 4 5.021 2.969 17.115 34 1HE2 GLN 4 HE21 GLN 4 8.214 2.745 16.129 35 2HE2 GLN 4 HE22 GLN 4 8.448 1.077 16.337 36 H ILE 5 HN ILE 5 4.734 4.022 12.321 37 HA ILE 5 HA ILE 5 1.983 3.968 11.191 38 HB ILE 5 HB ILE 5 4.704 4.345 9.904 39 1HG1 ILE 5 HG12 ILE 5 2.697 6.505 10.551 40 2HG1 ILE 5 HG11 ILE 5 3.906 6.006 11.734 41 1HG2 ILE 5 HG21 ILE 5 3.087 3.718 8.246 42 2HG2 ILE 5 HG22 ILE 5 3.242 5.474 8.145 43 3HG2 ILE 5 HG23 ILE 5 1.855 4.756 8.962 44 1HD1 ILE 5 HD11 ILE 5 4.309 7.322 9.065 45 2HD1 ILE 5 HD12 ILE 5 5.590 6.319 9.754 46 3HD1 ILE 5 HD13 ILE 5 5.014 7.737 10.629 47 H ALA 6 HN ALA 6 1.225 2.184 10.138 48 HA ALA 6 HA ALA 6 2.926 -0.241 10.136 49 1HB ALA 6 HB1 ALA 6 0.364 0.295 10.860 50 2HB ALA 6 HB2 ALA 6 0.931 -1.309 10.395 51 3HB ALA 6 HB3 ALA 6 0.124 -0.278 9.210 52 H ILE 7 HN ILE 7 4.114 -0.463 8.297 53 HA ILE 7 HA ILE 7 2.787 0.201 5.697 54 HB ILE 7 HB ILE 7 5.682 0.238 6.574 55 1HG1 ILE 7 HG12 ILE 7 3.720 2.403 5.741 56 2HG1 ILE 7 HG11 ILE 7 4.402 2.165 7.350 57 1HG2 ILE 7 HG21 ILE 7 4.611 -0.258 4.014 58 2HG2 ILE 7 HG22 ILE 7 6.283 0.142 4.410 59 3HG2 ILE 7 HG23 ILE 7 5.142 1.423 3.993 60 1HD1 ILE 7 HD11 ILE 7 6.665 2.570 6.447 61 2HD1 ILE 7 HD12 ILE 7 5.603 3.951 6.169 62 3HD1 ILE 7 HD13 ILE 7 5.970 2.840 4.847 63 H CYS 8 HN CYS 8 2.220 -1.662 4.655 64 HA CYS 8 HA CYS 8 3.819 -4.131 5.148 65 1HB CYS 8 HB2 CYS 8 1.312 -3.970 5.505 66 2HB CYS 8 HB1 CYS 8 1.148 -3.757 3.763 67 HG CYS 8 HG CYS 8 2.540 -6.170 3.679 68 H ILE 9 HN ILE 9 5.278 -4.695 3.579 69 HA ILE 9 HA ILE 9 4.849 -3.591 0.828 70 HB ILE 9 HB ILE 9 6.864 -2.786 1.946 71 1HG1 ILE 9 HG12 ILE 9 7.543 -5.013 0.001 72 2HG1 ILE 9 HG11 ILE 9 7.042 -3.389 -0.466 73 1HG2 ILE 9 HG21 ILE 9 7.219 -4.400 3.654 74 2HG2 ILE 9 HG22 ILE 9 8.589 -4.603 2.563 75 3HG2 ILE 9 HG23 ILE 9 7.234 -5.731 2.497 76 1HD1 ILE 9 HD11 ILE 9 8.995 -2.441 0.674 77 2HD1 ILE 9 HD12 ILE 9 9.512 -3.648 -0.506 78 3HD1 ILE 9 HD13 ILE 9 9.481 -4.048 1.210 79 H TRP 10 HN TRP 10 5.112 -5.001 -0.929 80 HA TRP 10 HA TRP 10 5.349 -7.904 -0.196 81 1HB TRP 10 HB2 TRP 10 3.086 -7.485 -0.873 82 2HB TRP 10 HB1 TRP 10 3.610 -6.512 -2.250 83 HD1 TRP 10 HD1 TRP 10 5.573 -9.625 -1.512 84 HE1 TRP 10 HE1 TRP 10 5.128 -11.399 -3.326 85 HE3 TRP 10 HE3 TRP 10 1.687 -7.408 -3.963 86 HZ2 TRP 10 HZ2 TRP 10 3.370 -11.814 -5.530 87 HZ3 TRP 10 HZ3 TRP 10 0.651 -8.515 -5.918 88 HH2 TRP 10 HH2 TRP 10 1.482 -10.713 -6.703 89 H VAL 11 HN VAL 11 7.379 -8.420 -0.802 90 HA VAL 11 HA VAL 11 8.156 -7.955 -3.626 91 HB VAL 11 HB VAL 11 8.877 -5.988 -2.422 92 1HG1 VAL 11 HG11 VAL 11 9.894 -8.005 -0.424 93 2HG1 VAL 11 HG12 VAL 11 8.776 -6.667 -0.158 94 3HG1 VAL 11 HG13 VAL 11 10.481 -6.343 -0.456 95 1HG2 VAL 11 HG21 VAL 11 11.237 -7.874 -2.670 96 2HG2 VAL 11 HG22 VAL 11 11.287 -6.116 -2.720 97 3HG2 VAL 11 HG23 VAL 11 10.501 -7.010 -4.021 98 H GLU 12 HN GLU 12 9.238 -9.752 -4.379 99 HA GLU 12 HA GLU 12 9.850 -11.923 -2.469 100 1HB GLU 12 HB2 GLU 12 9.582 -11.590 -5.448 101 2HB GLU 12 HB1 GLU 12 10.262 -13.075 -4.770 102 1HG GLU 12 HG2 GLU 12 8.266 -13.416 -3.408 103 2HG GLU 12 HG1 GLU 12 7.602 -11.873 -3.938 104 H SER 13 HN SER 13 11.541 -9.472 -4.234 105 HA SER 13 HA SER 13 14.154 -10.877 -4.039 106 1HB SER 13 HB2 SER 13 13.104 -9.237 -5.902 107 2HB SER 13 HB1 SER 13 13.830 -8.022 -4.866 108 HG SER 13 HG SER 13 15.359 -8.677 -6.365 109 H THR 14 HN THR 14 15.412 -10.574 -2.201 110 HA THR 14 HA THR 14 14.598 -9.004 0.035 111 HB THR 14 HB THR 14 17.466 -9.670 -0.515 112 HG1 THR 14 HG1 THR 14 16.842 -11.869 0.066 113 1HG2 THR 14 HG21 THR 14 16.326 -10.748 1.895 114 2HG2 THR 14 HG22 THR 14 15.896 -9.043 1.749 115 3HG2 THR 14 HG23 THR 14 17.592 -9.534 1.718 116 H ALA 15 HN ALA 15 16.915 -8.304 -2.579 117 HA ALA 15 HA ALA 15 18.008 -5.888 -1.598 118 1HB ALA 15 HB1 ALA 15 19.044 -6.134 -3.583 119 2HB ALA 15 HB2 ALA 15 17.540 -5.773 -4.434 120 3HB ALA 15 HB3 ALA 15 17.919 -7.434 -3.980 121 H ILE 16 HN ILE 16 15.056 -6.373 -3.592 122 HA ILE 16 HA ILE 16 14.325 -3.578 -3.655 123 HB ILE 16 HB ILE 16 12.812 -6.201 -3.940 124 1HG1 ILE 16 HG12 ILE 16 13.383 -4.137 -6.067 125 2HG1 ILE 16 HG11 ILE 16 14.585 -5.357 -5.640 126 1HG2 ILE 16 HG21 ILE 16 11.667 -3.589 -4.862 127 2HG2 ILE 16 HG22 ILE 16 11.488 -4.044 -3.167 128 3HG2 ILE 16 HG23 ILE 16 10.839 -5.085 -4.432 129 1HD1 ILE 16 HD11 ILE 16 12.115 -5.642 -7.190 130 2HD1 ILE 16 HD12 ILE 16 12.257 -6.840 -5.907 131 3HD1 ILE 16 HD13 ILE 16 13.524 -6.699 -7.122 132 H LEU 17 HN LEU 17 13.494 -6.326 -1.616 133 HA LEU 17 HA LEU 17 11.681 -5.081 0.162 134 1HB LEU 17 HB2 LEU 17 11.953 -7.448 0.109 135 2HB LEU 17 HB1 LEU 17 13.698 -7.330 0.290 136 HG LEU 17 HG LEU 17 12.350 -8.059 2.351 137 1HD1 LEU 17 HD11 LEU 17 14.206 -7.456 3.473 138 2HD1 LEU 17 HD12 LEU 17 13.836 -5.740 3.295 139 3HD1 LEU 17 HD13 LEU 17 14.702 -6.592 2.016 140 1HD2 LEU 17 HD21 LEU 17 10.538 -6.568 2.467 141 2HD2 LEU 17 HD22 LEU 17 11.533 -5.166 2.081 142 3HD2 LEU 17 HD23 LEU 17 11.646 -5.914 3.669 143 H GLN 18 HN GLN 18 15.251 -5.285 0.228 144 HA GLN 18 HA GLN 18 15.560 -3.892 2.743 145 1HB GLN 18 HB2 GLN 18 17.337 -4.504 0.373 146 2HB GLN 18 HB1 GLN 18 17.940 -3.643 1.786 147 1HG GLN 18 HG2 GLN 18 17.219 -5.525 3.225 148 2HG GLN 18 HG1 GLN 18 16.671 -6.391 1.791 149 1HE2 GLN 18 HE21 GLN 18 18.901 -7.114 3.696 150 2HE2 GLN 18 HE22 GLN 18 20.284 -7.258 2.721 151 H ASP 19 HN ASP 19 16.065 -2.800 -0.649 152 HA ASP 19 HA ASP 19 16.581 -0.080 -0.021 153 1HB ASP 19 HB2 ASP 19 15.266 -1.438 -2.393 154 2HB ASP 19 HB1 ASP 19 15.788 0.245 -2.401 155 H CYS 20 HN CYS 20 13.489 -1.753 -0.737 156 HA CYS 20 HA CYS 20 11.837 0.552 -0.568 157 1HB CYS 20 HB2 CYS 20 11.294 -2.369 0.009 158 2HB CYS 20 HB1 CYS 20 10.038 -1.145 -0.182 159 HG CYS 20 HG CYS 20 10.742 -0.833 -2.662 160 H GLN 21 HN GLN 21 12.796 -1.795 1.962 161 HA GLN 21 HA GLN 21 11.308 -0.319 4.012 162 1HB GLN 21 HB2 GLN 21 13.200 -2.683 3.987 163 2HB GLN 21 HB1 GLN 21 12.460 -2.070 5.464 164 1HG GLN 21 HG2 GLN 21 10.223 -2.250 4.146 165 2HG GLN 21 HG1 GLN 21 11.126 -3.317 3.072 166 1HE2 GLN 21 HE21 GLN 21 12.791 -4.126 5.586 167 2HE2 GLN 21 HE22 GLN 21 11.793 -5.260 6.357 168 H ARG 22 HN ARG 22 14.563 -0.344 2.722 169 HA ARG 22 HA ARG 22 15.976 0.760 4.942 170 1HB ARG 22 HB2 ARG 22 16.216 0.744 1.958 171 2HB ARG 22 HB1 ARG 22 17.258 1.836 2.874 172 1HG ARG 22 HG2 ARG 22 18.280 0.071 4.052 173 2HG ARG 22 HG1 ARG 22 16.993 -1.063 3.641 174 1HD ARG 22 HD2 ARG 22 17.956 -1.596 1.649 175 2HD ARG 22 HD1 ARG 22 18.331 0.100 1.290 176 HE ARG 22 HE ARG 22 20.451 -0.212 2.278 177 1HH1 ARG 22 HH11 ARG 22 18.219 -2.645 3.293 178 2HH1 ARG 22 HH12 ARG 22 19.436 -3.641 4.018 179 1HH2 ARG 22 HH21 ARG 22 22.040 -1.494 3.224 180 2HH2 ARG 22 HH22 ARG 22 21.599 -2.984 3.988 181 H ALA 23 HN ALA 23 14.314 2.356 2.219 182 HA ALA 23 HA ALA 23 14.708 5.041 3.089 183 1HB ALA 23 HB1 ALA 23 13.148 5.504 1.385 184 2HB ALA 23 HB2 ALA 23 12.230 4.037 1.721 185 3HB ALA 23 HB3 ALA 23 13.780 3.928 0.895 186 H LEU 24 HN LEU 24 12.068 2.712 3.679 187 HA LEU 24 HA LEU 24 10.780 4.498 5.643 188 1HB LEU 24 HB2 LEU 24 10.192 1.684 4.661 189 2HB LEU 24 HB1 LEU 24 9.080 2.717 5.566 190 HG LEU 24 HG LEU 24 10.301 3.470 2.901 191 1HD1 LEU 24 HD11 LEU 24 7.767 2.040 3.606 192 2HD1 LEU 24 HD12 LEU 24 8.831 1.819 2.216 193 3HD1 LEU 24 HD13 LEU 24 7.735 3.202 2.279 194 1HD2 LEU 24 HD21 LEU 24 9.722 5.457 3.961 195 2HD2 LEU 24 HD22 LEU 24 8.352 4.735 4.803 196 3HD2 LEU 24 HD23 LEU 24 8.246 5.082 3.076 197 H SER 25 HN SER 25 13.030 4.245 6.801 198 HA SER 25 HA SER 25 13.045 1.818 8.549 199 1HB SER 25 HB2 SER 25 15.105 1.966 7.400 200 2HB SER 25 HB1 SER 25 15.139 3.725 7.503 201 HG SER 25 HG SER 25 16.104 3.549 9.356 202 H ALA 26 HN ALA 26 12.014 4.976 8.530 203 HA ALA 26 HA ALA 26 12.888 6.337 10.757 204 1HB ALA 26 HB1 ALA 26 9.933 5.932 10.539 205 2HB ALA 26 HB2 ALA 26 10.757 6.516 9.095 206 3HB ALA 26 HB3 ALA 26 10.852 7.435 10.596 207 H ASP 27 HN ASP 27 12.549 6.157 13.036 208 HA ASP 27 HA ASP 27 12.368 3.476 14.058 209 1HB ASP 27 HB2 ASP 27 12.428 6.262 15.221 210 2HB ASP 27 HB1 ASP 27 12.321 4.839 16.260 211 H ARG 28 HN ARG 28 9.927 5.547 13.024 212 HA ARG 28 HA ARG 28 7.919 4.380 14.918 213 1HB ARG 28 HB2 ARG 28 6.549 6.279 14.222 214 2HB ARG 28 HB1 ARG 28 8.149 6.865 14.682 215 1HG ARG 28 HG2 ARG 28 8.831 6.859 12.307 216 2HG ARG 28 HG1 ARG 28 7.225 6.293 11.850 217 1HD ARG 28 HD2 ARG 28 7.086 8.635 11.549 218 2HD ARG 28 HD1 ARG 28 6.392 8.402 13.169 219 HE ARG 28 HE ARG 28 9.294 8.718 13.189 220 1HH1 ARG 28 HH11 ARG 28 6.201 10.253 13.246 221 2HH1 ARG 28 HH12 ARG 28 6.793 11.699 13.987 222 1HH2 ARG 28 HH21 ARG 28 10.079 10.594 14.142 223 2HH2 ARG 28 HH22 ARG 28 8.992 11.899 14.487 224 H TYR 29 HN TYR 29 9.230 3.343 12.224 225 HA TYR 29 HA TYR 29 6.732 2.975 10.654 226 1HB TYR 29 HB2 TYR 29 9.673 2.908 10.202 227 2HB TYR 29 HB1 TYR 29 8.692 1.856 9.186 228 HD1 TYR 29 HD1 TYR 29 6.189 3.465 8.975 229 HD2 TYR 29 HD2 TYR 29 10.302 4.632 8.739 230 HE1 TYR 29 HE1 TYR 29 5.550 5.435 7.625 231 HE2 TYR 29 HE2 TYR 29 9.678 6.597 7.384 232 HH TYR 29 HH TYR 29 8.024 7.724 6.434 233 H GLN 30 HN GLN 30 5.848 0.957 10.336 234 HA GLN 30 HA GLN 30 7.115 -1.329 11.817 235 1HB GLN 30 HB2 GLN 30 5.031 -0.625 12.844 236 2HB GLN 30 HB1 GLN 30 4.233 -0.566 11.278 237 1HG GLN 30 HG2 GLN 30 4.360 -2.953 11.025 238 2HG GLN 30 HG1 GLN 30 5.413 -3.099 12.432 239 1HE2 GLN 30 HE21 GLN 30 2.921 -4.509 12.302 240 2HE2 GLN 30 HE22 GLN 30 1.878 -3.857 13.469 241 H LEU 31 HN LEU 31 8.314 -1.731 9.799 242 HA LEU 31 HA LEU 31 7.007 -2.148 7.274 243 1HB LEU 31 HB2 LEU 31 9.663 -2.817 8.524 244 2HB LEU 31 HB1 LEU 31 9.287 -3.349 6.888 245 HG LEU 31 HG LEU 31 10.508 -1.159 7.008 246 1HD1 LEU 31 HD11 LEU 31 8.281 -1.880 5.425 247 2HD1 LEU 31 HD12 LEU 31 9.540 -0.710 5.028 248 3HD1 LEU 31 HD13 LEU 31 8.064 -0.177 5.834 249 1HD2 LEU 31 HD21 LEU 31 7.894 -0.120 8.106 250 2HD2 LEU 31 HD22 LEU 31 9.363 0.806 7.797 251 3HD2 LEU 31 HD23 LEU 31 9.332 -0.394 9.085 252 H GLN 32 HN GLN 32 5.958 -3.934 6.531 253 HA GLN 32 HA GLN 32 6.354 -6.527 7.988 254 1HB GLN 32 HB2 GLN 32 4.100 -5.540 8.313 255 2HB GLN 32 HB1 GLN 32 3.897 -5.441 6.562 256 1HG GLN 32 HG2 GLN 32 2.807 -7.470 7.436 257 2HG GLN 32 HG1 GLN 32 4.168 -7.893 6.397 258 1HE2 GLN 32 HE21 GLN 32 5.181 -9.691 7.333 259 2HE2 GLN 32 HE22 GLN 32 5.559 -9.837 8.982 260 H VAL 33 HN VAL 33 7.281 -8.062 6.639 261 HA VAL 33 HA VAL 33 7.330 -7.438 3.728 262 HB VAL 33 HB VAL 33 8.869 -9.484 5.337 263 1HG1 VAL 33 HG11 VAL 33 9.054 -8.342 2.549 264 2HG1 VAL 33 HG12 VAL 33 8.999 -10.035 3.040 265 3HG1 VAL 33 HG13 VAL 33 10.452 -9.079 3.331 266 1HG2 VAL 33 HG21 VAL 33 10.634 -7.806 5.454 267 2HG2 VAL 33 HG22 VAL 33 9.156 -7.121 6.132 268 3HG2 VAL 33 HG23 VAL 33 9.667 -6.677 4.504 269 H CYS 34 HN CYS 34 6.044 -8.520 2.378 270 HA CYS 34 HA CYS 34 4.805 -11.098 3.261 271 1HB CYS 34 HB2 CYS 34 4.073 -8.982 1.216 272 2HB CYS 34 HB1 CYS 34 3.162 -10.475 1.452 273 HG CYS 34 HG CYS 34 2.065 -9.438 3.405 274 H GLU 35 HN GLU 35 6.044 -12.786 2.445 275 HA GLU 35 HA GLU 35 7.774 -12.632 0.189 276 1HB GLU 35 HB2 GLU 35 6.361 -14.995 1.459 277 2HB GLU 35 HB1 GLU 35 7.781 -15.091 0.420 278 1HG GLU 35 HG2 GLU 35 7.780 -13.400 2.917 279 2HG GLU 35 HG1 GLU 35 8.196 -15.117 2.961 280 H SER 36 HN SER 36 4.327 -13.567 0.396 281 HA SER 36 HA SER 36 4.389 -13.952 -2.582 282 1HB SER 36 HB2 SER 36 2.302 -14.944 -0.637 283 2HB SER 36 HB1 SER 36 2.618 -15.518 -2.269 284 HG SER 36 HG SER 36 3.610 -16.951 -0.941 285 H GLY 37 HN GLY 37 1.760 -13.743 -3.185 286 1HA GLY 37 HA2 GLY 37 1.164 -10.894 -2.542 287 2HA GLY 37 HA1 GLY 37 0.541 -11.780 -3.940 288 H GLU 38 HN GLU 38 0.122 -14.170 -2.254 289 HA GLU 38 HA GLU 38 -2.621 -13.714 -1.438 290 1HB GLU 38 HB2 GLU 38 -0.558 -15.875 -1.500 291 2HB GLU 38 HB1 GLU 38 -1.935 -16.112 -0.444 292 1HG GLU 38 HG2 GLU 38 -3.384 -15.488 -2.484 293 2HG GLU 38 HG1 GLU 38 -1.917 -15.754 -3.433 294 H MET 39 HN MET 39 0.497 -14.186 0.131 295 HA MET 39 HA MET 39 -0.330 -14.255 2.834 296 1HB MET 39 HB2 MET 39 2.161 -13.274 1.404 297 2HB MET 39 HB1 MET 39 2.083 -13.477 3.152 298 1HG MET 39 HG2 MET 39 1.611 -15.860 2.899 299 2HG MET 39 HG1 MET 39 1.539 -15.686 1.145 300 1HE MET 39 HE1 MET 39 3.351 -17.742 2.819 301 2HE MET 39 HE2 MET 39 4.819 -17.716 1.850 302 3HE MET 39 HE3 MET 39 3.248 -17.708 1.055 303 H LEU 40 HN LEU 40 0.411 -11.568 0.657 304 HA LEU 40 HA LEU 40 0.273 -9.427 2.552 305 1HB LEU 40 HB2 LEU 40 1.270 -9.090 0.420 306 2HB LEU 40 HB1 LEU 40 -0.124 -9.754 -0.428 307 HG LEU 40 HG LEU 40 -1.475 -7.817 0.232 308 1HD1 LEU 40 HD11 LEU 40 -0.898 -6.570 2.010 309 2HD1 LEU 40 HD12 LEU 40 0.577 -6.063 1.187 310 3HD1 LEU 40 HD13 LEU 40 0.579 -7.518 2.184 311 1HD2 LEU 40 HD21 LEU 40 0.896 -6.363 -0.724 312 2HD2 LEU 40 HD22 LEU 40 -0.667 -6.604 -1.509 313 3HD2 LEU 40 HD23 LEU 40 0.577 -7.849 -1.623 314 H LEU 41 HN LEU 41 -2.202 -11.118 0.662 315 HA LEU 41 HA LEU 41 -4.411 -9.378 1.157 316 1HB LEU 41 HB2 LEU 41 -4.242 -12.400 0.862 317 2HB LEU 41 HB1 LEU 41 -5.696 -11.435 0.605 318 HG LEU 41 HG LEU 41 -3.113 -11.162 -0.958 319 1HD1 LEU 41 HD11 LEU 41 -3.929 -12.640 -2.456 320 2HD1 LEU 41 HD12 LEU 41 -5.543 -11.929 -2.392 321 3HD1 LEU 41 HD13 LEU 41 -5.058 -13.126 -1.189 322 1HD2 LEU 41 HD21 LEU 41 -5.820 -9.833 -1.250 323 2HD2 LEU 41 HD22 LEU 41 -4.516 -9.712 -2.430 324 3HD2 LEU 41 HD23 LEU 41 -4.310 -9.041 -0.814 325 H GLU 42 HN GLU 42 -3.273 -12.274 2.933 326 HA GLU 42 HA GLU 42 -5.228 -12.304 4.981 327 1HB GLU 42 HB2 GLU 42 -3.441 -14.007 4.400 328 2HB GLU 42 HB1 GLU 42 -2.282 -12.971 5.231 329 1HG GLU 42 HG2 GLU 42 -3.313 -13.278 7.324 330 2HG GLU 42 HG1 GLU 42 -4.812 -13.862 6.604 331 H TYR 43 HN TYR 43 -2.040 -10.639 4.952 332 HA TYR 43 HA TYR 43 -2.304 -9.524 7.587 333 1HB TYR 43 HB2 TYR 43 -0.151 -9.675 6.589 334 2HB TYR 43 HB1 TYR 43 -0.688 -8.855 5.119 335 HD1 TYR 43 HD1 TYR 43 0.554 -8.450 8.515 336 HD2 TYR 43 HD2 TYR 43 -1.242 -6.398 5.194 337 HE1 TYR 43 HE1 TYR 43 1.225 -6.275 9.495 338 HE2 TYR 43 HE2 TYR 43 -0.578 -4.224 6.176 339 HH TYR 43 HH TYR 43 1.709 -3.882 8.496 340 H ALA 44 HN ALA 44 -3.279 -8.323 4.371 341 HA ALA 44 HA ALA 44 -4.142 -5.747 5.512 342 1HB ALA 44 HB1 ALA 44 -5.053 -5.973 2.897 343 2HB ALA 44 HB2 ALA 44 -3.633 -7.014 2.913 344 3HB ALA 44 HB3 ALA 44 -3.489 -5.320 3.375 345 H GLN 45 HN GLN 45 -5.501 -8.881 4.946 346 HA GLN 45 HA GLN 45 -8.279 -8.054 4.612 347 1HB GLN 45 HB2 GLN 45 -6.741 -10.586 5.116 348 2HB GLN 45 HB1 GLN 45 -8.500 -10.593 5.255 349 1HG GLN 45 HG2 GLN 45 -8.789 -9.912 3.015 350 2HG GLN 45 HG1 GLN 45 -7.092 -9.454 2.855 351 1HE2 GLN 45 HE21 GLN 45 -8.024 -11.209 0.946 352 2HE2 GLN 45 HE22 GLN 45 -7.442 -12.778 1.233 353 H THR 46 HN THR 46 -6.230 -8.057 7.314 354 HA THR 46 HA THR 46 -8.626 -8.147 9.113 355 HB THR 46 HB THR 46 -7.426 -9.604 10.592 356 HG1 THR 46 HG1 THR 46 -5.395 -8.718 10.490 357 1HG2 THR 46 HG21 THR 46 -8.363 -10.582 8.434 358 2HG2 THR 46 HG22 THR 46 -7.102 -11.543 9.211 359 3HG2 THR 46 HG23 THR 46 -6.711 -10.553 7.804 360 H HIS 47 HN HIS 47 -6.906 -5.963 7.942 361 HA HIS 47 HA HIS 47 -6.628 -4.324 10.340 362 1HB HIS 47 HB2 HIS 47 -4.439 -5.977 9.364 363 2HB HIS 47 HB1 HIS 47 -4.011 -4.270 9.273 364 HD1 HIS 47 HD1 HIS 47 -6.153 -5.924 11.955 365 HD2 HIS 47 HD2 HIS 47 -2.461 -4.034 11.562 366 HE1 HIS 47 HE1 HIS 47 -5.200 -5.714 14.295 367 H ARG 48 HN ARG 48 -7.724 -4.410 7.496 368 HA ARG 48 HA ARG 48 -6.470 -2.880 5.574 369 1HB ARG 48 HB2 ARG 48 -9.239 -2.013 6.270 370 2HB ARG 48 HB1 ARG 48 -8.579 -2.466 4.707 371 1HG ARG 48 HG2 ARG 48 -8.512 -4.851 5.560 372 2HG ARG 48 HG1 ARG 48 -9.447 -4.294 6.945 373 1HD ARG 48 HD2 ARG 48 -11.162 -3.382 5.293 374 2HD ARG 48 HD1 ARG 48 -10.291 -4.280 4.031 375 HE ARG 48 HE ARG 48 -10.577 -6.153 6.020 376 1HH1 ARG 48 HH11 ARG 48 -12.745 -4.049 4.330 377 2HH1 ARG 48 HH12 ARG 48 -14.119 -5.074 4.581 378 1HH2 ARG 48 HH21 ARG 48 -12.344 -7.480 6.338 379 2HH2 ARG 48 HH22 ARG 48 -13.893 -7.017 5.715 380 H ASP 49 HN ASP 49 -8.436 -1.509 8.184 381 HA ASP 49 HA ASP 49 -7.682 1.229 7.679 382 1HB ASP 49 HB2 ASP 49 -8.875 1.616 9.757 383 2HB ASP 49 HB1 ASP 49 -9.712 0.328 8.894 384 H GLN 50 HN GLN 50 -6.340 -1.344 9.632 385 HA GLN 50 HA GLN 50 -4.601 0.259 11.276 386 1HB GLN 50 HB2 GLN 50 -4.878 -2.630 10.482 387 2HB GLN 50 HB1 GLN 50 -3.548 -2.106 11.520 388 1HG GLN 50 HG2 GLN 50 -6.454 -1.464 12.098 389 2HG GLN 50 HG1 GLN 50 -5.623 -2.867 12.770 390 1HE2 GLN 50 HE21 GLN 50 -6.321 0.389 13.396 391 2HE2 GLN 50 HE22 GLN 50 -5.097 0.690 14.534 392 H ILE 51 HN ILE 51 -4.205 -1.201 8.049 393 HA ILE 51 HA ILE 51 -1.308 -0.853 8.027 394 HB ILE 51 HB ILE 51 -3.250 -1.109 5.703 395 1HG1 ILE 51 HG12 ILE 51 -3.778 -3.045 6.886 396 2HG1 ILE 51 HG11 ILE 51 -2.391 -3.605 5.951 397 1HG2 ILE 51 HG21 ILE 51 -0.966 -0.492 5.056 398 2HG2 ILE 51 HG22 ILE 51 -1.286 -2.165 4.598 399 3HG2 ILE 51 HG23 ILE 51 -0.316 -1.813 6.027 400 1HD1 ILE 51 HD11 ILE 51 -2.492 -2.810 8.857 401 2HD1 ILE 51 HD12 ILE 51 -0.970 -2.849 7.969 402 3HD1 ILE 51 HD13 ILE 51 -1.924 -4.323 8.154 403 H ASP 52 HN ASP 52 -0.311 1.104 7.797 404 HA ASP 52 HA ASP 52 -1.922 3.465 7.127 405 1HB ASP 52 HB2 ASP 52 0.880 2.881 8.075 406 2HB ASP 52 HB1 ASP 52 0.401 4.510 7.614 407 H CYS 53 HN CYS 53 0.746 1.607 5.666 408 HA CYS 53 HA CYS 53 0.149 2.914 3.059 409 1HB CYS 53 HB2 CYS 53 2.064 3.952 4.681 410 2HB CYS 53 HB1 CYS 53 3.014 2.723 3.847 411 HG CYS 53 HG CYS 53 2.133 5.321 2.622 412 H LEU 54 HN LEU 54 0.407 1.408 1.380 413 HA LEU 54 HA LEU 54 1.779 -1.153 2.173 414 1HB LEU 54 HB2 LEU 54 -0.746 -1.034 1.670 415 2HB LEU 54 HB1 LEU 54 -0.279 -0.819 -0.015 416 HG LEU 54 HG LEU 54 0.788 -3.099 1.657 417 1HD1 LEU 54 HD11 LEU 54 -1.020 -4.395 0.274 418 2HD1 LEU 54 HD12 LEU 54 -1.818 -2.825 0.179 419 3HD1 LEU 54 HD13 LEU 54 -1.506 -3.565 1.750 420 1HD2 LEU 54 HD21 LEU 54 0.764 -2.284 -1.223 421 2HD2 LEU 54 HD22 LEU 54 0.737 -4.008 -0.849 422 3HD2 LEU 54 HD23 LEU 54 2.069 -3.001 -0.276 423 H ILE 55 HN ILE 55 3.485 -1.847 0.923 424 HA ILE 55 HA ILE 55 4.268 -0.145 -1.412 425 HB ILE 55 HB ILE 55 5.805 -2.193 0.225 426 1HG1 ILE 55 HG12 ILE 55 6.018 0.819 0.337 427 2HG1 ILE 55 HG11 ILE 55 5.006 -0.110 1.446 428 1HG2 ILE 55 HG21 ILE 55 7.024 -2.029 -1.754 429 2HG2 ILE 55 HG22 ILE 55 7.736 -0.731 -0.800 430 3HG2 ILE 55 HG23 ILE 55 6.533 -0.359 -2.035 431 1HD1 ILE 55 HD11 ILE 55 7.579 0.458 1.989 432 2HD1 ILE 55 HD12 ILE 55 7.810 -1.048 1.096 433 3HD1 ILE 55 HD13 ILE 55 6.800 -1.026 2.544 434 H LEU 56 HN LEU 56 4.551 -1.107 -3.447 435 HA LEU 56 HA LEU 56 4.116 -4.050 -3.673 436 1HB LEU 56 HB2 LEU 56 2.536 -1.788 -4.912 437 2HB LEU 56 HB1 LEU 56 2.477 -3.430 -5.554 438 HG LEU 56 HG LEU 56 1.814 -2.639 -2.704 439 1HD1 LEU 56 HD11 LEU 56 0.250 -2.720 -5.169 440 2HD1 LEU 56 HD12 LEU 56 -0.175 -2.045 -3.595 441 3HD1 LEU 56 HD13 LEU 56 -0.425 -3.763 -3.916 442 1HD2 LEU 56 HD21 LEU 56 0.850 -5.217 -3.635 443 2HD2 LEU 56 HD22 LEU 56 1.818 -4.841 -2.211 444 3HD2 LEU 56 HD23 LEU 56 2.607 -5.119 -3.762 445 H VAL 57 HN VAL 57 4.801 -4.884 -5.789 446 HA VAL 57 HA VAL 57 6.690 -3.031 -7.221 447 HB VAL 57 HB VAL 57 6.857 -5.980 -6.505 448 1HG1 VAL 57 HG11 VAL 57 8.462 -4.335 -8.474 449 2HG1 VAL 57 HG12 VAL 57 7.661 -5.883 -8.749 450 3HG1 VAL 57 HG13 VAL 57 9.106 -5.805 -7.740 451 1HG2 VAL 57 HG21 VAL 57 7.712 -4.741 -4.706 452 2HG2 VAL 57 HG22 VAL 57 8.338 -3.467 -5.751 453 3HG2 VAL 57 HG23 VAL 57 9.157 -5.028 -5.671 454 H ALA 58 HN ALA 58 5.459 -2.519 -9.025 455 HA ALA 58 HA ALA 58 3.472 -4.093 -10.280 456 1HB ALA 58 HB1 ALA 58 3.389 -2.283 -11.669 457 2HB ALA 58 HB2 ALA 58 5.133 -2.283 -11.937 458 3HB ALA 58 HB3 ALA 58 4.467 -1.590 -10.458 459 H ALA 59 HN ALA 59 6.929 -4.425 -10.467 460 HA ALA 59 HA ALA 59 7.251 -5.553 -13.055 461 1HB ALA 59 HB1 ALA 59 8.985 -6.891 -11.312 462 2HB ALA 59 HB2 ALA 59 8.656 -5.354 -10.512 463 3HB ALA 59 HB3 ALA 59 9.316 -5.373 -12.149 464 H ASN 60 HN ASN 60 5.599 -6.820 -10.285 465 HA ASN 60 HA ASN 60 5.960 -9.649 -10.946 466 1HB ASN 60 HB2 ASN 60 4.467 -7.951 -9.009 467 2HB ASN 60 HB1 ASN 60 3.855 -9.585 -9.276 468 1HD2 ASN 60 HD21 ASN 60 7.298 -8.639 -9.450 469 2HD2 ASN 60 HD22 ASN 60 7.784 -9.564 -8.113 470 HA PRO 61 HA PRO 61 2.844 -9.932 -14.006 471 1HB PRO 61 HB2 PRO 61 2.318 -12.603 -13.848 472 2HB PRO 61 HB1 PRO 61 3.804 -11.945 -14.557 473 1HG PRO 61 HG2 PRO 61 3.368 -13.153 -11.882 474 2HG PRO 61 HG1 PRO 61 4.768 -13.259 -12.958 475 1HD PRO 61 HD2 PRO 61 4.623 -11.629 -10.751 476 2HD PRO 61 HD1 PRO 61 5.694 -11.351 -12.140 477 H SER 62 HN SER 62 1.887 -12.121 -11.323 478 HA SER 62 HA SER 62 -0.925 -11.396 -11.710 479 1HB SER 62 HB2 SER 62 -1.212 -12.984 -9.797 480 2HB SER 62 HB1 SER 62 -0.253 -13.663 -11.109 481 HG SER 62 HG SER 62 0.913 -12.297 -8.925 482 H PHE 63 HN PHE 63 1.487 -9.656 -10.404 483 HA PHE 63 HA PHE 63 0.833 -8.912 -7.798 484 1HB PHE 63 HB2 PHE 63 2.708 -7.871 -8.668 485 2HB PHE 63 HB1 PHE 63 1.951 -7.578 -10.231 486 HD1 PHE 63 HD1 PHE 63 1.287 -6.642 -6.643 487 HD2 PHE 63 HD2 PHE 63 1.591 -5.353 -10.726 488 HE1 PHE 63 HE1 PHE 63 0.735 -4.333 -5.960 489 HE2 PHE 63 HE2 PHE 63 1.039 -3.044 -10.048 490 HZ PHE 63 HZ PHE 63 0.604 -2.524 -7.656 491 H ARG 64 HN ARG 64 -0.612 -7.668 -10.808 492 HA ARG 64 HA ARG 64 -2.434 -5.805 -9.725 493 1HB ARG 64 HB2 ARG 64 -2.206 -7.545 -12.141 494 2HB ARG 64 HB1 ARG 64 -3.761 -6.758 -11.860 495 1HG ARG 64 HG2 ARG 64 -2.671 -5.110 -13.076 496 2HG ARG 64 HG1 ARG 64 -2.241 -4.637 -11.428 497 1HD ARG 64 HD2 ARG 64 -0.078 -4.756 -12.112 498 2HD ARG 64 HD1 ARG 64 -0.289 -6.515 -12.117 499 HE ARG 64 HE ARG 64 -1.374 -5.325 -14.524 500 1HH1 ARG 64 HH11 ARG 64 1.525 -6.336 -12.935 501 2HH1 ARG 64 HH12 ARG 64 2.387 -6.613 -14.410 502 1HH2 ARG 64 HH21 ARG 64 -0.255 -5.678 -16.448 503 2HH2 ARG 64 HH22 ARG 64 1.384 -6.239 -16.395 504 H ALA 65 HN ALA 65 -2.869 -9.294 -10.328 505 HA ALA 65 HA ALA 65 -5.553 -9.560 -9.471 506 1HB ALA 65 HB1 ALA 65 -3.846 -11.786 -8.707 507 2HB ALA 65 HB2 ALA 65 -3.346 -11.136 -10.266 508 3HB ALA 65 HB3 ALA 65 -5.004 -11.690 -10.035 509 H VAL 66 HN VAL 66 -2.520 -9.610 -7.605 510 HA VAL 66 HA VAL 66 -3.700 -10.222 -5.045 511 HB VAL 66 HB VAL 66 -1.169 -8.842 -5.967 512 1HG1 VAL 66 HG11 VAL 66 -2.256 -8.941 -3.336 513 2HG1 VAL 66 HG12 VAL 66 -0.668 -8.360 -3.836 514 3HG1 VAL 66 HG13 VAL 66 -0.887 -10.054 -3.390 515 1HG2 VAL 66 HG21 VAL 66 -0.183 -11.067 -5.401 516 2HG2 VAL 66 HG22 VAL 66 -1.370 -11.151 -6.695 517 3HG2 VAL 66 HG23 VAL 66 -1.805 -11.665 -5.064 518 H VAL 67 HN VAL 67 -2.895 -7.141 -6.693 519 HA VAL 67 HA VAL 67 -3.654 -5.437 -4.494 520 HB VAL 67 HB VAL 67 -3.868 -4.826 -7.456 521 1HG1 VAL 67 HG11 VAL 67 -2.943 -2.583 -6.352 522 2HG1 VAL 67 HG12 VAL 67 -3.688 -3.266 -4.908 523 3HG1 VAL 67 HG13 VAL 67 -4.666 -2.965 -6.344 524 1HG2 VAL 67 HG21 VAL 67 -1.646 -5.141 -7.670 525 2HG2 VAL 67 HG22 VAL 67 -1.544 -5.663 -5.987 526 3HG2 VAL 67 HG23 VAL 67 -1.368 -3.954 -6.394 527 H GLN 68 HN GLN 68 -5.424 -6.788 -7.293 528 HA GLN 68 HA GLN 68 -7.856 -5.411 -6.984 529 1HB GLN 68 HB2 GLN 68 -8.503 -6.873 -8.615 530 2HB GLN 68 HB1 GLN 68 -6.835 -7.433 -8.568 531 1HG GLN 68 HG2 GLN 68 -7.453 -9.183 -6.953 532 2HG GLN 68 HG1 GLN 68 -9.107 -8.591 -6.925 533 1HE2 GLN 68 HE21 GLN 68 -7.328 -8.613 -9.972 534 2HE2 GLN 68 HE22 GLN 68 -8.193 -9.898 -10.671 535 H GLN 69 HN GLN 69 -6.709 -8.406 -5.379 536 HA GLN 69 HA GLN 69 -9.021 -8.955 -3.854 537 1HB GLN 69 HB2 GLN 69 -6.070 -9.265 -3.282 538 2HB GLN 69 HB1 GLN 69 -7.325 -9.923 -2.230 539 1HG GLN 69 HG2 GLN 69 -7.262 -10.510 -5.179 540 2HG GLN 69 HG1 GLN 69 -6.382 -11.499 -4.012 541 1HE2 GLN 69 HE21 GLN 69 -8.628 -12.522 -5.547 542 2HE2 GLN 69 HE22 GLN 69 -9.877 -12.875 -4.449 543 H LEU 70 HN LEU 70 -6.220 -6.834 -3.039 544 HA LEU 70 HA LEU 70 -7.117 -6.005 -0.496 545 1HB LEU 70 HB2 LEU 70 -5.513 -4.790 -2.727 546 2HB LEU 70 HB1 LEU 70 -5.977 -3.755 -1.372 547 HG LEU 70 HG LEU 70 -4.992 -6.354 -0.470 548 1HD1 LEU 70 HD11 LEU 70 -3.649 -6.038 -2.589 549 2HD1 LEU 70 HD12 LEU 70 -2.694 -6.128 -1.109 550 3HD1 LEU 70 HD13 LEU 70 -2.996 -4.567 -1.871 551 1HD2 LEU 70 HD21 LEU 70 -4.574 -5.003 1.284 552 2HD2 LEU 70 HD22 LEU 70 -5.034 -3.600 0.320 553 3HD2 LEU 70 HD23 LEU 70 -3.359 -4.149 0.333 554 H CYS 71 HN CYS 71 -7.833 -4.495 -3.677 555 HA CYS 71 HA CYS 71 -9.823 -2.655 -2.714 556 1HB CYS 71 HB2 CYS 71 -9.394 -4.027 -5.389 557 2HB CYS 71 HB1 CYS 71 -10.474 -2.657 -5.142 558 HG CYS 71 HG CYS 71 -7.374 -2.536 -5.012 559 H PHE 72 HN PHE 72 -10.028 -5.975 -3.982 560 HA PHE 72 HA PHE 72 -12.796 -6.334 -4.188 561 1HB PHE 72 HB2 PHE 72 -11.322 -8.044 -4.896 562 2HB PHE 72 HB1 PHE 72 -10.481 -8.065 -3.349 563 HD1 PHE 72 HD1 PHE 72 -10.789 -10.145 -2.333 564 HD2 PHE 72 HD2 PHE 72 -14.112 -8.207 -4.243 565 HE1 PHE 72 HE1 PHE 72 -12.296 -11.949 -1.540 566 HE2 PHE 72 HE2 PHE 72 -15.622 -10.010 -3.449 567 HZ PHE 72 HZ PHE 72 -14.712 -11.880 -2.096 568 H GLU 73 HN GLU 73 -10.791 -6.998 -1.283 569 HA GLU 73 HA GLU 73 -13.055 -7.428 0.466 570 1HB GLU 73 HB2 GLU 73 -10.186 -6.582 1.020 571 2HB GLU 73 HB1 GLU 73 -11.306 -7.229 2.217 572 1HG GLU 73 HG2 GLU 73 -10.527 -8.730 -0.292 573 2HG GLU 73 HG1 GLU 73 -9.689 -8.920 1.250 574 H GLY 74 HN GLY 74 -11.333 -4.637 -0.691 575 1HA GLY 74 HA2 GLY 74 -12.383 -2.421 -0.585 576 2HA GLY 74 HA1 GLY 74 -13.090 -2.885 0.968 577 H VAL 75 HN VAL 75 -9.868 -3.944 0.490 578 HA VAL 75 HA VAL 75 -8.916 -2.245 2.668 579 HB VAL 75 HB VAL 75 -7.448 -4.137 0.802 580 1HG1 VAL 75 HG11 VAL 75 -6.121 -2.562 2.284 581 2HG1 VAL 75 HG12 VAL 75 -5.820 -4.276 2.560 582 3HG1 VAL 75 HG13 VAL 75 -6.852 -3.371 3.669 583 1HG2 VAL 75 HG21 VAL 75 -8.152 -5.925 2.092 584 2HG2 VAL 75 HG22 VAL 75 -9.583 -4.903 2.203 585 3HG2 VAL 75 HG23 VAL 75 -8.413 -4.927 3.519 586 H VAL 76 HN VAL 76 -8.736 -0.081 1.983 587 HA VAL 76 HA VAL 76 -7.024 0.354 -0.437 588 HB VAL 76 HB VAL 76 -9.022 2.315 0.698 589 1HG1 VAL 76 HG11 VAL 76 -7.873 3.448 -0.948 590 2HG1 VAL 76 HG12 VAL 76 -9.048 2.635 -1.978 591 3HG1 VAL 76 HG13 VAL 76 -7.425 1.972 -1.798 592 1HG2 VAL 76 HG21 VAL 76 -10.305 0.299 0.336 593 2HG2 VAL 76 HG22 VAL 76 -9.501 0.003 -1.205 594 3HG2 VAL 76 HG23 VAL 76 -10.609 1.367 -1.035 595 H VAL 77 HN VAL 77 -5.146 1.371 -0.055 596 HA VAL 77 HA VAL 77 -4.848 3.162 2.309 597 HB VAL 77 HB VAL 77 -2.601 1.845 2.625 598 1HG1 VAL 77 HG11 VAL 77 -4.060 1.672 4.423 599 2HG1 VAL 77 HG12 VAL 77 -3.971 -0.010 3.892 600 3HG1 VAL 77 HG13 VAL 77 -5.357 0.988 3.443 601 1HG2 VAL 77 HG21 VAL 77 -3.314 0.529 0.411 602 2HG2 VAL 77 HG22 VAL 77 -4.142 -0.497 1.583 603 3HG2 VAL 77 HG23 VAL 77 -2.401 -0.258 1.693 604 HA PRO 78 HA PRO 78 -2.183 5.368 -0.461 605 1HB PRO 78 HB2 PRO 78 -0.051 6.017 1.132 606 2HB PRO 78 HB1 PRO 78 -1.618 6.841 1.258 607 1HG PRO 78 HG2 PRO 78 -0.507 4.626 2.911 608 2HG PRO 78 HG1 PRO 78 -1.382 6.077 3.429 609 1HD PRO 78 HD2 PRO 78 -2.608 3.691 3.265 610 2HD PRO 78 HD1 PRO 78 -3.453 5.200 2.848 611 H ALA 79 HN ALA 79 -1.644 3.505 -1.735 612 HA ALA 79 HA ALA 79 0.601 1.833 -0.793 613 1HB ALA 79 HB1 ALA 79 -1.601 1.675 -2.830 614 2HB ALA 79 HB2 ALA 79 -1.252 0.586 -1.488 615 3HB ALA 79 HB3 ALA 79 -0.234 0.566 -2.928 616 H ILE 80 HN ILE 80 2.610 2.103 -1.589 617 HA ILE 80 HA ILE 80 3.038 3.964 -3.858 618 HB ILE 80 HB ILE 80 4.955 2.586 -1.948 619 1HG1 ILE 80 HG12 ILE 80 3.765 5.370 -1.774 620 2HG1 ILE 80 HG11 ILE 80 3.143 3.991 -0.873 621 1HG2 ILE 80 HG21 ILE 80 5.179 4.736 -4.025 622 2HG2 ILE 80 HG22 ILE 80 6.303 3.434 -3.639 623 3HG2 ILE 80 HG23 ILE 80 6.189 4.844 -2.583 624 1HD1 ILE 80 HD11 ILE 80 4.650 5.125 0.603 625 2HD1 ILE 80 HD12 ILE 80 5.884 5.253 -0.652 626 3HD1 ILE 80 HD13 ILE 80 5.497 3.681 0.048 627 H VAL 81 HN VAL 81 3.254 3.081 -5.858 628 HA VAL 81 HA VAL 81 3.981 0.205 -6.076 629 HB VAL 81 HB VAL 81 2.748 2.211 -7.991 630 1HG1 VAL 81 HG11 VAL 81 2.373 -0.607 -8.602 631 2HG1 VAL 81 HG12 VAL 81 4.084 -0.181 -8.595 632 3HG1 VAL 81 HG13 VAL 81 2.962 0.688 -9.644 633 1HG2 VAL 81 HG21 VAL 81 1.375 1.499 -6.000 634 2HG2 VAL 81 HG22 VAL 81 1.535 -0.170 -6.547 635 3HG2 VAL 81 HG23 VAL 81 0.678 1.006 -7.543 636 H VAL 82 HN VAL 82 5.734 -0.471 -7.319 637 HA VAL 82 HA VAL 82 7.673 1.672 -8.138 638 HB VAL 82 HB VAL 82 8.280 -1.184 -7.345 639 1HG1 VAL 82 HG11 VAL 82 9.847 1.409 -7.401 640 2HG1 VAL 82 HG12 VAL 82 10.143 -0.044 -8.352 641 3HG1 VAL 82 HG13 VAL 82 10.436 -0.055 -6.615 642 1HG2 VAL 82 HG21 VAL 82 7.495 1.133 -5.644 643 2HG2 VAL 82 HG22 VAL 82 8.862 0.168 -5.092 644 3HG2 VAL 82 HG23 VAL 82 7.296 -0.595 -5.355 645 H GLY 83 HN GLY 83 9.221 0.881 -9.871 646 1HA GLY 83 HA2 GLY 83 9.695 -0.135 -11.934 647 2HA GLY 83 HA1 GLY 83 8.485 -1.354 -11.554 648 H ASP 84 HN ASP 84 7.599 2.062 -11.579 649 HA ASP 84 HA ASP 84 6.375 1.676 -14.281 650 1HB ASP 84 HB2 ASP 84 4.781 1.061 -12.461 651 2HB ASP 84 HB1 ASP 84 4.927 2.698 -11.822 652 H ARG 85 HN ARG 85 6.754 3.411 -15.547 653 HA ARG 85 HA ARG 85 7.306 6.067 -14.256 654 1HB ARG 85 HB2 ARG 85 8.478 4.615 -16.635 655 2HB ARG 85 HB1 ARG 85 8.672 6.354 -16.443 656 1HG ARG 85 HG2 ARG 85 9.601 5.873 -14.123 657 2HG ARG 85 HG1 ARG 85 9.647 4.171 -14.592 658 1HD ARG 85 HD2 ARG 85 11.808 4.932 -15.182 659 2HD ARG 85 HD1 ARG 85 10.922 5.074 -16.713 660 HE ARG 85 HE ARG 85 11.101 7.418 -16.501 661 1HH1 ARG 85 HH11 ARG 85 11.371 5.836 -13.452 662 2HH1 ARG 85 HH12 ARG 85 11.758 7.282 -12.584 663 1HH2 ARG 85 HH21 ARG 85 11.606 9.324 -15.377 664 2HH2 ARG 85 HH22 ARG 85 11.904 9.249 -13.672 665 H ASP 86 HN ASP 86 7.257 7.591 -16.608 666 HA ASP 86 HA ASP 86 4.410 7.903 -17.080 667 1HB ASP 86 HB2 ASP 86 6.874 9.080 -18.414 668 2HB ASP 86 HB1 ASP 86 5.235 9.707 -18.583 669 H SER 87 HN SER 87 3.671 5.949 -18.110 670 HA SER 87 HA SER 87 4.979 4.921 -20.504 671 1HB SER 87 HB2 SER 87 2.749 3.590 -20.522 672 2HB SER 87 HB1 SER 87 3.823 3.364 -19.143 673 HG SER 87 HG SER 87 2.007 5.454 -18.970 674 H GLU 88 HN GLU 88 4.722 5.792 -22.529 675 HA GLU 88 HA GLU 88 2.967 8.005 -23.063 676 1HB GLU 88 HB2 GLU 88 3.817 7.764 -25.318 677 2HB GLU 88 HB1 GLU 88 5.139 7.392 -24.215 678 1HG GLU 88 HG2 GLU 88 4.554 4.957 -24.445 679 2HG GLU 88 HG1 GLU 88 3.381 5.405 -25.683 680 H ASP 89 HN ASP 89 2.545 4.547 -23.195 681 HA ASP 89 HA ASP 89 0.027 4.824 -24.775 682 1HB ASP 89 HB2 ASP 89 1.606 2.408 -23.828 683 2HB ASP 89 HB1 ASP 89 0.235 2.365 -24.933 684 HA PRO 90 HA PRO 90 -1.849 4.611 -20.687 685 1HB PRO 90 HB2 PRO 90 -4.316 5.470 -21.495 686 2HB PRO 90 HB1 PRO 90 -2.968 6.573 -21.163 687 1HG PRO 90 HG2 PRO 90 -4.025 5.614 -23.767 688 2HG PRO 90 HG1 PRO 90 -3.362 7.194 -23.326 689 1HD PRO 90 HD2 PRO 90 -1.979 5.265 -24.716 690 2HD PRO 90 HD1 PRO 90 -1.217 6.553 -23.758 691 H ASP 91 HN ASP 91 -3.054 3.258 -23.731 692 HA ASP 91 HA ASP 91 -5.116 1.568 -22.790 693 1HB ASP 91 HB2 ASP 91 -3.007 1.262 -24.942 694 2HB ASP 91 HB1 ASP 91 -4.355 0.139 -24.763 695 H GLU 92 HN GLU 92 -1.597 1.010 -22.862 696 HA GLU 92 HA GLU 92 -1.614 -1.696 -21.963 697 1HB GLU 92 HB2 GLU 92 0.362 0.587 -21.649 698 2HB GLU 92 HB1 GLU 92 0.741 -1.090 -21.251 699 1HG GLU 92 HG2 GLU 92 -0.365 -1.273 -23.792 700 2HG GLU 92 HG1 GLU 92 0.594 0.206 -23.868 701 HA PRO 93 HA PRO 93 -2.431 -1.244 -17.669 702 1HB PRO 93 HB2 PRO 93 -0.950 -3.301 -16.634 703 2HB PRO 93 HB1 PRO 93 -2.421 -3.560 -17.591 704 1HG PRO 93 HG2 PRO 93 0.402 -3.936 -18.341 705 2HG PRO 93 HG1 PRO 93 -1.052 -4.724 -18.966 706 1HD PRO 93 HD2 PRO 93 0.404 -2.638 -20.183 707 2HD PRO 93 HD1 PRO 93 -1.175 -3.272 -20.685 708 H ALA 94 HN ALA 94 -0.665 -1.816 -15.508 709 HA ALA 94 HA ALA 94 1.183 -0.960 -14.287 710 1HB ALA 94 HB1 ALA 94 1.979 -1.070 -17.021 711 2HB ALA 94 HB2 ALA 94 3.011 -1.058 -15.595 712 3HB ALA 94 HB3 ALA 94 2.553 0.461 -16.363 713 H LYS 95 HN LYS 95 -0.978 0.511 -13.920 714 HA LYS 95 HA LYS 95 0.043 3.299 -13.965 715 1HB LYS 95 HB2 LYS 95 -1.806 2.217 -15.818 716 2HB LYS 95 HB1 LYS 95 -2.742 3.240 -14.726 717 1HG LYS 95 HG2 LYS 95 -1.050 5.061 -15.088 718 2HG LYS 95 HG1 LYS 95 -0.280 4.041 -16.304 719 1HD LYS 95 HD2 LYS 95 -2.449 3.962 -17.543 720 2HD LYS 95 HD1 LYS 95 -3.121 5.097 -16.368 721 1HE LYS 95 HE2 LYS 95 -2.382 6.501 -18.138 722 2HE LYS 95 HE1 LYS 95 -1.049 6.577 -16.969 723 1HZ LYS 95 HZ1 LYS 95 0.229 5.113 -18.175 724 2HZ LYS 95 HZ2 LYS 95 -0.550 5.954 -19.431 725 3HZ LYS 95 HZ3 LYS 95 -1.101 4.416 -18.962 726 H GLU 96 HN GLU 96 -2.053 4.624 -12.933 727 HA GLU 96 HA GLU 96 -2.173 4.040 -10.200 728 1HB GLU 96 HB2 GLU 96 -2.877 6.151 -11.103 729 2HB GLU 96 HB1 GLU 96 -4.088 5.381 -12.127 730 1HG GLU 96 HG2 GLU 96 -5.618 5.421 -10.479 731 2HG GLU 96 HG1 GLU 96 -4.490 4.683 -9.337 732 H GLN 97 HN GLN 97 -3.903 2.545 -12.840 733 HA GLN 97 HA GLN 97 -6.144 1.464 -11.438 734 1HB GLN 97 HB2 GLN 97 -5.908 1.595 -13.886 735 2HB GLN 97 HB1 GLN 97 -4.586 0.422 -13.822 736 1HG GLN 97 HG2 GLN 97 -6.095 -1.259 -12.863 737 2HG GLN 97 HG1 GLN 97 -7.418 -0.094 -12.876 738 1HE2 GLN 97 HE21 GLN 97 -4.995 -0.389 -15.474 739 2HE2 GLN 97 HE22 GLN 97 -6.085 -0.923 -16.661 740 H LEU 98 HN LEU 98 -2.795 0.486 -11.459 741 HA LEU 98 HA LEU 98 -2.975 -2.256 -10.886 742 1HB LEU 98 HB2 LEU 98 -1.113 -0.133 -9.752 743 2HB LEU 98 HB1 LEU 98 -0.788 -1.866 -9.769 744 HG LEU 98 HG LEU 98 -1.381 -0.295 -12.289 745 1HD1 LEU 98 HD11 LEU 98 1.383 -1.191 -11.660 746 2HD1 LEU 98 HD12 LEU 98 0.797 0.237 -10.808 747 3HD1 LEU 98 HD13 LEU 98 0.834 0.214 -12.571 748 1HD2 LEU 98 HD21 LEU 98 -0.837 -2.237 -13.414 749 2HD2 LEU 98 HD22 LEU 98 -1.527 -2.926 -11.942 750 3HD2 LEU 98 HD23 LEU 98 0.224 -2.810 -12.127 751 H TYR 99 HN TYR 99 -3.706 0.562 -8.987 752 HA TYR 99 HA TYR 99 -4.827 -1.221 -6.902 753 1HB TYR 99 HB2 TYR 99 -2.455 -0.218 -6.448 754 2HB TYR 99 HB1 TYR 99 -3.330 1.281 -6.152 755 HD1 TYR 99 HD1 TYR 99 -1.698 -0.258 -4.093 756 HD2 TYR 99 HD2 TYR 99 -5.872 -0.398 -5.115 757 HE1 TYR 99 HE1 TYR 99 -2.234 -1.015 -1.802 758 HE2 TYR 99 HE2 TYR 99 -6.406 -1.158 -2.814 759 HH TYR 99 HH TYR 99 -3.813 -1.629 -0.396 760 H HIS 100 HN HIS 100 -5.016 1.726 -5.554 761 HA HIS 100 HA HIS 100 -7.685 2.228 -6.750 762 1HB HIS 100 HB2 HIS 100 -8.049 3.528 -4.670 763 2HB HIS 100 HB1 HIS 100 -7.550 1.875 -4.336 764 HD2 HIS 100 HD2 HIS 100 -4.563 1.759 -3.768 765 HE1 HIS 100 HE1 HIS 100 -4.648 5.655 -2.124 766 HE2 HIS 100 HE2 HIS 100 -3.341 3.513 -2.312 767 H SER 101 HN SER 101 -8.224 4.755 -6.577 768 HA SER 101 HA SER 101 -6.506 6.031 -8.530 769 1HB SER 101 HB2 SER 101 -9.023 6.607 -7.033 770 2HB SER 101 HB1 SER 101 -8.212 7.951 -7.831 771 HG SER 101 HG SER 101 -9.560 7.057 -9.328 772 H ALA 102 HN ALA 102 -5.908 5.704 -5.279 773 HA ALA 102 HA ALA 102 -4.733 8.465 -5.138 774 1HB ALA 102 HB1 ALA 102 -5.991 8.565 -3.268 775 2HB ALA 102 HB2 ALA 102 -4.836 7.443 -2.555 776 3HB ALA 102 HB3 ALA 102 -6.310 6.832 -3.302 777 H GLU 103 HN GLU 103 -4.054 5.017 -4.820 778 HA GLU 103 HA GLU 103 -1.680 4.925 -3.389 779 1HB GLU 103 HB2 GLU 103 -1.088 3.135 -5.171 780 2HB GLU 103 HB1 GLU 103 -2.616 2.941 -4.309 781 1HG GLU 103 HG2 GLU 103 -3.779 3.103 -6.224 782 2HG GLU 103 HG1 GLU 103 -3.009 4.641 -6.606 783 H LEU 104 HN LEU 104 0.506 5.500 -3.808 784 HA LEU 104 HA LEU 104 0.896 7.456 -6.012 785 1HB LEU 104 HB2 LEU 104 2.044 6.876 -3.351 786 2HB LEU 104 HB1 LEU 104 3.219 7.391 -4.560 787 HG LEU 104 HG LEU 104 1.554 9.282 -5.103 788 1HD1 LEU 104 HD11 LEU 104 0.457 8.160 -2.529 789 2HD1 LEU 104 HD12 LEU 104 -0.411 8.597 -4.001 790 3HD1 LEU 104 HD13 LEU 104 0.230 9.861 -2.949 791 1HD2 LEU 104 HD21 LEU 104 2.929 10.608 -3.858 792 2HD2 LEU 104 HD22 LEU 104 3.728 9.103 -3.408 793 3HD2 LEU 104 HD23 LEU 104 2.496 9.795 -2.353 794 H HIS 105 HN HIS 105 2.873 7.306 -7.329 795 HA HIS 105 HA HIS 105 3.767 4.471 -7.744 796 1HB HIS 105 HB2 HIS 105 3.754 6.793 -9.695 797 2HB HIS 105 HB1 HIS 105 4.029 5.093 -10.070 798 HD1 HIS 105 HD1 HIS 105 1.661 6.825 -11.293 799 HD2 HIS 105 HD2 HIS 105 1.325 4.196 -8.070 800 HE1 HIS 105 HE1 HIS 105 -0.757 6.077 -11.229 801 H LEU 106 HN LEU 106 5.991 4.110 -7.671 802 HA LEU 106 HA LEU 106 7.743 6.520 -7.322 803 1HB LEU 106 HB2 LEU 106 7.241 5.286 -5.239 804 2HB LEU 106 HB1 LEU 106 7.884 3.815 -5.981 805 HG LEU 106 HG LEU 106 10.054 5.017 -6.341 806 1HD1 LEU 106 HD11 LEU 106 9.107 7.310 -6.277 807 2HD1 LEU 106 HD12 LEU 106 10.421 7.120 -5.119 808 3HD1 LEU 106 HD13 LEU 106 8.747 7.102 -4.563 809 1HD2 LEU 106 HD21 LEU 106 10.204 3.653 -4.489 810 2HD2 LEU 106 HD22 LEU 106 8.845 4.427 -3.676 811 3HD2 LEU 106 HD23 LEU 106 10.423 5.215 -3.698 812 H GLY 107 HN GLY 107 9.749 6.447 -8.368 813 1HA GLY 107 HA2 GLY 107 10.067 4.633 -10.578 814 2HA GLY 107 HA1 GLY 107 11.301 5.747 -9.986 815 H ILE 108 HN ILE 108 11.813 3.033 -10.810 816 HA ILE 108 HA ILE 108 11.985 1.166 -8.683 817 HB ILE 108 HB ILE 108 13.566 1.728 -11.200 818 1HG1 ILE 108 HG12 ILE 108 11.616 -0.517 -10.692 819 2HG1 ILE 108 HG11 ILE 108 11.043 1.083 -11.169 820 1HG2 ILE 108 HG21 ILE 108 13.971 -0.887 -10.769 821 2HG2 ILE 108 HG22 ILE 108 13.880 -0.339 -9.096 822 3HG2 ILE 108 HG23 ILE 108 15.081 0.352 -10.186 823 1HD1 ILE 108 HD11 ILE 108 11.712 -0.810 -12.968 824 2HD1 ILE 108 HD12 ILE 108 13.288 -0.047 -12.758 825 3HD1 ILE 108 HD13 ILE 108 11.906 0.914 -13.285 826 H HIS 109 HN HIS 109 14.273 3.666 -9.822 827 HA HIS 109 HA HIS 109 16.213 3.026 -7.692 828 1HB HIS 109 HB2 HIS 109 17.534 4.743 -8.822 829 2HB HIS 109 HB1 HIS 109 16.816 3.690 -10.044 830 HD1 HIS 109 HD1 HIS 109 16.250 7.049 -8.381 831 HD2 HIS 109 HD2 HIS 109 15.101 5.006 -11.825 832 HE1 HIS 109 HE1 HIS 109 14.936 8.694 -9.781 833 H GLN 110 HN GLN 110 13.323 4.596 -7.629 834 HA GLN 110 HA GLN 110 14.282 6.870 -5.949 835 1HB GLN 110 HB2 GLN 110 11.588 6.211 -7.180 836 2HB GLN 110 HB1 GLN 110 11.983 7.706 -6.324 837 1HG GLN 110 HG2 GLN 110 13.740 8.206 -7.957 838 2HG GLN 110 HG1 GLN 110 13.386 6.703 -8.815 839 1HE2 GLN 110 HE21 GLN 110 10.996 8.948 -7.382 840 2HE2 GLN 110 HE22 GLN 110 10.252 9.345 -8.854 841 H LEU 111 HN LEU 111 13.835 3.833 -5.256 842 HA LEU 111 HA LEU 111 11.702 3.479 -3.469 843 1HB LEU 111 HB2 LEU 111 14.573 2.517 -3.284 844 2HB LEU 111 HB1 LEU 111 13.207 1.797 -2.433 845 HG LEU 111 HG LEU 111 13.313 2.076 -5.445 846 1HD1 LEU 111 HD11 LEU 111 14.099 -0.141 -5.603 847 2HD1 LEU 111 HD12 LEU 111 13.731 -0.488 -3.913 848 3HD1 LEU 111 HD13 LEU 111 15.098 0.547 -4.323 849 1HD2 LEU 111 HD21 LEU 111 11.533 0.702 -3.435 850 2HD2 LEU 111 HD22 LEU 111 11.560 0.213 -5.128 851 3HD2 LEU 111 HD23 LEU 111 11.075 1.849 -4.689 852 H GLU 112 HN GLU 112 14.859 4.998 -2.848 853 HA GLU 112 HA GLU 112 14.620 5.293 -0.043 854 1HB GLU 112 HB2 GLU 112 16.339 6.949 -0.302 855 2HB GLU 112 HB1 GLU 112 16.603 5.751 -1.568 856 1HG GLU 112 HG2 GLU 112 15.253 7.223 -3.116 857 2HG GLU 112 HG1 GLU 112 15.277 8.456 -1.854 858 H GLN 113 HN GLN 113 12.779 6.749 -2.544 859 HA GLN 113 HA GLN 113 12.056 9.158 -1.021 860 1HB GLN 113 HB2 GLN 113 11.117 7.821 -3.565 861 2HB GLN 113 HB1 GLN 113 10.407 9.303 -2.955 862 1HG GLN 113 HG2 GLN 113 12.620 10.386 -2.992 863 2HG GLN 113 HG1 GLN 113 13.327 8.897 -3.619 864 1HE2 GLN 113 HE21 GLN 113 13.953 10.087 -5.595 865 2HE2 GLN 113 HE22 GLN 113 12.794 10.446 -6.784 866 H LEU 114 HN LEU 114 11.308 5.950 -0.696 867 HA LEU 114 HA LEU 114 8.520 5.771 -0.544 868 1HB LEU 114 HB2 LEU 114 10.862 4.464 0.728 869 2HB LEU 114 HB1 LEU 114 9.265 4.080 1.360 870 HG LEU 114 HG LEU 114 9.543 4.096 -1.593 871 1HD1 LEU 114 HD11 LEU 114 11.263 2.511 0.143 872 2HD1 LEU 114 HD12 LEU 114 11.303 2.685 -1.612 873 3HD1 LEU 114 HD13 LEU 114 10.236 1.493 -0.868 874 1HD2 LEU 114 HD21 LEU 114 8.168 1.954 -1.157 875 2HD2 LEU 114 HD22 LEU 114 7.416 3.491 -0.730 876 3HD2 LEU 114 HD23 LEU 114 8.125 2.478 0.527 877 HA PRO 115 HA PRO 115 8.688 7.100 4.057 878 1HB PRO 115 HB2 PRO 115 10.798 8.707 4.805 879 2HB PRO 115 HB1 PRO 115 10.767 6.946 5.020 880 1HG PRO 115 HG2 PRO 115 12.057 8.559 2.868 881 2HG PRO 115 HG1 PRO 115 12.671 7.140 3.736 882 1HD PRO 115 HD2 PRO 115 11.652 6.951 1.251 883 2HD PRO 115 HD1 PRO 115 11.452 5.657 2.453 884 H TYR 116 HN TYR 116 10.212 9.360 1.746 885 HA TYR 116 HA TYR 116 8.596 11.616 2.639 886 1HB TYR 116 HB2 TYR 116 10.168 12.648 1.380 887 2HB TYR 116 HB1 TYR 116 10.804 11.072 0.927 888 HD1 TYR 116 HD1 TYR 116 10.881 10.542 -1.325 889 HD2 TYR 116 HD2 TYR 116 7.946 13.350 0.055 890 HE1 TYR 116 HE1 TYR 116 10.159 10.940 -3.663 891 HE2 TYR 116 HE2 TYR 116 7.224 13.740 -2.285 892 HH TYR 116 HH TYR 116 9.033 12.709 -4.963 893 H GLN 117 HN GLN 117 8.428 9.154 0.116 894 HA GLN 117 HA GLN 117 6.016 10.114 -1.141 895 1HB GLN 117 HB2 GLN 117 7.448 7.454 -0.998 896 2HB GLN 117 HB1 GLN 117 6.021 7.719 -2.002 897 1HG GLN 117 HG2 GLN 117 8.174 9.744 -2.255 898 2HG GLN 117 HG1 GLN 117 8.541 8.142 -2.897 899 1HE2 GLN 117 HE21 GLN 117 6.754 11.063 -3.486 900 2HE2 GLN 117 HE22 GLN 117 5.948 10.535 -4.882 901 H VAL 118 HN VAL 118 6.703 7.800 1.447 902 HA VAL 118 HA VAL 118 4.054 6.834 1.853 903 HB VAL 118 HB VAL 118 6.575 7.133 3.473 904 1HG1 VAL 118 HG11 VAL 118 5.321 5.673 5.211 905 2HG1 VAL 118 HG12 VAL 118 3.852 6.316 4.480 906 3HG1 VAL 118 HG13 VAL 118 5.017 7.411 5.227 907 1HG2 VAL 118 HG21 VAL 118 6.353 5.339 1.762 908 2HG2 VAL 118 HG22 VAL 118 4.925 4.739 2.599 909 3HG2 VAL 118 HG23 VAL 118 6.497 4.673 3.389 910 H ASP 119 HN ASP 119 5.807 9.578 3.398 911 HA ASP 119 HA ASP 119 3.658 10.474 5.058 912 1HB ASP 119 HB2 ASP 119 5.927 11.889 3.612 913 2HB ASP 119 HB1 ASP 119 4.920 12.678 4.828 914 H ALA 120 HN ALA 120 4.593 11.233 1.738 915 HA ALA 120 HA ALA 120 2.481 13.131 1.201 916 1HB ALA 120 HB1 ALA 120 4.751 11.813 -0.073 917 2HB ALA 120 HB2 ALA 120 4.076 13.413 -0.390 918 3HB ALA 120 HB3 ALA 120 3.397 11.994 -1.188 919 H ALA 121 HN ALA 121 2.927 9.651 0.627 920 HA ALA 121 HA ALA 121 0.554 9.248 -0.938 921 1HB ALA 121 HB1 ALA 121 2.694 7.788 -0.491 922 2HB ALA 121 HB2 ALA 121 1.150 6.969 -0.720 923 3HB ALA 121 HB3 ALA 121 1.793 7.198 0.905 924 H LEU 122 HN LEU 122 1.250 9.108 2.529 925 HA LEU 122 HA LEU 122 -1.227 8.091 3.480 926 1HB LEU 122 HB2 LEU 122 0.771 10.096 4.591 927 2HB LEU 122 HB1 LEU 122 -0.498 9.348 5.558 928 HG LEU 122 HG LEU 122 1.396 7.629 3.978 929 1HD1 LEU 122 HD11 LEU 122 2.113 9.387 6.171 930 2HD1 LEU 122 HD12 LEU 122 3.149 8.298 5.247 931 3HD1 LEU 122 HD13 LEU 122 2.281 7.701 6.661 932 1HD2 LEU 122 HD21 LEU 122 0.825 6.013 5.710 933 2HD2 LEU 122 HD22 LEU 122 -0.652 6.689 5.027 934 3HD2 LEU 122 HD23 LEU 122 -0.073 7.244 6.596 935 H ALA 123 HN ALA 123 -0.184 11.519 3.286 936 HA ALA 123 HA ALA 123 -2.763 12.631 3.864 937 1HB ALA 123 HB1 ALA 123 -1.351 14.392 3.972 938 2HB ALA 123 HB2 ALA 123 -1.237 14.374 2.213 939 3HB ALA 123 HB3 ALA 123 -0.090 13.446 3.181 940 H GLU 124 HN GLU 124 -1.122 11.812 0.814 941 HA GLU 124 HA GLU 124 -3.107 12.919 -0.928 942 1HB GLU 124 HB2 GLU 124 -0.753 12.190 -1.478 943 2HB GLU 124 HB1 GLU 124 -1.300 10.518 -1.357 944 1HG GLU 124 HG2 GLU 124 -2.075 10.608 -3.466 945 2HG GLU 124 HG1 GLU 124 -3.144 11.935 -3.018 946 H PHE 125 HN PHE 125 -2.743 9.674 0.576 947 HA PHE 125 HA PHE 125 -5.029 8.509 -0.746 948 1HB PHE 125 HB2 PHE 125 -3.339 7.133 0.291 949 2HB PHE 125 HB1 PHE 125 -3.584 7.920 1.852 950 HD1 PHE 125 HD1 PHE 125 -5.885 7.709 2.966 951 HD2 PHE 125 HD2 PHE 125 -4.648 5.258 -0.336 952 HE1 PHE 125 HE1 PHE 125 -7.659 6.070 3.521 953 HE2 PHE 125 HE2 PHE 125 -6.425 3.622 0.218 954 HZ PHE 125 HZ PHE 125 -7.930 4.025 2.149 955 H LEU 126 HN LEU 126 -4.667 10.035 2.495 956 HA LEU 126 HA LEU 126 -7.364 9.662 3.311 957 1HB LEU 126 HB2 LEU 126 -5.331 11.827 3.942 958 2HB LEU 126 HB1 LEU 126 -6.804 11.533 4.875 959 HG LEU 126 HG LEU 126 -4.619 9.491 4.385 960 1HD1 LEU 126 HD11 LEU 126 -5.001 11.545 6.446 961 2HD1 LEU 126 HD12 LEU 126 -3.575 10.571 6.080 962 3HD1 LEU 126 HD13 LEU 126 -4.848 9.919 7.113 963 1HD2 LEU 126 HD21 LEU 126 -6.077 8.495 6.405 964 2HD2 LEU 126 HD22 LEU 126 -6.473 8.168 4.717 965 3HD2 LEU 126 HD23 LEU 126 -7.341 9.425 5.601 966 H ARG 127 HN ARG 127 -5.871 12.305 1.435 967 HA ARG 127 HA ARG 127 -8.131 14.040 1.364 968 1HB ARG 127 HB2 ARG 127 -5.623 14.236 0.523 969 2HB ARG 127 HB1 ARG 127 -6.328 13.719 -1.009 970 1HG ARG 127 HG2 ARG 127 -7.972 15.550 -0.886 971 2HG ARG 127 HG1 ARG 127 -7.278 16.072 0.646 972 1HD ARG 127 HD2 ARG 127 -6.338 17.472 -1.097 973 2HD ARG 127 HD1 ARG 127 -5.058 16.350 -0.589 974 HE ARG 127 HE ARG 127 -5.206 15.336 -2.712 975 1HH1 ARG 127 HH11 ARG 127 -8.073 17.109 -1.950 976 2HH1 ARG 127 HH12 ARG 127 -8.824 16.799 -3.479 977 1HH2 ARG 127 HH21 ARG 127 -6.182 14.910 -4.693 978 2HH2 ARG 127 HH22 ARG 127 -7.752 15.556 -5.034 979 H LEU 128 HN LEU 128 -7.493 11.060 -0.408 980 HA LEU 128 HA LEU 128 -9.862 11.590 -2.155 981 1HB LEU 128 HB2 LEU 128 -7.287 10.368 -2.454 982 2HB LEU 128 HB1 LEU 128 -8.531 9.166 -2.792 983 HG LEU 128 HG LEU 128 -9.641 10.846 -4.302 984 1HD1 LEU 128 HD11 LEU 128 -8.338 12.776 -3.142 985 2HD1 LEU 128 HD12 LEU 128 -8.556 12.860 -4.891 986 3HD1 LEU 128 HD13 LEU 128 -7.011 12.331 -4.220 987 1HD2 LEU 128 HD21 LEU 128 -8.010 10.493 -6.133 988 2HD2 LEU 128 HD22 LEU 128 -8.199 9.038 -5.156 989 3HD2 LEU 128 HD23 LEU 128 -6.778 10.061 -4.943 990 H ALA 129 HN ALA 129 -9.249 10.141 0.776 991 HA ALA 129 HA ALA 129 -10.733 7.662 0.417 992 1HB ALA 129 HB1 ALA 129 -10.010 7.295 2.554 993 2HB ALA 129 HB2 ALA 129 -10.514 8.896 3.096 994 3HB ALA 129 HB3 ALA 129 -8.985 8.696 2.241 995 HA PRO 130 HA PRO 130 -12.102 6.408 1.120 996 1HB PRO 130 HB2 PRO 130 -14.371 5.451 -0.067 997 2HB PRO 130 HB1 PRO 130 -14.225 5.683 1.686 998 1HG PRO 130 HG2 PRO 130 -15.591 7.373 -0.335 999 2HG PRO 130 HG1 PRO 130 -16.048 7.023 1.340 1000 1HD PRO 130 HD2 PRO 130 -14.857 9.355 0.494 1001 2HD PRO 130 HD1 PRO 130 -14.798 8.740 2.158 1002 H VAL 131 HN VAL 131 -11.362 5.246 -0.756 1003 HA VAL 131 HA VAL 131 -11.318 6.885 -3.248 1004 HB VAL 131 HB VAL 131 -9.715 4.386 -2.845 1005 1HG1 VAL 131 HG11 VAL 131 -8.058 6.393 -3.698 1006 2HG1 VAL 131 HG12 VAL 131 -9.606 6.910 -4.366 1007 3HG1 VAL 131 HG13 VAL 131 -8.959 5.319 -4.771 1008 1HG2 VAL 131 HG21 VAL 131 -9.641 6.757 -1.074 1009 2HG2 VAL 131 HG22 VAL 131 -8.077 6.275 -1.727 1010 3HG2 VAL 131 HG23 VAL 131 -9.037 5.125 -0.793 1011 H GLU 132 HN GLU 132 -11.631 5.754 -5.321 1012 HA GLU 132 HA GLU 132 -13.793 3.752 -5.170 1013 1HB GLU 132 HB2 GLU 132 -13.835 5.718 -6.680 1014 2HB GLU 132 HB1 GLU 132 -12.374 5.135 -7.476 1015 1HG GLU 132 HG2 GLU 132 -13.604 3.045 -8.091 1016 2HG GLU 132 HG1 GLU 132 -15.068 3.748 -7.404 1017 H THR 133 HN THR 133 -12.827 1.749 -4.576 1018 HA THR 133 HA THR 133 -10.530 0.802 -6.237 1019 HB THR 133 HB THR 133 -10.773 -1.028 -4.278 1020 HG1 THR 133 HG1 THR 133 -12.656 0.199 -3.533 1021 1HG2 THR 133 HG21 THR 133 -9.592 1.611 -3.500 1022 2HG2 THR 133 HG22 THR 133 -8.935 0.759 -4.896 1023 3HG2 THR 133 HG23 THR 133 -8.930 -0.011 -3.312 1024 H MET 134 HN MET 134 -11.905 0.183 -8.094 1025 HA MET 134 HA MET 134 -14.059 -1.783 -7.654 1026 1HB MET 134 HB2 MET 134 -12.797 -0.502 -10.094 1027 2HB MET 134 HB1 MET 134 -14.166 -1.609 -10.171 1028 1HG MET 134 HG2 MET 134 -15.347 -0.044 -8.527 1029 2HG MET 134 HG1 MET 134 -14.060 1.114 -8.862 1030 1HE MET 134 HE1 MET 134 -14.178 1.511 -12.672 1031 2HE MET 134 HE2 MET 134 -13.690 -0.104 -12.159 1032 3HE MET 134 HE3 MET 134 -13.161 1.303 -11.238 1033 H ALA 135 HN ALA 135 -10.699 -1.988 -7.907 1034 HA ALA 135 HA ALA 135 -9.234 -3.767 -8.501 1035 1HB ALA 135 HB1 ALA 135 -11.371 -4.524 -6.808 1036 2HB ALA 135 HB2 ALA 135 -9.788 -5.288 -6.936 1037 3HB ALA 135 HB3 ALA 135 -11.129 -5.860 -7.928 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -3.097 6.870 16.384 2 2H MET 1 HT2 MET 1 -2.191 7.959 15.449 3 3H MET 1 HT3 MET 1 -2.196 8.090 17.141 4 HA MET 1 HA MET 1 -0.845 6.228 17.434 5 1HB MET 1 HB2 MET 1 -2.463 5.401 15.250 6 2HB MET 1 HB1 MET 1 -0.783 5.187 14.748 7 1HG MET 1 HG2 MET 1 -0.354 3.965 16.892 8 2HG MET 1 HG1 MET 1 -2.073 4.082 17.262 9 1HE MET 1 HE1 MET 1 -0.134 1.872 13.743 10 2HE MET 1 HE2 MET 1 0.694 2.164 15.271 11 3HE MET 1 HE3 MET 1 0.196 3.527 14.274 12 H LEU 2 HN LEU 2 0.348 8.494 17.267 13 HA LEU 2 HA LEU 2 1.870 8.841 14.763 14 1HB LEU 2 HB2 LEU 2 0.977 10.458 16.865 15 2HB LEU 2 HB1 LEU 2 2.739 10.427 17.017 16 HG LEU 2 HG LEU 2 2.029 12.210 15.471 17 1HD1 LEU 2 HD11 LEU 2 4.180 11.127 15.058 18 2HD1 LEU 2 HD12 LEU 2 3.404 11.484 13.515 19 3HD1 LEU 2 HD13 LEU 2 3.382 9.839 14.153 20 1HD2 LEU 2 HD21 LEU 2 0.077 10.413 14.723 21 2HD2 LEU 2 HD22 LEU 2 1.192 10.341 13.360 22 3HD2 LEU 2 HD23 LEU 2 0.480 11.882 13.836 23 H SER 3 HN SER 3 2.195 7.064 17.649 24 HA SER 3 HA SER 3 4.980 7.190 18.181 25 1HB SER 3 HB2 SER 3 2.906 4.998 18.417 26 2HB SER 3 HB1 SER 3 4.511 4.884 19.130 27 HG SER 3 HG SER 3 3.207 7.240 19.667 28 H GLN 4 HN GLN 4 3.144 5.147 15.916 29 HA GLN 4 HA GLN 4 5.591 4.761 14.300 30 1HB GLN 4 HB2 GLN 4 4.082 2.508 15.657 31 2HB GLN 4 HB1 GLN 4 5.335 2.279 14.437 32 1HG GLN 4 HG2 GLN 4 6.807 3.750 15.997 33 2HG GLN 4 HG1 GLN 4 5.611 3.365 17.233 34 1HE2 GLN 4 HE21 GLN 4 8.549 2.335 16.173 35 2HE2 GLN 4 HE22 GLN 4 8.428 0.679 16.529 36 H ILE 5 HN ILE 5 5.063 3.444 12.306 37 HA ILE 5 HA ILE 5 2.199 3.778 11.476 38 HB ILE 5 HB ILE 5 4.786 4.252 9.960 39 1HG1 ILE 5 HG12 ILE 5 2.517 6.171 10.563 40 2HG1 ILE 5 HG11 ILE 5 3.960 6.037 11.572 41 1HG2 ILE 5 HG21 ILE 5 3.364 4.843 8.056 42 2HG2 ILE 5 HG22 ILE 5 1.919 4.474 8.998 43 3HG2 ILE 5 HG23 ILE 5 3.037 3.183 8.555 44 1HD1 ILE 5 HD11 ILE 5 5.379 6.816 9.860 45 2HD1 ILE 5 HD12 ILE 5 3.950 7.832 9.690 46 3HD1 ILE 5 HD13 ILE 5 4.199 6.470 8.600 47 H ALA 6 HN ALA 6 1.351 1.983 10.335 48 HA ALA 6 HA ALA 6 3.072 -0.436 10.308 49 1HB ALA 6 HB1 ALA 6 1.062 -0.916 11.336 50 2HB ALA 6 HB2 ALA 6 0.632 -1.302 9.670 51 3HB ALA 6 HB3 ALA 6 0.174 0.254 10.361 52 H ILE 7 HN ILE 7 4.119 -0.800 8.391 53 HA ILE 7 HA ILE 7 2.637 -0.157 5.863 54 HB ILE 7 HB ILE 7 5.612 -0.024 6.451 55 1HG1 ILE 7 HG12 ILE 7 3.553 2.159 6.021 56 2HG1 ILE 7 HG11 ILE 7 4.311 1.765 7.563 57 1HG2 ILE 7 HG21 ILE 7 3.932 0.494 3.998 58 2HG2 ILE 7 HG22 ILE 7 5.371 -0.514 4.141 59 3HG2 ILE 7 HG23 ILE 7 5.514 1.243 4.203 60 1HD1 ILE 7 HD11 ILE 7 6.504 2.353 6.683 61 2HD1 ILE 7 HD12 ILE 7 5.399 3.697 6.398 62 3HD1 ILE 7 HD13 ILE 7 5.825 2.612 5.076 63 H CYS 8 HN CYS 8 2.124 -2.024 4.835 64 HA CYS 8 HA CYS 8 3.812 -4.448 5.276 65 1HB CYS 8 HB2 CYS 8 1.334 -4.394 5.725 66 2HB CYS 8 HB1 CYS 8 1.076 -4.106 4.006 67 HG CYS 8 HG CYS 8 0.989 -6.646 4.134 68 H ILE 9 HN ILE 9 5.423 -4.573 3.702 69 HA ILE 9 HA ILE 9 4.787 -3.565 0.966 70 HB ILE 9 HB ILE 9 6.798 -2.810 2.167 71 1HG1 ILE 9 HG12 ILE 9 6.700 -3.461 -0.429 72 2HG1 ILE 9 HG11 ILE 9 8.193 -2.903 0.318 73 1HG2 ILE 9 HG21 ILE 9 8.553 -4.890 2.220 74 2HG2 ILE 9 HG22 ILE 9 7.042 -5.714 2.594 75 3HG2 ILE 9 HG23 ILE 9 7.586 -4.374 3.599 76 1HD1 ILE 9 HD11 ILE 9 8.874 -5.260 0.669 77 2HD1 ILE 9 HD12 ILE 9 8.598 -4.908 -1.036 78 3HD1 ILE 9 HD13 ILE 9 7.386 -5.794 -0.113 79 H TRP 10 HN TRP 10 5.024 -4.901 -0.866 80 HA TRP 10 HA TRP 10 5.310 -7.836 -0.295 81 1HB TRP 10 HB2 TRP 10 3.002 -7.349 -0.802 82 2HB TRP 10 HB1 TRP 10 3.461 -6.346 -2.179 83 HD1 TRP 10 HD1 TRP 10 5.410 -9.531 -1.721 84 HE1 TRP 10 HE1 TRP 10 4.751 -11.219 -3.559 85 HE3 TRP 10 HE3 TRP 10 1.364 -7.134 -3.693 86 HZ2 TRP 10 HZ2 TRP 10 2.754 -11.508 -5.595 87 HZ3 TRP 10 HZ3 TRP 10 0.101 -8.130 -5.575 88 HH2 TRP 10 HH2 TRP 10 0.790 -10.315 -6.527 89 H VAL 11 HN VAL 11 7.140 -8.551 -1.237 90 HA VAL 11 HA VAL 11 7.785 -7.880 -4.013 91 HB VAL 11 HB VAL 11 8.439 -5.890 -2.650 92 1HG1 VAL 11 HG11 VAL 11 10.169 -6.081 -0.979 93 2HG1 VAL 11 HG12 VAL 11 10.380 -7.797 -1.324 94 3HG1 VAL 11 HG13 VAL 11 8.886 -7.222 -0.581 95 1HG2 VAL 11 HG21 VAL 11 9.867 -5.872 -4.434 96 2HG2 VAL 11 HG22 VAL 11 10.349 -7.547 -4.198 97 3HG2 VAL 11 HG23 VAL 11 11.070 -6.278 -3.211 98 H GLU 12 HN GLU 12 8.685 -9.764 -4.791 99 HA GLU 12 HA GLU 12 9.530 -11.881 -2.958 100 1HB GLU 12 HB2 GLU 12 9.169 -11.469 -5.904 101 2HB GLU 12 HB1 GLU 12 10.118 -12.854 -5.365 102 1HG GLU 12 HG2 GLU 12 7.430 -12.284 -4.136 103 2HG GLU 12 HG1 GLU 12 7.546 -13.149 -5.669 104 H SER 13 HN SER 13 11.123 -9.177 -4.084 105 HA SER 13 HA SER 13 13.771 -10.566 -4.218 106 1HB SER 13 HB2 SER 13 12.820 -9.075 -6.097 107 2HB SER 13 HB1 SER 13 13.113 -7.722 -5.010 108 HG SER 13 HG SER 13 14.938 -9.499 -6.216 109 H THR 14 HN THR 14 15.169 -10.245 -2.533 110 HA THR 14 HA THR 14 14.429 -8.789 -0.171 111 HB THR 14 HB THR 14 17.249 -9.476 -0.980 112 HG1 THR 14 HG1 THR 14 15.171 -11.259 -0.242 113 1HG2 THR 14 HG21 THR 14 17.175 -10.326 1.442 114 2HG2 THR 14 HG22 THR 14 15.629 -9.489 1.566 115 3HG2 THR 14 HG23 THR 14 17.098 -8.580 1.211 116 H ALA 15 HN ALA 15 16.730 -8.061 -2.814 117 HA ALA 15 HA ALA 15 17.756 -5.616 -1.875 118 1HB ALA 15 HB1 ALA 15 17.778 -5.155 -4.463 119 2HB ALA 15 HB2 ALA 15 17.128 -6.789 -4.577 120 3HB ALA 15 HB3 ALA 15 18.701 -6.518 -3.831 121 H ILE 16 HN ILE 16 14.828 -6.157 -3.872 122 HA ILE 16 HA ILE 16 14.006 -3.390 -3.831 123 HB ILE 16 HB ILE 16 12.539 -6.014 -4.296 124 1HG1 ILE 16 HG12 ILE 16 13.412 -3.974 -6.346 125 2HG1 ILE 16 HG11 ILE 16 14.501 -5.251 -5.802 126 1HG2 ILE 16 HG21 ILE 16 10.874 -4.357 -3.756 127 2HG2 ILE 16 HG22 ILE 16 10.893 -4.508 -5.515 128 3HG2 ILE 16 HG23 ILE 16 11.689 -3.138 -4.739 129 1HD1 ILE 16 HD11 ILE 16 12.660 -5.497 -7.850 130 2HD1 ILE 16 HD12 ILE 16 11.820 -6.230 -6.484 131 3HD1 ILE 16 HD13 ILE 16 13.399 -6.840 -6.978 132 H LEU 17 HN LEU 17 13.325 -6.229 -1.805 133 HA LEU 17 HA LEU 17 11.350 -5.041 -0.087 134 1HB LEU 17 HB2 LEU 17 11.602 -7.392 -0.006 135 2HB LEU 17 HB1 LEU 17 13.357 -7.290 0.055 136 HG LEU 17 HG LEU 17 12.034 -7.908 2.228 137 1HD1 LEU 17 HD11 LEU 17 14.518 -6.788 1.708 138 2HD1 LEU 17 HD12 LEU 17 13.999 -7.471 3.248 139 3HD1 LEU 17 HD13 LEU 17 13.856 -5.737 2.960 140 1HD2 LEU 17 HD21 LEU 17 10.786 -6.307 3.228 141 2HD2 LEU 17 HD22 LEU 17 10.850 -5.445 1.693 142 3HD2 LEU 17 HD23 LEU 17 12.018 -5.074 2.962 143 H GLN 18 HN GLN 18 14.893 -5.331 0.156 144 HA GLN 18 HA GLN 18 15.178 -3.930 2.644 145 1HB GLN 18 HB2 GLN 18 17.009 -4.382 0.269 146 2HB GLN 18 HB1 GLN 18 17.553 -3.692 1.797 147 1HG GLN 18 HG2 GLN 18 16.632 -5.755 2.944 148 2HG GLN 18 HG1 GLN 18 16.387 -6.449 1.342 149 1HE2 GLN 18 HE21 GLN 18 18.143 -7.851 2.897 150 2HE2 GLN 18 HE22 GLN 18 19.751 -7.570 2.432 151 H ASP 19 HN ASP 19 15.587 -2.775 -0.745 152 HA ASP 19 HA ASP 19 16.143 -0.060 -0.078 153 1HB ASP 19 HB2 ASP 19 14.664 -1.138 -2.499 154 2HB ASP 19 HB1 ASP 19 15.633 0.334 -2.419 155 H CYS 20 HN CYS 20 13.051 -1.727 -0.727 156 HA CYS 20 HA CYS 20 11.333 0.547 -0.557 157 1HB CYS 20 HB2 CYS 20 11.001 -2.397 0.076 158 2HB CYS 20 HB1 CYS 20 9.651 -1.266 0.096 159 HG CYS 20 HG CYS 20 10.735 -2.514 -2.374 160 H GLN 21 HN GLN 21 12.593 -1.653 1.939 161 HA GLN 21 HA GLN 21 11.132 -0.251 4.072 162 1HB GLN 21 HB2 GLN 21 13.137 -2.513 3.953 163 2HB GLN 21 HB1 GLN 21 12.375 -1.965 5.446 164 1HG GLN 21 HG2 GLN 21 10.134 -2.301 4.223 165 2HG GLN 21 HG1 GLN 21 11.062 -3.212 3.032 166 1HE2 GLN 21 HE21 GLN 21 12.924 -3.987 5.435 167 2HE2 GLN 21 HE22 GLN 21 12.089 -5.270 6.162 168 H ARG 22 HN ARG 22 14.477 -0.494 2.895 169 HA ARG 22 HA ARG 22 15.878 0.751 4.970 170 1HB ARG 22 HB2 ARG 22 16.060 0.703 1.977 171 2HB ARG 22 HB1 ARG 22 17.168 1.733 2.880 172 1HG ARG 22 HG2 ARG 22 17.905 -0.219 4.211 173 2HG ARG 22 HG1 ARG 22 16.797 -1.252 3.306 174 1HD ARG 22 HD2 ARG 22 18.016 -0.933 1.263 175 2HD ARG 22 HD1 ARG 22 18.972 0.386 1.968 176 HE ARG 22 HE ARG 22 19.442 -2.470 2.385 177 1HH1 ARG 22 HH11 ARG 22 19.676 0.702 3.732 178 2HH1 ARG 22 HH12 ARG 22 21.033 0.314 4.737 179 1HH2 ARG 22 HH21 ARG 22 21.228 -2.977 3.676 180 2HH2 ARG 22 HH22 ARG 22 21.915 -1.760 4.699 181 H ALA 23 HN ALA 23 14.267 2.389 2.207 182 HA ALA 23 HA ALA 23 14.725 5.047 3.185 183 1HB ALA 23 HB1 ALA 23 14.010 4.359 0.871 184 2HB ALA 23 HB2 ALA 23 13.012 5.645 1.549 185 3HB ALA 23 HB3 ALA 23 12.413 3.987 1.518 186 H LEU 24 HN LEU 24 11.856 2.895 3.490 187 HA LEU 24 HA LEU 24 10.554 4.683 5.414 188 1HB LEU 24 HB2 LEU 24 10.047 1.810 4.564 189 2HB LEU 24 HB1 LEU 24 8.919 2.818 5.468 190 HG LEU 24 HG LEU 24 9.987 3.460 2.708 191 1HD1 LEU 24 HD11 LEU 24 7.709 1.889 3.661 192 2HD1 LEU 24 HD12 LEU 24 8.401 1.995 2.042 193 3HD1 LEU 24 HD13 LEU 24 7.238 3.203 2.584 194 1HD2 LEU 24 HD21 LEU 24 7.960 5.103 2.941 195 2HD2 LEU 24 HD22 LEU 24 9.497 5.520 3.699 196 3HD2 LEU 24 HD23 LEU 24 8.189 4.851 4.671 197 H SER 25 HN SER 25 12.822 4.490 6.673 198 HA SER 25 HA SER 25 12.725 2.141 8.518 199 1HB SER 25 HB2 SER 25 14.798 2.220 7.427 200 2HB SER 25 HB1 SER 25 14.855 3.980 7.464 201 HG SER 25 HG SER 25 14.778 2.541 9.870 202 H ALA 26 HN ALA 26 11.905 5.410 8.421 203 HA ALA 26 HA ALA 26 12.668 6.816 10.591 204 1HB ALA 26 HB1 ALA 26 10.507 6.803 8.959 205 2HB ALA 26 HB2 ALA 26 10.615 7.842 10.381 206 3HB ALA 26 HB3 ALA 26 9.734 6.315 10.470 207 H ASP 27 HN ASP 27 12.593 6.690 12.838 208 HA ASP 27 HA ASP 27 12.534 4.254 14.211 209 1HB ASP 27 HB2 ASP 27 13.193 6.747 14.811 210 2HB ASP 27 HB1 ASP 27 11.576 6.780 15.510 211 H ARG 28 HN ARG 28 9.830 6.061 13.013 212 HA ARG 28 HA ARG 28 7.964 4.588 14.825 213 1HB ARG 28 HB2 ARG 28 6.439 6.379 14.290 214 2HB ARG 28 HB1 ARG 28 8.006 7.116 14.612 215 1HG ARG 28 HG2 ARG 28 8.436 6.956 12.091 216 2HG ARG 28 HG1 ARG 28 6.714 6.605 11.930 217 1HD ARG 28 HD2 ARG 28 6.235 8.724 13.216 218 2HD ARG 28 HD1 ARG 28 7.966 9.103 13.109 219 HE ARG 28 HE ARG 28 7.114 8.426 10.502 220 1HH1 ARG 28 HH11 ARG 28 6.503 10.782 12.953 221 2HH1 ARG 28 HH12 ARG 28 6.138 12.046 11.828 222 1HH2 ARG 28 HH21 ARG 28 6.674 10.079 9.023 223 2HH2 ARG 28 HH22 ARG 28 6.233 11.649 9.606 224 H TYR 29 HN TYR 29 9.272 3.339 12.409 225 HA TYR 29 HA TYR 29 6.829 2.992 10.717 226 1HB TYR 29 HB2 TYR 29 9.756 3.110 10.216 227 2HB TYR 29 HB1 TYR 29 8.853 1.949 9.245 228 HD1 TYR 29 HD1 TYR 29 6.212 3.475 9.130 229 HD2 TYR 29 HD2 TYR 29 10.263 4.703 8.549 230 HE1 TYR 29 HE1 TYR 29 5.438 5.328 7.692 231 HE2 TYR 29 HE2 TYR 29 9.510 6.561 7.110 232 HH TYR 29 HH TYR 29 7.757 7.644 6.280 233 H GLN 30 HN GLN 30 5.940 1.005 10.560 234 HA GLN 30 HA GLN 30 7.402 -1.295 11.832 235 1HB GLN 30 HB2 GLN 30 5.357 -0.437 12.999 236 2HB GLN 30 HB1 GLN 30 4.425 -0.747 11.536 237 1HG GLN 30 HG2 GLN 30 5.090 -3.153 11.677 238 2HG GLN 30 HG1 GLN 30 5.881 -2.804 13.215 239 1HE2 GLN 30 HE21 GLN 30 3.669 -0.731 13.783 240 2HE2 GLN 30 HE22 GLN 30 2.354 -1.670 14.303 241 H LEU 31 HN LEU 31 8.379 -1.798 9.762 242 HA LEU 31 HA LEU 31 6.721 -2.156 7.393 243 1HB LEU 31 HB2 LEU 31 9.572 -3.024 7.905 244 2HB LEU 31 HB1 LEU 31 8.834 -2.613 6.359 245 HG LEU 31 HG LEU 31 9.558 -0.772 8.634 246 1HD1 LEU 31 HD11 LEU 31 10.095 0.297 6.073 247 2HD1 LEU 31 HD12 LEU 31 10.582 -1.398 6.015 248 3HD1 LEU 31 HD13 LEU 31 11.264 -0.327 7.240 249 1HD2 LEU 31 HD21 LEU 31 7.485 -0.421 6.476 250 2HD2 LEU 31 HD22 LEU 31 8.369 0.975 7.095 251 3HD2 LEU 31 HD23 LEU 31 7.384 -0.001 8.186 252 H GLN 32 HN GLN 32 5.621 -3.929 6.889 253 HA GLN 32 HA GLN 32 6.280 -6.529 8.209 254 1HB GLN 32 HB2 GLN 32 3.917 -5.095 7.819 255 2HB GLN 32 HB1 GLN 32 3.859 -6.323 6.554 256 1HG GLN 32 HG2 GLN 32 4.234 -6.802 9.525 257 2HG GLN 32 HG1 GLN 32 2.822 -7.230 8.560 258 1HE2 GLN 32 HE21 GLN 32 5.958 -8.302 9.570 259 2HE2 GLN 32 HE22 GLN 32 6.014 -9.709 8.624 260 H VAL 33 HN VAL 33 6.954 -8.243 6.866 261 HA VAL 33 HA VAL 33 7.297 -7.530 3.983 262 HB VAL 33 HB VAL 33 8.716 -9.625 5.635 263 1HG1 VAL 33 HG11 VAL 33 9.845 -10.051 3.730 264 2HG1 VAL 33 HG12 VAL 33 10.190 -8.338 3.498 265 3HG1 VAL 33 HG13 VAL 33 8.687 -9.025 2.883 266 1HG2 VAL 33 HG21 VAL 33 9.260 -7.650 6.774 267 2HG2 VAL 33 HG22 VAL 33 9.155 -6.664 5.315 268 3HG2 VAL 33 HG23 VAL 33 10.536 -7.734 5.560 269 H CYS 34 HN CYS 34 6.143 -8.661 2.518 270 HA CYS 34 HA CYS 34 4.862 -11.231 3.375 271 1HB CYS 34 HB2 CYS 34 4.124 -9.115 1.331 272 2HB CYS 34 HB1 CYS 34 3.267 -10.647 1.493 273 HG CYS 34 HG CYS 34 3.438 -8.598 3.853 274 H GLU 35 HN GLU 35 6.063 -12.913 2.598 275 HA GLU 35 HA GLU 35 7.958 -12.794 0.486 276 1HB GLU 35 HB2 GLU 35 6.340 -15.069 1.676 277 2HB GLU 35 HB1 GLU 35 7.757 -15.294 0.649 278 1HG GLU 35 HG2 GLU 35 9.091 -13.930 2.272 279 2HG GLU 35 HG1 GLU 35 7.678 -13.871 3.328 280 H SER 36 HN SER 36 4.472 -13.393 0.440 281 HA SER 36 HA SER 36 4.632 -13.653 -2.554 282 1HB SER 36 HB2 SER 36 2.710 -14.912 -0.576 283 2HB SER 36 HB1 SER 36 2.647 -15.122 -2.324 284 HG SER 36 HG SER 36 3.978 -16.705 -1.953 285 H GLY 37 HN GLY 37 1.952 -13.413 -3.145 286 1HA GLY 37 HA2 GLY 37 1.372 -10.621 -2.272 287 2HA GLY 37 HA1 GLY 37 0.758 -11.370 -3.753 288 H GLU 38 HN GLU 38 0.224 -13.892 -2.435 289 HA GLU 38 HA GLU 38 -2.482 -13.465 -1.555 290 1HB GLU 38 HB2 GLU 38 -0.465 -15.684 -1.764 291 2HB GLU 38 HB1 GLU 38 -1.952 -15.975 -0.878 292 1HG GLU 38 HG2 GLU 38 -3.282 -15.311 -2.832 293 2HG GLU 38 HG1 GLU 38 -1.802 -14.957 -3.725 294 H MET 39 HN MET 39 0.648 -14.017 -0.011 295 HA MET 39 HA MET 39 -0.254 -14.319 2.674 296 1HB MET 39 HB2 MET 39 2.275 -13.279 1.379 297 2HB MET 39 HB1 MET 39 2.132 -13.498 3.121 298 1HG MET 39 HG2 MET 39 1.470 -15.891 2.685 299 2HG MET 39 HG1 MET 39 1.873 -15.631 0.988 300 1HE MET 39 HE1 MET 39 3.714 -16.412 4.627 301 2HE MET 39 HE2 MET 39 2.799 -14.922 4.418 302 3HE MET 39 HE3 MET 39 4.555 -14.859 4.522 303 H LEU 40 HN LEU 40 0.685 -11.491 0.755 304 HA LEU 40 HA LEU 40 0.472 -9.470 2.724 305 1HB LEU 40 HB2 LEU 40 1.365 -8.698 0.751 306 2HB LEU 40 HB1 LEU 40 0.390 -9.792 -0.227 307 HG LEU 40 HG LEU 40 -1.582 -8.332 0.130 308 1HD1 LEU 40 HD11 LEU 40 -0.923 -7.408 2.308 309 2HD1 LEU 40 HD12 LEU 40 -1.240 -6.109 1.160 310 3HD1 LEU 40 HD13 LEU 40 0.420 -6.552 1.552 311 1HD2 LEU 40 HD21 LEU 40 -0.514 -6.246 -1.050 312 2HD2 LEU 40 HD22 LEU 40 -0.503 -7.803 -1.878 313 3HD2 LEU 40 HD23 LEU 40 0.951 -7.228 -1.060 314 H LEU 41 HN LEU 41 -1.998 -10.819 0.537 315 HA LEU 41 HA LEU 41 -4.204 -9.214 1.262 316 1HB LEU 41 HB2 LEU 41 -3.960 -12.136 0.481 317 2HB LEU 41 HB1 LEU 41 -5.464 -11.222 0.436 318 HG LEU 41 HG LEU 41 -2.978 -10.351 -1.033 319 1HD1 LEU 41 HD11 LEU 41 -4.766 -12.518 -1.623 320 2HD1 LEU 41 HD12 LEU 41 -3.429 -11.908 -2.599 321 3HD1 LEU 41 HD13 LEU 41 -5.045 -11.225 -2.791 322 1HD2 LEU 41 HD21 LEU 41 -5.908 -9.576 -1.086 323 2HD2 LEU 41 HD22 LEU 41 -4.718 -9.005 -2.262 324 3HD2 LEU 41 HD23 LEU 41 -4.553 -8.578 -0.558 325 H GLU 42 HN GLU 42 -3.039 -12.250 2.725 326 HA GLU 42 HA GLU 42 -5.120 -12.529 4.663 327 1HB GLU 42 HB2 GLU 42 -3.329 -14.170 3.842 328 2HB GLU 42 HB1 GLU 42 -2.222 -13.356 4.950 329 1HG GLU 42 HG2 GLU 42 -4.030 -13.781 6.751 330 2HG GLU 42 HG1 GLU 42 -4.705 -14.939 5.602 331 H TYR 43 HN TYR 43 -1.955 -10.862 4.820 332 HA TYR 43 HA TYR 43 -2.193 -10.118 7.602 333 1HB TYR 43 HB2 TYR 43 -0.029 -10.082 6.670 334 2HB TYR 43 HB1 TYR 43 -0.566 -9.235 5.219 335 HD1 TYR 43 HD1 TYR 43 -1.024 -6.818 5.266 336 HD2 TYR 43 HD2 TYR 43 0.412 -8.891 8.742 337 HE1 TYR 43 HE1 TYR 43 -0.482 -4.651 6.337 338 HE2 TYR 43 HE2 TYR 43 0.964 -6.723 9.811 339 HH TYR 43 HH TYR 43 1.455 -4.077 8.454 340 H ALA 44 HN ALA 44 -3.141 -8.548 4.547 341 HA ALA 44 HA ALA 44 -3.985 -6.070 5.844 342 1HB ALA 44 HB1 ALA 44 -4.814 -5.573 3.582 343 2HB ALA 44 HB2 ALA 44 -4.613 -7.263 3.122 344 3HB ALA 44 HB3 ALA 44 -3.200 -6.274 3.491 345 H GLN 45 HN GLN 45 -5.581 -9.043 4.704 346 HA GLN 45 HA GLN 45 -8.282 -8.334 4.905 347 1HB GLN 45 HB2 GLN 45 -6.671 -10.829 5.358 348 2HB GLN 45 HB1 GLN 45 -8.406 -10.858 5.687 349 1HG GLN 45 HG2 GLN 45 -8.891 -10.109 3.439 350 2HG GLN 45 HG1 GLN 45 -7.173 -9.913 3.097 351 1HE2 GLN 45 HE21 GLN 45 -6.518 -11.563 1.779 352 2HE2 GLN 45 HE22 GLN 45 -6.967 -13.186 1.909 353 H THR 46 HN THR 46 -5.975 -8.532 7.502 354 HA THR 46 HA THR 46 -8.269 -8.375 9.424 355 HB THR 46 HB THR 46 -7.197 -9.910 10.804 356 HG1 THR 46 HG1 THR 46 -5.187 -9.589 11.216 357 1HG2 THR 46 HG21 THR 46 -6.379 -11.751 9.404 358 2HG2 THR 46 HG22 THR 46 -6.121 -10.636 8.062 359 3HG2 THR 46 HG23 THR 46 -7.757 -10.974 8.622 360 H HIS 47 HN HIS 47 -6.243 -6.359 8.052 361 HA HIS 47 HA HIS 47 -5.945 -4.714 10.502 362 1HB HIS 47 HB2 HIS 47 -3.688 -5.835 8.831 363 2HB HIS 47 HB1 HIS 47 -3.474 -4.367 9.783 364 HD1 HIS 47 HD1 HIS 47 -4.380 -8.028 10.218 365 HD2 HIS 47 HD2 HIS 47 -3.108 -4.796 12.522 366 HE1 HIS 47 HE1 HIS 47 -3.897 -8.945 12.528 367 H ARG 48 HN ARG 48 -7.164 -4.802 7.609 368 HA ARG 48 HA ARG 48 -6.185 -2.949 5.809 369 1HB ARG 48 HB2 ARG 48 -9.011 -2.498 6.678 370 2HB ARG 48 HB1 ARG 48 -8.370 -2.719 5.056 371 1HG ARG 48 HG2 ARG 48 -8.004 -5.145 5.625 372 2HG ARG 48 HG1 ARG 48 -8.877 -4.853 7.133 373 1HD ARG 48 HD2 ARG 48 -10.133 -4.005 4.540 374 2HD ARG 48 HD1 ARG 48 -10.234 -5.701 5.053 375 HE ARG 48 HE ARG 48 -10.845 -4.072 7.299 376 1HH1 ARG 48 HH11 ARG 48 -12.075 -4.927 4.185 377 2HH1 ARG 48 HH12 ARG 48 -13.729 -4.670 4.627 378 1HH2 ARG 48 HH21 ARG 48 -12.999 -3.748 7.889 379 2HH2 ARG 48 HH22 ARG 48 -14.254 -4.009 6.724 380 H ASP 49 HN ASP 49 -8.247 -2.092 8.556 381 HA ASP 49 HA ASP 49 -7.855 0.750 8.344 382 1HB ASP 49 HB2 ASP 49 -8.686 -1.078 10.618 383 2HB ASP 49 HB1 ASP 49 -8.875 0.677 10.640 384 H GLN 50 HN GLN 50 -6.074 -1.815 9.964 385 HA GLN 50 HA GLN 50 -4.436 0.020 11.563 386 1HB GLN 50 HB2 GLN 50 -4.278 -2.940 10.907 387 2HB GLN 50 HB1 GLN 50 -3.266 -2.129 12.105 388 1HG GLN 50 HG2 GLN 50 -5.284 -1.425 13.341 389 2HG GLN 50 HG1 GLN 50 -6.297 -2.234 12.144 390 1HE2 GLN 50 HE21 GLN 50 -6.949 -4.264 12.827 391 2HE2 GLN 50 HE22 GLN 50 -6.054 -5.295 13.833 392 H ILE 51 HN ILE 51 -4.214 -1.536 8.399 393 HA ILE 51 HA ILE 51 -1.360 -1.148 8.071 394 HB ILE 51 HB ILE 51 -3.588 -1.419 6.019 395 1HG1 ILE 51 HG12 ILE 51 -3.840 -3.441 7.084 396 2HG1 ILE 51 HG11 ILE 51 -2.438 -3.865 6.112 397 1HG2 ILE 51 HG21 ILE 51 -1.964 -1.324 4.469 398 2HG2 ILE 51 HG22 ILE 51 -1.106 -2.642 5.268 399 3HG2 ILE 51 HG23 ILE 51 -0.790 -0.972 5.738 400 1HD1 ILE 51 HD11 ILE 51 -0.990 -3.082 8.058 401 2HD1 ILE 51 HD12 ILE 51 -1.925 -4.549 8.354 402 3HD1 ILE 51 HD13 ILE 51 -2.469 -3.008 9.015 403 H ASP 52 HN ASP 52 -0.548 0.899 8.190 404 HA ASP 52 HA ASP 52 -2.072 3.268 7.489 405 1HB ASP 52 HB2 ASP 52 0.791 2.635 8.242 406 2HB ASP 52 HB1 ASP 52 0.251 4.280 7.918 407 H CYS 53 HN CYS 53 0.571 1.424 5.954 408 HA CYS 53 HA CYS 53 -0.061 2.776 3.367 409 1HB CYS 53 HB2 CYS 53 1.856 3.703 5.033 410 2HB CYS 53 HB1 CYS 53 2.792 2.499 4.151 411 HG CYS 53 HG CYS 53 1.277 4.141 2.154 412 H LEU 54 HN LEU 54 0.318 1.407 1.564 413 HA LEU 54 HA LEU 54 1.524 -1.288 2.218 414 1HB LEU 54 HB2 LEU 54 -0.805 -1.504 1.710 415 2HB LEU 54 HB1 LEU 54 -0.674 -0.408 0.337 416 HG LEU 54 HG LEU 54 0.807 -2.045 -0.808 417 1HD1 LEU 54 HD11 LEU 54 0.790 -3.244 1.821 418 2HD1 LEU 54 HD12 LEU 54 1.796 -3.645 0.428 419 3HD1 LEU 54 HD13 LEU 54 0.217 -4.404 0.624 420 1HD2 LEU 54 HD21 LEU 54 -0.944 -3.674 -1.347 421 2HD2 LEU 54 HD22 LEU 54 -1.665 -2.075 -1.169 422 3HD2 LEU 54 HD23 LEU 54 -1.813 -3.258 0.130 423 H ILE 55 HN ILE 55 3.355 -1.877 1.029 424 HA ILE 55 HA ILE 55 4.115 -0.076 -1.241 425 HB ILE 55 HB ILE 55 5.714 -2.148 0.276 426 1HG1 ILE 55 HG12 ILE 55 5.773 0.843 0.670 427 2HG1 ILE 55 HG11 ILE 55 4.813 -0.241 1.681 428 1HG2 ILE 55 HG21 ILE 55 6.298 -0.153 -1.862 429 2HG2 ILE 55 HG22 ILE 55 6.984 -1.758 -1.611 430 3HG2 ILE 55 HG23 ILE 55 7.529 -0.401 -0.624 431 1HD1 ILE 55 HD11 ILE 55 7.562 -1.171 1.292 432 2HD1 ILE 55 HD12 ILE 55 6.632 -1.011 2.783 433 3HD1 ILE 55 HD13 ILE 55 7.471 0.389 2.111 434 H LEU 56 HN LEU 56 3.973 -0.909 -3.295 435 HA LEU 56 HA LEU 56 3.856 -3.888 -3.569 436 1HB LEU 56 HB2 LEU 56 2.114 -1.698 -4.694 437 2HB LEU 56 HB1 LEU 56 2.144 -3.313 -5.390 438 HG LEU 56 HG LEU 56 1.505 -2.657 -2.501 439 1HD1 LEU 56 HD11 LEU 56 -0.500 -3.995 -4.174 440 2HD1 LEU 56 HD12 LEU 56 -0.109 -2.364 -4.718 441 3HD1 LEU 56 HD13 LEU 56 -0.685 -2.631 -3.073 442 1HD2 LEU 56 HD21 LEU 56 1.981 -4.827 -2.116 443 2HD2 LEU 56 HD22 LEU 56 2.328 -5.094 -3.825 444 3HD2 LEU 56 HD23 LEU 56 0.678 -5.264 -3.222 445 H VAL 57 HN VAL 57 4.707 -4.719 -5.496 446 HA VAL 57 HA VAL 57 6.400 -2.821 -7.092 447 HB VAL 57 HB VAL 57 6.632 -5.749 -6.342 448 1HG1 VAL 57 HG11 VAL 57 8.749 -5.668 -7.747 449 2HG1 VAL 57 HG12 VAL 57 8.152 -4.154 -8.425 450 3HG1 VAL 57 HG13 VAL 57 7.246 -5.646 -8.670 451 1HG2 VAL 57 HG21 VAL 57 7.671 -4.549 -4.645 452 2HG2 VAL 57 HG22 VAL 57 8.075 -3.199 -5.706 453 3HG2 VAL 57 HG23 VAL 57 9.016 -4.689 -5.778 454 H ALA 58 HN ALA 58 5.525 -2.457 -9.114 455 HA ALA 58 HA ALA 58 3.374 -4.076 -10.170 456 1HB ALA 58 HB1 ALA 58 3.488 -1.738 -10.667 457 2HB ALA 58 HB2 ALA 58 3.809 -2.579 -12.186 458 3HB ALA 58 HB3 ALA 58 5.142 -1.883 -11.263 459 H ALA 59 HN ALA 59 6.860 -4.193 -10.492 460 HA ALA 59 HA ALA 59 7.156 -5.511 -12.973 461 1HB ALA 59 HB1 ALA 59 9.264 -6.312 -11.998 462 2HB ALA 59 HB2 ALA 59 8.666 -5.963 -10.376 463 3HB ALA 59 HB3 ALA 59 8.966 -4.645 -11.509 464 H ASN 60 HN ASN 60 5.581 -6.661 -10.121 465 HA ASN 60 HA ASN 60 6.032 -9.503 -10.525 466 1HB ASN 60 HB2 ASN 60 4.184 -7.723 -8.962 467 2HB ASN 60 HB1 ASN 60 3.875 -9.461 -9.014 468 1HD2 ASN 60 HD21 ASN 60 4.923 -7.632 -6.755 469 2HD2 ASN 60 HD22 ASN 60 6.343 -8.403 -6.236 470 HA PRO 61 HA PRO 61 3.000 -10.184 -13.642 471 1HB PRO 61 HB2 PRO 61 2.372 -12.791 -13.148 472 2HB PRO 61 HB1 PRO 61 3.932 -12.285 -13.818 473 1HG PRO 61 HG2 PRO 61 3.271 -13.225 -11.112 474 2HG PRO 61 HG1 PRO 61 4.805 -13.280 -11.985 475 1HD PRO 61 HD2 PRO 61 4.053 -11.448 -9.962 476 2HD PRO 61 HD1 PRO 61 5.512 -11.397 -10.970 477 H SER 62 HN SER 62 1.740 -12.191 -10.988 478 HA SER 62 HA SER 62 -1.001 -11.371 -11.524 479 1HB SER 62 HB2 SER 62 -1.380 -12.846 -9.490 480 2HB SER 62 HB1 SER 62 -0.516 -13.617 -10.817 481 HG SER 62 HG SER 62 1.186 -13.765 -9.587 482 H PHE 63 HN PHE 63 1.372 -9.631 -10.122 483 HA PHE 63 HA PHE 63 0.523 -8.812 -7.591 484 1HB PHE 63 HB2 PHE 63 2.523 -7.914 -8.315 485 2HB PHE 63 HB1 PHE 63 1.914 -7.576 -9.935 486 HD1 PHE 63 HD1 PHE 63 1.692 -5.326 -10.449 487 HD2 PHE 63 HD2 PHE 63 1.030 -6.629 -6.416 488 HE1 PHE 63 HE1 PHE 63 1.192 -3.000 -9.777 489 HE2 PHE 63 HE2 PHE 63 0.524 -4.307 -5.743 490 HZ PHE 63 HZ PHE 63 0.602 -2.480 -7.422 491 H ARG 64 HN ARG 64 -0.573 -7.483 -10.750 492 HA ARG 64 HA ARG 64 -2.418 -5.586 -9.738 493 1HB ARG 64 HB2 ARG 64 -1.934 -7.112 -12.232 494 2HB ARG 64 HB1 ARG 64 -3.569 -6.484 -12.051 495 1HG ARG 64 HG2 ARG 64 -2.315 -4.776 -13.172 496 2HG ARG 64 HG1 ARG 64 -2.526 -4.228 -11.512 497 1HD ARG 64 HD2 ARG 64 -0.285 -4.126 -11.222 498 2HD ARG 64 HD1 ARG 64 -0.107 -5.817 -11.727 499 HE ARG 64 HE ARG 64 0.169 -3.464 -13.462 500 1HH1 ARG 64 HH11 ARG 64 -0.405 -6.867 -13.210 501 2HH1 ARG 64 HH12 ARG 64 0.013 -7.184 -14.857 502 1HH2 ARG 64 HH21 ARG 64 0.702 -3.875 -15.607 503 2HH2 ARG 64 HH22 ARG 64 0.635 -5.496 -16.214 504 H ALA 65 HN ALA 65 -2.815 -9.073 -10.375 505 HA ALA 65 HA ALA 65 -5.632 -9.203 -9.797 506 1HB ALA 65 HB1 ALA 65 -4.091 -11.584 -9.116 507 2HB ALA 65 HB2 ALA 65 -3.548 -10.883 -10.641 508 3HB ALA 65 HB3 ALA 65 -5.239 -11.343 -10.435 509 H VAL 66 HN VAL 66 -2.732 -9.768 -7.782 510 HA VAL 66 HA VAL 66 -4.110 -10.438 -5.371 511 HB VAL 66 HB VAL 66 -1.437 -9.247 -6.114 512 1HG1 VAL 66 HG11 VAL 66 -2.534 -9.783 -3.343 513 2HG1 VAL 66 HG12 VAL 66 -1.810 -8.292 -3.947 514 3HG1 VAL 66 HG13 VAL 66 -0.804 -9.717 -3.686 515 1HG2 VAL 66 HG21 VAL 66 -1.741 -11.592 -6.608 516 2HG2 VAL 66 HG22 VAL 66 -2.404 -11.892 -5.005 517 3HG2 VAL 66 HG23 VAL 66 -0.702 -11.478 -5.188 518 H VAL 67 HN VAL 67 -3.100 -7.351 -6.781 519 HA VAL 67 HA VAL 67 -3.783 -5.632 -4.615 520 HB VAL 67 HB VAL 67 -3.580 -5.392 -7.623 521 1HG1 VAL 67 HG11 VAL 67 -3.612 -2.894 -6.051 522 2HG1 VAL 67 HG12 VAL 67 -5.179 -3.684 -6.181 523 3HG1 VAL 67 HG13 VAL 67 -4.300 -3.232 -7.637 524 1HG2 VAL 67 HG21 VAL 67 -1.591 -4.025 -6.960 525 2HG2 VAL 67 HG22 VAL 67 -1.501 -5.688 -6.380 526 3HG2 VAL 67 HG23 VAL 67 -1.946 -4.390 -5.272 527 H GLN 68 HN GLN 68 -5.766 -6.703 -7.445 528 HA GLN 68 HA GLN 68 -8.079 -5.197 -6.770 529 1HB GLN 68 HB2 GLN 68 -9.055 -6.409 -8.473 530 2HB GLN 68 HB1 GLN 68 -7.386 -6.853 -8.788 531 1HG GLN 68 HG2 GLN 68 -7.643 -8.970 -7.742 532 2HG GLN 68 HG1 GLN 68 -9.147 -8.500 -6.963 533 1HE2 GLN 68 HE21 GLN 68 -11.097 -8.744 -8.147 534 2HE2 GLN 68 HE22 GLN 68 -11.154 -9.328 -9.740 535 H GLN 69 HN GLN 69 -6.900 -8.327 -5.606 536 HA GLN 69 HA GLN 69 -9.128 -9.163 -4.079 537 1HB GLN 69 HB2 GLN 69 -6.849 -10.265 -4.598 538 2HB GLN 69 HB1 GLN 69 -6.226 -9.345 -3.231 539 1HG GLN 69 HG2 GLN 69 -7.061 -10.864 -1.799 540 2HG GLN 69 HG1 GLN 69 -8.681 -10.612 -2.449 541 1HE2 GLN 69 HE21 GLN 69 -9.507 -12.171 -3.929 542 2HE2 GLN 69 HE22 GLN 69 -8.657 -13.570 -4.375 543 H LEU 70 HN LEU 70 -6.338 -7.118 -3.043 544 HA LEU 70 HA LEU 70 -7.192 -6.471 -0.436 545 1HB LEU 70 HB2 LEU 70 -5.612 -5.134 -2.608 546 2HB LEU 70 HB1 LEU 70 -6.057 -4.164 -1.205 547 HG LEU 70 HG LEU 70 -4.998 -6.820 -0.522 548 1HD1 LEU 70 HD11 LEU 70 -3.218 -6.777 -1.911 549 2HD1 LEU 70 HD12 LEU 70 -2.659 -5.377 -1.001 550 3HD1 LEU 70 HD13 LEU 70 -3.614 -5.152 -2.466 551 1HD2 LEU 70 HD21 LEU 70 -4.835 -5.593 1.368 552 2HD2 LEU 70 HD22 LEU 70 -5.081 -4.087 0.484 553 3HD2 LEU 70 HD23 LEU 70 -3.464 -4.775 0.620 554 H CYS 71 HN CYS 71 -7.812 -4.644 -3.440 555 HA CYS 71 HA CYS 71 -9.698 -2.787 -2.375 556 1HB CYS 71 HB2 CYS 71 -9.275 -3.984 -5.132 557 2HB CYS 71 HB1 CYS 71 -10.294 -2.581 -4.821 558 HG CYS 71 HG CYS 71 -8.130 -1.375 -5.176 559 H PHE 72 HN PHE 72 -10.157 -5.996 -3.875 560 HA PHE 72 HA PHE 72 -12.958 -6.049 -4.132 561 1HB PHE 72 HB2 PHE 72 -11.379 -7.768 -4.939 562 2HB PHE 72 HB1 PHE 72 -11.037 -8.244 -3.273 563 HD1 PHE 72 HD1 PHE 72 -12.198 -10.091 -2.450 564 HD2 PHE 72 HD2 PHE 72 -14.025 -7.626 -5.462 565 HE1 PHE 72 HE1 PHE 72 -14.180 -11.581 -2.466 566 HE2 PHE 72 HE2 PHE 72 -16.006 -9.119 -5.479 567 HZ PHE 72 HZ PHE 72 -16.082 -11.094 -3.978 568 H GLU 73 HN GLU 73 -11.018 -7.061 -1.284 569 HA GLU 73 HA GLU 73 -13.385 -7.490 0.356 570 1HB GLU 73 HB2 GLU 73 -10.460 -7.105 1.094 571 2HB GLU 73 HB1 GLU 73 -11.697 -7.837 2.116 572 1HG GLU 73 HG2 GLU 73 -11.270 -8.962 -0.626 573 2HG GLU 73 HG1 GLU 73 -10.102 -9.356 0.634 574 H GLY 74 HN GLY 74 -11.672 -4.734 -0.687 575 1HA GLY 74 HA2 GLY 74 -12.567 -2.512 -0.260 576 2HA GLY 74 HA1 GLY 74 -13.130 -3.080 1.313 577 H VAL 75 HN VAL 75 -10.024 -4.271 0.767 578 HA VAL 75 HA VAL 75 -8.889 -2.537 2.811 579 HB VAL 75 HB VAL 75 -7.477 -4.433 0.921 580 1HG1 VAL 75 HG11 VAL 75 -6.409 -2.834 2.798 581 2HG1 VAL 75 HG12 VAL 75 -5.777 -4.445 2.466 582 3HG1 VAL 75 HG13 VAL 75 -6.868 -4.191 3.827 583 1HG2 VAL 75 HG21 VAL 75 -9.386 -4.950 3.163 584 2HG2 VAL 75 HG22 VAL 75 -7.987 -6.010 3.009 585 3HG2 VAL 75 HG23 VAL 75 -9.135 -5.862 1.676 586 H VAL 76 HN VAL 76 -8.864 -0.381 1.966 587 HA VAL 76 HA VAL 76 -7.096 0.041 -0.426 588 HB VAL 76 HB VAL 76 -9.220 1.913 0.641 589 1HG1 VAL 76 HG11 VAL 76 -8.942 1.957 -2.179 590 2HG1 VAL 76 HG12 VAL 76 -7.307 1.949 -1.513 591 3HG1 VAL 76 HG13 VAL 76 -8.451 3.206 -1.034 592 1HG2 VAL 76 HG21 VAL 76 -9.480 -0.602 -0.921 593 2HG2 VAL 76 HG22 VAL 76 -10.387 0.783 -1.527 594 3HG2 VAL 76 HG23 VAL 76 -10.659 0.203 0.115 595 H VAL 77 HN VAL 77 -5.165 0.982 0.116 596 HA VAL 77 HA VAL 77 -5.054 2.879 2.443 597 HB VAL 77 HB VAL 77 -2.838 1.685 2.953 598 1HG1 VAL 77 HG11 VAL 77 -5.086 -0.273 3.178 599 2HG1 VAL 77 HG12 VAL 77 -5.234 1.286 3.988 600 3HG1 VAL 77 HG13 VAL 77 -3.895 0.209 4.387 601 1HG2 VAL 77 HG21 VAL 77 -2.396 -0.416 1.953 602 2HG2 VAL 77 HG22 VAL 77 -2.907 0.591 0.602 603 3HG2 VAL 77 HG23 VAL 77 -4.035 -0.557 1.320 604 HA PRO 78 HA PRO 78 -2.427 5.231 -0.216 605 1HB PRO 78 HB2 PRO 78 -0.366 5.988 1.430 606 2HB PRO 78 HB1 PRO 78 -1.978 6.731 1.488 607 1HG PRO 78 HG2 PRO 78 -0.791 4.652 3.251 608 2HG PRO 78 HG1 PRO 78 -1.839 6.018 3.664 609 1HD PRO 78 HD2 PRO 78 -2.760 3.475 3.465 610 2HD PRO 78 HD1 PRO 78 -3.762 4.894 3.093 611 H ALA 79 HN ALA 79 -1.885 3.340 -1.438 612 HA ALA 79 HA ALA 79 0.480 1.788 -0.620 613 1HB ALA 79 HB1 ALA 79 -0.678 1.025 -3.119 614 2HB ALA 79 HB2 ALA 79 -1.963 1.458 -1.994 615 3HB ALA 79 HB3 ALA 79 -0.807 0.206 -1.557 616 H ILE 80 HN ILE 80 2.430 1.944 -1.582 617 HA ILE 80 HA ILE 80 2.791 3.909 -3.788 618 HB ILE 80 HB ILE 80 4.801 2.568 -1.957 619 1HG1 ILE 80 HG12 ILE 80 3.334 5.190 -1.548 620 2HG1 ILE 80 HG11 ILE 80 2.994 3.702 -0.665 621 1HG2 ILE 80 HG21 ILE 80 5.430 5.261 -2.639 622 2HG2 ILE 80 HG22 ILE 80 4.999 4.421 -4.127 623 3HG2 ILE 80 HG23 ILE 80 6.293 3.797 -3.106 624 1HD1 ILE 80 HD11 ILE 80 4.684 5.561 0.273 625 2HD1 ILE 80 HD12 ILE 80 5.822 4.630 -0.704 626 3HD1 ILE 80 HD13 ILE 80 4.914 3.839 0.587 627 H VAL 81 HN VAL 81 2.955 2.957 -5.813 628 HA VAL 81 HA VAL 81 3.730 0.097 -6.018 629 HB VAL 81 HB VAL 81 2.555 2.164 -7.891 630 1HG1 VAL 81 HG11 VAL 81 4.022 -0.187 -8.570 631 2HG1 VAL 81 HG12 VAL 81 3.119 0.879 -9.647 632 3HG1 VAL 81 HG13 VAL 81 2.319 -0.504 -8.899 633 1HG2 VAL 81 HG21 VAL 81 0.723 1.487 -6.714 634 2HG2 VAL 81 HG22 VAL 81 1.542 0.055 -6.094 635 3HG2 VAL 81 HG23 VAL 81 0.832 0.033 -7.706 636 H VAL 82 HN VAL 82 5.534 -0.602 -7.271 637 HA VAL 82 HA VAL 82 7.486 1.561 -8.009 638 HB VAL 82 HB VAL 82 8.172 -1.254 -7.159 639 1HG1 VAL 82 HG11 VAL 82 10.257 -0.489 -7.500 640 2HG1 VAL 82 HG12 VAL 82 9.990 0.745 -6.270 641 3HG1 VAL 82 HG13 VAL 82 9.615 1.089 -7.958 642 1HG2 VAL 82 HG21 VAL 82 8.587 -0.079 -4.874 643 2HG2 VAL 82 HG22 VAL 82 6.936 -0.548 -5.281 644 3HG2 VAL 82 HG23 VAL 82 7.447 1.129 -5.465 645 H GLY 83 HN GLY 83 8.881 1.087 -9.841 646 1HA GLY 83 HA2 GLY 83 9.465 0.095 -11.898 647 2HA GLY 83 HA1 GLY 83 8.502 -1.309 -11.440 648 H ASP 84 HN ASP 84 7.822 2.148 -12.150 649 HA ASP 84 HA ASP 84 5.601 1.189 -13.932 650 1HB ASP 84 HB2 ASP 84 4.444 3.269 -13.202 651 2HB ASP 84 HB1 ASP 84 4.829 2.217 -11.841 652 H ARG 85 HN ARG 85 5.574 2.046 -16.000 653 HA ARG 85 HA ARG 85 7.709 4.032 -16.680 654 1HB ARG 85 HB2 ARG 85 6.180 1.944 -18.268 655 2HB ARG 85 HB1 ARG 85 7.330 3.070 -18.989 656 1HG ARG 85 HG2 ARG 85 8.993 2.197 -17.205 657 2HG ARG 85 HG1 ARG 85 7.859 0.856 -17.017 658 1HD ARG 85 HD2 ARG 85 8.989 1.697 -19.706 659 2HD ARG 85 HD1 ARG 85 9.695 0.411 -18.702 660 HE ARG 85 HE ARG 85 6.836 0.058 -19.012 661 1HH1 ARG 85 HH11 ARG 85 9.899 -0.286 -20.570 662 2HH1 ARG 85 HH12 ARG 85 9.409 -1.643 -21.525 663 1HH2 ARG 85 HH21 ARG 85 6.185 -1.727 -20.243 664 2HH2 ARG 85 HH22 ARG 85 7.306 -2.458 -21.344 665 H ASP 86 HN ASP 86 7.070 5.505 -18.523 666 HA ASP 86 HA ASP 86 4.180 6.307 -18.341 667 1HB ASP 86 HB2 ASP 86 5.015 8.626 -18.481 668 2HB ASP 86 HB1 ASP 86 5.756 7.792 -17.113 669 H SER 87 HN SER 87 5.791 4.622 -20.341 670 HA SER 87 HA SER 87 6.463 5.830 -22.722 671 1HB SER 87 HB2 SER 87 4.945 3.344 -21.998 672 2HB SER 87 HB1 SER 87 5.131 3.759 -23.700 673 HG SER 87 HG SER 87 6.841 2.437 -22.846 674 H GLU 88 HN GLU 88 5.392 6.983 -24.317 675 HA GLU 88 HA GLU 88 2.916 8.265 -23.791 676 1HB GLU 88 HB2 GLU 88 3.174 9.063 -26.061 677 2HB GLU 88 HB1 GLU 88 4.784 8.922 -25.358 678 1HG GLU 88 HG2 GLU 88 4.703 6.493 -26.379 679 2HG GLU 88 HG1 GLU 88 3.465 7.191 -27.425 680 H ASP 89 HN ASP 89 3.624 5.165 -25.257 681 HA ASP 89 HA ASP 89 1.529 4.485 -26.873 682 1HB ASP 89 HB2 ASP 89 3.447 3.149 -25.579 683 2HB ASP 89 HB1 ASP 89 2.096 2.686 -24.546 684 HA PRO 90 HA PRO 90 -1.859 5.718 -24.170 685 1HB PRO 90 HB2 PRO 90 -3.763 5.646 -26.138 686 2HB PRO 90 HB1 PRO 90 -2.665 7.022 -25.904 687 1HG PRO 90 HG2 PRO 90 -2.518 4.793 -27.875 688 2HG PRO 90 HG1 PRO 90 -2.155 6.514 -28.089 689 1HD PRO 90 HD2 PRO 90 -0.232 4.618 -27.762 690 2HD PRO 90 HD1 PRO 90 -0.031 6.307 -27.244 691 H ASP 91 HN ASP 91 -1.379 2.903 -26.122 692 HA ASP 91 HA ASP 91 -3.752 1.425 -25.604 693 1HB ASP 91 HB2 ASP 91 -0.855 0.723 -26.093 694 2HB ASP 91 HB1 ASP 91 -2.099 -0.520 -25.942 695 H GLU 92 HN GLU 92 -0.794 1.852 -23.660 696 HA GLU 92 HA GLU 92 -2.164 0.370 -21.432 697 1HB GLU 92 HB2 GLU 92 0.656 0.466 -22.456 698 2HB GLU 92 HB1 GLU 92 0.375 0.100 -20.753 699 1HG GLU 92 HG2 GLU 92 -0.556 -1.935 -21.208 700 2HG GLU 92 HG1 GLU 92 -1.349 -1.357 -22.673 701 HA PRO 93 HA PRO 93 -1.678 4.652 -19.879 702 1HB PRO 93 HB2 PRO 93 -3.956 4.596 -18.377 703 2HB PRO 93 HB1 PRO 93 -3.960 4.966 -20.114 704 1HG PRO 93 HG2 PRO 93 -4.642 2.433 -18.716 705 2HG PRO 93 HG1 PRO 93 -5.391 3.178 -20.137 706 1HD PRO 93 HD2 PRO 93 -3.642 1.079 -20.249 707 2HD PRO 93 HD1 PRO 93 -3.894 2.234 -21.574 708 H ALA 94 HN ALA 94 0.071 3.082 -18.783 709 HA ALA 94 HA ALA 94 -0.290 1.806 -16.304 710 1HB ALA 94 HB1 ALA 94 1.852 1.508 -17.007 711 2HB ALA 94 HB2 ALA 94 2.187 3.002 -16.131 712 3HB ALA 94 HB3 ALA 94 1.868 3.051 -17.864 713 H LYS 95 HN LYS 95 -0.389 5.199 -17.012 714 HA LYS 95 HA LYS 95 0.433 6.353 -14.576 715 1HB LYS 95 HB2 LYS 95 -1.723 7.158 -16.546 716 2HB LYS 95 HB1 LYS 95 -0.988 8.240 -15.357 717 1HG LYS 95 HG2 LYS 95 1.233 7.816 -16.347 718 2HG LYS 95 HG1 LYS 95 0.500 6.749 -17.546 719 1HD LYS 95 HD2 LYS 95 0.656 8.790 -18.694 720 2HD LYS 95 HD1 LYS 95 -1.007 8.794 -18.104 721 1HE LYS 95 HE2 LYS 95 -0.517 10.325 -16.365 722 2HE LYS 95 HE1 LYS 95 1.229 10.027 -16.484 723 1HZ LYS 95 HZ1 LYS 95 0.507 12.097 -17.620 724 2HZ LYS 95 HZ2 LYS 95 -0.423 11.150 -18.681 725 3HZ LYS 95 HZ3 LYS 95 1.268 10.989 -18.656 726 H GLU 96 HN GLU 96 -2.650 4.730 -15.301 727 HA GLU 96 HA GLU 96 -3.408 5.293 -12.452 728 1HB GLU 96 HB2 GLU 96 -5.262 5.190 -14.842 729 2HB GLU 96 HB1 GLU 96 -5.676 5.680 -13.197 730 1HG GLU 96 HG2 GLU 96 -3.797 7.456 -13.499 731 2HG GLU 96 HG1 GLU 96 -3.983 7.126 -15.225 732 H GLN 97 HN GLN 97 -2.849 3.199 -11.692 733 HA GLN 97 HA GLN 97 -4.814 1.170 -11.851 734 1HB GLN 97 HB2 GLN 97 -3.514 -0.494 -13.262 735 2HB GLN 97 HB1 GLN 97 -4.207 0.862 -14.149 736 1HG GLN 97 HG2 GLN 97 -1.960 2.024 -13.865 737 2HG GLN 97 HG1 GLN 97 -1.338 0.474 -13.309 738 1HE2 GLN 97 HE21 GLN 97 -0.206 -0.433 -15.023 739 2HE2 GLN 97 HE22 GLN 97 -0.775 -0.533 -16.618 740 H LEU 98 HN LEU 98 -3.270 -1.148 -11.510 741 HA LEU 98 HA LEU 98 -1.862 -2.302 -10.026 742 1HB LEU 98 HB2 LEU 98 -0.856 0.433 -9.267 743 2HB LEU 98 HB1 LEU 98 -0.021 -1.108 -9.116 744 HG LEU 98 HG LEU 98 -0.786 0.275 -11.681 745 1HD1 LEU 98 HD11 LEU 98 1.441 0.785 -11.917 746 2HD1 LEU 98 HD12 LEU 98 1.960 -0.582 -10.928 747 3HD1 LEU 98 HD13 LEU 98 1.287 0.859 -10.161 748 1HD2 LEU 98 HD21 LEU 98 -1.002 -2.281 -11.654 749 2HD2 LEU 98 HD22 LEU 98 0.739 -2.317 -11.377 750 3HD2 LEU 98 HD23 LEU 98 0.100 -1.612 -12.856 751 H TYR 99 HN TYR 99 -3.836 0.366 -9.056 752 HA TYR 99 HA TYR 99 -4.922 -1.021 -6.801 753 1HB TYR 99 HB2 TYR 99 -2.449 -0.244 -6.254 754 2HB TYR 99 HB1 TYR 99 -3.227 1.308 -5.971 755 HD1 TYR 99 HD1 TYR 99 -4.989 -1.901 -5.311 756 HD2 TYR 99 HD2 TYR 99 -2.738 1.320 -3.601 757 HE1 TYR 99 HE1 TYR 99 -5.632 -2.663 -3.052 758 HE2 TYR 99 HE2 TYR 99 -3.394 0.558 -1.326 759 HH TYR 99 HH TYR 99 -5.535 -0.912 -0.414 760 H HIS 100 HN HIS 100 -5.133 1.744 -5.375 761 HA HIS 100 HA HIS 100 -7.430 2.643 -7.015 762 1HB HIS 100 HB2 HIS 100 -7.810 4.092 -4.962 763 2HB HIS 100 HB1 HIS 100 -7.815 2.356 -4.659 764 HD2 HIS 100 HD2 HIS 100 -5.605 1.397 -3.130 765 HE1 HIS 100 HE1 HIS 100 -3.930 5.201 -2.360 766 HE2 HIS 100 HE2 HIS 100 -3.867 2.758 -1.779 767 H SER 101 HN SER 101 -7.696 5.105 -7.218 768 HA SER 101 HA SER 101 -5.493 6.197 -8.699 769 1HB SER 101 HB2 SER 101 -8.049 6.638 -8.767 770 2HB SER 101 HB1 SER 101 -7.753 7.767 -7.450 771 HG SER 101 HG SER 101 -7.430 8.174 -10.029 772 H ALA 102 HN ALA 102 -5.927 5.965 -5.343 773 HA ALA 102 HA ALA 102 -4.548 8.506 -4.712 774 1HB ALA 102 HB1 ALA 102 -4.839 6.831 -2.442 775 2HB ALA 102 HB2 ALA 102 -6.284 6.602 -3.428 776 3HB ALA 102 HB3 ALA 102 -5.834 8.216 -2.889 777 H GLU 103 HN GLU 103 -3.783 5.053 -4.937 778 HA GLU 103 HA GLU 103 -1.449 4.909 -3.391 779 1HB GLU 103 HB2 GLU 103 -1.252 2.879 -4.439 780 2HB GLU 103 HB1 GLU 103 -2.840 3.281 -5.080 781 1HG GLU 103 HG2 GLU 103 -0.316 4.094 -6.541 782 2HG GLU 103 HG1 GLU 103 -1.031 2.503 -6.758 783 H LEU 104 HN LEU 104 0.783 5.303 -3.880 784 HA LEU 104 HA LEU 104 1.201 7.382 -5.987 785 1HB LEU 104 HB2 LEU 104 2.348 6.732 -3.307 786 2HB LEU 104 HB1 LEU 104 3.425 7.485 -4.485 787 HG LEU 104 HG LEU 104 1.629 9.235 -4.845 788 1HD1 LEU 104 HD11 LEU 104 0.077 9.400 -2.776 789 2HD1 LEU 104 HD12 LEU 104 0.448 7.692 -2.544 790 3HD1 LEU 104 HD13 LEU 104 -0.337 8.230 -4.028 791 1HD2 LEU 104 HD21 LEU 104 3.684 9.322 -3.219 792 2HD2 LEU 104 HD22 LEU 104 2.459 9.205 -1.954 793 3HD2 LEU 104 HD23 LEU 104 2.432 10.558 -3.087 794 H HIS 105 HN HIS 105 3.023 7.130 -7.427 795 HA HIS 105 HA HIS 105 3.957 4.296 -7.675 796 1HB HIS 105 HB2 HIS 105 3.972 6.555 -9.690 797 2HB HIS 105 HB1 HIS 105 4.270 4.850 -10.017 798 HD1 HIS 105 HD1 HIS 105 1.979 6.168 -11.521 799 HD2 HIS 105 HD2 HIS 105 1.474 4.325 -7.814 800 HE1 HIS 105 HE1 HIS 105 -0.475 5.562 -11.349 801 H LEU 106 HN LEU 106 6.142 3.863 -7.534 802 HA LEU 106 HA LEU 106 7.998 6.215 -7.382 803 1HB LEU 106 HB2 LEU 106 7.494 5.214 -5.176 804 2HB LEU 106 HB1 LEU 106 8.032 3.641 -5.772 805 HG LEU 106 HG LEU 106 10.277 4.488 -6.138 806 1HD1 LEU 106 HD11 LEU 106 10.403 7.004 -5.024 807 2HD1 LEU 106 HD12 LEU 106 8.867 7.055 -5.887 808 3HD1 LEU 106 HD13 LEU 106 10.351 6.670 -6.755 809 1HD2 LEU 106 HD21 LEU 106 10.616 5.509 -3.681 810 2HD2 LEU 106 HD22 LEU 106 10.265 3.799 -3.931 811 3HD2 LEU 106 HD23 LEU 106 8.970 4.907 -3.485 812 H GLY 107 HN GLY 107 9.953 5.988 -8.478 813 1HA GLY 107 HA2 GLY 107 10.133 3.936 -10.508 814 2HA GLY 107 HA1 GLY 107 11.371 5.139 -10.152 815 H ILE 108 HN ILE 108 11.634 2.186 -10.615 816 HA ILE 108 HA ILE 108 12.168 0.749 -8.237 817 HB ILE 108 HB ILE 108 13.319 0.712 -11.038 818 1HG1 ILE 108 HG12 ILE 108 11.277 -1.106 -9.740 819 2HG1 ILE 108 HG11 ILE 108 10.839 0.314 -10.691 820 1HG2 ILE 108 HG21 ILE 108 13.809 -1.716 -10.369 821 2HG2 ILE 108 HG22 ILE 108 13.646 -1.150 -8.706 822 3HG2 ILE 108 HG23 ILE 108 14.891 -0.468 -9.753 823 1HD1 ILE 108 HD11 ILE 108 12.084 -2.259 -11.586 824 2HD1 ILE 108 HD12 ILE 108 12.498 -0.780 -12.456 825 3HD1 ILE 108 HD13 ILE 108 10.816 -1.303 -12.356 826 H HIS 109 HN HIS 109 14.281 2.857 -10.204 827 HA HIS 109 HA HIS 109 16.576 2.414 -8.416 828 1HB HIS 109 HB2 HIS 109 17.733 3.767 -10.045 829 2HB HIS 109 HB1 HIS 109 16.638 2.715 -10.938 830 HD1 HIS 109 HD1 HIS 109 17.553 6.189 -10.574 831 HD2 HIS 109 HD2 HIS 109 14.047 4.153 -11.544 832 HE1 HIS 109 HE1 HIS 109 16.031 7.876 -11.693 833 H GLN 110 HN GLN 110 13.835 4.093 -7.974 834 HA GLN 110 HA GLN 110 15.198 6.461 -6.772 835 1HB GLN 110 HB2 GLN 110 12.373 5.917 -7.718 836 2HB GLN 110 HB1 GLN 110 12.808 7.363 -6.805 837 1HG GLN 110 HG2 GLN 110 14.489 7.943 -8.519 838 2HG GLN 110 HG1 GLN 110 14.044 6.506 -9.439 839 1HE2 GLN 110 HE21 GLN 110 11.910 8.827 -7.721 840 2HE2 GLN 110 HE22 GLN 110 11.032 9.282 -9.100 841 H LEU 111 HN LEU 111 14.915 3.656 -5.653 842 HA LEU 111 HA LEU 111 12.949 3.708 -3.546 843 1HB LEU 111 HB2 LEU 111 15.450 2.163 -4.210 844 2HB LEU 111 HB1 LEU 111 14.667 1.913 -2.655 845 HG LEU 111 HG LEU 111 14.003 0.695 -5.121 846 1HD1 LEU 111 HD11 LEU 111 13.207 -0.729 -3.592 847 2HD1 LEU 111 HD12 LEU 111 11.898 0.391 -3.213 848 3HD1 LEU 111 HD13 LEU 111 13.429 0.499 -2.344 849 1HD2 LEU 111 HD21 LEU 111 11.691 2.413 -4.169 850 2HD2 LEU 111 HD22 LEU 111 11.729 1.339 -5.568 851 3HD2 LEU 111 HD23 LEU 111 12.679 2.824 -5.571 852 H GLU 112 HN GLU 112 13.050 5.526 -2.373 853 HA GLU 112 HA GLU 112 14.823 5.788 -0.165 854 1HB GLU 112 HB2 GLU 112 16.088 7.811 -1.016 855 2HB GLU 112 HB1 GLU 112 16.505 6.321 -1.868 856 1HG GLU 112 HG2 GLU 112 14.796 6.916 -3.602 857 2HG GLU 112 HG1 GLU 112 14.581 8.464 -2.791 858 H GLN 113 HN GLN 113 12.665 7.208 -2.520 859 HA GLN 113 HA GLN 113 11.818 9.438 -0.795 860 1HB GLN 113 HB2 GLN 113 11.012 8.284 -3.473 861 2HB GLN 113 HB1 GLN 113 10.178 9.662 -2.755 862 1HG GLN 113 HG2 GLN 113 12.159 10.994 -2.774 863 2HG GLN 113 HG1 GLN 113 13.175 9.601 -3.139 864 1HE2 GLN 113 HE21 GLN 113 13.924 9.915 -5.250 865 2HE2 GLN 113 HE22 GLN 113 12.944 10.343 -6.568 866 H LEU 114 HN LEU 114 11.210 6.165 -0.753 867 HA LEU 114 HA LEU 114 8.463 5.773 -0.632 868 1HB LEU 114 HB2 LEU 114 10.754 4.668 0.992 869 2HB LEU 114 HB1 LEU 114 9.113 4.022 1.108 870 HG LEU 114 HG LEU 114 9.753 4.332 -1.657 871 1HD1 LEU 114 HD11 LEU 114 11.830 2.880 0.002 872 2HD1 LEU 114 HD12 LEU 114 12.099 4.239 -1.090 873 3HD1 LEU 114 HD13 LEU 114 11.639 2.665 -1.739 874 1HD2 LEU 114 HD21 LEU 114 8.419 2.520 -1.525 875 2HD2 LEU 114 HD22 LEU 114 8.693 2.402 0.214 876 3HD2 LEU 114 HD23 LEU 114 9.793 1.603 -0.910 877 HA PRO 115 HA PRO 115 8.427 7.172 3.974 878 1HB PRO 115 HB2 PRO 115 10.349 9.004 4.686 879 2HB PRO 115 HB1 PRO 115 10.513 7.254 4.950 880 1HG PRO 115 HG2 PRO 115 11.617 8.946 2.750 881 2HG PRO 115 HG1 PRO 115 12.391 7.640 3.667 882 1HD PRO 115 HD2 PRO 115 11.429 7.247 1.201 883 2HD PRO 115 HD1 PRO 115 11.350 5.978 2.440 884 H TYR 116 HN TYR 116 10.037 9.815 2.114 885 HA TYR 116 HA TYR 116 8.092 11.791 2.767 886 1HB TYR 116 HB2 TYR 116 9.654 12.976 1.642 887 2HB TYR 116 HB1 TYR 116 10.441 11.467 1.202 888 HD1 TYR 116 HD1 TYR 116 7.411 13.451 0.170 889 HD2 TYR 116 HD2 TYR 116 10.792 11.100 -1.039 890 HE1 TYR 116 HE1 TYR 116 6.837 13.848 -2.214 891 HE2 TYR 116 HE2 TYR 116 10.218 11.489 -3.421 892 HH TYR 116 HH TYR 116 8.567 13.747 -4.567 893 H GLN 117 HN GLN 117 8.230 9.305 0.271 894 HA GLN 117 HA GLN 117 5.866 10.095 -1.194 895 1HB GLN 117 HB2 GLN 117 7.434 7.531 -0.829 896 2HB GLN 117 HB1 GLN 117 6.054 7.639 -1.916 897 1HG GLN 117 HG2 GLN 117 8.099 9.768 -2.207 898 2HG GLN 117 HG1 GLN 117 8.589 8.149 -2.705 899 1HE2 GLN 117 HE21 GLN 117 7.269 10.908 -3.969 900 2HE2 GLN 117 HE22 GLN 117 6.321 10.240 -5.209 901 H VAL 118 HN VAL 118 6.501 7.786 1.423 902 HA VAL 118 HA VAL 118 3.859 6.760 1.727 903 HB VAL 118 HB VAL 118 6.384 6.976 3.327 904 1HG1 VAL 118 HG11 VAL 118 3.669 6.314 4.463 905 2HG1 VAL 118 HG12 VAL 118 4.922 7.350 5.145 906 3HG1 VAL 118 HG13 VAL 118 5.134 5.602 5.132 907 1HG2 VAL 118 HG21 VAL 118 4.566 4.743 2.382 908 2HG2 VAL 118 HG22 VAL 118 5.991 4.476 3.389 909 3HG2 VAL 118 HG23 VAL 118 6.169 5.148 1.767 910 H ASP 119 HN ASP 119 5.505 9.485 3.411 911 HA ASP 119 HA ASP 119 3.237 10.221 5.007 912 1HB ASP 119 HB2 ASP 119 5.615 11.741 3.879 913 2HB ASP 119 HB1 ASP 119 4.488 12.448 5.039 914 H ALA 120 HN ALA 120 4.310 11.129 1.741 915 HA ALA 120 HA ALA 120 2.173 13.029 1.239 916 1HB ALA 120 HB1 ALA 120 3.089 13.034 -0.972 917 2HB ALA 120 HB2 ALA 120 3.718 11.396 -0.790 918 3HB ALA 120 HB3 ALA 120 4.467 12.732 0.086 919 H ALA 121 HN ALA 121 2.653 9.559 0.738 920 HA ALA 121 HA ALA 121 0.290 9.077 -0.842 921 1HB ALA 121 HB1 ALA 121 2.462 7.661 -0.244 922 2HB ALA 121 HB2 ALA 121 0.941 6.839 -0.584 923 3HB ALA 121 HB3 ALA 121 1.457 7.085 1.084 924 H LEU 122 HN LEU 122 1.002 8.998 2.640 925 HA LEU 122 HA LEU 122 -1.509 8.040 3.569 926 1HB LEU 122 HB2 LEU 122 0.608 9.907 4.674 927 2HB LEU 122 HB1 LEU 122 -0.769 9.381 5.642 928 HG LEU 122 HG LEU 122 0.894 7.321 4.221 929 1HD1 LEU 122 HD11 LEU 122 2.632 8.503 5.333 930 2HD1 LEU 122 HD12 LEU 122 2.210 7.191 6.431 931 3HD1 LEU 122 HD13 LEU 122 1.621 8.824 6.742 932 1HD2 LEU 122 HD21 LEU 122 -0.592 7.389 6.867 933 2HD2 LEU 122 HD22 LEU 122 0.188 5.972 6.162 934 3HD2 LEU 122 HD23 LEU 122 -1.211 6.697 5.368 935 H ALA 123 HN ALA 123 -0.368 11.373 2.988 936 HA ALA 123 HA ALA 123 -2.884 12.635 3.652 937 1HB ALA 123 HB1 ALA 123 -0.606 13.695 3.595 938 2HB ALA 123 HB2 ALA 123 -1.801 14.586 2.652 939 3HB ALA 123 HB3 ALA 123 -0.628 13.550 1.836 940 H GLU 124 HN GLU 124 -1.325 11.717 0.567 941 HA GLU 124 HA GLU 124 -3.399 12.593 -1.175 942 1HB GLU 124 HB2 GLU 124 -1.164 12.014 -1.934 943 2HB GLU 124 HB1 GLU 124 -1.352 10.355 -1.361 944 1HG GLU 124 HG2 GLU 124 -2.559 9.738 -3.189 945 2HG GLU 124 HG1 GLU 124 -3.466 11.250 -3.220 946 H PHE 125 HN PHE 125 -2.957 9.483 0.565 947 HA PHE 125 HA PHE 125 -5.237 8.192 -0.687 948 1HB PHE 125 HB2 PHE 125 -3.498 6.875 0.342 949 2HB PHE 125 HB1 PHE 125 -3.660 7.750 1.865 950 HD1 PHE 125 HD1 PHE 125 -5.592 5.565 -0.497 951 HD2 PHE 125 HD2 PHE 125 -5.116 6.974 3.534 952 HE1 PHE 125 HE1 PHE 125 -7.302 3.941 0.276 953 HE2 PHE 125 HE2 PHE 125 -6.825 5.351 4.305 954 HZ PHE 125 HZ PHE 125 -7.918 3.835 2.676 955 H LEU 126 HN LEU 126 -4.746 10.024 2.327 956 HA LEU 126 HA LEU 126 -7.360 9.657 3.420 957 1HB LEU 126 HB2 LEU 126 -5.150 11.686 3.697 958 2HB LEU 126 HB1 LEU 126 -6.643 11.837 4.622 959 HG LEU 126 HG LEU 126 -4.793 9.434 4.628 960 1HD1 LEU 126 HD11 LEU 126 -4.966 10.366 7.197 961 2HD1 LEU 126 HD12 LEU 126 -5.034 11.870 6.281 962 3HD1 LEU 126 HD13 LEU 126 -3.665 10.777 6.082 963 1HD2 LEU 126 HD21 LEU 126 -7.431 10.029 5.996 964 2HD2 LEU 126 HD22 LEU 126 -6.323 8.784 6.575 965 3HD2 LEU 126 HD23 LEU 126 -7.033 8.653 4.967 966 H ARG 127 HN ARG 127 -6.045 12.439 1.523 967 HA ARG 127 HA ARG 127 -8.463 13.935 1.437 968 1HB ARG 127 HB2 ARG 127 -6.198 13.628 -0.561 969 2HB ARG 127 HB1 ARG 127 -7.409 14.906 -0.632 970 1HG ARG 127 HG2 ARG 127 -6.700 15.774 1.522 971 2HG ARG 127 HG1 ARG 127 -5.584 14.423 1.741 972 1HD ARG 127 HD2 ARG 127 -4.292 15.146 -0.230 973 2HD ARG 127 HD1 ARG 127 -5.428 16.483 -0.482 974 HE ARG 127 HE ARG 127 -4.119 16.289 2.178 975 1HH1 ARG 127 HH11 ARG 127 -4.359 17.808 -0.939 976 2HH1 ARG 127 HH12 ARG 127 -3.581 19.261 -0.417 977 1HH2 ARG 127 HH21 ARG 127 -3.061 18.173 2.821 978 2HH2 ARG 127 HH22 ARG 127 -2.839 19.463 1.687 979 H LEU 128 HN LEU 128 -7.178 11.546 -0.899 980 HA LEU 128 HA LEU 128 -9.541 11.560 -2.578 981 1HB LEU 128 HB2 LEU 128 -7.107 10.917 -3.102 982 2HB LEU 128 HB1 LEU 128 -7.483 9.376 -2.332 983 HG LEU 128 HG LEU 128 -9.296 8.976 -3.912 984 1HD1 LEU 128 HD11 LEU 128 -10.225 11.091 -4.362 985 2HD1 LEU 128 HD12 LEU 128 -9.424 10.681 -5.879 986 3HD1 LEU 128 HD13 LEU 128 -8.656 11.800 -4.750 987 1HD2 LEU 128 HD21 LEU 128 -6.586 9.706 -4.976 988 2HD2 LEU 128 HD22 LEU 128 -7.853 9.251 -6.115 989 3HD2 LEU 128 HD23 LEU 128 -7.349 8.119 -4.860 990 H ALA 129 HN ALA 129 -8.535 9.748 0.268 991 HA ALA 129 HA ALA 129 -10.337 7.553 0.045 992 1HB ALA 129 HB1 ALA 129 -10.064 7.551 2.575 993 2HB ALA 129 HB2 ALA 129 -9.146 9.046 2.395 994 3HB ALA 129 HB3 ALA 129 -8.558 7.554 1.663 995 HA PRO 130 HA PRO 130 -11.774 6.374 0.682 996 1HB PRO 130 HB2 PRO 130 -14.168 5.735 -0.471 997 2HB PRO 130 HB1 PRO 130 -13.936 5.793 1.287 998 1HG PRO 130 HG2 PRO 130 -15.185 7.794 -0.520 999 2HG PRO 130 HG1 PRO 130 -15.647 7.311 1.118 1000 1HD PRO 130 HD2 PRO 130 -14.281 9.605 0.542 1001 2HD PRO 130 HD1 PRO 130 -14.181 8.757 2.099 1002 H VAL 131 HN VAL 131 -10.511 6.019 -1.128 1003 HA VAL 131 HA VAL 131 -10.887 7.534 -3.600 1004 HB VAL 131 HB VAL 131 -8.914 6.210 -4.297 1005 1HG1 VAL 131 HG11 VAL 131 -7.868 6.637 -1.698 1006 2HG1 VAL 131 HG12 VAL 131 -9.111 7.854 -1.955 1007 3HG1 VAL 131 HG13 VAL 131 -7.770 7.718 -3.089 1008 1HG2 VAL 131 HG21 VAL 131 -9.055 4.058 -3.527 1009 2HG2 VAL 131 HG22 VAL 131 -9.843 4.535 -2.025 1010 3HG2 VAL 131 HG23 VAL 131 -8.097 4.718 -2.202 1011 H GLU 132 HN GLU 132 -11.198 6.430 -5.723 1012 HA GLU 132 HA GLU 132 -13.272 4.323 -5.546 1013 1HB GLU 132 HB2 GLU 132 -12.252 6.325 -7.510 1014 2HB GLU 132 HB1 GLU 132 -12.990 4.870 -8.178 1015 1HG GLU 132 HG2 GLU 132 -14.605 5.848 -6.000 1016 2HG GLU 132 HG1 GLU 132 -14.312 7.155 -7.148 1017 H THR 133 HN THR 133 -12.342 2.261 -5.322 1018 HA THR 133 HA THR 133 -9.824 1.631 -6.736 1019 HB THR 133 HB THR 133 -10.566 -0.676 -5.587 1020 HG1 THR 133 HG1 THR 133 -12.602 0.064 -4.991 1021 1HG2 THR 133 HG21 THR 133 -9.476 0.177 -3.496 1022 2HG2 THR 133 HG22 THR 133 -9.554 1.804 -4.178 1023 3HG2 THR 133 HG23 THR 133 -8.582 0.562 -4.968 1024 H MET 134 HN MET 134 -9.782 0.707 -8.723 1025 HA MET 134 HA MET 134 -12.054 0.306 -10.359 1026 1HB MET 134 HB2 MET 134 -9.278 -0.922 -10.459 1027 2HB MET 134 HB1 MET 134 -10.397 -0.835 -11.820 1028 1HG MET 134 HG2 MET 134 -10.398 1.629 -11.667 1029 2HG MET 134 HG1 MET 134 -9.282 1.545 -10.304 1030 1HE MET 134 HE1 MET 134 -9.741 1.942 -13.925 1031 2HE MET 134 HE2 MET 134 -9.808 0.181 -13.950 1032 3HE MET 134 HE3 MET 134 -8.476 1.018 -14.743 1033 H ALA 135 HN ALA 135 -10.252 -2.052 -8.364 1034 HA ALA 135 HA ALA 135 -11.626 -4.395 -9.291 1035 1HB ALA 135 HB1 ALA 135 -9.605 -4.685 -8.112 1036 2HB ALA 135 HB2 ALA 135 -10.824 -5.192 -6.946 1037 3HB ALA 135 HB3 ALA 135 -10.097 -3.591 -6.823 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -0.287 11.480 18.477 2 2H MET 1 HT2 MET 1 0.769 12.121 19.643 3 3H MET 1 HT3 MET 1 0.969 10.524 19.097 4 HA MET 1 HA MET 1 1.263 12.925 17.360 5 1HB MET 1 HB2 MET 1 3.226 11.205 18.912 6 2HB MET 1 HB1 MET 1 3.719 12.301 17.624 7 1HG MET 1 HG2 MET 1 2.764 14.204 18.837 8 2HG MET 1 HG1 MET 1 2.214 13.128 20.121 9 1HE MET 1 HE1 MET 1 3.406 15.294 21.024 10 2HE MET 1 HE2 MET 1 4.787 15.786 20.046 11 3HE MET 1 HE3 MET 1 5.044 15.196 21.686 12 H LEU 2 HN LEU 2 3.444 11.523 16.010 13 HA LEU 2 HA LEU 2 1.926 9.970 14.099 14 1HB LEU 2 HB2 LEU 2 4.820 10.647 14.606 15 2HB LEU 2 HB1 LEU 2 4.367 9.549 13.303 16 HG LEU 2 HG LEU 2 2.690 11.385 12.598 17 1HD1 LEU 2 HD11 LEU 2 2.621 12.951 14.303 18 2HD1 LEU 2 HD12 LEU 2 3.855 13.682 13.276 19 3HD1 LEU 2 HD13 LEU 2 4.329 12.751 14.697 20 1HD2 LEU 2 HD21 LEU 2 4.803 12.766 11.689 21 2HD2 LEU 2 HD22 LEU 2 4.399 11.166 11.068 22 3HD2 LEU 2 HD23 LEU 2 5.658 11.346 12.292 23 H SER 3 HN SER 3 3.386 9.142 17.098 24 HA SER 3 HA SER 3 4.033 7.046 18.038 25 1HB SER 3 HB2 SER 3 1.407 6.871 16.632 26 2HB SER 3 HB1 SER 3 2.095 5.359 17.215 27 HG SER 3 HG SER 3 0.788 7.144 18.602 28 H GLN 4 HN GLN 4 2.603 5.244 15.441 29 HA GLN 4 HA GLN 4 5.195 4.860 14.055 30 1HB GLN 4 HB2 GLN 4 3.629 2.662 15.438 31 2HB GLN 4 HB1 GLN 4 5.064 2.416 14.440 32 1HG GLN 4 HG2 GLN 4 6.206 4.111 16.049 33 2HG GLN 4 HG1 GLN 4 4.854 3.762 17.128 34 1HE2 GLN 4 HE21 GLN 4 7.955 2.696 16.229 35 2HE2 GLN 4 HE22 GLN 4 7.880 1.138 16.898 36 H ILE 5 HN ILE 5 4.917 3.922 11.949 37 HA ILE 5 HA ILE 5 2.087 3.989 10.967 38 HB ILE 5 HB ILE 5 4.763 4.237 9.554 39 1HG1 ILE 5 HG12 ILE 5 2.678 6.390 9.977 40 2HG1 ILE 5 HG11 ILE 5 4.018 6.145 11.099 41 1HG2 ILE 5 HG21 ILE 5 3.515 4.748 7.571 42 2HG2 ILE 5 HG22 ILE 5 1.997 4.800 8.467 43 3HG2 ILE 5 HG23 ILE 5 2.828 3.263 8.230 44 1HD1 ILE 5 HD11 ILE 5 4.032 7.292 8.378 45 2HD1 ILE 5 HD12 ILE 5 5.326 6.134 8.694 46 3HD1 ILE 5 HD13 ILE 5 5.148 7.557 9.717 47 H ALA 6 HN ALA 6 1.208 2.060 10.173 48 HA ALA 6 HA ALA 6 2.946 -0.326 10.170 49 1HB ALA 6 HB1 ALA 6 0.972 -1.462 10.469 50 2HB ALA 6 HB2 ALA 6 0.099 -0.427 9.341 51 3HB ALA 6 HB3 ALA 6 0.409 0.128 10.986 52 H ILE 7 HN ILE 7 4.109 -0.561 8.309 53 HA ILE 7 HA ILE 7 2.691 0.017 5.733 54 HB ILE 7 HB ILE 7 5.641 0.173 6.436 55 1HG1 ILE 7 HG12 ILE 7 3.471 2.263 6.138 56 2HG1 ILE 7 HG11 ILE 7 4.462 1.945 7.557 57 1HG2 ILE 7 HG21 ILE 7 4.068 0.831 3.930 58 2HG2 ILE 7 HG22 ILE 7 5.398 -0.317 4.092 59 3HG2 ILE 7 HG23 ILE 7 5.708 1.414 4.219 60 1HD1 ILE 7 HD11 ILE 7 6.480 2.508 6.041 61 2HD1 ILE 7 HD12 ILE 7 5.465 3.848 6.570 62 3HD1 ILE 7 HD13 ILE 7 5.289 3.202 4.940 63 H CYS 8 HN CYS 8 2.201 -1.858 4.709 64 HA CYS 8 HA CYS 8 3.939 -4.240 5.147 65 1HB CYS 8 HB2 CYS 8 1.407 -4.186 5.570 66 2HB CYS 8 HB1 CYS 8 1.225 -4.085 3.819 67 HG CYS 8 HG CYS 8 3.000 -6.421 4.683 68 H ILE 9 HN ILE 9 5.259 -4.882 3.503 69 HA ILE 9 HA ILE 9 4.764 -3.676 0.799 70 HB ILE 9 HB ILE 9 6.806 -2.938 1.919 71 1HG1 ILE 9 HG12 ILE 9 7.464 -5.033 -0.172 72 2HG1 ILE 9 HG11 ILE 9 6.877 -3.416 -0.550 73 1HG2 ILE 9 HG21 ILE 9 7.798 -4.343 3.357 74 2HG2 ILE 9 HG22 ILE 9 8.330 -5.315 1.986 75 3HG2 ILE 9 HG23 ILE 9 6.796 -5.674 2.780 76 1HD1 ILE 9 HD11 ILE 9 9.026 -2.735 -0.516 77 2HD1 ILE 9 HD12 ILE 9 9.565 -4.276 0.151 78 3HD1 ILE 9 HD13 ILE 9 9.000 -2.996 1.227 79 H TRP 10 HN TRP 10 4.854 -5.024 -0.990 80 HA TRP 10 HA TRP 10 5.187 -7.944 -0.404 81 1HB TRP 10 HB2 TRP 10 2.908 -7.454 -1.079 82 2HB TRP 10 HB1 TRP 10 3.486 -6.523 -2.467 83 HD1 TRP 10 HD1 TRP 10 5.525 -9.557 -1.751 84 HE1 TRP 10 HE1 TRP 10 5.060 -11.381 -3.507 85 HE3 TRP 10 HE3 TRP 10 1.392 -7.575 -3.998 86 HZ2 TRP 10 HZ2 TRP 10 3.175 -11.937 -5.573 87 HZ3 TRP 10 HZ3 TRP 10 0.290 -8.774 -5.853 88 HH2 TRP 10 HH2 TRP 10 1.165 -10.952 -6.645 89 H VAL 11 HN VAL 11 7.283 -8.331 -1.035 90 HA VAL 11 HA VAL 11 7.966 -7.826 -3.871 91 HB VAL 11 HB VAL 11 8.606 -5.785 -2.748 92 1HG1 VAL 11 HG11 VAL 11 8.525 -6.516 -0.466 93 2HG1 VAL 11 HG12 VAL 11 10.152 -5.913 -0.768 94 3HG1 VAL 11 HG13 VAL 11 9.851 -7.648 -0.722 95 1HG2 VAL 11 HG21 VAL 11 11.219 -6.116 -2.749 96 2HG2 VAL 11 HG22 VAL 11 10.320 -6.257 -4.260 97 3HG2 VAL 11 HG23 VAL 11 10.823 -7.711 -3.395 98 H GLU 12 HN GLU 12 9.175 -9.548 -4.616 99 HA GLU 12 HA GLU 12 9.880 -11.671 -2.701 100 1HB GLU 12 HB2 GLU 12 9.656 -11.319 -5.672 101 2HB GLU 12 HB1 GLU 12 10.463 -12.745 -5.021 102 1HG GLU 12 HG2 GLU 12 8.460 -13.284 -3.700 103 2HG GLU 12 HG1 GLU 12 7.660 -11.835 -4.305 104 H SER 13 HN SER 13 11.542 -9.132 -4.414 105 HA SER 13 HA SER 13 14.173 -10.477 -4.226 106 1HB SER 13 HB2 SER 13 13.154 -8.766 -6.005 107 2HB SER 13 HB1 SER 13 13.777 -7.576 -4.869 108 HG SER 13 HG SER 13 15.814 -8.511 -5.076 109 H THR 14 HN THR 14 15.449 -10.260 -2.400 110 HA THR 14 HA THR 14 14.586 -8.892 -0.053 111 HB THR 14 HB THR 14 17.489 -9.393 -0.621 112 HG1 THR 14 HG1 THR 14 17.073 -11.335 -1.250 113 1HG2 THR 14 HG21 THR 14 17.005 -8.788 1.618 114 2HG2 THR 14 HG22 THR 14 17.164 -10.545 1.657 115 3HG2 THR 14 HG23 THR 14 15.565 -9.803 1.663 116 H ALA 15 HN ALA 15 17.074 -7.959 -2.466 117 HA ALA 15 HA ALA 15 17.943 -5.547 -1.342 118 1HB ALA 15 HB1 ALA 15 17.507 -6.547 -4.148 119 2HB ALA 15 HB2 ALA 15 19.026 -6.305 -3.289 120 3HB ALA 15 HB3 ALA 15 18.116 -4.915 -3.884 121 H ILE 16 HN ILE 16 15.139 -5.978 -3.560 122 HA ILE 16 HA ILE 16 14.260 -3.241 -3.453 123 HB ILE 16 HB ILE 16 12.818 -5.883 -3.887 124 1HG1 ILE 16 HG12 ILE 16 13.616 -3.838 -5.959 125 2HG1 ILE 16 HG11 ILE 16 14.740 -5.093 -5.435 126 1HG2 ILE 16 HG21 ILE 16 11.912 -3.068 -4.566 127 2HG2 ILE 16 HG22 ILE 16 11.277 -4.035 -3.235 128 3HG2 ILE 16 HG23 ILE 16 11.030 -4.559 -4.902 129 1HD1 ILE 16 HD11 ILE 16 12.819 -5.369 -7.421 130 2HD1 ILE 16 HD12 ILE 16 12.077 -6.149 -6.023 131 3HD1 ILE 16 HD13 ILE 16 13.651 -6.693 -6.604 132 H LEU 17 HN LEU 17 13.217 -6.143 -1.638 133 HA LEU 17 HA LEU 17 11.358 -4.902 0.104 134 1HB LEU 17 HB2 LEU 17 11.439 -7.255 0.096 135 2HB LEU 17 HB1 LEU 17 13.196 -7.287 0.168 136 HG LEU 17 HG LEU 17 11.859 -7.942 2.298 137 1HD1 LEU 17 HD11 LEU 17 13.878 -7.683 3.250 138 2HD1 LEU 17 HD12 LEU 17 13.700 -5.926 3.249 139 3HD1 LEU 17 HD13 LEU 17 14.357 -6.747 1.835 140 1HD2 LEU 17 HD21 LEU 17 10.612 -6.367 3.324 141 2HD2 LEU 17 HD22 LEU 17 10.819 -5.360 1.892 142 3HD2 LEU 17 HD23 LEU 17 11.934 -5.203 3.250 143 H GLN 18 HN GLN 18 14.885 -5.322 0.388 144 HA GLN 18 HA GLN 18 15.091 -3.983 2.949 145 1HB GLN 18 HB2 GLN 18 17.028 -4.601 0.692 146 2HB GLN 18 HB1 GLN 18 17.535 -3.932 2.238 147 1HG GLN 18 HG2 GLN 18 16.533 -5.897 3.389 148 2HG GLN 18 HG1 GLN 18 16.127 -6.578 1.814 149 1HE2 GLN 18 HE21 GLN 18 18.023 -7.699 3.820 150 2HE2 GLN 18 HE22 GLN 18 19.521 -7.801 3.032 151 H ASP 19 HN ASP 19 15.694 -2.986 -0.428 152 HA ASP 19 HA ASP 19 16.438 -0.292 0.116 153 1HB ASP 19 HB2 ASP 19 15.120 -1.681 -2.234 154 2HB ASP 19 HB1 ASP 19 15.685 -0.012 -2.304 155 H CYS 20 HN CYS 20 13.223 -1.723 -0.570 156 HA CYS 20 HA CYS 20 11.783 0.767 -0.487 157 1HB CYS 20 HB2 CYS 20 11.106 -2.151 -0.104 158 2HB CYS 20 HB1 CYS 20 9.869 -0.904 0.050 159 HG CYS 20 HG CYS 20 10.778 -0.167 -2.475 160 H GLN 21 HN GLN 21 12.519 -1.696 1.997 161 HA GLN 21 HA GLN 21 11.094 -0.277 4.104 162 1HB GLN 21 HB2 GLN 21 13.133 -2.516 4.001 163 2HB GLN 21 HB1 GLN 21 12.374 -1.978 5.497 164 1HG GLN 21 HG2 GLN 21 10.131 -2.341 4.257 165 2HG GLN 21 HG1 GLN 21 11.083 -3.277 3.105 166 1HE2 GLN 21 HE21 GLN 21 12.943 -3.993 5.512 167 2HE2 GLN 21 HE22 GLN 21 12.105 -5.255 6.281 168 H ARG 22 HN ARG 22 14.485 -0.562 3.053 169 HA ARG 22 HA ARG 22 15.855 0.727 5.106 170 1HB ARG 22 HB2 ARG 22 16.045 0.657 2.109 171 2HB ARG 22 HB1 ARG 22 17.158 1.685 3.012 172 1HG ARG 22 HG2 ARG 22 18.047 -0.159 4.225 173 2HG ARG 22 HG1 ARG 22 16.733 -1.219 3.718 174 1HD ARG 22 HD2 ARG 22 17.767 -1.724 1.751 175 2HD ARG 22 HD1 ARG 22 18.225 -0.032 1.470 176 HE ARG 22 HE ARG 22 20.304 -0.534 2.450 177 1HH1 ARG 22 HH11 ARG 22 17.837 -2.691 3.555 178 2HH1 ARG 22 HH12 ARG 22 18.908 -3.609 4.553 179 1HH2 ARG 22 HH21 ARG 22 21.707 -1.735 3.759 180 2HH2 ARG 22 HH22 ARG 22 21.088 -3.072 4.671 181 H ALA 23 HN ALA 23 14.343 2.327 2.286 182 HA ALA 23 HA ALA 23 14.735 4.999 3.180 183 1HB ALA 23 HB1 ALA 23 12.402 3.888 1.591 184 2HB ALA 23 HB2 ALA 23 14.012 4.095 0.908 185 3HB ALA 23 HB3 ALA 23 13.107 5.498 1.465 186 H LEU 24 HN LEU 24 11.918 2.796 3.568 187 HA LEU 24 HA LEU 24 10.567 4.615 5.424 188 1HB LEU 24 HB2 LEU 24 10.104 1.714 4.653 189 2HB LEU 24 HB1 LEU 24 8.936 2.773 5.445 190 HG LEU 24 HG LEU 24 10.131 3.139 2.691 191 1HD1 LEU 24 HD11 LEU 24 8.205 1.503 3.066 192 2HD1 LEU 24 HD12 LEU 24 7.928 2.773 1.875 193 3HD1 LEU 24 HD13 LEU 24 7.231 2.909 3.493 194 1HD2 LEU 24 HD21 LEU 24 9.921 5.326 3.273 195 2HD2 LEU 24 HD22 LEU 24 8.791 4.988 4.573 196 3HD2 LEU 24 HD23 LEU 24 8.222 5.040 2.905 197 H SER 25 HN SER 25 12.856 4.452 6.681 198 HA SER 25 HA SER 25 12.743 2.168 8.613 199 1HB SER 25 HB2 SER 25 14.927 2.111 7.990 200 2HB SER 25 HB1 SER 25 14.812 3.687 7.210 201 HG SER 25 HG SER 25 15.783 4.472 8.889 202 H ALA 26 HN ALA 26 11.632 5.258 8.393 203 HA ALA 26 HA ALA 26 12.498 6.773 10.539 204 1HB ALA 26 HB1 ALA 26 10.718 7.919 9.759 205 2HB ALA 26 HB2 ALA 26 9.650 6.786 10.583 206 3HB ALA 26 HB3 ALA 26 10.144 6.480 8.919 207 H ASP 27 HN ASP 27 12.328 6.667 12.766 208 HA ASP 27 HA ASP 27 12.118 4.279 14.167 209 1HB ASP 27 HB2 ASP 27 12.806 6.700 14.832 210 2HB ASP 27 HB1 ASP 27 11.111 6.896 15.273 211 H ARG 28 HN ARG 28 9.506 6.189 12.857 212 HA ARG 28 HA ARG 28 7.513 4.650 14.462 213 1HB ARG 28 HB2 ARG 28 6.011 6.452 13.851 214 2HB ARG 28 HB1 ARG 28 7.534 7.168 14.365 215 1HG ARG 28 HG2 ARG 28 7.979 6.813 11.687 216 2HG ARG 28 HG1 ARG 28 6.253 7.183 11.717 217 1HD ARG 28 HD2 ARG 28 6.596 9.280 12.751 218 2HD ARG 28 HD1 ARG 28 8.225 8.836 13.292 219 HE ARG 28 HE ARG 28 9.045 9.239 11.097 220 1HH1 ARG 28 HH11 ARG 28 5.582 9.300 11.239 221 2HH1 ARG 28 HH12 ARG 28 5.412 10.004 9.665 222 1HH2 ARG 28 HH21 ARG 28 8.812 10.138 9.043 223 2HH2 ARG 28 HH22 ARG 28 7.226 10.462 8.425 224 H TYR 29 HN TYR 29 8.829 3.181 12.407 225 HA TYR 29 HA TYR 29 6.649 2.918 10.366 226 1HB TYR 29 HB2 TYR 29 9.613 3.043 10.239 227 2HB TYR 29 HB1 TYR 29 8.843 1.863 9.176 228 HD1 TYR 29 HD1 TYR 29 8.456 5.418 10.279 229 HD2 TYR 29 HD2 TYR 29 8.069 2.567 7.097 230 HE1 TYR 29 HE1 TYR 29 7.819 7.237 8.735 231 HE2 TYR 29 HE2 TYR 29 7.418 4.382 5.553 232 HH TYR 29 HH TYR 29 7.289 7.778 6.653 233 H GLN 30 HN GLN 30 5.666 0.951 10.406 234 HA GLN 30 HA GLN 30 7.082 -1.313 11.789 235 1HB GLN 30 HB2 GLN 30 4.769 -0.379 12.546 236 2HB GLN 30 HB1 GLN 30 4.148 -1.185 11.109 237 1HG GLN 30 HG2 GLN 30 4.206 -3.183 12.134 238 2HG GLN 30 HG1 GLN 30 5.917 -2.971 12.508 239 1HE2 GLN 30 HE21 GLN 30 3.028 -1.141 13.661 240 2HE2 GLN 30 HE22 GLN 30 3.337 -1.408 15.308 241 H LEU 31 HN LEU 31 8.296 -1.775 9.833 242 HA LEU 31 HA LEU 31 7.081 -2.224 7.280 243 1HB LEU 31 HB2 LEU 31 9.669 -2.908 8.660 244 2HB LEU 31 HB1 LEU 31 9.361 -3.470 7.019 245 HG LEU 31 HG LEU 31 10.580 -1.275 7.136 246 1HD1 LEU 31 HD11 LEU 31 9.628 -0.728 5.158 247 2HD1 LEU 31 HD12 LEU 31 8.039 -0.505 5.888 248 3HD1 LEU 31 HD13 LEU 31 8.586 -2.120 5.438 249 1HD2 LEU 31 HD21 LEU 31 9.347 0.719 7.793 250 2HD2 LEU 31 HD22 LEU 31 9.350 -0.419 9.139 251 3HD2 LEU 31 HD23 LEU 31 7.910 -0.245 8.133 252 H GLN 32 HN GLN 32 6.177 -4.030 6.413 253 HA GLN 32 HA GLN 32 6.362 -6.618 7.914 254 1HB GLN 32 HB2 GLN 32 4.185 -5.552 8.302 255 2HB GLN 32 HB1 GLN 32 3.964 -5.317 6.571 256 1HG GLN 32 HG2 GLN 32 2.711 -7.275 7.158 257 2HG GLN 32 HG1 GLN 32 4.156 -7.832 6.314 258 1HE2 GLN 32 HE21 GLN 32 5.487 -9.290 7.421 259 2HE2 GLN 32 HE22 GLN 32 5.338 -9.664 9.069 260 H VAL 33 HN VAL 33 7.208 -8.183 6.560 261 HA VAL 33 HA VAL 33 7.280 -7.575 3.641 262 HB VAL 33 HB VAL 33 8.818 -9.645 5.220 263 1HG1 VAL 33 HG11 VAL 33 10.232 -9.750 3.358 264 2HG1 VAL 33 HG12 VAL 33 9.736 -8.163 2.771 265 3HG1 VAL 33 HG13 VAL 33 8.651 -9.542 2.605 266 1HG2 VAL 33 HG21 VAL 33 9.053 -6.696 5.128 267 2HG2 VAL 33 HG22 VAL 33 10.555 -7.567 4.824 268 3HG2 VAL 33 HG23 VAL 33 9.667 -7.839 6.324 269 H CYS 34 HN CYS 34 6.234 -8.836 2.190 270 HA CYS 34 HA CYS 34 5.107 -11.467 3.105 271 1HB CYS 34 HB2 CYS 34 3.966 -9.125 1.621 272 2HB CYS 34 HB1 CYS 34 3.391 -10.735 1.188 273 HG CYS 34 HG CYS 34 3.118 -9.501 4.047 274 H GLU 35 HN GLU 35 6.224 -13.052 2.008 275 HA GLU 35 HA GLU 35 7.843 -12.563 -0.312 276 1HB GLU 35 HB2 GLU 35 6.733 -15.061 0.994 277 2HB GLU 35 HB1 GLU 35 7.931 -15.092 -0.300 278 1HG GLU 35 HG2 GLU 35 9.464 -13.741 1.062 279 2HG GLU 35 HG1 GLU 35 8.270 -13.674 2.356 280 H SER 36 HN SER 36 4.467 -13.530 0.060 281 HA SER 36 HA SER 36 4.325 -13.900 -2.920 282 1HB SER 36 HB2 SER 36 2.955 -15.690 -2.511 283 2HB SER 36 HB1 SER 36 3.755 -15.666 -0.941 284 HG SER 36 HG SER 36 1.485 -15.671 -0.734 285 H GLY 37 HN GLY 37 1.641 -13.682 -3.332 286 1HA GLY 37 HA2 GLY 37 1.080 -10.850 -2.581 287 2HA GLY 37 HA1 GLY 37 0.399 -11.683 -3.989 288 H GLU 38 HN GLU 38 0.027 -14.135 -2.422 289 HA GLU 38 HA GLU 38 -2.666 -13.683 -1.464 290 1HB GLU 38 HB2 GLU 38 -0.650 -15.883 -1.714 291 2HB GLU 38 HB1 GLU 38 -1.994 -16.144 -0.614 292 1HG GLU 38 HG2 GLU 38 -2.331 -15.277 -3.496 293 2HG GLU 38 HG1 GLU 38 -2.420 -16.957 -2.961 294 H MET 39 HN MET 39 0.523 -14.184 -0.062 295 HA MET 39 HA MET 39 -0.180 -14.351 2.682 296 1HB MET 39 HB2 MET 39 2.231 -13.425 1.110 297 2HB MET 39 HB1 MET 39 2.252 -13.472 2.872 298 1HG MET 39 HG2 MET 39 1.804 -15.849 2.881 299 2HG MET 39 HG1 MET 39 1.524 -15.851 1.140 300 1HE MET 39 HE1 MET 39 2.800 -17.818 1.830 301 2HE MET 39 HE2 MET 39 4.371 -17.809 2.626 302 3HE MET 39 HE3 MET 39 4.282 -17.899 0.867 303 H LEU 40 HN LEU 40 0.394 -11.587 0.538 304 HA LEU 40 HA LEU 40 0.347 -9.497 2.505 305 1HB LEU 40 HB2 LEU 40 0.911 -9.630 -0.084 306 2HB LEU 40 HB1 LEU 40 -0.796 -9.225 -0.264 307 HG LEU 40 HG LEU 40 0.294 -7.128 -0.263 308 1HD1 LEU 40 HD11 LEU 40 -1.572 -7.535 1.544 309 2HD1 LEU 40 HD12 LEU 40 -0.655 -6.032 1.554 310 3HD1 LEU 40 HD13 LEU 40 -0.242 -7.322 2.684 311 1HD2 LEU 40 HD21 LEU 40 2.412 -8.369 0.792 312 2HD2 LEU 40 HD22 LEU 40 1.797 -7.630 2.272 313 3HD2 LEU 40 HD23 LEU 40 2.228 -6.617 0.897 314 H LEU 41 HN LEU 41 -2.201 -11.076 0.591 315 HA LEU 41 HA LEU 41 -4.402 -9.447 1.331 316 1HB LEU 41 HB2 LEU 41 -4.255 -12.435 0.803 317 2HB LEU 41 HB1 LEU 41 -5.702 -11.441 0.663 318 HG LEU 41 HG LEU 41 -3.168 -11.052 -0.954 319 1HD1 LEU 41 HD11 LEU 41 -5.247 -12.948 -1.258 320 2HD1 LEU 41 HD12 LEU 41 -3.977 -12.551 -2.416 321 3HD1 LEU 41 HD13 LEU 41 -5.521 -11.704 -2.480 322 1HD2 LEU 41 HD21 LEU 41 -4.864 -9.619 -2.303 323 2HD2 LEU 41 HD22 LEU 41 -4.213 -8.944 -0.811 324 3HD2 LEU 41 HD23 LEU 41 -5.831 -9.643 -0.828 325 H GLU 42 HN GLU 42 -3.009 -12.323 2.917 326 HA GLU 42 HA GLU 42 -4.952 -12.601 4.986 327 1HB GLU 42 HB2 GLU 42 -3.048 -14.139 4.178 328 2HB GLU 42 HB1 GLU 42 -1.992 -13.174 5.208 329 1HG GLU 42 HG2 GLU 42 -3.177 -13.789 7.179 330 2HG GLU 42 HG1 GLU 42 -4.532 -14.435 6.253 331 H TYR 43 HN TYR 43 -1.873 -10.781 4.897 332 HA TYR 43 HA TYR 43 -2.029 -9.807 7.598 333 1HB TYR 43 HB2 TYR 43 0.060 -9.787 6.421 334 2HB TYR 43 HB1 TYR 43 -0.636 -8.906 5.063 335 HD1 TYR 43 HD1 TYR 43 0.728 -8.651 8.446 336 HD2 TYR 43 HD2 TYR 43 -1.212 -6.507 5.271 337 HE1 TYR 43 HE1 TYR 43 1.337 -6.504 9.523 338 HE2 TYR 43 HE2 TYR 43 -0.605 -4.357 6.347 339 HH TYR 43 HH TYR 43 1.071 -4.295 9.493 340 H ALA 44 HN ALA 44 -3.186 -8.515 4.493 341 HA ALA 44 HA ALA 44 -4.194 -6.063 5.788 342 1HB ALA 44 HB1 ALA 44 -4.560 -7.057 2.946 343 2HB ALA 44 HB2 ALA 44 -3.094 -6.247 3.499 344 3HB ALA 44 HB3 ALA 44 -4.634 -5.390 3.520 345 H GLN 45 HN GLN 45 -5.372 -9.226 5.008 346 HA GLN 45 HA GLN 45 -8.173 -8.569 4.643 347 1HB GLN 45 HB2 GLN 45 -6.466 -10.964 5.152 348 2HB GLN 45 HB1 GLN 45 -8.198 -11.121 5.451 349 1HG GLN 45 HG2 GLN 45 -8.745 -10.578 3.220 350 2HG GLN 45 HG1 GLN 45 -7.127 -9.960 2.888 351 1HE2 GLN 45 HE21 GLN 45 -8.273 -12.018 1.249 352 2HE2 GLN 45 HE22 GLN 45 -7.403 -13.453 1.503 353 H THR 46 HN THR 46 -6.198 -8.383 7.372 354 HA THR 46 HA THR 46 -8.603 -8.576 9.153 355 HB THR 46 HB THR 46 -7.286 -9.944 10.663 356 HG1 THR 46 HG1 THR 46 -5.134 -10.289 10.312 357 1HG2 THR 46 HG21 THR 46 -8.133 -10.789 8.226 358 2HG2 THR 46 HG22 THR 46 -7.379 -11.862 9.407 359 3HG2 THR 46 HG23 THR 46 -6.416 -11.170 8.102 360 H HIS 47 HN HIS 47 -6.228 -6.632 7.994 361 HA HIS 47 HA HIS 47 -6.232 -4.945 10.460 362 1HB HIS 47 HB2 HIS 47 -3.909 -5.935 8.787 363 2HB HIS 47 HB1 HIS 47 -3.752 -4.553 9.864 364 HD1 HIS 47 HD1 HIS 47 -4.866 -8.197 10.036 365 HD2 HIS 47 HD2 HIS 47 -3.127 -5.287 12.461 366 HE1 HIS 47 HE1 HIS 47 -4.261 -9.345 12.211 367 H ARG 48 HN ARG 48 -7.486 -4.947 7.595 368 HA ARG 48 HA ARG 48 -6.443 -3.121 5.800 369 1HB ARG 48 HB2 ARG 48 -9.238 -2.545 6.690 370 2HB ARG 48 HB1 ARG 48 -8.617 -2.780 5.061 371 1HG ARG 48 HG2 ARG 48 -8.321 -5.235 5.702 372 2HG ARG 48 HG1 ARG 48 -9.310 -4.874 7.115 373 1HD ARG 48 HD2 ARG 48 -10.396 -3.874 4.543 374 2HD ARG 48 HD1 ARG 48 -10.373 -5.639 4.726 375 HE ARG 48 HE ARG 48 -11.301 -4.388 7.150 376 1HH1 ARG 48 HH11 ARG 48 -12.197 -5.183 3.908 377 2HH1 ARG 48 HH12 ARG 48 -13.882 -5.339 4.280 378 1HH2 ARG 48 HH21 ARG 48 -13.498 -4.581 7.633 379 2HH2 ARG 48 HH22 ARG 48 -14.615 -4.996 6.377 380 H ASP 49 HN ASP 49 -8.457 -2.172 8.555 381 HA ASP 49 HA ASP 49 -7.849 0.647 8.357 382 1HB ASP 49 HB2 ASP 49 -8.670 -0.856 10.849 383 2HB ASP 49 HB1 ASP 49 -9.128 0.773 10.364 384 H GLN 50 HN GLN 50 -6.418 -2.073 10.050 385 HA GLN 50 HA GLN 50 -4.679 -0.539 11.778 386 1HB GLN 50 HB2 GLN 50 -4.766 -3.402 10.804 387 2HB GLN 50 HB1 GLN 50 -3.640 -2.839 12.039 388 1HG GLN 50 HG2 GLN 50 -5.586 -2.040 13.383 389 2HG GLN 50 HG1 GLN 50 -6.667 -2.735 12.175 390 1HE2 GLN 50 HE21 GLN 50 -7.248 -4.891 12.513 391 2HE2 GLN 50 HE22 GLN 50 -6.426 -5.966 13.537 392 H ILE 51 HN ILE 51 -4.511 -1.295 8.401 393 HA ILE 51 HA ILE 51 -1.547 -1.154 8.321 394 HB ILE 51 HB ILE 51 -3.660 -1.387 6.149 395 1HG1 ILE 51 HG12 ILE 51 -3.856 -3.458 7.151 396 2HG1 ILE 51 HG11 ILE 51 -2.451 -3.785 6.152 397 1HG2 ILE 51 HG21 ILE 51 -1.926 -1.787 4.618 398 2HG2 ILE 51 HG22 ILE 51 -0.757 -2.133 5.891 399 3HG2 ILE 51 HG23 ILE 51 -1.282 -0.477 5.607 400 1HD1 ILE 51 HD11 ILE 51 -2.479 -3.072 9.093 401 2HD1 ILE 51 HD12 ILE 51 -1.010 -3.083 8.119 402 3HD1 ILE 51 HD13 ILE 51 -1.922 -4.574 8.356 403 H ASP 52 HN ASP 52 -0.440 0.736 7.821 404 HA ASP 52 HA ASP 52 -2.066 3.184 7.397 405 1HB ASP 52 HB2 ASP 52 0.772 2.550 8.203 406 2HB ASP 52 HB1 ASP 52 0.253 4.199 7.854 407 H CYS 53 HN CYS 53 0.669 1.446 5.849 408 HA CYS 53 HA CYS 53 -0.053 2.776 3.280 409 1HB CYS 53 HB2 CYS 53 1.627 4.161 4.488 410 2HB CYS 53 HB1 CYS 53 2.715 2.773 4.522 411 HG CYS 53 HG CYS 53 2.075 4.489 2.046 412 H LEU 54 HN LEU 54 0.223 1.385 1.533 413 HA LEU 54 HA LEU 54 1.522 -1.262 2.138 414 1HB LEU 54 HB2 LEU 54 -0.825 -1.400 1.641 415 2HB LEU 54 HB1 LEU 54 -0.646 -0.347 0.237 416 HG LEU 54 HG LEU 54 0.808 -2.060 -0.830 417 1HD1 LEU 54 HD11 LEU 54 1.647 -3.763 0.372 418 2HD1 LEU 54 HD12 LEU 54 0.020 -4.315 0.765 419 3HD1 LEU 54 HD13 LEU 54 0.826 -3.137 1.800 420 1HD2 LEU 54 HD21 LEU 54 -1.441 -3.795 -0.348 421 2HD2 LEU 54 HD22 LEU 54 -1.087 -2.821 -1.774 422 3HD2 LEU 54 HD23 LEU 54 -1.998 -2.125 -0.434 423 H ILE 55 HN ILE 55 3.320 -1.886 0.916 424 HA ILE 55 HA ILE 55 4.106 -0.069 -1.332 425 HB ILE 55 HB ILE 55 5.673 -2.229 0.102 426 1HG1 ILE 55 HG12 ILE 55 5.830 0.749 0.594 427 2HG1 ILE 55 HG11 ILE 55 4.832 -0.328 1.577 428 1HG2 ILE 55 HG21 ILE 55 6.745 -1.726 -1.954 429 2HG2 ILE 55 HG22 ILE 55 7.587 -0.730 -0.767 430 3HG2 ILE 55 HG23 ILE 55 6.372 -0.007 -1.820 431 1HD1 ILE 55 HD11 ILE 55 7.506 0.184 2.017 432 2HD1 ILE 55 HD12 ILE 55 7.544 -1.342 1.139 433 3HD1 ILE 55 HD13 ILE 55 6.624 -1.211 2.636 434 H LEU 56 HN LEU 56 4.221 -0.915 -3.431 435 HA LEU 56 HA LEU 56 3.786 -3.863 -3.725 436 1HB LEU 56 HB2 LEU 56 2.300 -1.537 -4.950 437 2HB LEU 56 HB1 LEU 56 2.227 -3.162 -5.634 438 HG LEU 56 HG LEU 56 1.467 -2.378 -2.808 439 1HD1 LEU 56 HD11 LEU 56 -0.011 -2.808 -5.347 440 2HD1 LEU 56 HD12 LEU 56 -0.412 -1.781 -3.970 441 3HD1 LEU 56 HD13 LEU 56 -0.730 -3.515 -3.900 442 1HD2 LEU 56 HD21 LEU 56 0.541 -4.915 -3.186 443 2HD2 LEU 56 HD22 LEU 56 2.080 -4.545 -2.410 444 3HD2 LEU 56 HD23 LEU 56 2.035 -4.974 -4.121 445 H VAL 57 HN VAL 57 4.524 -4.729 -5.743 446 HA VAL 57 HA VAL 57 6.393 -2.951 -7.281 447 HB VAL 57 HB VAL 57 6.687 -5.872 -6.489 448 1HG1 VAL 57 HG11 VAL 57 9.117 -5.255 -7.297 449 2HG1 VAL 57 HG12 VAL 57 8.282 -3.994 -8.208 450 3HG1 VAL 57 HG13 VAL 57 7.887 -5.690 -8.485 451 1HG2 VAL 57 HG21 VAL 57 8.504 -3.662 -5.589 452 2HG2 VAL 57 HG22 VAL 57 8.129 -5.190 -4.797 453 3HG2 VAL 57 HG23 VAL 57 6.956 -3.874 -4.768 454 H ALA 58 HN ALA 58 5.378 -2.706 -9.252 455 HA ALA 58 HA ALA 58 3.398 -4.482 -10.304 456 1HB ALA 58 HB1 ALA 58 5.043 -2.776 -12.102 457 2HB ALA 58 HB2 ALA 58 4.189 -1.978 -10.782 458 3HB ALA 58 HB3 ALA 58 3.289 -2.912 -11.978 459 H ALA 59 HN ALA 59 6.893 -4.474 -10.594 460 HA ALA 59 HA ALA 59 7.326 -5.967 -12.918 461 1HB ALA 59 HB1 ALA 59 8.805 -5.024 -10.842 462 2HB ALA 59 HB2 ALA 59 9.440 -6.136 -12.052 463 3HB ALA 59 HB3 ALA 59 8.862 -6.755 -10.505 464 H ASN 60 HN ASN 60 5.726 -7.023 -10.004 465 HA ASN 60 HA ASN 60 6.260 -9.849 -10.275 466 1HB ASN 60 HB2 ASN 60 4.332 -8.069 -8.827 467 2HB ASN 60 HB1 ASN 60 4.018 -9.807 -8.856 468 1HD2 ASN 60 HD21 ASN 60 4.559 -9.028 -6.356 469 2HD2 ASN 60 HD22 ASN 60 6.161 -9.349 -5.899 470 HA PRO 61 HA PRO 61 3.559 -11.028 -13.476 471 1HB PRO 61 HB2 PRO 61 2.590 -13.421 -12.568 472 2HB PRO 61 HB1 PRO 61 4.254 -13.195 -13.136 473 1HG PRO 61 HG2 PRO 61 3.210 -13.321 -10.355 474 2HG PRO 61 HG1 PRO 61 4.716 -13.961 -11.028 475 1HD PRO 61 HD2 PRO 61 4.570 -11.657 -9.570 476 2HD PRO 61 HD1 PRO 61 5.822 -11.978 -10.790 477 H SER 62 HN SER 62 1.624 -12.556 -10.950 478 HA SER 62 HA SER 62 -0.777 -11.181 -11.949 479 1HB SER 62 HB2 SER 62 -0.570 -13.080 -9.614 480 2HB SER 62 HB1 SER 62 -1.914 -12.862 -10.728 481 HG SER 62 HG SER 62 -0.950 -14.599 -11.540 482 H PHE 63 HN PHE 63 1.437 -9.849 -10.188 483 HA PHE 63 HA PHE 63 0.606 -9.210 -7.625 484 1HB PHE 63 HB2 PHE 63 2.589 -8.229 -8.230 485 2HB PHE 63 HB1 PHE 63 2.030 -7.863 -9.860 486 HD1 PHE 63 HD1 PHE 63 1.191 -6.896 -6.316 487 HD2 PHE 63 HD2 PHE 63 1.740 -5.620 -10.378 488 HE1 PHE 63 HE1 PHE 63 0.744 -4.556 -5.645 489 HE2 PHE 63 HE2 PHE 63 1.297 -3.283 -9.706 490 HZ PHE 63 HZ PHE 63 0.792 -2.745 -7.338 491 H ARG 64 HN ARG 64 -0.545 -7.627 -10.617 492 HA ARG 64 HA ARG 64 -2.253 -5.697 -9.496 493 1HB ARG 64 HB2 ARG 64 -2.091 -7.286 -12.016 494 2HB ARG 64 HB1 ARG 64 -3.589 -6.412 -11.725 495 1HG ARG 64 HG2 ARG 64 -2.285 -4.826 -12.858 496 2HG ARG 64 HG1 ARG 64 -2.040 -4.397 -11.166 497 1HD ARG 64 HD2 ARG 64 0.183 -4.533 -11.643 498 2HD ARG 64 HD1 ARG 64 -0.043 -6.281 -11.637 499 HE ARG 64 HE ARG 64 -0.023 -4.552 -14.051 500 1HH1 ARG 64 HH11 ARG 64 -0.397 -7.693 -12.612 501 2HH1 ARG 64 HH12 ARG 64 -0.158 -8.530 -14.103 502 1HH2 ARG 64 HH21 ARG 64 0.306 -5.668 -15.984 503 2HH2 ARG 64 HH22 ARG 64 0.237 -7.399 -15.995 504 H ALA 65 HN ALA 65 -2.981 -9.106 -10.276 505 HA ALA 65 HA ALA 65 -5.716 -9.132 -9.544 506 1HB ALA 65 HB1 ALA 65 -5.298 -11.567 -9.282 507 2HB ALA 65 HB2 ALA 65 -3.564 -11.254 -9.247 508 3HB ALA 65 HB3 ALA 65 -4.488 -10.932 -10.715 509 H VAL 66 HN VAL 66 -2.791 -9.522 -7.570 510 HA VAL 66 HA VAL 66 -4.127 -10.156 -5.102 511 HB VAL 66 HB VAL 66 -1.469 -8.936 -5.861 512 1HG1 VAL 66 HG11 VAL 66 -1.780 -8.216 -3.619 513 2HG1 VAL 66 HG12 VAL 66 -0.814 -9.686 -3.496 514 3HG1 VAL 66 HG13 VAL 66 -2.544 -9.737 -3.156 515 1HG2 VAL 66 HG21 VAL 66 -2.521 -11.550 -5.992 516 2HG2 VAL 66 HG22 VAL 66 -1.418 -11.543 -4.614 517 3HG2 VAL 66 HG23 VAL 66 -0.838 -11.071 -6.209 518 H VAL 67 HN VAL 67 -3.083 -7.082 -6.593 519 HA VAL 67 HA VAL 67 -3.779 -5.396 -4.370 520 HB VAL 67 HB VAL 67 -3.787 -4.744 -7.330 521 1HG1 VAL 67 HG11 VAL 67 -3.505 -3.167 -4.774 522 2HG1 VAL 67 HG12 VAL 67 -4.582 -2.868 -6.138 523 3HG1 VAL 67 HG13 VAL 67 -2.853 -2.551 -6.292 524 1HG2 VAL 67 HG21 VAL 67 -1.604 -5.306 -7.342 525 2HG2 VAL 67 HG22 VAL 67 -1.648 -5.683 -5.620 526 3HG2 VAL 67 HG23 VAL 67 -1.325 -4.033 -6.154 527 H GLN 68 HN GLN 68 -5.623 -6.343 -7.329 528 HA GLN 68 HA GLN 68 -7.940 -4.788 -6.752 529 1HB GLN 68 HB2 GLN 68 -9.057 -6.381 -8.279 530 2HB GLN 68 HB1 GLN 68 -7.468 -5.940 -8.899 531 1HG GLN 68 HG2 GLN 68 -6.544 -8.002 -8.385 532 2HG GLN 68 HG1 GLN 68 -7.737 -8.351 -7.138 533 1HE2 GLN 68 HE21 GLN 68 -9.498 -9.635 -7.751 534 2HE2 GLN 68 HE22 GLN 68 -9.909 -10.002 -9.357 535 H GLN 69 HN GLN 69 -6.797 -7.878 -5.457 536 HA GLN 69 HA GLN 69 -9.246 -8.699 -4.207 537 1HB GLN 69 HB2 GLN 69 -7.123 -10.042 -4.531 538 2HB GLN 69 HB1 GLN 69 -6.406 -9.100 -3.219 539 1HG GLN 69 HG2 GLN 69 -7.273 -11.060 -2.172 540 2HG GLN 69 HG1 GLN 69 -8.435 -9.784 -1.816 541 1HE2 GLN 69 HE21 GLN 69 -10.266 -11.214 -1.655 542 2HE2 GLN 69 HE22 GLN 69 -10.898 -12.027 -3.008 543 H LEU 70 HN LEU 70 -6.457 -6.801 -2.955 544 HA LEU 70 HA LEU 70 -7.446 -6.214 -0.367 545 1HB LEU 70 HB2 LEU 70 -5.692 -4.868 -2.404 546 2HB LEU 70 HB1 LEU 70 -6.181 -3.928 -0.995 547 HG LEU 70 HG LEU 70 -5.325 -6.576 -0.186 548 1HD1 LEU 70 HD11 LEU 70 -2.958 -5.112 -1.126 549 2HD1 LEU 70 HD12 LEU 70 -3.961 -5.742 -2.435 550 3HD1 LEU 70 HD13 LEU 70 -3.319 -6.837 -1.211 551 1HD2 LEU 70 HD21 LEU 70 -5.264 -3.921 0.723 552 2HD2 LEU 70 HD22 LEU 70 -3.570 -4.359 0.507 553 3HD2 LEU 70 HD23 LEU 70 -4.607 -5.327 1.560 554 H CYS 71 HN CYS 71 -7.913 -4.466 -3.429 555 HA CYS 71 HA CYS 71 -9.744 -2.473 -2.513 556 1HB CYS 71 HB2 CYS 71 -9.304 -3.864 -5.177 557 2HB CYS 71 HB1 CYS 71 -10.269 -2.403 -4.985 558 HG CYS 71 HG CYS 71 -7.311 -2.320 -4.032 559 H PHE 72 HN PHE 72 -10.245 -5.720 -3.870 560 HA PHE 72 HA PHE 72 -13.071 -5.668 -4.118 561 1HB PHE 72 HB2 PHE 72 -11.543 -7.358 -5.065 562 2HB PHE 72 HB1 PHE 72 -11.161 -7.931 -3.438 563 HD1 PHE 72 HD1 PHE 72 -13.467 -8.111 -6.200 564 HD2 PHE 72 HD2 PHE 72 -13.046 -8.854 -1.993 565 HE1 PHE 72 HE1 PHE 72 -15.467 -9.581 -6.263 566 HE2 PHE 72 HE2 PHE 72 -15.044 -10.328 -2.053 567 HZ PHE 72 HZ PHE 72 -16.253 -10.690 -4.189 568 H GLU 73 HN GLU 73 -11.057 -6.809 -1.394 569 HA GLU 73 HA GLU 73 -13.309 -7.433 0.312 570 1HB GLU 73 HB2 GLU 73 -10.415 -6.820 0.991 571 2HB GLU 73 HB1 GLU 73 -11.547 -7.763 1.964 572 1HG GLU 73 HG2 GLU 73 -11.783 -9.207 -0.214 573 2HG GLU 73 HG1 GLU 73 -10.230 -8.486 -0.635 574 H GLY 74 HN GLY 74 -11.519 -4.535 -0.415 575 1HA GLY 74 HA2 GLY 74 -12.654 -2.386 0.114 576 2HA GLY 74 HA1 GLY 74 -13.113 -3.096 1.662 577 H VAL 75 HN VAL 75 -9.982 -4.040 0.770 578 HA VAL 75 HA VAL 75 -8.838 -2.379 2.909 579 HB VAL 75 HB VAL 75 -7.318 -4.125 0.970 580 1HG1 VAL 75 HG11 VAL 75 -6.445 -4.616 3.526 581 2HG1 VAL 75 HG12 VAL 75 -6.923 -2.922 3.630 582 3HG1 VAL 75 HG13 VAL 75 -5.729 -3.428 2.436 583 1HG2 VAL 75 HG21 VAL 75 -9.223 -5.493 1.588 584 2HG2 VAL 75 HG22 VAL 75 -9.075 -5.017 3.279 585 3HG2 VAL 75 HG23 VAL 75 -7.840 -6.035 2.537 586 H VAL 76 HN VAL 76 -8.902 -0.224 2.110 587 HA VAL 76 HA VAL 76 -7.260 0.286 -0.346 588 HB VAL 76 HB VAL 76 -9.319 2.095 0.948 589 1HG1 VAL 76 HG11 VAL 76 -8.620 3.504 -0.668 590 2HG1 VAL 76 HG12 VAL 76 -9.162 2.338 -1.876 591 3HG1 VAL 76 HG13 VAL 76 -7.503 2.286 -1.282 592 1HG2 VAL 76 HG21 VAL 76 -10.408 0.965 -1.383 593 2HG2 VAL 76 HG22 VAL 76 -10.900 0.620 0.275 594 3HG2 VAL 76 HG23 VAL 76 -9.692 -0.394 -0.518 595 H VAL 77 HN VAL 77 -5.275 1.063 0.170 596 HA VAL 77 HA VAL 77 -5.016 2.923 2.508 597 HB VAL 77 HB VAL 77 -2.836 1.630 2.911 598 1HG1 VAL 77 HG11 VAL 77 -5.516 0.254 3.194 599 2HG1 VAL 77 HG12 VAL 77 -4.718 1.284 4.383 600 3HG1 VAL 77 HG13 VAL 77 -4.042 -0.296 3.988 601 1HG2 VAL 77 HG21 VAL 77 -2.340 -0.232 1.678 602 2HG2 VAL 77 HG22 VAL 77 -3.370 0.538 0.472 603 3HG2 VAL 77 HG23 VAL 77 -4.033 -0.704 1.532 604 HA PRO 78 HA PRO 78 -2.398 5.285 -0.161 605 1HB PRO 78 HB2 PRO 78 -0.316 5.965 1.489 606 2HB PRO 78 HB1 PRO 78 -1.922 6.710 1.615 607 1HG PRO 78 HG2 PRO 78 -0.717 4.521 3.228 608 2HG PRO 78 HG1 PRO 78 -1.715 5.890 3.755 609 1HD PRO 78 HD2 PRO 78 -2.716 3.395 3.465 610 2HD PRO 78 HD1 PRO 78 -3.689 4.852 3.162 611 H ALA 79 HN ALA 79 -1.820 3.483 -1.497 612 HA ALA 79 HA ALA 79 0.531 1.882 -0.695 613 1HB ALA 79 HB1 ALA 79 -0.293 0.580 -2.746 614 2HB ALA 79 HB2 ALA 79 -1.646 1.711 -2.777 615 3HB ALA 79 HB3 ALA 79 -1.398 0.670 -1.375 616 H ILE 80 HN ILE 80 2.485 2.107 -1.641 617 HA ILE 80 HA ILE 80 2.782 4.008 -3.934 618 HB ILE 80 HB ILE 80 4.871 2.773 -2.103 619 1HG1 ILE 80 HG12 ILE 80 3.682 5.536 -1.813 620 2HG1 ILE 80 HG11 ILE 80 2.979 4.149 -0.981 621 1HG2 ILE 80 HG21 ILE 80 6.003 5.017 -2.796 622 2HG2 ILE 80 HG22 ILE 80 4.824 5.022 -4.108 623 3HG2 ILE 80 HG23 ILE 80 5.976 3.696 -3.962 624 1HD1 ILE 80 HD11 ILE 80 5.920 4.425 -0.729 625 2HD1 ILE 80 HD12 ILE 80 4.725 3.981 0.490 626 3HD1 ILE 80 HD13 ILE 80 4.971 5.676 0.071 627 H VAL 81 HN VAL 81 3.411 3.165 -5.943 628 HA VAL 81 HA VAL 81 3.924 0.217 -6.035 629 HB VAL 81 HB VAL 81 2.899 2.180 -8.104 630 1HG1 VAL 81 HG11 VAL 81 3.461 0.564 -9.575 631 2HG1 VAL 81 HG12 VAL 81 2.212 -0.430 -8.823 632 3HG1 VAL 81 HG13 VAL 81 3.884 -0.557 -8.281 633 1HG2 VAL 81 HG21 VAL 81 0.792 0.677 -7.703 634 2HG2 VAL 81 HG22 VAL 81 1.162 1.934 -6.526 635 3HG2 VAL 81 HG23 VAL 81 1.583 0.256 -6.185 636 H VAL 82 HN VAL 82 5.598 -0.596 -7.383 637 HA VAL 82 HA VAL 82 7.680 1.417 -8.189 638 HB VAL 82 HB VAL 82 8.133 -1.449 -7.337 639 1HG1 VAL 82 HG11 VAL 82 10.168 -0.757 -8.136 640 2HG1 VAL 82 HG12 VAL 82 10.298 -0.022 -6.540 641 3HG1 VAL 82 HG13 VAL 82 9.789 0.952 -7.922 642 1HG2 VAL 82 HG21 VAL 82 8.848 0.243 -5.212 643 2HG2 VAL 82 HG22 VAL 82 7.496 -0.890 -5.250 644 3HG2 VAL 82 HG23 VAL 82 7.249 0.794 -5.715 645 H GLY 83 HN GLY 83 8.986 0.791 -10.060 646 1HA GLY 83 HA2 GLY 83 9.385 -0.215 -12.144 647 2HA GLY 83 HA1 GLY 83 8.414 -1.581 -11.598 648 H ASP 84 HN ASP 84 7.780 1.867 -12.376 649 HA ASP 84 HA ASP 84 5.323 0.960 -13.833 650 1HB ASP 84 HB2 ASP 84 6.154 3.637 -12.663 651 2HB ASP 84 HB1 ASP 84 4.611 3.315 -13.449 652 H ARG 85 HN ARG 85 5.137 1.460 -16.030 653 HA ARG 85 HA ARG 85 7.496 2.805 -17.295 654 1HB ARG 85 HB2 ARG 85 5.389 0.920 -18.407 655 2HB ARG 85 HB1 ARG 85 6.796 1.517 -19.288 656 1HG ARG 85 HG2 ARG 85 7.631 0.412 -16.758 657 2HG ARG 85 HG1 ARG 85 6.656 -0.770 -17.631 658 1HD ARG 85 HD2 ARG 85 8.211 0.133 -19.669 659 2HD ARG 85 HD1 ARG 85 9.332 0.325 -18.306 660 HE ARG 85 HE ARG 85 9.421 -2.025 -18.163 661 1HH1 ARG 85 HH11 ARG 85 6.540 -0.965 -19.752 662 2HH1 ARG 85 HH12 ARG 85 5.972 -2.570 -20.058 663 1HH2 ARG 85 HH21 ARG 85 8.686 -4.117 -18.574 664 2HH2 ARG 85 HH22 ARG 85 7.180 -4.347 -19.398 665 H ASP 86 HN ASP 86 7.152 4.612 -18.602 666 HA ASP 86 HA ASP 86 4.568 5.980 -18.373 667 1HB ASP 86 HB2 ASP 86 6.908 6.987 -18.277 668 2HB ASP 86 HB1 ASP 86 7.007 6.711 -20.017 669 H SER 87 HN SER 87 3.303 4.310 -19.600 670 HA SER 87 HA SER 87 3.587 4.724 -22.554 671 1HB SER 87 HB2 SER 87 3.058 2.187 -20.985 672 2HB SER 87 HB1 SER 87 2.903 2.303 -22.734 673 HG SER 87 HG SER 87 5.181 3.264 -22.437 674 H GLU 88 HN GLU 88 1.499 4.149 -23.698 675 HA GLU 88 HA GLU 88 -0.805 5.180 -22.123 676 1HB GLU 88 HB2 GLU 88 -1.753 5.054 -24.642 677 2HB GLU 88 HB1 GLU 88 -0.769 6.400 -24.080 678 1HG GLU 88 HG2 GLU 88 1.133 5.652 -25.209 679 2HG GLU 88 HG1 GLU 88 0.569 3.988 -25.278 680 H ASP 89 HN ASP 89 -0.470 2.668 -24.673 681 HA ASP 89 HA ASP 89 -1.640 0.616 -22.975 682 1HB ASP 89 HB2 ASP 89 -3.270 2.305 -24.811 683 2HB ASP 89 HB1 ASP 89 -3.636 0.579 -24.786 684 HA PRO 90 HA PRO 90 0.550 -0.646 -26.891 685 1HB PRO 90 HB2 PRO 90 2.976 -1.309 -25.824 686 2HB PRO 90 HB1 PRO 90 2.590 0.323 -26.402 687 1HG PRO 90 HG2 PRO 90 2.806 -0.693 -23.643 688 2HG PRO 90 HG1 PRO 90 3.075 0.934 -24.275 689 1HD PRO 90 HD2 PRO 90 0.796 0.031 -22.905 690 2HD PRO 90 HD1 PRO 90 0.963 1.557 -23.794 691 H ASP 91 HN ASP 91 2.160 -2.329 -24.252 692 HA ASP 91 HA ASP 91 0.495 -4.760 -24.834 693 1HB ASP 91 HB2 ASP 91 3.454 -4.496 -24.212 694 2HB ASP 91 HB1 ASP 91 2.608 -6.020 -24.480 695 H GLU 92 HN GLU 92 1.840 -2.630 -22.462 696 HA GLU 92 HA GLU 92 0.677 -4.328 -20.287 697 1HB GLU 92 HB2 GLU 92 3.324 -2.838 -20.224 698 2HB GLU 92 HB1 GLU 92 2.687 -3.905 -18.968 699 1HG GLU 92 HG2 GLU 92 2.558 -5.581 -21.080 700 2HG GLU 92 HG1 GLU 92 3.924 -4.587 -21.583 701 HA PRO 93 HA PRO 93 -1.101 -0.191 -19.886 702 1HB PRO 93 HB2 PRO 93 -3.240 -1.006 -18.391 703 2HB PRO 93 HB1 PRO 93 -3.181 -1.158 -20.159 704 1HG PRO 93 HG2 PRO 93 -2.703 -3.219 -18.068 705 2HG PRO 93 HG1 PRO 93 -3.532 -3.362 -19.625 706 1HD PRO 93 HD2 PRO 93 -0.982 -4.224 -19.187 707 2HD PRO 93 HD1 PRO 93 -1.587 -3.702 -20.776 708 H ALA 94 HN ALA 94 1.094 -0.518 -18.353 709 HA ALA 94 HA ALA 94 0.606 -0.801 -15.521 710 1HB ALA 94 HB1 ALA 94 2.886 0.853 -16.185 711 2HB ALA 94 HB2 ALA 94 2.778 -0.500 -17.309 712 3HB ALA 94 HB3 ALA 94 2.865 -0.801 -15.572 713 H LYS 95 HN LYS 95 -0.752 0.623 -14.500 714 HA LYS 95 HA LYS 95 -0.117 3.506 -14.577 715 1HB LYS 95 HB2 LYS 95 -2.597 2.220 -15.701 716 2HB LYS 95 HB1 LYS 95 -2.689 3.845 -15.023 717 1HG LYS 95 HG2 LYS 95 -0.677 4.404 -16.524 718 2HG LYS 95 HG1 LYS 95 -1.030 2.888 -17.356 719 1HD LYS 95 HD2 LYS 95 -3.140 3.633 -18.086 720 2HD LYS 95 HD1 LYS 95 -3.203 4.920 -16.882 721 1HE LYS 95 HE2 LYS 95 -1.370 6.109 -18.047 722 2HE LYS 95 HE1 LYS 95 -1.317 4.818 -19.265 723 1HZ LYS 95 HZ1 LYS 95 -3.918 6.001 -18.636 724 2HZ LYS 95 HZ2 LYS 95 -3.337 5.385 -20.109 725 3HZ LYS 95 HZ3 LYS 95 -2.851 6.924 -19.578 726 H GLU 96 HN GLU 96 -2.424 4.400 -13.254 727 HA GLU 96 HA GLU 96 -1.924 3.546 -10.557 728 1HB GLU 96 HB2 GLU 96 -4.243 5.063 -11.801 729 2HB GLU 96 HB1 GLU 96 -3.814 5.069 -10.088 730 1HG GLU 96 HG2 GLU 96 -1.419 5.734 -11.210 731 2HG GLU 96 HG1 GLU 96 -2.534 6.473 -12.358 732 H GLN 97 HN GLN 97 -3.942 2.265 -13.073 733 HA GLN 97 HA GLN 97 -6.089 1.127 -11.626 734 1HB GLN 97 HB2 GLN 97 -6.039 1.032 -14.024 735 2HB GLN 97 HB1 GLN 97 -4.495 0.174 -14.020 736 1HG GLN 97 HG2 GLN 97 -5.567 -1.742 -12.881 737 2HG GLN 97 HG1 GLN 97 -7.111 -0.896 -12.918 738 1HE2 GLN 97 HE21 GLN 97 -6.053 0.154 -15.748 739 2HE2 GLN 97 HE22 GLN 97 -6.476 -1.129 -16.776 740 H LEU 98 HN LEU 98 -2.722 0.384 -11.413 741 HA LEU 98 HA LEU 98 -2.705 -2.360 -10.748 742 1HB LEU 98 HB2 LEU 98 -1.148 -0.020 -9.580 743 2HB LEU 98 HB1 LEU 98 -0.666 -1.711 -9.469 744 HG LEU 98 HG LEU 98 -1.118 -0.297 -12.106 745 1HD1 LEU 98 HD11 LEU 98 1.037 0.025 -10.240 746 2HD1 LEU 98 HD12 LEU 98 0.890 0.699 -11.863 747 3HD1 LEU 98 HD13 LEU 98 1.639 -0.881 -11.630 748 1HD2 LEU 98 HD21 LEU 98 -0.168 -2.220 -13.077 749 2HD2 LEU 98 HD22 LEU 98 -1.191 -2.877 -11.796 750 3HD2 LEU 98 HD23 LEU 98 0.552 -2.741 -11.554 751 H TYR 99 HN TYR 99 -3.669 0.497 -9.009 752 HA TYR 99 HA TYR 99 -4.898 -1.184 -6.908 753 1HB TYR 99 HB2 TYR 99 -2.470 -0.285 -6.450 754 2HB TYR 99 HB1 TYR 99 -3.283 1.255 -6.188 755 HD1 TYR 99 HD1 TYR 99 -5.880 -0.410 -5.182 756 HD2 TYR 99 HD2 TYR 99 -1.740 -0.189 -4.060 757 HE1 TYR 99 HE1 TYR 99 -6.466 -1.109 -2.871 758 HE2 TYR 99 HE2 TYR 99 -2.330 -0.891 -1.759 759 HH TYR 99 HH TYR 99 -3.940 -1.550 -0.395 760 H HIS 100 HN HIS 100 -4.979 1.790 -5.630 761 HA HIS 100 HA HIS 100 -7.537 2.454 -7.007 762 1HB HIS 100 HB2 HIS 100 -7.541 4.132 -4.945 763 2HB HIS 100 HB1 HIS 100 -7.959 2.437 -4.727 764 HD2 HIS 100 HD2 HIS 100 -4.930 4.859 -3.908 765 HE1 HIS 100 HE1 HIS 100 -4.348 1.227 -1.830 766 HE2 HIS 100 HE2 HIS 100 -3.486 3.556 -2.199 767 H SER 101 HN SER 101 -7.738 5.147 -6.607 768 HA SER 101 HA SER 101 -5.811 6.191 -8.583 769 1HB SER 101 HB2 SER 101 -7.455 7.815 -8.912 770 2HB SER 101 HB1 SER 101 -8.430 6.479 -8.307 771 HG SER 101 HG SER 101 -8.656 8.648 -7.277 772 H ALA 102 HN ALA 102 -5.543 5.797 -5.355 773 HA ALA 102 HA ALA 102 -4.321 8.491 -4.893 774 1HB ALA 102 HB1 ALA 102 -5.968 6.619 -3.349 775 2HB ALA 102 HB2 ALA 102 -5.734 8.355 -3.129 776 3HB ALA 102 HB3 ALA 102 -4.575 7.217 -2.450 777 H GLU 103 HN GLU 103 -3.593 5.089 -5.151 778 HA GLU 103 HA GLU 103 -1.321 4.820 -3.513 779 1HB GLU 103 HB2 GLU 103 -0.645 3.147 -5.263 780 2HB GLU 103 HB1 GLU 103 -2.332 2.995 -4.771 781 1HG GLU 103 HG2 GLU 103 -3.124 4.037 -6.744 782 2HG GLU 103 HG1 GLU 103 -1.534 4.698 -7.133 783 H LEU 104 HN LEU 104 0.919 5.278 -3.876 784 HA LEU 104 HA LEU 104 1.406 7.466 -5.842 785 1HB LEU 104 HB2 LEU 104 2.419 6.594 -3.206 786 2HB LEU 104 HB1 LEU 104 3.657 7.209 -4.301 787 HG LEU 104 HG LEU 104 2.142 9.212 -4.704 788 1HD1 LEU 104 HD11 LEU 104 0.699 7.899 -2.388 789 2HD1 LEU 104 HD12 LEU 104 0.029 8.357 -3.954 790 3HD1 LEU 104 HD13 LEU 104 0.500 9.603 -2.797 791 1HD2 LEU 104 HD21 LEU 104 4.112 8.891 -2.938 792 2HD2 LEU 104 HD22 LEU 104 2.794 9.086 -1.780 793 3HD2 LEU 104 HD23 LEU 104 3.138 10.361 -2.949 794 H HIS 105 HN HIS 105 3.368 7.364 -7.157 795 HA HIS 105 HA HIS 105 4.168 4.549 -7.795 796 1HB HIS 105 HB2 HIS 105 4.127 7.114 -9.413 797 2HB HIS 105 HB1 HIS 105 4.773 5.585 -10.008 798 HD1 HIS 105 HD1 HIS 105 2.656 6.150 -11.771 799 HD2 HIS 105 HD2 HIS 105 1.717 4.750 -7.960 800 HE1 HIS 105 HE1 HIS 105 0.287 5.266 -11.897 801 H LEU 106 HN LEU 106 6.363 4.053 -7.806 802 HA LEU 106 HA LEU 106 8.259 6.266 -7.104 803 1HB LEU 106 HB2 LEU 106 7.668 4.985 -5.122 804 2HB LEU 106 HB1 LEU 106 7.980 3.467 -5.967 805 HG LEU 106 HG LEU 106 10.360 4.145 -6.239 806 1HD1 LEU 106 HD11 LEU 106 10.037 6.275 -4.182 807 2HD1 LEU 106 HD12 LEU 106 9.538 6.678 -5.825 808 3HD1 LEU 106 HD13 LEU 106 11.192 6.157 -5.510 809 1HD2 LEU 106 HD21 LEU 106 10.550 4.342 -3.479 810 2HD2 LEU 106 HD22 LEU 106 10.430 2.838 -4.387 811 3HD2 LEU 106 HD23 LEU 106 8.978 3.580 -3.714 812 H GLY 107 HN GLY 107 10.343 6.059 -8.045 813 1HA GLY 107 HA2 GLY 107 10.472 4.381 -10.426 814 2HA GLY 107 HA1 GLY 107 11.733 5.479 -9.867 815 H ILE 108 HN ILE 108 11.863 2.585 -10.738 816 HA ILE 108 HA ILE 108 12.323 0.837 -8.561 817 HB ILE 108 HB ILE 108 13.598 1.127 -11.302 818 1HG1 ILE 108 HG12 ILE 108 11.425 -0.807 -10.507 819 2HG1 ILE 108 HG11 ILE 108 11.024 0.836 -11.007 820 1HG2 ILE 108 HG21 ILE 108 13.513 -1.550 -10.577 821 2HG2 ILE 108 HG22 ILE 108 14.051 -0.720 -9.116 822 3HG2 ILE 108 HG23 ILE 108 14.945 -0.521 -10.626 823 1HD1 ILE 108 HD11 ILE 108 11.730 0.497 -13.182 824 2HD1 ILE 108 HD12 ILE 108 11.201 -1.139 -12.790 825 3HD1 ILE 108 HD13 ILE 108 12.914 -0.726 -12.718 826 H HIS 109 HN HIS 109 14.506 3.098 -10.245 827 HA HIS 109 HA HIS 109 16.728 2.460 -8.410 828 1HB HIS 109 HB2 HIS 109 18.002 3.771 -9.942 829 2HB HIS 109 HB1 HIS 109 16.813 2.944 -10.946 830 HD1 HIS 109 HD1 HIS 109 18.160 6.206 -10.407 831 HD2 HIS 109 HD2 HIS 109 14.340 4.755 -11.236 832 HE1 HIS 109 HE1 HIS 109 16.829 8.164 -11.299 833 H GLN 110 HN GLN 110 13.987 4.189 -8.041 834 HA GLN 110 HA GLN 110 15.262 6.526 -6.682 835 1HB GLN 110 HB2 GLN 110 12.449 5.859 -7.599 836 2HB GLN 110 HB1 GLN 110 12.841 7.311 -6.678 837 1HG GLN 110 HG2 GLN 110 14.503 7.921 -8.453 838 2HG GLN 110 HG1 GLN 110 13.933 6.545 -9.400 839 1HE2 GLN 110 HE21 GLN 110 13.039 9.753 -8.197 840 2HE2 GLN 110 HE22 GLN 110 11.636 9.913 -9.137 841 H LEU 111 HN LEU 111 15.166 3.700 -5.585 842 HA LEU 111 HA LEU 111 13.153 3.540 -3.539 843 1HB LEU 111 HB2 LEU 111 15.813 2.263 -4.144 844 2HB LEU 111 HB1 LEU 111 15.022 1.916 -2.610 845 HG LEU 111 HG LEU 111 14.573 0.445 -4.805 846 1HD1 LEU 111 HD11 LEU 111 13.637 0.323 -2.403 847 2HD1 LEU 111 HD12 LEU 111 12.678 -0.398 -3.698 848 3HD1 LEU 111 HD13 LEU 111 12.244 1.184 -3.052 849 1HD2 LEU 111 HD21 LEU 111 12.534 1.125 -5.934 850 2HD2 LEU 111 HD22 LEU 111 13.701 2.441 -6.058 851 3HD2 LEU 111 HD23 LEU 111 12.382 2.541 -4.894 852 H GLU 112 HN GLU 112 13.628 5.960 -3.108 853 HA GLU 112 HA GLU 112 15.083 6.106 -0.529 854 1HB GLU 112 HB2 GLU 112 15.608 7.971 -2.869 855 2HB GLU 112 HB1 GLU 112 16.408 8.020 -1.297 856 1HG GLU 112 HG2 GLU 112 17.274 5.713 -1.713 857 2HG GLU 112 HG1 GLU 112 16.565 5.775 -3.327 858 H GLN 113 HN GLN 113 12.555 7.061 -2.634 859 HA GLN 113 HA GLN 113 11.823 9.451 -1.010 860 1HB GLN 113 HB2 GLN 113 10.980 8.240 -3.652 861 2HB GLN 113 HB1 GLN 113 10.107 9.592 -2.924 862 1HG GLN 113 HG2 GLN 113 11.743 11.070 -3.452 863 2HG GLN 113 HG1 GLN 113 13.015 9.968 -2.934 864 1HE2 GLN 113 HE21 GLN 113 14.257 9.066 -4.580 865 2HE2 GLN 113 HE22 GLN 113 13.813 9.016 -6.218 866 H LEU 114 HN LEU 114 11.259 6.144 -1.031 867 HA LEU 114 HA LEU 114 8.561 5.679 -0.725 868 1HB LEU 114 HB2 LEU 114 11.027 4.661 0.643 869 2HB LEU 114 HB1 LEU 114 9.447 4.047 1.132 870 HG LEU 114 HG LEU 114 9.374 4.033 -1.669 871 1HD1 LEU 114 HD11 LEU 114 12.056 3.122 -0.601 872 2HD1 LEU 114 HD12 LEU 114 11.751 4.295 -1.882 873 3HD1 LEU 114 HD13 LEU 114 11.408 2.587 -2.150 874 1HD2 LEU 114 HD21 LEU 114 9.920 1.844 0.357 875 2HD2 LEU 114 HD22 LEU 114 9.488 1.541 -1.326 876 3HD2 LEU 114 HD23 LEU 114 8.346 2.352 -0.256 877 HA PRO 115 HA PRO 115 8.607 7.125 3.858 878 1HB PRO 115 HB2 PRO 115 10.530 8.960 4.550 879 2HB PRO 115 HB1 PRO 115 10.726 7.211 4.786 880 1HG PRO 115 HG2 PRO 115 11.750 8.949 2.588 881 2HG PRO 115 HG1 PRO 115 12.569 7.643 3.460 882 1HD PRO 115 HD2 PRO 115 11.542 7.284 1.006 883 2HD PRO 115 HD1 PRO 115 11.533 5.987 2.218 884 H TYR 116 HN TYR 116 10.195 9.710 1.930 885 HA TYR 116 HA TYR 116 8.336 11.760 2.624 886 1HB TYR 116 HB2 TYR 116 10.004 12.817 1.496 887 2HB TYR 116 HB1 TYR 116 10.610 11.268 0.922 888 HD1 TYR 116 HD1 TYR 116 10.680 10.911 -1.369 889 HD2 TYR 116 HD2 TYR 116 7.789 13.648 0.239 890 HE1 TYR 116 HE1 TYR 116 9.933 11.465 -3.667 891 HE2 TYR 116 HE2 TYR 116 7.042 14.204 -2.058 892 HH TYR 116 HH TYR 116 8.504 13.961 -4.578 893 H GLN 117 HN GLN 117 8.300 9.179 0.256 894 HA GLN 117 HA GLN 117 5.963 10.067 -1.229 895 1HB GLN 117 HB2 GLN 117 7.543 7.516 -0.887 896 2HB GLN 117 HB1 GLN 117 6.090 7.560 -1.886 897 1HG GLN 117 HG2 GLN 117 8.185 9.662 -2.303 898 2HG GLN 117 HG1 GLN 117 8.456 8.046 -2.961 899 1HE2 GLN 117 HE21 GLN 117 7.457 10.902 -4.062 900 2HE2 GLN 117 HE22 GLN 117 6.216 10.437 -5.121 901 H VAL 118 HN VAL 118 6.592 7.749 1.383 902 HA VAL 118 HA VAL 118 3.981 6.728 1.740 903 HB VAL 118 HB VAL 118 6.439 7.158 3.402 904 1HG1 VAL 118 HG11 VAL 118 3.718 6.423 4.509 905 2HG1 VAL 118 HG12 VAL 118 4.818 7.679 5.083 906 3HG1 VAL 118 HG13 VAL 118 5.221 5.980 5.317 907 1HG2 VAL 118 HG21 VAL 118 6.498 5.165 2.161 908 2HG2 VAL 118 HG22 VAL 118 4.779 4.857 2.398 909 3HG2 VAL 118 HG23 VAL 118 5.907 4.619 3.731 910 H ASP 119 HN ASP 119 5.520 9.612 3.273 911 HA ASP 119 HA ASP 119 3.161 10.451 4.692 912 1HB ASP 119 HB2 ASP 119 5.680 11.762 3.658 913 2HB ASP 119 HB1 ASP 119 4.436 12.726 4.457 914 H ALA 120 HN ALA 120 4.435 11.144 1.449 915 HA ALA 120 HA ALA 120 2.389 13.027 0.681 916 1HB ALA 120 HB1 ALA 120 3.280 12.485 -1.601 917 2HB ALA 120 HB2 ALA 120 4.206 11.164 -0.888 918 3HB ALA 120 HB3 ALA 120 4.562 12.834 -0.441 919 H ALA 121 HN ALA 121 2.630 9.527 0.760 920 HA ALA 121 HA ALA 121 0.299 9.068 -0.947 921 1HB ALA 121 HB1 ALA 121 1.953 7.375 -0.940 922 2HB ALA 121 HB2 ALA 121 0.696 6.706 0.104 923 3HB ALA 121 HB3 ALA 121 2.135 7.439 0.814 924 H LEU 122 HN LEU 122 0.966 9.095 2.560 925 HA LEU 122 HA LEU 122 -1.574 8.141 3.446 926 1HB LEU 122 HB2 LEU 122 0.380 10.117 4.681 927 2HB LEU 122 HB1 LEU 122 -0.885 9.263 5.562 928 HG LEU 122 HG LEU 122 1.112 7.712 3.941 929 1HD1 LEU 122 HD11 LEU 122 2.133 7.567 6.459 930 2HD1 LEU 122 HD12 LEU 122 1.584 9.242 6.435 931 3HD1 LEU 122 HD13 LEU 122 2.740 8.675 5.230 932 1HD2 LEU 122 HD21 LEU 122 0.226 6.756 6.568 933 2HD2 LEU 122 HD22 LEU 122 0.189 5.937 5.007 934 3HD2 LEU 122 HD23 LEU 122 -1.109 7.044 5.455 935 H ALA 123 HN ALA 123 -0.409 11.507 3.063 936 HA ALA 123 HA ALA 123 -2.925 12.750 3.666 937 1HB ALA 123 HB1 ALA 123 -0.890 13.890 1.764 938 2HB ALA 123 HB2 ALA 123 -0.460 13.641 3.457 939 3HB ALA 123 HB3 ALA 123 -1.798 14.708 3.037 940 H GLU 124 HN GLU 124 -1.398 11.781 0.588 941 HA GLU 124 HA GLU 124 -3.446 12.762 -1.150 942 1HB GLU 124 HB2 GLU 124 -1.065 11.878 -1.617 943 2HB GLU 124 HB1 GLU 124 -1.783 10.271 -1.567 944 1HG GLU 124 HG2 GLU 124 -1.666 11.204 -3.878 945 2HG GLU 124 HG1 GLU 124 -3.320 10.863 -3.366 946 H PHE 125 HN PHE 125 -3.041 9.661 0.566 947 HA PHE 125 HA PHE 125 -5.401 8.448 -0.633 948 1HB PHE 125 HB2 PHE 125 -3.643 7.029 0.117 949 2HB PHE 125 HB1 PHE 125 -3.575 7.823 1.692 950 HD1 PHE 125 HD1 PHE 125 -5.361 7.478 3.354 951 HD2 PHE 125 HD2 PHE 125 -5.321 5.366 -0.380 952 HE1 PHE 125 HE1 PHE 125 -7.035 5.883 4.244 953 HE2 PHE 125 HE2 PHE 125 -6.994 3.767 0.505 954 HZ PHE 125 HZ PHE 125 -7.855 4.026 2.818 955 H LEU 126 HN LEU 126 -4.712 9.932 2.573 956 HA LEU 126 HA LEU 126 -7.281 9.475 3.721 957 1HB LEU 126 HB2 LEU 126 -5.224 11.685 4.049 958 2HB LEU 126 HB1 LEU 126 -6.597 11.460 5.133 959 HG LEU 126 HG LEU 126 -4.534 9.318 4.559 960 1HD1 LEU 126 HD11 LEU 126 -4.153 9.985 7.154 961 2HD1 LEU 126 HD12 LEU 126 -4.624 11.559 6.512 962 3HD1 LEU 126 HD13 LEU 126 -3.233 10.711 5.835 963 1HD2 LEU 126 HD21 LEU 126 -6.741 8.483 5.260 964 2HD2 LEU 126 HD22 LEU 126 -6.726 9.576 6.643 965 3HD2 LEU 126 HD23 LEU 126 -5.562 8.255 6.551 966 H ARG 127 HN ARG 127 -6.035 12.194 1.797 967 HA ARG 127 HA ARG 127 -8.365 13.837 1.845 968 1HB ARG 127 HB2 ARG 127 -6.149 14.559 1.086 969 2HB ARG 127 HB1 ARG 127 -6.205 13.409 -0.250 970 1HG ARG 127 HG2 ARG 127 -6.818 15.568 -1.133 971 2HG ARG 127 HG1 ARG 127 -8.284 14.590 -1.062 972 1HD ARG 127 HD2 ARG 127 -8.817 15.651 1.157 973 2HD ARG 127 HD1 ARG 127 -7.434 16.738 0.907 974 HE ARG 127 HE ARG 127 -9.009 16.760 -1.466 975 1HH1 ARG 127 HH11 ARG 127 -9.120 17.714 1.851 976 2HH1 ARG 127 HH12 ARG 127 -10.221 19.021 1.572 977 1HH2 ARG 127 HH21 ARG 127 -10.450 18.460 -1.843 978 2HH2 ARG 127 HH22 ARG 127 -10.975 19.444 -0.518 979 H LEU 128 HN LEU 128 -7.392 11.187 -0.320 980 HA LEU 128 HA LEU 128 -9.845 11.454 -1.926 981 1HB LEU 128 HB2 LEU 128 -7.230 10.144 -2.033 982 2HB LEU 128 HB1 LEU 128 -8.532 9.112 -2.625 983 HG LEU 128 HG LEU 128 -9.305 11.139 -3.990 984 1HD1 LEU 128 HD11 LEU 128 -7.890 12.757 -2.681 985 2HD1 LEU 128 HD12 LEU 128 -7.667 12.864 -4.427 986 3HD1 LEU 128 HD13 LEU 128 -6.466 12.039 -3.434 987 1HD2 LEU 128 HD21 LEU 128 -6.822 9.517 -4.449 988 2HD2 LEU 128 HD22 LEU 128 -7.240 10.778 -5.611 989 3HD2 LEU 128 HD23 LEU 128 -8.367 9.458 -5.298 990 H ALA 129 HN ALA 129 -9.171 10.090 1.051 991 HA ALA 129 HA ALA 129 -10.546 7.550 0.793 992 1HB ALA 129 HB1 ALA 129 -8.958 8.877 2.644 993 2HB ALA 129 HB2 ALA 129 -9.759 7.328 2.908 994 3HB ALA 129 HB3 ALA 129 -10.535 8.822 3.430 995 HA PRO 130 HA PRO 130 -11.892 6.263 1.383 996 1HB PRO 130 HB2 PRO 130 -14.057 5.238 0.068 997 2HB PRO 130 HB1 PRO 130 -14.015 5.452 1.830 998 1HG PRO 130 HG2 PRO 130 -15.318 7.124 -0.248 999 2HG PRO 130 HG1 PRO 130 -15.866 6.722 1.387 1000 1HD PRO 130 HD2 PRO 130 -14.730 9.116 0.678 1001 2HD PRO 130 HD1 PRO 130 -14.716 8.447 2.327 1002 H VAL 131 HN VAL 131 -10.533 5.711 -0.300 1003 HA VAL 131 HA VAL 131 -10.535 7.186 -2.787 1004 HB VAL 131 HB VAL 131 -9.175 4.558 -2.175 1005 1HG1 VAL 131 HG11 VAL 131 -8.330 6.973 -3.799 1006 2HG1 VAL 131 HG12 VAL 131 -8.970 5.473 -4.471 1007 3HG1 VAL 131 HG13 VAL 131 -7.423 5.470 -3.624 1008 1HG2 VAL 131 HG21 VAL 131 -8.878 7.206 -0.911 1009 2HG2 VAL 131 HG22 VAL 131 -7.367 6.510 -1.498 1010 3HG2 VAL 131 HG23 VAL 131 -8.351 5.625 -0.336 1011 H GLU 132 HN GLU 132 -10.806 6.204 -4.923 1012 HA GLU 132 HA GLU 132 -13.128 4.378 -5.022 1013 1HB GLU 132 HB2 GLU 132 -12.924 6.471 -6.384 1014 2HB GLU 132 HB1 GLU 132 -11.535 5.763 -7.210 1015 1HG GLU 132 HG2 GLU 132 -13.006 3.840 -7.884 1016 2HG GLU 132 HG1 GLU 132 -14.377 4.718 -7.203 1017 H THR 133 HN THR 133 -12.673 2.215 -4.966 1018 HA THR 133 HA THR 133 -10.161 1.284 -6.308 1019 HB THR 133 HB THR 133 -10.770 -0.704 -4.623 1020 HG1 THR 133 HG1 THR 133 -11.718 1.535 -3.212 1021 1HG2 THR 133 HG21 THR 133 -9.329 0.422 -2.947 1022 2HG2 THR 133 HG22 THR 133 -9.538 1.943 -3.815 1023 3HG2 THR 133 HG23 THR 133 -8.694 0.600 -4.583 1024 H MET 134 HN MET 134 -12.034 1.474 -8.177 1025 HA MET 134 HA MET 134 -14.066 -0.515 -8.348 1026 1HB MET 134 HB2 MET 134 -12.364 0.888 -10.435 1027 2HB MET 134 HB1 MET 134 -13.797 -0.062 -10.826 1028 1HG MET 134 HG2 MET 134 -13.838 2.242 -8.863 1029 2HG MET 134 HG1 MET 134 -14.192 2.443 -10.578 1030 1HE MET 134 HE1 MET 134 -15.843 1.844 -11.771 1031 2HE MET 134 HE2 MET 134 -17.470 1.390 -11.272 1032 3HE MET 134 HE3 MET 134 -16.271 0.138 -11.585 1033 H ALA 135 HN ALA 135 -10.596 -0.690 -8.843 1034 HA ALA 135 HA ALA 135 -9.188 -2.507 -9.402 1035 1HB ALA 135 HB1 ALA 135 -10.350 -4.711 -8.474 1036 2HB ALA 135 HB2 ALA 135 -11.516 -3.557 -7.825 1037 3HB ALA 135 HB3 ALA 135 -9.818 -3.449 -7.363 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -3.913 4.903 15.881 2 2H MET 1 HT2 MET 1 -2.587 4.276 15.024 3 3H MET 1 HT3 MET 1 -3.156 5.841 14.687 4 HA MET 1 HA MET 1 -2.549 6.502 16.995 5 1HB MET 1 HB2 MET 1 -2.673 3.904 17.487 6 2HB MET 1 HB1 MET 1 -0.966 3.951 17.040 7 1HG MET 1 HG2 MET 1 -0.477 5.560 18.755 8 2HG MET 1 HG1 MET 1 -2.189 5.813 19.088 9 1HE MET 1 HE1 MET 1 -2.258 4.712 22.020 10 2HE MET 1 HE2 MET 1 -1.157 5.806 21.192 11 3HE MET 1 HE3 MET 1 -0.511 4.447 22.110 12 H LEU 2 HN LEU 2 -0.754 7.841 16.865 13 HA LEU 2 HA LEU 2 0.938 7.641 14.484 14 1HB LEU 2 HB2 LEU 2 0.044 9.762 15.383 15 2HB LEU 2 HB1 LEU 2 0.989 9.526 16.857 16 HG LEU 2 HG LEU 2 2.769 9.173 14.672 17 1HD1 LEU 2 HD11 LEU 2 0.634 10.968 14.007 18 2HD1 LEU 2 HD12 LEU 2 2.073 10.575 13.064 19 3HD1 LEU 2 HD13 LEU 2 2.114 11.903 14.225 20 1HD2 LEU 2 HD21 LEU 2 2.407 10.862 17.045 21 2HD2 LEU 2 HD22 LEU 2 3.296 11.667 15.752 22 3HD2 LEU 2 HD23 LEU 2 3.878 10.134 16.400 23 H SER 3 HN SER 3 1.135 6.207 17.536 24 HA SER 3 HA SER 3 3.744 6.461 18.454 25 1HB SER 3 HB2 SER 3 2.331 3.816 18.000 26 2HB SER 3 HB1 SER 3 3.475 4.202 19.284 27 HG SER 3 HG SER 3 1.966 5.649 20.121 28 H GLN 4 HN GLN 4 2.663 4.272 15.865 29 HA GLN 4 HA GLN 4 5.255 4.626 14.477 30 1HB GLN 4 HB2 GLN 4 4.120 1.970 15.415 31 2HB GLN 4 HB1 GLN 4 5.496 2.138 14.324 32 1HG GLN 4 HG2 GLN 4 6.609 3.560 16.108 33 2HG GLN 4 HG1 GLN 4 5.309 3.072 17.196 34 1HE2 GLN 4 HE21 GLN 4 8.408 2.331 16.683 35 2HE2 GLN 4 HE22 GLN 4 8.397 0.654 16.950 36 H ILE 5 HN ILE 5 5.120 3.771 12.247 37 HA ILE 5 HA ILE 5 2.354 4.021 11.171 38 HB ILE 5 HB ILE 5 5.070 4.065 9.816 39 1HG1 ILE 5 HG12 ILE 5 3.370 6.350 10.863 40 2HG1 ILE 5 HG11 ILE 5 4.895 5.808 11.558 41 1HG2 ILE 5 HG21 ILE 5 3.984 4.642 7.896 42 2HG2 ILE 5 HG22 ILE 5 2.753 5.571 8.752 43 3HG2 ILE 5 HG23 ILE 5 2.631 3.815 8.659 44 1HD1 ILE 5 HD11 ILE 5 6.149 6.780 9.919 45 2HD1 ILE 5 HD12 ILE 5 4.722 7.797 9.719 46 3HD1 ILE 5 HD13 ILE 5 4.968 6.408 8.661 47 H ALA 6 HN ALA 6 1.378 2.299 10.111 48 HA ALA 6 HA ALA 6 2.857 -0.281 10.055 49 1HB ALA 6 HB1 ALA 6 -0.050 0.130 9.421 50 2HB ALA 6 HB2 ALA 6 0.509 0.230 11.091 51 3HB ALA 6 HB3 ALA 6 0.732 -1.259 10.171 52 H ILE 7 HN ILE 7 3.899 -0.630 8.151 53 HA ILE 7 HA ILE 7 2.470 0.097 5.620 54 HB ILE 7 HB ILE 7 5.416 0.109 6.354 55 1HG1 ILE 7 HG12 ILE 7 3.471 2.318 5.619 56 2HG1 ILE 7 HG11 ILE 7 4.136 2.014 7.224 57 1HG2 ILE 7 HG21 ILE 7 5.986 0.396 4.161 58 2HG2 ILE 7 HG22 ILE 7 4.500 1.266 3.781 59 3HG2 ILE 7 HG23 ILE 7 4.492 -0.495 3.875 60 1HD1 ILE 7 HD11 ILE 7 5.898 2.533 4.827 61 2HD1 ILE 7 HD12 ILE 7 6.338 2.591 6.534 62 3HD1 ILE 7 HD13 ILE 7 5.292 3.835 5.850 63 H CYS 8 HN CYS 8 1.874 -1.769 4.531 64 HA CYS 8 HA CYS 8 3.426 -4.256 5.089 65 1HB CYS 8 HB2 CYS 8 0.816 -3.921 5.197 66 2HB CYS 8 HB1 CYS 8 0.916 -4.093 3.441 67 HG CYS 8 HG CYS 8 2.461 -6.324 4.748 68 H ILE 9 HN ILE 9 5.063 -4.602 3.662 69 HA ILE 9 HA ILE 9 4.728 -3.614 0.863 70 HB ILE 9 HB ILE 9 6.647 -2.828 2.187 71 1HG1 ILE 9 HG12 ILE 9 6.719 -3.652 -0.374 72 2HG1 ILE 9 HG11 ILE 9 8.143 -3.006 0.434 73 1HG2 ILE 9 HG21 ILE 9 8.392 -4.557 2.804 74 2HG2 ILE 9 HG22 ILE 9 7.179 -5.788 2.448 75 3HG2 ILE 9 HG23 ILE 9 6.902 -4.626 3.746 76 1HD1 ILE 9 HD11 ILE 9 8.758 -5.068 -0.689 77 2HD1 ILE 9 HD12 ILE 9 7.426 -5.932 0.076 78 3HD1 ILE 9 HD13 ILE 9 8.780 -5.360 1.049 79 H TRP 10 HN TRP 10 4.945 -5.004 -0.864 80 HA TRP 10 HA TRP 10 5.261 -7.909 -0.192 81 1HB TRP 10 HB2 TRP 10 2.993 -7.548 -0.909 82 2HB TRP 10 HB1 TRP 10 3.514 -6.503 -2.236 83 HD1 TRP 10 HD1 TRP 10 5.563 -9.582 -1.588 84 HE1 TRP 10 HE1 TRP 10 5.220 -11.287 -3.483 85 HE3 TRP 10 HE3 TRP 10 1.651 -7.394 -4.018 86 HZ2 TRP 10 HZ2 TRP 10 3.500 -11.677 -5.731 87 HZ3 TRP 10 HZ3 TRP 10 0.688 -8.450 -6.037 88 HH2 TRP 10 HH2 TRP 10 1.602 -10.588 -6.898 89 H VAL 11 HN VAL 11 7.106 -8.702 -1.059 90 HA VAL 11 HA VAL 11 7.966 -7.909 -3.753 91 HB VAL 11 HB VAL 11 8.634 -6.050 -2.268 92 1HG1 VAL 11 HG11 VAL 11 10.300 -8.115 -0.819 93 2HG1 VAL 11 HG12 VAL 11 8.746 -7.528 -0.229 94 3HG1 VAL 11 HG13 VAL 11 10.102 -6.414 -0.396 95 1HG2 VAL 11 HG21 VAL 11 10.132 -6.392 -4.080 96 2HG2 VAL 11 HG22 VAL 11 10.821 -7.835 -3.339 97 3HG2 VAL 11 HG23 VAL 11 11.160 -6.249 -2.656 98 H GLU 12 HN GLU 12 8.756 -9.804 -4.586 99 HA GLU 12 HA GLU 12 9.355 -12.080 -2.881 100 1HB GLU 12 HB2 GLU 12 9.685 -11.553 -5.844 101 2HB GLU 12 HB1 GLU 12 9.848 -13.139 -5.091 102 1HG GLU 12 HG2 GLU 12 7.503 -12.822 -4.169 103 2HG GLU 12 HG1 GLU 12 7.370 -11.402 -5.207 104 H SER 13 HN SER 13 11.272 -9.463 -4.024 105 HA SER 13 HA SER 13 13.787 -11.051 -3.760 106 1HB SER 13 HB2 SER 13 13.348 -9.620 -5.769 107 2HB SER 13 HB1 SER 13 13.290 -8.213 -4.712 108 HG SER 13 HG SER 13 15.381 -8.832 -5.784 109 H THR 14 HN THR 14 15.026 -10.829 -1.923 110 HA THR 14 HA THR 14 14.196 -9.245 0.324 111 HB THR 14 HB THR 14 17.002 -10.223 -0.252 112 HG1 THR 14 HG1 THR 14 16.294 -12.189 -0.200 113 1HG2 THR 14 HG21 THR 14 15.334 -9.590 2.154 114 2HG2 THR 14 HG22 THR 14 17.025 -9.205 1.833 115 3HG2 THR 14 HG23 THR 14 16.565 -10.845 2.290 116 H ALA 15 HN ALA 15 16.780 -8.782 -2.114 117 HA ALA 15 HA ALA 15 17.899 -6.376 -1.186 118 1HB ALA 15 HB1 ALA 15 17.529 -6.343 -4.053 119 2HB ALA 15 HB2 ALA 15 17.863 -7.990 -3.521 120 3HB ALA 15 HB3 ALA 15 18.998 -6.695 -3.142 121 H ILE 16 HN ILE 16 15.098 -6.812 -3.374 122 HA ILE 16 HA ILE 16 14.391 -4.032 -3.530 123 HB ILE 16 HB ILE 16 12.791 -6.605 -3.765 124 1HG1 ILE 16 HG12 ILE 16 14.059 -4.855 -5.895 125 2HG1 ILE 16 HG11 ILE 16 14.763 -6.355 -5.291 126 1HG2 ILE 16 HG21 ILE 16 12.164 -3.820 -4.781 127 2HG2 ILE 16 HG22 ILE 16 11.358 -4.607 -3.426 128 3HG2 ILE 16 HG23 ILE 16 11.192 -5.264 -5.059 129 1HD1 ILE 16 HD11 ILE 16 11.981 -6.734 -6.024 130 2HD1 ILE 16 HD12 ILE 16 13.410 -7.601 -6.587 131 3HD1 ILE 16 HD13 ILE 16 12.914 -6.107 -7.382 132 H LEU 17 HN LEU 17 13.409 -6.686 -1.373 133 HA LEU 17 HA LEU 17 11.463 -5.276 0.171 134 1HB LEU 17 HB2 LEU 17 11.547 -7.610 0.435 135 2HB LEU 17 HB1 LEU 17 13.302 -7.632 0.510 136 HG LEU 17 HG LEU 17 11.923 -8.042 2.694 137 1HD1 LEU 17 HD11 LEU 17 13.979 -5.921 3.101 138 2HD1 LEU 17 HD12 LEU 17 14.475 -7.375 2.232 139 3HD1 LEU 17 HD13 LEU 17 13.824 -7.501 3.867 140 1HD2 LEU 17 HD21 LEU 17 12.110 -5.198 3.319 141 2HD2 LEU 17 HD22 LEU 17 10.777 -6.313 3.588 142 3HD2 LEU 17 HD23 LEU 17 10.946 -5.509 2.033 143 H GLN 18 HN GLN 18 14.962 -5.759 0.657 144 HA GLN 18 HA GLN 18 15.214 -4.289 3.082 145 1HB GLN 18 HB2 GLN 18 17.034 -4.972 0.770 146 2HB GLN 18 HB1 GLN 18 17.629 -4.050 2.151 147 1HG GLN 18 HG2 GLN 18 16.683 -5.918 3.622 148 2HG GLN 18 HG1 GLN 18 16.504 -6.856 2.138 149 1HE2 GLN 18 HE21 GLN 18 18.992 -5.417 1.022 150 2HE2 GLN 18 HE22 GLN 18 20.294 -6.216 1.763 151 H ASP 19 HN ASP 19 15.582 -3.199 -0.309 152 HA ASP 19 HA ASP 19 16.305 -0.505 0.307 153 1HB ASP 19 HB2 ASP 19 14.989 -1.911 -2.021 154 2HB ASP 19 HB1 ASP 19 15.334 -0.181 -2.071 155 H CYS 20 HN CYS 20 13.106 -1.984 -0.339 156 HA CYS 20 HA CYS 20 11.571 0.400 -0.157 157 1HB CYS 20 HB2 CYS 20 10.950 -2.481 0.558 158 2HB CYS 20 HB1 CYS 20 9.726 -1.226 0.355 159 HG CYS 20 HG CYS 20 10.302 -2.672 -1.916 160 H GLN 21 HN GLN 21 12.663 -1.876 2.349 161 HA GLN 21 HA GLN 21 11.328 -0.377 4.492 162 1HB GLN 21 HB2 GLN 21 13.265 -2.693 4.306 163 2HB GLN 21 HB1 GLN 21 12.726 -2.046 5.856 164 1HG GLN 21 HG2 GLN 21 10.329 -2.337 4.911 165 2HG GLN 21 HG1 GLN 21 11.090 -3.387 3.713 166 1HE2 GLN 21 HE21 GLN 21 13.196 -4.217 5.722 167 2HE2 GLN 21 HE22 GLN 21 12.413 -5.317 6.750 168 H ARG 22 HN ARG 22 14.418 -0.425 2.882 169 HA ARG 22 HA ARG 22 16.091 0.770 4.842 170 1HB ARG 22 HB2 ARG 22 15.926 0.493 1.890 171 2HB ARG 22 HB1 ARG 22 16.989 1.769 2.483 172 1HG ARG 22 HG2 ARG 22 18.211 0.176 3.861 173 2HG ARG 22 HG1 ARG 22 17.087 -1.112 3.421 174 1HD ARG 22 HD2 ARG 22 17.883 -1.224 1.211 175 2HD ARG 22 HD1 ARG 22 18.616 0.390 1.293 176 HE ARG 22 HE ARG 22 19.984 -0.858 3.258 177 1HH1 ARG 22 HH11 ARG 22 19.105 -1.919 0.079 178 2HH1 ARG 22 HH12 ARG 22 20.490 -2.941 -0.094 179 1HH2 ARG 22 HH21 ARG 22 21.797 -2.179 3.018 180 2HH2 ARG 22 HH22 ARG 22 22.007 -3.087 1.558 181 H ALA 23 HN ALA 23 14.129 2.302 2.268 182 HA ALA 23 HA ALA 23 14.639 5.006 3.160 183 1HB ALA 23 HB1 ALA 23 13.807 4.004 0.896 184 2HB ALA 23 HB2 ALA 23 13.136 5.551 1.421 185 3HB ALA 23 HB3 ALA 23 12.212 4.065 1.646 186 H LEU 24 HN LEU 24 11.878 2.751 3.589 187 HA LEU 24 HA LEU 24 10.574 4.558 5.522 188 1HB LEU 24 HB2 LEU 24 9.979 1.758 4.506 189 2HB LEU 24 HB1 LEU 24 8.862 2.770 5.425 190 HG LEU 24 HG LEU 24 10.084 3.521 2.761 191 1HD1 LEU 24 HD11 LEU 24 7.565 2.147 3.525 192 2HD1 LEU 24 HD12 LEU 24 8.502 2.035 2.035 193 3HD1 LEU 24 HD13 LEU 24 7.434 3.411 2.304 194 1HD2 LEU 24 HD21 LEU 24 8.172 5.255 2.958 195 2HD2 LEU 24 HD22 LEU 24 9.636 5.522 3.903 196 3HD2 LEU 24 HD23 LEU 24 8.195 4.864 4.676 197 H SER 25 HN SER 25 13.057 3.916 6.535 198 HA SER 25 HA SER 25 12.692 1.613 8.390 199 1HB SER 25 HB2 SER 25 14.876 2.915 7.003 200 2HB SER 25 HB1 SER 25 15.207 2.845 8.732 201 HG SER 25 HG SER 25 15.274 0.721 8.641 202 H ALA 26 HN ALA 26 12.099 4.901 8.332 203 HA ALA 26 HA ALA 26 12.941 6.250 10.517 204 1HB ALA 26 HB1 ALA 26 10.888 6.550 8.895 205 2HB ALA 26 HB2 ALA 26 10.828 7.308 10.486 206 3HB ALA 26 HB3 ALA 26 9.975 5.792 10.198 207 H ASP 27 HN ASP 27 12.686 6.152 12.811 208 HA ASP 27 HA ASP 27 12.539 3.606 14.047 209 1HB ASP 27 HB2 ASP 27 11.955 6.356 15.189 210 2HB ASP 27 HB1 ASP 27 12.444 4.938 16.114 211 H ARG 28 HN ARG 28 9.982 5.501 12.786 212 HA ARG 28 HA ARG 28 7.986 4.124 14.536 213 1HB ARG 28 HB2 ARG 28 6.552 5.982 14.009 214 2HB ARG 28 HB1 ARG 28 8.139 6.656 14.387 215 1HG ARG 28 HG2 ARG 28 8.674 6.776 11.983 216 2HG ARG 28 HG1 ARG 28 7.099 6.085 11.594 217 1HD ARG 28 HD2 ARG 28 5.941 8.014 12.445 218 2HD ARG 28 HD1 ARG 28 7.433 8.669 13.148 219 HE ARG 28 HE ARG 28 6.714 8.733 10.304 220 1HH1 ARG 28 HH11 ARG 28 9.234 8.713 12.671 221 2HH1 ARG 28 HH12 ARG 28 10.368 9.542 11.658 222 1HH2 ARG 28 HH21 ARG 28 8.194 9.812 8.972 223 2HH2 ARG 28 HH22 ARG 28 9.781 10.162 9.571 224 H TYR 29 HN TYR 29 9.323 2.970 11.996 225 HA TYR 29 HA TYR 29 6.856 2.780 10.301 226 1HB TYR 29 HB2 TYR 29 9.791 2.711 9.811 227 2HB TYR 29 HB1 TYR 29 8.785 1.698 8.773 228 HD1 TYR 29 HD1 TYR 29 10.377 4.540 8.474 229 HD2 TYR 29 HD2 TYR 29 6.296 3.266 8.599 230 HE1 TYR 29 HE1 TYR 29 9.731 6.549 7.202 231 HE2 TYR 29 HE2 TYR 29 5.631 5.279 7.322 232 HH TYR 29 HH TYR 29 8.032 7.479 5.973 233 H GLN 30 HN GLN 30 5.766 0.925 10.304 234 HA GLN 30 HA GLN 30 7.086 -1.531 11.417 235 1HB GLN 30 HB2 GLN 30 5.139 -0.692 12.676 236 2HB GLN 30 HB1 GLN 30 4.172 -0.690 11.205 237 1HG GLN 30 HG2 GLN 30 4.548 -3.154 11.008 238 2HG GLN 30 HG1 GLN 30 5.380 -3.110 12.562 239 1HE2 GLN 30 HE21 GLN 30 3.029 -4.667 12.300 240 2HE2 GLN 30 HE22 GLN 30 1.778 -3.941 13.186 241 H LEU 31 HN LEU 31 8.018 -2.054 9.337 242 HA LEU 31 HA LEU 31 6.207 -2.377 7.048 243 1HB LEU 31 HB2 LEU 31 9.152 -2.981 7.355 244 2HB LEU 31 HB1 LEU 31 8.270 -2.711 5.853 245 HG LEU 31 HG LEU 31 7.895 -0.523 7.747 246 1HD1 LEU 31 HD11 LEU 31 10.370 -1.528 8.030 247 2HD1 LEU 31 HD12 LEU 31 10.052 0.208 8.062 248 3HD1 LEU 31 HD13 LEU 31 10.634 -0.555 6.583 249 1HD2 LEU 31 HD21 LEU 31 8.630 -0.956 4.873 250 2HD2 LEU 31 HD22 LEU 31 8.896 0.633 5.593 251 3HD2 LEU 31 HD23 LEU 31 7.272 -0.058 5.556 252 H GLN 32 HN GLN 32 5.092 -4.226 6.810 253 HA GLN 32 HA GLN 32 6.159 -6.766 7.948 254 1HB GLN 32 HB2 GLN 32 3.810 -6.000 8.391 255 2HB GLN 32 HB1 GLN 32 3.493 -6.065 6.657 256 1HG GLN 32 HG2 GLN 32 2.725 -8.124 7.825 257 2HG GLN 32 HG1 GLN 32 3.974 -8.466 6.629 258 1HE2 GLN 32 HE21 GLN 32 5.736 -9.652 7.379 259 2HE2 GLN 32 HE22 GLN 32 6.164 -9.831 9.011 260 H VAL 33 HN VAL 33 7.280 -8.064 6.528 261 HA VAL 33 HA VAL 33 7.109 -7.429 3.634 262 HB VAL 33 HB VAL 33 8.962 -9.316 5.099 263 1HG1 VAL 33 HG11 VAL 33 8.632 -8.954 2.438 264 2HG1 VAL 33 HG12 VAL 33 10.197 -9.331 3.165 265 3HG1 VAL 33 HG13 VAL 33 9.782 -7.661 2.771 266 1HG2 VAL 33 HG21 VAL 33 9.201 -6.322 4.646 267 2HG2 VAL 33 HG22 VAL 33 10.496 -7.355 5.255 268 3HG2 VAL 33 HG23 VAL 33 9.027 -7.129 6.205 269 H CYS 34 HN CYS 34 6.173 -8.765 2.184 270 HA CYS 34 HA CYS 34 5.356 -11.498 3.125 271 1HB CYS 34 HB2 CYS 34 4.003 -9.503 1.285 272 2HB CYS 34 HB1 CYS 34 3.410 -11.140 1.577 273 HG CYS 34 HG CYS 34 2.675 -10.490 3.891 274 H GLU 35 HN GLU 35 6.527 -13.017 2.047 275 HA GLU 35 HA GLU 35 8.120 -12.532 -0.274 276 1HB GLU 35 HB2 GLU 35 6.964 -15.082 0.897 277 2HB GLU 35 HB1 GLU 35 8.321 -15.005 -0.228 278 1HG GLU 35 HG2 GLU 35 9.639 -13.730 1.371 279 2HG GLU 35 HG1 GLU 35 8.267 -13.628 2.474 280 H SER 36 HN SER 36 4.758 -13.522 0.098 281 HA SER 36 HA SER 36 4.581 -13.947 -2.864 282 1HB SER 36 HB2 SER 36 3.032 -15.573 -2.370 283 2HB SER 36 HB1 SER 36 3.880 -15.573 -0.826 284 HG SER 36 HG SER 36 1.593 -15.352 -0.609 285 H GLY 37 HN GLY 37 1.900 -13.561 -3.253 286 1HA GLY 37 HA2 GLY 37 1.564 -10.651 -2.663 287 2HA GLY 37 HA1 GLY 37 0.818 -11.498 -4.025 288 H GLU 38 HN GLU 38 0.171 -13.834 -2.444 289 HA GLU 38 HA GLU 38 -2.430 -13.070 -1.432 290 1HB GLU 38 HB2 GLU 38 -0.682 -15.486 -1.696 291 2HB GLU 38 HB1 GLU 38 -2.012 -15.580 -0.552 292 1HG GLU 38 HG2 GLU 38 -3.157 -14.402 -2.800 293 2HG GLU 38 HG1 GLU 38 -2.078 -15.629 -3.465 294 H MET 39 HN MET 39 0.754 -13.732 -0.080 295 HA MET 39 HA MET 39 0.072 -13.931 2.665 296 1HB MET 39 HB2 MET 39 2.478 -13.066 1.066 297 2HB MET 39 HB1 MET 39 2.528 -13.031 2.826 298 1HG MET 39 HG2 MET 39 1.419 -15.517 2.264 299 2HG MET 39 HG1 MET 39 2.646 -15.321 1.013 300 1HE MET 39 HE1 MET 39 1.706 -15.840 4.563 301 2HE MET 39 HE2 MET 39 2.310 -14.209 4.839 302 3HE MET 39 HE3 MET 39 3.154 -15.583 5.545 303 H LEU 40 HN LEU 40 1.077 -11.067 0.758 304 HA LEU 40 HA LEU 40 0.865 -9.099 2.789 305 1HB LEU 40 HB2 LEU 40 1.748 -8.962 0.387 306 2HB LEU 40 HB1 LEU 40 0.072 -8.859 -0.139 307 HG LEU 40 HG LEU 40 0.789 -6.613 -0.032 308 1HD1 LEU 40 HD11 LEU 40 -0.526 -5.603 1.696 309 2HD1 LEU 40 HD12 LEU 40 -0.393 -7.031 2.717 310 3HD1 LEU 40 HD13 LEU 40 -1.350 -7.092 1.236 311 1HD2 LEU 40 HD21 LEU 40 1.933 -5.745 2.083 312 2HD2 LEU 40 HD22 LEU 40 2.892 -6.810 1.052 313 3HD2 LEU 40 HD23 LEU 40 2.157 -7.436 2.530 314 H LEU 41 HN LEU 41 -1.595 -10.416 0.589 315 HA LEU 41 HA LEU 41 -3.781 -8.801 1.322 316 1HB LEU 41 HB2 LEU 41 -3.578 -11.738 0.589 317 2HB LEU 41 HB1 LEU 41 -5.083 -10.818 0.576 318 HG LEU 41 HG LEU 41 -2.627 -10.028 -1.007 319 1HD1 LEU 41 HD11 LEU 41 -3.175 -11.687 -2.436 320 2HD1 LEU 41 HD12 LEU 41 -4.684 -10.829 -2.744 321 3HD1 LEU 41 HD13 LEU 41 -4.620 -12.086 -1.507 322 1HD2 LEU 41 HD21 LEU 41 -5.332 -9.177 -1.802 323 2HD2 LEU 41 HD22 LEU 41 -3.851 -8.230 -1.678 324 3HD2 LEU 41 HD23 LEU 41 -4.815 -8.559 -0.239 325 H GLU 42 HN GLU 42 -2.894 -12.000 2.727 326 HA GLU 42 HA GLU 42 -4.904 -12.111 4.686 327 1HB GLU 42 HB2 GLU 42 -3.067 -13.786 3.962 328 2HB GLU 42 HB1 GLU 42 -2.058 -12.991 5.174 329 1HG GLU 42 HG2 GLU 42 -3.640 -13.517 6.931 330 2HG GLU 42 HG1 GLU 42 -4.806 -14.128 5.756 331 H TYR 43 HN TYR 43 -1.688 -10.510 4.938 332 HA TYR 43 HA TYR 43 -1.929 -9.762 7.683 333 1HB TYR 43 HB2 TYR 43 0.180 -9.594 6.624 334 2HB TYR 43 HB1 TYR 43 -0.478 -8.667 5.275 335 HD1 TYR 43 HD1 TYR 43 0.797 -8.517 8.703 336 HD2 TYR 43 HD2 TYR 43 -1.180 -6.306 5.595 337 HE1 TYR 43 HE1 TYR 43 1.282 -6.397 9.897 338 HE2 TYR 43 HE2 TYR 43 -0.691 -4.189 6.784 339 HH TYR 43 HH TYR 43 0.172 -4.015 9.940 340 H ALA 44 HN ALA 44 -2.872 -8.005 4.710 341 HA ALA 44 HA ALA 44 -3.821 -5.654 6.073 342 1HB ALA 44 HB1 ALA 44 -3.199 -6.243 3.566 343 2HB ALA 44 HB2 ALA 44 -4.397 -4.995 3.916 344 3HB ALA 44 HB3 ALA 44 -4.921 -6.615 3.455 345 H GLN 45 HN GLN 45 -5.450 -8.634 4.989 346 HA GLN 45 HA GLN 45 -8.140 -7.908 5.396 347 1HB GLN 45 HB2 GLN 45 -6.867 -10.569 6.090 348 2HB GLN 45 HB1 GLN 45 -8.508 -10.289 5.506 349 1HG GLN 45 HG2 GLN 45 -6.653 -9.096 3.667 350 2HG GLN 45 HG1 GLN 45 -6.176 -10.769 3.958 351 1HE2 GLN 45 HE21 GLN 45 -6.915 -11.052 1.616 352 2HE2 GLN 45 HE22 GLN 45 -8.565 -11.331 1.335 353 H THR 46 HN THR 46 -5.650 -8.306 7.776 354 HA THR 46 HA THR 46 -7.647 -8.652 9.965 355 HB THR 46 HB THR 46 -5.774 -9.354 11.247 356 HG1 THR 46 HG1 THR 46 -3.816 -8.587 10.934 357 1HG2 THR 46 HG21 THR 46 -6.343 -10.599 8.912 358 2HG2 THR 46 HG22 THR 46 -5.125 -11.186 10.043 359 3HG2 THR 46 HG23 THR 46 -4.640 -10.224 8.649 360 H HIS 47 HN HIS 47 -5.468 -6.261 8.583 361 HA HIS 47 HA HIS 47 -6.382 -4.318 10.673 362 1HB HIS 47 HB2 HIS 47 -3.681 -5.277 9.915 363 2HB HIS 47 HB1 HIS 47 -3.826 -3.538 10.163 364 HD1 HIS 47 HD1 HIS 47 -3.195 -2.981 12.492 365 HD2 HIS 47 HD2 HIS 47 -5.284 -6.586 12.313 366 HE1 HIS 47 HE1 HIS 47 -3.464 -3.773 14.883 367 H ARG 48 HN ARG 48 -7.261 -4.671 7.848 368 HA ARG 48 HA ARG 48 -6.187 -3.077 5.867 369 1HB ARG 48 HB2 ARG 48 -9.051 -2.531 6.545 370 2HB ARG 48 HB1 ARG 48 -8.335 -2.923 4.986 371 1HG ARG 48 HG2 ARG 48 -7.981 -5.265 5.866 372 2HG ARG 48 HG1 ARG 48 -8.958 -4.812 7.263 373 1HD ARG 48 HD2 ARG 48 -10.166 -4.105 4.666 374 2HD ARG 48 HD1 ARG 48 -10.007 -5.850 4.955 375 HE ARG 48 HE ARG 48 -10.939 -4.959 7.369 376 1HH1 ARG 48 HH11 ARG 48 -11.900 -4.420 4.094 377 2HH1 ARG 48 HH12 ARG 48 -13.570 -4.196 4.488 378 1HH2 ARG 48 HH21 ARG 48 -13.121 -4.679 7.890 379 2HH2 ARG 48 HH22 ARG 48 -14.261 -4.344 6.629 380 H ASP 49 HN ASP 49 -8.375 -1.857 8.361 381 HA ASP 49 HA ASP 49 -8.010 0.927 7.757 382 1HB ASP 49 HB2 ASP 49 -8.980 -0.626 10.166 383 2HB ASP 49 HB1 ASP 49 -9.072 1.133 10.067 384 H GLN 50 HN GLN 50 -6.184 -1.295 9.782 385 HA GLN 50 HA GLN 50 -4.799 0.921 11.146 386 1HB GLN 50 HB2 GLN 50 -4.383 -2.078 11.257 387 2HB GLN 50 HB1 GLN 50 -3.803 -0.891 12.429 388 1HG GLN 50 HG2 GLN 50 -6.715 -1.444 11.772 389 2HG GLN 50 HG1 GLN 50 -5.878 -1.966 13.231 390 1HE2 GLN 50 HE21 GLN 50 -7.929 0.418 12.136 391 2HE2 GLN 50 HE22 GLN 50 -7.516 1.660 13.217 392 H ILE 51 HN ILE 51 -4.404 -0.479 8.114 393 HA ILE 51 HA ILE 51 -1.445 -0.572 8.186 394 HB ILE 51 HB ILE 51 -3.362 -0.674 5.829 395 1HG1 ILE 51 HG12 ILE 51 -4.032 -2.563 7.014 396 2HG1 ILE 51 HG11 ILE 51 -2.697 -3.219 6.077 397 1HG2 ILE 51 HG21 ILE 51 -0.909 -0.192 5.413 398 2HG2 ILE 51 HG22 ILE 51 -1.517 -1.654 4.633 399 3HG2 ILE 51 HG23 ILE 51 -0.555 -1.774 6.107 400 1HD1 ILE 51 HD11 ILE 51 -1.186 -2.693 8.048 401 2HD1 ILE 51 HD12 ILE 51 -2.374 -3.964 8.337 402 3HD1 ILE 51 HD13 ILE 51 -2.644 -2.342 8.975 403 H ASP 52 HN ASP 52 -0.228 1.244 7.896 404 HA ASP 52 HA ASP 52 -1.548 3.770 7.188 405 1HB ASP 52 HB2 ASP 52 1.055 2.827 8.295 406 2HB ASP 52 HB1 ASP 52 1.012 4.427 7.555 407 H CYS 53 HN CYS 53 0.490 1.409 5.527 408 HA CYS 53 HA CYS 53 0.167 2.881 3.013 409 1HB CYS 53 HB2 CYS 53 2.142 3.749 4.675 410 2HB CYS 53 HB1 CYS 53 3.015 2.546 3.727 411 HG CYS 53 HG CYS 53 1.373 4.486 2.013 412 H LEU 54 HN LEU 54 0.233 1.389 1.319 413 HA LEU 54 HA LEU 54 1.421 -1.295 1.957 414 1HB LEU 54 HB2 LEU 54 -0.911 -1.362 1.353 415 2HB LEU 54 HB1 LEU 54 -0.641 -0.303 -0.032 416 HG LEU 54 HG LEU 54 0.709 -2.018 -1.132 417 1HD1 LEU 54 HD11 LEU 54 0.261 -4.339 0.347 418 2HD1 LEU 54 HD12 LEU 54 0.716 -3.139 1.557 419 3HD1 LEU 54 HD13 LEU 54 1.792 -3.478 0.201 420 1HD2 LEU 54 HD21 LEU 54 -1.267 -3.932 -0.751 421 2HD2 LEU 54 HD22 LEU 54 -1.334 -2.603 -1.907 422 3HD2 LEU 54 HD23 LEU 54 -2.075 -2.426 -0.318 423 H ILE 55 HN ILE 55 3.306 -1.893 0.884 424 HA ILE 55 HA ILE 55 4.213 -0.143 -1.367 425 HB ILE 55 HB ILE 55 5.675 -2.261 0.234 426 1HG1 ILE 55 HG12 ILE 55 5.858 0.742 0.524 427 2HG1 ILE 55 HG11 ILE 55 4.874 -0.277 1.581 428 1HG2 ILE 55 HG21 ILE 55 7.607 -1.627 -0.868 429 2HG2 ILE 55 HG22 ILE 55 6.988 -0.017 -1.237 430 3HG2 ILE 55 HG23 ILE 55 6.420 -1.411 -2.159 431 1HD1 ILE 55 HD11 ILE 55 6.686 -0.914 2.753 432 2HD1 ILE 55 HD12 ILE 55 7.629 0.262 1.837 433 3HD1 ILE 55 HD13 ILE 55 7.515 -1.406 1.278 434 H LEU 56 HN LEU 56 4.149 -0.974 -3.421 435 HA LEU 56 HA LEU 56 3.913 -3.946 -3.702 436 1HB LEU 56 HB2 LEU 56 2.291 -1.690 -4.874 437 2HB LEU 56 HB1 LEU 56 2.314 -3.292 -5.608 438 HG LEU 56 HG LEU 56 1.563 -2.682 -2.737 439 1HD1 LEU 56 HD11 LEU 56 -0.530 -3.934 -4.184 440 2HD1 LEU 56 HD12 LEU 56 0.061 -2.611 -5.189 441 3HD1 LEU 56 HD13 LEU 56 -0.496 -2.289 -3.548 442 1HD2 LEU 56 HD21 LEU 56 2.047 -5.193 -4.290 443 2HD2 LEU 56 HD22 LEU 56 0.722 -5.192 -3.124 444 3HD2 LEU 56 HD23 LEU 56 2.367 -4.845 -2.591 445 H VAL 57 HN VAL 57 4.707 -4.774 -5.711 446 HA VAL 57 HA VAL 57 6.533 -2.901 -7.183 447 HB VAL 57 HB VAL 57 6.754 -5.868 -6.551 448 1HG1 VAL 57 HG11 VAL 57 8.234 -4.052 -8.387 449 2HG1 VAL 57 HG12 VAL 57 7.939 -5.784 -8.514 450 3HG1 VAL 57 HG13 VAL 57 9.197 -5.184 -7.436 451 1HG2 VAL 57 HG21 VAL 57 7.214 -4.475 -4.603 452 2HG2 VAL 57 HG22 VAL 57 8.274 -3.438 -5.554 453 3HG2 VAL 57 HG23 VAL 57 8.739 -5.106 -5.224 454 H ALA 58 HN ALA 58 5.431 -2.477 -9.094 455 HA ALA 58 HA ALA 58 3.473 -4.157 -10.308 456 1HB ALA 58 HB1 ALA 58 4.177 -1.642 -10.602 457 2HB ALA 58 HB2 ALA 58 3.506 -2.515 -11.980 458 3HB ALA 58 HB3 ALA 58 5.249 -2.282 -11.847 459 H ALA 59 HN ALA 59 6.960 -4.228 -10.438 460 HA ALA 59 HA ALA 59 7.548 -5.460 -12.863 461 1HB ALA 59 HB1 ALA 59 9.077 -4.760 -10.971 462 2HB ALA 59 HB2 ALA 59 9.490 -6.310 -11.705 463 3HB ALA 59 HB3 ALA 59 8.646 -6.263 -10.159 464 H ASN 60 HN ASN 60 5.671 -6.809 -10.242 465 HA ASN 60 HA ASN 60 6.082 -9.596 -11.088 466 1HB ASN 60 HB2 ASN 60 4.502 -8.096 -9.022 467 2HB ASN 60 HB1 ASN 60 4.109 -9.785 -9.352 468 1HD2 ASN 60 HD21 ASN 60 4.990 -10.621 -7.346 469 2HD2 ASN 60 HD22 ASN 60 6.653 -10.589 -7.008 470 HA PRO 61 HA PRO 61 2.840 -9.701 -14.022 471 1HB PRO 61 HB2 PRO 61 2.209 -12.356 -13.959 472 2HB PRO 61 HB1 PRO 61 3.700 -11.724 -14.688 473 1HG PRO 61 HG2 PRO 61 3.292 -13.095 -12.100 474 2HG PRO 61 HG1 PRO 61 4.697 -13.092 -13.173 475 1HD PRO 61 HD2 PRO 61 4.437 -11.617 -10.822 476 2HD PRO 61 HD1 PRO 61 5.636 -11.331 -12.101 477 H SER 62 HN SER 62 1.752 -12.112 -11.613 478 HA SER 62 HA SER 62 -1.011 -11.299 -11.836 479 1HB SER 62 HB2 SER 62 -1.031 -12.769 -9.635 480 2HB SER 62 HB1 SER 62 -0.696 -13.514 -11.195 481 HG SER 62 HG SER 62 1.185 -12.615 -9.263 482 H PHE 63 HN PHE 63 1.496 -9.661 -10.390 483 HA PHE 63 HA PHE 63 0.731 -8.882 -7.846 484 1HB PHE 63 HB2 PHE 63 2.683 -7.900 -8.595 485 2HB PHE 63 HB1 PHE 63 2.041 -7.616 -10.211 486 HD1 PHE 63 HD1 PHE 63 1.568 -5.419 -10.808 487 HD2 PHE 63 HD2 PHE 63 1.387 -6.556 -6.672 488 HE1 PHE 63 HE1 PHE 63 1.026 -3.079 -10.191 489 HE2 PHE 63 HE2 PHE 63 0.840 -4.224 -6.055 490 HZ PHE 63 HZ PHE 63 0.660 -2.480 -7.811 491 H ARG 64 HN ARG 64 -0.504 -7.461 -10.912 492 HA ARG 64 HA ARG 64 -2.274 -5.561 -9.840 493 1HB ARG 64 HB2 ARG 64 -2.079 -7.236 -12.300 494 2HB ARG 64 HB1 ARG 64 -3.629 -6.443 -12.010 495 1HG ARG 64 HG2 ARG 64 -2.485 -4.792 -13.196 496 2HG ARG 64 HG1 ARG 64 -2.135 -4.331 -11.530 497 1HD ARG 64 HD2 ARG 64 0.075 -4.537 -11.980 498 2HD ARG 64 HD1 ARG 64 -0.183 -6.261 -12.296 499 HE ARG 64 HE ARG 64 -1.011 -4.515 -14.497 500 1HH1 ARG 64 HH11 ARG 64 1.533 -6.315 -13.006 501 2HH1 ARG 64 HH12 ARG 64 2.391 -6.567 -14.487 502 1HH2 ARG 64 HH21 ARG 64 0.104 -4.837 -16.427 503 2HH2 ARG 64 HH22 ARG 64 1.586 -5.731 -16.419 504 H ALA 65 HN ALA 65 -2.751 -9.058 -10.287 505 HA ALA 65 HA ALA 65 -5.514 -9.146 -9.500 506 1HB ALA 65 HB1 ALA 65 -5.098 -11.285 -10.152 507 2HB ALA 65 HB2 ALA 65 -4.045 -11.514 -8.757 508 3HB ALA 65 HB3 ALA 65 -3.381 -10.891 -10.267 509 H VAL 66 HN VAL 66 -2.475 -9.179 -7.715 510 HA VAL 66 HA VAL 66 -3.577 -9.908 -5.146 511 HB VAL 66 HB VAL 66 -1.112 -8.342 -5.971 512 1HG1 VAL 66 HG11 VAL 66 -2.170 -9.168 -3.380 513 2HG1 VAL 66 HG12 VAL 66 -0.838 -8.073 -3.748 514 3HG1 VAL 66 HG13 VAL 66 -0.555 -9.812 -3.675 515 1HG2 VAL 66 HG21 VAL 66 -0.158 -10.768 -5.433 516 2HG2 VAL 66 HG22 VAL 66 -0.807 -10.386 -7.027 517 3HG2 VAL 66 HG23 VAL 66 -1.799 -11.254 -5.857 518 H VAL 67 HN VAL 67 -2.819 -6.794 -6.717 519 HA VAL 67 HA VAL 67 -3.543 -5.142 -4.477 520 HB VAL 67 HB VAL 67 -3.788 -4.361 -7.376 521 1HG1 VAL 67 HG11 VAL 67 -2.948 -3.004 -4.807 522 2HG1 VAL 67 HG12 VAL 67 -4.305 -2.594 -5.857 523 3HG1 VAL 67 HG13 VAL 67 -2.651 -2.291 -6.392 524 1HG2 VAL 67 HG21 VAL 67 -1.329 -5.119 -5.826 525 2HG2 VAL 67 HG22 VAL 67 -1.238 -3.836 -7.030 526 3HG2 VAL 67 HG23 VAL 67 -1.731 -5.458 -7.511 527 H GLN 68 HN GLN 68 -5.382 -6.251 -7.359 528 HA GLN 68 HA GLN 68 -7.788 -4.823 -6.695 529 1HB GLN 68 HB2 GLN 68 -8.768 -6.227 -8.396 530 2HB GLN 68 HB1 GLN 68 -7.106 -5.915 -8.897 531 1HG GLN 68 HG2 GLN 68 -6.381 -8.068 -8.213 532 2HG GLN 68 HG1 GLN 68 -7.858 -8.363 -7.294 533 1HE2 GLN 68 HE21 GLN 68 -9.914 -8.570 -8.620 534 2HE2 GLN 68 HE22 GLN 68 -9.798 -9.171 -10.203 535 H GLN 69 HN GLN 69 -6.421 -7.904 -5.651 536 HA GLN 69 HA GLN 69 -8.747 -9.043 -4.451 537 1HB GLN 69 HB2 GLN 69 -6.531 -10.138 -4.868 538 2HB GLN 69 HB1 GLN 69 -5.848 -9.174 -3.559 539 1HG GLN 69 HG2 GLN 69 -6.510 -10.797 -2.138 540 2HG GLN 69 HG1 GLN 69 -8.171 -10.316 -2.478 541 1HE2 GLN 69 HE21 GLN 69 -9.042 -11.327 -4.664 542 2HE2 GLN 69 HE22 GLN 69 -8.637 -12.953 -4.933 543 H LEU 70 HN LEU 70 -6.230 -6.866 -3.108 544 HA LEU 70 HA LEU 70 -7.208 -6.602 -0.459 545 1HB LEU 70 HB2 LEU 70 -5.757 -4.836 -2.428 546 2HB LEU 70 HB1 LEU 70 -6.234 -4.179 -0.864 547 HG LEU 70 HG LEU 70 -5.030 -6.775 -0.509 548 1HD1 LEU 70 HD11 LEU 70 -3.966 -5.777 -2.726 549 2HD1 LEU 70 HD12 LEU 70 -2.949 -6.547 -1.508 550 3HD1 LEU 70 HD13 LEU 70 -3.065 -4.788 -1.579 551 1HD2 LEU 70 HD21 LEU 70 -4.918 -5.450 1.373 552 2HD2 LEU 70 HD22 LEU 70 -4.727 -3.965 0.438 553 3HD2 LEU 70 HD23 LEU 70 -3.349 -5.041 0.675 554 H CYS 71 HN CYS 71 -7.971 -4.719 -3.374 555 HA CYS 71 HA CYS 71 -9.914 -2.964 -2.277 556 1HB CYS 71 HB2 CYS 71 -9.598 -4.237 -5.012 557 2HB CYS 71 HB1 CYS 71 -10.603 -2.829 -4.686 558 HG CYS 71 HG CYS 71 -7.488 -2.845 -4.384 559 H PHE 72 HN PHE 72 -10.245 -6.243 -3.668 560 HA PHE 72 HA PHE 72 -13.078 -6.407 -3.670 561 1HB PHE 72 HB2 PHE 72 -11.657 -8.073 -4.729 562 2HB PHE 72 HB1 PHE 72 -10.928 -8.490 -3.176 563 HD1 PHE 72 HD1 PHE 72 -12.185 -9.723 -1.471 564 HD2 PHE 72 HD2 PHE 72 -13.938 -8.764 -5.274 565 HE1 PHE 72 HE1 PHE 72 -14.040 -11.301 -1.014 566 HE2 PHE 72 HE2 PHE 72 -15.791 -10.347 -4.819 567 HZ PHE 72 HZ PHE 72 -15.846 -11.615 -2.687 568 H GLU 73 HN GLU 73 -10.759 -7.333 -1.122 569 HA GLU 73 HA GLU 73 -12.731 -8.127 0.813 570 1HB GLU 73 HB2 GLU 73 -9.908 -7.050 1.149 571 2HB GLU 73 HB1 GLU 73 -10.799 -8.009 2.335 572 1HG GLU 73 HG2 GLU 73 -10.223 -8.990 -0.470 573 2HG GLU 73 HG1 GLU 73 -9.157 -9.320 0.896 574 H GLY 74 HN GLY 74 -11.383 -5.040 -0.138 575 1HA GLY 74 HA2 GLY 74 -12.678 -2.995 0.343 576 2HA GLY 74 HA1 GLY 74 -13.134 -3.714 1.892 577 H VAL 75 HN VAL 75 -9.873 -4.134 0.786 578 HA VAL 75 HA VAL 75 -8.917 -2.459 3.047 579 HB VAL 75 HB VAL 75 -7.530 -4.403 1.167 580 1HG1 VAL 75 HG11 VAL 75 -6.630 -2.722 3.407 581 2HG1 VAL 75 HG12 VAL 75 -5.689 -3.501 2.134 582 3HG1 VAL 75 HG13 VAL 75 -6.181 -4.419 3.559 583 1HG2 VAL 75 HG21 VAL 75 -8.170 -5.104 3.991 584 2HG2 VAL 75 HG22 VAL 75 -8.151 -6.128 2.555 585 3HG2 VAL 75 HG23 VAL 75 -9.524 -5.065 2.861 586 H VAL 76 HN VAL 76 -8.891 -0.309 2.277 587 HA VAL 76 HA VAL 76 -7.375 0.187 -0.266 588 HB VAL 76 HB VAL 76 -9.259 2.123 1.088 589 1HG1 VAL 76 HG11 VAL 76 -9.598 2.827 -1.281 590 2HG1 VAL 76 HG12 VAL 76 -8.429 1.606 -1.784 591 3HG1 VAL 76 HG13 VAL 76 -7.914 2.958 -0.774 592 1HG2 VAL 76 HG21 VAL 76 -10.025 -0.110 -0.825 593 2HG2 VAL 76 HG22 VAL 76 -11.099 1.172 -0.267 594 3HG2 VAL 76 HG23 VAL 76 -10.480 -0.019 0.876 595 H VAL 77 HN VAL 77 -5.342 0.942 0.160 596 HA VAL 77 HA VAL 77 -4.953 2.786 2.500 597 HB VAL 77 HB VAL 77 -2.837 1.519 2.900 598 1HG1 VAL 77 HG11 VAL 77 -5.274 0.897 3.772 599 2HG1 VAL 77 HG12 VAL 77 -3.883 -0.126 4.132 600 3HG1 VAL 77 HG13 VAL 77 -4.981 -0.560 2.821 601 1HG2 VAL 77 HG21 VAL 77 -2.056 0.230 1.220 602 2HG2 VAL 77 HG22 VAL 77 -3.556 0.440 0.317 603 3HG2 VAL 77 HG23 VAL 77 -3.405 -0.873 1.485 604 HA PRO 78 HA PRO 78 -2.505 5.254 -0.228 605 1HB PRO 78 HB2 PRO 78 -0.385 5.906 1.395 606 2HB PRO 78 HB1 PRO 78 -1.990 6.646 1.564 607 1HG PRO 78 HG2 PRO 78 -0.781 4.388 3.075 608 2HG PRO 78 HG1 PRO 78 -1.697 5.771 3.690 609 1HD PRO 78 HD2 PRO 78 -2.842 3.368 3.399 610 2HD PRO 78 HD1 PRO 78 -3.737 4.864 3.038 611 H ALA 79 HN ALA 79 -2.049 3.344 -1.538 612 HA ALA 79 HA ALA 79 0.365 1.771 -0.903 613 1HB ALA 79 HB1 ALA 79 -0.508 0.312 -2.582 614 2HB ALA 79 HB2 ALA 79 -1.485 1.601 -3.288 615 3HB ALA 79 HB3 ALA 79 -1.913 0.933 -1.712 616 H ILE 80 HN ILE 80 2.322 2.222 -1.751 617 HA ILE 80 HA ILE 80 2.555 4.163 -4.001 618 HB ILE 80 HB ILE 80 4.697 2.843 -2.290 619 1HG1 ILE 80 HG12 ILE 80 3.443 5.551 -1.780 620 2HG1 ILE 80 HG11 ILE 80 2.846 4.087 -0.998 621 1HG2 ILE 80 HG21 ILE 80 4.738 5.573 -3.586 622 2HG2 ILE 80 HG22 ILE 80 5.227 4.129 -4.474 623 3HG2 ILE 80 HG23 ILE 80 6.103 4.609 -3.020 624 1HD1 ILE 80 HD11 ILE 80 4.854 3.749 0.186 625 2HD1 ILE 80 HD12 ILE 80 4.654 5.500 0.241 626 3HD1 ILE 80 HD13 ILE 80 5.779 4.778 -0.908 627 H VAL 81 HN VAL 81 2.961 3.324 -6.060 628 HA VAL 81 HA VAL 81 3.545 0.405 -6.238 629 HB VAL 81 HB VAL 81 2.524 2.429 -8.257 630 1HG1 VAL 81 HG11 VAL 81 3.290 -0.422 -8.410 631 2HG1 VAL 81 HG12 VAL 81 3.162 0.777 -9.697 632 3HG1 VAL 81 HG13 VAL 81 1.718 -0.041 -9.105 633 1HG2 VAL 81 HG21 VAL 81 0.475 0.689 -7.735 634 2HG2 VAL 81 HG22 VAL 81 0.668 2.248 -6.935 635 3HG2 VAL 81 HG23 VAL 81 1.250 0.780 -6.154 636 H VAL 82 HN VAL 82 5.445 -0.320 -7.141 637 HA VAL 82 HA VAL 82 7.371 1.763 -8.096 638 HB VAL 82 HB VAL 82 8.077 -1.042 -7.255 639 1HG1 VAL 82 HG11 VAL 82 10.204 -0.192 -7.034 640 2HG1 VAL 82 HG12 VAL 82 9.632 1.401 -6.543 641 3HG1 VAL 82 HG13 VAL 82 9.594 0.939 -8.243 642 1HG2 VAL 82 HG21 VAL 82 8.444 0.631 -5.018 643 2HG2 VAL 82 HG22 VAL 82 7.280 -0.684 -5.175 644 3HG2 VAL 82 HG23 VAL 82 6.807 0.965 -5.580 645 H GLY 83 HN GLY 83 8.638 1.281 -9.975 646 1HA GLY 83 HA2 GLY 83 9.161 0.199 -12.009 647 2HA GLY 83 HA1 GLY 83 8.146 -1.157 -11.509 648 H ASP 84 HN ASP 84 6.624 1.877 -11.214 649 HA ASP 84 HA ASP 84 4.963 1.283 -13.627 650 1HB ASP 84 HB2 ASP 84 3.288 2.628 -12.432 651 2HB ASP 84 HB1 ASP 84 3.930 1.380 -11.363 652 H ARG 85 HN ARG 85 3.839 3.861 -13.865 653 HA ARG 85 HA ARG 85 6.052 5.779 -14.274 654 1HB ARG 85 HB2 ARG 85 5.681 5.908 -16.670 655 2HB ARG 85 HB1 ARG 85 5.958 4.216 -16.252 656 1HG ARG 85 HG2 ARG 85 3.539 3.804 -16.224 657 2HG ARG 85 HG1 ARG 85 3.231 5.501 -16.587 658 1HD ARG 85 HD2 ARG 85 4.338 5.293 -18.754 659 2HD ARG 85 HD1 ARG 85 4.797 3.620 -18.387 660 HE ARG 85 HE ARG 85 2.542 2.957 -18.734 661 1HH1 ARG 85 HH11 ARG 85 2.886 6.393 -18.522 662 2HH1 ARG 85 HH12 ARG 85 1.261 6.712 -19.024 663 1HH2 ARG 85 HH21 ARG 85 0.420 3.368 -19.382 664 2HH2 ARG 85 HH22 ARG 85 -0.135 5.005 -19.508 665 H ASP 86 HN ASP 86 5.142 7.914 -15.048 666 HA ASP 86 HA ASP 86 2.265 8.228 -14.251 667 1HB ASP 86 HB2 ASP 86 4.692 9.979 -13.731 668 2HB ASP 86 HB1 ASP 86 3.037 10.439 -13.331 669 H SER 87 HN SER 87 3.729 7.972 -16.956 670 HA SER 87 HA SER 87 3.420 10.637 -18.171 671 1HB SER 87 HB2 SER 87 4.936 8.360 -18.610 672 2HB SER 87 HB1 SER 87 3.754 8.304 -19.916 673 HG SER 87 HG SER 87 4.565 10.096 -20.738 674 H GLU 88 HN GLU 88 2.057 10.859 -20.179 675 HA GLU 88 HA GLU 88 -0.647 9.803 -19.701 676 1HB GLU 88 HB2 GLU 88 -1.245 11.482 -21.339 677 2HB GLU 88 HB1 GLU 88 -0.035 12.185 -20.270 678 1HG GLU 88 HG2 GLU 88 1.727 11.645 -21.920 679 2HG GLU 88 HG1 GLU 88 0.505 10.974 -23.000 680 H ASP 89 HN ASP 89 2.003 8.577 -21.344 681 HA ASP 89 HA ASP 89 0.975 7.815 -23.884 682 1HB ASP 89 HB2 ASP 89 3.171 7.189 -22.103 683 2HB ASP 89 HB1 ASP 89 2.590 5.722 -22.892 684 HA PRO 90 HA PRO 90 -2.144 5.034 -22.280 685 1HB PRO 90 HB2 PRO 90 -3.499 4.777 -24.633 686 2HB PRO 90 HB1 PRO 90 -3.661 6.198 -23.583 687 1HG PRO 90 HG2 PRO 90 -2.218 5.893 -26.134 688 2HG PRO 90 HG1 PRO 90 -2.948 7.333 -25.412 689 1HD PRO 90 HD2 PRO 90 -0.218 6.668 -25.435 690 2HD PRO 90 HD1 PRO 90 -0.987 7.953 -24.479 691 H ASP 91 HN ASP 91 -0.015 4.586 -25.023 692 HA ASP 91 HA ASP 91 -0.583 1.992 -25.897 693 1HB ASP 91 HB2 ASP 91 1.981 3.526 -25.438 694 2HB ASP 91 HB1 ASP 91 1.986 1.934 -26.196 695 H GLU 92 HN GLU 92 1.049 3.017 -22.928 696 HA GLU 92 HA GLU 92 1.655 0.222 -22.190 697 1HB GLU 92 HB2 GLU 92 2.196 2.958 -21.022 698 2HB GLU 92 HB1 GLU 92 2.656 1.471 -20.188 699 1HG GLU 92 HG2 GLU 92 4.567 2.207 -21.475 700 2HG GLU 92 HG1 GLU 92 3.900 0.786 -22.277 701 HA PRO 93 HA PRO 93 -2.079 -0.093 -19.842 702 1HB PRO 93 HB2 PRO 93 -1.481 -2.472 -18.619 703 2HB PRO 93 HB1 PRO 93 -1.966 -2.361 -20.318 704 1HG PRO 93 HG2 PRO 93 0.732 -2.714 -19.137 705 2HG PRO 93 HG1 PRO 93 0.050 -3.391 -20.623 706 1HD PRO 93 HD2 PRO 93 1.774 -1.251 -20.529 707 2HD PRO 93 HD1 PRO 93 0.653 -1.588 -21.864 708 H ALA 94 HN ALA 94 -1.920 -1.437 -17.237 709 HA ALA 94 HA ALA 94 -1.503 -0.865 -14.979 710 1HB ALA 94 HB1 ALA 94 0.899 -0.988 -16.448 711 2HB ALA 94 HB2 ALA 94 0.738 -1.074 -14.694 712 3HB ALA 94 HB3 ALA 94 1.028 0.478 -15.478 713 H LYS 95 HN LYS 95 -3.124 0.954 -16.329 714 HA LYS 95 HA LYS 95 -2.030 3.650 -15.652 715 1HB LYS 95 HB2 LYS 95 -2.825 3.232 -17.949 716 2HB LYS 95 HB1 LYS 95 -4.401 2.748 -17.316 717 1HG LYS 95 HG2 LYS 95 -4.691 4.993 -16.327 718 2HG LYS 95 HG1 LYS 95 -3.125 5.477 -16.976 719 1HD LYS 95 HD2 LYS 95 -4.825 6.262 -18.500 720 2HD LYS 95 HD1 LYS 95 -3.982 4.917 -19.273 721 1HE LYS 95 HE2 LYS 95 -6.335 4.521 -19.613 722 2HE LYS 95 HE1 LYS 95 -5.840 3.409 -18.322 723 1HZ LYS 95 HZ1 LYS 95 -7.845 5.173 -18.074 724 2HZ LYS 95 HZ2 LYS 95 -6.550 6.075 -17.445 725 3HZ LYS 95 HZ3 LYS 95 -6.948 4.569 -16.767 726 H GLU 96 HN GLU 96 -2.487 3.788 -13.418 727 HA GLU 96 HA GLU 96 -3.836 4.089 -11.492 728 1HB GLU 96 HB2 GLU 96 -6.036 4.692 -13.468 729 2HB GLU 96 HB1 GLU 96 -5.681 5.499 -11.943 730 1HG GLU 96 HG2 GLU 96 -3.678 6.515 -12.878 731 2HG GLU 96 HG1 GLU 96 -3.864 5.593 -14.371 732 H GLN 97 HN GLN 97 -3.884 1.399 -12.947 733 HA GLN 97 HA GLN 97 -6.560 0.451 -11.964 734 1HB GLN 97 HB2 GLN 97 -6.415 -1.208 -13.750 735 2HB GLN 97 HB1 GLN 97 -6.129 0.391 -14.441 736 1HG GLN 97 HG2 GLN 97 -3.762 0.043 -14.508 737 2HG GLN 97 HG1 GLN 97 -3.880 -1.406 -13.507 738 1HE2 GLN 97 HE21 GLN 97 -2.722 -2.484 -15.395 739 2HE2 GLN 97 HE22 GLN 97 -3.653 -3.011 -16.714 740 H LEU 98 HN LEU 98 -3.165 0.245 -11.582 741 HA LEU 98 HA LEU 98 -2.788 -2.455 -10.764 742 1HB LEU 98 HB2 LEU 98 -1.497 0.131 -9.815 743 2HB LEU 98 HB1 LEU 98 -0.812 -1.482 -9.611 744 HG LEU 98 HG LEU 98 -1.415 -0.128 -12.255 745 1HD1 LEU 98 HD11 LEU 98 0.598 0.676 -10.935 746 2HD1 LEU 98 HD12 LEU 98 0.968 0.008 -12.524 747 3HD1 LEU 98 HD13 LEU 98 1.247 -0.958 -11.076 748 1HD2 LEU 98 HD21 LEU 98 0.003 -2.204 -13.008 749 2HD2 LEU 98 HD22 LEU 98 -1.721 -2.412 -12.692 750 3HD2 LEU 98 HD23 LEU 98 -0.537 -2.893 -11.478 751 H TYR 99 HN TYR 99 -3.920 0.434 -9.114 752 HA TYR 99 HA TYR 99 -5.086 -1.248 -6.986 753 1HB TYR 99 HB2 TYR 99 -2.658 -0.332 -6.535 754 2HB TYR 99 HB1 TYR 99 -3.483 1.201 -6.266 755 HD1 TYR 99 HD1 TYR 99 -6.070 -0.465 -5.260 756 HD2 TYR 99 HD2 TYR 99 -1.926 -0.269 -4.140 757 HE1 TYR 99 HE1 TYR 99 -6.650 -1.188 -2.961 758 HE2 TYR 99 HE2 TYR 99 -2.509 -0.988 -1.846 759 HH TYR 99 HH TYR 99 -4.961 -2.485 -0.954 760 H HIS 100 HN HIS 100 -5.304 1.567 -5.585 761 HA HIS 100 HA HIS 100 -7.781 2.316 -7.056 762 1HB HIS 100 HB2 HIS 100 -8.043 3.774 -4.944 763 2HB HIS 100 HB1 HIS 100 -8.137 2.028 -4.735 764 HD2 HIS 100 HD2 HIS 100 -6.512 1.206 -2.657 765 HE1 HIS 100 HE1 HIS 100 -3.620 4.288 -2.890 766 HE2 HIS 100 HE2 HIS 100 -4.362 2.236 -1.635 767 H SER 101 HN SER 101 -8.167 4.844 -6.911 768 HA SER 101 HA SER 101 -6.203 6.098 -8.611 769 1HB SER 101 HB2 SER 101 -8.791 6.413 -8.262 770 2HB SER 101 HB1 SER 101 -8.298 7.559 -7.019 771 HG SER 101 HG SER 101 -7.002 8.573 -8.661 772 H ALA 102 HN ALA 102 -6.279 5.681 -5.225 773 HA ALA 102 HA ALA 102 -4.847 8.202 -4.642 774 1HB ALA 102 HB1 ALA 102 -4.989 7.179 -2.294 775 2HB ALA 102 HB2 ALA 102 -5.938 5.889 -3.034 776 3HB ALA 102 HB3 ALA 102 -6.520 7.552 -3.083 777 H GLU 103 HN GLU 103 -4.056 4.933 -5.436 778 HA GLU 103 HA GLU 103 -1.705 4.441 -3.969 779 1HB GLU 103 HB2 GLU 103 -1.197 2.936 -5.795 780 2HB GLU 103 HB1 GLU 103 -2.953 2.968 -5.612 781 1HG GLU 103 HG2 GLU 103 -3.156 4.565 -7.441 782 2HG GLU 103 HG1 GLU 103 -1.402 4.672 -7.585 783 H LEU 104 HN LEU 104 0.430 5.169 -4.173 784 HA LEU 104 HA LEU 104 0.883 7.489 -6.002 785 1HB LEU 104 HB2 LEU 104 1.730 6.607 -3.320 786 2HB LEU 104 HB1 LEU 104 3.054 7.241 -4.298 787 HG LEU 104 HG LEU 104 1.657 9.269 -4.777 788 1HD1 LEU 104 HD11 LEU 104 -0.282 9.638 -3.200 789 2HD1 LEU 104 HD12 LEU 104 -0.166 7.935 -2.759 790 3HD1 LEU 104 HD13 LEU 104 -0.564 8.390 -4.414 791 1HD2 LEU 104 HD21 LEU 104 2.958 10.019 -3.088 792 2HD2 LEU 104 HD22 LEU 104 2.857 8.473 -2.243 793 3HD2 LEU 104 HD23 LEU 104 1.601 9.689 -2.012 794 H HIS 105 HN HIS 105 2.963 7.516 -7.215 795 HA HIS 105 HA HIS 105 3.874 4.737 -7.865 796 1HB HIS 105 HB2 HIS 105 3.803 7.312 -9.460 797 2HB HIS 105 HB1 HIS 105 4.459 5.793 -10.060 798 HD1 HIS 105 HD1 HIS 105 1.964 7.126 -11.390 799 HD2 HIS 105 HD2 HIS 105 1.770 4.160 -8.471 800 HE1 HIS 105 HE1 HIS 105 -0.309 6.040 -11.629 801 H LEU 106 HN LEU 106 6.069 4.276 -7.785 802 HA LEU 106 HA LEU 106 7.953 6.517 -7.130 803 1HB LEU 106 HB2 LEU 106 7.492 5.449 -5.059 804 2HB LEU 106 HB1 LEU 106 7.490 3.845 -5.798 805 HG LEU 106 HG LEU 106 9.894 3.983 -6.195 806 1HD1 LEU 106 HD11 LEU 106 10.060 6.556 -4.674 807 2HD1 LEU 106 HD12 LEU 106 9.662 6.610 -6.389 808 3HD1 LEU 106 HD13 LEU 106 11.177 5.881 -5.858 809 1HD2 LEU 106 HD21 LEU 106 9.770 3.073 -4.102 810 2HD2 LEU 106 HD22 LEU 106 8.748 4.374 -3.489 811 3HD2 LEU 106 HD23 LEU 106 10.491 4.612 -3.623 812 H GLY 107 HN GLY 107 9.931 6.390 -8.182 813 1HA GLY 107 HA2 GLY 107 10.239 4.598 -10.406 814 2HA GLY 107 HA1 GLY 107 11.484 5.679 -9.786 815 H ILE 108 HN ILE 108 11.612 2.781 -10.603 816 HA ILE 108 HA ILE 108 11.847 1.004 -8.459 817 HB ILE 108 HB ILE 108 13.452 1.349 -11.000 818 1HG1 ILE 108 HG12 ILE 108 11.028 -0.381 -10.425 819 2HG1 ILE 108 HG11 ILE 108 10.953 1.179 -11.242 820 1HG2 ILE 108 HG21 ILE 108 13.831 -0.425 -8.853 821 2HG2 ILE 108 HG22 ILE 108 14.573 -0.498 -10.451 822 3HG2 ILE 108 HG23 ILE 108 13.066 -1.358 -10.136 823 1HD1 ILE 108 HD11 ILE 108 11.954 -1.427 -12.240 824 2HD1 ILE 108 HD12 ILE 108 12.895 -0.010 -12.707 825 3HD1 ILE 108 HD13 ILE 108 11.181 -0.108 -13.118 826 H HIS 109 HN HIS 109 14.328 3.250 -9.752 827 HA HIS 109 HA HIS 109 16.250 2.428 -7.661 828 1HB HIS 109 HB2 HIS 109 16.217 3.889 -10.216 829 2HB HIS 109 HB1 HIS 109 17.311 4.582 -9.018 830 HD1 HIS 109 HD1 HIS 109 16.660 0.914 -8.901 831 HD2 HIS 109 HD2 HIS 109 19.569 3.479 -10.425 832 HE1 HIS 109 HE1 HIS 109 18.638 -0.537 -9.522 833 H GLN 110 HN GLN 110 13.607 4.336 -7.585 834 HA GLN 110 HA GLN 110 14.894 6.481 -5.943 835 1HB GLN 110 HB2 GLN 110 12.195 6.247 -7.313 836 2HB GLN 110 HB1 GLN 110 12.702 7.638 -6.354 837 1HG GLN 110 HG2 GLN 110 14.677 7.886 -7.885 838 2HG GLN 110 HG1 GLN 110 13.995 6.612 -8.897 839 1HE2 GLN 110 HE21 GLN 110 12.316 7.199 -10.349 840 2HE2 GLN 110 HE22 GLN 110 11.632 8.750 -10.420 841 H LEU 111 HN LEU 111 14.237 3.650 -5.093 842 HA LEU 111 HA LEU 111 11.939 3.454 -3.473 843 1HB LEU 111 HB2 LEU 111 14.751 2.389 -3.102 844 2HB LEU 111 HB1 LEU 111 13.335 1.776 -2.247 845 HG LEU 111 HG LEU 111 13.713 1.802 -5.256 846 1HD1 LEU 111 HD11 LEU 111 13.715 -0.459 -3.233 847 2HD1 LEU 111 HD12 LEU 111 15.123 0.145 -4.105 848 3HD1 LEU 111 HD13 LEU 111 13.822 -0.655 -4.984 849 1HD2 LEU 111 HD21 LEU 111 11.447 1.690 -5.259 850 2HD2 LEU 111 HD22 LEU 111 11.387 1.478 -3.511 851 3HD2 LEU 111 HD23 LEU 111 11.631 0.082 -4.560 852 H GLU 112 HN GLU 112 15.023 5.034 -2.823 853 HA GLU 112 HA GLU 112 14.812 5.408 -0.016 854 1HB GLU 112 HB2 GLU 112 16.490 7.094 -0.404 855 2HB GLU 112 HB1 GLU 112 16.735 5.851 -1.632 856 1HG GLU 112 HG2 GLU 112 15.026 7.356 -2.999 857 2HG GLU 112 HG1 GLU 112 15.640 8.616 -1.930 858 H GLN 113 HN GLN 113 12.882 6.723 -2.540 859 HA GLN 113 HA GLN 113 12.079 9.175 -1.103 860 1HB GLN 113 HB2 GLN 113 11.284 7.765 -3.655 861 2HB GLN 113 HB1 GLN 113 10.538 9.270 -3.125 862 1HG GLN 113 HG2 GLN 113 12.653 10.425 -3.186 863 2HG GLN 113 HG1 GLN 113 13.519 8.915 -3.476 864 1HE2 GLN 113 HE21 GLN 113 14.307 10.089 -5.493 865 2HE2 GLN 113 HE22 GLN 113 13.317 10.067 -6.871 866 H LEU 114 HN LEU 114 11.267 5.911 -0.934 867 HA LEU 114 HA LEU 114 8.499 5.731 -0.801 868 1HB LEU 114 HB2 LEU 114 10.822 4.440 0.506 869 2HB LEU 114 HB1 LEU 114 9.238 4.115 1.214 870 HG LEU 114 HG LEU 114 9.502 3.972 -1.754 871 1HD1 LEU 114 HD11 LEU 114 11.187 2.467 -1.577 872 2HD1 LEU 114 HD12 LEU 114 9.944 1.373 -0.970 873 3HD1 LEU 114 HD13 LEU 114 10.953 2.277 0.161 874 1HD2 LEU 114 HD21 LEU 114 7.364 3.361 -1.318 875 2HD2 LEU 114 HD22 LEU 114 7.705 3.096 0.391 876 3HD2 LEU 114 HD23 LEU 114 8.048 1.827 -0.784 877 HA PRO 115 HA PRO 115 8.552 7.184 3.781 878 1HB PRO 115 HB2 PRO 115 10.542 8.946 4.474 879 2HB PRO 115 HB1 PRO 115 10.651 7.194 4.738 880 1HG PRO 115 HG2 PRO 115 11.792 8.840 2.525 881 2HG PRO 115 HG1 PRO 115 12.535 7.517 3.442 882 1HD PRO 115 HD2 PRO 115 11.535 7.139 0.983 883 2HD PRO 115 HD1 PRO 115 11.428 5.875 2.224 884 H TYR 116 HN TYR 116 10.075 9.498 1.511 885 HA TYR 116 HA TYR 116 8.353 11.689 2.273 886 1HB TYR 116 HB2 TYR 116 9.882 12.746 0.969 887 2HB TYR 116 HB1 TYR 116 10.608 11.180 0.648 888 HD1 TYR 116 HD1 TYR 116 11.021 10.788 -1.579 889 HD2 TYR 116 HD2 TYR 116 7.498 12.983 -0.483 890 HE1 TYR 116 HE1 TYR 116 10.408 10.989 -3.975 891 HE2 TYR 116 HE2 TYR 116 6.879 13.177 -2.880 892 HH TYR 116 HH TYR 116 8.953 12.705 -5.360 893 H GLN 117 HN GLN 117 8.185 9.096 -0.103 894 HA GLN 117 HA GLN 117 5.765 10.021 -1.402 895 1HB GLN 117 HB2 GLN 117 7.093 7.308 -1.128 896 2HB GLN 117 HB1 GLN 117 5.808 7.681 -2.271 897 1HG GLN 117 HG2 GLN 117 7.920 9.656 -2.445 898 2HG GLN 117 HG1 GLN 117 8.578 8.036 -2.658 899 1HE2 GLN 117 HE21 GLN 117 6.821 10.556 -4.222 900 2HE2 GLN 117 HE22 GLN 117 6.389 9.688 -5.615 901 H VAL 118 HN VAL 118 6.533 7.820 1.256 902 HA VAL 118 HA VAL 118 3.945 6.771 1.793 903 HB VAL 118 HB VAL 118 6.505 7.240 3.286 904 1HG1 VAL 118 HG11 VAL 118 5.334 7.628 5.216 905 2HG1 VAL 118 HG12 VAL 118 5.089 5.882 5.174 906 3HG1 VAL 118 HG13 VAL 118 3.836 6.965 4.563 907 1HG2 VAL 118 HG21 VAL 118 6.341 4.792 3.569 908 2HG2 VAL 118 HG22 VAL 118 6.163 5.239 1.873 909 3HG2 VAL 118 HG23 VAL 118 4.742 4.812 2.825 910 H ASP 119 HN ASP 119 5.572 9.612 3.332 911 HA ASP 119 HA ASP 119 3.281 10.434 4.839 912 1HB ASP 119 HB2 ASP 119 5.695 11.863 3.686 913 2HB ASP 119 HB1 ASP 119 4.534 12.673 4.740 914 H ALA 120 HN ALA 120 4.390 11.242 1.552 915 HA ALA 120 HA ALA 120 2.292 13.129 0.945 916 1HB ALA 120 HB1 ALA 120 3.001 12.530 -1.421 917 2HB ALA 120 HB2 ALA 120 4.046 11.292 -0.726 918 3HB ALA 120 HB3 ALA 120 4.337 12.995 -0.369 919 H ALA 121 HN ALA 121 2.682 9.632 0.503 920 HA ALA 121 HA ALA 121 0.226 9.146 -0.890 921 1HB ALA 121 HB1 ALA 121 1.737 7.391 -1.007 922 2HB ALA 121 HB2 ALA 121 0.772 6.819 0.349 923 3HB ALA 121 HB3 ALA 121 2.301 7.638 0.645 924 H LEU 122 HN LEU 122 1.043 9.402 2.544 925 HA LEU 122 HA LEU 122 -1.413 8.325 3.572 926 1HB LEU 122 HB2 LEU 122 0.633 10.311 4.622 927 2HB LEU 122 HB1 LEU 122 -0.672 9.650 5.609 928 HG LEU 122 HG LEU 122 1.123 7.782 4.089 929 1HD1 LEU 122 HD11 LEU 122 2.209 7.812 6.606 930 2HD1 LEU 122 HD12 LEU 122 1.876 9.526 6.348 931 3HD1 LEU 122 HD13 LEU 122 2.897 8.643 5.213 932 1HD2 LEU 122 HD21 LEU 122 -0.437 6.461 5.105 933 2HD2 LEU 122 HD22 LEU 122 -0.855 7.698 6.291 934 3HD2 LEU 122 HD23 LEU 122 0.573 6.692 6.532 935 H ALA 123 HN ALA 123 -0.389 11.762 3.239 936 HA ALA 123 HA ALA 123 -2.993 12.818 3.808 937 1HB ALA 123 HB1 ALA 123 -1.591 14.584 3.896 938 2HB ALA 123 HB2 ALA 123 -1.611 14.608 2.132 939 3HB ALA 123 HB3 ALA 123 -0.356 13.712 2.993 940 H GLU 124 HN GLU 124 -1.405 11.825 0.784 941 HA GLU 124 HA GLU 124 -3.395 12.870 -1.005 942 1HB GLU 124 HB2 GLU 124 -1.030 12.038 -1.482 943 2HB GLU 124 HB1 GLU 124 -1.678 10.401 -1.367 944 1HG GLU 124 HG2 GLU 124 -1.633 11.179 -3.714 945 2HG GLU 124 HG1 GLU 124 -3.286 10.897 -3.164 946 H PHE 125 HN PHE 125 -3.069 9.734 0.702 947 HA PHE 125 HA PHE 125 -5.339 8.501 -0.588 948 1HB PHE 125 HB2 PHE 125 -3.451 7.379 0.657 949 2HB PHE 125 HB1 PHE 125 -4.169 7.961 2.159 950 HD1 PHE 125 HD1 PHE 125 -6.255 7.038 3.007 951 HD2 PHE 125 HD2 PHE 125 -4.617 5.693 -0.730 952 HE1 PHE 125 HE1 PHE 125 -7.835 5.132 3.000 953 HE2 PHE 125 HE2 PHE 125 -6.198 3.786 -0.736 954 HZ PHE 125 HZ PHE 125 -7.811 3.507 1.126 955 H LEU 126 HN LEU 126 -5.005 10.509 2.352 956 HA LEU 126 HA LEU 126 -7.667 10.088 3.348 957 1HB LEU 126 HB2 LEU 126 -5.783 12.467 3.556 958 2HB LEU 126 HB1 LEU 126 -7.174 12.180 4.598 959 HG LEU 126 HG LEU 126 -4.773 10.363 4.319 960 1HD1 LEU 126 HD11 LEU 126 -5.727 12.116 6.601 961 2HD1 LEU 126 HD12 LEU 126 -4.290 12.391 5.616 962 3HD1 LEU 126 HD13 LEU 126 -4.371 10.990 6.685 963 1HD2 LEU 126 HD21 LEU 126 -6.698 9.004 4.719 964 2HD2 LEU 126 HD22 LEU 126 -7.337 10.146 5.901 965 3HD2 LEU 126 HD23 LEU 126 -5.897 9.200 6.279 966 H ARG 127 HN ARG 127 -6.273 12.528 1.162 967 HA ARG 127 HA ARG 127 -8.638 14.080 0.728 968 1HB ARG 127 HB2 ARG 127 -6.203 14.548 0.122 969 2HB ARG 127 HB1 ARG 127 -6.407 13.425 -1.222 970 1HG ARG 127 HG2 ARG 127 -8.321 14.827 -2.030 971 2HG ARG 127 HG1 ARG 127 -7.942 15.997 -0.764 972 1HD ARG 127 HD2 ARG 127 -5.623 16.195 -1.692 973 2HD ARG 127 HD1 ARG 127 -6.109 15.129 -3.024 974 HE ARG 127 HE ARG 127 -8.078 17.067 -3.008 975 1HH1 ARG 127 HH11 ARG 127 -4.622 17.068 -3.047 976 2HH1 ARG 127 HH12 ARG 127 -4.505 18.512 -3.994 977 1HH2 ARG 127 HH21 ARG 127 -7.933 18.948 -4.250 978 2HH2 ARG 127 HH22 ARG 127 -6.375 19.573 -4.675 979 H LEU 128 HN LEU 128 -7.248 11.301 -1.003 980 HA LEU 128 HA LEU 128 -9.445 11.030 -2.894 981 1HB LEU 128 HB2 LEU 128 -6.822 10.145 -2.567 982 2HB LEU 128 HB1 LEU 128 -7.781 8.685 -2.335 983 HG LEU 128 HG LEU 128 -7.441 8.701 -4.653 984 1HD1 LEU 128 HD11 LEU 128 -9.582 8.715 -5.431 985 2HD1 LEU 128 HD12 LEU 128 -9.872 10.368 -4.891 986 3HD1 LEU 128 HD13 LEU 128 -9.985 9.034 -3.744 987 1HD2 LEU 128 HD21 LEU 128 -7.065 11.505 -4.221 988 2HD2 LEU 128 HD22 LEU 128 -8.229 11.299 -5.527 989 3HD2 LEU 128 HD23 LEU 128 -6.636 10.551 -5.642 990 H ALA 129 HN ALA 129 -8.693 9.854 0.317 991 HA ALA 129 HA ALA 129 -10.592 7.664 0.333 992 1HB ALA 129 HB1 ALA 129 -9.106 9.212 2.453 993 2HB ALA 129 HB2 ALA 129 -8.692 7.630 1.793 994 3HB ALA 129 HB3 ALA 129 -10.118 7.814 2.814 995 HA PRO 130 HA PRO 130 -12.114 6.662 1.154 996 1HB PRO 130 HB2 PRO 130 -14.607 6.219 0.112 997 2HB PRO 130 HB1 PRO 130 -14.298 6.355 1.855 998 1HG PRO 130 HG2 PRO 130 -15.386 8.378 -0.034 999 2HG PRO 130 HG1 PRO 130 -15.841 8.034 1.640 1000 1HD PRO 130 HD2 PRO 130 -14.268 10.134 0.912 1001 2HD PRO 130 HD1 PRO 130 -14.180 9.344 2.501 1002 H VAL 131 HN VAL 131 -10.913 6.111 -0.622 1003 HA VAL 131 HA VAL 131 -11.443 7.420 -3.218 1004 HB VAL 131 HB VAL 131 -9.163 7.351 -2.698 1005 1HG1 VAL 131 HG11 VAL 131 -9.805 4.671 -1.529 1006 2HG1 VAL 131 HG12 VAL 131 -8.896 6.009 -0.826 1007 3HG1 VAL 131 HG13 VAL 131 -8.153 4.986 -2.055 1008 1HG2 VAL 131 HG21 VAL 131 -9.535 4.795 -4.280 1009 2HG2 VAL 131 HG22 VAL 131 -8.128 5.858 -4.294 1010 3HG2 VAL 131 HG23 VAL 131 -9.658 6.414 -4.968 1011 H GLU 132 HN GLU 132 -11.459 6.021 -5.180 1012 HA GLU 132 HA GLU 132 -13.319 3.745 -4.749 1013 1HB GLU 132 HB2 GLU 132 -12.430 5.337 -7.173 1014 2HB GLU 132 HB1 GLU 132 -13.652 4.064 -7.215 1015 1HG GLU 132 HG2 GLU 132 -14.966 5.339 -5.505 1016 2HG GLU 132 HG1 GLU 132 -13.782 6.641 -5.622 1017 H THR 133 HN THR 133 -12.597 1.666 -4.924 1018 HA THR 133 HA THR 133 -9.900 1.200 -6.126 1019 HB THR 133 HB THR 133 -10.397 -1.057 -4.857 1020 HG1 THR 133 HG1 THR 133 -11.903 0.567 -3.192 1021 1HG2 THR 133 HG21 THR 133 -9.653 0.103 -2.701 1022 2HG2 THR 133 HG22 THR 133 -9.757 1.612 -3.608 1023 3HG2 THR 133 HG23 THR 133 -8.634 0.352 -4.118 1024 H MET 134 HN MET 134 -10.568 1.077 -8.351 1025 HA MET 134 HA MET 134 -12.778 -0.635 -9.187 1026 1HB MET 134 HB2 MET 134 -10.596 0.985 -10.470 1027 2HB MET 134 HB1 MET 134 -11.544 -0.128 -11.456 1028 1HG MET 134 HG2 MET 134 -13.611 0.994 -10.388 1029 2HG MET 134 HG1 MET 134 -12.495 2.268 -9.896 1030 1HE MET 134 HE1 MET 134 -13.576 -0.049 -12.454 1031 2HE MET 134 HE2 MET 134 -13.252 0.647 -14.040 1032 3HE MET 134 HE3 MET 134 -14.703 1.116 -13.160 1033 H ALA 135 HN ALA 135 -11.240 -2.318 -7.659 1034 HA ALA 135 HA ALA 135 -9.060 -3.711 -8.649 1035 1HB ALA 135 HB1 ALA 135 -10.865 -5.678 -7.804 1036 2HB ALA 135 HB2 ALA 135 -11.397 -4.210 -6.984 1037 3HB ALA 135 HB3 ALA 135 -9.742 -4.786 -6.777 Start of MODEL 21 1 1H MET 1 HT1 MET 1 7.764 11.688 16.991 2 2H MET 1 HT2 MET 1 7.623 11.156 18.597 3 3H MET 1 HT3 MET 1 8.443 12.602 18.247 4 HA MET 1 HA MET 1 6.275 13.146 19.114 5 1HB MET 1 HB2 MET 1 7.194 14.621 17.466 6 2HB MET 1 HB1 MET 1 6.798 13.507 16.157 7 1HG MET 1 HG2 MET 1 4.438 13.888 16.442 8 2HG MET 1 HG1 MET 1 4.710 14.797 17.929 9 1HE MET 1 HE1 MET 1 5.780 16.826 18.212 10 2HE MET 1 HE2 MET 1 6.100 18.084 17.022 11 3HE MET 1 HE3 MET 1 7.237 16.752 17.212 12 H LEU 2 HN LEU 2 5.906 11.386 15.999 13 HA LEU 2 HA LEU 2 3.121 10.688 16.769 14 1HB LEU 2 HB2 LEU 2 3.863 11.639 14.519 15 2HB LEU 2 HB1 LEU 2 4.636 10.083 14.215 16 HG LEU 2 HG LEU 2 2.026 9.507 15.137 17 1HD1 LEU 2 HD11 LEU 2 0.672 10.709 13.415 18 2HD1 LEU 2 HD12 LEU 2 2.093 11.677 13.022 19 3HD1 LEU 2 HD13 LEU 2 1.361 11.794 14.624 20 1HD2 LEU 2 HD21 LEU 2 3.666 8.487 13.322 21 2HD2 LEU 2 HD22 LEU 2 2.740 9.510 12.224 22 3HD2 LEU 2 HD23 LEU 2 1.923 8.267 13.170 23 H SER 3 HN SER 3 2.574 8.643 17.439 24 HA SER 3 HA SER 3 4.228 6.730 18.475 25 1HB SER 3 HB2 SER 3 1.737 6.176 16.838 26 2HB SER 3 HB1 SER 3 2.357 5.201 18.167 27 HG SER 3 HG SER 3 0.681 7.183 18.320 28 H GLN 4 HN GLN 4 2.748 5.228 15.708 29 HA GLN 4 HA GLN 4 5.301 5.122 14.223 30 1HB GLN 4 HB2 GLN 4 3.937 2.721 15.474 31 2HB GLN 4 HB1 GLN 4 5.320 2.637 14.382 32 1HG GLN 4 HG2 GLN 4 6.485 4.244 16.024 33 2HG GLN 4 HG1 GLN 4 5.197 3.827 17.153 34 1HE2 GLN 4 HE21 GLN 4 7.645 3.071 18.022 35 2HE2 GLN 4 HE22 GLN 4 7.903 1.405 17.817 36 H ILE 5 HN ILE 5 5.049 4.069 12.130 37 HA ILE 5 HA ILE 5 2.260 4.279 11.078 38 HB ILE 5 HB ILE 5 4.990 4.436 9.759 39 1HG1 ILE 5 HG12 ILE 5 3.031 6.672 10.342 40 2HG1 ILE 5 HG11 ILE 5 4.413 6.293 11.370 41 1HG2 ILE 5 HG21 ILE 5 2.542 5.532 8.483 42 2HG2 ILE 5 HG22 ILE 5 2.703 3.777 8.526 43 3HG2 ILE 5 HG23 ILE 5 3.942 4.749 7.750 44 1HD1 ILE 5 HD11 ILE 5 4.702 6.837 8.411 45 2HD1 ILE 5 HD12 ILE 5 5.973 6.790 9.635 46 3HD1 ILE 5 HD13 ILE 5 4.807 8.112 9.625 47 H ALA 6 HN ALA 6 1.333 2.397 10.245 48 HA ALA 6 HA ALA 6 2.968 -0.078 10.281 49 1HB ALA 6 HB1 ALA 6 0.516 -0.912 9.657 50 2HB ALA 6 HB2 ALA 6 0.075 0.685 10.265 51 3HB ALA 6 HB3 ALA 6 0.925 -0.454 11.309 52 H ILE 7 HN ILE 7 4.062 -0.480 8.403 53 HA ILE 7 HA ILE 7 2.617 0.111 5.843 54 HB ILE 7 HB ILE 7 5.564 0.217 6.546 55 1HG1 ILE 7 HG12 ILE 7 3.506 2.346 5.880 56 2HG1 ILE 7 HG11 ILE 7 4.283 2.091 7.443 57 1HG2 ILE 7 HG21 ILE 7 4.416 1.231 3.970 58 2HG2 ILE 7 HG22 ILE 7 4.716 -0.500 4.131 59 3HG2 ILE 7 HG23 ILE 7 6.043 0.647 4.315 60 1HD1 ILE 7 HD11 ILE 7 5.356 3.934 6.188 61 2HD1 ILE 7 HD12 ILE 7 5.719 2.814 4.875 62 3HD1 ILE 7 HD13 ILE 7 6.472 2.593 6.454 63 H CYS 8 HN CYS 8 2.242 -1.644 4.606 64 HA CYS 8 HA CYS 8 3.727 -4.172 5.221 65 1HB CYS 8 HB2 CYS 8 1.314 -4.261 5.585 66 2HB CYS 8 HB1 CYS 8 1.014 -3.570 3.992 67 HG CYS 8 HG CYS 8 1.579 -5.773 2.895 68 H ILE 9 HN ILE 9 5.029 -4.989 3.557 69 HA ILE 9 HA ILE 9 4.688 -3.697 0.868 70 HB ILE 9 HB ILE 9 6.657 -2.921 2.093 71 1HG1 ILE 9 HG12 ILE 9 6.662 -3.615 -0.458 72 2HG1 ILE 9 HG11 ILE 9 8.174 -3.179 0.331 73 1HG2 ILE 9 HG21 ILE 9 8.456 -4.786 2.481 74 2HG2 ILE 9 HG22 ILE 9 7.073 -5.881 2.436 75 3HG2 ILE 9 HG23 ILE 9 7.148 -4.607 3.651 76 1HD1 ILE 9 HD11 ILE 9 7.687 -5.530 -1.050 77 2HD1 ILE 9 HD12 ILE 9 7.512 -6.022 0.633 78 3HD1 ILE 9 HD13 ILE 9 9.008 -5.266 0.084 79 H TRP 10 HN TRP 10 5.146 -5.012 -0.947 80 HA TRP 10 HA TRP 10 5.278 -7.956 -0.378 81 1HB TRP 10 HB2 TRP 10 3.043 -7.352 -1.142 82 2HB TRP 10 HB1 TRP 10 3.721 -6.442 -2.495 83 HD1 TRP 10 HD1 TRP 10 5.544 -9.597 -1.696 84 HE1 TRP 10 HE1 TRP 10 5.074 -11.377 -3.497 85 HE3 TRP 10 HE3 TRP 10 1.682 -7.345 -4.167 86 HZ2 TRP 10 HZ2 TRP 10 3.287 -11.796 -5.689 87 HZ3 TRP 10 HZ3 TRP 10 0.625 -8.460 -6.106 88 HH2 TRP 10 HH2 TRP 10 1.413 -10.680 -6.869 89 H VAL 11 HN VAL 11 7.141 -8.768 -1.212 90 HA VAL 11 HA VAL 11 8.024 -8.007 -3.891 91 HB VAL 11 HB VAL 11 8.735 -6.111 -2.469 92 1HG1 VAL 11 HG11 VAL 11 10.309 -6.444 -0.657 93 2HG1 VAL 11 HG12 VAL 11 10.357 -8.176 -0.977 94 3HG1 VAL 11 HG13 VAL 11 8.879 -7.436 -0.362 95 1HG2 VAL 11 HG21 VAL 11 10.156 -6.705 -4.348 96 2HG2 VAL 11 HG22 VAL 11 10.962 -7.942 -3.388 97 3HG2 VAL 11 HG23 VAL 11 11.174 -6.240 -2.985 98 H GLU 12 HN GLU 12 8.761 -9.925 -4.674 99 HA GLU 12 HA GLU 12 9.393 -12.157 -2.915 100 1HB GLU 12 HB2 GLU 12 9.520 -11.689 -5.902 101 2HB GLU 12 HB1 GLU 12 9.803 -13.260 -5.152 102 1HG GLU 12 HG2 GLU 12 7.534 -13.001 -4.035 103 2HG GLU 12 HG1 GLU 12 7.267 -11.608 -5.083 104 H SER 13 HN SER 13 11.254 -9.581 -4.195 105 HA SER 13 HA SER 13 13.802 -11.143 -4.025 106 1HB SER 13 HB2 SER 13 13.158 -9.704 -6.026 107 2HB SER 13 HB1 SER 13 13.294 -8.306 -4.971 108 HG SER 13 HG SER 13 15.409 -10.133 -5.029 109 H THR 14 HN THR 14 15.013 -10.916 -2.147 110 HA THR 14 HA THR 14 14.200 -9.199 0.013 111 HB THR 14 HB THR 14 17.015 -10.153 -0.262 112 HG1 THR 14 HG1 THR 14 16.172 -11.956 -1.030 113 1HG2 THR 14 HG21 THR 14 16.504 -10.929 2.076 114 2HG2 THR 14 HG22 THR 14 14.903 -10.214 1.900 115 3HG2 THR 14 HG23 THR 14 16.339 -9.189 1.837 116 H ALA 15 HN ALA 15 16.801 -8.930 -2.424 117 HA ALA 15 HA ALA 15 18.072 -6.602 -1.489 118 1HB ALA 15 HB1 ALA 15 18.758 -8.045 -3.410 119 2HB ALA 15 HB2 ALA 15 18.732 -6.340 -3.852 120 3HB ALA 15 HB3 ALA 15 17.412 -7.399 -4.348 121 H ILE 16 HN ILE 16 15.161 -6.926 -3.500 122 HA ILE 16 HA ILE 16 14.690 -4.076 -3.789 123 HB ILE 16 HB ILE 16 13.022 -6.601 -4.030 124 1HG1 ILE 16 HG12 ILE 16 14.145 -4.763 -6.165 125 2HG1 ILE 16 HG11 ILE 16 14.960 -6.223 -5.602 126 1HG2 ILE 16 HG21 ILE 16 11.243 -5.359 -4.921 127 2HG2 ILE 16 HG22 ILE 16 12.243 -3.933 -5.186 128 3HG2 ILE 16 HG23 ILE 16 11.761 -4.381 -3.550 129 1HD1 ILE 16 HD11 ILE 16 13.007 -6.070 -7.607 130 2HD1 ILE 16 HD12 ILE 16 12.184 -6.774 -6.215 131 3HD1 ILE 16 HD13 ILE 16 13.637 -7.538 -6.857 132 H LEU 17 HN LEU 17 13.472 -6.647 -1.658 133 HA LEU 17 HA LEU 17 11.612 -5.174 -0.101 134 1HB LEU 17 HB2 LEU 17 11.738 -7.559 0.079 135 2HB LEU 17 HB1 LEU 17 13.468 -7.520 0.369 136 HG LEU 17 HG LEU 17 11.864 -7.938 2.383 137 1HD1 LEU 17 HD11 LEU 17 13.649 -7.376 3.679 138 2HD1 LEU 17 HD12 LEU 17 13.709 -5.729 3.051 139 3HD1 LEU 17 HD13 LEU 17 14.423 -7.049 2.127 140 1HD2 LEU 17 HD21 LEU 17 11.868 -5.021 2.822 141 2HD2 LEU 17 HD22 LEU 17 10.613 -6.207 3.174 142 3HD2 LEU 17 HD23 LEU 17 10.774 -5.552 1.545 143 H GLN 18 HN GLN 18 15.105 -5.737 0.360 144 HA GLN 18 HA GLN 18 15.406 -4.313 2.801 145 1HB GLN 18 HB2 GLN 18 17.230 -4.919 0.464 146 2HB GLN 18 HB1 GLN 18 17.817 -4.194 1.964 147 1HG GLN 18 HG2 GLN 18 16.606 -6.153 3.144 148 2HG GLN 18 HG1 GLN 18 16.573 -6.912 1.552 149 1HE2 GLN 18 HE21 GLN 18 18.444 -6.588 4.344 150 2HE2 GLN 18 HE22 GLN 18 19.940 -7.064 3.707 151 H ASP 19 HN ASP 19 15.661 -3.143 -0.574 152 HA ASP 19 HA ASP 19 16.456 -0.469 0.041 153 1HB ASP 19 HB2 ASP 19 14.849 -1.723 -2.208 154 2HB ASP 19 HB1 ASP 19 15.403 -0.048 -2.241 155 H CYS 20 HN CYS 20 13.284 -2.036 -0.032 156 HA CYS 20 HA CYS 20 11.671 0.338 0.145 157 1HB CYS 20 HB2 CYS 20 11.190 -2.498 1.106 158 2HB CYS 20 HB1 CYS 20 9.941 -1.287 0.807 159 HG CYS 20 HG CYS 20 11.785 -2.316 -1.504 160 H GLN 21 HN GLN 21 13.071 -1.805 2.640 161 HA GLN 21 HA GLN 21 11.814 -0.388 4.852 162 1HB GLN 21 HB2 GLN 21 14.300 -2.092 5.010 163 2HB GLN 21 HB1 GLN 21 12.976 -1.964 6.166 164 1HG GLN 21 HG2 GLN 21 11.527 -2.903 4.188 165 2HG GLN 21 HG1 GLN 21 13.081 -3.471 3.581 166 1HE2 GLN 21 HE21 GLN 21 10.621 -4.814 4.972 167 2HE2 GLN 21 HE22 GLN 21 11.352 -5.822 6.121 168 H ARG 22 HN ARG 22 14.974 -0.401 3.243 169 HA ARG 22 HA ARG 22 16.523 1.215 4.902 170 1HB ARG 22 HB2 ARG 22 16.151 0.947 1.922 171 2HB ARG 22 HB1 ARG 22 17.328 2.095 2.562 172 1HG ARG 22 HG2 ARG 22 17.239 -0.886 3.109 173 2HG ARG 22 HG1 ARG 22 18.450 -0.032 2.149 174 1HD ARG 22 HD2 ARG 22 18.515 1.383 4.500 175 2HD ARG 22 HD1 ARG 22 18.216 -0.272 5.074 176 HE ARG 22 HE ARG 22 20.157 -0.695 3.206 177 1HH1 ARG 22 HH11 ARG 22 19.843 1.594 5.777 178 2HH1 ARG 22 HH12 ARG 22 21.549 1.745 6.023 179 1HH2 ARG 22 HH21 ARG 22 22.385 -0.499 3.517 180 2HH2 ARG 22 HH22 ARG 22 22.986 0.554 4.756 181 H ALA 23 HN ALA 23 14.495 2.412 2.211 182 HA ALA 23 HA ALA 23 14.576 5.164 3.005 183 1HB ALA 23 HB1 ALA 23 13.834 3.877 0.812 184 2HB ALA 23 HB2 ALA 23 13.071 5.413 1.222 185 3HB ALA 23 HB3 ALA 23 12.247 3.896 1.579 186 H LEU 24 HN LEU 24 11.962 2.694 3.430 187 HA LEU 24 HA LEU 24 10.639 4.388 5.446 188 1HB LEU 24 HB2 LEU 24 10.143 1.571 4.431 189 2HB LEU 24 HB1 LEU 24 9.020 2.521 5.404 190 HG LEU 24 HG LEU 24 10.064 3.273 2.666 191 1HD1 LEU 24 HD11 LEU 24 8.424 1.456 2.599 192 2HD1 LEU 24 HD12 LEU 24 7.718 2.945 1.970 193 3HD1 LEU 24 HD13 LEU 24 7.320 2.400 3.599 194 1HD2 LEU 24 HD21 LEU 24 8.139 5.015 2.990 195 2HD2 LEU 24 HD22 LEU 24 9.699 5.320 3.753 196 3HD2 LEU 24 HD23 LEU 24 8.359 4.687 4.707 197 H SER 25 HN SER 25 12.890 4.197 6.661 198 HA SER 25 HA SER 25 12.927 1.722 8.351 199 1HB SER 25 HB2 SER 25 15.307 2.462 8.752 200 2HB SER 25 HB1 SER 25 14.951 2.110 7.061 201 HG SER 25 HG SER 25 16.029 4.088 7.244 202 H ALA 26 HN ALA 26 12.107 5.011 8.368 203 HA ALA 26 HA ALA 26 12.868 6.180 10.731 204 1HB ALA 26 HB1 ALA 26 11.030 7.502 10.344 205 2HB ALA 26 HB2 ALA 26 9.936 6.120 10.260 206 3HB ALA 26 HB3 ALA 26 10.917 6.556 8.859 207 H ASP 27 HN ASP 27 12.613 5.755 12.913 208 HA ASP 27 HA ASP 27 11.914 3.229 13.928 209 1HB ASP 27 HB2 ASP 27 11.783 6.008 15.143 210 2HB ASP 27 HB1 ASP 27 11.733 4.519 16.087 211 H ARG 28 HN ARG 28 9.901 5.882 12.946 212 HA ARG 28 HA ARG 28 7.493 4.906 14.338 213 1HB ARG 28 HB2 ARG 28 6.495 6.870 13.275 214 2HB ARG 28 HB1 ARG 28 8.066 7.320 13.945 215 1HG ARG 28 HG2 ARG 28 9.114 7.097 11.761 216 2HG ARG 28 HG1 ARG 28 7.606 6.499 11.061 217 1HD ARG 28 HD2 ARG 28 6.521 8.674 11.675 218 2HD ARG 28 HD1 ARG 28 8.114 9.267 12.188 219 HE ARG 28 HE ARG 28 8.084 8.097 9.499 220 1HH1 ARG 28 HH11 ARG 28 7.739 10.915 11.473 221 2HH1 ARG 28 HH12 ARG 28 8.034 12.016 10.172 222 1HH2 ARG 28 HH21 ARG 28 8.473 9.529 7.800 223 2HH2 ARG 28 HH22 ARG 28 8.448 11.234 8.095 224 H TYR 29 HN TYR 29 8.831 3.123 12.283 225 HA TYR 29 HA TYR 29 6.541 2.993 10.362 226 1HB TYR 29 HB2 TYR 29 9.506 2.799 10.065 227 2HB TYR 29 HB1 TYR 29 8.506 1.822 8.996 228 HD1 TYR 29 HD1 TYR 29 10.312 4.499 8.663 229 HD2 TYR 29 HD2 TYR 29 6.129 3.570 8.677 230 HE1 TYR 29 HE1 TYR 29 9.866 6.505 7.290 231 HE2 TYR 29 HE2 TYR 29 5.668 5.585 7.315 232 HH TYR 29 HH TYR 29 8.091 7.276 5.696 233 H GLN 30 HN GLN 30 5.795 0.906 9.836 234 HA GLN 30 HA GLN 30 6.894 -1.344 11.491 235 1HB GLN 30 HB2 GLN 30 4.383 -0.075 11.653 236 2HB GLN 30 HB1 GLN 30 4.080 -1.592 10.802 237 1HG GLN 30 HG2 GLN 30 5.084 -2.875 12.568 238 2HG GLN 30 HG1 GLN 30 5.673 -1.416 13.367 239 1HE2 GLN 30 HE21 GLN 30 3.212 -3.681 13.506 240 2HE2 GLN 30 HE22 GLN 30 2.041 -2.754 14.311 241 H LEU 31 HN LEU 31 8.154 -1.878 9.575 242 HA LEU 31 HA LEU 31 6.841 -2.356 7.036 243 1HB LEU 31 HB2 LEU 31 9.561 -2.853 8.258 244 2HB LEU 31 HB1 LEU 31 9.189 -3.362 6.614 245 HG LEU 31 HG LEU 31 10.279 -1.115 6.750 246 1HD1 LEU 31 HD11 LEU 31 7.435 -0.989 5.723 247 2HD1 LEU 31 HD12 LEU 31 8.744 -1.828 4.887 248 3HD1 LEU 31 HD13 LEU 31 8.825 -0.083 5.124 249 1HD2 LEU 31 HD21 LEU 31 9.046 0.780 7.598 250 2HD2 LEU 31 HD22 LEU 31 9.138 -0.428 8.880 251 3HD2 LEU 31 HD23 LEU 31 7.647 -0.230 7.958 252 H GLN 32 HN GLN 32 5.753 -4.195 6.509 253 HA GLN 32 HA GLN 32 6.425 -6.733 7.968 254 1HB GLN 32 HB2 GLN 32 4.186 -5.745 8.488 255 2HB GLN 32 HB1 GLN 32 3.783 -5.809 6.773 256 1HG GLN 32 HG2 GLN 32 2.839 -7.777 7.762 257 2HG GLN 32 HG1 GLN 32 4.266 -8.307 6.878 258 1HE2 GLN 32 HE21 GLN 32 5.726 -9.554 8.071 259 2HE2 GLN 32 HE22 GLN 32 5.797 -9.603 9.767 260 H VAL 33 HN VAL 33 7.626 -7.913 6.504 261 HA VAL 33 HA VAL 33 7.229 -7.538 3.614 262 HB VAL 33 HB VAL 33 9.032 -9.455 5.103 263 1HG1 VAL 33 HG11 VAL 33 8.785 -9.750 2.642 264 2HG1 VAL 33 HG12 VAL 33 10.415 -9.251 3.093 265 3HG1 VAL 33 HG13 VAL 33 9.291 -8.076 2.411 266 1HG2 VAL 33 HG21 VAL 33 9.642 -7.432 6.083 267 2HG2 VAL 33 HG22 VAL 33 9.166 -6.487 4.673 268 3HG2 VAL 33 HG23 VAL 33 10.665 -7.419 4.647 269 H CYS 34 HN CYS 34 6.091 -8.868 2.306 270 HA CYS 34 HA CYS 34 5.115 -11.481 3.433 271 1HB CYS 34 HB2 CYS 34 3.925 -9.369 1.641 272 2HB CYS 34 HB1 CYS 34 3.311 -11.020 1.583 273 HG CYS 34 HG CYS 34 2.321 -9.189 3.543 274 H GLU 35 HN GLU 35 6.202 -13.162 2.481 275 HA GLU 35 HA GLU 35 7.918 -13.008 0.243 276 1HB GLU 35 HB2 GLU 35 6.339 -15.276 1.480 277 2HB GLU 35 HB1 GLU 35 7.623 -15.525 0.296 278 1HG GLU 35 HG2 GLU 35 9.200 -14.312 1.808 279 2HG GLU 35 HG1 GLU 35 7.909 -14.190 3.005 280 H SER 36 HN SER 36 4.443 -13.731 0.366 281 HA SER 36 HA SER 36 4.466 -13.912 -2.632 282 1HB SER 36 HB2 SER 36 2.275 -14.955 -0.866 283 2HB SER 36 HB1 SER 36 2.841 -15.571 -2.418 284 HG SER 36 HG SER 36 3.612 -16.926 -0.830 285 H GLY 37 HN GLY 37 1.812 -13.572 -3.138 286 1HA GLY 37 HA2 GLY 37 1.338 -10.747 -2.322 287 2HA GLY 37 HA1 GLY 37 0.601 -11.551 -3.721 288 H GLU 38 HN GLU 38 0.203 -13.999 -2.156 289 HA GLU 38 HA GLU 38 -2.453 -13.514 -1.152 290 1HB GLU 38 HB2 GLU 38 -0.428 -15.751 -1.233 291 2HB GLU 38 HB1 GLU 38 -1.947 -15.959 -0.380 292 1HG GLU 38 HG2 GLU 38 -3.112 -15.190 -2.510 293 2HG GLU 38 HG1 GLU 38 -1.549 -15.350 -3.311 294 H MET 39 HN MET 39 0.780 -13.933 0.224 295 HA MET 39 HA MET 39 0.021 -14.025 2.980 296 1HB MET 39 HB2 MET 39 2.506 -13.142 1.483 297 2HB MET 39 HB1 MET 39 2.445 -13.220 3.245 298 1HG MET 39 HG2 MET 39 1.767 -15.563 1.450 299 2HG MET 39 HG1 MET 39 3.367 -15.301 2.142 300 1HE MET 39 HE1 MET 39 4.034 -15.295 4.314 301 2HE MET 39 HE2 MET 39 3.203 -15.912 5.739 302 3HE MET 39 HE3 MET 39 2.881 -14.272 5.185 303 H LEU 40 HN LEU 40 0.740 -11.367 0.740 304 HA LEU 40 HA LEU 40 0.650 -9.185 2.566 305 1HB LEU 40 HB2 LEU 40 1.372 -8.668 0.400 306 2HB LEU 40 HB1 LEU 40 0.129 -9.664 -0.357 307 HG LEU 40 HG LEU 40 -1.579 -8.022 0.145 308 1HD1 LEU 40 HD11 LEU 40 -0.416 -7.408 2.370 309 2HD1 LEU 40 HD12 LEU 40 -1.240 -6.117 1.495 310 3HD1 LEU 40 HD13 LEU 40 0.515 -6.260 1.409 311 1HD2 LEU 40 HD21 LEU 40 -0.675 -7.306 -1.851 312 2HD2 LEU 40 HD22 LEU 40 0.946 -7.130 -1.175 313 3HD2 LEU 40 HD23 LEU 40 -0.281 -5.902 -0.862 314 H LEU 41 HN LEU 41 -1.966 -10.721 0.662 315 HA LEU 41 HA LEU 41 -4.135 -9.147 1.528 316 1HB LEU 41 HB2 LEU 41 -3.871 -12.104 0.896 317 2HB LEU 41 HB1 LEU 41 -5.417 -11.266 1.027 318 HG LEU 41 HG LEU 41 -3.223 -10.385 -0.858 319 1HD1 LEU 41 HD11 LEU 41 -5.651 -11.678 -1.945 320 2HD1 LEU 41 HD12 LEU 41 -4.555 -12.763 -1.088 321 3HD1 LEU 41 HD13 LEU 41 -3.971 -11.823 -2.461 322 1HD2 LEU 41 HD21 LEU 41 -6.169 -9.856 -1.109 323 2HD2 LEU 41 HD22 LEU 41 -4.812 -8.901 -1.706 324 3HD2 LEU 41 HD23 LEU 41 -5.206 -8.894 0.014 325 H GLU 42 HN GLU 42 -2.978 -12.242 2.929 326 HA GLU 42 HA GLU 42 -4.732 -12.442 5.096 327 1HB GLU 42 HB2 GLU 42 -2.795 -13.952 4.234 328 2HB GLU 42 HB1 GLU 42 -1.776 -13.006 5.321 329 1HG GLU 42 HG2 GLU 42 -3.393 -13.542 7.179 330 2HG GLU 42 HG1 GLU 42 -4.215 -14.640 6.071 331 H TYR 43 HN TYR 43 -1.769 -10.480 4.823 332 HA TYR 43 HA TYR 43 -1.760 -9.577 7.548 333 1HB TYR 43 HB2 TYR 43 0.197 -9.395 6.145 334 2HB TYR 43 HB1 TYR 43 -0.687 -8.429 4.959 335 HD1 TYR 43 HD1 TYR 43 0.927 -8.432 8.255 336 HD2 TYR 43 HD2 TYR 43 -1.349 -6.121 5.444 337 HE1 TYR 43 HE1 TYR 43 1.453 -6.370 9.522 338 HE2 TYR 43 HE2 TYR 43 -0.819 -4.055 6.707 339 HH TYR 43 HH TYR 43 -0.032 -3.799 9.556 340 H ALA 44 HN ALA 44 -3.065 -8.087 4.561 341 HA ALA 44 HA ALA 44 -4.224 -5.839 6.038 342 1HB ALA 44 HB1 ALA 44 -3.402 -6.432 3.441 343 2HB ALA 44 HB2 ALA 44 -4.236 -4.963 3.946 344 3HB ALA 44 HB3 ALA 44 -5.157 -6.326 3.306 345 H GLN 45 HN GLN 45 -5.223 -9.045 5.291 346 HA GLN 45 HA GLN 45 -8.097 -8.549 5.122 347 1HB GLN 45 HB2 GLN 45 -6.255 -10.912 5.428 348 2HB GLN 45 HB1 GLN 45 -7.998 -11.126 5.617 349 1HG GLN 45 HG2 GLN 45 -8.237 -9.875 3.415 350 2HG GLN 45 HG1 GLN 45 -6.505 -10.106 3.211 351 1HE2 GLN 45 HE21 GLN 45 -5.750 -12.196 2.618 352 2HE2 GLN 45 HE22 GLN 45 -6.792 -13.493 2.299 353 H THR 46 HN THR 46 -5.968 -8.260 7.647 354 HA THR 46 HA THR 46 -8.146 -8.818 9.623 355 HB THR 46 HB THR 46 -6.623 -10.078 10.945 356 HG1 THR 46 HG1 THR 46 -4.442 -9.927 10.716 357 1HG2 THR 46 HG21 THR 46 -7.271 -11.349 8.958 358 2HG2 THR 46 HG22 THR 46 -5.591 -11.714 9.347 359 3HG2 THR 46 HG23 THR 46 -5.968 -10.613 8.024 360 H HIS 47 HN HIS 47 -6.821 -6.442 8.220 361 HA HIS 47 HA HIS 47 -6.946 -4.513 10.298 362 1HB HIS 47 HB2 HIS 47 -4.517 -6.117 10.106 363 2HB HIS 47 HB1 HIS 47 -4.165 -4.401 9.894 364 HD1 HIS 47 HD1 HIS 47 -2.984 -5.019 12.366 365 HD2 HIS 47 HD2 HIS 47 -7.131 -4.624 12.215 366 HE1 HIS 47 HE1 HIS 47 -3.750 -4.611 14.746 367 H ARG 48 HN ARG 48 -8.016 -3.607 8.278 368 HA ARG 48 HA ARG 48 -6.212 -2.923 6.029 369 1HB ARG 48 HB2 ARG 48 -8.977 -1.811 6.313 370 2HB ARG 48 HB1 ARG 48 -8.174 -2.443 4.880 371 1HG ARG 48 HG2 ARG 48 -8.329 -4.742 6.052 372 2HG ARG 48 HG1 ARG 48 -9.514 -3.967 7.108 373 1HD ARG 48 HD2 ARG 48 -10.989 -3.495 5.287 374 2HD ARG 48 HD1 ARG 48 -9.735 -3.842 4.083 375 HE ARG 48 HE ARG 48 -9.941 -6.200 5.544 376 1HH1 ARG 48 HH11 ARG 48 -12.119 -4.119 3.849 377 2HH1 ARG 48 HH12 ARG 48 -13.175 -5.401 3.361 378 1HH2 ARG 48 HH21 ARG 48 -11.319 -7.887 4.915 379 2HH2 ARG 48 HH22 ARG 48 -12.726 -7.529 3.969 380 H ASP 49 HN ASP 49 -8.338 -1.162 8.255 381 HA ASP 49 HA ASP 49 -7.368 1.465 7.645 382 1HB ASP 49 HB2 ASP 49 -9.333 0.222 9.213 383 2HB ASP 49 HB1 ASP 49 -8.342 1.115 10.366 384 H GLN 50 HN GLN 50 -6.243 -0.967 9.965 385 HA GLN 50 HA GLN 50 -4.565 0.777 11.531 386 1HB GLN 50 HB2 GLN 50 -4.396 -2.196 10.924 387 2HB GLN 50 HB1 GLN 50 -3.585 -1.379 12.261 388 1HG GLN 50 HG2 GLN 50 -6.589 -1.489 11.841 389 2HG GLN 50 HG1 GLN 50 -5.683 -2.440 13.018 390 1HE2 GLN 50 HE21 GLN 50 -7.777 -0.308 13.507 391 2HE2 GLN 50 HE22 GLN 50 -7.011 0.846 14.487 392 H ILE 51 HN ILE 51 -4.290 -0.411 8.330 393 HA ILE 51 HA ILE 51 -1.359 -0.433 8.208 394 HB ILE 51 HB ILE 51 -3.374 -0.331 5.951 395 1HG1 ILE 51 HG12 ILE 51 -4.210 -2.067 7.313 396 2HG1 ILE 51 HG11 ILE 51 -3.182 -2.909 6.158 397 1HG2 ILE 51 HG21 ILE 51 -1.641 -0.944 4.621 398 2HG2 ILE 51 HG22 ILE 51 -1.024 -2.097 5.806 399 3HG2 ILE 51 HG23 ILE 51 -0.617 -0.385 5.944 400 1HD1 ILE 51 HD11 ILE 51 -2.608 -2.247 9.049 401 2HD1 ILE 51 HD12 ILE 51 -1.310 -2.640 7.921 402 3HD1 ILE 51 HD13 ILE 51 -2.573 -3.824 8.260 403 H ASP 52 HN ASP 52 -0.083 1.286 7.639 404 HA ASP 52 HA ASP 52 -1.455 3.884 7.129 405 1HB ASP 52 HB2 ASP 52 1.132 2.958 8.322 406 2HB ASP 52 HB1 ASP 52 0.961 4.633 7.786 407 H CYS 53 HN CYS 53 0.488 1.513 5.509 408 HA CYS 53 HA CYS 53 0.403 2.965 3.021 409 1HB CYS 53 HB2 CYS 53 2.424 3.698 4.897 410 2HB CYS 53 HB1 CYS 53 3.214 2.899 3.538 411 HG CYS 53 HG CYS 53 1.415 4.730 2.208 412 H LEU 54 HN LEU 54 0.244 1.244 1.612 413 HA LEU 54 HA LEU 54 1.812 -1.230 2.247 414 1HB LEU 54 HB2 LEU 54 -0.709 -1.152 1.694 415 2HB LEU 54 HB1 LEU 54 -0.213 -0.817 0.034 416 HG LEU 54 HG LEU 54 1.050 -3.131 1.457 417 1HD1 LEU 54 HD11 LEU 54 -1.793 -2.857 1.060 418 2HD1 LEU 54 HD12 LEU 54 -0.902 -4.218 1.742 419 3HD1 LEU 54 HD13 LEU 54 -1.173 -4.125 0.002 420 1HD2 LEU 54 HD21 LEU 54 0.681 -4.010 -0.989 421 2HD2 LEU 54 HD22 LEU 54 1.942 -2.813 -0.688 422 3HD2 LEU 54 HD23 LEU 54 0.393 -2.311 -1.365 423 H ILE 55 HN ILE 55 3.506 -1.886 0.936 424 HA ILE 55 HA ILE 55 4.326 -0.035 -1.268 425 HB ILE 55 HB ILE 55 5.748 -2.236 0.252 426 1HG1 ILE 55 HG12 ILE 55 6.148 0.763 0.393 427 2HG1 ILE 55 HG11 ILE 55 5.240 -0.181 1.580 428 1HG2 ILE 55 HG21 ILE 55 7.203 -0.197 -1.370 429 2HG2 ILE 55 HG22 ILE 55 6.401 -1.511 -2.234 430 3HG2 ILE 55 HG23 ILE 55 7.631 -1.873 -1.024 431 1HD1 ILE 55 HD11 ILE 55 7.210 -0.553 2.629 432 2HD1 ILE 55 HD12 ILE 55 8.131 0.089 1.268 433 3HD1 ILE 55 HD13 ILE 55 7.624 -1.599 1.271 434 H LEU 56 HN LEU 56 4.382 -0.829 -3.407 435 HA LEU 56 HA LEU 56 3.924 -3.766 -3.744 436 1HB LEU 56 HB2 LEU 56 2.435 -1.417 -4.925 437 2HB LEU 56 HB1 LEU 56 2.304 -3.051 -5.569 438 HG LEU 56 HG LEU 56 1.642 -2.170 -2.748 439 1HD1 LEU 56 HD11 LEU 56 0.135 -2.390 -5.187 440 2HD1 LEU 56 HD12 LEU 56 -0.419 -1.870 -3.594 441 3HD1 LEU 56 HD13 LEU 56 -0.457 -3.580 -4.027 442 1HD2 LEU 56 HD21 LEU 56 2.345 -4.778 -3.883 443 2HD2 LEU 56 HD22 LEU 56 0.752 -4.781 -3.127 444 3HD2 LEU 56 HD23 LEU 56 2.171 -4.306 -2.193 445 H VAL 57 HN VAL 57 4.730 -4.648 -5.675 446 HA VAL 57 HA VAL 57 6.618 -2.879 -7.205 447 HB VAL 57 HB VAL 57 6.721 -5.845 -6.529 448 1HG1 VAL 57 HG11 VAL 57 9.111 -4.337 -7.472 449 2HG1 VAL 57 HG12 VAL 57 7.886 -4.726 -8.679 450 3HG1 VAL 57 HG13 VAL 57 8.652 -6.017 -7.754 451 1HG2 VAL 57 HG21 VAL 57 8.620 -5.149 -5.053 452 2HG2 VAL 57 HG22 VAL 57 7.074 -4.472 -4.542 453 3HG2 VAL 57 HG23 VAL 57 8.235 -3.462 -5.405 454 H ALA 58 HN ALA 58 5.637 -2.511 -9.204 455 HA ALA 58 HA ALA 58 3.638 -4.220 -10.369 456 1HB ALA 58 HB1 ALA 58 5.169 -2.503 -12.177 457 2HB ALA 58 HB2 ALA 58 4.639 -1.676 -10.712 458 3HB ALA 58 HB3 ALA 58 3.455 -2.451 -11.766 459 H ALA 59 HN ALA 59 7.118 -4.154 -10.514 460 HA ALA 59 HA ALA 59 7.774 -5.468 -12.876 461 1HB ALA 59 HB1 ALA 59 9.214 -6.666 -10.715 462 2HB ALA 59 HB2 ALA 59 8.857 -4.999 -10.265 463 3HB ALA 59 HB3 ALA 59 9.733 -5.339 -11.758 464 H ASN 60 HN ASN 60 5.992 -6.729 -10.154 465 HA ASN 60 HA ASN 60 6.420 -9.538 -10.595 466 1HB ASN 60 HB2 ASN 60 4.471 -7.751 -9.181 467 2HB ASN 60 HB1 ASN 60 4.130 -9.482 -9.277 468 1HD2 ASN 60 HD21 ASN 60 5.746 -10.968 -8.292 469 2HD2 ASN 60 HD22 ASN 60 6.807 -10.392 -7.097 470 HA PRO 61 HA PRO 61 3.717 -10.377 -13.944 471 1HB PRO 61 HB2 PRO 61 2.883 -12.899 -13.275 472 2HB PRO 61 HB1 PRO 61 4.517 -12.547 -13.870 473 1HG PRO 61 HG2 PRO 61 3.586 -13.062 -11.097 474 2HG PRO 61 HG1 PRO 61 5.111 -13.493 -11.877 475 1HD PRO 61 HD2 PRO 61 4.792 -11.386 -10.137 476 2HD PRO 61 HD1 PRO 61 6.088 -11.511 -11.347 477 H SER 62 HN SER 62 2.017 -12.239 -11.474 478 HA SER 62 HA SER 62 -0.521 -10.964 -12.182 479 1HB SER 62 HB2 SER 62 -0.392 -12.798 -9.882 480 2HB SER 62 HB1 SER 62 -1.352 -12.909 -11.353 481 HG SER 62 HG SER 62 0.664 -14.369 -10.824 482 H PHE 63 HN PHE 63 1.750 -9.537 -10.519 483 HA PHE 63 HA PHE 63 0.885 -9.080 -7.867 484 1HB PHE 63 HB2 PHE 63 2.907 -8.098 -8.315 485 2HB PHE 63 HB1 PHE 63 2.455 -7.654 -9.958 486 HD1 PHE 63 HD1 PHE 63 2.112 -5.390 -10.411 487 HD2 PHE 63 HD2 PHE 63 1.504 -6.825 -6.417 488 HE1 PHE 63 HE1 PHE 63 1.610 -3.092 -9.660 489 HE2 PHE 63 HE2 PHE 63 1.001 -4.531 -5.664 490 HZ PHE 63 HZ PHE 63 1.055 -2.656 -7.283 491 H ARG 64 HN ARG 64 -0.135 -7.426 -10.865 492 HA ARG 64 HA ARG 64 -1.834 -5.475 -9.769 493 1HB ARG 64 HB2 ARG 64 -1.588 -7.027 -12.287 494 2HB ARG 64 HB1 ARG 64 -3.133 -6.211 -12.031 495 1HG ARG 64 HG2 ARG 64 -1.867 -4.551 -13.092 496 2HG ARG 64 HG1 ARG 64 -1.654 -4.159 -11.388 497 1HD ARG 64 HD2 ARG 64 0.581 -4.345 -11.683 498 2HD ARG 64 HD1 ARG 64 0.361 -6.063 -12.045 499 HE ARG 64 HE ARG 64 0.508 -3.876 -14.040 500 1HH1 ARG 64 HH11 ARG 64 -0.053 -7.228 -13.306 501 2HH1 ARG 64 HH12 ARG 64 0.087 -7.725 -14.954 502 1HH2 ARG 64 HH21 ARG 64 0.659 -4.544 -16.173 503 2HH2 ARG 64 HH22 ARG 64 0.473 -6.219 -16.567 504 H ALA 65 HN ALA 65 -2.536 -8.900 -10.483 505 HA ALA 65 HA ALA 65 -5.314 -8.874 -9.841 506 1HB ALA 65 HB1 ALA 65 -3.063 -10.826 -10.005 507 2HB ALA 65 HB2 ALA 65 -4.625 -10.851 -10.826 508 3HB ALA 65 HB3 ALA 65 -4.505 -11.360 -9.142 509 H VAL 66 HN VAL 66 -2.418 -9.205 -7.832 510 HA VAL 66 HA VAL 66 -3.735 -9.847 -5.367 511 HB VAL 66 HB VAL 66 -1.157 -8.381 -5.970 512 1HG1 VAL 66 HG11 VAL 66 -0.678 -8.463 -3.761 513 2HG1 VAL 66 HG12 VAL 66 -1.272 -10.117 -3.616 514 3HG1 VAL 66 HG13 VAL 66 -2.399 -8.763 -3.519 515 1HG2 VAL 66 HG21 VAL 66 -0.422 -10.353 -6.773 516 2HG2 VAL 66 HG22 VAL 66 -2.009 -11.067 -6.490 517 3HG2 VAL 66 HG23 VAL 66 -0.784 -11.110 -5.222 518 H VAL 67 HN VAL 67 -2.679 -6.707 -6.768 519 HA VAL 67 HA VAL 67 -3.532 -5.087 -4.567 520 HB VAL 67 HB VAL 67 -3.606 -4.275 -7.482 521 1HG1 VAL 67 HG11 VAL 67 -2.629 -2.180 -6.436 522 2HG1 VAL 67 HG12 VAL 67 -2.937 -2.910 -4.862 523 3HG1 VAL 67 HG13 VAL 67 -4.282 -2.551 -5.943 524 1HG2 VAL 67 HG21 VAL 67 -1.293 -5.105 -5.775 525 2HG2 VAL 67 HG22 VAL 67 -1.075 -3.711 -6.831 526 3HG2 VAL 67 HG23 VAL 67 -1.517 -5.275 -7.517 527 H GLN 68 HN GLN 68 -5.222 -6.177 -7.521 528 HA GLN 68 HA GLN 68 -7.682 -4.783 -7.103 529 1HB GLN 68 HB2 GLN 68 -6.967 -7.451 -8.373 530 2HB GLN 68 HB1 GLN 68 -8.556 -6.702 -8.524 531 1HG GLN 68 HG2 GLN 68 -7.643 -4.793 -9.654 532 2HG GLN 68 HG1 GLN 68 -5.991 -5.300 -9.300 533 1HE2 GLN 68 HE21 GLN 68 -5.061 -6.040 -11.205 534 2HE2 GLN 68 HE22 GLN 68 -5.832 -7.033 -12.345 535 H GLN 69 HN GLN 69 -6.349 -7.782 -5.828 536 HA GLN 69 HA GLN 69 -8.665 -8.898 -4.614 537 1HB GLN 69 HB2 GLN 69 -6.011 -9.501 -4.915 538 2HB GLN 69 HB1 GLN 69 -6.064 -9.093 -3.201 539 1HG GLN 69 HG2 GLN 69 -7.237 -10.956 -2.672 540 2HG GLN 69 HG1 GLN 69 -8.290 -10.796 -4.078 541 1HE2 GLN 69 HE21 GLN 69 -6.574 -10.976 -6.226 542 2HE2 GLN 69 HE22 GLN 69 -5.739 -12.454 -6.210 543 H LEU 70 HN LEU 70 -6.256 -6.554 -3.376 544 HA LEU 70 HA LEU 70 -7.294 -6.280 -0.732 545 1HB LEU 70 HB2 LEU 70 -5.720 -4.596 -2.671 546 2HB LEU 70 HB1 LEU 70 -6.236 -3.888 -1.143 547 HG LEU 70 HG LEU 70 -5.130 -6.502 -0.652 548 1HD1 LEU 70 HD11 LEU 70 -3.758 -4.838 -2.662 549 2HD1 LEU 70 HD12 LEU 70 -3.540 -6.546 -2.280 550 3HD1 LEU 70 HD13 LEU 70 -2.739 -5.316 -1.304 551 1HD2 LEU 70 HD21 LEU 70 -4.775 -5.235 1.194 552 2HD2 LEU 70 HD22 LEU 70 -4.970 -3.740 0.279 553 3HD2 LEU 70 HD23 LEU 70 -3.401 -4.541 0.333 554 H CYS 71 HN CYS 71 -7.941 -4.408 -3.698 555 HA CYS 71 HA CYS 71 -9.946 -2.667 -2.653 556 1HB CYS 71 HB2 CYS 71 -9.436 -3.820 -5.411 557 2HB CYS 71 HB1 CYS 71 -10.488 -2.447 -5.094 558 HG CYS 71 HG CYS 71 -7.647 -2.102 -5.537 559 H PHE 72 HN PHE 72 -10.166 -5.910 -4.126 560 HA PHE 72 HA PHE 72 -12.978 -6.078 -4.409 561 1HB PHE 72 HB2 PHE 72 -11.292 -7.687 -5.266 562 2HB PHE 72 HB1 PHE 72 -10.988 -8.229 -3.614 563 HD1 PHE 72 HD1 PHE 72 -12.946 -9.173 -2.264 564 HD2 PHE 72 HD2 PHE 72 -13.117 -8.552 -6.510 565 HE1 PHE 72 HE1 PHE 72 -14.891 -10.708 -2.411 566 HE2 PHE 72 HE2 PHE 72 -15.060 -10.084 -6.657 567 HZ PHE 72 HZ PHE 72 -15.948 -11.162 -4.609 568 H GLU 73 HN GLU 73 -10.929 -6.743 -1.582 569 HA GLU 73 HA GLU 73 -13.233 -7.507 0.077 570 1HB GLU 73 HB2 GLU 73 -10.363 -6.879 0.830 571 2HB GLU 73 HB1 GLU 73 -11.500 -7.894 1.721 572 1HG GLU 73 HG2 GLU 73 -11.579 -9.462 -0.197 573 2HG GLU 73 HG1 GLU 73 -10.397 -8.464 -1.044 574 H GLY 74 HN GLY 74 -11.519 -4.628 -0.784 575 1HA GLY 74 HA2 GLY 74 -12.478 -2.440 -0.276 576 2HA GLY 74 HA1 GLY 74 -13.112 -3.116 1.225 577 H VAL 75 HN VAL 75 -9.921 -4.165 0.583 578 HA VAL 75 HA VAL 75 -8.944 -2.586 2.856 579 HB VAL 75 HB VAL 75 -7.532 -4.478 0.938 580 1HG1 VAL 75 HG11 VAL 75 -6.655 -2.880 3.198 581 2HG1 VAL 75 HG12 VAL 75 -5.697 -3.869 2.099 582 3HG1 VAL 75 HG13 VAL 75 -6.434 -4.600 3.523 583 1HG2 VAL 75 HG21 VAL 75 -8.527 -5.196 3.691 584 2HG2 VAL 75 HG22 VAL 75 -8.138 -6.262 2.342 585 3HG2 VAL 75 HG23 VAL 75 -9.614 -5.297 2.306 586 H VAL 76 HN VAL 76 -9.148 -0.398 1.879 587 HA VAL 76 HA VAL 76 -7.250 0.156 -0.368 588 HB VAL 76 HB VAL 76 -9.212 2.080 0.891 589 1HG1 VAL 76 HG11 VAL 76 -7.608 1.873 -1.594 590 2HG1 VAL 76 HG12 VAL 76 -8.141 3.307 -0.715 591 3HG1 VAL 76 HG13 VAL 76 -9.251 2.473 -1.803 592 1HG2 VAL 76 HG21 VAL 76 -10.469 0.014 0.415 593 2HG2 VAL 76 HG22 VAL 76 -9.810 -0.016 -1.221 594 3HG2 VAL 76 HG23 VAL 76 -10.902 1.278 -0.736 595 H VAL 77 HN VAL 77 -5.299 1.026 0.155 596 HA VAL 77 HA VAL 77 -5.055 2.749 2.597 597 HB VAL 77 HB VAL 77 -2.859 1.450 2.950 598 1HG1 VAL 77 HG11 VAL 77 -4.475 0.957 4.554 599 2HG1 VAL 77 HG12 VAL 77 -4.213 -0.625 3.819 600 3HG1 VAL 77 HG13 VAL 77 -5.615 0.340 3.359 601 1HG2 VAL 77 HG21 VAL 77 -3.321 0.429 0.518 602 2HG2 VAL 77 HG22 VAL 77 -4.148 -0.801 1.474 603 3HG2 VAL 77 HG23 VAL 77 -2.439 -0.474 1.749 604 HA PRO 78 HA PRO 78 -2.406 5.201 0.050 605 1HB PRO 78 HB2 PRO 78 -0.331 5.780 1.755 606 2HB PRO 78 HB1 PRO 78 -1.931 6.544 1.883 607 1HG PRO 78 HG2 PRO 78 -0.827 4.229 3.395 608 2HG PRO 78 HG1 PRO 78 -1.738 5.619 3.998 609 1HD PRO 78 HD2 PRO 78 -2.903 3.245 3.619 610 2HD PRO 78 HD1 PRO 78 -3.765 4.764 3.267 611 H ALA 79 HN ALA 79 -1.888 3.401 -1.324 612 HA ALA 79 HA ALA 79 0.484 1.765 -0.648 613 1HB ALA 79 HB1 ALA 79 -1.327 1.602 -3.049 614 2HB ALA 79 HB2 ALA 79 -1.841 1.015 -1.471 615 3HB ALA 79 HB3 ALA 79 -0.434 0.299 -2.262 616 H ILE 80 HN ILE 80 2.425 2.066 -1.627 617 HA ILE 80 HA ILE 80 2.660 4.121 -3.781 618 HB ILE 80 HB ILE 80 4.694 2.723 -1.999 619 1HG1 ILE 80 HG12 ILE 80 3.812 5.592 -1.764 620 2HG1 ILE 80 HG11 ILE 80 2.876 4.313 -0.995 621 1HG2 ILE 80 HG21 ILE 80 5.992 4.892 -2.718 622 2HG2 ILE 80 HG22 ILE 80 4.876 4.883 -4.083 623 3HG2 ILE 80 HG23 ILE 80 5.946 3.507 -3.811 624 1HD1 ILE 80 HD11 ILE 80 5.302 3.568 -0.145 625 2HD1 ILE 80 HD12 ILE 80 4.344 4.762 0.730 626 3HD1 ILE 80 HD13 ILE 80 5.625 5.289 -0.362 627 H VAL 81 HN VAL 81 2.962 3.347 -5.885 628 HA VAL 81 HA VAL 81 3.578 0.447 -6.190 629 HB VAL 81 HB VAL 81 2.639 2.513 -8.203 630 1HG1 VAL 81 HG11 VAL 81 2.766 0.823 -9.690 631 2HG1 VAL 81 HG12 VAL 81 1.758 -0.186 -8.655 632 3HG1 VAL 81 HG13 VAL 81 3.511 -0.186 -8.450 633 1HG2 VAL 81 HG21 VAL 81 0.660 0.593 -7.299 634 2HG2 VAL 81 HG22 VAL 81 0.572 2.356 -7.303 635 3HG2 VAL 81 HG23 VAL 81 1.299 1.512 -5.936 636 H VAL 82 HN VAL 82 5.399 -0.251 -7.341 637 HA VAL 82 HA VAL 82 7.415 1.878 -7.973 638 HB VAL 82 HB VAL 82 7.823 -1.050 -7.325 639 1HG1 VAL 82 HG11 VAL 82 9.557 1.288 -7.854 640 2HG1 VAL 82 HG12 VAL 82 9.882 -0.433 -8.073 641 3HG1 VAL 82 HG13 VAL 82 10.029 0.295 -6.476 642 1HG2 VAL 82 HG21 VAL 82 7.906 1.330 -5.450 643 2HG2 VAL 82 HG22 VAL 82 8.264 -0.345 -5.023 644 3HG2 VAL 82 HG23 VAL 82 6.627 0.118 -5.488 645 H GLY 83 HN GLY 83 8.902 1.383 -9.759 646 1HA GLY 83 HA2 GLY 83 9.475 0.560 -11.883 647 2HA GLY 83 HA1 GLY 83 8.357 -0.774 -11.609 648 H ASP 84 HN ASP 84 7.058 2.413 -11.241 649 HA ASP 84 HA ASP 84 5.520 2.002 -13.769 650 1HB ASP 84 HB2 ASP 84 4.283 2.264 -11.664 651 2HB ASP 84 HB1 ASP 84 5.112 3.787 -11.345 652 H ARG 85 HN ARG 85 6.394 3.095 -15.510 653 HA ARG 85 HA ARG 85 8.285 5.244 -15.257 654 1HB ARG 85 HB2 ARG 85 6.531 4.209 -17.496 655 2HB ARG 85 HB1 ARG 85 7.708 5.498 -17.735 656 1HG ARG 85 HG2 ARG 85 9.404 3.853 -16.648 657 2HG ARG 85 HG1 ARG 85 8.202 2.614 -17.015 658 1HD ARG 85 HD2 ARG 85 8.207 3.680 -19.417 659 2HD ARG 85 HD1 ARG 85 9.779 4.335 -18.921 660 HE ARG 85 HE ARG 85 9.187 1.513 -19.413 661 1HH1 ARG 85 HH11 ARG 85 11.095 3.808 -17.685 662 2HH1 ARG 85 HH12 ARG 85 12.459 2.753 -17.527 663 1HH2 ARG 85 HH21 ARG 85 10.958 0.120 -19.215 664 2HH2 ARG 85 HH22 ARG 85 12.376 0.658 -18.378 665 H ASP 86 HN ASP 86 7.952 7.495 -15.744 666 HA ASP 86 HA ASP 86 5.348 8.528 -14.834 667 1HB ASP 86 HB2 ASP 86 7.657 9.329 -14.144 668 2HB ASP 86 HB1 ASP 86 7.839 9.974 -15.775 669 H SER 87 HN SER 87 4.114 7.778 -16.776 670 HA SER 87 HA SER 87 4.473 9.650 -19.098 671 1HB SER 87 HB2 SER 87 4.167 6.665 -18.934 672 2HB SER 87 HB1 SER 87 3.521 7.506 -20.339 673 HG SER 87 HG SER 87 5.962 6.762 -20.012 674 H GLU 88 HN GLU 88 2.617 10.861 -19.342 675 HA GLU 88 HA GLU 88 0.171 10.260 -17.905 676 1HB GLU 88 HB2 GLU 88 -0.574 12.323 -18.885 677 2HB GLU 88 HB1 GLU 88 1.150 12.521 -18.562 678 1HG GLU 88 HG2 GLU 88 1.608 11.866 -20.942 679 2HG GLU 88 HG1 GLU 88 -0.135 11.864 -21.228 680 H ASP 89 HN ASP 89 1.448 8.915 -20.688 681 HA ASP 89 HA ASP 89 -0.772 8.744 -22.486 682 1HB ASP 89 HB2 ASP 89 1.639 8.163 -22.898 683 2HB ASP 89 HB1 ASP 89 1.427 6.735 -21.886 684 HA PRO 90 HA PRO 90 -3.211 5.981 -19.958 685 1HB PRO 90 HB2 PRO 90 -5.403 5.917 -21.576 686 2HB PRO 90 HB1 PRO 90 -5.021 7.306 -20.536 687 1HG PRO 90 HG2 PRO 90 -4.734 7.001 -23.453 688 2HG PRO 90 HG1 PRO 90 -5.010 8.456 -22.487 689 1HD PRO 90 HD2 PRO 90 -2.571 7.615 -23.601 690 2HD PRO 90 HD1 PRO 90 -2.799 8.910 -22.411 691 H ASP 91 HN ASP 91 -2.510 5.511 -23.381 692 HA ASP 91 HA ASP 91 -3.571 2.924 -23.799 693 1HB ASP 91 HB2 ASP 91 -1.032 4.241 -24.810 694 2HB ASP 91 HB1 ASP 91 -1.758 2.803 -25.527 695 H GLU 92 HN GLU 92 -0.441 3.886 -22.379 696 HA GLU 92 HA GLU 92 0.652 1.251 -22.102 697 1HB GLU 92 HB2 GLU 92 1.040 3.821 -20.542 698 2HB GLU 92 HB1 GLU 92 2.113 2.429 -20.442 699 1HG GLU 92 HG2 GLU 92 1.696 3.070 -23.211 700 2HG GLU 92 HG1 GLU 92 2.165 4.539 -22.353 701 HA PRO 93 HA PRO 93 -1.873 -0.153 -18.743 702 1HB PRO 93 HB2 PRO 93 -0.477 -2.432 -18.182 703 2HB PRO 93 HB1 PRO 93 -1.527 -2.264 -19.605 704 1HG PRO 93 HG2 PRO 93 1.423 -2.187 -19.417 705 2HG PRO 93 HG1 PRO 93 0.385 -2.753 -20.732 706 1HD PRO 93 HD2 PRO 93 1.720 -0.309 -20.645 707 2HD PRO 93 HD1 PRO 93 0.378 -0.722 -21.731 708 H ALA 94 HN ALA 94 -0.196 1.916 -17.882 709 HA ALA 94 HA ALA 94 0.792 0.820 -15.280 710 1HB ALA 94 HB1 ALA 94 2.488 2.947 -15.974 711 2HB ALA 94 HB2 ALA 94 2.277 2.032 -17.467 712 3HB ALA 94 HB3 ALA 94 2.886 1.230 -16.019 713 H LYS 95 HN LYS 95 -1.580 1.821 -15.035 714 HA LYS 95 HA LYS 95 -1.201 4.657 -14.139 715 1HB LYS 95 HB2 LYS 95 -3.355 5.200 -15.060 716 2HB LYS 95 HB1 LYS 95 -2.485 4.318 -16.317 717 1HG LYS 95 HG2 LYS 95 -3.608 2.207 -15.429 718 2HG LYS 95 HG1 LYS 95 -4.646 3.269 -14.481 719 1HD LYS 95 HD2 LYS 95 -5.196 4.463 -16.670 720 2HD LYS 95 HD1 LYS 95 -4.428 3.096 -17.484 721 1HE LYS 95 HE2 LYS 95 -6.006 1.667 -15.905 722 2HE LYS 95 HE1 LYS 95 -6.969 3.158 -15.891 723 1HZ LYS 95 HZ1 LYS 95 -7.251 1.439 -17.814 724 2HZ LYS 95 HZ2 LYS 95 -5.861 2.197 -18.431 725 3HZ LYS 95 HZ3 LYS 95 -7.267 3.102 -18.144 726 H GLU 96 HN GLU 96 -4.095 4.574 -13.275 727 HA GLU 96 HA GLU 96 -3.694 3.684 -10.561 728 1HB GLU 96 HB2 GLU 96 -6.191 4.424 -12.119 729 2HB GLU 96 HB1 GLU 96 -6.081 4.330 -10.362 730 1HG GLU 96 HG2 GLU 96 -4.450 6.126 -10.311 731 2HG GLU 96 HG1 GLU 96 -4.359 6.147 -12.072 732 H GLN 97 HN GLN 97 -4.426 1.867 -13.342 733 HA GLN 97 HA GLN 97 -6.378 0.021 -12.378 734 1HB GLN 97 HB2 GLN 97 -5.704 -1.282 -14.259 735 2HB GLN 97 HB1 GLN 97 -5.398 0.387 -14.732 736 1HG GLN 97 HG2 GLN 97 -3.018 0.093 -13.958 737 2HG GLN 97 HG1 GLN 97 -3.368 -1.618 -13.716 738 1HE2 GLN 97 HE21 GLN 97 -5.198 -0.499 -16.363 739 2HE2 GLN 97 HE22 GLN 97 -4.149 -0.983 -17.602 740 H LEU 98 HN LEU 98 -3.019 0.413 -11.586 741 HA LEU 98 HA LEU 98 -2.401 -2.252 -10.729 742 1HB LEU 98 HB2 LEU 98 -1.401 0.521 -10.012 743 2HB LEU 98 HB1 LEU 98 -0.638 -0.951 -9.411 744 HG LEU 98 HG LEU 98 -0.988 -0.160 -12.318 745 1HD1 LEU 98 HD11 LEU 98 1.497 -0.560 -10.622 746 2HD1 LEU 98 HD12 LEU 98 0.830 1.004 -11.086 747 3HD1 LEU 98 HD13 LEU 98 1.463 -0.087 -12.321 748 1HD2 LEU 98 HD21 LEU 98 0.434 -2.262 -12.656 749 2HD2 LEU 98 HD22 LEU 98 -1.251 -2.530 -12.206 750 3HD2 LEU 98 HD23 LEU 98 0.020 -2.688 -10.995 751 H TYR 99 HN TYR 99 -3.634 0.614 -9.027 752 HA TYR 99 HA TYR 99 -4.900 -1.132 -7.001 753 1HB TYR 99 HB2 TYR 99 -2.444 -0.339 -6.467 754 2HB TYR 99 HB1 TYR 99 -3.204 1.211 -6.137 755 HD1 TYR 99 HD1 TYR 99 -1.805 0.050 -3.955 756 HD2 TYR 99 HD2 TYR 99 -5.784 -0.858 -5.303 757 HE1 TYR 99 HE1 TYR 99 -2.396 -0.726 -1.681 758 HE2 TYR 99 HE2 TYR 99 -6.369 -1.633 -3.017 759 HH TYR 99 HH TYR 99 -4.028 -1.400 -0.345 760 H HIS 100 HN HIS 100 -5.442 1.233 -5.295 761 HA HIS 100 HA HIS 100 -7.793 2.243 -6.605 762 1HB HIS 100 HB2 HIS 100 -7.671 3.875 -4.616 763 2HB HIS 100 HB1 HIS 100 -7.735 2.161 -4.224 764 HD2 HIS 100 HD2 HIS 100 -6.279 3.284 -1.800 765 HE1 HIS 100 HE1 HIS 100 -2.575 3.033 -3.827 766 HE2 HIS 100 HE2 HIS 100 -3.697 3.284 -1.593 767 H SER 101 HN SER 101 -8.041 4.805 -6.702 768 HA SER 101 HA SER 101 -6.188 5.742 -8.728 769 1HB SER 101 HB2 SER 101 -7.723 7.546 -8.876 770 2HB SER 101 HB1 SER 101 -8.707 6.171 -8.385 771 HG SER 101 HG SER 101 -8.153 6.962 -6.158 772 H ALA 102 HN ALA 102 -6.021 5.772 -5.322 773 HA ALA 102 HA ALA 102 -4.550 8.335 -5.161 774 1HB ALA 102 HB1 ALA 102 -6.159 7.678 -3.430 775 2HB ALA 102 HB2 ALA 102 -4.539 7.755 -2.738 776 3HB ALA 102 HB3 ALA 102 -5.256 6.193 -3.135 777 H GLU 103 HN GLU 103 -3.891 4.896 -5.309 778 HA GLU 103 HA GLU 103 -1.459 4.452 -4.181 779 1HB GLU 103 HB2 GLU 103 -1.234 2.748 -5.766 780 2HB GLU 103 HB1 GLU 103 -2.942 3.125 -5.919 781 1HG GLU 103 HG2 GLU 103 -2.470 4.587 -7.845 782 2HG GLU 103 HG1 GLU 103 -0.747 4.246 -7.684 783 H LEU 104 HN LEU 104 0.481 5.516 -4.173 784 HA LEU 104 HA LEU 104 1.033 7.556 -6.240 785 1HB LEU 104 HB2 LEU 104 1.925 6.844 -3.530 786 2HB LEU 104 HB1 LEU 104 3.249 7.330 -4.590 787 HG LEU 104 HG LEU 104 1.825 9.341 -5.235 788 1HD1 LEU 104 HD11 LEU 104 -0.334 9.126 -4.563 789 2HD1 LEU 104 HD12 LEU 104 0.268 9.725 -3.019 790 3HD1 LEU 104 HD13 LEU 104 0.081 7.991 -3.275 791 1HD2 LEU 104 HD21 LEU 104 2.670 9.058 -2.332 792 2HD2 LEU 104 HD22 LEU 104 2.412 10.586 -3.176 793 3HD2 LEU 104 HD23 LEU 104 3.724 9.518 -3.670 794 H HIS 105 HN HIS 105 2.968 7.410 -7.582 795 HA HIS 105 HA HIS 105 3.838 4.576 -7.988 796 1HB HIS 105 HB2 HIS 105 3.942 6.906 -9.905 797 2HB HIS 105 HB1 HIS 105 4.101 5.191 -10.293 798 HD1 HIS 105 HD1 HIS 105 1.807 7.140 -11.412 799 HD2 HIS 105 HD2 HIS 105 1.396 4.393 -8.304 800 HE1 HIS 105 HE1 HIS 105 -0.664 6.611 -11.245 801 H LEU 106 HN LEU 106 6.011 4.109 -7.864 802 HA LEU 106 HA LEU 106 7.879 6.420 -7.500 803 1HB LEU 106 HB2 LEU 106 7.132 5.258 -5.406 804 2HB LEU 106 HB1 LEU 106 7.845 3.772 -6.032 805 HG LEU 106 HG LEU 106 10.048 4.776 -6.083 806 1HD1 LEU 106 HD11 LEU 106 10.337 7.125 -5.258 807 2HD1 LEU 106 HD12 LEU 106 8.583 7.297 -5.251 808 3HD1 LEU 106 HD13 LEU 106 9.441 7.026 -6.767 809 1HD2 LEU 106 HD21 LEU 106 8.520 5.290 -3.513 810 2HD2 LEU 106 HD22 LEU 106 10.275 5.396 -3.629 811 3HD2 LEU 106 HD23 LEU 106 9.465 3.861 -3.927 812 H GLY 107 HN GLY 107 9.915 6.185 -8.461 813 1HA GLY 107 HA2 GLY 107 10.205 4.350 -10.638 814 2HA GLY 107 HA1 GLY 107 11.499 5.344 -9.973 815 H ILE 108 HN ILE 108 11.895 2.650 -10.836 816 HA ILE 108 HA ILE 108 11.771 0.692 -8.802 817 HB ILE 108 HB ILE 108 13.691 1.225 -11.083 818 1HG1 ILE 108 HG12 ILE 108 11.368 0.980 -11.796 819 2HG1 ILE 108 HG11 ILE 108 12.254 -0.485 -12.215 820 1HG2 ILE 108 HG21 ILE 108 13.273 -1.537 -10.275 821 2HG2 ILE 108 HG22 ILE 108 13.994 -0.567 -8.991 822 3HG2 ILE 108 HG23 ILE 108 14.779 -0.671 -10.568 823 1HD1 ILE 108 HD11 ILE 108 10.278 -0.060 -9.981 824 2HD1 ILE 108 HD12 ILE 108 11.459 -1.366 -9.904 825 3HD1 ILE 108 HD13 ILE 108 10.287 -1.314 -11.222 826 H HIS 109 HN HIS 109 14.409 2.971 -9.641 827 HA HIS 109 HA HIS 109 15.960 2.143 -7.259 828 1HB HIS 109 HB2 HIS 109 16.313 3.807 -9.721 829 2HB HIS 109 HB1 HIS 109 17.345 4.176 -8.342 830 HD1 HIS 109 HD1 HIS 109 19.343 3.244 -9.888 831 HD2 HIS 109 HD2 HIS 109 16.534 0.408 -8.682 832 HE1 HIS 109 HE1 HIS 109 20.398 0.975 -10.286 833 H GLN 110 HN GLN 110 13.387 4.185 -7.810 834 HA GLN 110 HA GLN 110 14.290 6.437 -6.114 835 1HB GLN 110 HB2 GLN 110 11.694 5.704 -7.493 836 2HB GLN 110 HB1 GLN 110 11.931 7.198 -6.589 837 1HG GLN 110 HG2 GLN 110 13.909 7.678 -8.102 838 2HG GLN 110 HG1 GLN 110 13.379 6.313 -9.094 839 1HE2 GLN 110 HE21 GLN 110 12.567 7.473 -10.924 840 2HE2 GLN 110 HE22 GLN 110 11.275 8.568 -10.818 841 H LEU 111 HN LEU 111 13.682 3.470 -5.214 842 HA LEU 111 HA LEU 111 11.438 3.404 -3.513 843 1HB LEU 111 HB2 LEU 111 14.206 2.196 -3.270 844 2HB LEU 111 HB1 LEU 111 12.801 1.649 -2.351 845 HG LEU 111 HG LEU 111 12.974 1.725 -5.378 846 1HD1 LEU 111 HD11 LEU 111 13.311 -0.614 -5.316 847 2HD1 LEU 111 HD12 LEU 111 12.827 -0.726 -3.625 848 3HD1 LEU 111 HD13 LEU 111 14.382 -0.009 -4.051 849 1HD2 LEU 111 HD21 LEU 111 10.846 1.107 -3.373 850 2HD2 LEU 111 HD22 LEU 111 10.898 0.142 -4.847 851 3HD2 LEU 111 HD23 LEU 111 10.706 1.893 -4.945 852 H GLU 112 HN GLU 112 14.596 4.856 -3.016 853 HA GLU 112 HA GLU 112 14.591 5.285 -0.224 854 1HB GLU 112 HB2 GLU 112 16.122 7.121 -0.821 855 2HB GLU 112 HB1 GLU 112 16.417 5.723 -1.860 856 1HG GLU 112 HG2 GLU 112 14.629 6.873 -3.411 857 2HG GLU 112 HG1 GLU 112 15.094 8.327 -2.526 858 H GLN 113 HN GLN 113 12.570 6.676 -2.681 859 HA GLN 113 HA GLN 113 11.826 9.084 -1.173 860 1HB GLN 113 HB2 GLN 113 10.821 7.661 -3.641 861 2HB GLN 113 HB1 GLN 113 10.135 9.184 -3.074 862 1HG GLN 113 HG2 GLN 113 12.286 10.289 -3.296 863 2HG GLN 113 HG1 GLN 113 13.068 8.763 -3.705 864 1HE2 GLN 113 HE21 GLN 113 13.640 9.105 -5.876 865 2HE2 GLN 113 HE22 GLN 113 12.535 9.509 -7.102 866 H LEU 114 HN LEU 114 10.989 5.788 -1.080 867 HA LEU 114 HA LEU 114 8.286 5.557 -0.637 868 1HB LEU 114 HB2 LEU 114 10.717 4.385 0.675 869 2HB LEU 114 HB1 LEU 114 9.108 3.902 1.203 870 HG LEU 114 HG LEU 114 9.603 3.942 -1.727 871 1HD1 LEU 114 HD11 LEU 114 10.293 1.352 -0.915 872 2HD1 LEU 114 HD12 LEU 114 11.227 2.412 0.142 873 3HD1 LEU 114 HD13 LEU 114 11.377 2.554 -1.608 874 1HD2 LEU 114 HD21 LEU 114 7.501 3.259 -0.233 875 2HD2 LEU 114 HD22 LEU 114 8.352 1.715 -0.182 876 3HD2 LEU 114 HD23 LEU 114 7.877 2.409 -1.731 877 HA PRO 115 HA PRO 115 8.694 7.030 3.923 878 1HB PRO 115 HB2 PRO 115 10.752 8.797 4.429 879 2HB PRO 115 HB1 PRO 115 10.847 7.051 4.737 880 1HG PRO 115 HG2 PRO 115 11.856 8.612 2.399 881 2HG PRO 115 HG1 PRO 115 12.638 7.300 3.301 882 1HD PRO 115 HD2 PRO 115 11.470 6.852 0.934 883 2HD PRO 115 HD1 PRO 115 11.396 5.645 2.235 884 H TYR 116 HN TYR 116 10.086 9.402 1.603 885 HA TYR 116 HA TYR 116 8.303 11.527 2.448 886 1HB TYR 116 HB2 TYR 116 9.811 12.658 1.200 887 2HB TYR 116 HB1 TYR 116 10.558 11.127 0.770 888 HD1 TYR 116 HD1 TYR 116 7.442 13.018 -0.156 889 HD2 TYR 116 HD2 TYR 116 10.867 10.791 -1.490 890 HE1 TYR 116 HE1 TYR 116 6.744 13.355 -2.514 891 HE2 TYR 116 HE2 TYR 116 10.169 11.124 -3.849 892 HH TYR 116 HH TYR 116 8.358 11.717 -5.162 893 H GLN 117 HN GLN 117 8.153 8.891 0.146 894 HA GLN 117 HA GLN 117 5.767 9.778 -1.255 895 1HB GLN 117 HB2 GLN 117 7.288 7.183 -0.906 896 2HB GLN 117 HB1 GLN 117 5.800 7.250 -1.851 897 1HG GLN 117 HG2 GLN 117 8.002 9.226 -2.401 898 2HG GLN 117 HG1 GLN 117 8.109 7.593 -3.056 899 1HE2 GLN 117 HE21 GLN 117 6.746 10.685 -3.602 900 2HE2 GLN 117 HE22 GLN 117 5.640 10.247 -4.808 901 H VAL 118 HN VAL 118 6.486 7.751 1.552 902 HA VAL 118 HA VAL 118 3.858 6.712 2.013 903 HB VAL 118 HB VAL 118 6.355 7.215 3.620 904 1HG1 VAL 118 HG11 VAL 118 5.180 5.918 5.493 905 2HG1 VAL 118 HG12 VAL 118 3.667 6.335 4.692 906 3HG1 VAL 118 HG13 VAL 118 4.716 7.610 5.313 907 1HG2 VAL 118 HG21 VAL 118 6.091 5.287 2.020 908 2HG2 VAL 118 HG22 VAL 118 4.779 4.695 3.038 909 3HG2 VAL 118 HG23 VAL 118 6.417 4.796 3.684 910 H ASP 119 HN ASP 119 5.515 9.585 3.429 911 HA ASP 119 HA ASP 119 3.282 10.535 4.943 912 1HB ASP 119 HB2 ASP 119 5.541 12.028 3.561 913 2HB ASP 119 HB1 ASP 119 4.524 12.694 4.837 914 H ALA 120 HN ALA 120 4.337 11.198 1.612 915 HA ALA 120 HA ALA 120 2.189 13.029 0.989 916 1HB ALA 120 HB1 ALA 120 4.551 12.490 -0.098 917 2HB ALA 120 HB2 ALA 120 3.221 13.053 -1.108 918 3HB ALA 120 HB3 ALA 120 3.613 11.334 -1.044 919 H ALA 121 HN ALA 121 2.700 9.520 0.505 920 HA ALA 121 HA ALA 121 0.295 9.027 -0.979 921 1HB ALA 121 HB1 ALA 121 2.240 7.488 -0.771 922 2HB ALA 121 HB2 ALA 121 0.740 6.685 -0.304 923 3HB ALA 121 HB3 ALA 121 1.860 7.250 0.934 924 H LEU 122 HN LEU 122 0.968 9.327 2.480 925 HA LEU 122 HA LEU 122 -1.549 8.289 3.426 926 1HB LEU 122 HB2 LEU 122 0.436 10.317 4.517 927 2HB LEU 122 HB1 LEU 122 -0.906 9.667 5.458 928 HG LEU 122 HG LEU 122 0.998 7.775 4.111 929 1HD1 LEU 122 HD11 LEU 122 1.823 8.069 6.787 930 2HD1 LEU 122 HD12 LEU 122 1.680 9.713 6.161 931 3HD1 LEU 122 HD13 LEU 122 2.723 8.548 5.348 932 1HD2 LEU 122 HD21 LEU 122 0.397 6.456 6.182 933 2HD2 LEU 122 HD22 LEU 122 -0.970 6.814 5.127 934 3HD2 LEU 122 HD23 LEU 122 -0.729 7.747 6.602 935 H ALA 123 HN ALA 123 -0.412 11.640 2.867 936 HA ALA 123 HA ALA 123 -2.870 12.964 3.395 937 1HB ALA 123 HB1 ALA 123 -1.099 13.953 1.223 938 2HB ALA 123 HB2 ALA 123 -0.322 13.647 2.777 939 3HB ALA 123 HB3 ALA 123 -1.664 14.786 2.671 940 H GLU 124 HN GLU 124 -1.490 11.850 0.273 941 HA GLU 124 HA GLU 124 -3.657 12.619 -1.385 942 1HB GLU 124 HB2 GLU 124 -1.433 11.824 -2.148 943 2HB GLU 124 HB1 GLU 124 -1.821 10.205 -1.561 944 1HG GLU 124 HG2 GLU 124 -2.957 9.739 -3.444 945 2HG GLU 124 HG1 GLU 124 -3.972 11.162 -3.217 946 H PHE 125 HN PHE 125 -3.136 9.640 0.509 947 HA PHE 125 HA PHE 125 -5.505 8.304 -0.447 948 1HB PHE 125 HB2 PHE 125 -3.576 7.184 0.602 949 2HB PHE 125 HB1 PHE 125 -3.911 8.024 2.121 950 HD1 PHE 125 HD1 PHE 125 -6.120 7.635 3.282 951 HD2 PHE 125 HD2 PHE 125 -4.785 5.239 -0.020 952 HE1 PHE 125 HE1 PHE 125 -7.781 5.894 3.878 953 HE2 PHE 125 HE2 PHE 125 -6.448 3.497 0.571 954 HZ PHE 125 HZ PHE 125 -7.944 3.826 2.519 955 H LEU 126 HN LEU 126 -4.847 10.204 2.524 956 HA LEU 126 HA LEU 126 -7.423 9.935 3.701 957 1HB LEU 126 HB2 LEU 126 -5.316 12.119 3.749 958 2HB LEU 126 HB1 LEU 126 -6.707 12.093 4.835 959 HG LEU 126 HG LEU 126 -4.657 9.875 4.586 960 1HD1 LEU 126 HD11 LEU 126 -5.082 11.665 6.978 961 2HD1 LEU 126 HD12 LEU 126 -3.982 12.135 5.682 962 3HD1 LEU 126 HD13 LEU 126 -3.690 10.653 6.592 963 1HD2 LEU 126 HD21 LEU 126 -6.343 8.667 5.501 964 2HD2 LEU 126 HD22 LEU 126 -7.299 10.109 5.846 965 3HD2 LEU 126 HD23 LEU 126 -6.040 9.594 6.969 966 H ARG 127 HN ARG 127 -6.168 12.378 1.425 967 HA ARG 127 HA ARG 127 -8.480 14.054 1.348 968 1HB ARG 127 HB2 ARG 127 -6.262 13.428 -0.618 969 2HB ARG 127 HB1 ARG 127 -7.431 14.726 -0.867 970 1HG ARG 127 HG2 ARG 127 -6.587 15.119 1.748 971 2HG ARG 127 HG1 ARG 127 -5.112 14.638 0.908 972 1HD ARG 127 HD2 ARG 127 -5.229 17.010 0.626 973 2HD ARG 127 HD1 ARG 127 -5.817 16.346 -0.910 974 HE ARG 127 HE ARG 127 -7.993 17.097 -0.353 975 1HH1 ARG 127 HH11 ARG 127 -5.890 17.050 2.385 976 2HH1 ARG 127 HH12 ARG 127 -7.019 17.854 3.429 977 1HH2 ARG 127 HH21 ARG 127 -9.470 18.139 0.988 978 2HH2 ARG 127 HH22 ARG 127 -9.042 18.481 2.629 979 H LEU 128 HN LEU 128 -7.664 11.125 -0.489 980 HA LEU 128 HA LEU 128 -10.127 11.399 -2.118 981 1HB LEU 128 HB2 LEU 128 -7.533 10.340 -2.435 982 2HB LEU 128 HB1 LEU 128 -8.618 8.949 -2.443 983 HG LEU 128 HG LEU 128 -10.058 10.267 -4.098 984 1HD1 LEU 128 HD11 LEU 128 -9.022 12.093 -5.286 985 2HD1 LEU 128 HD12 LEU 128 -7.499 11.858 -4.428 986 3HD1 LEU 128 HD13 LEU 128 -8.916 12.456 -3.563 987 1HD2 LEU 128 HD21 LEU 128 -8.888 8.483 -5.064 988 2HD2 LEU 128 HD22 LEU 128 -7.313 9.171 -4.671 989 3HD2 LEU 128 HD23 LEU 128 -8.272 9.854 -5.985 990 H ALA 129 HN ALA 129 -9.130 9.964 0.816 991 HA ALA 129 HA ALA 129 -10.681 7.553 0.792 992 1HB ALA 129 HB1 ALA 129 -10.510 8.626 3.410 993 2HB ALA 129 HB2 ALA 129 -9.041 9.105 2.558 994 3HB ALA 129 HB3 ALA 129 -9.475 7.399 2.681 995 HA PRO 130 HA PRO 130 -12.057 6.312 1.489 996 1HB PRO 130 HB2 PRO 130 -14.337 5.425 0.260 997 2HB PRO 130 HB1 PRO 130 -14.181 5.589 2.021 998 1HG PRO 130 HG2 PRO 130 -15.506 7.391 0.064 999 2HG PRO 130 HG1 PRO 130 -15.987 6.958 1.710 1000 1HD PRO 130 HD2 PRO 130 -14.794 9.323 1.064 1001 2HD PRO 130 HD1 PRO 130 -14.667 8.557 2.661 1002 H VAL 131 HN VAL 131 -10.697 5.875 -0.190 1003 HA VAL 131 HA VAL 131 -10.721 7.269 -2.690 1004 HB VAL 131 HB VAL 131 -9.498 4.568 -2.079 1005 1HG1 VAL 131 HG11 VAL 131 -7.707 5.396 -3.572 1006 2HG1 VAL 131 HG12 VAL 131 -8.608 6.890 -3.817 1007 3HG1 VAL 131 HG13 VAL 131 -9.266 5.360 -4.397 1008 1HG2 VAL 131 HG21 VAL 131 -8.948 7.254 -0.939 1009 2HG2 VAL 131 HG22 VAL 131 -7.536 6.337 -1.467 1010 3HG2 VAL 131 HG23 VAL 131 -8.627 5.657 -0.263 1011 H GLU 132 HN GLU 132 -11.002 6.182 -4.837 1012 HA GLU 132 HA GLU 132 -13.407 4.414 -4.807 1013 1HB GLU 132 HB2 GLU 132 -12.088 6.198 -6.876 1014 2HB GLU 132 HB1 GLU 132 -13.483 5.178 -7.231 1015 1HG GLU 132 HG2 GLU 132 -14.719 6.313 -5.373 1016 2HG GLU 132 HG1 GLU 132 -13.349 7.409 -5.183 1017 H THR 133 HN THR 133 -12.616 2.298 -4.668 1018 HA THR 133 HA THR 133 -10.348 1.492 -6.426 1019 HB THR 133 HB THR 133 -10.933 -0.691 -4.978 1020 HG1 THR 133 HG1 THR 133 -11.743 -0.041 -2.977 1021 1HG2 THR 133 HG21 THR 133 -9.550 1.767 -3.872 1022 2HG2 THR 133 HG22 THR 133 -8.809 0.561 -4.924 1023 3HG2 THR 133 HG23 THR 133 -9.322 0.115 -3.297 1024 H MET 134 HN MET 134 -10.816 0.451 -8.352 1025 HA MET 134 HA MET 134 -13.563 -0.175 -9.080 1026 1HB MET 134 HB2 MET 134 -10.893 -0.747 -10.395 1027 2HB MET 134 HB1 MET 134 -12.458 -0.941 -11.179 1028 1HG MET 134 HG2 MET 134 -12.918 1.484 -10.748 1029 2HG MET 134 HG1 MET 134 -11.275 1.642 -10.120 1030 1HE MET 134 HE1 MET 134 -11.365 3.353 -13.685 1031 2HE MET 134 HE2 MET 134 -11.119 3.611 -11.960 1032 3HE MET 134 HE3 MET 134 -12.722 3.193 -12.560 1033 H ALA 135 HN ALA 135 -10.707 -2.151 -8.206 1034 HA ALA 135 HA ALA 135 -12.157 -4.658 -8.699 1035 1HB ALA 135 HB1 ALA 135 -9.588 -3.993 -8.842 1036 2HB ALA 135 HB2 ALA 135 -10.065 -5.624 -8.372 1037 3HB ALA 135 HB3 ALA 135 -9.605 -4.451 -7.141 Start of MODEL 22 1 1H MET 1 HT1 MET 1 -0.921 9.106 20.706 2 2H MET 1 HT2 MET 1 -2.172 8.330 21.555 3 3H MET 1 HT3 MET 1 -2.234 8.438 19.860 4 HA MET 1 HA MET 1 -0.015 7.026 21.222 5 1HB MET 1 HB2 MET 1 -2.593 6.412 21.707 6 2HB MET 1 HB1 MET 1 -2.395 5.566 20.172 7 1HG MET 1 HG2 MET 1 -0.467 4.344 21.048 8 2HG MET 1 HG1 MET 1 -0.566 5.236 22.566 9 1HE MET 1 HE1 MET 1 -2.771 1.616 21.152 10 2HE MET 1 HE2 MET 1 -1.450 2.533 20.435 11 3HE MET 1 HE3 MET 1 -3.112 3.057 20.184 12 H LEU 2 HN LEU 2 0.389 8.563 18.955 13 HA LEU 2 HA LEU 2 -0.237 7.410 16.437 14 1HB LEU 2 HB2 LEU 2 0.810 9.631 16.852 15 2HB LEU 2 HB1 LEU 2 2.300 8.816 17.335 16 HG LEU 2 HG LEU 2 2.274 7.677 15.061 17 1HD1 LEU 2 HD11 LEU 2 0.942 9.031 13.334 18 2HD1 LEU 2 HD12 LEU 2 0.045 9.685 14.702 19 3HD1 LEU 2 HD13 LEU 2 0.009 7.953 14.376 20 1HD2 LEU 2 HD21 LEU 2 2.935 10.433 15.761 21 2HD2 LEU 2 HD22 LEU 2 2.595 10.261 14.038 22 3HD2 LEU 2 HD23 LEU 2 3.850 9.277 14.792 23 H SER 3 HN SER 3 2.264 6.643 18.790 24 HA SER 3 HA SER 3 3.830 4.890 18.888 25 1HB SER 3 HB2 SER 3 1.386 3.781 17.515 26 2HB SER 3 HB1 SER 3 2.752 2.750 17.934 27 HG SER 3 HG SER 3 1.460 4.481 19.773 28 H GLN 4 HN GLN 4 2.759 3.400 15.953 29 HA GLN 4 HA GLN 4 4.951 4.691 14.398 30 1HB GLN 4 HB2 GLN 4 4.641 1.702 14.800 31 2HB GLN 4 HB1 GLN 4 5.963 2.525 13.969 32 1HG GLN 4 HG2 GLN 4 6.439 3.739 16.145 33 2HG GLN 4 HG1 GLN 4 5.287 2.652 16.918 34 1HE2 GLN 4 HE21 GLN 4 8.221 2.794 17.410 35 2HE2 GLN 4 HE22 GLN 4 8.833 1.256 17.036 36 H ILE 5 HN ILE 5 4.934 3.773 12.085 37 HA ILE 5 HA ILE 5 2.118 3.693 11.112 38 HB ILE 5 HB ILE 5 4.805 4.080 9.751 39 1HG1 ILE 5 HG12 ILE 5 2.721 6.167 10.436 40 2HG1 ILE 5 HG11 ILE 5 4.111 5.818 11.464 41 1HG2 ILE 5 HG21 ILE 5 2.107 4.866 8.662 42 2HG2 ILE 5 HG22 ILE 5 2.779 3.262 8.377 43 3HG2 ILE 5 HG23 ILE 5 3.634 4.691 7.799 44 1HD1 ILE 5 HD11 ILE 5 4.062 7.020 8.710 45 2HD1 ILE 5 HD12 ILE 5 5.490 6.145 9.259 46 3HD1 ILE 5 HD13 ILE 5 4.931 7.563 10.145 47 H ALA 6 HN ALA 6 1.324 1.855 10.020 48 HA ALA 6 HA ALA 6 3.131 -0.513 9.956 49 1HB ALA 6 HB1 ALA 6 1.000 -0.678 11.147 50 2HB ALA 6 HB2 ALA 6 0.962 -1.714 9.720 51 3HB ALA 6 HB3 ALA 6 0.132 -0.159 9.702 52 H ILE 7 HN ILE 7 4.176 -0.644 8.022 53 HA ILE 7 HA ILE 7 2.604 -0.093 5.533 54 HB ILE 7 HB ILE 7 5.577 0.090 6.128 55 1HG1 ILE 7 HG12 ILE 7 3.533 2.257 5.564 56 2HG1 ILE 7 HG11 ILE 7 4.112 1.829 7.173 57 1HG2 ILE 7 HG21 ILE 7 4.296 -0.282 3.658 58 2HG2 ILE 7 HG22 ILE 7 5.950 0.276 3.913 59 3HG2 ILE 7 HG23 ILE 7 4.642 1.446 3.739 60 1HD1 ILE 7 HD11 ILE 7 5.848 3.218 6.874 61 2HD1 ILE 7 HD12 ILE 7 5.362 3.531 5.210 62 3HD1 ILE 7 HD13 ILE 7 6.423 2.172 5.576 63 H CYS 8 HN CYS 8 1.981 -2.051 4.698 64 HA CYS 8 HA CYS 8 3.670 -4.445 5.124 65 1HB CYS 8 HB2 CYS 8 1.273 -4.600 5.500 66 2HB CYS 8 HB1 CYS 8 0.938 -3.933 3.902 67 HG CYS 8 HG CYS 8 2.052 -6.141 2.889 68 H ILE 9 HN ILE 9 5.309 -4.687 3.644 69 HA ILE 9 HA ILE 9 4.835 -3.710 0.871 70 HB ILE 9 HB ILE 9 6.796 -2.932 2.162 71 1HG1 ILE 9 HG12 ILE 9 6.783 -3.667 -0.451 72 2HG1 ILE 9 HG11 ILE 9 8.189 -2.952 0.328 73 1HG2 ILE 9 HG21 ILE 9 8.614 -4.792 2.436 74 2HG2 ILE 9 HG22 ILE 9 7.226 -5.881 2.405 75 3HG2 ILE 9 HG23 ILE 9 7.335 -4.625 3.640 76 1HD1 ILE 9 HD11 ILE 9 7.825 -5.932 0.414 77 2HD1 ILE 9 HD12 ILE 9 9.311 -4.987 0.474 78 3HD1 ILE 9 HD13 ILE 9 8.447 -5.173 -1.049 79 H TRP 10 HN TRP 10 5.069 -5.087 -0.890 80 HA TRP 10 HA TRP 10 5.358 -8.009 -0.271 81 1HB TRP 10 HB2 TRP 10 3.037 -7.528 -0.796 82 2HB TRP 10 HB1 TRP 10 3.509 -6.586 -2.216 83 HD1 TRP 10 HD1 TRP 10 5.326 -9.813 -1.417 84 HE1 TRP 10 HE1 TRP 10 4.800 -11.564 -3.234 85 HE3 TRP 10 HE3 TRP 10 1.635 -7.360 -3.960 86 HZ2 TRP 10 HZ2 TRP 10 3.038 -11.884 -5.468 87 HZ3 TRP 10 HZ3 TRP 10 0.552 -8.414 -5.923 88 HH2 TRP 10 HH2 TRP 10 1.247 -10.669 -6.681 89 H VAL 11 HN VAL 11 7.167 -8.750 -1.231 90 HA VAL 11 HA VAL 11 7.812 -8.069 -3.995 91 HB VAL 11 HB VAL 11 8.460 -6.069 -2.653 92 1HG1 VAL 11 HG11 VAL 11 10.360 -7.989 -1.288 93 2HG1 VAL 11 HG12 VAL 11 8.919 -7.289 -0.550 94 3HG1 VAL 11 HG13 VAL 11 10.266 -6.249 -1.017 95 1HG2 VAL 11 HG21 VAL 11 9.905 -6.010 -4.407 96 2HG2 VAL 11 HG22 VAL 11 10.331 -7.710 -4.236 97 3HG2 VAL 11 HG23 VAL 11 11.110 -6.502 -3.215 98 H GLU 12 HN GLU 12 8.673 -9.944 -4.771 99 HA GLU 12 HA GLU 12 9.597 -12.041 -2.941 100 1HB GLU 12 HB2 GLU 12 9.105 -11.698 -5.882 101 2HB GLU 12 HB1 GLU 12 9.998 -13.112 -5.316 102 1HG GLU 12 HG2 GLU 12 8.128 -13.640 -3.768 103 2HG GLU 12 HG1 GLU 12 7.232 -12.260 -4.404 104 H SER 13 HN SER 13 11.121 -9.352 -3.920 105 HA SER 13 HA SER 13 13.771 -10.700 -4.322 106 1HB SER 13 HB2 SER 13 12.577 -9.037 -6.011 107 2HB SER 13 HB1 SER 13 13.204 -7.811 -4.910 108 HG SER 13 HG SER 13 14.546 -9.598 -6.586 109 H THR 14 HN THR 14 15.387 -10.214 -2.792 110 HA THR 14 HA THR 14 14.564 -8.909 -0.319 111 HB THR 14 HB THR 14 17.421 -9.460 -0.907 112 HG1 THR 14 HG1 THR 14 15.858 -11.695 -0.450 113 1HG2 THR 14 HG21 THR 14 16.106 -10.895 1.261 114 2HG2 THR 14 HG22 THR 14 15.797 -9.159 1.336 115 3HG2 THR 14 HG23 THR 14 17.456 -9.764 1.326 116 H ALA 15 HN ALA 15 16.884 -8.091 -2.920 117 HA ALA 15 HA ALA 15 17.922 -5.703 -1.840 118 1HB ALA 15 HB1 ALA 15 17.569 -5.304 -4.607 119 2HB ALA 15 HB2 ALA 15 17.685 -7.053 -4.405 120 3HB ALA 15 HB3 ALA 15 18.982 -6.009 -3.820 121 H ILE 16 HN ILE 16 15.000 -6.151 -3.854 122 HA ILE 16 HA ILE 16 14.175 -3.388 -3.799 123 HB ILE 16 HB ILE 16 12.746 -6.033 -4.193 124 1HG1 ILE 16 HG12 ILE 16 13.504 -3.913 -6.215 125 2HG1 ILE 16 HG11 ILE 16 14.553 -5.275 -5.818 126 1HG2 ILE 16 HG21 ILE 16 11.015 -4.511 -5.338 127 2HG2 ILE 16 HG22 ILE 16 11.764 -3.188 -4.442 128 3HG2 ILE 16 HG23 ILE 16 11.017 -4.532 -3.575 129 1HD1 ILE 16 HD11 ILE 16 12.718 -6.837 -6.425 130 2HD1 ILE 16 HD12 ILE 16 13.202 -5.823 -7.784 131 3HD1 ILE 16 HD13 ILE 16 11.725 -5.457 -6.894 132 H LEU 17 HN LEU 17 13.309 -6.259 -1.884 133 HA LEU 17 HA LEU 17 11.425 -5.088 -0.115 134 1HB LEU 17 HB2 LEU 17 11.690 -7.444 -0.143 135 2HB LEU 17 HB1 LEU 17 13.438 -7.336 -0.002 136 HG LEU 17 HG LEU 17 12.050 -8.044 2.088 137 1HD1 LEU 17 HD11 LEU 17 13.904 -7.506 3.288 138 2HD1 LEU 17 HD12 LEU 17 13.811 -5.801 2.851 139 3HD1 LEU 17 HD13 LEU 17 14.527 -6.961 1.730 140 1HD2 LEU 17 HD21 LEU 17 10.788 -5.634 1.585 141 2HD2 LEU 17 HD22 LEU 17 11.923 -5.213 2.867 142 3HD2 LEU 17 HD23 LEU 17 10.744 -6.501 3.118 143 H GLN 18 HN GLN 18 14.965 -5.399 0.127 144 HA GLN 18 HA GLN 18 15.206 -4.015 2.656 145 1HB GLN 18 HB2 GLN 18 17.058 -4.646 0.344 146 2HB GLN 18 HB1 GLN 18 17.621 -3.767 1.761 147 1HG GLN 18 HG2 GLN 18 16.870 -5.640 3.207 148 2HG GLN 18 HG1 GLN 18 16.375 -6.531 1.767 149 1HE2 GLN 18 HE21 GLN 18 18.017 -8.216 2.223 150 2HE2 GLN 18 HE22 GLN 18 19.663 -7.915 1.935 151 H ASP 19 HN ASP 19 15.483 -2.988 -0.745 152 HA ASP 19 HA ASP 19 16.195 -0.269 -0.285 153 1HB ASP 19 HB2 ASP 19 14.653 -1.704 -2.465 154 2HB ASP 19 HB1 ASP 19 15.182 -0.023 -2.601 155 H CYS 20 HN CYS 20 12.972 -1.792 -0.694 156 HA CYS 20 HA CYS 20 11.447 0.615 -0.375 157 1HB CYS 20 HB2 CYS 20 10.889 -2.318 0.168 158 2HB CYS 20 HB1 CYS 20 9.643 -1.073 0.266 159 HG CYS 20 HG CYS 20 9.875 -2.227 -2.201 160 H GLN 21 HN GLN 21 12.825 -1.691 1.905 161 HA GLN 21 HA GLN 21 11.580 -0.588 4.295 162 1HB GLN 21 HB2 GLN 21 13.704 -2.542 3.540 163 2HB GLN 21 HB1 GLN 21 13.654 -1.968 5.211 164 1HG GLN 21 HG2 GLN 21 11.303 -2.610 5.389 165 2HG GLN 21 HG1 GLN 21 11.301 -3.135 3.703 166 1HE2 GLN 21 HE21 GLN 21 10.602 -5.124 5.223 167 2HE2 GLN 21 HE22 GLN 21 11.865 -6.200 5.565 168 H ARG 22 HN ARG 22 14.837 -0.413 2.836 169 HA ARG 22 HA ARG 22 16.238 1.151 4.644 170 1HB ARG 22 HB2 ARG 22 16.065 1.047 1.641 171 2HB ARG 22 HB1 ARG 22 17.179 2.170 2.422 172 1HG ARG 22 HG2 ARG 22 18.323 0.368 3.547 173 2HG ARG 22 HG1 ARG 22 17.100 -0.795 3.035 174 1HD ARG 22 HD2 ARG 22 17.751 -0.539 0.703 175 2HD ARG 22 HD1 ARG 22 18.890 0.753 1.128 176 HE ARG 22 HE ARG 22 19.491 -1.515 2.738 177 1HH1 ARG 22 HH11 ARG 22 19.549 -0.427 -0.536 178 2HH1 ARG 22 HH12 ARG 22 20.846 -1.474 -1.000 179 1HH2 ARG 22 HH21 ARG 22 21.185 -2.889 2.145 180 2HH2 ARG 22 HH22 ARG 22 21.769 -2.871 0.515 181 H ALA 23 HN ALA 23 14.174 2.400 2.008 182 HA ALA 23 HA ALA 23 14.328 5.151 2.777 183 1HB ALA 23 HB1 ALA 23 13.557 3.978 0.600 184 2HB ALA 23 HB2 ALA 23 12.633 5.394 1.110 185 3HB ALA 23 HB3 ALA 23 12.009 3.770 1.418 186 H LEU 24 HN LEU 24 11.822 2.651 3.404 187 HA LEU 24 HA LEU 24 10.505 4.403 5.388 188 1HB LEU 24 HB2 LEU 24 9.927 1.573 4.451 189 2HB LEU 24 HB1 LEU 24 8.817 2.646 5.306 190 HG LEU 24 HG LEU 24 10.014 3.115 2.574 191 1HD1 LEU 24 HD11 LEU 24 8.219 1.871 1.998 192 2HD1 LEU 24 HD12 LEU 24 7.304 3.335 2.354 193 3HD1 LEU 24 HD13 LEU 24 7.450 2.065 3.571 194 1HD2 LEU 24 HD21 LEU 24 8.061 5.017 3.024 195 2HD2 LEU 24 HD22 LEU 24 9.799 5.274 3.152 196 3HD2 LEU 24 HD23 LEU 24 8.870 4.902 4.588 197 H SER 25 HN SER 25 12.931 4.004 6.396 198 HA SER 25 HA SER 25 12.739 1.686 8.278 199 1HB SER 25 HB2 SER 25 14.981 3.297 7.066 200 2HB SER 25 HB1 SER 25 15.253 2.374 8.542 201 HG SER 25 HG SER 25 14.850 0.524 7.469 202 H ALA 26 HN ALA 26 11.572 4.585 8.312 203 HA ALA 26 HA ALA 26 12.806 6.154 10.303 204 1HB ALA 26 HB1 ALA 26 9.948 6.185 10.594 205 2HB ALA 26 HB2 ALA 26 10.333 5.974 8.884 206 3HB ALA 26 HB3 ALA 26 10.970 7.362 9.767 207 H ASP 27 HN ASP 27 12.542 6.206 12.588 208 HA ASP 27 HA ASP 27 12.511 3.721 13.954 209 1HB ASP 27 HB2 ASP 27 13.362 6.114 14.564 210 2HB ASP 27 HB1 ASP 27 11.738 6.342 15.215 211 H ARG 28 HN ARG 28 9.875 5.709 12.871 212 HA ARG 28 HA ARG 28 7.973 4.311 14.703 213 1HB ARG 28 HB2 ARG 28 6.427 6.106 13.774 214 2HB ARG 28 HB1 ARG 28 7.812 6.715 14.678 215 1HG ARG 28 HG2 ARG 28 8.908 7.454 12.768 216 2HG ARG 28 HG1 ARG 28 8.063 6.316 11.719 217 1HD ARG 28 HD2 ARG 28 6.143 7.648 11.596 218 2HD ARG 28 HD1 ARG 28 6.499 8.467 13.130 219 HE ARG 28 HE ARG 28 8.618 8.958 11.255 220 1HH1 ARG 28 HH11 ARG 28 5.329 9.734 11.979 221 2HH1 ARG 28 HH12 ARG 28 5.410 11.307 11.261 222 1HH2 ARG 28 HH21 ARG 28 8.730 11.008 10.316 223 2HH2 ARG 28 HH22 ARG 28 7.329 12.027 10.318 224 H TYR 29 HN TYR 29 9.290 3.166 12.155 225 HA TYR 29 HA TYR 29 6.855 2.806 10.471 226 1HB TYR 29 HB2 TYR 29 9.797 2.763 10.110 227 2HB TYR 29 HB1 TYR 29 8.873 1.633 9.114 228 HD1 TYR 29 HD1 TYR 29 8.486 5.153 10.338 229 HD2 TYR 29 HD2 TYR 29 8.237 2.436 7.034 230 HE1 TYR 29 HE1 TYR 29 7.790 7.025 8.866 231 HE2 TYR 29 HE2 TYR 29 7.528 4.298 5.562 232 HH TYR 29 HH TYR 29 7.394 6.560 5.392 233 H GLN 30 HN GLN 30 5.769 0.955 10.520 234 HA GLN 30 HA GLN 30 7.031 -1.472 11.758 235 1HB GLN 30 HB2 GLN 30 5.128 -0.506 13.002 236 2HB GLN 30 HB1 GLN 30 4.137 -0.557 11.544 237 1HG GLN 30 HG2 GLN 30 4.316 -2.999 11.472 238 2HG GLN 30 HG1 GLN 30 5.368 -2.980 12.887 239 1HE2 GLN 30 HE21 GLN 30 3.876 -0.886 14.326 240 2HE2 GLN 30 HE22 GLN 30 2.408 -1.583 14.814 241 H LEU 31 HN LEU 31 7.903 -2.156 9.714 242 HA LEU 31 HA LEU 31 6.076 -2.459 7.426 243 1HB LEU 31 HB2 LEU 31 9.007 -3.093 7.813 244 2HB LEU 31 HB1 LEU 31 8.168 -2.972 6.270 245 HG LEU 31 HG LEU 31 7.622 -0.599 7.769 246 1HD1 LEU 31 HD11 LEU 31 10.587 -1.051 7.375 247 2HD1 LEU 31 HD12 LEU 31 9.791 -1.349 8.920 248 3HD1 LEU 31 HD13 LEU 31 9.790 0.272 8.227 249 1HD2 LEU 31 HD21 LEU 31 9.554 -0.691 5.481 250 2HD2 LEU 31 HD22 LEU 31 8.208 0.417 5.762 251 3HD2 LEU 31 HD23 LEU 31 7.895 -1.225 5.197 252 H GLN 32 HN GLN 32 5.225 -4.347 6.751 253 HA GLN 32 HA GLN 32 6.054 -6.886 8.115 254 1HB GLN 32 HB2 GLN 32 3.698 -5.932 8.428 255 2HB GLN 32 HB1 GLN 32 3.451 -6.221 6.705 256 1HG GLN 32 HG2 GLN 32 2.594 -8.108 8.030 257 2HG GLN 32 HG1 GLN 32 3.956 -8.616 7.033 258 1HE2 GLN 32 HE21 GLN 32 5.577 -9.732 8.139 259 2HE2 GLN 32 HE22 GLN 32 5.827 -9.672 9.818 260 H VAL 33 HN VAL 33 7.352 -8.028 6.692 261 HA VAL 33 HA VAL 33 7.161 -7.538 3.799 262 HB VAL 33 HB VAL 33 8.864 -9.438 5.433 263 1HG1 VAL 33 HG11 VAL 33 8.773 -9.980 3.032 264 2HG1 VAL 33 HG12 VAL 33 10.356 -9.337 3.469 265 3HG1 VAL 33 HG13 VAL 33 9.189 -8.314 2.633 266 1HG2 VAL 33 HG21 VAL 33 10.555 -7.512 4.945 267 2HG2 VAL 33 HG22 VAL 33 9.388 -7.297 6.249 268 3HG2 VAL 33 HG23 VAL 33 9.111 -6.534 4.684 269 H CYS 34 HN CYS 34 5.837 -8.673 2.524 270 HA CYS 34 HA CYS 34 4.776 -11.299 3.475 271 1HB CYS 34 HB2 CYS 34 3.921 -9.388 1.275 272 2HB CYS 34 HB1 CYS 34 3.046 -10.843 1.753 273 HG CYS 34 HG CYS 34 3.143 -9.504 4.257 274 H GLU 35 HN GLU 35 6.095 -12.945 2.771 275 HA GLU 35 HA GLU 35 7.872 -12.904 0.572 276 1HB GLU 35 HB2 GLU 35 6.321 -15.146 1.905 277 2HB GLU 35 HB1 GLU 35 7.691 -15.403 0.826 278 1HG GLU 35 HG2 GLU 35 8.971 -13.797 2.408 279 2HG GLU 35 HG1 GLU 35 7.661 -14.112 3.547 280 H SER 36 HN SER 36 4.404 -13.579 0.714 281 HA SER 36 HA SER 36 4.441 -14.089 -2.246 282 1HB SER 36 HB2 SER 36 2.748 -15.066 0.053 283 2HB SER 36 HB1 SER 36 2.193 -15.204 -1.613 284 HG SER 36 HG SER 36 3.328 -17.065 -0.982 285 H GLY 37 HN GLY 37 1.850 -13.657 -2.892 286 1HA GLY 37 HA2 GLY 37 1.440 -10.781 -2.198 287 2HA GLY 37 HA1 GLY 37 0.854 -11.557 -3.678 288 H GLU 38 HN GLU 38 0.142 -13.981 -2.205 289 HA GLU 38 HA GLU 38 -2.584 -13.319 -1.476 290 1HB GLU 38 HB2 GLU 38 -0.776 -15.748 -1.441 291 2HB GLU 38 HB1 GLU 38 -2.445 -15.827 -0.904 292 1HG GLU 38 HG2 GLU 38 -2.979 -14.691 -3.197 293 2HG GLU 38 HG1 GLU 38 -1.379 -15.279 -3.655 294 H MET 39 HN MET 39 0.419 -14.173 0.182 295 HA MET 39 HA MET 39 -0.556 -14.476 2.833 296 1HB MET 39 HB2 MET 39 2.034 -13.598 1.541 297 2HB MET 39 HB1 MET 39 1.904 -13.720 3.293 298 1HG MET 39 HG2 MET 39 0.964 -16.030 1.647 299 2HG MET 39 HG1 MET 39 2.701 -15.791 1.826 300 1HE MET 39 HE1 MET 39 3.619 -16.292 5.310 301 2HE MET 39 HE2 MET 39 3.923 -15.523 3.756 302 3HE MET 39 HE3 MET 39 3.860 -17.279 3.863 303 H LEU 40 HN LEU 40 0.598 -11.637 1.069 304 HA LEU 40 HA LEU 40 0.428 -9.714 3.152 305 1HB LEU 40 HB2 LEU 40 1.498 -8.841 1.336 306 2HB LEU 40 HB1 LEU 40 0.652 -9.915 0.229 307 HG LEU 40 HG LEU 40 -1.340 -8.439 0.351 308 1HD1 LEU 40 HD11 LEU 40 -1.451 -6.570 1.691 309 2HD1 LEU 40 HD12 LEU 40 0.290 -6.300 1.634 310 3HD1 LEU 40 HD13 LEU 40 -0.373 -7.550 2.685 311 1HD2 LEU 40 HD21 LEU 40 0.418 -6.345 -0.418 312 2HD2 LEU 40 HD22 LEU 40 -0.398 -7.507 -1.467 313 3HD2 LEU 40 HD23 LEU 40 1.212 -7.866 -0.841 314 H LEU 41 HN LEU 41 -2.005 -10.789 0.762 315 HA LEU 41 HA LEU 41 -4.086 -8.980 1.391 316 1HB LEU 41 HB2 LEU 41 -4.197 -11.922 0.631 317 2HB LEU 41 HB1 LEU 41 -5.519 -10.773 0.449 318 HG LEU 41 HG LEU 41 -2.815 -10.427 -0.860 319 1HD1 LEU 41 HD11 LEU 41 -4.939 -12.228 -1.511 320 2HD1 LEU 41 HD12 LEU 41 -3.465 -11.911 -2.426 321 3HD1 LEU 41 HD13 LEU 41 -4.913 -10.952 -2.728 322 1HD2 LEU 41 HD21 LEU 41 -5.507 -9.088 -1.264 323 2HD2 LEU 41 HD22 LEU 41 -4.062 -8.776 -2.227 324 3HD2 LEU 41 HD23 LEU 41 -4.090 -8.353 -0.513 325 H GLU 42 HN GLU 42 -3.349 -12.180 2.836 326 HA GLU 42 HA GLU 42 -5.534 -12.243 4.669 327 1HB GLU 42 HB2 GLU 42 -4.047 -14.131 4.070 328 2HB GLU 42 HB1 GLU 42 -2.719 -13.349 4.926 329 1HG GLU 42 HG2 GLU 42 -4.052 -13.413 7.021 330 2HG GLU 42 HG1 GLU 42 -5.338 -14.257 6.154 331 H TYR 43 HN TYR 43 -2.224 -10.935 5.053 332 HA TYR 43 HA TYR 43 -2.500 -10.150 7.792 333 1HB TYR 43 HB2 TYR 43 -0.332 -10.277 6.812 334 2HB TYR 43 HB1 TYR 43 -0.798 -9.243 5.463 335 HD1 TYR 43 HD1 TYR 43 -1.877 -8.530 8.904 336 HD2 TYR 43 HD2 TYR 43 1.007 -7.631 5.851 337 HE1 TYR 43 HE1 TYR 43 -1.140 -6.541 10.189 338 HE2 TYR 43 HE2 TYR 43 1.741 -5.639 7.136 339 HH TYR 43 HH TYR 43 0.092 -4.657 10.117 340 H ALA 44 HN ALA 44 -3.147 -8.426 4.742 341 HA ALA 44 HA ALA 44 -4.033 -6.005 6.155 342 1HB ALA 44 HB1 ALA 44 -2.802 -6.186 3.911 343 2HB ALA 44 HB2 ALA 44 -4.212 -5.126 3.932 344 3HB ALA 44 HB3 ALA 44 -4.334 -6.741 3.232 345 H GLN 45 HN GLN 45 -5.422 -8.985 5.182 346 HA GLN 45 HA GLN 45 -8.142 -8.005 4.716 347 1HB GLN 45 HB2 GLN 45 -6.686 -10.611 4.926 348 2HB GLN 45 HB1 GLN 45 -8.443 -10.629 5.108 349 1HG GLN 45 HG2 GLN 45 -8.752 -9.591 2.969 350 2HG GLN 45 HG1 GLN 45 -7.022 -9.292 2.804 351 1HE2 GLN 45 HE21 GLN 45 -7.914 -10.674 0.704 352 2HE2 GLN 45 HE22 GLN 45 -7.596 -12.337 0.824 353 H THR 46 HN THR 46 -6.294 -8.306 7.502 354 HA THR 46 HA THR 46 -8.780 -8.548 9.158 355 HB THR 46 HB THR 46 -7.726 -10.216 10.510 356 HG1 THR 46 HG1 THR 46 -5.678 -9.241 10.610 357 1HG2 THR 46 HG21 THR 46 -6.857 -10.748 7.648 358 2HG2 THR 46 HG22 THR 46 -8.500 -10.973 8.249 359 3HG2 THR 46 HG23 THR 46 -7.184 -11.960 8.885 360 H HIS 47 HN HIS 47 -6.941 -6.326 8.285 361 HA HIS 47 HA HIS 47 -6.849 -4.853 10.758 362 1HB HIS 47 HB2 HIS 47 -4.563 -6.523 9.938 363 2HB HIS 47 HB1 HIS 47 -4.124 -4.854 10.297 364 HD1 HIS 47 HD1 HIS 47 -3.176 -7.026 12.211 365 HD2 HIS 47 HD2 HIS 47 -6.799 -5.023 12.690 366 HE1 HIS 47 HE1 HIS 47 -3.797 -7.255 14.656 367 H ARG 48 HN ARG 48 -7.596 -4.665 7.876 368 HA ARG 48 HA ARG 48 -6.042 -3.158 6.165 369 1HB ARG 48 HB2 ARG 48 -8.778 -2.076 6.715 370 2HB ARG 48 HB1 ARG 48 -8.034 -2.488 5.175 371 1HG ARG 48 HG2 ARG 48 -8.214 -4.931 5.947 372 2HG ARG 48 HG1 ARG 48 -9.304 -4.330 7.191 373 1HD ARG 48 HD2 ARG 48 -10.889 -3.579 5.597 374 2HD ARG 48 HD1 ARG 48 -9.728 -3.683 4.266 375 HE ARG 48 HE ARG 48 -9.705 -6.169 4.623 376 1HH1 ARG 48 HH11 ARG 48 -12.361 -4.310 5.915 377 2HH1 ARG 48 HH12 ARG 48 -13.415 -5.674 5.982 378 1HH2 ARG 48 HH21 ARG 48 -11.088 -7.909 4.742 379 2HH2 ARG 48 HH22 ARG 48 -12.706 -7.696 5.323 380 H ASP 49 HN ASP 49 -8.082 -1.761 8.709 381 HA ASP 49 HA ASP 49 -7.173 0.924 8.462 382 1HB ASP 49 HB2 ASP 49 -9.164 -0.163 9.737 383 2HB ASP 49 HB1 ASP 49 -8.017 -0.357 11.063 384 H GLN 50 HN GLN 50 -5.828 -1.804 10.301 385 HA GLN 50 HA GLN 50 -3.948 -0.251 11.837 386 1HB GLN 50 HB2 GLN 50 -3.825 -3.122 10.858 387 2HB GLN 50 HB1 GLN 50 -2.917 -2.453 12.211 388 1HG GLN 50 HG2 GLN 50 -5.904 -2.873 12.003 389 2HG GLN 50 HG1 GLN 50 -4.790 -3.540 13.199 390 1HE2 GLN 50 HE21 GLN 50 -7.183 -1.326 13.021 391 2HE2 GLN 50 HE22 GLN 50 -6.625 -0.173 14.134 392 H ILE 51 HN ILE 51 -3.818 -1.830 8.653 393 HA ILE 51 HA ILE 51 -1.020 -1.333 8.148 394 HB ILE 51 HB ILE 51 -3.282 -1.543 6.143 395 1HG1 ILE 51 HG12 ILE 51 -3.727 -3.371 7.569 396 2HG1 ILE 51 HG11 ILE 51 -2.706 -4.065 6.315 397 1HG2 ILE 51 HG21 ILE 51 -0.881 -3.051 5.578 398 2HG2 ILE 51 HG22 ILE 51 -0.476 -1.366 5.904 399 3HG2 ILE 51 HG23 ILE 51 -1.629 -1.765 4.633 400 1HD1 ILE 51 HD11 ILE 51 -2.001 -3.372 9.155 401 2HD1 ILE 51 HD12 ILE 51 -0.741 -3.442 7.925 402 3HD1 ILE 51 HD13 ILE 51 -1.710 -4.870 8.277 403 H ASP 52 HN ASP 52 -0.110 0.651 7.800 404 HA ASP 52 HA ASP 52 -1.861 2.970 7.273 405 1HB ASP 52 HB2 ASP 52 0.950 2.442 8.167 406 2HB ASP 52 HB1 ASP 52 0.548 4.037 7.540 407 H CYS 53 HN CYS 53 0.819 1.235 5.644 408 HA CYS 53 HA CYS 53 0.051 2.613 3.101 409 1HB CYS 53 HB2 CYS 53 2.064 3.513 4.718 410 2HB CYS 53 HB1 CYS 53 2.951 2.395 3.685 411 HG CYS 53 HG CYS 53 1.168 4.299 2.091 412 H LEU 54 HN LEU 54 0.205 1.205 1.329 413 HA LEU 54 HA LEU 54 1.399 -1.495 1.889 414 1HB LEU 54 HB2 LEU 54 -0.952 -1.460 1.274 415 2HB LEU 54 HB1 LEU 54 -0.613 -0.448 -0.125 416 HG LEU 54 HG LEU 54 0.410 -2.202 -1.311 417 1HD1 LEU 54 HD11 LEU 54 2.015 -3.119 0.099 418 2HD1 LEU 54 HD12 LEU 54 0.848 -4.435 0.023 419 3HD1 LEU 54 HD13 LEU 54 0.868 -3.361 1.417 420 1HD2 LEU 54 HD21 LEU 54 -2.132 -2.607 -0.258 421 2HD2 LEU 54 HD22 LEU 54 -1.312 -4.134 0.063 422 3HD2 LEU 54 HD23 LEU 54 -1.415 -3.519 -1.587 423 H ILE 55 HN ILE 55 3.397 -1.910 0.916 424 HA ILE 55 HA ILE 55 4.218 -0.150 -1.351 425 HB ILE 55 HB ILE 55 5.710 -2.299 0.179 426 1HG1 ILE 55 HG12 ILE 55 5.925 0.703 0.500 427 2HG1 ILE 55 HG11 ILE 55 4.954 -0.317 1.566 428 1HG2 ILE 55 HG21 ILE 55 6.650 -1.844 -2.027 429 2HG2 ILE 55 HG22 ILE 55 7.705 -1.174 -0.780 430 3HG2 ILE 55 HG23 ILE 55 6.638 -0.111 -1.697 431 1HD1 ILE 55 HD11 ILE 55 7.512 -1.538 1.253 432 2HD1 ILE 55 HD12 ILE 55 6.790 -0.892 2.724 433 3HD1 ILE 55 HD13 ILE 55 7.763 0.148 1.685 434 H LEU 56 HN LEU 56 4.401 -1.002 -3.439 435 HA LEU 56 HA LEU 56 4.050 -3.950 -3.720 436 1HB LEU 56 HB2 LEU 56 2.416 -1.705 -4.907 437 2HB LEU 56 HB1 LEU 56 2.386 -3.344 -5.548 438 HG LEU 56 HG LEU 56 1.763 -2.581 -2.684 439 1HD1 LEU 56 HD11 LEU 56 -0.407 -3.855 -3.992 440 2HD1 LEU 56 HD12 LEU 56 0.162 -2.575 -5.065 441 3HD1 LEU 56 HD13 LEU 56 -0.321 -2.194 -3.412 442 1HD2 LEU 56 HD21 LEU 56 0.839 -5.068 -2.898 443 2HD2 LEU 56 HD22 LEU 56 2.529 -4.764 -2.494 444 3HD2 LEU 56 HD23 LEU 56 2.072 -5.175 -4.146 445 H VAL 57 HN VAL 57 4.833 -4.789 -5.710 446 HA VAL 57 HA VAL 57 6.657 -2.940 -7.231 447 HB VAL 57 HB VAL 57 6.865 -5.872 -6.450 448 1HG1 VAL 57 HG11 VAL 57 8.182 -6.094 -8.267 449 2HG1 VAL 57 HG12 VAL 57 9.328 -5.032 -7.450 450 3HG1 VAL 57 HG13 VAL 57 8.157 -4.356 -8.583 451 1HG2 VAL 57 HG21 VAL 57 7.597 -3.461 -5.136 452 2HG2 VAL 57 HG22 VAL 57 9.092 -4.222 -5.683 453 3HG2 VAL 57 HG23 VAL 57 7.976 -5.110 -4.647 454 H ALA 58 HN ALA 58 5.548 -2.588 -9.177 455 HA ALA 58 HA ALA 58 3.586 -4.296 -10.310 456 1HB ALA 58 HB1 ALA 58 4.755 -1.814 -10.784 457 2HB ALA 58 HB2 ALA 58 3.425 -2.532 -11.689 458 3HB ALA 58 HB3 ALA 58 5.085 -2.740 -12.248 459 H ALA 59 HN ALA 59 7.078 -4.436 -10.529 460 HA ALA 59 HA ALA 59 7.503 -5.846 -12.916 461 1HB ALA 59 HB1 ALA 59 9.578 -5.850 -12.022 462 2HB ALA 59 HB2 ALA 59 9.061 -6.892 -10.698 463 3HB ALA 59 HB3 ALA 59 8.876 -5.144 -10.568 464 H ASN 60 HN ASN 60 5.763 -6.922 -10.120 465 HA ASN 60 HA ASN 60 6.214 -9.764 -10.366 466 1HB ASN 60 HB2 ASN 60 4.300 -7.888 -9.037 467 2HB ASN 60 HB1 ASN 60 3.910 -9.612 -9.052 468 1HD2 ASN 60 HD21 ASN 60 5.787 -11.078 -8.265 469 2HD2 ASN 60 HD22 ASN 60 6.750 -10.490 -6.997 470 HA PRO 61 HA PRO 61 3.415 -10.842 -13.582 471 1HB PRO 61 HB2 PRO 61 2.527 -13.276 -12.714 472 2HB PRO 61 HB1 PRO 61 4.176 -13.007 -13.311 473 1HG PRO 61 HG2 PRO 61 3.201 -13.308 -10.533 474 2HG PRO 61 HG1 PRO 61 4.747 -13.784 -11.248 475 1HD PRO 61 HD2 PRO 61 4.321 -11.536 -9.671 476 2HD PRO 61 HD1 PRO 61 5.705 -11.794 -10.753 477 H SER 62 HN SER 62 1.622 -12.527 -11.064 478 HA SER 62 HA SER 62 -0.864 -11.171 -11.827 479 1HB SER 62 HB2 SER 62 -1.498 -12.774 -9.749 480 2HB SER 62 HB1 SER 62 -1.236 -13.394 -11.376 481 HG SER 62 HG SER 62 0.023 -14.176 -9.317 482 H PHE 63 HN PHE 63 1.183 -9.468 -10.534 483 HA PHE 63 HA PHE 63 0.607 -9.002 -7.773 484 1HB PHE 63 HB2 PHE 63 2.581 -8.067 -8.496 485 2HB PHE 63 HB1 PHE 63 1.930 -7.653 -10.078 486 HD1 PHE 63 HD1 PHE 63 1.881 -5.380 -10.492 487 HD2 PHE 63 HD2 PHE 63 1.107 -6.775 -6.512 488 HE1 PHE 63 HE1 PHE 63 1.551 -3.047 -9.744 489 HE2 PHE 63 HE2 PHE 63 0.768 -4.446 -5.759 490 HZ PHE 63 HZ PHE 63 0.988 -2.574 -7.372 491 H ARG 64 HN ARG 64 -0.606 -7.355 -10.722 492 HA ARG 64 HA ARG 64 -2.318 -5.484 -9.487 493 1HB ARG 64 HB2 ARG 64 -2.250 -6.995 -12.080 494 2HB ARG 64 HB1 ARG 64 -3.664 -6.004 -11.714 495 1HG ARG 64 HG2 ARG 64 -2.224 -4.516 -12.847 496 2HG ARG 64 HG1 ARG 64 -1.955 -4.142 -11.144 497 1HD ARG 64 HD2 ARG 64 0.204 -4.346 -12.298 498 2HD ARG 64 HD1 ARG 64 0.015 -5.703 -11.172 499 HE ARG 64 HE ARG 64 -1.152 -6.573 -13.560 500 1HH1 ARG 64 HH11 ARG 64 1.926 -5.413 -12.506 501 2HH1 ARG 64 HH12 ARG 64 2.812 -6.316 -13.687 502 1HH2 ARG 64 HH21 ARG 64 -0.010 -7.731 -15.120 503 2HH2 ARG 64 HH22 ARG 64 1.718 -7.622 -15.169 504 H ALA 65 HN ALA 65 -2.796 -8.913 -10.186 505 HA ALA 65 HA ALA 65 -5.585 -9.057 -9.506 506 1HB ALA 65 HB1 ALA 65 -4.179 -10.743 -10.755 507 2HB ALA 65 HB2 ALA 65 -5.135 -11.453 -9.453 508 3HB ALA 65 HB3 ALA 65 -3.410 -11.160 -9.223 509 H VAL 66 HN VAL 66 -2.612 -9.423 -7.597 510 HA VAL 66 HA VAL 66 -3.881 -10.187 -5.130 511 HB VAL 66 HB VAL 66 -1.261 -8.867 -5.894 512 1HG1 VAL 66 HG11 VAL 66 -2.018 -10.043 -3.203 513 2HG1 VAL 66 HG12 VAL 66 -1.906 -8.315 -3.539 514 3HG1 VAL 66 HG13 VAL 66 -0.467 -9.326 -3.641 515 1HG2 VAL 66 HG21 VAL 66 -0.777 -11.389 -4.864 516 2HG2 VAL 66 HG22 VAL 66 -0.894 -11.001 -6.581 517 3HG2 VAL 66 HG23 VAL 66 -2.305 -11.609 -5.717 518 H VAL 67 HN VAL 67 -2.765 -7.026 -6.398 519 HA VAL 67 HA VAL 67 -3.515 -5.444 -4.158 520 HB VAL 67 HB VAL 67 -3.721 -4.642 -7.070 521 1HG1 VAL 67 HG11 VAL 67 -2.405 -2.732 -5.437 522 2HG1 VAL 67 HG12 VAL 67 -3.816 -3.284 -4.532 523 3HG1 VAL 67 HG13 VAL 67 -4.013 -2.609 -6.149 524 1HG2 VAL 67 HG21 VAL 67 -1.603 -5.557 -7.164 525 2HG2 VAL 67 HG22 VAL 67 -1.349 -5.408 -5.425 526 3HG2 VAL 67 HG23 VAL 67 -1.191 -3.993 -6.467 527 H GLN 68 HN GLN 68 -5.391 -6.473 -7.030 528 HA GLN 68 HA GLN 68 -7.741 -4.965 -6.460 529 1HB GLN 68 HB2 GLN 68 -8.532 -6.112 -8.289 530 2HB GLN 68 HB1 GLN 68 -6.854 -6.622 -8.434 531 1HG GLN 68 HG2 GLN 68 -7.512 -8.585 -6.891 532 2HG GLN 68 HG1 GLN 68 -9.176 -8.146 -7.261 533 1HE2 GLN 68 HE21 GLN 68 -9.009 -10.465 -8.280 534 2HE2 GLN 68 HE22 GLN 68 -8.514 -10.532 -9.904 535 H GLN 69 HN GLN 69 -6.600 -8.110 -5.290 536 HA GLN 69 HA GLN 69 -8.950 -8.974 -3.942 537 1HB GLN 69 HB2 GLN 69 -6.856 -10.279 -4.360 538 2HB GLN 69 HB1 GLN 69 -6.031 -9.287 -3.156 539 1HG GLN 69 HG2 GLN 69 -6.848 -10.550 -1.489 540 2HG GLN 69 HG1 GLN 69 -8.498 -10.283 -2.053 541 1HE2 GLN 69 HE21 GLN 69 -9.543 -12.197 -2.602 542 2HE2 GLN 69 HE22 GLN 69 -8.781 -13.591 -3.200 543 H LEU 70 HN LEU 70 -6.305 -6.799 -2.922 544 HA LEU 70 HA LEU 70 -7.114 -6.387 -0.213 545 1HB LEU 70 HB2 LEU 70 -5.584 -4.913 -2.321 546 2HB LEU 70 HB1 LEU 70 -6.072 -4.002 -0.893 547 HG LEU 70 HG LEU 70 -4.991 -6.599 -0.160 548 1HD1 LEU 70 HD11 LEU 70 -3.508 -4.911 -2.124 549 2HD1 LEU 70 HD12 LEU 70 -3.443 -6.655 -1.868 550 3HD1 LEU 70 HD13 LEU 70 -2.586 -5.569 -0.773 551 1HD2 LEU 70 HD21 LEU 70 -4.562 -5.293 1.631 552 2HD2 LEU 70 HD22 LEU 70 -5.056 -3.867 0.720 553 3HD2 LEU 70 HD23 LEU 70 -3.377 -4.401 0.678 554 H CYS 71 HN CYS 71 -7.875 -4.474 -3.135 555 HA CYS 71 HA CYS 71 -9.730 -2.676 -1.936 556 1HB CYS 71 HB2 CYS 71 -9.504 -3.819 -4.737 557 2HB CYS 71 HB1 CYS 71 -10.463 -2.403 -4.319 558 HG CYS 71 HG CYS 71 -7.499 -2.380 -4.796 559 H PHE 72 HN PHE 72 -10.227 -5.794 -3.589 560 HA PHE 72 HA PHE 72 -13.020 -5.940 -3.604 561 1HB PHE 72 HB2 PHE 72 -11.355 -7.540 -4.573 562 2HB PHE 72 HB1 PHE 72 -11.050 -8.154 -2.946 563 HD1 PHE 72 HD1 PHE 72 -12.258 -10.025 -2.271 564 HD2 PHE 72 HD2 PHE 72 -13.961 -7.348 -5.163 565 HE1 PHE 72 HE1 PHE 72 -14.251 -11.494 -2.461 566 HE2 PHE 72 HE2 PHE 72 -15.952 -8.815 -5.357 567 HZ PHE 72 HZ PHE 72 -16.095 -10.889 -4.005 568 H GLU 73 HN GLU 73 -10.791 -6.644 -0.918 569 HA GLU 73 HA GLU 73 -12.971 -7.413 0.895 570 1HB GLU 73 HB2 GLU 73 -10.028 -6.793 1.340 571 2HB GLU 73 HB1 GLU 73 -11.091 -7.599 2.493 572 1HG GLU 73 HG2 GLU 73 -10.667 -8.656 -0.304 573 2HG GLU 73 HG1 GLU 73 -9.627 -9.121 1.044 574 H GLY 74 HN GLY 74 -11.684 -4.485 -0.238 575 1HA GLY 74 HA2 GLY 74 -12.562 -2.332 0.385 576 2HA GLY 74 HA1 GLY 74 -13.044 -3.009 1.942 577 H VAL 75 HN VAL 75 -9.866 -3.825 0.836 578 HA VAL 75 HA VAL 75 -8.726 -2.236 3.061 579 HB VAL 75 HB VAL 75 -7.365 -4.129 1.128 580 1HG1 VAL 75 HG11 VAL 75 -5.696 -3.085 2.382 581 2HG1 VAL 75 HG12 VAL 75 -6.055 -4.490 3.383 582 3HG1 VAL 75 HG13 VAL 75 -6.728 -2.916 3.801 583 1HG2 VAL 75 HG21 VAL 75 -8.370 -4.999 3.820 584 2HG2 VAL 75 HG22 VAL 75 -8.051 -5.965 2.380 585 3HG2 VAL 75 HG23 VAL 75 -9.499 -4.967 2.464 586 H VAL 76 HN VAL 76 -8.957 -0.086 2.019 587 HA VAL 76 HA VAL 76 -7.145 0.317 -0.329 588 HB VAL 76 HB VAL 76 -9.185 2.224 0.847 589 1HG1 VAL 76 HG11 VAL 76 -8.354 3.559 -0.768 590 2HG1 VAL 76 HG12 VAL 76 -8.979 2.419 -1.958 591 3HG1 VAL 76 HG13 VAL 76 -7.323 2.266 -1.375 592 1HG2 VAL 76 HG21 VAL 76 -10.788 0.783 0.171 593 2HG2 VAL 76 HG22 VAL 76 -9.591 -0.297 -0.542 594 3HG2 VAL 76 HG23 VAL 76 -10.232 1.050 -1.482 595 H VAL 77 HN VAL 77 -5.143 0.920 0.305 596 HA VAL 77 HA VAL 77 -4.857 2.878 2.569 597 HB VAL 77 HB VAL 77 -2.719 1.574 3.013 598 1HG1 VAL 77 HG11 VAL 77 -3.899 0.383 4.520 599 2HG1 VAL 77 HG12 VAL 77 -4.650 -0.584 3.251 600 3HG1 VAL 77 HG13 VAL 77 -5.363 0.958 3.722 601 1HG2 VAL 77 HG21 VAL 77 -2.428 -0.574 1.937 602 2HG2 VAL 77 HG22 VAL 77 -2.643 0.633 0.668 603 3HG2 VAL 77 HG23 VAL 77 -3.982 -0.425 1.114 604 HA PRO 78 HA PRO 78 -2.302 5.172 -0.216 605 1HB PRO 78 HB2 PRO 78 -0.101 5.795 1.310 606 2HB PRO 78 HB1 PRO 78 -1.667 6.613 1.490 607 1HG PRO 78 HG2 PRO 78 -0.490 4.398 3.093 608 2HG PRO 78 HG1 PRO 78 -1.384 5.826 3.640 609 1HD PRO 78 HD2 PRO 78 -2.547 3.403 3.473 610 2HD PRO 78 HD1 PRO 78 -3.446 4.901 3.128 611 H ALA 79 HN ALA 79 -1.802 3.440 -1.630 612 HA ALA 79 HA ALA 79 0.480 1.679 -0.930 613 1HB ALA 79 HB1 ALA 79 -1.762 1.724 -2.940 614 2HB ALA 79 HB2 ALA 79 -1.447 0.544 -1.666 615 3HB ALA 79 HB3 ALA 79 -0.423 0.587 -3.103 616 H ILE 80 HN ILE 80 2.463 2.255 -1.652 617 HA ILE 80 HA ILE 80 2.715 4.132 -3.946 618 HB ILE 80 HB ILE 80 4.849 2.982 -2.113 619 1HG1 ILE 80 HG12 ILE 80 3.494 5.658 -1.753 620 2HG1 ILE 80 HG11 ILE 80 2.853 4.209 -0.982 621 1HG2 ILE 80 HG21 ILE 80 4.846 5.679 -3.456 622 2HG2 ILE 80 HG22 ILE 80 5.342 4.244 -4.353 623 3HG2 ILE 80 HG23 ILE 80 6.218 4.723 -2.899 624 1HD1 ILE 80 HD11 ILE 80 4.595 5.703 0.309 625 2HD1 ILE 80 HD12 ILE 80 5.774 4.856 -0.695 626 3HD1 ILE 80 HD13 ILE 80 4.722 3.947 0.393 627 H VAL 81 HN VAL 81 2.975 3.209 -5.936 628 HA VAL 81 HA VAL 81 3.805 0.371 -6.130 629 HB VAL 81 HB VAL 81 2.753 2.392 -8.137 630 1HG1 VAL 81 HG11 VAL 81 3.846 -0.277 -8.439 631 2HG1 VAL 81 HG12 VAL 81 3.319 0.856 -9.683 632 3HG1 VAL 81 HG13 VAL 81 2.155 -0.235 -8.932 633 1HG2 VAL 81 HG21 VAL 81 0.843 0.414 -7.663 634 2HG2 VAL 81 HG22 VAL 81 0.811 2.054 -7.019 635 3HG2 VAL 81 HG23 VAL 81 1.506 0.746 -6.062 636 H VAL 82 HN VAL 82 5.696 -0.300 -7.154 637 HA VAL 82 HA VAL 82 7.667 1.844 -7.829 638 HB VAL 82 HB VAL 82 8.110 -1.113 -7.346 639 1HG1 VAL 82 HG11 VAL 82 9.788 0.962 -8.222 640 2HG1 VAL 82 HG12 VAL 82 10.294 -0.622 -7.630 641 3HG1 VAL 82 HG13 VAL 82 10.179 0.744 -6.517 642 1HG2 VAL 82 HG21 VAL 82 8.925 0.206 -5.070 643 2HG2 VAL 82 HG22 VAL 82 7.404 -0.673 -5.236 644 3HG2 VAL 82 HG23 VAL 82 7.447 1.072 -5.492 645 H GLY 83 HN GLY 83 8.585 1.921 -9.869 646 1HA GLY 83 HA2 GLY 83 9.165 1.128 -12.042 647 2HA GLY 83 HA1 GLY 83 8.187 -0.311 -11.753 648 H ASP 84 HN ASP 84 7.716 0.667 -14.144 649 HA ASP 84 HA ASP 84 5.985 1.478 -15.535 650 1HB ASP 84 HB2 ASP 84 4.819 0.291 -13.439 651 2HB ASP 84 HB1 ASP 84 4.286 1.941 -13.115 652 H ARG 85 HN ARG 85 5.738 3.523 -16.380 653 HA ARG 85 HA ARG 85 6.461 5.842 -14.667 654 1HB ARG 85 HB2 ARG 85 6.044 5.537 -17.659 655 2HB ARG 85 HB1 ARG 85 6.752 6.940 -16.854 656 1HG ARG 85 HG2 ARG 85 7.871 4.120 -16.843 657 2HG ARG 85 HG1 ARG 85 8.535 5.502 -17.718 658 1HD ARG 85 HD2 ARG 85 8.799 6.685 -15.502 659 2HD ARG 85 HD1 ARG 85 8.346 5.165 -14.708 660 HE ARG 85 HE ARG 85 10.393 4.681 -16.669 661 1HH1 ARG 85 HH11 ARG 85 9.781 5.964 -13.522 662 2HH1 ARG 85 HH12 ARG 85 11.404 5.720 -12.967 663 1HH2 ARG 85 HH21 ARG 85 12.507 4.359 -15.959 664 2HH2 ARG 85 HH22 ARG 85 12.946 4.810 -14.345 665 H ASP 86 HN ASP 86 5.167 7.883 -15.046 666 HA ASP 86 HA ASP 86 2.462 7.654 -14.352 667 1HB ASP 86 HB2 ASP 86 4.097 9.652 -14.383 668 2HB ASP 86 HB1 ASP 86 3.593 9.874 -16.059 669 H SER 87 HN SER 87 3.944 7.538 -17.543 670 HA SER 87 HA SER 87 1.606 7.988 -19.131 671 1HB SER 87 HB2 SER 87 2.971 6.995 -20.890 672 2HB SER 87 HB1 SER 87 4.005 7.985 -19.863 673 HG SER 87 HG SER 87 3.619 5.182 -19.584 674 H GLU 88 HN GLU 88 0.311 6.351 -20.264 675 HA GLU 88 HA GLU 88 0.169 3.730 -18.817 676 1HB GLU 88 HB2 GLU 88 -2.366 4.086 -19.500 677 2HB GLU 88 HB1 GLU 88 -1.722 4.873 -18.063 678 1HG GLU 88 HG2 GLU 88 -1.479 6.956 -19.199 679 2HG GLU 88 HG1 GLU 88 -1.718 6.208 -20.778 680 H ASP 89 HN ASP 89 1.707 3.533 -20.970 681 HA ASP 89 HA ASP 89 0.411 3.334 -23.528 682 1HB ASP 89 HB2 ASP 89 2.960 3.244 -22.528 683 2HB ASP 89 HB1 ASP 89 2.694 1.551 -22.941 684 HA PRO 90 HA PRO 90 -1.832 -0.425 -22.710 685 1HB PRO 90 HB2 PRO 90 -2.729 -0.803 -25.267 686 2HB PRO 90 HB1 PRO 90 -3.439 0.390 -24.160 687 1HG PRO 90 HG2 PRO 90 -1.484 0.790 -26.372 688 2HG PRO 90 HG1 PRO 90 -2.860 1.791 -25.888 689 1HD PRO 90 HD2 PRO 90 -0.289 2.395 -25.251 690 2HD PRO 90 HD1 PRO 90 -1.679 2.859 -24.242 691 H ASP 91 HN ASP 91 0.843 -0.001 -24.852 692 HA ASP 91 HA ASP 91 1.071 -2.594 -26.016 693 1HB ASP 91 HB2 ASP 91 3.148 -0.570 -25.115 694 2HB ASP 91 HB1 ASP 91 3.480 -1.930 -26.189 695 H GLU 92 HN GLU 92 1.959 -1.365 -22.825 696 HA GLU 92 HA GLU 92 2.810 -4.138 -22.045 697 1HB GLU 92 HB2 GLU 92 3.660 -1.442 -20.937 698 2HB GLU 92 HB1 GLU 92 4.330 -3.011 -20.482 699 1HG GLU 92 HG2 GLU 92 4.686 -3.161 -23.145 700 2HG GLU 92 HG1 GLU 92 4.769 -1.407 -22.956 701 HA PRO 93 HA PRO 93 -0.318 -4.057 -18.965 702 1HB PRO 93 HB2 PRO 93 0.910 -5.299 -16.857 703 2HB PRO 93 HB1 PRO 93 0.398 -6.163 -18.323 704 1HG PRO 93 HG2 PRO 93 3.101 -5.207 -17.531 705 2HG PRO 93 HG1 PRO 93 2.629 -6.703 -18.353 706 1HD PRO 93 HD2 PRO 93 3.689 -4.543 -19.638 707 2HD PRO 93 HD1 PRO 93 2.604 -5.715 -20.417 708 H ALA 94 HN ALA 94 0.686 -1.544 -19.071 709 HA ALA 94 HA ALA 94 1.349 -0.809 -16.238 710 1HB ALA 94 HB1 ALA 94 1.910 1.353 -17.902 711 2HB ALA 94 HB2 ALA 94 2.331 -0.049 -18.887 712 3HB ALA 94 HB3 ALA 94 3.084 0.183 -17.307 713 H LYS 95 HN LYS 95 -1.089 -0.906 -15.869 714 HA LYS 95 HA LYS 95 -2.480 1.510 -16.983 715 1HB LYS 95 HB2 LYS 95 -3.570 -1.086 -15.841 716 2HB LYS 95 HB1 LYS 95 -4.539 0.216 -16.533 717 1HG LYS 95 HG2 LYS 95 -3.194 -0.073 -18.673 718 2HG LYS 95 HG1 LYS 95 -2.536 -1.548 -17.962 719 1HD LYS 95 HD2 LYS 95 -5.500 -1.003 -18.279 720 2HD LYS 95 HD1 LYS 95 -4.543 -1.944 -19.426 721 1HE LYS 95 HE2 LYS 95 -3.964 -3.557 -17.661 722 2HE LYS 95 HE1 LYS 95 -4.872 -2.599 -16.475 723 1HZ LYS 95 HZ1 LYS 95 -6.261 -3.230 -18.950 724 2HZ LYS 95 HZ2 LYS 95 -6.847 -3.196 -17.356 725 3HZ LYS 95 HZ3 LYS 95 -5.980 -4.546 -17.918 726 H GLU 96 HN GLU 96 -4.174 2.389 -15.351 727 HA GLU 96 HA GLU 96 -2.809 2.988 -12.836 728 1HB GLU 96 HB2 GLU 96 -5.518 3.698 -14.002 729 2HB GLU 96 HB1 GLU 96 -4.871 4.395 -12.518 730 1HG GLU 96 HG2 GLU 96 -2.773 4.878 -14.102 731 2HG GLU 96 HG1 GLU 96 -4.025 4.838 -15.347 732 H GLN 97 HN GLN 97 -4.623 0.330 -13.723 733 HA GLN 97 HA GLN 97 -6.354 0.118 -11.383 734 1HB GLN 97 HB2 GLN 97 -6.873 -2.052 -12.319 735 2HB GLN 97 HB1 GLN 97 -6.716 -0.917 -13.660 736 1HG GLN 97 HG2 GLN 97 -4.592 -1.746 -14.267 737 2HG GLN 97 HG1 GLN 97 -4.351 -2.531 -12.710 738 1HE2 GLN 97 HE21 GLN 97 -3.946 -4.547 -14.051 739 2HE2 GLN 97 HE22 GLN 97 -5.283 -5.443 -14.587 740 H LEU 98 HN LEU 98 -3.064 -0.029 -11.550 741 HA LEU 98 HA LEU 98 -2.213 -2.382 -10.297 742 1HB LEU 98 HB2 LEU 98 -1.392 0.508 -9.849 743 2HB LEU 98 HB1 LEU 98 -0.423 -0.893 -9.386 744 HG LEU 98 HG LEU 98 -1.324 -0.235 -12.207 745 1HD1 LEU 98 HD11 LEU 98 0.681 0.962 -10.776 746 2HD1 LEU 98 HD12 LEU 98 0.675 0.786 -12.533 747 3HD1 LEU 98 HD13 LEU 98 1.539 -0.381 -11.529 748 1HD2 LEU 98 HD21 LEU 98 0.368 -2.077 -12.728 749 2HD2 LEU 98 HD22 LEU 98 -1.140 -2.616 -11.987 750 3HD2 LEU 98 HD23 LEU 98 0.321 -2.476 -11.009 751 H TYR 99 HN TYR 99 -3.981 0.347 -9.091 752 HA TYR 99 HA TYR 99 -4.911 -1.113 -6.787 753 1HB TYR 99 HB2 TYR 99 -2.432 -0.262 -6.401 754 2HB TYR 99 HB1 TYR 99 -3.236 1.271 -6.071 755 HD1 TYR 99 HD1 TYR 99 -1.674 -0.724 -4.138 756 HD2 TYR 99 HD2 TYR 99 -5.821 0.045 -4.958 757 HE1 TYR 99 HE1 TYR 99 -2.270 -1.496 -1.858 758 HE2 TYR 99 HE2 TYR 99 -6.416 -0.728 -2.672 759 HH TYR 99 HH TYR 99 -5.663 -1.680 -0.806 760 H HIS 100 HN HIS 100 -4.923 1.860 -5.506 761 HA HIS 100 HA HIS 100 -7.454 2.562 -6.917 762 1HB HIS 100 HB2 HIS 100 -7.789 4.015 -4.887 763 2HB HIS 100 HB1 HIS 100 -7.623 2.303 -4.523 764 HD2 HIS 100 HD2 HIS 100 -5.282 1.618 -3.049 765 HE1 HIS 100 HE1 HIS 100 -3.916 5.577 -2.514 766 HE2 HIS 100 HE2 HIS 100 -3.623 3.173 -1.831 767 H SER 101 HN SER 101 -7.847 4.950 -7.283 768 HA SER 101 HA SER 101 -5.845 6.102 -8.937 769 1HB SER 101 HB2 SER 101 -7.405 7.869 -9.143 770 2HB SER 101 HB1 SER 101 -8.402 6.472 -8.743 771 HG SER 101 HG SER 101 -9.042 7.685 -7.149 772 H ALA 102 HN ALA 102 -5.985 6.054 -5.503 773 HA ALA 102 HA ALA 102 -4.467 8.591 -5.235 774 1HB ALA 102 HB1 ALA 102 -4.664 7.223 -2.772 775 2HB ALA 102 HB2 ALA 102 -6.181 6.918 -3.614 776 3HB ALA 102 HB3 ALA 102 -5.656 8.572 -3.321 777 H GLU 103 HN GLU 103 -3.933 5.111 -5.256 778 HA GLU 103 HA GLU 103 -1.595 4.710 -3.856 779 1HB GLU 103 HB2 GLU 103 -1.173 2.950 -5.464 780 2HB GLU 103 HB1 GLU 103 -2.923 3.119 -5.324 781 1HG GLU 103 HG2 GLU 103 -2.804 4.690 -7.329 782 2HG GLU 103 HG1 GLU 103 -1.135 4.161 -7.533 783 H LEU 104 HN LEU 104 0.489 5.506 -3.972 784 HA LEU 104 HA LEU 104 1.091 7.516 -6.066 785 1HB LEU 104 HB2 LEU 104 1.917 6.837 -3.322 786 2HB LEU 104 HB1 LEU 104 3.248 7.362 -4.354 787 HG LEU 104 HG LEU 104 1.766 9.322 -5.041 788 1HD1 LEU 104 HD11 LEU 104 0.026 9.889 -3.273 789 2HD1 LEU 104 HD12 LEU 104 0.175 8.221 -2.716 790 3HD1 LEU 104 HD13 LEU 104 -0.392 8.558 -4.351 791 1HD2 LEU 104 HD21 LEU 104 2.032 10.172 -2.417 792 2HD2 LEU 104 HD22 LEU 104 3.305 10.222 -3.637 793 3HD2 LEU 104 HD23 LEU 104 3.206 8.859 -2.521 794 H HIS 105 HN HIS 105 3.082 7.376 -7.319 795 HA HIS 105 HA HIS 105 4.001 4.550 -7.708 796 1HB HIS 105 HB2 HIS 105 3.665 6.935 -9.524 797 2HB HIS 105 HB1 HIS 105 4.604 5.521 -10.011 798 HD1 HIS 105 HD1 HIS 105 2.300 5.776 -11.749 799 HD2 HIS 105 HD2 HIS 105 1.869 4.030 -7.991 800 HE1 HIS 105 HE1 HIS 105 0.180 4.392 -11.840 801 H LEU 106 HN LEU 106 6.187 4.136 -7.748 802 HA LEU 106 HA LEU 106 8.042 6.442 -7.277 803 1HB LEU 106 HB2 LEU 106 7.479 5.215 -5.199 804 2HB LEU 106 HB1 LEU 106 8.018 3.713 -5.952 805 HG LEU 106 HG LEU 106 10.276 4.697 -6.259 806 1HD1 LEU 106 HD11 LEU 106 9.735 7.044 -6.394 807 2HD1 LEU 106 HD12 LEU 106 10.744 6.826 -4.964 808 3HD1 LEU 106 HD13 LEU 106 8.998 7.021 -4.794 809 1HD2 LEU 106 HD21 LEU 106 9.195 4.813 -3.424 810 2HD2 LEU 106 HD22 LEU 106 10.904 4.708 -3.845 811 3HD2 LEU 106 HD23 LEU 106 9.815 3.376 -4.236 812 H GLY 107 HN GLY 107 9.950 6.330 -8.455 813 1HA GLY 107 HA2 GLY 107 10.117 4.524 -10.678 814 2HA GLY 107 HA1 GLY 107 11.413 5.592 -10.135 815 H ILE 108 HN ILE 108 11.729 2.844 -11.016 816 HA ILE 108 HA ILE 108 11.993 0.982 -8.885 817 HB ILE 108 HB ILE 108 13.373 1.384 -11.553 818 1HG1 ILE 108 HG12 ILE 108 10.937 1.114 -11.667 819 2HG1 ILE 108 HG11 ILE 108 11.738 -0.324 -12.294 820 1HG2 ILE 108 HG21 ILE 108 13.125 -1.296 -10.324 821 2HG2 ILE 108 HG22 ILE 108 14.334 -0.216 -9.623 822 3HG2 ILE 108 HG23 ILE 108 14.406 -0.631 -11.338 823 1HD1 ILE 108 HD11 ILE 108 10.155 0.017 -9.792 824 2HD1 ILE 108 HD12 ILE 108 11.544 -1.062 -9.720 825 3HD1 ILE 108 HD13 ILE 108 10.254 -1.369 -10.878 826 H HIS 109 HN HIS 109 14.400 3.180 -10.388 827 HA HIS 109 HA HIS 109 16.438 2.445 -8.388 828 1HB HIS 109 HB2 HIS 109 16.318 3.437 -11.028 829 2HB HIS 109 HB1 HIS 109 17.037 4.726 -10.064 830 HD1 HIS 109 HD1 HIS 109 18.717 3.052 -12.105 831 HD2 HIS 109 HD2 HIS 109 18.465 2.234 -8.024 832 HE1 HIS 109 HE1 HIS 109 20.804 1.741 -11.507 833 H GLN 110 HN GLN 110 13.785 4.362 -8.228 834 HA GLN 110 HA GLN 110 15.078 6.648 -6.822 835 1HB GLN 110 HB2 GLN 110 12.240 6.007 -7.682 836 2HB GLN 110 HB1 GLN 110 12.720 7.513 -6.898 837 1HG GLN 110 HG2 GLN 110 14.364 7.886 -8.753 838 2HG GLN 110 HG1 GLN 110 13.714 6.460 -9.561 839 1HE2 GLN 110 HE21 GLN 110 11.126 7.878 -7.946 840 2HE2 GLN 110 HE22 GLN 110 10.526 8.835 -9.210 841 H LEU 111 HN LEU 111 14.722 3.727 -5.811 842 HA LEU 111 HA LEU 111 12.792 3.750 -3.705 843 1HB LEU 111 HB2 LEU 111 15.381 2.282 -4.242 844 2HB LEU 111 HB1 LEU 111 14.422 1.943 -2.809 845 HG LEU 111 HG LEU 111 14.064 0.922 -5.456 846 1HD1 LEU 111 HD11 LEU 111 13.640 -0.615 -3.828 847 2HD1 LEU 111 HD12 LEU 111 11.983 -0.058 -4.060 848 3HD1 LEU 111 HD13 LEU 111 12.949 0.581 -2.731 849 1HD2 LEU 111 HD21 LEU 111 11.561 2.320 -4.466 850 2HD2 LEU 111 HD22 LEU 111 11.800 1.475 -5.995 851 3HD2 LEU 111 HD23 LEU 111 12.600 3.013 -5.711 852 H GLU 112 HN GLU 112 12.799 5.470 -2.431 853 HA GLU 112 HA GLU 112 14.505 5.757 -0.199 854 1HB GLU 112 HB2 GLU 112 15.752 7.838 -1.031 855 2HB GLU 112 HB1 GLU 112 16.283 6.309 -1.733 856 1HG GLU 112 HG2 GLU 112 15.089 6.695 -3.744 857 2HG GLU 112 HG1 GLU 112 14.148 8.000 -3.022 858 H GLN 113 HN GLN 113 12.398 7.204 -2.598 859 HA GLN 113 HA GLN 113 11.598 9.478 -0.914 860 1HB GLN 113 HB2 GLN 113 10.744 8.240 -3.534 861 2HB GLN 113 HB1 GLN 113 9.832 9.568 -2.817 862 1HG GLN 113 HG2 GLN 113 11.762 11.016 -2.857 863 2HG GLN 113 HG1 GLN 113 12.815 9.682 -3.333 864 1HE2 GLN 113 HE21 GLN 113 13.374 10.975 -5.302 865 2HE2 GLN 113 HE22 GLN 113 12.296 11.009 -6.613 866 H LEU 114 HN LEU 114 10.897 6.170 -0.972 867 HA LEU 114 HA LEU 114 8.196 5.799 -0.576 868 1HB LEU 114 HB2 LEU 114 10.618 4.710 0.853 869 2HB LEU 114 HB1 LEU 114 9.006 4.073 1.147 870 HG LEU 114 HG LEU 114 9.291 4.221 -1.661 871 1HD1 LEU 114 HD11 LEU 114 11.280 2.682 -1.936 872 2HD1 LEU 114 HD12 LEU 114 11.708 3.037 -0.264 873 3HD1 LEU 114 HD13 LEU 114 11.701 4.329 -1.464 874 1HD2 LEU 114 HD21 LEU 114 8.905 1.856 -1.528 875 2HD2 LEU 114 HD22 LEU 114 8.043 2.574 -0.168 876 3HD2 LEU 114 HD23 LEU 114 9.592 1.771 0.092 877 HA PRO 115 HA PRO 115 8.543 7.136 4.040 878 1HB PRO 115 HB2 PRO 115 10.525 8.944 4.630 879 2HB PRO 115 HB1 PRO 115 10.710 7.189 4.833 880 1HG PRO 115 HG2 PRO 115 11.600 8.928 2.568 881 2HG PRO 115 HG1 PRO 115 12.477 7.630 3.402 882 1HD PRO 115 HD2 PRO 115 11.316 7.202 1.040 883 2HD PRO 115 HD1 PRO 115 11.314 5.950 2.295 884 H TYR 116 HN TYR 116 9.980 9.721 2.000 885 HA TYR 116 HA TYR 116 8.131 11.736 2.862 886 1HB TYR 116 HB2 TYR 116 9.666 12.914 1.705 887 2HB TYR 116 HB1 TYR 116 10.385 11.406 1.157 888 HD1 TYR 116 HD1 TYR 116 7.637 13.827 0.370 889 HD2 TYR 116 HD2 TYR 116 10.306 10.803 -1.098 890 HE1 TYR 116 HE1 TYR 116 6.933 14.330 -1.957 891 HE2 TYR 116 HE2 TYR 116 9.603 11.304 -3.423 892 HH TYR 116 HH TYR 116 8.140 12.415 -4.696 893 H GLN 117 HN GLN 117 8.009 9.189 0.455 894 HA GLN 117 HA GLN 117 5.623 10.133 -0.930 895 1HB GLN 117 HB2 GLN 117 7.046 7.461 -0.671 896 2HB GLN 117 HB1 GLN 117 5.679 7.728 -1.751 897 1HG GLN 117 HG2 GLN 117 7.802 9.746 -2.007 898 2HG GLN 117 HG1 GLN 117 8.311 8.112 -2.437 899 1HE2 GLN 117 HE21 GLN 117 6.821 10.865 -3.699 900 2HE2 GLN 117 HE22 GLN 117 6.033 10.144 -5.019 901 H VAL 118 HN VAL 118 6.355 7.852 1.675 902 HA VAL 118 HA VAL 118 3.720 6.826 2.076 903 HB VAL 118 HB VAL 118 6.274 7.083 3.639 904 1HG1 VAL 118 HG11 VAL 118 3.601 6.177 4.725 905 2HG1 VAL 118 HG12 VAL 118 4.701 7.368 5.417 906 3HG1 VAL 118 HG13 VAL 118 5.132 5.659 5.424 907 1HG2 VAL 118 HG21 VAL 118 6.163 5.301 2.022 908 2HG2 VAL 118 HG22 VAL 118 4.563 4.820 2.573 909 3HG2 VAL 118 HG23 VAL 118 5.967 4.557 3.605 910 H ASP 119 HN ASP 119 5.407 9.650 3.501 911 HA ASP 119 HA ASP 119 3.244 10.402 5.266 912 1HB ASP 119 HB2 ASP 119 5.404 12.059 3.903 913 2HB ASP 119 HB1 ASP 119 4.457 12.567 5.301 914 H ALA 120 HN ALA 120 4.177 11.330 1.960 915 HA ALA 120 HA ALA 120 2.006 13.183 1.513 916 1HB ALA 120 HB1 ALA 120 3.770 13.426 0.017 917 2HB ALA 120 HB2 ALA 120 2.715 12.402 -0.954 918 3HB ALA 120 HB3 ALA 120 4.065 11.691 -0.072 919 H ALA 121 HN ALA 121 2.550 9.776 0.608 920 HA ALA 121 HA ALA 121 0.119 9.287 -0.752 921 1HB ALA 121 HB1 ALA 121 2.241 7.887 -0.539 922 2HB ALA 121 HB2 ALA 121 0.737 6.973 -0.406 923 3HB ALA 121 HB3 ALA 121 1.652 7.383 1.045 924 H LEU 122 HN LEU 122 0.844 9.396 2.705 925 HA LEU 122 HA LEU 122 -1.609 8.163 3.612 926 1HB LEU 122 HB2 LEU 122 0.417 10.075 4.813 927 2HB LEU 122 HB1 LEU 122 -0.924 9.412 5.742 928 HG LEU 122 HG LEU 122 0.835 7.526 4.223 929 1HD1 LEU 122 HD11 LEU 122 2.660 7.876 5.517 930 2HD1 LEU 122 HD12 LEU 122 1.681 7.909 6.984 931 3HD1 LEU 122 HD13 LEU 122 1.899 9.380 6.038 932 1HD2 LEU 122 HD21 LEU 122 0.233 6.609 6.797 933 2HD2 LEU 122 HD22 LEU 122 -0.597 6.154 5.309 934 3HD2 LEU 122 HD23 LEU 122 -1.216 7.481 6.292 935 H ALA 123 HN ALA 123 -0.574 11.582 3.567 936 HA ALA 123 HA ALA 123 -3.181 12.632 4.164 937 1HB ALA 123 HB1 ALA 123 -0.972 13.767 4.466 938 2HB ALA 123 HB2 ALA 123 -2.118 14.748 3.553 939 3HB ALA 123 HB3 ALA 123 -0.830 13.886 2.712 940 H GLU 124 HN GLU 124 -1.466 11.871 1.148 941 HA GLU 124 HA GLU 124 -3.336 13.122 -0.646 942 1HB GLU 124 HB2 GLU 124 -0.936 12.166 -0.986 943 2HB GLU 124 HB1 GLU 124 -1.742 10.616 -1.210 944 1HG GLU 124 HG2 GLU 124 -1.979 13.114 -2.886 945 2HG GLU 124 HG1 GLU 124 -1.556 11.482 -3.402 946 H PHE 125 HN PHE 125 -3.141 9.871 0.823 947 HA PHE 125 HA PHE 125 -5.315 8.715 -0.657 948 1HB PHE 125 HB2 PHE 125 -3.564 7.505 0.635 949 2HB PHE 125 HB1 PHE 125 -4.278 8.108 2.132 950 HD1 PHE 125 HD1 PHE 125 -4.788 5.891 -0.788 951 HD2 PHE 125 HD2 PHE 125 -6.366 7.215 2.982 952 HE1 PHE 125 HE1 PHE 125 -6.412 4.019 -0.808 953 HE2 PHE 125 HE2 PHE 125 -7.989 5.342 2.959 954 HZ PHE 125 HZ PHE 125 -8.014 3.744 1.064 955 H LEU 126 HN LEU 126 -5.226 10.400 2.514 956 HA LEU 126 HA LEU 126 -7.994 10.029 3.152 957 1HB LEU 126 HB2 LEU 126 -6.026 12.233 3.842 958 2HB LEU 126 HB1 LEU 126 -7.547 11.942 4.685 959 HG LEU 126 HG LEU 126 -5.272 9.947 4.438 960 1HD1 LEU 126 HD11 LEU 126 -5.864 10.657 7.128 961 2HD1 LEU 126 HD12 LEU 126 -5.704 12.160 6.221 962 3HD1 LEU 126 HD13 LEU 126 -4.385 10.989 6.225 963 1HD2 LEU 126 HD21 LEU 126 -8.082 9.772 5.296 964 2HD2 LEU 126 HD22 LEU 126 -6.942 9.172 6.502 965 3HD2 LEU 126 HD23 LEU 126 -6.953 8.482 4.880 966 H ARG 127 HN ARG 127 -6.304 12.724 1.507 967 HA ARG 127 HA ARG 127 -8.538 14.431 1.113 968 1HB ARG 127 HB2 ARG 127 -6.113 14.926 0.729 969 2HB ARG 127 HB1 ARG 127 -6.164 13.912 -0.713 970 1HG ARG 127 HG2 ARG 127 -6.496 16.095 -1.551 971 2HG ARG 127 HG1 ARG 127 -8.125 15.433 -1.463 972 1HD ARG 127 HD2 ARG 127 -8.404 16.526 0.777 973 2HD ARG 127 HD1 ARG 127 -6.821 17.295 0.548 974 HE ARG 127 HE ARG 127 -8.363 17.733 -1.804 975 1HH1 ARG 127 HH11 ARG 127 -8.246 18.575 1.540 976 2HH1 ARG 127 HH12 ARG 127 -9.004 20.115 1.311 977 1HH2 ARG 127 HH21 ARG 127 -9.331 19.743 -2.119 978 2HH2 ARG 127 HH22 ARG 127 -9.615 20.778 -0.760 979 H LEU 128 HN LEU 128 -7.472 11.560 -0.653 980 HA LEU 128 HA LEU 128 -9.622 11.913 -2.676 981 1HB LEU 128 HB2 LEU 128 -7.207 11.365 -3.208 982 2HB LEU 128 HB1 LEU 128 -7.483 9.796 -2.455 983 HG LEU 128 HG LEU 128 -9.139 9.203 -4.080 984 1HD1 LEU 128 HD11 LEU 128 -9.104 12.144 -4.657 985 2HD1 LEU 128 HD12 LEU 128 -10.480 11.059 -4.467 986 3HD1 LEU 128 HD13 LEU 128 -9.535 11.028 -5.955 987 1HD2 LEU 128 HD21 LEU 128 -7.657 10.287 -6.210 988 2HD2 LEU 128 HD22 LEU 128 -7.416 8.717 -5.447 989 3HD2 LEU 128 HD23 LEU 128 -6.512 10.122 -4.883 990 H ALA 129 HN ALA 129 -9.208 10.444 0.325 991 HA ALA 129 HA ALA 129 -10.622 7.967 -0.128 992 1HB ALA 129 HB1 ALA 129 -10.675 7.930 2.333 993 2HB ALA 129 HB2 ALA 129 -10.223 9.634 2.369 994 3HB ALA 129 HB3 ALA 129 -9.088 8.435 1.757 995 HA PRO 130 HA PRO 130 -11.953 6.702 0.419 996 1HB PRO 130 HB2 PRO 130 -14.124 5.582 -0.806 997 2HB PRO 130 HB1 PRO 130 -14.053 5.889 0.939 998 1HG PRO 130 HG2 PRO 130 -15.477 7.376 -1.183 999 2HG PRO 130 HG1 PRO 130 -15.909 7.134 0.514 1000 1HD PRO 130 HD2 PRO 130 -14.793 9.443 -0.571 1001 2HD PRO 130 HD1 PRO 130 -14.843 9.024 1.155 1002 H VAL 131 HN VAL 131 -10.398 6.559 -1.220 1003 HA VAL 131 HA VAL 131 -10.664 7.694 -3.829 1004 HB VAL 131 HB VAL 131 -8.692 6.129 -4.284 1005 1HG1 VAL 131 HG11 VAL 131 -7.519 7.164 -2.018 1006 2HG1 VAL 131 HG12 VAL 131 -8.923 8.210 -2.212 1007 3HG1 VAL 131 HG13 VAL 131 -7.752 8.056 -3.519 1008 1HG2 VAL 131 HG21 VAL 131 -8.520 4.310 -2.974 1009 2HG2 VAL 131 HG22 VAL 131 -9.826 4.893 -1.940 1010 3HG2 VAL 131 HG23 VAL 131 -8.160 5.376 -1.615 1011 H GLU 132 HN GLU 132 -10.649 6.295 -5.881 1012 HA GLU 132 HA GLU 132 -12.854 4.316 -5.674 1013 1HB GLU 132 HB2 GLU 132 -11.504 5.725 -7.994 1014 2HB GLU 132 HB1 GLU 132 -12.925 4.691 -8.136 1015 1HG GLU 132 HG2 GLU 132 -14.164 6.177 -6.601 1016 2HG GLU 132 HG1 GLU 132 -12.746 7.220 -6.475 1017 H THR 133 HN THR 133 -12.111 2.260 -5.311 1018 HA THR 133 HA THR 133 -9.532 1.390 -6.490 1019 HB THR 133 HB THR 133 -10.433 -0.720 -5.088 1020 HG1 THR 133 HG1 THR 133 -12.395 -0.032 -4.505 1021 1HG2 THR 133 HG21 THR 133 -8.418 0.608 -4.575 1022 2HG2 THR 133 HG22 THR 133 -9.330 0.241 -3.110 1023 3HG2 THR 133 HG23 THR 133 -9.430 1.848 -3.831 1024 H MET 134 HN MET 134 -9.767 0.754 -8.625 1025 HA MET 134 HA MET 134 -12.268 -0.588 -9.487 1026 1HB MET 134 HB2 MET 134 -9.799 0.436 -10.922 1027 2HB MET 134 HB1 MET 134 -11.188 -0.279 -11.740 1028 1HG MET 134 HG2 MET 134 -12.627 1.467 -10.575 1029 2HG MET 134 HG1 MET 134 -11.128 2.253 -10.084 1030 1HE MET 134 HE1 MET 134 -9.515 3.722 -11.993 1031 2HE MET 134 HE2 MET 134 -9.316 2.729 -13.434 1032 3HE MET 134 HE3 MET 134 -9.202 1.990 -11.841 1033 H ALA 135 HN ALA 135 -10.992 -2.248 -7.753 1034 HA ALA 135 HA ALA 135 -9.012 -3.982 -8.953 1035 1HB ALA 135 HB1 ALA 135 -9.195 -3.807 -6.573 1036 2HB ALA 135 HB2 ALA 135 -9.746 -5.434 -6.977 1037 3HB ALA 135 HB3 ALA 135 -10.919 -4.168 -6.612 Start of MODEL 23 1 1H MET 1 HT1 MET 1 -1.098 8.759 16.539 2 2H MET 1 HT2 MET 1 -2.121 10.005 17.078 3 3H MET 1 HT3 MET 1 -0.434 10.198 17.142 4 HA MET 1 HA MET 1 -2.137 10.088 14.708 5 1HB MET 1 HB2 MET 1 -2.003 12.166 16.120 6 2HB MET 1 HB1 MET 1 -0.258 12.177 15.856 7 1HG MET 1 HG2 MET 1 -0.691 12.234 13.387 8 2HG MET 1 HG1 MET 1 -2.412 12.395 13.734 9 1HE MET 1 HE1 MET 1 1.160 14.689 14.074 10 2HE MET 1 HE2 MET 1 0.267 15.392 12.727 11 3HE MET 1 HE3 MET 1 0.500 13.648 12.804 12 H LEU 2 HN LEU 2 1.218 10.961 15.614 13 HA LEU 2 HA LEU 2 2.156 9.582 13.135 14 1HB LEU 2 HB2 LEU 2 3.481 11.593 14.977 15 2HB LEU 2 HB1 LEU 2 4.112 11.041 13.426 16 HG LEU 2 HG LEU 2 1.608 12.654 13.935 17 1HD1 LEU 2 HD11 LEU 2 4.205 13.080 12.453 18 2HD1 LEU 2 HD12 LEU 2 3.526 14.046 13.763 19 3HD1 LEU 2 HD13 LEU 2 2.785 14.086 12.162 20 1HD2 LEU 2 HD21 LEU 2 1.264 12.464 11.452 21 2HD2 LEU 2 HD22 LEU 2 1.040 10.938 12.305 22 3HD2 LEU 2 HD23 LEU 2 2.532 11.238 11.414 23 H SER 3 HN SER 3 1.699 8.712 16.214 24 HA SER 3 HA SER 3 3.995 7.858 17.464 25 1HB SER 3 HB2 SER 3 1.295 7.245 17.517 26 2HB SER 3 HB1 SER 3 2.040 5.692 17.148 27 HG SER 3 HG SER 3 3.557 6.435 18.952 28 H GLN 4 HN GLN 4 2.354 5.588 15.251 29 HA GLN 4 HA GLN 4 4.963 4.996 13.957 30 1HB GLN 4 HB2 GLN 4 3.192 2.966 15.357 31 2HB GLN 4 HB1 GLN 4 4.638 2.579 14.421 32 1HG GLN 4 HG2 GLN 4 5.786 4.337 16.009 33 2HG GLN 4 HG1 GLN 4 4.422 3.974 17.067 34 1HE2 GLN 4 HE21 GLN 4 7.542 2.979 16.298 35 2HE2 GLN 4 HE22 GLN 4 7.473 1.399 16.911 36 H ILE 5 HN ILE 5 4.693 3.770 11.949 37 HA ILE 5 HA ILE 5 1.931 4.015 10.816 38 HB ILE 5 HB ILE 5 4.687 4.337 9.589 39 1HG1 ILE 5 HG12 ILE 5 2.408 6.317 9.878 40 2HG1 ILE 5 HG11 ILE 5 3.784 6.235 10.977 41 1HG2 ILE 5 HG21 ILE 5 2.184 4.970 8.095 42 2HG2 ILE 5 HG22 ILE 5 2.646 3.274 8.233 43 3HG2 ILE 5 HG23 ILE 5 3.746 4.428 7.486 44 1HD1 ILE 5 HD11 ILE 5 5.327 6.716 9.159 45 2HD1 ILE 5 HD12 ILE 5 4.066 7.949 9.168 46 3HD1 ILE 5 HD13 ILE 5 4.015 6.647 7.981 47 H ALA 6 HN ALA 6 1.049 2.084 10.021 48 HA ALA 6 HA ALA 6 2.761 -0.319 10.078 49 1HB ALA 6 HB1 ALA 6 0.295 -1.120 9.280 50 2HB ALA 6 HB2 ALA 6 -0.106 0.388 10.104 51 3HB ALA 6 HB3 ALA 6 0.742 -0.892 10.971 52 H ILE 7 HN ILE 7 4.011 -0.372 8.272 53 HA ILE 7 HA ILE 7 2.702 0.138 5.632 54 HB ILE 7 HB ILE 7 5.604 0.127 6.523 55 1HG1 ILE 7 HG12 ILE 7 3.532 2.281 6.080 56 2HG1 ILE 7 HG11 ILE 7 4.528 2.003 7.508 57 1HG2 ILE 7 HG21 ILE 7 4.766 1.454 4.010 58 2HG2 ILE 7 HG22 ILE 7 4.704 -0.308 3.985 59 3HG2 ILE 7 HG23 ILE 7 6.218 0.517 4.355 60 1HD1 ILE 7 HD11 ILE 7 5.487 3.874 6.379 61 2HD1 ILE 7 HD12 ILE 7 5.408 3.059 4.818 62 3HD1 ILE 7 HD13 ILE 7 6.547 2.505 6.045 63 H CYS 8 HN CYS 8 2.201 -1.670 4.530 64 HA CYS 8 HA CYS 8 3.688 -4.187 5.153 65 1HB CYS 8 HB2 CYS 8 0.959 -3.644 3.944 66 2HB CYS 8 HB1 CYS 8 1.591 -5.236 4.375 67 HG CYS 8 HG CYS 8 1.794 -4.129 6.901 68 H ILE 9 HN ILE 9 5.281 -4.460 3.634 69 HA ILE 9 HA ILE 9 4.740 -3.639 0.818 70 HB ILE 9 HB ILE 9 6.794 -2.876 1.966 71 1HG1 ILE 9 HG12 ILE 9 7.357 -4.979 -0.155 72 2HG1 ILE 9 HG11 ILE 9 6.851 -3.328 -0.499 73 1HG2 ILE 9 HG21 ILE 9 8.015 -4.273 3.247 74 2HG2 ILE 9 HG22 ILE 9 8.110 -5.470 1.955 75 3HG2 ILE 9 HG23 ILE 9 6.719 -5.450 3.037 76 1HD1 ILE 9 HD11 ILE 9 9.129 -3.046 -0.651 77 2HD1 ILE 9 HD12 ILE 9 9.472 -4.337 0.501 78 3HD1 ILE 9 HD13 ILE 9 8.931 -2.761 1.079 79 H TRP 10 HN TRP 10 4.888 -5.053 -0.871 80 HA TRP 10 HA TRP 10 5.110 -7.973 -0.187 81 1HB TRP 10 HB2 TRP 10 2.878 -7.558 -0.932 82 2HB TRP 10 HB1 TRP 10 3.428 -6.467 -2.210 83 HD1 TRP 10 HD1 TRP 10 5.346 -9.674 -1.674 84 HE1 TRP 10 HE1 TRP 10 4.958 -11.260 -3.671 85 HE3 TRP 10 HE3 TRP 10 1.599 -7.161 -4.061 86 HZ2 TRP 10 HZ2 TRP 10 3.274 -11.433 -5.974 87 HZ3 TRP 10 HZ3 TRP 10 0.628 -8.058 -6.151 88 HH2 TRP 10 HH2 TRP 10 1.457 -10.192 -7.110 89 H VAL 11 HN VAL 11 7.137 -8.625 -0.893 90 HA VAL 11 HA VAL 11 7.934 -8.036 -3.669 91 HB VAL 11 HB VAL 11 8.620 -6.019 -2.565 92 1HG1 VAL 11 HG11 VAL 11 8.452 -6.588 -0.266 93 2HG1 VAL 11 HG12 VAL 11 10.162 -6.248 -0.518 94 3HG1 VAL 11 HG13 VAL 11 9.600 -7.917 -0.429 95 1HG2 VAL 11 HG21 VAL 11 10.856 -8.010 -2.944 96 2HG2 VAL 11 HG22 VAL 11 11.180 -6.334 -2.509 97 3HG2 VAL 11 HG23 VAL 11 10.356 -6.709 -4.023 98 H GLU 12 HN GLU 12 9.146 -9.745 -4.430 99 HA GLU 12 HA GLU 12 9.884 -11.881 -2.517 100 1HB GLU 12 HB2 GLU 12 9.687 -11.606 -5.519 101 2HB GLU 12 HB1 GLU 12 10.317 -13.067 -4.753 102 1HG GLU 12 HG2 GLU 12 8.190 -13.182 -3.412 103 2HG GLU 12 HG1 GLU 12 7.569 -11.848 -4.386 104 H SER 13 HN SER 13 11.434 -9.278 -4.154 105 HA SER 13 HA SER 13 14.095 -10.591 -4.187 106 1HB SER 13 HB2 SER 13 13.027 -8.951 -5.921 107 2HB SER 13 HB1 SER 13 13.477 -7.697 -4.770 108 HG SER 13 HG SER 13 15.056 -8.340 -6.478 109 H THR 14 HN THR 14 15.483 -10.397 -2.452 110 HA THR 14 HA THR 14 14.802 -9.090 -0.014 111 HB THR 14 HB THR 14 17.645 -9.475 -0.851 112 HG1 THR 14 HG1 THR 14 17.319 -11.747 -0.589 113 1HG2 THR 14 HG21 THR 14 17.874 -10.358 1.376 114 2HG2 THR 14 HG22 THR 14 16.125 -10.450 1.577 115 3HG2 THR 14 HG23 THR 14 16.922 -8.878 1.487 116 H ALA 15 HN ALA 15 16.965 -8.043 -2.672 117 HA ALA 15 HA ALA 15 17.874 -5.610 -1.553 118 1HB ALA 15 HB1 ALA 15 17.154 -6.218 -4.437 119 2HB ALA 15 HB2 ALA 15 18.638 -6.750 -3.650 120 3HB ALA 15 HB3 ALA 15 18.331 -5.027 -3.882 121 H ILE 16 HN ILE 16 14.985 -6.174 -3.615 122 HA ILE 16 HA ILE 16 14.036 -3.463 -3.514 123 HB ILE 16 HB ILE 16 12.747 -6.163 -3.991 124 1HG1 ILE 16 HG12 ILE 16 13.299 -3.910 -5.932 125 2HG1 ILE 16 HG11 ILE 16 14.510 -5.136 -5.561 126 1HG2 ILE 16 HG21 ILE 16 10.789 -4.971 -4.839 127 2HG2 ILE 16 HG22 ILE 16 11.537 -3.419 -4.459 128 3HG2 ILE 16 HG23 ILE 16 11.065 -4.511 -3.159 129 1HD1 ILE 16 HD11 ILE 16 12.194 -6.608 -6.051 130 2HD1 ILE 16 HD12 ILE 16 13.548 -6.397 -7.163 131 3HD1 ILE 16 HD13 ILE 16 12.151 -5.326 -7.262 132 H LEU 17 HN LEU 17 13.375 -6.327 -1.492 133 HA LEU 17 HA LEU 17 11.404 -5.094 0.198 134 1HB LEU 17 HB2 LEU 17 11.492 -7.419 0.318 135 2HB LEU 17 HB1 LEU 17 13.252 -7.456 0.241 136 HG LEU 17 HG LEU 17 12.127 -8.066 2.487 137 1HD1 LEU 17 HD11 LEU 17 13.964 -6.028 3.322 138 2HD1 LEU 17 HD12 LEU 17 14.544 -6.737 1.815 139 3HD1 LEU 17 HD13 LEU 17 14.229 -7.768 3.208 140 1HD2 LEU 17 HD21 LEU 17 10.943 -5.560 2.109 141 2HD2 LEU 17 HD22 LEU 17 12.178 -5.278 3.338 142 3HD2 LEU 17 HD23 LEU 17 10.940 -6.502 3.601 143 H GLN 18 HN GLN 18 14.954 -5.306 0.340 144 HA GLN 18 HA GLN 18 15.186 -3.935 2.890 145 1HB GLN 18 HB2 GLN 18 17.081 -4.522 0.597 146 2HB GLN 18 HB1 GLN 18 17.597 -3.777 2.110 147 1HG GLN 18 HG2 GLN 18 16.595 -5.760 3.322 148 2HG GLN 18 HG1 GLN 18 16.371 -6.519 1.746 149 1HE2 GLN 18 HE21 GLN 18 18.110 -7.685 3.682 150 2HE2 GLN 18 HE22 GLN 18 19.706 -7.559 3.119 151 H ASP 19 HN ASP 19 15.528 -2.909 -0.532 152 HA ASP 19 HA ASP 19 16.222 -0.182 0.009 153 1HB ASP 19 HB2 ASP 19 14.756 -1.509 -2.294 154 2HB ASP 19 HB1 ASP 19 15.419 0.124 -2.346 155 H CYS 20 HN CYS 20 13.070 -1.778 -0.464 156 HA CYS 20 HA CYS 20 11.478 0.612 -0.307 157 1HB CYS 20 HB2 CYS 20 10.965 -2.324 0.253 158 2HB CYS 20 HB1 CYS 20 9.685 -1.113 0.205 159 HG CYS 20 HG CYS 20 9.693 -1.586 -2.236 160 H GLN 21 HN GLN 21 12.532 -1.770 2.133 161 HA GLN 21 HA GLN 21 11.182 -0.395 4.332 162 1HB GLN 21 HB2 GLN 21 13.230 -2.612 4.091 163 2HB GLN 21 HB1 GLN 21 12.574 -2.083 5.638 164 1HG GLN 21 HG2 GLN 21 10.254 -2.464 4.572 165 2HG GLN 21 HG1 GLN 21 11.119 -3.370 3.331 166 1HE2 GLN 21 HE21 GLN 21 13.167 -4.128 5.542 167 2HE2 GLN 21 HE22 GLN 21 12.406 -5.399 6.367 168 H ARG 22 HN ARG 22 14.512 -0.609 3.069 169 HA ARG 22 HA ARG 22 15.980 0.694 5.057 170 1HB ARG 22 HB2 ARG 22 16.004 0.604 2.059 171 2HB ARG 22 HB1 ARG 22 17.092 1.735 2.861 172 1HG ARG 22 HG2 ARG 22 18.249 0.019 3.979 173 2HG ARG 22 HG1 ARG 22 16.945 -1.143 3.730 174 1HD ARG 22 HD2 ARG 22 18.606 -1.762 2.135 175 2HD ARG 22 HD1 ARG 22 17.427 -0.828 1.198 176 HE ARG 22 HE ARG 22 19.046 0.877 0.964 177 1HH1 ARG 22 HH11 ARG 22 19.799 -1.247 3.577 178 2HH1 ARG 22 HH12 ARG 22 21.373 -0.579 3.838 179 1HH2 ARG 22 HH21 ARG 22 21.104 1.751 1.289 180 2HH2 ARG 22 HH22 ARG 22 22.113 1.115 2.544 181 H ALA 23 HN ALA 23 14.413 2.299 2.275 182 HA ALA 23 HA ALA 23 14.693 4.964 3.242 183 1HB ALA 23 HB1 ALA 23 13.963 3.948 0.942 184 2HB ALA 23 HB2 ALA 23 13.243 5.477 1.441 185 3HB ALA 23 HB3 ALA 23 12.338 3.973 1.626 186 H LEU 24 HN LEU 24 11.912 2.685 3.535 187 HA LEU 24 HA LEU 24 10.541 4.448 5.437 188 1HB LEU 24 HB2 LEU 24 10.045 1.606 4.491 189 2HB LEU 24 HB1 LEU 24 8.876 2.640 5.322 190 HG LEU 24 HG LEU 24 10.144 3.141 2.621 191 1HD1 LEU 24 HD11 LEU 24 8.339 1.969 1.954 192 2HD1 LEU 24 HD12 LEU 24 7.398 3.380 2.437 193 3HD1 LEU 24 HD13 LEU 24 7.604 2.033 3.557 194 1HD2 LEU 24 HD21 LEU 24 8.857 4.916 4.600 195 2HD2 LEU 24 HD22 LEU 24 8.266 5.084 2.953 196 3HD2 LEU 24 HD23 LEU 24 9.981 5.296 3.312 197 H SER 25 HN SER 25 12.887 4.079 6.622 198 HA SER 25 HA SER 25 12.558 1.828 8.573 199 1HB SER 25 HB2 SER 25 14.885 3.314 7.368 200 2HB SER 25 HB1 SER 25 15.082 2.486 8.908 201 HG SER 25 HG SER 25 14.644 0.575 7.940 202 H ALA 26 HN ALA 26 11.413 4.694 8.473 203 HA ALA 26 HA ALA 26 12.645 6.348 10.421 204 1HB ALA 26 HB1 ALA 26 9.797 6.584 10.522 205 2HB ALA 26 HB2 ALA 26 10.242 6.162 8.868 206 3HB ALA 26 HB3 ALA 26 10.934 7.594 9.628 207 H ASP 27 HN ASP 27 12.184 6.612 12.666 208 HA ASP 27 HA ASP 27 12.026 4.312 14.286 209 1HB ASP 27 HB2 ASP 27 12.841 6.577 14.913 210 2HB ASP 27 HB1 ASP 27 11.181 7.170 14.872 211 H ARG 28 HN ARG 28 9.474 6.214 12.845 212 HA ARG 28 HA ARG 28 7.370 4.862 14.451 213 1HB ARG 28 HB2 ARG 28 5.955 6.614 13.399 214 2HB ARG 28 HB1 ARG 28 7.368 7.315 14.187 215 1HG ARG 28 HG2 ARG 28 8.522 7.537 12.069 216 2HG ARG 28 HG1 ARG 28 7.256 6.639 11.233 217 1HD ARG 28 HD2 ARG 28 5.713 8.413 11.412 218 2HD ARG 28 HD1 ARG 28 6.607 9.164 12.749 219 HE ARG 28 HE ARG 28 8.099 8.924 10.219 220 1HH1 ARG 28 HH11 ARG 28 6.101 10.845 12.292 221 2HH1 ARG 28 HH12 ARG 28 6.651 12.348 11.633 222 1HH2 ARG 28 HH21 ARG 28 8.811 10.885 9.356 223 2HH2 ARG 28 HH22 ARG 28 8.176 12.372 9.976 224 H TYR 29 HN TYR 29 8.913 3.419 12.261 225 HA TYR 29 HA TYR 29 6.661 3.003 10.335 226 1HB TYR 29 HB2 TYR 29 9.620 3.084 10.181 227 2HB TYR 29 HB1 TYR 29 8.811 1.910 9.138 228 HD1 TYR 29 HD1 TYR 29 8.128 2.646 7.041 229 HD2 TYR 29 HD2 TYR 29 8.357 5.442 10.283 230 HE1 TYR 29 HE1 TYR 29 7.428 4.460 5.524 231 HE2 TYR 29 HE2 TYR 29 7.672 7.268 8.761 232 HH TYR 29 HH TYR 29 7.575 7.800 6.459 233 H GLN 30 HN GLN 30 5.626 1.101 10.417 234 HA GLN 30 HA GLN 30 6.975 -1.228 11.757 235 1HB GLN 30 HB2 GLN 30 4.016 -0.848 11.244 236 2HB GLN 30 HB1 GLN 30 4.780 -1.908 12.425 237 1HG GLN 30 HG2 GLN 30 5.642 0.121 13.606 238 2HG GLN 30 HG1 GLN 30 4.718 1.118 12.485 239 1HE2 GLN 30 HE21 GLN 30 2.786 -1.542 12.783 240 2HE2 GLN 30 HE22 GLN 30 1.841 -1.072 14.109 241 H LEU 31 HN LEU 31 8.034 -1.815 9.745 242 HA LEU 31 HA LEU 31 6.518 -2.137 7.282 243 1HB LEU 31 HB2 LEU 31 9.227 -3.273 7.990 244 2HB LEU 31 HB1 LEU 31 8.639 -2.781 6.405 245 HG LEU 31 HG LEU 31 9.316 -0.991 8.747 246 1HD1 LEU 31 HD11 LEU 31 10.833 -1.978 6.634 247 2HD1 LEU 31 HD12 LEU 31 11.229 -0.583 7.635 248 3HD1 LEU 31 HD13 LEU 31 10.374 -0.358 6.106 249 1HD2 LEU 31 HD21 LEU 31 8.595 0.871 7.249 250 2HD2 LEU 31 HD22 LEU 31 7.254 -0.167 7.722 251 3HD2 LEU 31 HD23 LEU 31 7.964 -0.321 6.113 252 H GLN 32 HN GLN 32 5.574 -3.955 6.504 253 HA GLN 32 HA GLN 32 6.002 -6.537 7.968 254 1HB GLN 32 HB2 GLN 32 3.762 -5.546 8.334 255 2HB GLN 32 HB1 GLN 32 3.525 -5.436 6.589 256 1HG GLN 32 HG2 GLN 32 2.431 -7.452 7.560 257 2HG GLN 32 HG1 GLN 32 3.680 -7.870 6.385 258 1HE2 GLN 32 HE21 GLN 32 4.960 -9.561 7.120 259 2HE2 GLN 32 HE22 GLN 32 5.393 -9.828 8.740 260 H VAL 33 HN VAL 33 7.091 -7.933 6.611 261 HA VAL 33 HA VAL 33 6.994 -7.408 3.687 262 HB VAL 33 HB VAL 33 8.716 -9.314 5.285 263 1HG1 VAL 33 HG11 VAL 33 8.987 -8.033 2.549 264 2HG1 VAL 33 HG12 VAL 33 8.701 -9.742 2.883 265 3HG1 VAL 33 HG13 VAL 33 10.238 -9.001 3.329 266 1HG2 VAL 33 HG21 VAL 33 9.204 -6.418 4.515 267 2HG2 VAL 33 HG22 VAL 33 10.399 -7.490 5.244 268 3HG2 VAL 33 HG23 VAL 33 8.963 -7.025 6.154 269 H CYS 34 HN CYS 34 6.162 -8.832 2.237 270 HA CYS 34 HA CYS 34 5.038 -11.408 3.303 271 1HB CYS 34 HB2 CYS 34 4.010 -9.328 1.365 272 2HB CYS 34 HB1 CYS 34 3.355 -10.966 1.371 273 HG CYS 34 HG CYS 34 3.138 -10.258 4.151 274 H GLU 35 HN GLU 35 6.133 -13.124 2.405 275 HA GLU 35 HA GLU 35 8.031 -12.938 0.300 276 1HB GLU 35 HB2 GLU 35 6.389 -15.225 1.419 277 2HB GLU 35 HB1 GLU 35 7.726 -15.457 0.298 278 1HG GLU 35 HG2 GLU 35 9.152 -14.113 1.944 279 2HG GLU 35 HG1 GLU 35 7.827 -14.316 3.093 280 H SER 36 HN SER 36 4.572 -13.823 0.215 281 HA SER 36 HA SER 36 4.753 -13.904 -2.780 282 1HB SER 36 HB2 SER 36 3.514 -15.510 -0.719 283 2HB SER 36 HB1 SER 36 2.293 -14.924 -1.841 284 HG SER 36 HG SER 36 4.688 -15.886 -2.898 285 H GLY 37 HN GLY 37 2.284 -13.414 -3.596 286 1HA GLY 37 HA2 GLY 37 1.712 -10.661 -2.635 287 2HA GLY 37 HA1 GLY 37 1.129 -11.364 -4.152 288 H GLU 38 HN GLU 38 0.543 -13.899 -2.807 289 HA GLU 38 HA GLU 38 -2.213 -13.466 -2.071 290 1HB GLU 38 HB2 GLU 38 -0.185 -15.658 -2.271 291 2HB GLU 38 HB1 GLU 38 -1.620 -15.981 -1.320 292 1HG GLU 38 HG2 GLU 38 -2.978 -15.168 -3.323 293 2HG GLU 38 HG1 GLU 38 -1.473 -15.221 -4.240 294 H MET 39 HN MET 39 0.840 -13.941 -0.390 295 HA MET 39 HA MET 39 -0.161 -14.394 2.241 296 1HB MET 39 HB2 MET 39 2.406 -13.120 1.234 297 2HB MET 39 HB1 MET 39 2.175 -13.800 2.844 298 1HG MET 39 HG2 MET 39 1.840 -15.376 0.278 299 2HG MET 39 HG1 MET 39 3.310 -15.375 1.252 300 1HE MET 39 HE1 MET 39 2.809 -17.163 4.272 301 2HE MET 39 HE2 MET 39 2.067 -15.579 4.489 302 3HE MET 39 HE3 MET 39 3.493 -15.743 3.469 303 H LEU 40 HN LEU 40 0.749 -11.413 0.508 304 HA LEU 40 HA LEU 40 0.420 -9.566 2.657 305 1HB LEU 40 HB2 LEU 40 1.410 -9.321 0.274 306 2HB LEU 40 HB1 LEU 40 -0.251 -9.056 -0.250 307 HG LEU 40 HG LEU 40 0.679 -6.884 0.140 308 1HD1 LEU 40 HD11 LEU 40 -0.820 -6.003 1.726 309 2HD1 LEU 40 HD12 LEU 40 -0.752 -7.455 2.726 310 3HD1 LEU 40 HD13 LEU 40 -1.604 -7.488 1.185 311 1HD2 LEU 40 HD21 LEU 40 1.414 -7.612 2.969 312 2HD2 LEU 40 HD22 LEU 40 2.011 -6.283 1.976 313 3HD2 LEU 40 HD23 LEU 40 2.538 -7.934 1.647 314 H LEU 41 HN LEU 41 -1.914 -10.880 0.300 315 HA LEU 41 HA LEU 41 -4.155 -9.264 0.990 316 1HB LEU 41 HB2 LEU 41 -4.029 -12.176 0.136 317 2HB LEU 41 HB1 LEU 41 -5.421 -11.110 -0.036 318 HG LEU 41 HG LEU 41 -2.723 -10.636 -1.330 319 1HD1 LEU 41 HD11 LEU 41 -4.977 -12.313 -2.063 320 2HD1 LEU 41 HD12 LEU 41 -3.399 -12.167 -2.837 321 3HD1 LEU 41 HD13 LEU 41 -4.701 -11.058 -3.271 322 1HD2 LEU 41 HD21 LEU 41 -4.054 -8.592 -0.848 323 2HD2 LEU 41 HD22 LEU 41 -5.418 -9.292 -1.719 324 3HD2 LEU 41 HD23 LEU 41 -3.931 -8.897 -2.579 325 H GLU 42 HN GLU 42 -3.050 -12.401 2.295 326 HA GLU 42 HA GLU 42 -5.176 -12.844 4.128 327 1HB GLU 42 HB2 GLU 42 -3.376 -14.440 3.458 328 2HB GLU 42 HB1 GLU 42 -2.214 -13.475 4.366 329 1HG GLU 42 HG2 GLU 42 -3.423 -13.903 6.444 330 2HG GLU 42 HG1 GLU 42 -4.662 -14.799 5.567 331 H TYR 43 HN TYR 43 -2.093 -11.096 4.566 332 HA TYR 43 HA TYR 43 -2.587 -10.409 7.315 333 1HB TYR 43 HB2 TYR 43 -0.360 -10.334 6.466 334 2HB TYR 43 HB1 TYR 43 -0.837 -9.325 5.098 335 HD1 TYR 43 HD1 TYR 43 0.213 -9.360 8.565 336 HD2 TYR 43 HD2 TYR 43 -1.666 -6.988 5.523 337 HE1 TYR 43 HE1 TYR 43 0.615 -7.318 9.910 338 HE2 TYR 43 HE2 TYR 43 -1.257 -4.951 6.855 339 HH TYR 43 HH TYR 43 -0.456 -5.001 10.087 340 H ALA 44 HN ALA 44 -3.058 -8.597 4.256 341 HA ALA 44 HA ALA 44 -4.246 -6.292 5.570 342 1HB ALA 44 HB1 ALA 44 -4.334 -5.449 3.388 343 2HB ALA 44 HB2 ALA 44 -4.644 -7.035 2.684 344 3HB ALA 44 HB3 ALA 44 -3.027 -6.627 3.262 345 H GLN 45 HN GLN 45 -5.431 -9.393 4.670 346 HA GLN 45 HA GLN 45 -8.212 -8.591 4.216 347 1HB GLN 45 HB2 GLN 45 -6.583 -11.087 4.392 348 2HB GLN 45 HB1 GLN 45 -8.328 -11.234 4.616 349 1HG GLN 45 HG2 GLN 45 -8.751 -10.153 2.504 350 2HG GLN 45 HG1 GLN 45 -7.035 -9.806 2.292 351 1HE2 GLN 45 HE21 GLN 45 -7.813 -11.155 0.190 352 2HE2 GLN 45 HE22 GLN 45 -7.513 -12.824 0.283 353 H THR 46 HN THR 46 -6.315 -8.742 6.968 354 HA THR 46 HA THR 46 -8.769 -9.105 8.648 355 HB THR 46 HB THR 46 -7.600 -10.691 10.022 356 HG1 THR 46 HG1 THR 46 -5.389 -11.121 9.629 357 1HG2 THR 46 HG21 THR 46 -6.991 -12.442 8.385 358 2HG2 THR 46 HG22 THR 46 -6.906 -11.224 7.115 359 3HG2 THR 46 HG23 THR 46 -8.451 -11.592 7.882 360 H HIS 47 HN HIS 47 -7.025 -6.853 7.692 361 HA HIS 47 HA HIS 47 -6.989 -5.223 10.038 362 1HB HIS 47 HB2 HIS 47 -4.647 -6.948 9.438 363 2HB HIS 47 HB1 HIS 47 -4.258 -5.266 9.792 364 HD1 HIS 47 HD1 HIS 47 -3.771 -7.857 11.685 365 HD2 HIS 47 HD2 HIS 47 -6.736 -4.962 12.124 366 HE1 HIS 47 HE1 HIS 47 -4.475 -7.918 14.116 367 H ARG 48 HN ARG 48 -7.967 -3.998 8.159 368 HA ARG 48 HA ARG 48 -6.101 -3.180 6.003 369 1HB ARG 48 HB2 ARG 48 -8.826 -1.997 6.343 370 2HB ARG 48 HB1 ARG 48 -8.031 -2.561 4.876 371 1HG ARG 48 HG2 ARG 48 -8.301 -4.923 5.785 372 2HG ARG 48 HG1 ARG 48 -9.356 -4.230 7.016 373 1HD ARG 48 HD2 ARG 48 -10.109 -3.228 4.406 374 2HD ARG 48 HD1 ARG 48 -10.125 -5.001 4.420 375 HE ARG 48 HE ARG 48 -11.278 -4.269 6.848 376 1HH1 ARG 48 HH11 ARG 48 -11.845 -3.688 3.493 377 2HH1 ARG 48 HH12 ARG 48 -13.550 -3.456 3.689 378 1HH2 ARG 48 HH21 ARG 48 -13.494 -3.966 7.119 379 2HH2 ARG 48 HH22 ARG 48 -14.486 -3.612 5.744 380 H ASP 49 HN ASP 49 -8.244 -1.550 8.313 381 HA ASP 49 HA ASP 49 -7.201 1.081 8.002 382 1HB ASP 49 HB2 ASP 49 -8.450 -0.322 10.388 383 2HB ASP 49 HB1 ASP 49 -8.283 1.427 10.227 384 H GLN 50 HN GLN 50 -6.070 -1.670 9.872 385 HA GLN 50 HA GLN 50 -4.235 -0.236 11.582 386 1HB GLN 50 HB2 GLN 50 -4.373 -3.103 10.587 387 2HB GLN 50 HB1 GLN 50 -3.325 -2.555 11.899 388 1HG GLN 50 HG2 GLN 50 -6.337 -2.223 11.881 389 2HG GLN 50 HG1 GLN 50 -5.487 -3.528 12.710 390 1HE2 GLN 50 HE21 GLN 50 -6.792 -0.498 13.245 391 2HE2 GLN 50 HE22 GLN 50 -5.857 -0.035 14.586 392 H ILE 51 HN ILE 51 -4.216 -0.927 8.248 393 HA ILE 51 HA ILE 51 -1.253 -0.951 8.032 394 HB ILE 51 HB ILE 51 -3.226 -0.911 5.757 395 1HG1 ILE 51 HG12 ILE 51 -4.237 -2.569 7.123 396 2HG1 ILE 51 HG11 ILE 51 -3.214 -3.472 6.008 397 1HG2 ILE 51 HG21 ILE 51 -1.163 -1.084 4.795 398 2HG2 ILE 51 HG22 ILE 51 -1.338 -2.790 5.210 399 3HG2 ILE 51 HG23 ILE 51 -0.421 -1.715 6.266 400 1HD1 ILE 51 HD11 ILE 51 -2.762 -2.892 8.925 401 2HD1 ILE 51 HD12 ILE 51 -1.397 -3.243 7.865 402 3HD1 ILE 51 HD13 ILE 51 -2.680 -4.434 8.076 403 H ASP 52 HN ASP 52 -0.203 1.000 7.766 404 HA ASP 52 HA ASP 52 -1.845 3.370 7.125 405 1HB ASP 52 HB2 ASP 52 0.871 2.815 8.258 406 2HB ASP 52 HB1 ASP 52 0.494 4.423 7.657 407 H CYS 53 HN CYS 53 0.534 1.317 5.564 408 HA CYS 53 HA CYS 53 0.129 2.796 3.050 409 1HB CYS 53 HB2 CYS 53 2.023 3.779 4.679 410 2HB CYS 53 HB1 CYS 53 2.976 2.514 3.906 411 HG CYS 53 HG CYS 53 1.434 4.562 2.125 412 H LEU 54 HN LEU 54 0.232 1.308 1.357 413 HA LEU 54 HA LEU 54 1.513 -1.335 2.018 414 1HB LEU 54 HB2 LEU 54 -1.008 -0.841 1.220 415 2HB LEU 54 HB1 LEU 54 -0.244 -0.952 -0.367 416 HG LEU 54 HG LEU 54 0.125 -3.051 1.788 417 1HD1 LEU 54 HD11 LEU 54 -1.501 -3.860 -0.470 418 2HD1 LEU 54 HD12 LEU 54 -2.238 -2.498 0.374 419 3HD1 LEU 54 HD13 LEU 54 -1.853 -3.977 1.254 420 1HD2 LEU 54 HD21 LEU 54 1.188 -4.320 0.138 421 2HD2 LEU 54 HD22 LEU 54 1.708 -2.698 -0.294 422 3HD2 LEU 54 HD23 LEU 54 0.394 -3.458 -1.178 423 H ILE 55 HN ILE 55 3.306 -1.955 0.846 424 HA ILE 55 HA ILE 55 4.183 -0.131 -1.364 425 HB ILE 55 HB ILE 55 5.676 -2.242 0.203 426 1HG1 ILE 55 HG12 ILE 55 5.656 0.741 0.673 427 2HG1 ILE 55 HG11 ILE 55 4.725 -0.415 1.632 428 1HG2 ILE 55 HG21 ILE 55 7.628 -1.399 -0.750 429 2HG2 ILE 55 HG22 ILE 55 6.887 0.156 -1.127 430 3HG2 ILE 55 HG23 ILE 55 6.491 -1.267 -2.092 431 1HD1 ILE 55 HD11 ILE 55 7.344 0.323 2.129 432 2HD1 ILE 55 HD12 ILE 55 7.514 -1.219 1.288 433 3HD1 ILE 55 HD13 ILE 55 6.548 -1.118 2.761 434 H LEU 56 HN LEU 56 4.305 -0.977 -3.452 435 HA LEU 56 HA LEU 56 4.090 -3.948 -3.718 436 1HB LEU 56 HB2 LEU 56 2.467 -1.773 -5.053 437 2HB LEU 56 HB1 LEU 56 2.472 -3.450 -5.602 438 HG LEU 56 HG LEU 56 1.814 -2.615 -2.769 439 1HD1 LEU 56 HD11 LEU 56 -0.327 -2.257 -3.389 440 2HD1 LEU 56 HD12 LEU 56 -0.351 -3.702 -4.397 441 3HD1 LEU 56 HD13 LEU 56 0.273 -2.184 -5.045 442 1HD2 LEU 56 HD21 LEU 56 2.161 -4.836 -2.451 443 2HD2 LEU 56 HD22 LEU 56 2.228 -5.150 -4.184 444 3HD2 LEU 56 HD23 LEU 56 0.671 -5.080 -3.361 445 H VAL 57 HN VAL 57 4.859 -4.776 -5.705 446 HA VAL 57 HA VAL 57 6.687 -2.937 -7.228 447 HB VAL 57 HB VAL 57 7.052 -5.895 -6.618 448 1HG1 VAL 57 HG11 VAL 57 9.514 -4.602 -6.964 449 2HG1 VAL 57 HG12 VAL 57 8.472 -3.929 -8.215 450 3HG1 VAL 57 HG13 VAL 57 8.717 -5.673 -8.117 451 1HG2 VAL 57 HG21 VAL 57 7.837 -5.399 -4.565 452 2HG2 VAL 57 HG22 VAL 57 7.170 -3.780 -4.776 453 3HG2 VAL 57 HG23 VAL 57 8.849 -4.105 -5.204 454 H ALA 58 HN ALA 58 5.808 -2.772 -9.305 455 HA ALA 58 HA ALA 58 3.769 -4.446 -10.359 456 1HB ALA 58 HB1 ALA 58 3.862 -2.673 -11.753 457 2HB ALA 58 HB2 ALA 58 5.294 -3.389 -12.495 458 3HB ALA 58 HB3 ALA 58 5.468 -2.249 -11.161 459 H ALA 59 HN ALA 59 7.241 -4.837 -10.289 460 HA ALA 59 HA ALA 59 7.575 -6.729 -12.400 461 1HB ALA 59 HB1 ALA 59 9.162 -5.383 -10.661 462 2HB ALA 59 HB2 ALA 59 9.724 -6.776 -11.586 463 3HB ALA 59 HB3 ALA 59 9.190 -6.982 -9.919 464 H ASN 60 HN ASN 60 6.038 -7.057 -9.297 465 HA ASN 60 HA ASN 60 6.522 -9.883 -8.868 466 1HB ASN 60 HB2 ASN 60 4.555 -7.796 -7.947 467 2HB ASN 60 HB1 ASN 60 4.310 -9.484 -7.500 468 1HD2 ASN 60 HD21 ASN 60 7.577 -8.183 -7.913 469 2HD2 ASN 60 HD22 ASN 60 7.988 -8.216 -6.267 470 HA PRO 61 HA PRO 61 3.735 -11.495 -11.887 471 1HB PRO 61 HB2 PRO 61 3.220 -13.939 -10.778 472 2HB PRO 61 HB1 PRO 61 4.755 -13.547 -11.581 473 1HG PRO 61 HG2 PRO 61 4.111 -13.659 -8.683 474 2HG PRO 61 HG1 PRO 61 5.573 -14.141 -9.546 475 1HD PRO 61 HD2 PRO 61 5.348 -11.805 -8.139 476 2HD PRO 61 HD1 PRO 61 6.460 -12.033 -9.509 477 H SER 62 HN SER 62 1.478 -12.124 -12.070 478 HA SER 62 HA SER 62 -0.773 -11.466 -11.590 479 1HB SER 62 HB2 SER 62 -1.389 -12.798 -9.398 480 2HB SER 62 HB1 SER 62 -0.899 -13.671 -10.845 481 HG SER 62 HG SER 62 1.216 -13.736 -9.985 482 H PHE 63 HN PHE 63 1.292 -9.557 -10.482 483 HA PHE 63 HA PHE 63 0.570 -8.774 -7.827 484 1HB PHE 63 HB2 PHE 63 2.589 -7.909 -8.546 485 2HB PHE 63 HB1 PHE 63 2.012 -7.667 -10.192 486 HD1 PHE 63 HD1 PHE 63 1.190 -6.415 -6.733 487 HD2 PHE 63 HD2 PHE 63 1.768 -5.490 -10.882 488 HE1 PHE 63 HE1 PHE 63 0.779 -4.028 -6.259 489 HE2 PHE 63 HE2 PHE 63 1.360 -3.102 -10.414 490 HZ PHE 63 HZ PHE 63 0.859 -2.358 -8.096 491 H ARG 64 HN ARG 64 -0.525 -7.609 -11.008 492 HA ARG 64 HA ARG 64 -2.296 -5.587 -10.203 493 1HB ARG 64 HB2 ARG 64 -2.700 -7.694 -12.361 494 2HB ARG 64 HB1 ARG 64 -3.406 -6.082 -12.341 495 1HG ARG 64 HG2 ARG 64 -0.460 -6.762 -12.590 496 2HG ARG 64 HG1 ARG 64 -1.493 -6.065 -13.833 497 1HD ARG 64 HD2 ARG 64 -1.840 -4.346 -11.676 498 2HD ARG 64 HD1 ARG 64 -0.110 -4.723 -11.651 499 HE ARG 64 HE ARG 64 -1.588 -3.621 -14.004 500 1HH1 ARG 64 HH11 ARG 64 1.394 -4.412 -12.386 501 2HH1 ARG 64 HH12 ARG 64 2.366 -3.584 -13.547 502 1HH2 ARG 64 HH21 ARG 64 -0.303 -2.557 -15.492 503 2HH2 ARG 64 HH22 ARG 64 1.419 -2.544 -15.295 504 H ALA 65 HN ALA 65 -2.851 -9.096 -10.445 505 HA ALA 65 HA ALA 65 -5.604 -9.067 -9.611 506 1HB ALA 65 HB1 ALA 65 -4.220 -11.481 -8.868 507 2HB ALA 65 HB2 ALA 65 -3.604 -10.915 -10.420 508 3HB ALA 65 HB3 ALA 65 -5.329 -11.223 -10.214 509 H VAL 66 HN VAL 66 -2.537 -9.263 -7.851 510 HA VAL 66 HA VAL 66 -3.628 -9.940 -5.279 511 HB VAL 66 HB VAL 66 -1.148 -8.390 -6.084 512 1HG1 VAL 66 HG11 VAL 66 -2.160 -9.434 -3.504 513 2HG1 VAL 66 HG12 VAL 66 -1.047 -8.104 -3.822 514 3HG1 VAL 66 HG13 VAL 66 -0.464 -9.767 -3.852 515 1HG2 VAL 66 HG21 VAL 66 -1.920 -11.129 -6.481 516 2HG2 VAL 66 HG22 VAL 66 -0.581 -11.071 -5.335 517 3HG2 VAL 66 HG23 VAL 66 -0.408 -10.339 -6.929 518 H VAL 67 HN VAL 67 -2.959 -6.817 -6.896 519 HA VAL 67 HA VAL 67 -3.669 -5.204 -4.605 520 HB VAL 67 HB VAL 67 -3.776 -4.500 -7.553 521 1HG1 VAL 67 HG11 VAL 67 -4.537 -2.601 -6.482 522 2HG1 VAL 67 HG12 VAL 67 -2.803 -2.329 -6.299 523 3HG1 VAL 67 HG13 VAL 67 -3.735 -3.011 -4.967 524 1HG2 VAL 67 HG21 VAL 67 -1.568 -4.960 -7.612 525 2HG2 VAL 67 HG22 VAL 67 -1.569 -5.375 -5.896 526 3HG2 VAL 67 HG23 VAL 67 -1.325 -3.703 -6.399 527 H GLN 68 HN GLN 68 -5.516 -6.250 -7.519 528 HA GLN 68 HA GLN 68 -7.940 -4.896 -6.833 529 1HB GLN 68 HB2 GLN 68 -8.962 -6.547 -8.368 530 2HB GLN 68 HB1 GLN 68 -7.443 -5.941 -9.029 531 1HG GLN 68 HG2 GLN 68 -6.270 -7.913 -8.391 532 2HG GLN 68 HG1 GLN 68 -7.614 -8.485 -7.405 533 1HE2 GLN 68 HE21 GLN 68 -9.477 -9.405 -8.510 534 2HE2 GLN 68 HE22 GLN 68 -9.420 -9.823 -10.152 535 H GLN 69 HN GLN 69 -6.535 -7.979 -5.792 536 HA GLN 69 HA GLN 69 -8.821 -9.059 -4.464 537 1HB GLN 69 HB2 GLN 69 -6.536 -10.106 -4.998 538 2HB GLN 69 HB1 GLN 69 -5.928 -9.264 -3.573 539 1HG GLN 69 HG2 GLN 69 -6.547 -11.400 -2.760 540 2HG GLN 69 HG1 GLN 69 -7.903 -10.363 -2.319 541 1HE2 GLN 69 HE21 GLN 69 -9.771 -11.589 -2.622 542 2HE2 GLN 69 HE22 GLN 69 -10.104 -12.522 -4.002 543 H LEU 70 HN LEU 70 -6.280 -6.789 -3.397 544 HA LEU 70 HA LEU 70 -7.140 -6.522 -0.673 545 1HB LEU 70 HB2 LEU 70 -5.542 -4.954 -2.672 546 2HB LEU 70 HB1 LEU 70 -6.035 -4.136 -1.190 547 HG LEU 70 HG LEU 70 -4.963 -6.824 -0.707 548 1HD1 LEU 70 HD11 LEU 70 -3.139 -4.677 -1.836 549 2HD1 LEU 70 HD12 LEU 70 -3.565 -6.180 -2.655 550 3HD1 LEU 70 HD13 LEU 70 -2.622 -6.223 -1.165 551 1HD2 LEU 70 HD21 LEU 70 -5.349 -5.237 1.095 552 2HD2 LEU 70 HD22 LEU 70 -4.349 -4.026 0.293 553 3HD2 LEU 70 HD23 LEU 70 -3.610 -5.488 0.944 554 H CYS 71 HN CYS 71 -7.828 -4.532 -3.566 555 HA CYS 71 HA CYS 71 -9.723 -2.765 -2.367 556 1HB CYS 71 HB2 CYS 71 -9.297 -3.800 -5.184 557 2HB CYS 71 HB1 CYS 71 -10.419 -2.496 -4.800 558 HG CYS 71 HG CYS 71 -8.204 -1.293 -3.696 559 H PHE 72 HN PHE 72 -10.103 -5.948 -3.903 560 HA PHE 72 HA PHE 72 -12.932 -6.054 -4.075 561 1HB PHE 72 HB2 PHE 72 -11.576 -7.710 -5.129 562 2HB PHE 72 HB1 PHE 72 -10.739 -8.089 -3.627 563 HD1 PHE 72 HD1 PHE 72 -11.519 -9.798 -2.218 564 HD2 PHE 72 HD2 PHE 72 -14.109 -8.194 -5.244 565 HE1 PHE 72 HE1 PHE 72 -13.185 -11.568 -1.729 566 HE2 PHE 72 HE2 PHE 72 -15.779 -9.965 -4.754 567 HZ PHE 72 HZ PHE 72 -15.314 -11.651 -2.996 568 H GLU 73 HN GLU 73 -10.763 -6.913 -1.364 569 HA GLU 73 HA GLU 73 -12.969 -7.666 0.398 570 1HB GLU 73 HB2 GLU 73 -10.055 -6.987 0.934 571 2HB GLU 73 HB1 GLU 73 -11.135 -7.837 2.039 572 1HG GLU 73 HG2 GLU 73 -10.575 -8.839 -0.756 573 2HG GLU 73 HG1 GLU 73 -9.591 -9.310 0.630 574 H GLY 74 HN GLY 74 -11.636 -4.724 -0.673 575 1HA GLY 74 HA2 GLY 74 -12.649 -2.603 -0.113 576 2HA GLY 74 HA1 GLY 74 -13.115 -3.270 1.448 577 H VAL 75 HN VAL 75 -9.904 -4.091 0.619 578 HA VAL 75 HA VAL 75 -8.877 -2.352 2.751 579 HB VAL 75 HB VAL 75 -7.424 -4.164 0.800 580 1HG1 VAL 75 HG11 VAL 75 -6.575 -2.471 2.950 581 2HG1 VAL 75 HG12 VAL 75 -5.594 -3.548 1.958 582 3HG1 VAL 75 HG13 VAL 75 -6.337 -4.148 3.439 583 1HG2 VAL 75 HG21 VAL 75 -9.454 -4.927 2.512 584 2HG2 VAL 75 HG22 VAL 75 -8.012 -5.178 3.498 585 3HG2 VAL 75 HG23 VAL 75 -8.165 -5.984 1.938 586 H VAL 76 HN VAL 76 -8.580 -0.202 2.217 587 HA VAL 76 HA VAL 76 -7.146 0.381 -0.354 588 HB VAL 76 HB VAL 76 -9.161 2.193 0.996 589 1HG1 VAL 76 HG11 VAL 76 -9.297 2.610 -1.698 590 2HG1 VAL 76 HG12 VAL 76 -7.604 2.146 -1.523 591 3HG1 VAL 76 HG13 VAL 76 -8.239 3.520 -0.619 592 1HG2 VAL 76 HG21 VAL 76 -10.593 1.202 -1.035 593 2HG2 VAL 76 HG22 VAL 76 -10.598 0.435 0.553 594 3HG2 VAL 76 HG23 VAL 76 -9.579 -0.210 -0.734 595 H VAL 77 HN VAL 77 -5.196 1.295 0.063 596 HA VAL 77 HA VAL 77 -4.883 3.140 2.391 597 HB VAL 77 HB VAL 77 -2.732 1.791 2.860 598 1HG1 VAL 77 HG11 VAL 77 -4.081 -0.058 4.010 599 2HG1 VAL 77 HG12 VAL 77 -5.509 0.691 3.295 600 3HG1 VAL 77 HG13 VAL 77 -4.507 1.602 4.426 601 1HG2 VAL 77 HG21 VAL 77 -2.572 0.513 0.823 602 2HG2 VAL 77 HG22 VAL 77 -4.220 -0.091 1.002 603 3HG2 VAL 77 HG23 VAL 77 -2.960 -0.631 2.108 604 HA PRO 78 HA PRO 78 -2.224 5.334 -0.355 605 1HB PRO 78 HB2 PRO 78 -0.062 5.931 1.240 606 2HB PRO 78 HB1 PRO 78 -1.617 6.782 1.356 607 1HG PRO 78 HG2 PRO 78 -0.568 4.525 2.997 608 2HG PRO 78 HG1 PRO 78 -1.394 6.003 3.528 609 1HD PRO 78 HD2 PRO 78 -2.712 3.681 3.360 610 2HD PRO 78 HD1 PRO 78 -3.495 5.209 2.888 611 H ALA 79 HN ALA 79 -1.755 3.518 -1.698 612 HA ALA 79 HA ALA 79 0.518 1.787 -0.921 613 1HB ALA 79 HB1 ALA 79 -1.036 1.474 -3.441 614 2HB ALA 79 HB2 ALA 79 -1.908 1.273 -1.921 615 3HB ALA 79 HB3 ALA 79 -0.516 0.251 -2.281 616 H ILE 80 HN ILE 80 2.511 2.306 -1.629 617 HA ILE 80 HA ILE 80 2.886 4.142 -3.921 618 HB ILE 80 HB ILE 80 4.858 2.750 -2.071 619 1HG1 ILE 80 HG12 ILE 80 3.629 5.511 -1.799 620 2HG1 ILE 80 HG11 ILE 80 3.093 4.103 -0.885 621 1HG2 ILE 80 HG21 ILE 80 5.772 5.291 -2.830 622 2HG2 ILE 80 HG22 ILE 80 5.104 4.592 -4.306 623 3HG2 ILE 80 HG23 ILE 80 6.369 3.740 -3.421 624 1HD1 ILE 80 HD11 ILE 80 5.944 5.128 -0.870 625 2HD1 ILE 80 HD12 ILE 80 5.259 3.876 0.167 626 3HD1 ILE 80 HD13 ILE 80 4.742 5.554 0.349 627 H VAL 81 HN VAL 81 3.037 3.219 -5.950 628 HA VAL 81 HA VAL 81 3.820 0.349 -6.149 629 HB VAL 81 HB VAL 81 2.523 2.296 -8.082 630 1HG1 VAL 81 HG11 VAL 81 2.419 -0.650 -8.484 631 2HG1 VAL 81 HG12 VAL 81 3.961 0.134 -8.827 632 3HG1 VAL 81 HG13 VAL 81 2.503 0.646 -9.678 633 1HG2 VAL 81 HG21 VAL 81 0.899 1.831 -6.460 634 2HG2 VAL 81 HG22 VAL 81 1.536 0.217 -6.147 635 3HG2 VAL 81 HG23 VAL 81 0.616 0.531 -7.619 636 H VAL 82 HN VAL 82 5.624 -0.293 -7.321 637 HA VAL 82 HA VAL 82 7.461 1.904 -8.202 638 HB VAL 82 HB VAL 82 8.166 -0.951 -7.515 639 1HG1 VAL 82 HG11 VAL 82 9.839 1.453 -6.913 640 2HG1 VAL 82 HG12 VAL 82 9.717 0.922 -8.591 641 3HG1 VAL 82 HG13 VAL 82 10.337 -0.178 -7.361 642 1HG2 VAL 82 HG21 VAL 82 7.282 -0.504 -5.461 643 2HG2 VAL 82 HG22 VAL 82 7.255 1.237 -5.745 644 3HG2 VAL 82 HG23 VAL 82 8.752 0.448 -5.249 645 H GLY 83 HN GLY 83 8.270 1.858 -10.292 646 1HA GLY 83 HA2 GLY 83 9.003 0.479 -12.233 647 2HA GLY 83 HA1 GLY 83 7.571 -0.517 -11.971 648 H ASP 84 HN ASP 84 7.512 2.995 -11.741 649 HA ASP 84 HA ASP 84 5.847 3.041 -14.238 650 1HB ASP 84 HB2 ASP 84 5.641 4.726 -11.721 651 2HB ASP 84 HB1 ASP 84 4.518 4.749 -13.083 652 H ARG 85 HN ARG 85 5.942 5.066 -15.448 653 HA ARG 85 HA ARG 85 8.576 6.459 -15.150 654 1HB ARG 85 HB2 ARG 85 6.738 5.830 -17.462 655 2HB ARG 85 HB1 ARG 85 8.078 6.969 -17.616 656 1HG ARG 85 HG2 ARG 85 9.669 5.238 -16.942 657 2HG ARG 85 HG1 ARG 85 8.346 4.093 -16.695 658 1HD ARG 85 HD2 ARG 85 7.886 3.932 -19.002 659 2HD ARG 85 HD1 ARG 85 8.735 5.444 -19.370 660 HE ARG 85 HE ARG 85 10.005 2.830 -18.877 661 1HH1 ARG 85 HH11 ARG 85 10.307 6.272 -19.041 662 2HH1 ARG 85 HH12 ARG 85 12.008 6.233 -19.355 663 1HH2 ARG 85 HH21 ARG 85 12.222 2.777 -19.280 664 2HH2 ARG 85 HH22 ARG 85 13.091 4.261 -19.487 665 H ASP 86 HN ASP 86 8.416 8.763 -16.223 666 HA ASP 86 HA ASP 86 6.273 10.237 -14.798 667 1HB ASP 86 HB2 ASP 86 8.872 10.881 -16.193 668 2HB ASP 86 HB1 ASP 86 7.758 12.169 -15.736 669 H SER 87 HN SER 87 6.958 9.073 -17.944 670 HA SER 87 HA SER 87 5.787 11.109 -19.581 671 1HB SER 87 HB2 SER 87 6.148 8.117 -19.873 672 2HB SER 87 HB1 SER 87 5.631 9.163 -21.194 673 HG SER 87 HG SER 87 7.919 8.827 -21.123 674 H GLU 88 HN GLU 88 3.810 9.979 -21.069 675 HA GLU 88 HA GLU 88 1.468 10.232 -19.353 676 1HB GLU 88 HB2 GLU 88 0.308 10.114 -21.496 677 2HB GLU 88 HB1 GLU 88 1.745 11.118 -21.684 678 1HG GLU 88 HG2 GLU 88 2.975 9.124 -22.551 679 2HG GLU 88 HG1 GLU 88 1.477 8.199 -22.464 680 H ASP 89 HN ASP 89 3.464 7.658 -19.634 681 HA ASP 89 HA ASP 89 3.151 5.329 -19.310 682 1HB ASP 89 HB2 ASP 89 1.355 6.790 -17.765 683 2HB ASP 89 HB1 ASP 89 0.321 5.614 -18.582 684 HA PRO 90 HA PRO 90 0.680 5.344 -23.290 685 1HB PRO 90 HB2 PRO 90 2.735 4.712 -24.972 686 2HB PRO 90 HB1 PRO 90 2.315 6.382 -24.545 687 1HG PRO 90 HG2 PRO 90 4.502 4.655 -23.513 688 2HG PRO 90 HG1 PRO 90 4.494 6.395 -23.841 689 1HD PRO 90 HD2 PRO 90 4.265 5.297 -21.338 690 2HD PRO 90 HD1 PRO 90 3.654 6.906 -21.783 691 H ASP 91 HN ASP 91 3.437 3.185 -22.564 692 HA ASP 91 HA ASP 91 2.525 0.873 -23.893 693 1HB ASP 91 HB2 ASP 91 4.042 1.220 -21.286 694 2HB ASP 91 HB1 ASP 91 3.952 -0.295 -22.185 695 H GLU 92 HN GLU 92 1.592 2.211 -20.760 696 HA GLU 92 HA GLU 92 -0.808 0.499 -20.737 697 1HB GLU 92 HB2 GLU 92 1.590 0.187 -18.957 698 2HB GLU 92 HB1 GLU 92 -0.011 -0.192 -18.317 699 1HG GLU 92 HG2 GLU 92 -0.255 -1.554 -20.563 700 2HG GLU 92 HG1 GLU 92 1.509 -1.529 -20.533 701 HA PRO 93 HA PRO 93 -2.189 4.151 -18.649 702 1HB PRO 93 HB2 PRO 93 -4.645 3.224 -17.876 703 2HB PRO 93 HB1 PRO 93 -4.276 3.694 -19.546 704 1HG PRO 93 HG2 PRO 93 -4.474 0.991 -18.339 705 2HG PRO 93 HG1 PRO 93 -4.919 1.541 -19.962 706 1HD PRO 93 HD2 PRO 93 -2.619 0.149 -19.356 707 2HD PRO 93 HD1 PRO 93 -2.828 1.181 -20.787 708 H ALA 94 HN ALA 94 -0.369 2.781 -17.121 709 HA ALA 94 HA ALA 94 -1.235 1.537 -14.733 710 1HB ALA 94 HB1 ALA 94 1.124 2.313 -15.975 711 2HB ALA 94 HB2 ALA 94 1.010 1.513 -14.406 712 3HB ALA 94 HB3 ALA 94 1.116 3.269 -14.493 713 H LYS 95 HN LYS 95 -1.499 4.848 -15.703 714 HA LYS 95 HA LYS 95 -1.280 6.308 -13.329 715 1HB LYS 95 HB2 LYS 95 -1.795 7.169 -15.615 716 2HB LYS 95 HB1 LYS 95 -3.433 6.532 -15.459 717 1HG LYS 95 HG2 LYS 95 -3.806 7.959 -13.480 718 2HG LYS 95 HG1 LYS 95 -2.170 8.601 -13.635 719 1HD LYS 95 HD2 LYS 95 -2.722 9.477 -15.874 720 2HD LYS 95 HD1 LYS 95 -4.358 8.839 -15.720 721 1HE LYS 95 HE2 LYS 95 -3.072 11.019 -14.044 722 2HE LYS 95 HE1 LYS 95 -4.502 11.155 -15.088 723 1HZ LYS 95 HZ1 LYS 95 -4.222 9.817 -12.492 724 2HZ LYS 95 HZ2 LYS 95 -5.303 9.157 -13.624 725 3HZ LYS 95 HZ3 LYS 95 -5.503 10.755 -13.085 726 H GLU 96 HN GLU 96 -4.200 4.545 -14.477 727 HA GLU 96 HA GLU 96 -5.059 4.358 -11.616 728 1HB GLU 96 HB2 GLU 96 -6.109 6.288 -12.890 729 2HB GLU 96 HB1 GLU 96 -6.866 5.087 -13.937 730 1HG GLU 96 HG2 GLU 96 -8.042 4.103 -12.061 731 2HG GLU 96 HG1 GLU 96 -7.184 5.146 -10.924 732 H GLN 97 HN GLN 97 -4.633 2.097 -11.567 733 HA GLN 97 HA GLN 97 -6.673 0.329 -12.512 734 1HB GLN 97 HB2 GLN 97 -5.542 -0.735 -14.367 735 2HB GLN 97 HB1 GLN 97 -5.543 0.999 -14.680 736 1HG GLN 97 HG2 GLN 97 -3.261 1.202 -13.884 737 2HG GLN 97 HG1 GLN 97 -3.251 -0.488 -13.372 738 1HE2 GLN 97 HE21 GLN 97 -1.840 -1.504 -14.823 739 2HE2 GLN 97 HE22 GLN 97 -1.955 -1.393 -16.512 740 H LEU 98 HN LEU 98 -3.331 0.769 -11.464 741 HA LEU 98 HA LEU 98 -2.812 -1.971 -10.711 742 1HB LEU 98 HB2 LEU 98 -1.690 0.695 -9.783 743 2HB LEU 98 HB1 LEU 98 -0.953 -0.870 -9.443 744 HG LEU 98 HG LEU 98 -1.446 0.288 -12.200 745 1HD1 LEU 98 HD11 LEU 98 0.794 0.869 -12.268 746 2HD1 LEU 98 HD12 LEU 98 1.257 -0.362 -11.094 747 3HD1 LEU 98 HD13 LEU 98 0.475 1.122 -10.553 748 1HD2 LEU 98 HD21 LEU 98 -0.965 -2.399 -11.237 749 2HD2 LEU 98 HD22 LEU 98 0.368 -1.865 -12.261 750 3HD2 LEU 98 HD23 LEU 98 -1.283 -1.851 -12.882 751 H TYR 99 HN TYR 99 -3.628 0.933 -8.813 752 HA TYR 99 HA TYR 99 -4.991 -0.831 -6.844 753 1HB TYR 99 HB2 TYR 99 -2.531 0.032 -6.377 754 2HB TYR 99 HB1 TYR 99 -3.351 1.541 -5.984 755 HD1 TYR 99 HD1 TYR 99 -1.768 -0.193 -4.017 756 HD2 TYR 99 HD2 TYR 99 -5.936 -0.091 -5.051 757 HE1 TYR 99 HE1 TYR 99 -2.351 -1.061 -1.764 758 HE2 TYR 99 HE2 TYR 99 -6.513 -0.960 -2.802 759 HH TYR 99 HH TYR 99 -5.502 -2.193 -0.999 760 H HIS 100 HN HIS 100 -5.058 2.071 -5.418 761 HA HIS 100 HA HIS 100 -7.575 2.831 -6.831 762 1HB HIS 100 HB2 HIS 100 -7.906 4.174 -4.701 763 2HB HIS 100 HB1 HIS 100 -7.802 2.428 -4.472 764 HD2 HIS 100 HD2 HIS 100 -5.546 1.553 -3.012 765 HE1 HIS 100 HE1 HIS 100 -3.841 5.369 -2.410 766 HE2 HIS 100 HE2 HIS 100 -3.723 2.937 -1.810 767 H SER 101 HN SER 101 -7.966 5.301 -6.860 768 HA SER 101 HA SER 101 -6.039 6.573 -8.508 769 1HB SER 101 HB2 SER 101 -8.633 6.997 -7.487 770 2HB SER 101 HB1 SER 101 -7.709 8.435 -7.055 771 HG SER 101 HG SER 101 -7.128 8.642 -9.230 772 H ALA 102 HN ALA 102 -6.124 6.316 -5.039 773 HA ALA 102 HA ALA 102 -4.499 8.729 -4.586 774 1HB ALA 102 HB1 ALA 102 -6.121 6.851 -3.109 775 2HB ALA 102 HB2 ALA 102 -5.575 8.459 -2.626 776 3HB ALA 102 HB3 ALA 102 -4.560 7.052 -2.313 777 H GLU 103 HN GLU 103 -3.939 5.268 -4.980 778 HA GLU 103 HA GLU 103 -1.556 4.745 -3.748 779 1HB GLU 103 HB2 GLU 103 -1.443 3.013 -5.281 780 2HB GLU 103 HB1 GLU 103 -3.095 3.548 -5.576 781 1HG GLU 103 HG2 GLU 103 -2.020 5.140 -7.343 782 2HG GLU 103 HG1 GLU 103 -0.627 4.065 -7.227 783 H LEU 104 HN LEU 104 0.526 5.521 -3.845 784 HA LEU 104 HA LEU 104 1.117 7.672 -5.814 785 1HB LEU 104 HB2 LEU 104 1.820 6.989 -3.086 786 2HB LEU 104 HB1 LEU 104 3.281 7.223 -4.046 787 HG LEU 104 HG LEU 104 2.155 9.365 -4.925 788 1HD1 LEU 104 HD11 LEU 104 0.220 8.437 -2.873 789 2HD1 LEU 104 HD12 LEU 104 -0.042 9.445 -4.297 790 3HD1 LEU 104 HD13 LEU 104 0.621 10.155 -2.825 791 1HD2 LEU 104 HD21 LEU 104 3.847 10.013 -3.549 792 2HD2 LEU 104 HD22 LEU 104 3.434 8.812 -2.326 793 3HD2 LEU 104 HD23 LEU 104 2.562 10.343 -2.388 794 H HIS 105 HN HIS 105 3.299 7.529 -6.925 795 HA HIS 105 HA HIS 105 4.035 4.664 -7.437 796 1HB HIS 105 HB2 HIS 105 3.852 7.029 -9.325 797 2HB HIS 105 HB1 HIS 105 4.394 5.415 -9.784 798 HD1 HIS 105 HD1 HIS 105 1.791 6.792 -10.944 799 HD2 HIS 105 HD2 HIS 105 1.857 4.016 -7.837 800 HE1 HIS 105 HE1 HIS 105 -0.509 5.728 -10.884 801 H LEU 106 HN LEU 106 6.230 4.217 -7.683 802 HA LEU 106 HA LEU 106 8.151 6.492 -7.370 803 1HB LEU 106 HB2 LEU 106 7.775 5.394 -5.205 804 2HB LEU 106 HB1 LEU 106 8.093 3.818 -5.927 805 HG LEU 106 HG LEU 106 10.388 4.587 -6.512 806 1HD1 LEU 106 HD11 LEU 106 9.335 7.088 -5.239 807 2HD1 LEU 106 HD12 LEU 106 10.364 6.907 -6.660 808 3HD1 LEU 106 HD13 LEU 106 11.043 6.696 -5.047 809 1HD2 LEU 106 HD21 LEU 106 11.041 3.737 -4.529 810 2HD2 LEU 106 HD22 LEU 106 9.361 3.846 -4.003 811 3HD2 LEU 106 HD23 LEU 106 10.478 5.169 -3.672 812 H GLY 107 HN GLY 107 10.305 5.965 -8.269 813 1HA GLY 107 HA2 GLY 107 10.099 4.256 -10.632 814 2HA GLY 107 HA1 GLY 107 11.506 5.214 -10.168 815 H ILE 108 HN ILE 108 11.534 2.437 -11.053 816 HA ILE 108 HA ILE 108 11.742 0.554 -8.957 817 HB ILE 108 HB ILE 108 13.270 0.835 -11.566 818 1HG1 ILE 108 HG12 ILE 108 10.802 0.957 -11.853 819 2HG1 ILE 108 HG11 ILE 108 11.453 -0.544 -12.511 820 1HG2 ILE 108 HG21 ILE 108 12.849 -1.809 -11.150 821 2HG2 ILE 108 HG22 ILE 108 13.041 -1.242 -9.492 822 3HG2 ILE 108 HG23 ILE 108 14.319 -0.959 -10.676 823 1HD1 ILE 108 HD11 ILE 108 10.968 -1.312 -9.954 824 2HD1 ILE 108 HD12 ILE 108 9.801 -1.499 -11.263 825 3HD1 ILE 108 HD13 ILE 108 9.691 -0.119 -10.171 826 H HIS 109 HN HIS 109 14.265 2.588 -10.485 827 HA HIS 109 HA HIS 109 16.262 1.767 -8.480 828 1HB HIS 109 HB2 HIS 109 17.761 3.002 -9.885 829 2HB HIS 109 HB1 HIS 109 16.619 2.224 -10.980 830 HD1 HIS 109 HD1 HIS 109 18.196 5.004 -11.466 831 HD2 HIS 109 HD2 HIS 109 14.191 4.573 -10.394 832 HE1 HIS 109 HE1 HIS 109 17.027 7.132 -12.188 833 H GLN 110 HN GLN 110 13.703 3.858 -8.409 834 HA GLN 110 HA GLN 110 15.089 6.059 -6.970 835 1HB GLN 110 HB2 GLN 110 12.242 5.536 -7.872 836 2HB GLN 110 HB1 GLN 110 12.726 6.982 -6.987 837 1HG GLN 110 HG2 GLN 110 14.573 7.112 -8.895 838 2HG GLN 110 HG1 GLN 110 13.379 6.166 -9.788 839 1HE2 GLN 110 HE21 GLN 110 11.216 7.153 -10.109 840 2HE2 GLN 110 HE22 GLN 110 11.018 8.835 -9.992 841 H LEU 111 HN LEU 111 14.658 3.174 -5.935 842 HA LEU 111 HA LEU 111 12.716 3.326 -3.820 843 1HB LEU 111 HB2 LEU 111 15.146 1.630 -4.412 844 2HB LEU 111 HB1 LEU 111 14.180 1.372 -2.964 845 HG LEU 111 HG LEU 111 13.689 0.395 -5.606 846 1HD1 LEU 111 HD11 LEU 111 13.322 -0.618 -3.281 847 2HD1 LEU 111 HD12 LEU 111 12.078 -0.938 -4.490 848 3HD1 LEU 111 HD13 LEU 111 11.809 0.287 -3.251 849 1HD2 LEU 111 HD21 LEU 111 11.557 1.194 -6.202 850 2HD2 LEU 111 HD22 LEU 111 12.396 2.668 -5.746 851 3HD2 LEU 111 HD23 LEU 111 11.277 1.911 -4.619 852 H GLU 112 HN GLU 112 12.907 5.022 -2.525 853 HA GLU 112 HA GLU 112 14.630 5.148 -0.310 854 1HB GLU 112 HB2 GLU 112 16.117 7.061 -1.103 855 2HB GLU 112 HB1 GLU 112 16.459 5.507 -1.863 856 1HG GLU 112 HG2 GLU 112 15.026 6.152 -3.781 857 2HG GLU 112 HG1 GLU 112 14.764 7.727 -3.029 858 H GLN 113 HN GLN 113 12.693 6.787 -2.717 859 HA GLN 113 HA GLN 113 12.087 9.133 -1.052 860 1HB GLN 113 HB2 GLN 113 11.158 7.977 -3.684 861 2HB GLN 113 HB1 GLN 113 10.388 9.403 -2.990 862 1HG GLN 113 HG2 GLN 113 12.551 10.566 -2.936 863 2HG GLN 113 HG1 GLN 113 13.350 9.133 -3.581 864 1HE2 GLN 113 HE21 GLN 113 13.877 9.666 -5.718 865 2HE2 GLN 113 HE22 GLN 113 12.787 10.322 -6.847 866 H LEU 114 HN LEU 114 11.151 5.938 -0.940 867 HA LEU 114 HA LEU 114 8.378 5.810 -0.705 868 1HB LEU 114 HB2 LEU 114 10.658 4.474 0.745 869 2HB LEU 114 HB1 LEU 114 8.983 3.988 1.008 870 HG LEU 114 HG LEU 114 9.245 4.159 -1.777 871 1HD1 LEU 114 HD11 LEU 114 11.744 4.197 -1.305 872 2HD1 LEU 114 HD12 LEU 114 11.194 2.878 -2.338 873 3HD1 LEU 114 HD13 LEU 114 11.560 2.572 -0.642 874 1HD2 LEU 114 HD21 LEU 114 9.574 1.605 -0.205 875 2HD2 LEU 114 HD22 LEU 114 8.676 1.869 -1.701 876 3HD2 LEU 114 HD23 LEU 114 8.052 2.496 -0.176 877 HA PRO 115 HA PRO 115 8.706 7.004 3.957 878 1HB PRO 115 HB2 PRO 115 10.754 8.720 4.614 879 2HB PRO 115 HB1 PRO 115 10.869 6.954 4.777 880 1HG PRO 115 HG2 PRO 115 11.855 8.715 2.575 881 2HG PRO 115 HG1 PRO 115 12.665 7.358 3.375 882 1HD PRO 115 HD2 PRO 115 11.516 7.072 0.983 883 2HD PRO 115 HD1 PRO 115 11.466 5.765 2.184 884 H TYR 116 HN TYR 116 10.246 9.521 1.936 885 HA TYR 116 HA TYR 116 8.464 11.604 2.823 886 1HB TYR 116 HB2 TYR 116 10.042 12.779 1.713 887 2HB TYR 116 HB1 TYR 116 10.790 11.252 1.261 888 HD1 TYR 116 HD1 TYR 116 7.895 13.408 0.243 889 HD2 TYR 116 HD2 TYR 116 11.101 10.835 -0.987 890 HE1 TYR 116 HE1 TYR 116 7.347 13.867 -2.135 891 HE2 TYR 116 HE2 TYR 116 10.556 11.290 -3.362 892 HH TYR 116 HH TYR 116 9.252 13.492 -4.563 893 H GLN 117 HN GLN 117 8.444 9.256 0.185 894 HA GLN 117 HA GLN 117 6.120 10.239 -1.209 895 1HB GLN 117 HB2 GLN 117 7.581 7.610 -0.937 896 2HB GLN 117 HB1 GLN 117 6.097 7.715 -1.884 897 1HG GLN 117 HG2 GLN 117 8.238 9.748 -2.373 898 2HG GLN 117 HG1 GLN 117 8.459 8.122 -3.022 899 1HE2 GLN 117 HE21 GLN 117 7.188 11.107 -3.826 900 2HE2 GLN 117 HE22 GLN 117 6.044 10.615 -4.979 901 H VAL 118 HN VAL 118 6.631 8.011 1.486 902 HA VAL 118 HA VAL 118 3.975 7.019 1.770 903 HB VAL 118 HB VAL 118 6.433 7.350 3.439 904 1HG1 VAL 118 HG11 VAL 118 4.932 6.020 5.220 905 2HG1 VAL 118 HG12 VAL 118 3.671 7.036 4.526 906 3HG1 VAL 118 HG13 VAL 118 5.091 7.775 5.267 907 1HG2 VAL 118 HG21 VAL 118 6.323 4.951 3.508 908 2HG2 VAL 118 HG22 VAL 118 5.933 5.427 1.856 909 3HG2 VAL 118 HG23 VAL 118 4.646 4.953 2.963 910 H ASP 119 HN ASP 119 5.545 9.737 3.568 911 HA ASP 119 HA ASP 119 3.196 10.605 4.917 912 1HB ASP 119 HB2 ASP 119 5.748 11.915 3.972 913 2HB ASP 119 HB1 ASP 119 4.515 12.858 4.815 914 H ALA 120 HN ALA 120 4.463 11.367 1.681 915 HA ALA 120 HA ALA 120 2.395 13.309 1.043 916 1HB ALA 120 HB1 ALA 120 4.676 13.098 -0.013 917 2HB ALA 120 HB2 ALA 120 3.364 13.125 -1.190 918 3HB ALA 120 HB3 ALA 120 4.137 11.597 -0.766 919 H ALA 121 HN ALA 121 2.872 9.821 0.558 920 HA ALA 121 HA ALA 121 0.567 9.343 -1.089 921 1HB ALA 121 HB1 ALA 121 2.374 7.737 -0.896 922 2HB ALA 121 HB2 ALA 121 0.949 6.983 -0.185 923 3HB ALA 121 HB3 ALA 121 2.195 7.670 0.857 924 H LEU 122 HN LEU 122 1.092 9.412 2.415 925 HA LEU 122 HA LEU 122 -1.439 8.412 3.259 926 1HB LEU 122 HB2 LEU 122 0.555 10.384 4.417 927 2HB LEU 122 HB1 LEU 122 -0.819 9.764 5.334 928 HG LEU 122 HG LEU 122 1.149 7.916 3.981 929 1HD1 LEU 122 HD11 LEU 122 1.498 9.570 6.383 930 2HD1 LEU 122 HD12 LEU 122 2.697 8.664 5.461 931 3HD1 LEU 122 HD13 LEU 122 1.724 7.847 6.687 932 1HD2 LEU 122 HD21 LEU 122 0.080 6.245 5.168 933 2HD2 LEU 122 HD22 LEU 122 -1.269 7.368 4.997 934 3HD2 LEU 122 HD23 LEU 122 -0.345 7.322 6.499 935 H ALA 123 HN ALA 123 -0.363 11.828 2.910 936 HA ALA 123 HA ALA 123 -2.892 13.012 3.452 937 1HB ALA 123 HB1 ALA 123 -0.565 14.065 3.241 938 2HB ALA 123 HB2 ALA 123 -1.884 14.981 2.513 939 3HB ALA 123 HB3 ALA 123 -0.809 14.019 1.496 940 H GLU 124 HN GLU 124 -1.443 11.898 0.390 941 HA GLU 124 HA GLU 124 -3.562 12.788 -1.321 942 1HB GLU 124 HB2 GLU 124 -1.322 12.110 -2.072 943 2HB GLU 124 HB1 GLU 124 -1.615 10.464 -1.510 944 1HG GLU 124 HG2 GLU 124 -3.155 10.018 -3.205 945 2HG GLU 124 HG1 GLU 124 -3.516 11.724 -3.461 946 H PHE 125 HN PHE 125 -2.962 9.636 0.283 947 HA PHE 125 HA PHE 125 -5.432 8.450 -0.666 948 1HB PHE 125 HB2 PHE 125 -3.676 6.981 -0.090 949 2HB PHE 125 HB1 PHE 125 -3.339 7.832 1.417 950 HD1 PHE 125 HD1 PHE 125 -5.480 5.349 -0.247 951 HD2 PHE 125 HD2 PHE 125 -4.812 7.568 3.371 952 HE1 PHE 125 HE1 PHE 125 -7.015 3.829 0.975 953 HE2 PHE 125 HE2 PHE 125 -6.346 6.048 4.590 954 HZ PHE 125 HZ PHE 125 -7.448 4.178 3.390 955 H LEU 126 HN LEU 126 -4.437 9.962 2.434 956 HA LEU 126 HA LEU 126 -6.895 9.514 3.830 957 1HB LEU 126 HB2 LEU 126 -4.749 11.652 4.014 958 2HB LEU 126 HB1 LEU 126 -6.011 11.422 5.224 959 HG LEU 126 HG LEU 126 -4.055 9.271 4.368 960 1HD1 LEU 126 HD11 LEU 126 -3.656 9.925 7.058 961 2HD1 LEU 126 HD12 LEU 126 -3.814 11.483 6.247 962 3HD1 LEU 126 HD13 LEU 126 -2.589 10.332 5.715 963 1HD2 LEU 126 HD21 LEU 126 -6.548 9.178 5.720 964 2HD2 LEU 126 HD22 LEU 126 -5.299 8.913 6.936 965 3HD2 LEU 126 HD23 LEU 126 -5.384 7.867 5.518 966 H ARG 127 HN ARG 127 -5.779 12.266 1.850 967 HA ARG 127 HA ARG 127 -8.175 13.838 2.223 968 1HB ARG 127 HB2 ARG 127 -5.839 13.816 0.313 969 2HB ARG 127 HB1 ARG 127 -7.162 14.962 0.100 970 1HG ARG 127 HG2 ARG 127 -6.829 15.642 2.520 971 2HG ARG 127 HG1 ARG 127 -5.359 14.669 2.517 972 1HD ARG 127 HD2 ARG 127 -5.854 16.843 0.462 973 2HD ARG 127 HD1 ARG 127 -5.017 17.151 1.995 974 HE ARG 127 HE ARG 127 -3.748 14.900 1.010 975 1HH1 ARG 127 HH11 ARG 127 -4.499 18.045 -0.211 976 2HH1 ARG 127 HH12 ARG 127 -3.110 18.113 -1.244 977 1HH2 ARG 127 HH21 ARG 127 -1.933 14.984 -0.329 978 2HH2 ARG 127 HH22 ARG 127 -1.659 16.384 -1.310 979 H LEU 128 HN LEU 128 -7.512 11.047 0.342 980 HA LEU 128 HA LEU 128 -9.777 11.641 -1.525 981 1HB LEU 128 HB2 LEU 128 -7.189 10.567 -1.821 982 2HB LEU 128 HB1 LEU 128 -8.281 9.207 -2.037 983 HG LEU 128 HG LEU 128 -9.519 10.429 -3.749 984 1HD1 LEU 128 HD11 LEU 128 -9.433 12.677 -3.932 985 2HD1 LEU 128 HD12 LEU 128 -7.674 12.659 -4.051 986 3HD1 LEU 128 HD13 LEU 128 -8.451 12.679 -2.468 987 1HD2 LEU 128 HD21 LEU 128 -6.947 11.088 -4.877 988 2HD2 LEU 128 HD22 LEU 128 -7.997 9.722 -5.255 989 3HD2 LEU 128 HD23 LEU 128 -6.818 9.592 -3.952 990 H ALA 129 HN ALA 129 -9.400 10.306 1.424 991 HA ALA 129 HA ALA 129 -10.779 7.752 1.045 992 1HB ALA 129 HB1 ALA 129 -9.058 8.539 2.845 993 2HB ALA 129 HB2 ALA 129 -10.402 7.517 3.357 994 3HB ALA 129 HB3 ALA 129 -10.463 9.259 3.633 995 HA PRO 130 HA PRO 130 -12.166 6.470 1.716 996 1HB PRO 130 HB2 PRO 130 -14.381 5.496 0.440 997 2HB PRO 130 HB1 PRO 130 -14.314 5.741 2.197 998 1HG PRO 130 HG2 PRO 130 -15.571 7.428 0.099 999 2HG PRO 130 HG1 PRO 130 -16.132 7.057 1.736 1000 1HD PRO 130 HD2 PRO 130 -14.926 9.409 1.026 1001 2HD PRO 130 HD1 PRO 130 -14.904 8.739 2.671 1002 H VAL 131 HN VAL 131 -10.704 6.110 0.079 1003 HA VAL 131 HA VAL 131 -10.749 7.434 -2.454 1004 HB VAL 131 HB VAL 131 -9.411 4.815 -1.740 1005 1HG1 VAL 131 HG11 VAL 131 -9.288 5.581 -4.110 1006 2HG1 VAL 131 HG12 VAL 131 -7.711 5.546 -3.319 1007 3HG1 VAL 131 HG13 VAL 131 -8.548 7.082 -3.551 1008 1HG2 VAL 131 HG21 VAL 131 -7.574 6.838 -1.302 1009 2HG2 VAL 131 HG22 VAL 131 -8.458 5.981 -0.038 1010 3HG2 VAL 131 HG23 VAL 131 -9.065 7.519 -0.650 1011 H GLU 132 HN GLU 132 -10.987 6.383 -4.570 1012 HA GLU 132 HA GLU 132 -13.255 4.445 -4.581 1013 1HB GLU 132 HB2 GLU 132 -13.375 6.667 -5.762 1014 2HB GLU 132 HB1 GLU 132 -12.058 6.129 -6.805 1015 1HG GLU 132 HG2 GLU 132 -13.470 4.141 -7.435 1016 2HG GLU 132 HG1 GLU 132 -14.800 4.872 -6.539 1017 H THR 133 HN THR 133 -12.577 2.339 -4.765 1018 HA THR 133 HA THR 133 -10.074 1.779 -6.292 1019 HB THR 133 HB THR 133 -10.697 -0.547 -5.100 1020 HG1 THR 133 HG1 THR 133 -12.316 -0.285 -3.822 1021 1HG2 THR 133 HG21 THR 133 -9.521 1.879 -3.720 1022 2HG2 THR 133 HG22 THR 133 -8.645 0.724 -4.725 1023 3HG2 THR 133 HG23 THR 133 -9.323 0.212 -3.181 1024 H MET 134 HN MET 134 -10.252 0.890 -8.284 1025 HA MET 134 HA MET 134 -12.721 0.410 -9.609 1026 1HB MET 134 HB2 MET 134 -9.923 -0.665 -10.097 1027 2HB MET 134 HB1 MET 134 -11.213 -0.620 -11.298 1028 1HG MET 134 HG2 MET 134 -11.334 1.869 -10.977 1029 2HG MET 134 HG1 MET 134 -9.921 1.759 -9.930 1030 1HE MET 134 HE1 MET 134 -11.149 -0.017 -13.061 1031 2HE MET 134 HE2 MET 134 -10.130 0.589 -14.364 1032 3HE MET 134 HE3 MET 134 -11.295 1.663 -13.592 1033 H ALA 135 HN ALA 135 -10.515 -1.772 -7.879 1034 HA ALA 135 HA ALA 135 -12.136 -4.153 -8.471 1035 1HB ALA 135 HB1 ALA 135 -9.929 -4.755 -8.238 1036 2HB ALA 135 HB2 ALA 135 -10.374 -4.878 -6.535 1037 3HB ALA 135 HB3 ALA 135 -9.580 -3.423 -7.137 Start of MODEL 24 1 1H MET 1 HT1 MET 1 -0.819 5.132 13.983 2 2H MET 1 HT2 MET 1 -0.350 5.891 12.537 3 3H MET 1 HT3 MET 1 -1.992 5.822 12.969 4 HA MET 1 HA MET 1 -1.568 7.945 13.651 5 1HB MET 1 HB2 MET 1 -0.515 6.235 15.928 6 2HB MET 1 HB1 MET 1 -1.282 7.816 16.075 7 1HG MET 1 HG2 MET 1 -3.398 6.991 15.522 8 2HG MET 1 HG1 MET 1 -2.740 5.574 14.703 9 1HE MET 1 HE1 MET 1 -3.810 3.693 15.606 10 2HE MET 1 HE2 MET 1 -5.007 4.742 16.359 11 3HE MET 1 HE3 MET 1 -4.293 3.426 17.286 12 H LEU 2 HN LEU 2 0.103 9.366 14.984 13 HA LEU 2 HA LEU 2 2.519 9.577 13.483 14 1HB LEU 2 HB2 LEU 2 1.311 11.356 14.781 15 2HB LEU 2 HB1 LEU 2 1.892 10.602 16.266 16 HG LEU 2 HG LEU 2 4.248 10.850 15.311 17 1HD1 LEU 2 HD11 LEU 2 3.011 11.422 12.985 18 2HD1 LEU 2 HD12 LEU 2 4.618 12.031 13.375 19 3HD1 LEU 2 HD13 LEU 2 3.205 13.060 13.608 20 1HD2 LEU 2 HD21 LEU 2 4.249 12.562 16.777 21 2HD2 LEU 2 HD22 LEU 2 2.504 12.736 16.597 22 3HD2 LEU 2 HD23 LEU 2 3.593 13.618 15.525 23 H SER 3 HN SER 3 1.863 8.115 16.663 24 HA SER 3 HA SER 3 4.372 7.589 17.677 25 1HB SER 3 HB2 SER 3 1.961 5.773 17.422 26 2HB SER 3 HB1 SER 3 3.324 5.426 18.481 27 HG SER 3 HG SER 3 2.913 7.417 19.523 28 H GLN 4 HN GLN 4 2.741 5.185 15.610 29 HA GLN 4 HA GLN 4 5.282 4.735 14.142 30 1HB GLN 4 HB2 GLN 4 3.761 2.746 15.838 31 2HB GLN 4 HB1 GLN 4 4.904 2.235 14.593 32 1HG GLN 4 HG2 GLN 4 6.455 4.034 15.800 33 2HG GLN 4 HG1 GLN 4 5.419 3.646 17.173 34 1HE2 GLN 4 HE21 GLN 4 8.171 2.919 17.221 35 2HE2 GLN 4 HE22 GLN 4 8.299 1.230 17.119 36 H ILE 5 HN ILE 5 4.950 3.583 12.129 37 HA ILE 5 HA ILE 5 2.117 3.703 11.150 38 HB ILE 5 HB ILE 5 4.796 4.008 9.762 39 1HG1 ILE 5 HG12 ILE 5 2.632 6.046 10.368 40 2HG1 ILE 5 HG11 ILE 5 4.150 5.893 11.254 41 1HG2 ILE 5 HG21 ILE 5 2.963 3.012 8.356 42 2HG2 ILE 5 HG22 ILE 5 3.547 4.573 7.776 43 3HG2 ILE 5 HG23 ILE 5 2.018 4.471 8.651 44 1HD1 ILE 5 HD11 ILE 5 3.922 6.438 8.280 45 2HD1 ILE 5 HD12 ILE 5 5.419 6.345 9.207 46 3HD1 ILE 5 HD13 ILE 5 4.275 7.654 9.506 47 H ALA 6 HN ALA 6 1.288 1.869 10.081 48 HA ALA 6 HA ALA 6 2.994 -0.566 10.137 49 1HB ALA 6 HB1 ALA 6 0.558 -0.195 11.095 50 2HB ALA 6 HB2 ALA 6 0.986 -1.721 10.321 51 3HB ALA 6 HB3 ALA 6 0.091 -0.496 9.421 52 H ILE 7 HN ILE 7 4.118 -0.758 8.261 53 HA ILE 7 HA ILE 7 2.699 -0.118 5.699 54 HB ILE 7 HB ILE 7 5.615 -0.055 6.527 55 1HG1 ILE 7 HG12 ILE 7 3.560 2.053 5.822 56 2HG1 ILE 7 HG11 ILE 7 4.419 1.859 7.348 57 1HG2 ILE 7 HG21 ILE 7 4.573 0.879 3.864 58 2HG2 ILE 7 HG22 ILE 7 5.029 -0.809 4.096 59 3HG2 ILE 7 HG23 ILE 7 6.225 0.468 4.326 60 1HD1 ILE 7 HD11 ILE 7 5.843 2.421 4.737 61 2HD1 ILE 7 HD12 ILE 7 6.505 2.521 6.368 62 3HD1 ILE 7 HD13 ILE 7 5.308 3.697 5.826 63 H CYS 8 HN CYS 8 2.103 -1.963 4.640 64 HA CYS 8 HA CYS 8 3.691 -4.454 5.072 65 1HB CYS 8 HB2 CYS 8 1.160 -4.267 5.408 66 2HB CYS 8 HB1 CYS 8 1.036 -4.072 3.659 67 HG CYS 8 HG CYS 8 2.658 -6.537 4.269 68 H ILE 9 HN ILE 9 5.130 -4.990 3.472 69 HA ILE 9 HA ILE 9 4.670 -3.818 0.747 70 HB ILE 9 HB ILE 9 6.660 -2.979 1.879 71 1HG1 ILE 9 HG12 ILE 9 7.297 -5.082 -0.217 72 2HG1 ILE 9 HG11 ILE 9 6.919 -3.389 -0.528 73 1HG2 ILE 9 HG21 ILE 9 7.538 -4.338 3.449 74 2HG2 ILE 9 HG22 ILE 9 8.347 -5.170 2.121 75 3HG2 ILE 9 HG23 ILE 9 6.797 -5.763 2.720 76 1HD1 ILE 9 HD11 ILE 9 9.263 -4.253 1.177 77 2HD1 ILE 9 HD12 ILE 9 8.949 -2.652 0.508 78 3HD1 ILE 9 HD13 ILE 9 9.394 -3.982 -0.561 79 H TRP 10 HN TRP 10 4.885 -5.164 -1.010 80 HA TRP 10 HA TRP 10 5.291 -8.079 -0.412 81 1HB TRP 10 HB2 TRP 10 3.002 -7.708 -1.082 82 2HB TRP 10 HB1 TRP 10 3.511 -6.690 -2.433 83 HD1 TRP 10 HD1 TRP 10 5.686 -9.669 -1.885 84 HE1 TRP 10 HE1 TRP 10 5.250 -11.444 -3.704 85 HE3 TRP 10 HE3 TRP 10 1.448 -7.745 -3.975 86 HZ2 TRP 10 HZ2 TRP 10 3.346 -11.973 -5.773 87 HZ3 TRP 10 HZ3 TRP 10 0.346 -8.902 -5.861 88 HH2 TRP 10 HH2 TRP 10 1.285 -11.012 -6.767 89 H VAL 11 HN VAL 11 7.446 -8.270 -0.964 90 HA VAL 11 HA VAL 11 8.140 -7.648 -3.797 91 HB VAL 11 HB VAL 11 8.852 -5.726 -2.587 92 1HG1 VAL 11 HG11 VAL 11 9.934 -7.657 -0.516 93 2HG1 VAL 11 HG12 VAL 11 8.504 -6.639 -0.339 94 3HG1 VAL 11 HG13 VAL 11 10.103 -5.902 -0.455 95 1HG2 VAL 11 HG21 VAL 11 11.162 -7.680 -2.762 96 2HG2 VAL 11 HG22 VAL 11 11.340 -5.936 -2.568 97 3HG2 VAL 11 HG23 VAL 11 10.612 -6.590 -4.037 98 H GLU 12 HN GLU 12 9.218 -9.354 -4.681 99 HA GLU 12 HA GLU 12 10.014 -11.610 -2.953 100 1HB GLU 12 HB2 GLU 12 9.796 -11.113 -5.932 101 2HB GLU 12 HB1 GLU 12 10.371 -12.642 -5.263 102 1HG GLU 12 HG2 GLU 12 8.271 -12.931 -4.046 103 2HG GLU 12 HG1 GLU 12 7.702 -11.359 -4.608 104 H SER 13 HN SER 13 11.495 -8.843 -4.175 105 HA SER 13 HA SER 13 14.187 -10.130 -4.363 106 1HB SER 13 HB2 SER 13 13.050 -8.501 -6.095 107 2HB SER 13 HB1 SER 13 13.537 -7.250 -4.955 108 HG SER 13 HG SER 13 15.059 -8.867 -6.613 109 H THR 14 HN THR 14 15.437 -9.988 -2.536 110 HA THR 14 HA THR 14 14.690 -8.596 -0.171 111 HB THR 14 HB THR 14 17.551 -9.180 -0.865 112 HG1 THR 14 HG1 THR 14 15.909 -11.294 -0.119 113 1HG2 THR 14 HG21 THR 14 16.211 -8.594 1.462 114 2HG2 THR 14 HG22 THR 14 17.767 -9.418 1.375 115 3HG2 THR 14 HG23 THR 14 16.278 -10.355 1.508 116 H ALA 15 HN ALA 15 16.612 -7.567 -2.965 117 HA ALA 15 HA ALA 15 17.772 -5.211 -1.789 118 1HB ALA 15 HB1 ALA 15 18.441 -6.370 -3.916 119 2HB ALA 15 HB2 ALA 15 18.212 -4.632 -4.118 120 3HB ALA 15 HB3 ALA 15 16.967 -5.756 -4.665 121 H ILE 16 HN ILE 16 14.871 -5.595 -3.877 122 HA ILE 16 HA ILE 16 13.955 -2.879 -3.691 123 HB ILE 16 HB ILE 16 12.688 -5.591 -4.175 124 1HG1 ILE 16 HG12 ILE 16 12.479 -3.475 -6.195 125 2HG1 ILE 16 HG11 ILE 16 14.147 -3.860 -5.770 126 1HG2 ILE 16 HG21 ILE 16 11.202 -2.992 -4.558 127 2HG2 ILE 16 HG22 ILE 16 11.087 -3.891 -3.047 128 3HG2 ILE 16 HG23 ILE 16 10.559 -4.634 -4.555 129 1HD1 ILE 16 HD11 ILE 16 14.016 -5.985 -6.616 130 2HD1 ILE 16 HD12 ILE 16 12.757 -5.256 -7.614 131 3HD1 ILE 16 HD13 ILE 16 12.320 -6.170 -6.170 132 H LEU 17 HN LEU 17 13.343 -5.792 -1.783 133 HA LEU 17 HA LEU 17 11.514 -4.690 0.115 134 1HB LEU 17 HB2 LEU 17 11.759 -7.050 -0.062 135 2HB LEU 17 HB1 LEU 17 13.517 -6.955 0.001 136 HG LEU 17 HG LEU 17 12.276 -7.784 2.113 137 1HD1 LEU 17 HD11 LEU 17 13.983 -5.463 2.842 138 2HD1 LEU 17 HD12 LEU 17 14.690 -6.646 1.743 139 3HD1 LEU 17 HD13 LEU 17 14.111 -7.152 3.330 140 1HD2 LEU 17 HD21 LEU 17 11.974 -4.847 2.688 141 2HD2 LEU 17 HD22 LEU 17 11.204 -6.219 3.484 142 3HD2 LEU 17 HD23 LEU 17 10.676 -5.722 1.877 143 H GLN 18 HN GLN 18 15.054 -5.216 0.305 144 HA GLN 18 HA GLN 18 15.479 -3.831 2.773 145 1HB GLN 18 HB2 GLN 18 17.084 -4.704 0.394 146 2HB GLN 18 HB1 GLN 18 17.845 -3.626 1.565 147 1HG GLN 18 HG2 GLN 18 17.637 -5.180 3.318 148 2HG GLN 18 HG1 GLN 18 16.382 -6.093 2.481 149 1HE2 GLN 18 HE21 GLN 18 19.213 -6.851 3.515 150 2HE2 GLN 18 HE22 GLN 18 19.928 -7.618 2.179 151 H ASP 19 HN ASP 19 15.608 -2.730 -0.620 152 HA ASP 19 HA ASP 19 16.500 -0.065 -0.113 153 1HB ASP 19 HB2 ASP 19 14.840 -1.395 -2.268 154 2HB ASP 19 HB1 ASP 19 15.326 0.297 -2.374 155 H CYS 20 HN CYS 20 13.227 -1.470 -0.288 156 HA CYS 20 HA CYS 20 11.808 1.013 0.107 157 1HB CYS 20 HB2 CYS 20 11.160 -1.911 0.613 158 2HB CYS 20 HB1 CYS 20 9.964 -0.620 0.717 159 HG CYS 20 HG CYS 20 9.816 -1.427 -1.720 160 H GLN 21 HN GLN 21 12.885 -1.584 2.290 161 HA GLN 21 HA GLN 21 11.874 -0.477 4.738 162 1HB GLN 21 HB2 GLN 21 14.178 -2.319 4.057 163 2HB GLN 21 HB1 GLN 21 13.587 -2.042 5.699 164 1HG GLN 21 HG2 GLN 21 11.338 -2.775 5.003 165 2HG GLN 21 HG1 GLN 21 11.952 -3.098 3.385 166 1HE2 GLN 21 HE21 GLN 21 10.859 -4.987 5.426 167 2HE2 GLN 21 HE22 GLN 21 12.071 -6.150 5.656 168 H ARG 22 HN ARG 22 15.070 -0.335 3.156 169 HA ARG 22 HA ARG 22 16.550 1.148 4.999 170 1HB ARG 22 HB2 ARG 22 16.317 0.983 2.012 171 2HB ARG 22 HB1 ARG 22 17.447 2.139 2.721 172 1HG ARG 22 HG2 ARG 22 18.626 0.388 3.890 173 2HG ARG 22 HG1 ARG 22 17.391 -0.797 3.466 174 1HD ARG 22 HD2 ARG 22 18.010 -0.729 1.135 175 2HD ARG 22 HD1 ARG 22 19.083 0.660 1.406 176 HE ARG 22 HE ARG 22 20.058 -1.179 3.190 177 1HH1 ARG 22 HH11 ARG 22 19.215 -1.314 -0.158 178 2HH1 ARG 22 HH12 ARG 22 20.395 -2.522 -0.537 179 1HH2 ARG 22 HH21 ARG 22 21.600 -2.751 2.705 180 2HH2 ARG 22 HH22 ARG 22 21.743 -3.336 1.081 181 H ALA 23 HN ALA 23 14.450 2.407 2.404 182 HA ALA 23 HA ALA 23 14.634 5.164 3.264 183 1HB ALA 23 HB1 ALA 23 13.988 3.962 0.990 184 2HB ALA 23 HB2 ALA 23 13.259 5.513 1.403 185 3HB ALA 23 HB3 ALA 23 12.363 4.017 1.670 186 H LEU 24 HN LEU 24 11.980 2.720 3.473 187 HA LEU 24 HA LEU 24 10.507 4.382 5.404 188 1HB LEU 24 HB2 LEU 24 10.149 1.537 4.405 189 2HB LEU 24 HB1 LEU 24 8.946 2.466 5.299 190 HG LEU 24 HG LEU 24 10.113 3.220 2.610 191 1HD1 LEU 24 HD11 LEU 24 7.683 1.770 3.485 192 2HD1 LEU 24 HD12 LEU 24 8.583 1.660 1.974 193 3HD1 LEU 24 HD13 LEU 24 7.452 2.987 2.230 194 1HD2 LEU 24 HD21 LEU 24 8.156 4.902 2.768 195 2HD2 LEU 24 HD22 LEU 24 9.607 5.246 3.710 196 3HD2 LEU 24 HD23 LEU 24 8.183 4.564 4.497 197 H SER 25 HN SER 25 12.948 4.014 6.514 198 HA SER 25 HA SER 25 12.724 1.721 8.414 199 1HB SER 25 HB2 SER 25 15.168 2.281 8.771 200 2HB SER 25 HB1 SER 25 14.768 1.787 7.129 201 HG SER 25 HG SER 25 15.855 3.615 6.799 202 H ALA 26 HN ALA 26 11.960 4.936 8.217 203 HA ALA 26 HA ALA 26 12.778 6.470 10.275 204 1HB ALA 26 HB1 ALA 26 10.679 7.445 10.112 205 2HB ALA 26 HB2 ALA 26 9.841 5.897 10.215 206 3HB ALA 26 HB3 ALA 26 10.598 6.388 8.701 207 H ASP 27 HN ASP 27 12.435 6.609 12.567 208 HA ASP 27 HA ASP 27 12.540 4.151 14.026 209 1HB ASP 27 HB2 ASP 27 12.521 5.645 15.953 210 2HB ASP 27 HB1 ASP 27 13.471 6.392 14.667 211 H ARG 28 HN ARG 28 9.850 5.753 12.674 212 HA ARG 28 HA ARG 28 8.006 4.464 14.654 213 1HB ARG 28 HB2 ARG 28 6.440 6.223 13.998 214 2HB ARG 28 HB1 ARG 28 7.985 6.949 14.436 215 1HG ARG 28 HG2 ARG 28 8.611 7.117 12.076 216 2HG ARG 28 HG1 ARG 28 7.110 6.318 11.603 217 1HD ARG 28 HD2 ARG 28 5.877 8.218 11.881 218 2HD ARG 28 HD1 ARG 28 6.734 8.660 13.368 219 HE ARG 28 HE ARG 28 7.484 9.471 10.656 220 1HH1 ARG 28 HH11 ARG 28 8.521 8.828 13.888 221 2HH1 ARG 28 HH12 ARG 28 9.881 9.893 13.803 222 1HH2 ARG 28 HH21 ARG 28 9.247 10.873 10.534 223 2HH2 ARG 28 HH22 ARG 28 10.294 11.052 11.901 224 H TYR 29 HN TYR 29 9.265 3.203 12.150 225 HA TYR 29 HA TYR 29 6.792 2.783 10.534 226 1HB TYR 29 HB2 TYR 29 9.724 2.772 10.094 227 2HB TYR 29 HB1 TYR 29 8.798 1.595 9.172 228 HD1 TYR 29 HD1 TYR 29 6.235 3.057 8.788 229 HD2 TYR 29 HD2 TYR 29 10.287 4.388 8.504 230 HE1 TYR 29 HE1 TYR 29 5.535 4.861 7.252 231 HE2 TYR 29 HE2 TYR 29 9.608 6.194 6.967 232 HH TYR 29 HH TYR 29 6.459 7.168 6.576 233 H GLN 30 HN GLN 30 5.830 0.807 10.497 234 HA GLN 30 HA GLN 30 7.166 -1.435 11.981 235 1HB GLN 30 HB2 GLN 30 4.974 -0.453 12.812 236 2HB GLN 30 HB1 GLN 30 4.237 -1.015 11.315 237 1HG GLN 30 HG2 GLN 30 4.937 -3.327 11.847 238 2HG GLN 30 HG1 GLN 30 5.620 -2.755 13.368 239 1HE2 GLN 30 HE21 GLN 30 3.238 -0.734 13.460 240 2HE2 GLN 30 HE22 GLN 30 1.957 -1.676 14.053 241 H LEU 31 HN LEU 31 8.365 -1.912 10.000 242 HA LEU 31 HA LEU 31 7.113 -2.402 7.467 243 1HB LEU 31 HB2 LEU 31 9.744 -3.020 8.785 244 2HB LEU 31 HB1 LEU 31 9.398 -3.639 7.173 245 HG LEU 31 HG LEU 31 10.596 -1.346 7.368 246 1HD1 LEU 31 HD11 LEU 31 9.014 -2.484 5.450 247 2HD1 LEU 31 HD12 LEU 31 9.918 -0.984 5.239 248 3HD1 LEU 31 HD13 LEU 31 8.215 -0.931 5.690 249 1HD2 LEU 31 HD21 LEU 31 8.938 0.553 7.488 250 2HD2 LEU 31 HD22 LEU 31 9.187 -0.284 9.019 251 3HD2 LEU 31 HD23 LEU 31 7.740 -0.604 8.064 252 H GLN 32 HN GLN 32 6.278 -4.204 6.589 253 HA GLN 32 HA GLN 32 6.564 -6.825 7.995 254 1HB GLN 32 HB2 GLN 32 4.228 -5.170 7.751 255 2HB GLN 32 HB1 GLN 32 3.989 -6.597 6.743 256 1HG GLN 32 HG2 GLN 32 4.521 -6.471 9.713 257 2HG GLN 32 HG1 GLN 32 3.180 -7.247 8.872 258 1HE2 GLN 32 HE21 GLN 32 4.717 -8.621 6.844 259 2HE2 GLN 32 HE22 GLN 32 5.636 -9.823 7.613 260 H VAL 33 HN VAL 33 7.403 -8.253 6.480 261 HA VAL 33 HA VAL 33 7.119 -7.505 3.604 262 HB VAL 33 HB VAL 33 8.997 -9.455 4.957 263 1HG1 VAL 33 HG11 VAL 33 9.670 -9.876 2.853 264 2HG1 VAL 33 HG12 VAL 33 10.070 -8.170 2.652 265 3HG1 VAL 33 HG13 VAL 33 8.460 -8.755 2.229 266 1HG2 VAL 33 HG21 VAL 33 9.353 -7.289 5.960 267 2HG2 VAL 33 HG22 VAL 33 9.241 -6.486 4.393 268 3HG2 VAL 33 HG23 VAL 33 10.625 -7.518 4.759 269 H CYS 34 HN CYS 34 5.936 -8.738 2.254 270 HA CYS 34 HA CYS 34 4.939 -11.392 3.222 271 1HB CYS 34 HB2 CYS 34 3.884 -9.602 1.011 272 2HB CYS 34 HB1 CYS 34 3.045 -10.948 1.783 273 HG CYS 34 HG CYS 34 2.646 -9.540 3.861 274 H GLU 35 HN GLU 35 5.930 -13.116 2.246 275 HA GLU 35 HA GLU 35 7.765 -12.868 0.056 276 1HB GLU 35 HB2 GLU 35 6.326 -15.181 1.369 277 2HB GLU 35 HB1 GLU 35 7.583 -15.400 0.152 278 1HG GLU 35 HG2 GLU 35 9.166 -14.129 1.554 279 2HG GLU 35 HG1 GLU 35 7.912 -13.914 2.775 280 H SER 36 HN SER 36 4.291 -13.476 0.140 281 HA SER 36 HA SER 36 4.380 -13.786 -2.849 282 1HB SER 36 HB2 SER 36 2.390 -15.089 -0.984 283 2HB SER 36 HB1 SER 36 2.707 -15.479 -2.672 284 HG SER 36 HG SER 36 4.521 -15.767 -0.502 285 H GLY 37 HN GLY 37 1.668 -13.713 -3.361 286 1HA GLY 37 HA2 GLY 37 0.981 -10.926 -2.555 287 2HA GLY 37 HA1 GLY 37 0.351 -11.760 -3.984 288 H GLU 38 HN GLU 38 0.058 -14.249 -2.420 289 HA GLU 38 HA GLU 38 -2.665 -13.885 -1.498 290 1HB GLU 38 HB2 GLU 38 -0.576 -16.064 -1.610 291 2HB GLU 38 HB1 GLU 38 -2.104 -16.341 -0.801 292 1HG GLU 38 HG2 GLU 38 -3.309 -15.686 -2.879 293 2HG GLU 38 HG1 GLU 38 -1.752 -15.494 -3.683 294 H MET 39 HN MET 39 0.527 -14.326 -0.058 295 HA MET 39 HA MET 39 -0.203 -14.551 2.680 296 1HB MET 39 HB2 MET 39 2.194 -13.336 1.261 297 2HB MET 39 HB1 MET 39 2.163 -13.725 2.977 298 1HG MET 39 HG2 MET 39 1.747 -15.704 0.719 299 2HG MET 39 HG1 MET 39 3.216 -15.544 1.682 300 1HE MET 39 HE1 MET 39 3.082 -16.658 4.683 301 2HE MET 39 HE2 MET 39 1.709 -15.664 5.163 302 3HE MET 39 HE3 MET 39 2.918 -15.012 4.059 303 H LEU 40 HN LEU 40 0.371 -11.773 0.575 304 HA LEU 40 HA LEU 40 0.218 -9.678 2.498 305 1HB LEU 40 HB2 LEU 40 1.049 -9.299 0.280 306 2HB LEU 40 HB1 LEU 40 -0.418 -9.945 -0.452 307 HG LEU 40 HG LEU 40 -1.712 -8.052 0.285 308 1HD1 LEU 40 HD11 LEU 40 -0.066 -6.209 1.433 309 2HD1 LEU 40 HD12 LEU 40 0.601 -7.703 2.091 310 3HD1 LEU 40 HD13 LEU 40 -1.097 -7.308 2.347 311 1HD2 LEU 40 HD21 LEU 40 0.545 -6.391 -0.471 312 2HD2 LEU 40 HD22 LEU 40 -0.909 -6.773 -1.393 313 3HD2 LEU 40 HD23 LEU 40 0.486 -7.850 -1.462 314 H LEU 41 HN LEU 41 -2.299 -11.417 0.687 315 HA LEU 41 HA LEU 41 -4.521 -9.768 1.376 316 1HB LEU 41 HB2 LEU 41 -4.342 -12.770 0.940 317 2HB LEU 41 HB1 LEU 41 -5.798 -11.787 0.778 318 HG LEU 41 HG LEU 41 -3.276 -11.468 -0.868 319 1HD1 LEU 41 HD11 LEU 41 -4.738 -12.233 -2.725 320 2HD1 LEU 41 HD12 LEU 41 -6.024 -12.539 -1.557 321 3HD1 LEU 41 HD13 LEU 41 -4.529 -13.472 -1.489 322 1HD2 LEU 41 HD21 LEU 41 -4.296 -9.325 -0.634 323 2HD2 LEU 41 HD22 LEU 41 -5.915 -10.006 -0.789 324 3HD2 LEU 41 HD23 LEU 41 -4.846 -9.944 -2.191 325 H GLU 42 HN GLU 42 -3.160 -12.663 3.003 326 HA GLU 42 HA GLU 42 -5.046 -12.825 5.125 327 1HB GLU 42 HB2 GLU 42 -3.190 -14.432 4.470 328 2HB GLU 42 HB1 GLU 42 -2.061 -13.338 5.273 329 1HG GLU 42 HG2 GLU 42 -3.473 -13.548 7.356 330 2HG GLU 42 HG1 GLU 42 -4.388 -14.812 6.535 331 H TYR 43 HN TYR 43 -1.982 -10.992 4.937 332 HA TYR 43 HA TYR 43 -2.148 -9.849 7.563 333 1HB TYR 43 HB2 TYR 43 -0.082 -9.891 6.337 334 2HB TYR 43 HB1 TYR 43 -0.809 -9.041 4.971 335 HD1 TYR 43 HD1 TYR 43 0.488 -8.714 8.395 336 HD2 TYR 43 HD2 TYR 43 -1.312 -6.653 5.086 337 HE1 TYR 43 HE1 TYR 43 1.051 -6.540 9.444 338 HE2 TYR 43 HE2 TYR 43 -0.746 -4.477 6.131 339 HH TYR 43 HH TYR 43 0.794 -4.326 9.339 340 H ALA 44 HN ALA 44 -3.174 -8.631 4.369 341 HA ALA 44 HA ALA 44 -4.272 -6.161 5.503 342 1HB ALA 44 HB1 ALA 44 -4.948 -7.108 2.761 343 2HB ALA 44 HB2 ALA 44 -3.234 -6.881 3.114 344 3HB ALA 44 HB3 ALA 44 -4.357 -5.532 3.288 345 H GLN 45 HN GLN 45 -5.407 -9.370 5.080 346 HA GLN 45 HA GLN 45 -8.215 -8.736 4.612 347 1HB GLN 45 HB2 GLN 45 -6.501 -11.115 5.208 348 2HB GLN 45 HB1 GLN 45 -8.241 -11.271 5.453 349 1HG GLN 45 HG2 GLN 45 -8.713 -10.740 3.194 350 2HG GLN 45 HG1 GLN 45 -7.078 -10.142 2.913 351 1HE2 GLN 45 HE21 GLN 45 -8.499 -12.347 1.459 352 2HE2 GLN 45 HE22 GLN 45 -7.529 -13.725 1.651 353 H THR 46 HN THR 46 -6.257 -8.478 7.379 354 HA THR 46 HA THR 46 -8.704 -8.636 9.108 355 HB THR 46 HB THR 46 -7.522 -9.980 10.662 356 HG1 THR 46 HG1 THR 46 -5.102 -9.840 9.302 357 1HG2 THR 46 HG21 THR 46 -7.063 -11.900 9.400 358 2HG2 THR 46 HG22 THR 46 -6.278 -10.984 8.113 359 3HG2 THR 46 HG23 THR 46 -8.034 -10.954 8.270 360 H HIS 47 HN HIS 47 -5.880 -6.881 8.219 361 HA HIS 47 HA HIS 47 -6.307 -5.030 10.544 362 1HB HIS 47 HB2 HIS 47 -3.820 -6.031 9.144 363 2HB HIS 47 HB1 HIS 47 -3.791 -4.584 10.147 364 HD1 HIS 47 HD1 HIS 47 -2.173 -7.019 11.053 365 HD2 HIS 47 HD2 HIS 47 -6.119 -6.344 12.219 366 HE1 HIS 47 HE1 HIS 47 -2.518 -8.317 13.201 367 H ARG 48 HN ARG 48 -7.495 -5.009 7.820 368 HA ARG 48 HA ARG 48 -6.357 -3.342 5.908 369 1HB ARG 48 HB2 ARG 48 -9.157 -2.673 6.684 370 2HB ARG 48 HB1 ARG 48 -8.500 -3.059 5.099 371 1HG ARG 48 HG2 ARG 48 -8.238 -5.460 6.035 372 2HG ARG 48 HG1 ARG 48 -9.354 -4.934 7.292 373 1HD ARG 48 HD2 ARG 48 -10.782 -4.063 5.241 374 2HD ARG 48 HD1 ARG 48 -9.858 -5.292 4.357 375 HE ARG 48 HE ARG 48 -10.660 -6.561 6.708 376 1HH1 ARG 48 HH11 ARG 48 -12.154 -4.916 4.064 377 2HH1 ARG 48 HH12 ARG 48 -13.615 -5.843 4.146 378 1HH2 ARG 48 HH21 ARG 48 -12.562 -7.772 6.825 379 2HH2 ARG 48 HH22 ARG 48 -13.845 -7.456 5.705 380 H ASP 49 HN ASP 49 -8.354 -2.176 8.615 381 HA ASP 49 HA ASP 49 -7.827 0.610 8.187 382 1HB ASP 49 HB2 ASP 49 -8.713 -1.045 10.562 383 2HB ASP 49 HB1 ASP 49 -8.661 0.717 10.602 384 H GLN 50 HN GLN 50 -6.170 -1.840 10.146 385 HA GLN 50 HA GLN 50 -4.439 -0.034 11.568 386 1HB GLN 50 HB2 GLN 50 -4.263 -2.951 10.788 387 2HB GLN 50 HB1 GLN 50 -3.151 -2.179 11.914 388 1HG GLN 50 HG2 GLN 50 -5.031 -1.574 13.377 389 2HG GLN 50 HG1 GLN 50 -6.161 -2.316 12.242 390 1HE2 GLN 50 HE21 GLN 50 -6.433 -3.524 14.573 391 2HE2 GLN 50 HE22 GLN 50 -5.564 -4.977 14.692 392 H ILE 51 HN ILE 51 -4.168 -1.673 8.415 393 HA ILE 51 HA ILE 51 -1.394 -1.159 7.969 394 HB ILE 51 HB ILE 51 -3.657 -1.255 5.944 395 1HG1 ILE 51 HG12 ILE 51 -4.019 -3.324 6.854 396 2HG1 ILE 51 HG11 ILE 51 -2.588 -3.761 5.934 397 1HG2 ILE 51 HG21 ILE 51 -0.715 -1.966 5.743 398 2HG2 ILE 51 HG22 ILE 51 -1.476 -0.533 5.052 399 3HG2 ILE 51 HG23 ILE 51 -1.903 -2.133 4.450 400 1HD1 ILE 51 HD11 ILE 51 -2.084 -4.565 8.085 401 2HD1 ILE 51 HD12 ILE 51 -2.819 -3.175 8.880 402 3HD1 ILE 51 HD13 ILE 51 -1.271 -3.001 8.054 403 H ASP 52 HN ASP 52 -0.381 0.750 7.708 404 HA ASP 52 HA ASP 52 -1.979 3.208 7.305 405 1HB ASP 52 HB2 ASP 52 0.785 2.450 8.201 406 2HB ASP 52 HB1 ASP 52 0.451 4.114 7.727 407 H CYS 53 HN CYS 53 0.589 1.348 5.687 408 HA CYS 53 HA CYS 53 -0.028 2.752 3.146 409 1HB CYS 53 HB2 CYS 53 1.720 4.024 4.542 410 2HB CYS 53 HB1 CYS 53 2.785 2.648 4.271 411 HG CYS 53 HG CYS 53 2.499 3.127 1.646 412 H LEU 54 HN LEU 54 0.280 1.326 1.390 413 HA LEU 54 HA LEU 54 1.588 -1.299 2.083 414 1HB LEU 54 HB2 LEU 54 -0.768 -1.467 1.519 415 2HB LEU 54 HB1 LEU 54 -0.528 -0.504 0.061 416 HG LEU 54 HG LEU 54 1.205 -2.360 -0.574 417 1HD1 LEU 54 HD11 LEU 54 0.874 -4.506 0.387 418 2HD1 LEU 54 HD12 LEU 54 -0.612 -4.003 1.193 419 3HD1 LEU 54 HD13 LEU 54 0.946 -3.404 1.760 420 1HD2 LEU 54 HD21 LEU 54 -1.800 -2.590 -0.638 421 2HD2 LEU 54 HD22 LEU 54 -0.776 -3.797 -1.417 422 3HD2 LEU 54 HD23 LEU 54 -0.705 -2.112 -1.933 423 H ILE 55 HN ILE 55 3.321 -1.990 0.825 424 HA ILE 55 HA ILE 55 4.226 -0.130 -1.344 425 HB ILE 55 HB ILE 55 5.641 -2.347 0.166 426 1HG1 ILE 55 HG12 ILE 55 5.967 0.643 0.495 427 2HG1 ILE 55 HG11 ILE 55 4.960 -0.350 1.555 428 1HG2 ILE 55 HG21 ILE 55 6.627 -1.921 -2.031 429 2HG2 ILE 55 HG22 ILE 55 7.688 -1.277 -0.776 430 3HG2 ILE 55 HG23 ILE 55 6.656 -0.188 -1.706 431 1HD1 ILE 55 HD11 ILE 55 6.754 -1.248 2.610 432 2HD1 ILE 55 HD12 ILE 55 7.662 0.090 1.912 433 3HD1 ILE 55 HD13 ILE 55 7.633 -1.472 1.098 434 H LEU 56 HN LEU 56 4.087 -0.900 -3.459 435 HA LEU 56 HA LEU 56 3.807 -3.863 -3.796 436 1HB LEU 56 HB2 LEU 56 2.194 -1.580 -4.931 437 2HB LEU 56 HB1 LEU 56 2.182 -3.185 -5.660 438 HG LEU 56 HG LEU 56 1.422 -2.498 -2.810 439 1HD1 LEU 56 HD11 LEU 56 -0.024 -2.763 -5.323 440 2HD1 LEU 56 HD12 LEU 56 -0.593 -2.162 -3.768 441 3HD1 LEU 56 HD13 LEU 56 -0.622 -3.891 -4.110 442 1HD2 LEU 56 HD21 LEU 56 2.303 -4.619 -2.516 443 2HD2 LEU 56 HD22 LEU 56 2.059 -5.065 -4.205 444 3HD2 LEU 56 HD23 LEU 56 0.695 -5.070 -3.087 445 H VAL 57 HN VAL 57 4.744 -4.718 -5.640 446 HA VAL 57 HA VAL 57 6.376 -2.824 -7.305 447 HB VAL 57 HB VAL 57 6.901 -5.594 -6.195 448 1HG1 VAL 57 HG11 VAL 57 9.100 -5.250 -7.614 449 2HG1 VAL 57 HG12 VAL 57 8.056 -4.238 -8.613 450 3HG1 VAL 57 HG13 VAL 57 7.665 -5.941 -8.371 451 1HG2 VAL 57 HG21 VAL 57 8.104 -4.366 -4.727 452 2HG2 VAL 57 HG22 VAL 57 7.763 -2.886 -5.626 453 3HG2 VAL 57 HG23 VAL 57 9.149 -3.885 -6.064 454 H ALA 58 HN ALA 58 5.353 -2.711 -9.281 455 HA ALA 58 HA ALA 58 3.399 -4.503 -10.265 456 1HB ALA 58 HB1 ALA 58 3.460 -3.125 -12.126 457 2HB ALA 58 HB2 ALA 58 5.221 -3.019 -12.116 458 3HB ALA 58 HB3 ALA 58 4.274 -2.098 -10.947 459 H ALA 59 HN ALA 59 6.895 -4.741 -10.378 460 HA ALA 59 HA ALA 59 7.192 -6.560 -12.562 461 1HB ALA 59 HB1 ALA 59 8.874 -5.216 -11.045 462 2HB ALA 59 HB2 ALA 59 9.379 -6.757 -11.736 463 3HB ALA 59 HB3 ALA 59 8.853 -6.674 -10.055 464 H ASN 60 HN ASN 60 5.702 -7.007 -9.498 465 HA ASN 60 HA ASN 60 6.312 -9.846 -9.186 466 1HB ASN 60 HB2 ASN 60 4.281 -7.948 -7.977 467 2HB ASN 60 HB1 ASN 60 4.530 -9.603 -7.417 468 1HD2 ASN 60 HD21 ASN 60 5.045 -7.788 -5.481 469 2HD2 ASN 60 HD22 ASN 60 6.709 -7.525 -5.276 470 HA PRO 61 HA PRO 61 3.222 -11.410 -11.924 471 1HB PRO 61 HB2 PRO 61 2.942 -13.904 -10.834 472 2HB PRO 61 HB1 PRO 61 4.342 -13.432 -11.820 473 1HG PRO 61 HG2 PRO 61 4.083 -13.596 -8.856 474 2HG PRO 61 HG1 PRO 61 5.423 -14.075 -9.905 475 1HD PRO 61 HD2 PRO 61 5.427 -11.762 -8.488 476 2HD PRO 61 HD1 PRO 61 6.255 -11.935 -10.052 477 H SER 62 HN SER 62 0.983 -12.327 -11.778 478 HA SER 62 HA SER 62 -1.225 -11.840 -11.004 479 1HB SER 62 HB2 SER 62 -1.461 -13.116 -8.761 480 2HB SER 62 HB1 SER 62 -0.890 -14.023 -10.157 481 HG SER 62 HG SER 62 1.075 -14.107 -9.311 482 H PHE 63 HN PHE 63 0.739 -9.683 -10.400 483 HA PHE 63 HA PHE 63 0.324 -8.773 -7.684 484 1HB PHE 63 HB2 PHE 63 2.254 -8.051 -8.884 485 2HB PHE 63 HB1 PHE 63 1.290 -7.554 -10.276 486 HD1 PHE 63 HD1 PHE 63 0.967 -6.941 -6.590 487 HD2 PHE 63 HD2 PHE 63 1.353 -5.236 -10.511 488 HE1 PHE 63 HE1 PHE 63 0.721 -4.680 -5.631 489 HE2 PHE 63 HE2 PHE 63 1.107 -2.972 -9.554 490 HZ PHE 63 HZ PHE 63 0.789 -2.686 -7.108 491 H ARG 64 HN ARG 64 -0.834 -7.385 -10.776 492 HA ARG 64 HA ARG 64 -2.722 -5.584 -9.775 493 1HB ARG 64 HB2 ARG 64 -2.387 -7.244 -12.236 494 2HB ARG 64 HB1 ARG 64 -3.961 -6.483 -12.000 495 1HG ARG 64 HG2 ARG 64 -2.749 -4.843 -13.177 496 2HG ARG 64 HG1 ARG 64 -2.595 -4.329 -11.497 497 1HD ARG 64 HD2 ARG 64 -0.375 -4.220 -12.347 498 2HD ARG 64 HD1 ARG 64 -0.423 -5.766 -11.480 499 HE ARG 64 HE ARG 64 -1.326 -6.190 -14.158 500 1HH1 ARG 64 HH11 ARG 64 1.508 -5.405 -12.346 501 2HH1 ARG 64 HH12 ARG 64 2.591 -6.149 -13.474 502 1HH2 ARG 64 HH21 ARG 64 0.075 -7.163 -15.631 503 2HH2 ARG 64 HH22 ARG 64 1.781 -7.143 -15.331 504 H ALA 65 HN ALA 65 -3.003 -9.071 -10.288 505 HA ALA 65 HA ALA 65 -5.779 -9.357 -9.613 506 1HB ALA 65 HB1 ALA 65 -3.410 -10.973 -10.113 507 2HB ALA 65 HB2 ALA 65 -5.103 -11.383 -10.384 508 3HB ALA 65 HB3 ALA 65 -4.371 -11.661 -8.804 509 H VAL 66 HN VAL 66 -2.812 -9.727 -7.649 510 HA VAL 66 HA VAL 66 -4.072 -10.251 -5.146 511 HB VAL 66 HB VAL 66 -1.478 -8.908 -5.954 512 1HG1 VAL 66 HG11 VAL 66 -2.632 -8.941 -3.394 513 2HG1 VAL 66 HG12 VAL 66 -0.946 -8.603 -3.785 514 3HG1 VAL 66 HG13 VAL 66 -1.443 -10.244 -3.375 515 1HG2 VAL 66 HG21 VAL 66 -2.203 -11.411 -6.503 516 2HG2 VAL 66 HG22 VAL 66 -1.707 -11.674 -4.832 517 3HG2 VAL 66 HG23 VAL 66 -0.555 -11.032 -6.002 518 H VAL 67 HN VAL 67 -3.133 -7.179 -6.715 519 HA VAL 67 HA VAL 67 -3.853 -5.458 -4.537 520 HB VAL 67 HB VAL 67 -3.941 -4.949 -7.533 521 1HG1 VAL 67 HG11 VAL 67 -4.765 -2.975 -6.742 522 2HG1 VAL 67 HG12 VAL 67 -3.082 -2.657 -6.321 523 3HG1 VAL 67 HG13 VAL 67 -4.193 -3.282 -5.102 524 1HG2 VAL 67 HG21 VAL 67 -1.619 -4.356 -7.388 525 2HG2 VAL 67 HG22 VAL 67 -1.769 -5.928 -6.605 526 3HG2 VAL 67 HG23 VAL 67 -1.633 -4.466 -5.630 527 H GLN 68 HN GLN 68 -5.695 -6.834 -7.258 528 HA GLN 68 HA GLN 68 -8.102 -5.356 -6.850 529 1HB GLN 68 HB2 GLN 68 -8.821 -6.695 -8.571 530 2HB GLN 68 HB1 GLN 68 -7.131 -7.172 -8.647 531 1HG GLN 68 HG2 GLN 68 -7.824 -8.966 -6.870 532 2HG GLN 68 HG1 GLN 68 -9.457 -8.647 -7.448 533 1HE2 GLN 68 HE21 GLN 68 -8.499 -8.041 -10.233 534 2HE2 GLN 68 HE22 GLN 68 -8.098 -9.545 -10.910 535 H GLN 69 HN GLN 69 -6.773 -8.248 -5.312 536 HA GLN 69 HA GLN 69 -9.095 -9.090 -3.874 537 1HB GLN 69 HB2 GLN 69 -6.310 -9.653 -4.052 538 2HB GLN 69 HB1 GLN 69 -6.674 -9.370 -2.353 539 1HG GLN 69 HG2 GLN 69 -8.206 -11.263 -4.146 540 2HG GLN 69 HG1 GLN 69 -6.969 -11.753 -2.990 541 1HE2 GLN 69 HE21 GLN 69 -7.495 -11.669 -0.714 542 2HE2 GLN 69 HE22 GLN 69 -9.082 -11.418 -0.168 543 H LEU 70 HN LEU 70 -6.407 -6.904 -2.930 544 HA LEU 70 HA LEU 70 -7.375 -6.106 -0.386 545 1HB LEU 70 HB2 LEU 70 -5.765 -4.826 -2.598 546 2HB LEU 70 HB1 LEU 70 -6.140 -3.911 -1.140 547 HG LEU 70 HG LEU 70 -5.143 -6.616 -0.585 548 1HD1 LEU 70 HD11 LEU 70 -2.732 -5.634 -1.074 549 2HD1 LEU 70 HD12 LEU 70 -3.596 -4.698 -2.294 550 3HD1 LEU 70 HD13 LEU 70 -3.631 -6.461 -2.348 551 1HD2 LEU 70 HD21 LEU 70 -5.082 -3.897 0.474 552 2HD2 LEU 70 HD22 LEU 70 -3.497 -4.666 0.557 553 3HD2 LEU 70 HD23 LEU 70 -4.890 -5.429 1.327 554 H CYS 71 HN CYS 71 -7.856 -4.578 -3.569 555 HA CYS 71 HA CYS 71 -9.760 -2.604 -2.765 556 1HB CYS 71 HB2 CYS 71 -9.275 -4.069 -5.382 557 2HB CYS 71 HB1 CYS 71 -10.220 -2.589 -5.231 558 HG CYS 71 HG CYS 71 -7.960 -1.451 -4.286 559 H PHE 72 HN PHE 72 -10.091 -5.987 -3.739 560 HA PHE 72 HA PHE 72 -12.886 -6.093 -4.208 561 1HB PHE 72 HB2 PHE 72 -11.117 -7.820 -4.681 562 2HB PHE 72 HB1 PHE 72 -11.103 -8.202 -2.958 563 HD1 PHE 72 HD1 PHE 72 -12.657 -8.879 -6.094 564 HD2 PHE 72 HD2 PHE 72 -13.393 -8.757 -1.867 565 HE1 PHE 72 HE1 PHE 72 -14.655 -10.321 -6.401 566 HE2 PHE 72 HE2 PHE 72 -15.388 -10.199 -2.169 567 HZ PHE 72 HZ PHE 72 -16.021 -10.979 -4.437 568 H GLU 73 HN GLU 73 -11.112 -6.790 -1.163 569 HA GLU 73 HA GLU 73 -13.587 -7.120 0.352 570 1HB GLU 73 HB2 GLU 73 -10.722 -6.717 1.269 571 2HB GLU 73 HB1 GLU 73 -12.032 -7.450 2.199 572 1HG GLU 73 HG2 GLU 73 -12.218 -9.237 0.499 573 2HG GLU 73 HG1 GLU 73 -10.870 -8.521 -0.386 574 H GLY 74 HN GLY 74 -11.531 -4.460 -0.496 575 1HA GLY 74 HA2 GLY 74 -12.484 -2.187 -0.198 576 2HA GLY 74 HA1 GLY 74 -13.090 -2.724 1.371 577 H VAL 75 HN VAL 75 -10.053 -4.077 0.873 578 HA VAL 75 HA VAL 75 -8.835 -2.465 2.945 579 HB VAL 75 HB VAL 75 -7.462 -4.235 0.904 580 1HG1 VAL 75 HG11 VAL 75 -6.139 -4.796 3.039 581 2HG1 VAL 75 HG12 VAL 75 -6.930 -3.388 3.752 582 3HG1 VAL 75 HG13 VAL 75 -5.888 -3.194 2.340 583 1HG2 VAL 75 HG21 VAL 75 -9.657 -5.013 2.451 584 2HG2 VAL 75 HG22 VAL 75 -8.266 -5.543 3.392 585 3HG2 VAL 75 HG23 VAL 75 -8.465 -6.091 1.727 586 H VAL 76 HN VAL 76 -8.973 -0.252 2.093 587 HA VAL 76 HA VAL 76 -7.229 0.260 -0.289 588 HB VAL 76 HB VAL 76 -9.177 2.206 0.945 589 1HG1 VAL 76 HG11 VAL 76 -9.171 2.188 -1.891 590 2HG1 VAL 76 HG12 VAL 76 -7.486 2.074 -1.384 591 3HG1 VAL 76 HG13 VAL 76 -8.488 3.414 -0.825 592 1HG2 VAL 76 HG21 VAL 76 -10.900 0.820 0.471 593 2HG2 VAL 76 HG22 VAL 76 -9.810 -0.372 -0.237 594 3HG2 VAL 76 HG23 VAL 76 -10.447 0.938 -1.230 595 H VAL 77 HN VAL 77 -5.275 1.099 0.172 596 HA VAL 77 HA VAL 77 -4.932 2.929 2.522 597 HB VAL 77 HB VAL 77 -2.758 1.653 2.904 598 1HG1 VAL 77 HG11 VAL 77 -3.797 0.297 4.411 599 2HG1 VAL 77 HG12 VAL 77 -4.887 -0.385 3.201 600 3HG1 VAL 77 HG13 VAL 77 -5.231 1.194 3.911 601 1HG2 VAL 77 HG21 VAL 77 -2.145 0.118 1.372 602 2HG2 VAL 77 HG22 VAL 77 -3.627 0.418 0.470 603 3HG2 VAL 77 HG23 VAL 77 -3.597 -0.817 1.726 604 HA PRO 78 HA PRO 78 -2.358 5.193 -0.270 605 1HB PRO 78 HB2 PRO 78 -0.215 5.893 1.293 606 2HB PRO 78 HB1 PRO 78 -1.806 6.667 1.437 607 1HG PRO 78 HG2 PRO 78 -0.586 4.524 3.099 608 2HG PRO 78 HG1 PRO 78 -1.553 5.921 3.597 609 1HD PRO 78 HD2 PRO 78 -2.587 3.424 3.421 610 2HD PRO 78 HD1 PRO 78 -3.551 4.885 3.103 611 H ALA 79 HN ALA 79 -1.801 3.411 -1.614 612 HA ALA 79 HA ALA 79 0.509 1.737 -0.847 613 1HB ALA 79 HB1 ALA 79 -0.574 0.179 -2.093 614 2HB ALA 79 HB2 ALA 79 -0.876 1.318 -3.406 615 3HB ALA 79 HB3 ALA 79 -1.940 1.291 -2.000 616 H ILE 80 HN ILE 80 2.489 2.144 -1.642 617 HA ILE 80 HA ILE 80 2.844 4.096 -3.853 618 HB ILE 80 HB ILE 80 4.846 2.695 -2.043 619 1HG1 ILE 80 HG12 ILE 80 3.601 5.437 -1.676 620 2HG1 ILE 80 HG11 ILE 80 3.032 3.997 -0.834 621 1HG2 ILE 80 HG21 ILE 80 4.988 4.751 -4.151 622 2HG2 ILE 80 HG22 ILE 80 6.258 3.711 -3.505 623 3HG2 ILE 80 HG23 ILE 80 5.814 5.192 -2.656 624 1HD1 ILE 80 HD11 ILE 80 4.996 3.795 0.421 625 2HD1 ILE 80 HD12 ILE 80 4.804 5.546 0.328 626 3HD1 ILE 80 HD13 ILE 80 5.949 4.728 -0.735 627 H VAL 81 HN VAL 81 3.022 3.242 -5.899 628 HA VAL 81 HA VAL 81 3.635 0.363 -6.231 629 HB VAL 81 HB VAL 81 2.754 2.547 -8.141 630 1HG1 VAL 81 HG11 VAL 81 3.748 -0.051 -8.656 631 2HG1 VAL 81 HG12 VAL 81 2.935 1.026 -9.790 632 3HG1 VAL 81 HG13 VAL 81 1.999 -0.145 -8.861 633 1HG2 VAL 81 HG21 VAL 81 1.389 0.973 -6.097 634 2HG2 VAL 81 HG22 VAL 81 0.684 0.714 -7.692 635 3HG2 VAL 81 HG23 VAL 81 0.791 2.343 -7.030 636 H VAL 82 HN VAL 82 5.384 -0.406 -7.478 637 HA VAL 82 HA VAL 82 7.513 1.614 -8.130 638 HB VAL 82 HB VAL 82 7.848 -1.262 -7.246 639 1HG1 VAL 82 HG11 VAL 82 10.074 -0.847 -7.288 640 2HG1 VAL 82 HG12 VAL 82 9.878 0.759 -6.586 641 3HG1 VAL 82 HG13 VAL 82 9.654 0.520 -8.320 642 1HG2 VAL 82 HG21 VAL 82 8.505 0.656 -5.203 643 2HG2 VAL 82 HG22 VAL 82 7.346 -0.671 -5.135 644 3HG2 VAL 82 HG23 VAL 82 6.839 0.911 -5.722 645 H GLY 83 HN GLY 83 8.876 1.081 -9.959 646 1HA GLY 83 HA2 GLY 83 9.467 -0.054 -11.967 647 2HA GLY 83 HA1 GLY 83 8.215 -1.247 -11.624 648 H ASP 84 HN ASP 84 8.054 2.307 -12.004 649 HA ASP 84 HA ASP 84 5.808 1.890 -13.932 650 1HB ASP 84 HB2 ASP 84 6.717 4.379 -12.457 651 2HB ASP 84 HB1 ASP 84 5.172 4.138 -13.271 652 H ARG 85 HN ARG 85 6.218 2.287 -16.071 653 HA ARG 85 HA ARG 85 8.587 3.999 -16.770 654 1HB ARG 85 HB2 ARG 85 7.363 1.621 -18.213 655 2HB ARG 85 HB1 ARG 85 8.788 2.515 -18.739 656 1HG ARG 85 HG2 ARG 85 8.613 1.162 -16.043 657 2HG ARG 85 HG1 ARG 85 9.263 0.364 -17.473 658 1HD ARG 85 HD2 ARG 85 10.855 2.361 -17.699 659 2HD ARG 85 HD1 ARG 85 10.352 2.810 -16.057 660 HE ARG 85 HE ARG 85 10.937 0.071 -15.944 661 1HH1 ARG 85 HH11 ARG 85 12.550 3.019 -16.746 662 2HH1 ARG 85 HH12 ARG 85 14.106 2.451 -16.245 663 1HH2 ARG 85 HH21 ARG 85 12.967 -0.678 -15.297 664 2HH2 ARG 85 HH22 ARG 85 14.342 0.367 -15.421 665 H ASP 86 HN ASP 86 8.284 5.447 -18.526 666 HA ASP 86 HA ASP 86 5.435 6.039 -19.181 667 1HB ASP 86 HB2 ASP 86 6.807 7.829 -18.231 668 2HB ASP 86 HB1 ASP 86 8.029 7.593 -19.481 669 H SER 87 HN SER 87 4.826 4.885 -21.007 670 HA SER 87 HA SER 87 6.446 5.289 -23.467 671 1HB SER 87 HB2 SER 87 6.652 2.938 -23.860 672 2HB SER 87 HB1 SER 87 7.108 3.179 -22.176 673 HG SER 87 HG SER 87 5.638 1.664 -21.932 674 H GLU 88 HN GLU 88 5.183 4.590 -25.431 675 HA GLU 88 HA GLU 88 2.396 5.429 -25.219 676 1HB GLU 88 HB2 GLU 88 2.512 5.388 -27.602 677 2HB GLU 88 HB1 GLU 88 4.123 5.865 -27.073 678 1HG GLU 88 HG2 GLU 88 4.850 3.487 -27.251 679 2HG GLU 88 HG1 GLU 88 3.256 3.073 -27.883 680 H ASP 89 HN ASP 89 3.746 2.542 -24.404 681 HA ASP 89 HA ASP 89 2.278 0.564 -25.824 682 1HB ASP 89 HB2 ASP 89 3.314 0.734 -22.979 683 2HB ASP 89 HB1 ASP 89 2.700 -0.756 -23.701 684 HA PRO 90 HA PRO 90 -1.708 1.786 -24.178 685 1HB PRO 90 HB2 PRO 90 -3.180 0.373 -25.988 686 2HB PRO 90 HB1 PRO 90 -2.432 1.937 -26.367 687 1HG PRO 90 HG2 PRO 90 -1.602 -0.792 -27.145 688 2HG PRO 90 HG1 PRO 90 -1.399 0.739 -28.003 689 1HD PRO 90 HD2 PRO 90 0.572 -0.596 -26.550 690 2HD PRO 90 HD1 PRO 90 0.634 1.099 -27.077 691 H ASP 91 HN ASP 91 -0.628 -1.504 -24.890 692 HA ASP 91 HA ASP 91 -2.745 -2.864 -23.459 693 1HB ASP 91 HB2 ASP 91 0.059 -3.598 -24.340 694 2HB ASP 91 HB1 ASP 91 -1.071 -4.762 -23.645 695 H GLU 92 HN GLU 92 0.548 -1.824 -22.600 696 HA GLU 92 HA GLU 92 -0.134 -2.370 -19.728 697 1HB GLU 92 HB2 GLU 92 2.552 -2.615 -21.122 698 2HB GLU 92 HB1 GLU 92 2.174 -3.118 -19.473 699 1HG GLU 92 HG2 GLU 92 0.485 -4.265 -21.644 700 2HG GLU 92 HG1 GLU 92 2.148 -4.836 -21.550 701 HA PRO 93 HA PRO 93 1.204 2.029 -20.424 702 1HB PRO 93 HB2 PRO 93 -1.128 3.234 -19.655 703 2HB PRO 93 HB1 PRO 93 -0.824 2.702 -21.317 704 1HG PRO 93 HG2 PRO 93 -2.507 1.478 -19.222 705 2HG PRO 93 HG1 PRO 93 -2.696 1.462 -20.981 706 1HD PRO 93 HD2 PRO 93 -1.698 -0.622 -19.416 707 2HD PRO 93 HD1 PRO 93 -1.551 -0.474 -21.179 708 H ALA 94 HN ALA 94 0.128 3.836 -18.481 709 HA ALA 94 HA ALA 94 0.910 2.519 -15.901 710 1HB ALA 94 HB1 ALA 94 2.704 3.896 -16.049 711 2HB ALA 94 HB2 ALA 94 1.588 5.224 -15.746 712 3HB ALA 94 HB3 ALA 94 1.998 4.778 -17.402 713 H LYS 95 HN LYS 95 -0.028 5.892 -16.304 714 HA LYS 95 HA LYS 95 -1.728 7.074 -15.125 715 1HB LYS 95 HB2 LYS 95 -3.173 4.851 -16.603 716 2HB LYS 95 HB1 LYS 95 -3.923 6.351 -16.056 717 1HG LYS 95 HG2 LYS 95 -1.610 6.144 -18.003 718 2HG LYS 95 HG1 LYS 95 -3.280 6.529 -18.422 719 1HD LYS 95 HD2 LYS 95 -3.114 8.484 -16.807 720 2HD LYS 95 HD1 LYS 95 -1.382 8.166 -16.730 721 1HE LYS 95 HE2 LYS 95 -1.224 9.530 -18.547 722 2HE LYS 95 HE1 LYS 95 -1.915 8.178 -19.467 723 1HZ LYS 95 HZ1 LYS 95 -3.469 10.260 -18.023 724 2HZ LYS 95 HZ2 LYS 95 -4.128 8.953 -18.887 725 3HZ LYS 95 HZ3 LYS 95 -3.275 10.173 -19.704 726 H GLU 96 HN GLU 96 -4.299 5.681 -14.374 727 HA GLU 96 HA GLU 96 -3.316 4.467 -11.821 728 1HB GLU 96 HB2 GLU 96 -4.641 6.451 -11.501 729 2HB GLU 96 HB1 GLU 96 -5.859 5.889 -12.649 730 1HG GLU 96 HG2 GLU 96 -5.266 4.081 -10.365 731 2HG GLU 96 HG1 GLU 96 -6.123 5.572 -9.983 732 H GLN 97 HN GLN 97 -3.743 2.315 -11.494 733 HA GLN 97 HA GLN 97 -6.134 0.972 -12.327 734 1HB GLN 97 HB2 GLN 97 -5.323 -0.222 -14.267 735 2HB GLN 97 HB1 GLN 97 -5.008 1.489 -14.536 736 1HG GLN 97 HG2 GLN 97 -2.684 1.187 -13.756 737 2HG GLN 97 HG1 GLN 97 -2.998 -0.529 -13.497 738 1HE2 GLN 97 HE21 GLN 97 -3.510 -1.850 -15.457 739 2HE2 GLN 97 HE22 GLN 97 -2.965 -1.335 -16.980 740 H LEU 98 HN LEU 98 -2.757 0.793 -11.353 741 HA LEU 98 HA LEU 98 -2.630 -2.008 -10.769 742 1HB LEU 98 HB2 LEU 98 -1.193 0.392 -9.582 743 2HB LEU 98 HB1 LEU 98 -0.659 -1.282 -9.444 744 HG LEU 98 HG LEU 98 -1.061 0.174 -12.070 745 1HD1 LEU 98 HD11 LEU 98 0.947 0.681 -10.323 746 2HD1 LEU 98 HD12 LEU 98 1.156 0.735 -12.074 747 3HD1 LEU 98 HD13 LEU 98 1.627 -0.706 -11.174 748 1HD2 LEU 98 HD21 LEU 98 -1.374 -2.177 -12.373 749 2HD2 LEU 98 HD22 LEU 98 -0.035 -2.563 -11.294 750 3HD2 LEU 98 HD23 LEU 98 0.286 -1.847 -12.874 751 H TYR 99 HN TYR 99 -3.640 0.834 -8.933 752 HA TYR 99 HA TYR 99 -4.911 -0.973 -6.950 753 1HB TYR 99 HB2 TYR 99 -2.509 0.019 -6.445 754 2HB TYR 99 HB1 TYR 99 -3.419 1.480 -6.073 755 HD1 TYR 99 HD1 TYR 99 -1.766 -0.150 -4.095 756 HD2 TYR 99 HD2 TYR 99 -5.928 -0.290 -5.151 757 HE1 TYR 99 HE1 TYR 99 -2.304 -1.045 -1.843 758 HE2 TYR 99 HE2 TYR 99 -6.464 -1.186 -2.897 759 HH TYR 99 HH TYR 99 -3.894 -1.820 -0.511 760 H HIS 100 HN HIS 100 -5.162 1.819 -5.470 761 HA HIS 100 HA HIS 100 -7.706 2.545 -6.819 762 1HB HIS 100 HB2 HIS 100 -7.695 4.145 -4.696 763 2HB HIS 100 HB1 HIS 100 -8.059 2.433 -4.520 764 HD2 HIS 100 HD2 HIS 100 -5.038 4.895 -3.775 765 HE1 HIS 100 HE1 HIS 100 -4.260 1.201 -1.874 766 HE2 HIS 100 HE2 HIS 100 -3.451 3.553 -2.239 767 H SER 101 HN SER 101 -8.009 5.180 -6.495 768 HA SER 101 HA SER 101 -6.032 6.326 -8.340 769 1HB SER 101 HB2 SER 101 -7.650 8.021 -8.596 770 2HB SER 101 HB1 SER 101 -8.622 6.598 -8.234 771 HG SER 101 HG SER 101 -8.979 8.655 -6.993 772 H ALA 102 HN ALA 102 -5.685 5.719 -5.238 773 HA ALA 102 HA ALA 102 -4.513 8.394 -4.571 774 1HB ALA 102 HB1 ALA 102 -4.791 7.013 -2.204 775 2HB ALA 102 HB2 ALA 102 -6.164 6.423 -3.142 776 3HB ALA 102 HB3 ALA 102 -5.973 8.151 -2.849 777 H GLU 103 HN GLU 103 -3.780 5.040 -5.129 778 HA GLU 103 HA GLU 103 -1.499 4.723 -3.447 779 1HB GLU 103 HB2 GLU 103 -1.205 2.776 -4.669 780 2HB GLU 103 HB1 GLU 103 -2.867 3.139 -5.113 781 1HG GLU 103 HG2 GLU 103 -0.496 4.078 -6.750 782 2HG GLU 103 HG1 GLU 103 -1.321 2.551 -7.045 783 H LEU 104 HN LEU 104 0.498 5.679 -3.539 784 HA LEU 104 HA LEU 104 1.043 7.672 -5.612 785 1HB LEU 104 HB2 LEU 104 2.071 6.796 -2.994 786 2HB LEU 104 HB1 LEU 104 3.327 7.362 -4.096 787 HG LEU 104 HG LEU 104 1.984 9.430 -4.499 788 1HD1 LEU 104 HD11 LEU 104 0.260 8.268 -2.287 789 2HD1 LEU 104 HD12 LEU 104 -0.233 8.534 -3.959 790 3HD1 LEU 104 HD13 LEU 104 0.122 9.911 -2.916 791 1HD2 LEU 104 HD21 LEU 104 3.245 8.621 -1.971 792 2HD2 LEU 104 HD22 LEU 104 2.133 9.978 -1.791 793 3HD2 LEU 104 HD23 LEU 104 3.480 10.086 -2.924 794 H HIS 105 HN HIS 105 3.075 7.600 -6.903 795 HA HIS 105 HA HIS 105 3.802 4.782 -7.637 796 1HB HIS 105 HB2 HIS 105 3.784 7.340 -9.267 797 2HB HIS 105 HB1 HIS 105 4.176 5.738 -9.884 798 HD1 HIS 105 HD1 HIS 105 1.691 7.565 -10.783 799 HD2 HIS 105 HD2 HIS 105 1.527 4.303 -8.191 800 HE1 HIS 105 HE1 HIS 105 -0.687 6.703 -10.868 801 H LEU 106 HN LEU 106 6.011 4.288 -7.757 802 HA LEU 106 HA LEU 106 7.943 6.529 -7.309 803 1HB LEU 106 HB2 LEU 106 7.419 5.419 -5.178 804 2HB LEU 106 HB1 LEU 106 7.832 3.856 -5.886 805 HG LEU 106 HG LEU 106 10.138 4.595 -6.249 806 1HD1 LEU 106 HD11 LEU 106 9.269 7.177 -4.909 807 2HD1 LEU 106 HD12 LEU 106 9.604 7.000 -6.631 808 3HD1 LEU 106 HD13 LEU 106 10.900 6.783 -5.456 809 1HD2 LEU 106 HD21 LEU 106 10.266 5.429 -3.565 810 2HD2 LEU 106 HD22 LEU 106 10.422 3.780 -4.166 811 3HD2 LEU 106 HD23 LEU 106 8.847 4.388 -3.662 812 H GLY 107 HN GLY 107 9.961 6.236 -8.308 813 1HA GLY 107 HA2 GLY 107 10.030 4.338 -10.518 814 2HA GLY 107 HA1 GLY 107 11.302 5.486 -10.097 815 H ILE 108 HN ILE 108 11.637 2.658 -10.773 816 HA ILE 108 HA ILE 108 12.093 1.043 -8.455 817 HB ILE 108 HB ILE 108 13.009 1.151 -11.330 818 1HG1 ILE 108 HG12 ILE 108 10.646 0.560 -10.703 819 2HG1 ILE 108 HG11 ILE 108 11.493 -0.717 -11.578 820 1HG2 ILE 108 HG21 ILE 108 13.763 -1.264 -10.844 821 2HG2 ILE 108 HG22 ILE 108 13.826 -0.752 -9.157 822 3HG2 ILE 108 HG23 ILE 108 14.835 0.051 -10.361 823 1HD1 ILE 108 HD11 ILE 108 10.165 -1.129 -9.245 824 2HD1 ILE 108 HD12 ILE 108 11.782 -0.782 -8.632 825 3HD1 ILE 108 HD13 ILE 108 11.535 -2.108 -9.768 826 H HIS 109 HN HIS 109 14.139 3.263 -10.309 827 HA HIS 109 HA HIS 109 16.509 2.723 -8.637 828 1HB HIS 109 HB2 HIS 109 17.507 4.406 -10.182 829 2HB HIS 109 HB1 HIS 109 16.671 3.126 -11.062 830 HD1 HIS 109 HD1 HIS 109 16.453 6.768 -10.213 831 HD2 HIS 109 HD2 HIS 109 14.229 3.943 -12.323 832 HE1 HIS 109 HE1 HIS 109 14.718 8.060 -11.530 833 H GLN 110 HN GLN 110 13.735 4.414 -8.128 834 HA GLN 110 HA GLN 110 15.081 6.709 -6.763 835 1HB GLN 110 HB2 GLN 110 12.224 6.193 -7.646 836 2HB GLN 110 HB1 GLN 110 12.775 7.672 -6.859 837 1HG GLN 110 HG2 GLN 110 14.501 7.850 -8.750 838 2HG GLN 110 HG1 GLN 110 13.564 6.602 -9.573 839 1HE2 GLN 110 HE21 GLN 110 11.905 7.387 -10.880 840 2HE2 GLN 110 HE22 GLN 110 11.158 8.901 -10.699 841 H LEU 111 HN LEU 111 14.917 3.927 -5.690 842 HA LEU 111 HA LEU 111 12.847 3.770 -3.687 843 1HB LEU 111 HB2 LEU 111 15.384 2.399 -4.446 844 2HB LEU 111 HB1 LEU 111 14.783 2.111 -2.816 845 HG LEU 111 HG LEU 111 13.998 0.619 -4.901 846 1HD1 LEU 111 HD11 LEU 111 11.764 1.310 -3.099 847 2HD1 LEU 111 HD12 LEU 111 13.286 0.910 -2.299 848 3HD1 LEU 111 HD13 LEU 111 12.533 -0.250 -3.398 849 1HD2 LEU 111 HD21 LEU 111 11.721 2.584 -4.730 850 2HD2 LEU 111 HD22 LEU 111 12.031 1.355 -5.956 851 3HD2 LEU 111 HD23 LEU 111 13.007 2.824 -5.912 852 H GLU 112 HN GLU 112 13.621 6.237 -3.287 853 HA GLU 112 HA GLU 112 15.031 6.159 -0.661 854 1HB GLU 112 HB2 GLU 112 15.550 8.166 -2.881 855 2HB GLU 112 HB1 GLU 112 16.396 8.067 -1.337 856 1HG GLU 112 HG2 GLU 112 17.175 5.784 -1.935 857 2HG GLU 112 HG1 GLU 112 16.394 5.955 -3.506 858 H GLN 113 HN GLN 113 12.456 7.253 -2.617 859 HA GLN 113 HA GLN 113 11.793 9.550 -0.829 860 1HB GLN 113 HB2 GLN 113 10.735 8.522 -3.479 861 2HB GLN 113 HB1 GLN 113 10.077 9.929 -2.640 862 1HG GLN 113 HG2 GLN 113 11.680 11.191 -3.575 863 2HG GLN 113 HG1 GLN 113 12.881 10.266 -2.679 864 1HE2 GLN 113 HE21 GLN 113 13.968 8.497 -3.794 865 2HE2 GLN 113 HE22 GLN 113 13.892 8.335 -5.481 866 H LEU 114 HN LEU 114 11.268 6.273 -0.942 867 HA LEU 114 HA LEU 114 8.557 5.768 -0.656 868 1HB LEU 114 HB2 LEU 114 11.041 4.710 0.643 869 2HB LEU 114 HB1 LEU 114 9.469 4.070 1.118 870 HG LEU 114 HG LEU 114 9.674 4.281 -1.768 871 1HD1 LEU 114 HD11 LEU 114 11.981 3.210 -0.282 872 2HD1 LEU 114 HD12 LEU 114 11.863 3.711 -1.969 873 3HD1 LEU 114 HD13 LEU 114 11.321 2.104 -1.486 874 1HD2 LEU 114 HD21 LEU 114 8.793 2.442 0.340 875 2HD2 LEU 114 HD22 LEU 114 9.471 1.611 -1.058 876 3HD2 LEU 114 HD23 LEU 114 8.110 2.715 -1.260 877 HA PRO 115 HA PRO 115 8.712 6.870 4.027 878 1HB PRO 115 HB2 PRO 115 10.631 8.698 4.771 879 2HB PRO 115 HB1 PRO 115 10.849 6.939 4.901 880 1HG PRO 115 HG2 PRO 115 11.770 8.800 2.749 881 2HG PRO 115 HG1 PRO 115 12.652 7.489 3.553 882 1HD PRO 115 HD2 PRO 115 11.589 7.139 1.132 883 2HD PRO 115 HD1 PRO 115 11.562 5.830 2.336 884 H TYR 116 HN TYR 116 10.136 9.586 2.158 885 HA TYR 116 HA TYR 116 8.224 11.515 3.065 886 1HB TYR 116 HB2 TYR 116 9.785 12.754 2.006 887 2HB TYR 116 HB1 TYR 116 10.500 11.287 1.350 888 HD1 TYR 116 HD1 TYR 116 7.512 13.487 0.770 889 HD2 TYR 116 HD2 TYR 116 10.646 11.109 -0.943 890 HE1 TYR 116 HE1 TYR 116 6.775 14.151 -1.504 891 HE2 TYR 116 HE2 TYR 116 9.913 11.766 -3.216 892 HH TYR 116 HH TYR 116 7.271 14.105 -3.686 893 H GLN 117 HN GLN 117 8.313 9.327 0.272 894 HA GLN 117 HA GLN 117 5.881 10.182 -0.996 895 1HB GLN 117 HB2 GLN 117 7.420 7.576 -0.894 896 2HB GLN 117 HB1 GLN 117 6.016 7.810 -1.934 897 1HG GLN 117 HG2 GLN 117 8.053 9.944 -2.107 898 2HG GLN 117 HG1 GLN 117 8.579 8.366 -2.692 899 1HE2 GLN 117 HE21 GLN 117 6.695 11.148 -3.488 900 2HE2 GLN 117 HE22 GLN 117 5.987 10.535 -4.904 901 H VAL 118 HN VAL 118 6.615 7.805 1.521 902 HA VAL 118 HA VAL 118 3.984 6.706 1.811 903 HB VAL 118 HB VAL 118 6.479 6.971 3.474 904 1HG1 VAL 118 HG11 VAL 118 5.188 5.451 5.160 905 2HG1 VAL 118 HG12 VAL 118 3.742 6.175 4.461 906 3HG1 VAL 118 HG13 VAL 118 4.945 7.196 5.249 907 1HG2 VAL 118 HG21 VAL 118 4.811 4.622 2.512 908 2HG2 VAL 118 HG22 VAL 118 6.341 4.497 3.379 909 3HG2 VAL 118 HG23 VAL 118 6.299 5.199 1.763 910 H ASP 119 HN ASP 119 5.637 9.280 3.706 911 HA ASP 119 HA ASP 119 3.408 10.052 5.290 912 1HB ASP 119 HB2 ASP 119 5.799 11.543 4.165 913 2HB ASP 119 HB1 ASP 119 4.692 12.267 5.332 914 H ALA 120 HN ALA 120 4.443 11.074 2.044 915 HA ALA 120 HA ALA 120 2.316 13.017 1.670 916 1HB ALA 120 HB1 ALA 120 3.378 13.313 -0.366 917 2HB ALA 120 HB2 ALA 120 3.574 11.580 -0.626 918 3HB ALA 120 HB3 ALA 120 4.670 12.438 0.457 919 H ALA 121 HN ALA 121 2.808 9.589 0.891 920 HA ALA 121 HA ALA 121 0.456 9.142 -0.651 921 1HB ALA 121 HB1 ALA 121 0.877 6.773 0.060 922 2HB ALA 121 HB2 ALA 121 2.035 7.370 1.248 923 3HB ALA 121 HB3 ALA 121 2.347 7.587 -0.473 924 H LEU 122 HN LEU 122 1.029 9.053 2.870 925 HA LEU 122 HA LEU 122 -1.547 8.089 3.653 926 1HB LEU 122 HB2 LEU 122 0.398 10.000 5.000 927 2HB LEU 122 HB1 LEU 122 -0.907 9.146 5.823 928 HG LEU 122 HG LEU 122 1.108 7.593 4.222 929 1HD1 LEU 122 HD11 LEU 122 2.779 8.252 5.587 930 2HD1 LEU 122 HD12 LEU 122 1.904 7.498 6.919 931 3HD1 LEU 122 HD13 LEU 122 1.670 9.210 6.567 932 1HD2 LEU 122 HD21 LEU 122 -0.050 5.876 5.113 933 2HD2 LEU 122 HD22 LEU 122 -1.139 7.030 5.881 934 3HD2 LEU 122 HD23 LEU 122 0.295 6.463 6.739 935 H ALA 123 HN ALA 123 -0.317 11.453 3.533 936 HA ALA 123 HA ALA 123 -2.839 12.705 4.044 937 1HB ALA 123 HB1 ALA 123 -0.665 13.890 2.325 938 2HB ALA 123 HB2 ALA 123 -0.355 13.562 4.030 939 3HB ALA 123 HB3 ALA 123 -1.641 14.677 3.567 940 H GLU 124 HN GLU 124 -1.207 11.735 1.030 941 HA GLU 124 HA GLU 124 -3.076 12.917 -0.791 942 1HB GLU 124 HB2 GLU 124 -0.719 11.885 -1.125 943 2HB GLU 124 HB1 GLU 124 -1.565 10.342 -1.241 944 1HG GLU 124 HG2 GLU 124 -2.596 12.621 -2.875 945 2HG GLU 124 HG1 GLU 124 -1.113 11.830 -3.406 946 H PHE 125 HN PHE 125 -2.960 9.688 0.748 947 HA PHE 125 HA PHE 125 -5.226 8.598 -0.654 948 1HB PHE 125 HB2 PHE 125 -3.519 7.284 0.541 949 2HB PHE 125 HB1 PHE 125 -4.032 7.997 2.071 950 HD1 PHE 125 HD1 PHE 125 -4.990 5.721 -0.675 951 HD2 PHE 125 HD2 PHE 125 -6.099 7.323 3.154 952 HE1 PHE 125 HE1 PHE 125 -6.751 3.989 -0.462 953 HE2 PHE 125 HE2 PHE 125 -7.862 5.589 3.367 954 HZ PHE 125 HZ PHE 125 -8.189 3.923 1.559 955 H LEU 126 HN LEU 126 -4.901 10.380 2.406 956 HA LEU 126 HA LEU 126 -7.554 10.051 3.372 957 1HB LEU 126 HB2 LEU 126 -5.491 12.252 3.622 958 2HB LEU 126 HB1 LEU 126 -6.961 12.185 4.599 959 HG LEU 126 HG LEU 126 -4.858 10.008 4.450 960 1HD1 LEU 126 HD11 LEU 126 -5.540 11.636 6.884 961 2HD1 LEU 126 HD12 LEU 126 -4.402 12.270 5.694 962 3HD1 LEU 126 HD13 LEU 126 -4.059 10.750 6.520 963 1HD2 LEU 126 HD21 LEU 126 -7.006 9.021 4.861 964 2HD2 LEU 126 HD22 LEU 126 -7.451 10.306 5.986 965 3HD2 LEU 126 HD23 LEU 126 -6.205 9.136 6.428 966 H ARG 127 HN ARG 127 -6.196 12.712 1.378 967 HA ARG 127 HA ARG 127 -8.615 14.201 1.126 968 1HB ARG 127 HB2 ARG 127 -6.309 13.891 -0.827 969 2HB ARG 127 HB1 ARG 127 -7.424 15.257 -0.739 970 1HG ARG 127 HG2 ARG 127 -6.647 15.427 1.742 971 2HG ARG 127 HG1 ARG 127 -5.280 14.447 1.212 972 1HD ARG 127 HD2 ARG 127 -5.726 16.562 -0.702 973 2HD ARG 127 HD1 ARG 127 -5.567 17.249 0.927 974 HE ARG 127 HE ARG 127 -3.600 15.210 0.626 975 1HH1 ARG 127 HH11 ARG 127 -4.451 18.338 -0.565 976 2HH1 ARG 127 HH12 ARG 127 -2.815 18.802 -0.885 977 1HH2 ARG 127 HH21 ARG 127 -1.461 15.811 0.212 978 2HH2 ARG 127 HH22 ARG 127 -1.127 17.377 -0.448 979 H LEU 128 HN LEU 128 -7.273 11.572 -0.869 980 HA LEU 128 HA LEU 128 -9.512 11.655 -2.766 981 1HB LEU 128 HB2 LEU 128 -6.974 10.142 -2.349 982 2HB LEU 128 HB1 LEU 128 -8.206 9.442 -3.398 983 HG LEU 128 HG LEU 128 -8.287 11.599 -4.666 984 1HD1 LEU 128 HD11 LEU 128 -7.467 13.318 -3.387 985 2HD1 LEU 128 HD12 LEU 128 -5.964 12.880 -4.197 986 3HD1 LEU 128 HD13 LEU 128 -6.292 12.288 -2.568 987 1HD2 LEU 128 HD21 LEU 128 -6.403 11.082 -5.992 988 2HD2 LEU 128 HD22 LEU 128 -6.756 9.557 -5.179 989 3HD2 LEU 128 HD23 LEU 128 -5.446 10.585 -4.596 990 H ALA 129 HN ALA 129 -8.778 9.994 0.210 991 HA ALA 129 HA ALA 129 -10.445 7.688 -0.215 992 1HB ALA 129 HB1 ALA 129 -8.925 7.461 1.520 993 2HB ALA 129 HB2 ALA 129 -10.369 7.887 2.436 994 3HB ALA 129 HB3 ALA 129 -9.161 9.119 2.075 995 HA PRO 130 HA PRO 130 -11.825 6.433 0.453 996 1HB PRO 130 HB2 PRO 130 -14.169 5.606 -0.680 997 2HB PRO 130 HB1 PRO 130 -13.952 5.758 1.074 998 1HG PRO 130 HG2 PRO 130 -15.322 7.583 -0.826 999 2HG PRO 130 HG1 PRO 130 -15.743 7.163 0.842 1000 1HD PRO 130 HD2 PRO 130 -14.508 9.501 0.090 1001 2HD PRO 130 HD1 PRO 130 -14.401 8.785 1.713 1002 H VAL 131 HN VAL 131 -10.459 6.216 -1.324 1003 HA VAL 131 HA VAL 131 -10.904 7.548 -3.858 1004 HB VAL 131 HB VAL 131 -8.934 6.206 -4.535 1005 1HG1 VAL 131 HG11 VAL 131 -7.940 6.759 -1.900 1006 2HG1 VAL 131 HG12 VAL 131 -9.098 8.002 -2.352 1007 3HG1 VAL 131 HG13 VAL 131 -7.706 7.685 -3.380 1008 1HG2 VAL 131 HG21 VAL 131 -9.418 4.808 -1.890 1009 2HG2 VAL 131 HG22 VAL 131 -7.977 4.607 -2.882 1010 3HG2 VAL 131 HG23 VAL 131 -9.548 4.089 -3.494 1011 H GLU 132 HN GLU 132 -11.027 6.213 -5.957 1012 HA GLU 132 HA GLU 132 -13.206 4.222 -5.649 1013 1HB GLU 132 HB2 GLU 132 -12.121 6.028 -7.764 1014 2HB GLU 132 HB1 GLU 132 -12.957 4.567 -8.296 1015 1HG GLU 132 HG2 GLU 132 -14.615 6.308 -8.114 1016 2HG GLU 132 HG1 GLU 132 -14.860 5.203 -6.761 1017 H THR 133 HN THR 133 -12.262 2.249 -5.132 1018 HA THR 133 HA THR 133 -9.835 1.292 -6.499 1019 HB THR 133 HB THR 133 -10.704 -0.801 -5.058 1020 HG1 THR 133 HG1 THR 133 -12.595 -0.177 -4.311 1021 1HG2 THR 133 HG21 THR 133 -9.529 0.167 -3.113 1022 2HG2 THR 133 HG22 THR 133 -9.631 1.764 -3.849 1023 3HG2 THR 133 HG23 THR 133 -8.657 0.504 -4.607 1024 H MET 134 HN MET 134 -11.161 1.563 -8.659 1025 HA MET 134 HA MET 134 -13.257 -0.349 -9.258 1026 1HB MET 134 HB2 MET 134 -11.370 1.291 -10.981 1027 2HB MET 134 HB1 MET 134 -12.796 0.449 -11.586 1028 1HG MET 134 HG2 MET 134 -14.221 1.776 -10.056 1029 2HG MET 134 HG1 MET 134 -12.791 2.635 -9.483 1030 1HE MET 134 HE1 MET 134 -11.039 3.152 -11.145 1031 2HE MET 134 HE2 MET 134 -11.355 4.449 -12.294 1032 3HE MET 134 HE3 MET 134 -11.309 2.779 -12.855 1033 H ALA 135 HN ALA 135 -11.334 -1.971 -8.136 1034 HA ALA 135 HA ALA 135 -9.306 -3.062 -9.749 1035 1HB ALA 135 HB1 ALA 135 -10.890 -5.072 -8.339 1036 2HB ALA 135 HB2 ALA 135 -10.625 -3.633 -7.354 1037 3HB ALA 135 HB3 ALA 135 -9.248 -4.517 -8.012 Start of MODEL 25 1 1H MET 1 HT1 MET 1 0.512 8.285 21.583 2 2H MET 1 HT2 MET 1 -0.504 8.087 22.931 3 3H MET 1 HT3 MET 1 -0.771 9.362 21.839 4 HA MET 1 HA MET 1 -1.717 6.671 21.726 5 1HB MET 1 HB2 MET 1 -2.155 9.288 20.260 6 2HB MET 1 HB1 MET 1 -3.134 7.850 19.971 7 1HG MET 1 HG2 MET 1 -3.745 7.795 22.367 8 2HG MET 1 HG1 MET 1 -2.793 9.254 22.637 9 1HE MET 1 HE1 MET 1 -6.607 8.785 20.151 10 2HE MET 1 HE2 MET 1 -6.280 7.849 21.607 11 3HE MET 1 HE3 MET 1 -5.216 7.694 20.212 12 H LEU 2 HN LEU 2 -0.426 8.782 19.120 13 HA LEU 2 HA LEU 2 -0.093 6.628 17.258 14 1HB LEU 2 HB2 LEU 2 -0.256 9.088 16.772 15 2HB LEU 2 HB1 LEU 2 1.378 9.272 17.410 16 HG LEU 2 HG LEU 2 0.786 7.269 15.242 17 1HD1 LEU 2 HD11 LEU 2 0.947 8.845 13.560 18 2HD1 LEU 2 HD12 LEU 2 1.857 9.978 14.559 19 3HD1 LEU 2 HD13 LEU 2 0.116 9.806 14.782 20 1HD2 LEU 2 HD21 LEU 2 3.128 8.394 16.627 21 2HD2 LEU 2 HD22 LEU 2 3.294 8.357 14.872 22 3HD2 LEU 2 HD23 LEU 2 2.963 6.868 15.759 23 H SER 3 HN SER 3 1.272 4.948 17.674 24 HA SER 3 HA SER 3 3.797 5.418 19.165 25 1HB SER 3 HB2 SER 3 1.887 3.473 19.232 26 2HB SER 3 HB1 SER 3 3.050 2.742 18.129 27 HG SER 3 HG SER 3 3.510 3.726 20.752 28 H GLN 4 HN GLN 4 2.830 3.589 16.276 29 HA GLN 4 HA GLN 4 5.201 4.624 14.799 30 1HB GLN 4 HB2 GLN 4 4.519 1.715 15.333 31 2HB GLN 4 HB1 GLN 4 5.767 2.250 14.208 32 1HG GLN 4 HG2 GLN 4 6.909 3.428 16.078 33 2HG GLN 4 HG1 GLN 4 5.690 2.804 17.188 34 1HE2 GLN 4 HE21 GLN 4 7.831 1.450 14.599 35 2HE2 GLN 4 HE22 GLN 4 8.274 0.075 15.489 36 H ILE 5 HN ILE 5 5.067 3.839 12.449 37 HA ILE 5 HA ILE 5 2.235 3.987 11.525 38 HB ILE 5 HB ILE 5 4.917 4.292 10.130 39 1HG1 ILE 5 HG12 ILE 5 2.904 6.439 10.844 40 2HG1 ILE 5 HG11 ILE 5 4.275 6.034 11.882 41 1HG2 ILE 5 HG21 ILE 5 2.907 3.563 8.731 42 2HG2 ILE 5 HG22 ILE 5 3.710 5.050 8.222 43 3HG2 ILE 5 HG23 ILE 5 2.196 5.127 9.124 44 1HD1 ILE 5 HD11 ILE 5 4.554 6.799 8.963 45 2HD1 ILE 5 HD12 ILE 5 5.849 6.607 10.144 46 3HD1 ILE 5 HD13 ILE 5 4.712 7.947 10.291 47 H ALA 6 HN ALA 6 1.296 2.206 10.473 48 HA ALA 6 HA ALA 6 2.932 -0.259 10.292 49 1HB ALA 6 HB1 ALA 6 0.396 0.329 11.143 50 2HB ALA 6 HB2 ALA 6 0.926 -1.280 10.656 51 3HB ALA 6 HB3 ALA 6 0.087 -0.240 9.505 52 H ILE 7 HN ILE 7 3.868 -0.732 8.335 53 HA ILE 7 HA ILE 7 2.429 0.179 5.870 54 HB ILE 7 HB ILE 7 5.408 -0.002 6.429 55 1HG1 ILE 7 HG12 ILE 7 3.514 2.341 6.070 56 2HG1 ILE 7 HG11 ILE 7 4.365 1.902 7.549 57 1HG2 ILE 7 HG21 ILE 7 4.156 -0.295 3.994 58 2HG2 ILE 7 HG22 ILE 7 5.796 0.315 4.212 59 3HG2 ILE 7 HG23 ILE 7 4.451 1.441 4.048 60 1HD1 ILE 7 HD11 ILE 7 6.461 2.526 6.672 61 2HD1 ILE 7 HD12 ILE 7 5.377 3.786 6.083 62 3HD1 ILE 7 HD13 ILE 7 5.879 2.478 5.008 63 H CYS 8 HN CYS 8 2.137 -1.410 4.309 64 HA CYS 8 HA CYS 8 3.188 -4.133 4.998 65 1HB CYS 8 HB2 CYS 8 0.788 -3.956 5.142 66 2HB CYS 8 HB1 CYS 8 0.702 -3.129 3.589 67 HG CYS 8 HG CYS 8 1.969 -5.697 2.974 68 H ILE 9 HN ILE 9 4.959 -4.520 3.693 69 HA ILE 9 HA ILE 9 4.861 -3.588 0.859 70 HB ILE 9 HB ILE 9 6.744 -2.978 2.418 71 1HG1 ILE 9 HG12 ILE 9 7.286 -4.651 -0.051 72 2HG1 ILE 9 HG11 ILE 9 7.280 -2.896 0.085 73 1HG2 ILE 9 HG21 ILE 9 8.305 -4.741 3.064 74 2HG2 ILE 9 HG22 ILE 9 7.337 -5.943 2.212 75 3HG2 ILE 9 HG23 ILE 9 6.693 -5.148 3.647 76 1HD1 ILE 9 HD11 ILE 9 9.572 -3.432 0.078 77 2HD1 ILE 9 HD12 ILE 9 9.336 -4.838 1.114 78 3HD1 ILE 9 HD13 ILE 9 9.203 -3.214 1.786 79 H TRP 10 HN TRP 10 4.773 -5.051 -0.791 80 HA TRP 10 HA TRP 10 5.029 -7.963 -0.099 81 1HB TRP 10 HB2 TRP 10 2.769 -7.557 -0.772 82 2HB TRP 10 HB1 TRP 10 3.274 -6.474 -2.072 83 HD1 TRP 10 HD1 TRP 10 5.136 -9.717 -1.502 84 HE1 TRP 10 HE1 TRP 10 4.738 -11.310 -3.489 85 HE3 TRP 10 HE3 TRP 10 1.485 -7.140 -3.990 86 HZ2 TRP 10 HZ2 TRP 10 3.095 -11.476 -5.811 87 HZ3 TRP 10 HZ3 TRP 10 0.527 -8.054 -6.084 88 HH2 TRP 10 HH2 TRP 10 1.325 -10.211 -6.999 89 H VAL 11 HN VAL 11 7.230 -8.210 -0.666 90 HA VAL 11 HA VAL 11 7.812 -7.798 -3.559 91 HB VAL 11 HB VAL 11 8.509 -5.786 -2.405 92 1HG1 VAL 11 HG11 VAL 11 8.569 -6.817 -0.141 93 2HG1 VAL 11 HG12 VAL 11 10.017 -5.876 -0.487 94 3HG1 VAL 11 HG13 VAL 11 10.066 -7.636 -0.581 95 1HG2 VAL 11 HG21 VAL 11 10.693 -7.719 -3.172 96 2HG2 VAL 11 HG22 VAL 11 11.071 -6.071 -2.666 97 3HG2 VAL 11 HG23 VAL 11 10.067 -6.348 -4.089 98 H GLU 12 HN GLU 12 8.693 -9.628 -4.325 99 HA GLU 12 HA GLU 12 9.613 -11.766 -2.578 100 1HB GLU 12 HB2 GLU 12 9.333 -11.240 -5.526 101 2HB GLU 12 HB1 GLU 12 10.166 -12.691 -4.967 102 1HG GLU 12 HG2 GLU 12 8.165 -13.264 -3.592 103 2HG GLU 12 HG1 GLU 12 7.335 -11.861 -4.265 104 H SER 13 HN SER 13 11.139 -9.215 -4.467 105 HA SER 13 HA SER 13 13.819 -10.384 -4.341 106 1HB SER 13 HB2 SER 13 12.740 -8.705 -6.030 107 2HB SER 13 HB1 SER 13 13.143 -7.486 -4.825 108 HG SER 13 HG SER 13 14.798 -7.878 -6.429 109 H THR 14 HN THR 14 15.236 -10.168 -2.639 110 HA THR 14 HA THR 14 14.472 -8.930 -0.155 111 HB THR 14 HB THR 14 17.249 -9.611 -1.153 112 HG1 THR 14 HG1 THR 14 16.814 -11.690 -0.670 113 1HG2 THR 14 HG21 THR 14 15.950 -9.486 1.568 114 2HG2 THR 14 HG22 THR 14 17.296 -8.514 0.974 115 3HG2 THR 14 HG23 THR 14 17.522 -10.237 1.281 116 H ALA 15 HN ALA 15 16.711 -7.956 -2.764 117 HA ALA 15 HA ALA 15 17.752 -5.587 -1.661 118 1HB ALA 15 HB1 ALA 15 17.417 -5.023 -4.336 119 2HB ALA 15 HB2 ALA 15 17.266 -6.782 -4.317 120 3HB ALA 15 HB3 ALA 15 18.721 -6.014 -3.684 121 H ILE 16 HN ILE 16 14.785 -5.935 -3.667 122 HA ILE 16 HA ILE 16 13.948 -3.199 -3.431 123 HB ILE 16 HB ILE 16 12.516 -5.833 -3.891 124 1HG1 ILE 16 HG12 ILE 16 13.125 -3.604 -5.844 125 2HG1 ILE 16 HG11 ILE 16 14.260 -4.917 -5.536 126 1HG2 ILE 16 HG21 ILE 16 10.653 -4.404 -4.787 127 2HG2 ILE 16 HG22 ILE 16 11.472 -2.992 -4.116 128 3HG2 ILE 16 HG23 ILE 16 10.871 -4.257 -3.044 129 1HD1 ILE 16 HD11 ILE 16 13.036 -6.405 -6.726 130 2HD1 ILE 16 HD12 ILE 16 12.228 -4.990 -7.401 131 3HD1 ILE 16 HD13 ILE 16 11.516 -5.840 -6.031 132 H LEU 17 HN LEU 17 13.266 -6.129 -1.563 133 HA LEU 17 HA LEU 17 11.415 -5.068 0.319 134 1HB LEU 17 HB2 LEU 17 11.680 -7.399 0.251 135 2HB LEU 17 HB1 LEU 17 13.432 -7.291 0.170 136 HG LEU 17 HG LEU 17 12.362 -8.120 2.371 137 1HD1 LEU 17 HD11 LEU 17 14.186 -5.811 2.896 138 2HD1 LEU 17 HD12 LEU 17 14.754 -7.115 1.854 139 3HD1 LEU 17 HD13 LEU 17 14.253 -7.463 3.506 140 1HD2 LEU 17 HD21 LEU 17 12.150 -5.766 3.771 141 2HD2 LEU 17 HD22 LEU 17 10.783 -6.709 3.182 142 3HD2 LEU 17 HD23 LEU 17 11.372 -5.343 2.247 143 H GLN 18 HN GLN 18 14.962 -5.214 0.323 144 HA GLN 18 HA GLN 18 15.293 -3.958 2.908 145 1HB GLN 18 HB2 GLN 18 17.024 -4.478 0.484 146 2HB GLN 18 HB1 GLN 18 17.657 -3.624 1.891 147 1HG GLN 18 HG2 GLN 18 16.965 -5.557 3.319 148 2HG GLN 18 HG1 GLN 18 16.475 -6.415 1.858 149 1HE2 GLN 18 HE21 GLN 18 19.117 -5.888 3.941 150 2HE2 GLN 18 HE22 GLN 18 20.348 -6.448 2.916 151 H ASP 19 HN ASP 19 15.717 -2.725 -0.431 152 HA ASP 19 HA ASP 19 16.276 -0.036 0.219 153 1HB ASP 19 HB2 ASP 19 14.623 -1.089 -2.100 154 2HB ASP 19 HB1 ASP 19 15.619 0.366 -2.085 155 H CYS 20 HN CYS 20 13.128 -1.651 -0.248 156 HA CYS 20 HA CYS 20 11.465 0.645 0.009 157 1HB CYS 20 HB2 CYS 20 11.162 -2.305 0.581 158 2HB CYS 20 HB1 CYS 20 9.819 -1.186 0.814 159 HG CYS 20 HG CYS 20 10.826 -2.177 -1.871 160 H GLN 21 HN GLN 21 12.581 -1.672 2.520 161 HA GLN 21 HA GLN 21 11.344 -0.109 4.656 162 1HB GLN 21 HB2 GLN 21 13.281 -2.437 4.562 163 2HB GLN 21 HB1 GLN 21 12.548 -1.824 6.046 164 1HG GLN 21 HG2 GLN 21 10.295 -2.217 5.061 165 2HG GLN 21 HG1 GLN 21 11.067 -2.925 3.642 166 1HE2 GLN 21 HE21 GLN 21 13.235 -4.038 5.554 167 2HE2 GLN 21 HE22 GLN 21 12.505 -5.421 6.211 168 H ARG 22 HN ARG 22 14.634 -0.557 3.338 169 HA ARG 22 HA ARG 22 16.155 0.793 5.266 170 1HB ARG 22 HB2 ARG 22 16.176 0.591 2.260 171 2HB ARG 22 HB1 ARG 22 17.352 1.635 3.057 172 1HG ARG 22 HG2 ARG 22 17.007 -1.355 3.361 173 2HG ARG 22 HG1 ARG 22 18.444 -0.474 2.845 174 1HD ARG 22 HD2 ARG 22 18.013 0.638 5.305 175 2HD ARG 22 HD1 ARG 22 17.461 -1.026 5.572 176 HE ARG 22 HE ARG 22 19.830 -1.311 4.138 177 1HH1 ARG 22 HH11 ARG 22 18.854 0.308 7.027 178 2HH1 ARG 22 HH12 ARG 22 20.353 0.027 7.848 179 1HH2 ARG 22 HH21 ARG 22 21.797 -1.689 5.208 180 2HH2 ARG 22 HH22 ARG 22 22.013 -1.099 6.821 181 H ALA 23 HN ALA 23 14.397 2.188 2.498 182 HA ALA 23 HA ALA 23 14.778 4.940 3.250 183 1HB ALA 23 HB1 ALA 23 14.045 3.925 1.009 184 2HB ALA 23 HB2 ALA 23 13.116 5.329 1.534 185 3HB ALA 23 HB3 ALA 23 12.451 3.709 1.730 186 H LEU 24 HN LEU 24 12.030 2.665 3.714 187 HA LEU 24 HA LEU 24 10.727 4.476 5.643 188 1HB LEU 24 HB2 LEU 24 10.151 1.632 4.732 189 2HB LEU 24 HB1 LEU 24 9.040 2.671 5.623 190 HG LEU 24 HG LEU 24 10.187 3.315 2.895 191 1HD1 LEU 24 HD11 LEU 24 7.996 1.630 3.674 192 2HD1 LEU 24 HD12 LEU 24 8.548 2.037 2.048 193 3HD1 LEU 24 HD13 LEU 24 7.368 3.063 2.861 194 1HD2 LEU 24 HD21 LEU 24 8.341 4.703 4.811 195 2HD2 LEU 24 HD22 LEU 24 8.174 4.966 3.077 196 3HD2 LEU 24 HD23 LEU 24 9.689 5.364 3.886 197 H SER 25 HN SER 25 13.151 4.019 6.730 198 HA SER 25 HA SER 25 12.931 1.662 8.544 199 1HB SER 25 HB2 SER 25 14.985 1.914 7.229 200 2HB SER 25 HB1 SER 25 15.212 3.544 7.858 201 HG SER 25 HG SER 25 15.292 2.556 9.972 202 H ALA 26 HN ALA 26 12.177 4.913 8.515 203 HA ALA 26 HA ALA 26 12.988 6.210 10.775 204 1HB ALA 26 HB1 ALA 26 10.946 7.337 10.602 205 2HB ALA 26 HB2 ALA 26 10.032 5.847 10.379 206 3HB ALA 26 HB3 ALA 26 10.973 6.511 9.044 207 H ASP 27 HN ASP 27 12.836 5.887 13.020 208 HA ASP 27 HA ASP 27 12.489 3.316 14.099 209 1HB ASP 27 HB2 ASP 27 12.057 6.017 15.415 210 2HB ASP 27 HB1 ASP 27 12.425 4.509 16.255 211 H ARG 28 HN ARG 28 10.025 5.490 13.048 212 HA ARG 28 HA ARG 28 7.986 4.097 14.725 213 1HB ARG 28 HB2 ARG 28 6.559 5.997 13.984 214 2HB ARG 28 HB1 ARG 28 8.046 6.554 14.750 215 1HG ARG 28 HG2 ARG 28 9.064 7.006 12.612 216 2HG ARG 28 HG1 ARG 28 7.730 6.233 11.756 217 1HD ARG 28 HD2 ARG 28 6.205 7.978 12.370 218 2HD ARG 28 HD1 ARG 28 7.352 8.648 13.547 219 HE ARG 28 HE ARG 28 8.628 8.544 10.997 220 1HH1 ARG 28 HH11 ARG 28 6.067 10.132 12.685 221 2HH1 ARG 28 HH12 ARG 28 6.231 11.614 11.803 222 1HH2 ARG 28 HH21 ARG 28 8.858 10.473 9.846 223 2HH2 ARG 28 HH22 ARG 28 7.817 11.810 10.204 224 H TYR 29 HN TYR 29 9.361 2.977 12.219 225 HA TYR 29 HA TYR 29 6.939 2.773 10.481 226 1HB TYR 29 HB2 TYR 29 9.877 2.751 10.073 227 2HB TYR 29 HB1 TYR 29 8.939 1.688 9.022 228 HD1 TYR 29 HD1 TYR 29 6.402 3.176 8.767 229 HD2 TYR 29 HD2 TYR 29 10.447 4.567 8.709 230 HE1 TYR 29 HE1 TYR 29 5.703 5.151 7.464 231 HE2 TYR 29 HE2 TYR 29 9.765 6.543 7.402 232 HH TYR 29 HH TYR 29 7.846 7.119 5.819 233 H GLN 30 HN GLN 30 5.840 0.933 10.503 234 HA GLN 30 HA GLN 30 7.166 -1.539 11.570 235 1HB GLN 30 HB2 GLN 30 5.336 -0.586 12.942 236 2HB GLN 30 HB1 GLN 30 4.260 -0.646 11.545 237 1HG GLN 30 HG2 GLN 30 4.656 -3.130 11.439 238 2HG GLN 30 HG1 GLN 30 5.536 -2.999 12.962 239 1HE2 GLN 30 HE21 GLN 30 2.683 -4.086 12.029 240 2HE2 GLN 30 HE22 GLN 30 1.669 -3.512 13.263 241 H LEU 31 HN LEU 31 7.927 -2.107 9.442 242 HA LEU 31 HA LEU 31 5.964 -2.342 7.262 243 1HB LEU 31 HB2 LEU 31 8.877 -3.129 7.301 244 2HB LEU 31 HB1 LEU 31 7.906 -2.624 5.921 245 HG LEU 31 HG LEU 31 7.863 -0.583 7.981 246 1HD1 LEU 31 HD11 LEU 31 10.353 -1.973 7.673 247 2HD1 LEU 31 HD12 LEU 31 10.007 -0.550 8.657 248 3HD1 LEU 31 HD13 LEU 31 10.514 -0.358 6.980 249 1HD2 LEU 31 HD21 LEU 31 9.086 0.530 5.859 250 2HD2 LEU 31 HD22 LEU 31 7.349 0.233 5.898 251 3HD2 LEU 31 HD23 LEU 31 8.417 -0.901 5.073 252 H GLN 32 HN GLN 32 4.943 -4.200 6.764 253 HA GLN 32 HA GLN 32 5.853 -6.763 8.003 254 1HB GLN 32 HB2 GLN 32 3.519 -5.952 8.345 255 2HB GLN 32 HB1 GLN 32 3.286 -5.934 6.596 256 1HG GLN 32 HG2 GLN 32 2.371 -7.996 7.645 257 2HG GLN 32 HG1 GLN 32 3.651 -8.345 6.484 258 1HE2 GLN 32 HE21 GLN 32 5.168 -9.805 7.257 259 2HE2 GLN 32 HE22 GLN 32 5.578 -10.022 8.889 260 H VAL 33 HN VAL 33 7.096 -8.030 6.605 261 HA VAL 33 HA VAL 33 6.813 -7.506 3.685 262 HB VAL 33 HB VAL 33 8.908 -9.036 5.258 263 1HG1 VAL 33 HG11 VAL 33 10.182 -9.049 3.249 264 2HG1 VAL 33 HG12 VAL 33 9.124 -7.869 2.476 265 3HG1 VAL 33 HG13 VAL 33 8.559 -9.516 2.747 266 1HG2 VAL 33 HG21 VAL 33 10.221 -7.048 5.201 267 2HG2 VAL 33 HG22 VAL 33 8.617 -6.519 5.711 268 3HG2 VAL 33 HG23 VAL 33 9.138 -6.277 4.044 269 H CYS 34 HN CYS 34 5.801 -8.939 2.418 270 HA CYS 34 HA CYS 34 5.252 -11.678 3.525 271 1HB CYS 34 HB2 CYS 34 3.784 -9.888 1.561 272 2HB CYS 34 HB1 CYS 34 3.283 -11.534 1.961 273 HG CYS 34 HG CYS 34 2.787 -10.785 4.384 274 H GLU 35 HN GLU 35 6.327 -13.301 2.471 275 HA GLU 35 HA GLU 35 8.067 -12.901 0.270 276 1HB GLU 35 HB2 GLU 35 6.643 -15.390 1.272 277 2HB GLU 35 HB1 GLU 35 8.069 -15.388 0.233 278 1HG GLU 35 HG2 GLU 35 9.155 -13.923 2.077 279 2HG GLU 35 HG1 GLU 35 7.839 -14.494 3.102 280 H SER 36 HN SER 36 4.650 -13.859 0.377 281 HA SER 36 HA SER 36 4.627 -13.910 -2.624 282 1HB SER 36 HB2 SER 36 3.188 -15.324 -0.428 283 2HB SER 36 HB1 SER 36 2.271 -14.993 -1.895 284 HG SER 36 HG SER 36 3.320 -16.567 -2.782 285 H GLY 37 HN GLY 37 1.956 -13.473 -3.070 286 1HA GLY 37 HA2 GLY 37 1.595 -10.664 -2.130 287 2HA GLY 37 HA1 GLY 37 0.828 -11.365 -3.564 288 H GLU 38 HN GLU 38 0.317 -13.877 -2.204 289 HA GLU 38 HA GLU 38 -2.313 -13.450 -1.175 290 1HB GLU 38 HB2 GLU 38 -0.241 -15.652 -1.174 291 2HB GLU 38 HB1 GLU 38 -1.798 -15.878 -0.399 292 1HG GLU 38 HG2 GLU 38 -2.898 -15.237 -2.566 293 2HG GLU 38 HG1 GLU 38 -1.298 -15.225 -3.307 294 H MET 39 HN MET 39 0.888 -13.914 0.250 295 HA MET 39 HA MET 39 0.075 -14.015 2.979 296 1HB MET 39 HB2 MET 39 2.595 -13.395 1.448 297 2HB MET 39 HB1 MET 39 2.576 -13.224 3.203 298 1HG MET 39 HG2 MET 39 1.922 -15.538 3.489 299 2HG MET 39 HG1 MET 39 1.698 -15.735 1.753 300 1HE MET 39 HE1 MET 39 2.744 -17.722 2.289 301 2HE MET 39 HE2 MET 39 4.054 -17.813 3.465 302 3HE MET 39 HE3 MET 39 4.407 -17.983 1.748 303 H LEU 40 HN LEU 40 0.961 -11.349 0.809 304 HA LEU 40 HA LEU 40 0.832 -9.248 2.778 305 1HB LEU 40 HB2 LEU 40 1.799 -8.400 0.881 306 2HB LEU 40 HB1 LEU 40 1.038 -9.617 -0.139 307 HG LEU 40 HG LEU 40 -1.023 -8.327 -0.234 308 1HD1 LEU 40 HD11 LEU 40 0.010 -5.932 1.111 309 2HD1 LEU 40 HD12 LEU 40 -0.223 -7.299 2.203 310 3HD1 LEU 40 HD13 LEU 40 -1.572 -6.695 1.242 311 1HD2 LEU 40 HD21 LEU 40 0.878 -7.722 -1.769 312 2HD2 LEU 40 HD22 LEU 40 1.320 -6.444 -0.634 313 3HD2 LEU 40 HD23 LEU 40 -0.234 -6.389 -1.462 314 H LEU 41 HN LEU 41 -1.535 -10.633 0.501 315 HA LEU 41 HA LEU 41 -3.719 -8.938 1.115 316 1HB LEU 41 HB2 LEU 41 -3.517 -11.857 0.310 317 2HB LEU 41 HB1 LEU 41 -5.023 -10.939 0.277 318 HG LEU 41 HG LEU 41 -2.503 -10.163 -1.218 319 1HD1 LEU 41 HD11 LEU 41 -4.379 -12.182 -1.815 320 2HD1 LEU 41 HD12 LEU 41 -3.177 -11.493 -2.907 321 3HD1 LEU 41 HD13 LEU 41 -4.805 -10.816 -2.845 322 1HD2 LEU 41 HD21 LEU 41 -4.201 -8.660 -2.382 323 2HD2 LEU 41 HD22 LEU 41 -3.806 -8.219 -0.725 324 3HD2 LEU 41 HD23 LEU 41 -5.316 -9.059 -1.081 325 H GLU 42 HN GLU 42 -2.845 -12.104 2.563 326 HA GLU 42 HA GLU 42 -4.955 -12.272 4.443 327 1HB GLU 42 HB2 GLU 42 -3.240 -14.007 3.785 328 2HB GLU 42 HB1 GLU 42 -2.078 -13.158 4.808 329 1HG GLU 42 HG2 GLU 42 -3.712 -13.411 6.720 330 2HG GLU 42 HG1 GLU 42 -4.672 -14.459 5.677 331 H TYR 43 HN TYR 43 -1.762 -10.671 4.740 332 HA TYR 43 HA TYR 43 -1.952 -9.970 7.496 333 1HB TYR 43 HB2 TYR 43 0.123 -9.713 6.346 334 2HB TYR 43 HB1 TYR 43 -0.622 -8.753 5.067 335 HD1 TYR 43 HD1 TYR 43 0.957 -6.888 5.372 336 HD2 TYR 43 HD2 TYR 43 -1.546 -8.253 8.580 337 HE1 TYR 43 HE1 TYR 43 1.433 -4.809 6.632 338 HE2 TYR 43 HE2 TYR 43 -1.072 -6.172 9.840 339 HH TYR 43 HH TYR 43 0.748 -4.438 9.906 340 H ALA 44 HN ALA 44 -3.010 -8.220 4.569 341 HA ALA 44 HA ALA 44 -4.005 -5.912 5.949 342 1HB ALA 44 HB1 ALA 44 -5.422 -6.081 3.619 343 2HB ALA 44 HB2 ALA 44 -4.078 -7.172 3.277 344 3HB ALA 44 HB3 ALA 44 -3.763 -5.493 3.722 345 H GLN 45 HN GLN 45 -5.389 -9.104 5.358 346 HA GLN 45 HA GLN 45 -8.161 -8.525 5.737 347 1HB GLN 45 HB2 GLN 45 -6.636 -10.965 6.698 348 2HB GLN 45 HB1 GLN 45 -8.326 -10.892 6.210 349 1HG GLN 45 HG2 GLN 45 -5.882 -10.666 4.479 350 2HG GLN 45 HG1 GLN 45 -7.182 -11.837 4.359 351 1HE2 GLN 45 HE21 GLN 45 -6.288 -9.951 2.226 352 2HE2 GLN 45 HE22 GLN 45 -7.642 -8.995 1.853 353 H THR 46 HN THR 46 -5.476 -8.786 7.965 354 HA THR 46 HA THR 46 -7.217 -8.892 10.348 355 HB THR 46 HB THR 46 -5.142 -9.253 11.476 356 HG1 THR 46 HG1 THR 46 -3.767 -8.362 9.176 357 1HG2 THR 46 HG21 THR 46 -4.110 -11.017 10.201 358 2HG2 THR 46 HG22 THR 46 -4.668 -10.314 8.681 359 3HG2 THR 46 HG23 THR 46 -5.828 -11.024 9.803 360 H HIS 47 HN HIS 47 -5.383 -6.636 8.447 361 HA HIS 47 HA HIS 47 -6.475 -4.397 10.056 362 1HB HIS 47 HB2 HIS 47 -3.627 -5.229 9.707 363 2HB HIS 47 HB1 HIS 47 -3.971 -3.496 9.682 364 HD1 HIS 47 HD1 HIS 47 -2.578 -5.239 12.077 365 HD2 HIS 47 HD2 HIS 47 -6.447 -3.696 11.976 366 HE1 HIS 47 HE1 HIS 47 -3.339 -5.058 14.488 367 H ARG 48 HN ARG 48 -7.707 -3.547 8.383 368 HA ARG 48 HA ARG 48 -6.539 -3.345 5.656 369 1HB ARG 48 HB2 ARG 48 -9.184 -2.176 6.404 370 2HB ARG 48 HB1 ARG 48 -8.739 -3.094 4.973 371 1HG ARG 48 HG2 ARG 48 -8.574 -5.134 6.493 372 2HG ARG 48 HG1 ARG 48 -9.364 -4.152 7.729 373 1HD ARG 48 HD2 ARG 48 -11.384 -4.075 6.572 374 2HD ARG 48 HD1 ARG 48 -10.600 -4.271 4.992 375 HE ARG 48 HE ARG 48 -10.609 -6.614 5.323 376 1HH1 ARG 48 HH11 ARG 48 -11.294 -4.883 8.237 377 2HH1 ARG 48 HH12 ARG 48 -11.619 -6.312 9.155 378 1HH2 ARG 48 HH21 ARG 48 -11.025 -8.476 6.514 379 2HH2 ARG 48 HH22 ARG 48 -11.464 -8.344 8.185 380 H ASP 49 HN ASP 49 -8.157 -1.271 8.015 381 HA ASP 49 HA ASP 49 -7.141 1.196 6.783 382 1HB ASP 49 HB2 ASP 49 -9.428 0.772 7.824 383 2HB ASP 49 HB1 ASP 49 -8.621 0.778 9.393 384 H GLN 50 HN GLN 50 -6.321 -0.889 9.498 385 HA GLN 50 HA GLN 50 -4.750 0.983 11.005 386 1HB GLN 50 HB2 GLN 50 -4.733 -2.029 10.694 387 2HB GLN 50 HB1 GLN 50 -3.740 -1.183 11.884 388 1HG GLN 50 HG2 GLN 50 -6.763 -1.033 11.669 389 2HG GLN 50 HG1 GLN 50 -5.856 -1.900 12.909 390 1HE2 GLN 50 HE21 GLN 50 -7.673 0.671 12.899 391 2HE2 GLN 50 HE22 GLN 50 -6.757 1.775 13.807 392 H ILE 51 HN ILE 51 -4.187 -0.657 8.012 393 HA ILE 51 HA ILE 51 -1.280 -0.576 8.095 394 HB ILE 51 HB ILE 51 -3.069 -0.589 5.660 395 1HG1 ILE 51 HG12 ILE 51 -4.094 -2.224 7.037 396 2HG1 ILE 51 HG11 ILE 51 -2.988 -3.143 6.017 397 1HG2 ILE 51 HG21 ILE 51 -1.265 -2.050 4.795 398 2HG2 ILE 51 HG22 ILE 51 -0.417 -1.898 6.334 399 3HG2 ILE 51 HG23 ILE 51 -0.635 -0.481 5.305 400 1HD1 ILE 51 HD11 ILE 51 -2.614 -2.331 8.907 401 2HD1 ILE 51 HD12 ILE 51 -1.272 -2.884 7.906 402 3HD1 ILE 51 HD13 ILE 51 -2.631 -3.958 8.234 403 H ASP 52 HN ASP 52 -0.193 1.321 8.084 404 HA ASP 52 HA ASP 52 -1.465 3.810 7.305 405 1HB ASP 52 HB2 ASP 52 1.155 2.865 8.413 406 2HB ASP 52 HB1 ASP 52 1.001 4.528 7.861 407 H CYS 53 HN CYS 53 0.527 1.480 5.657 408 HA CYS 53 HA CYS 53 0.355 2.991 3.176 409 1HB CYS 53 HB2 CYS 53 2.333 3.696 5.032 410 2HB CYS 53 HB1 CYS 53 3.177 2.742 3.816 411 HG CYS 53 HG CYS 53 1.874 5.491 3.347 412 H LEU 54 HN LEU 54 0.236 1.367 1.648 413 HA LEU 54 HA LEU 54 1.652 -1.205 2.281 414 1HB LEU 54 HB2 LEU 54 -0.887 -0.962 1.841 415 2HB LEU 54 HB1 LEU 54 -0.437 -0.732 0.151 416 HG LEU 54 HG LEU 54 0.586 -3.083 1.745 417 1HD1 LEU 54 HD11 LEU 54 -1.839 -3.209 1.888 418 2HD1 LEU 54 HD12 LEU 54 -1.277 -4.390 0.702 419 3HD1 LEU 54 HD13 LEU 54 -1.989 -2.867 0.164 420 1HD2 LEU 54 HD21 LEU 54 0.269 -2.407 -1.186 421 2HD2 LEU 54 HD22 LEU 54 0.615 -4.041 -0.623 422 3HD2 LEU 54 HD23 LEU 54 1.761 -2.741 -0.309 423 H ILE 55 HN ILE 55 3.344 -1.878 0.959 424 HA ILE 55 HA ILE 55 4.002 -0.094 -1.352 425 HB ILE 55 HB ILE 55 5.656 -2.195 0.050 426 1HG1 ILE 55 HG12 ILE 55 5.822 0.780 0.502 427 2HG1 ILE 55 HG11 ILE 55 4.760 -0.238 1.479 428 1HG2 ILE 55 HG21 ILE 55 7.532 -1.112 -1.009 429 2HG2 ILE 55 HG22 ILE 55 6.508 0.202 -1.590 430 3HG2 ILE 55 HG23 ILE 55 6.331 -1.419 -2.263 431 1HD1 ILE 55 HD11 ILE 55 7.480 0.201 1.928 432 2HD1 ILE 55 HD12 ILE 55 7.415 -1.403 1.201 433 3HD1 ILE 55 HD13 ILE 55 6.495 -1.060 2.666 434 H LEU 56 HN LEU 56 4.243 -0.946 -3.411 435 HA LEU 56 HA LEU 56 3.837 -3.882 -3.745 436 1HB LEU 56 HB2 LEU 56 2.252 -1.575 -4.875 437 2HB LEU 56 HB1 LEU 56 2.213 -3.182 -5.591 438 HG LEU 56 HG LEU 56 1.523 -2.507 -2.719 439 1HD1 LEU 56 HD11 LEU 56 -0.536 -3.821 -4.254 440 2HD1 LEU 56 HD12 LEU 56 -0.015 -2.355 -5.084 441 3HD1 LEU 56 HD13 LEU 56 -0.599 -2.268 -3.422 442 1HD2 LEU 56 HD21 LEU 56 2.301 -4.978 -4.026 443 2HD2 LEU 56 HD22 LEU 56 0.655 -5.097 -3.407 444 3HD2 LEU 56 HD23 LEU 56 1.980 -4.679 -2.318 445 H VAL 57 HN VAL 57 4.639 -4.689 -5.738 446 HA VAL 57 HA VAL 57 6.523 -2.837 -7.167 447 HB VAL 57 HB VAL 57 6.544 -5.817 -6.550 448 1HG1 VAL 57 HG11 VAL 57 7.752 -6.092 -8.435 449 2HG1 VAL 57 HG12 VAL 57 9.005 -5.109 -7.674 450 3HG1 VAL 57 HG13 VAL 57 7.807 -4.354 -8.725 451 1HG2 VAL 57 HG21 VAL 57 7.992 -5.281 -4.891 452 2HG2 VAL 57 HG22 VAL 57 7.433 -3.621 -5.102 453 3HG2 VAL 57 HG23 VAL 57 8.890 -4.174 -5.928 454 H ALA 58 HN ALA 58 5.202 -2.201 -8.909 455 HA ALA 58 HA ALA 58 3.211 -3.741 -10.196 456 1HB ALA 58 HB1 ALA 58 4.024 -1.211 -10.273 457 2HB ALA 58 HB2 ALA 58 3.111 -1.913 -11.609 458 3HB ALA 58 HB3 ALA 58 4.866 -1.771 -11.717 459 H ALA 59 HN ALA 59 6.652 -3.970 -10.430 460 HA ALA 59 HA ALA 59 7.022 -4.951 -13.054 461 1HB ALA 59 HB1 ALA 59 9.084 -5.848 -12.126 462 2HB ALA 59 HB2 ALA 59 8.406 -5.812 -10.500 463 3HB ALA 59 HB3 ALA 59 8.739 -4.302 -11.349 464 H ASN 60 HN ASN 60 5.537 -6.539 -10.284 465 HA ASN 60 HA ASN 60 5.910 -9.255 -11.270 466 1HB ASN 60 HB2 ASN 60 4.436 -7.825 -9.112 467 2HB ASN 60 HB1 ASN 60 3.865 -9.438 -9.536 468 1HD2 ASN 60 HD21 ASN 60 5.820 -11.105 -9.764 469 2HD2 ASN 60 HD22 ASN 60 6.994 -11.009 -8.543 470 HA PRO 61 HA PRO 61 2.519 -9.404 -14.060 471 1HB PRO 61 HB2 PRO 61 2.028 -12.088 -14.053 472 2HB PRO 61 HB1 PRO 61 3.451 -11.364 -14.826 473 1HG PRO 61 HG2 PRO 61 3.245 -12.878 -12.311 474 2HG PRO 61 HG1 PRO 61 4.618 -12.680 -13.407 475 1HD PRO 61 HD2 PRO 61 4.211 -11.348 -10.952 476 2HD PRO 61 HD1 PRO 61 5.452 -10.988 -12.171 477 H SER 62 HN SER 62 1.765 -11.871 -11.579 478 HA SER 62 HA SER 62 -1.071 -11.317 -11.650 479 1HB SER 62 HB2 SER 62 -0.038 -12.588 -9.225 480 2HB SER 62 HB1 SER 62 -1.115 -13.239 -10.458 481 HG SER 62 HG SER 62 0.573 -14.335 -11.060 482 H PHE 63 HN PHE 63 1.382 -9.448 -10.396 483 HA PHE 63 HA PHE 63 0.645 -8.683 -7.821 484 1HB PHE 63 HB2 PHE 63 2.586 -7.715 -8.650 485 2HB PHE 63 HB1 PHE 63 1.858 -7.359 -10.218 486 HD1 PHE 63 HD1 PHE 63 1.238 -6.506 -6.617 487 HD2 PHE 63 HD2 PHE 63 1.482 -5.120 -10.667 488 HE1 PHE 63 HE1 PHE 63 0.697 -4.224 -5.863 489 HE2 PHE 63 HE2 PHE 63 0.954 -2.820 -9.914 490 HZ PHE 63 HZ PHE 63 0.552 -2.367 -7.503 491 H ARG 64 HN ARG 64 -0.669 -7.305 -10.884 492 HA ARG 64 HA ARG 64 -2.493 -5.467 -9.741 493 1HB ARG 64 HB2 ARG 64 -2.319 -7.073 -12.269 494 2HB ARG 64 HB1 ARG 64 -3.813 -6.191 -11.940 495 1HG ARG 64 HG2 ARG 64 -2.549 -4.604 -13.107 496 2HG ARG 64 HG1 ARG 64 -2.222 -4.187 -11.425 497 1HD ARG 64 HD2 ARG 64 -0.015 -4.636 -11.686 498 2HD ARG 64 HD1 ARG 64 -0.380 -6.236 -12.364 499 HE ARG 64 HE ARG 64 -0.964 -4.051 -14.210 500 1HH1 ARG 64 HH11 ARG 64 1.408 -6.214 -12.947 501 2HH1 ARG 64 HH12 ARG 64 2.380 -6.191 -14.378 502 1HH2 ARG 64 HH21 ARG 64 0.302 -4.002 -16.080 503 2HH2 ARG 64 HH22 ARG 64 1.763 -4.931 -16.143 504 H ALA 65 HN ALA 65 -2.753 -8.951 -10.231 505 HA ALA 65 HA ALA 65 -5.544 -9.219 -9.566 506 1HB ALA 65 HB1 ALA 65 -3.974 -10.855 -10.744 507 2HB ALA 65 HB2 ALA 65 -4.961 -11.578 -9.472 508 3HB ALA 65 HB3 ALA 65 -3.269 -11.193 -9.164 509 H VAL 66 HN VAL 66 -2.545 -9.375 -7.686 510 HA VAL 66 HA VAL 66 -3.752 -10.079 -5.173 511 HB VAL 66 HB VAL 66 -1.216 -8.629 -5.988 512 1HG1 VAL 66 HG11 VAL 66 -0.902 -9.954 -3.500 513 2HG1 VAL 66 HG12 VAL 66 -2.365 -8.974 -3.381 514 3HG1 VAL 66 HG13 VAL 66 -0.833 -8.221 -3.815 515 1HG2 VAL 66 HG21 VAL 66 -0.391 -10.681 -6.430 516 2HG2 VAL 66 HG22 VAL 66 -2.039 -11.289 -6.284 517 3HG2 VAL 66 HG23 VAL 66 -0.967 -11.307 -4.884 518 H VAL 67 HN VAL 67 -2.941 -6.980 -6.720 519 HA VAL 67 HA VAL 67 -3.628 -5.265 -4.544 520 HB VAL 67 HB VAL 67 -3.878 -4.787 -7.530 521 1HG1 VAL 67 HG11 VAL 67 -3.649 -3.032 -5.093 522 2HG1 VAL 67 HG12 VAL 67 -4.771 -2.903 -6.447 523 3HG1 VAL 67 HG13 VAL 67 -3.078 -2.460 -6.660 524 1HG2 VAL 67 HG21 VAL 67 -1.423 -4.000 -6.060 525 2HG2 VAL 67 HG22 VAL 67 -1.599 -4.648 -7.692 526 3HG2 VAL 67 HG23 VAL 67 -1.640 -5.733 -6.304 527 H GLN 68 HN GLN 68 -5.635 -6.324 -7.367 528 HA GLN 68 HA GLN 68 -7.992 -4.943 -6.516 529 1HB GLN 68 HB2 GLN 68 -9.116 -6.465 -8.090 530 2HB GLN 68 HB1 GLN 68 -7.591 -5.904 -8.769 531 1HG GLN 68 HG2 GLN 68 -6.496 -7.976 -8.180 532 2HG GLN 68 HG1 GLN 68 -7.923 -8.535 -7.304 533 1HE2 GLN 68 HE21 GLN 68 -9.701 -9.379 -8.542 534 2HE2 GLN 68 HE22 GLN 68 -9.619 -9.604 -10.223 535 H GLN 69 HN GLN 69 -6.560 -8.011 -5.548 536 HA GLN 69 HA GLN 69 -8.797 -9.179 -4.207 537 1HB GLN 69 HB2 GLN 69 -6.523 -10.176 -4.765 538 2HB GLN 69 HB1 GLN 69 -5.870 -9.261 -3.407 539 1HG GLN 69 HG2 GLN 69 -6.763 -10.672 -1.870 540 2HG GLN 69 HG1 GLN 69 -8.285 -10.807 -2.752 541 1HE2 GLN 69 HE21 GLN 69 -7.991 -13.222 -2.190 542 2HE2 GLN 69 HE22 GLN 69 -7.043 -14.160 -3.239 543 H LEU 70 HN LEU 70 -6.291 -6.881 -3.105 544 HA LEU 70 HA LEU 70 -7.093 -6.624 -0.384 545 1HB LEU 70 HB2 LEU 70 -5.697 -4.975 -2.460 546 2HB LEU 70 HB1 LEU 70 -6.193 -4.160 -0.978 547 HG LEU 70 HG LEU 70 -4.929 -6.743 -0.444 548 1HD1 LEU 70 HD11 LEU 70 -2.675 -6.120 -1.086 549 2HD1 LEU 70 HD12 LEU 70 -3.235 -4.566 -1.700 550 3HD1 LEU 70 HD13 LEU 70 -3.695 -6.056 -2.525 551 1HD2 LEU 70 HD21 LEU 70 -5.156 -4.060 0.622 552 2HD2 LEU 70 HD22 LEU 70 -3.473 -4.584 0.634 553 3HD2 LEU 70 HD23 LEU 70 -4.702 -5.546 1.455 554 H CYS 71 HN CYS 71 -8.045 -4.761 -3.262 555 HA CYS 71 HA CYS 71 -9.962 -3.051 -2.046 556 1HB CYS 71 HB2 CYS 71 -9.725 -4.262 -4.811 557 2HB CYS 71 HB1 CYS 71 -10.786 -2.909 -4.421 558 HG CYS 71 HG CYS 71 -7.692 -2.789 -4.547 559 H PHE 72 HN PHE 72 -10.232 -6.404 -3.174 560 HA PHE 72 HA PHE 72 -13.042 -6.651 -3.351 561 1HB PHE 72 HB2 PHE 72 -11.117 -8.285 -3.885 562 2HB PHE 72 HB1 PHE 72 -11.181 -8.732 -2.180 563 HD1 PHE 72 HD1 PHE 72 -14.407 -7.959 -2.456 564 HD2 PHE 72 HD2 PHE 72 -11.680 -10.775 -4.212 565 HE1 PHE 72 HE1 PHE 72 -16.296 -9.488 -2.932 566 HE2 PHE 72 HE2 PHE 72 -13.570 -12.306 -4.687 567 HZ PHE 72 HZ PHE 72 -15.879 -11.664 -4.047 568 H GLU 73 HN GLU 73 -11.019 -7.437 -0.463 569 HA GLU 73 HA GLU 73 -13.333 -7.629 1.282 570 1HB GLU 73 HB2 GLU 73 -10.363 -7.226 1.802 571 2HB GLU 73 HB1 GLU 73 -11.549 -7.623 3.046 572 1HG GLU 73 HG2 GLU 73 -11.734 -9.413 0.750 573 2HG GLU 73 HG1 GLU 73 -10.137 -9.449 1.496 574 H GLY 74 HN GLY 74 -11.650 -5.029 -0.127 575 1HA GLY 74 HA2 GLY 74 -12.447 -2.757 0.054 576 2HA GLY 74 HA1 GLY 74 -13.056 -3.126 1.666 577 H VAL 75 HN VAL 75 -9.975 -4.472 1.348 578 HA VAL 75 HA VAL 75 -8.854 -2.595 3.234 579 HB VAL 75 HB VAL 75 -7.534 -4.680 1.466 580 1HG1 VAL 75 HG11 VAL 75 -6.266 -4.445 3.979 581 2HG1 VAL 75 HG12 VAL 75 -6.503 -2.796 3.403 582 3HG1 VAL 75 HG13 VAL 75 -5.621 -3.955 2.412 583 1HG2 VAL 75 HG21 VAL 75 -9.426 -5.498 2.925 584 2HG2 VAL 75 HG22 VAL 75 -8.520 -4.921 4.324 585 3HG2 VAL 75 HG23 VAL 75 -7.862 -6.210 3.315 586 H VAL 76 HN VAL 76 -9.129 -0.537 2.089 587 HA VAL 76 HA VAL 76 -7.300 -0.129 -0.248 588 HB VAL 76 HB VAL 76 -9.353 1.774 0.923 589 1HG1 VAL 76 HG11 VAL 76 -8.468 3.054 -0.722 590 2HG1 VAL 76 HG12 VAL 76 -9.301 1.981 -1.848 591 3HG1 VAL 76 HG13 VAL 76 -7.612 1.687 -1.432 592 1HG2 VAL 76 HG21 VAL 76 -11.017 0.411 0.247 593 2HG2 VAL 76 HG22 VAL 76 -9.832 -0.802 -0.236 594 3HG2 VAL 76 HG23 VAL 76 -10.357 0.424 -1.389 595 H VAL 77 HN VAL 77 -5.396 0.997 0.119 596 HA VAL 77 HA VAL 77 -5.148 2.690 2.589 597 HB VAL 77 HB VAL 77 -2.896 1.462 2.853 598 1HG1 VAL 77 HG11 VAL 77 -5.569 0.122 3.246 599 2HG1 VAL 77 HG12 VAL 77 -4.570 0.942 4.447 600 3HG1 VAL 77 HG13 VAL 77 -4.068 -0.621 3.801 601 1HG2 VAL 77 HG21 VAL 77 -2.964 0.513 0.531 602 2HG2 VAL 77 HG22 VAL 77 -4.311 -0.511 1.030 603 3HG2 VAL 77 HG23 VAL 77 -2.725 -0.720 1.768 604 HA PRO 78 HA PRO 78 -2.573 5.237 0.021 605 1HB PRO 78 HB2 PRO 78 -0.502 5.876 1.707 606 2HB PRO 78 HB1 PRO 78 -2.119 6.590 1.870 607 1HG PRO 78 HG2 PRO 78 -0.896 4.320 3.361 608 2HG PRO 78 HG1 PRO 78 -1.872 5.667 3.975 609 1HD PRO 78 HD2 PRO 78 -2.912 3.211 3.578 610 2HD PRO 78 HD1 PRO 78 -3.864 4.691 3.314 611 H ALA 79 HN ALA 79 -2.065 3.294 -1.275 612 HA ALA 79 HA ALA 79 0.358 1.782 -0.529 613 1HB ALA 79 HB1 ALA 79 -1.871 0.848 -1.331 614 2HB ALA 79 HB2 ALA 79 -0.444 0.243 -2.174 615 3HB ALA 79 HB3 ALA 79 -1.456 1.476 -2.927 616 H ILE 80 HN ILE 80 2.302 1.951 -1.557 617 HA ILE 80 HA ILE 80 2.604 4.002 -3.703 618 HB ILE 80 HB ILE 80 4.644 2.533 -1.981 619 1HG1 ILE 80 HG12 ILE 80 3.693 5.376 -1.594 620 2HG1 ILE 80 HG11 ILE 80 2.880 4.028 -0.799 621 1HG2 ILE 80 HG21 ILE 80 4.821 4.402 -4.201 622 2HG2 ILE 80 HG22 ILE 80 6.108 3.501 -3.400 623 3HG2 ILE 80 HG23 ILE 80 5.588 5.058 -2.756 624 1HD1 ILE 80 HD11 ILE 80 4.520 3.850 0.743 625 2HD1 ILE 80 HD12 ILE 80 5.162 5.371 0.124 626 3HD1 ILE 80 HD13 ILE 80 5.771 3.839 -0.501 627 H VAL 81 HN VAL 81 3.193 3.307 -5.795 628 HA VAL 81 HA VAL 81 3.541 0.353 -6.139 629 HB VAL 81 HB VAL 81 2.627 2.583 -7.976 630 1HG1 VAL 81 HG11 VAL 81 2.777 1.161 -9.724 631 2HG1 VAL 81 HG12 VAL 81 2.052 -0.152 -8.797 632 3HG1 VAL 81 HG13 VAL 81 3.786 0.145 -8.694 633 1HG2 VAL 81 HG21 VAL 81 1.264 1.362 -5.941 634 2HG2 VAL 81 HG22 VAL 81 0.881 0.293 -7.293 635 3HG2 VAL 81 HG23 VAL 81 0.493 2.011 -7.390 636 H VAL 82 HN VAL 82 5.418 -0.442 -7.027 637 HA VAL 82 HA VAL 82 7.491 1.542 -7.913 638 HB VAL 82 HB VAL 82 7.877 -1.306 -6.954 639 1HG1 VAL 82 HG11 VAL 82 10.126 -0.728 -6.690 640 2HG1 VAL 82 HG12 VAL 82 9.775 0.999 -6.604 641 3HG1 VAL 82 HG13 VAL 82 9.692 0.157 -8.152 642 1HG2 VAL 82 HG21 VAL 82 8.363 -0.262 -4.720 643 2HG2 VAL 82 HG22 VAL 82 6.667 -0.163 -5.194 644 3HG2 VAL 82 HG23 VAL 82 7.708 1.254 -5.341 645 H GLY 83 HN GLY 83 8.298 1.324 -10.005 646 1HA GLY 83 HA2 GLY 83 9.015 -0.153 -11.857 647 2HA GLY 83 HA1 GLY 83 7.641 -1.187 -11.489 648 H ASP 84 HN ASP 84 8.649 0.801 -13.812 649 HA ASP 84 HA ASP 84 5.881 1.485 -14.635 650 1HB ASP 84 HB2 ASP 84 6.619 3.866 -15.021 651 2HB ASP 84 HB1 ASP 84 6.576 3.406 -13.320 652 H ARG 85 HN ARG 85 5.729 1.843 -16.941 653 HA ARG 85 HA ARG 85 7.664 0.475 -18.575 654 1HB ARG 85 HB2 ARG 85 5.473 2.465 -19.265 655 2HB ARG 85 HB1 ARG 85 6.261 1.395 -20.418 656 1HG ARG 85 HG2 ARG 85 4.659 0.507 -18.002 657 2HG ARG 85 HG1 ARG 85 4.109 0.457 -19.675 658 1HD ARG 85 HD2 ARG 85 6.022 -1.069 -20.221 659 2HD ARG 85 HD1 ARG 85 6.433 -1.104 -18.494 660 HE ARG 85 HE ARG 85 3.643 -1.646 -18.783 661 1HH1 ARG 85 HH11 ARG 85 6.754 -3.011 -19.419 662 2HH1 ARG 85 HH12 ARG 85 6.209 -4.647 -19.253 663 1HH2 ARG 85 HH21 ARG 85 2.926 -3.771 -18.579 664 2HH2 ARG 85 HH22 ARG 85 4.045 -5.078 -18.776 665 H ASP 86 HN ASP 86 9.084 1.440 -20.197 666 HA ASP 86 HA ASP 86 10.079 4.142 -19.386 667 1HB ASP 86 HB2 ASP 86 11.326 1.882 -20.988 668 2HB ASP 86 HB1 ASP 86 12.152 3.365 -20.506 669 H SER 87 HN SER 87 7.816 3.231 -21.413 670 HA SER 87 HA SER 87 8.794 4.984 -23.643 671 1HB SER 87 HB2 SER 87 7.218 2.396 -23.744 672 2HB SER 87 HB1 SER 87 7.533 3.418 -25.144 673 HG SER 87 HG SER 87 9.834 3.181 -24.413 674 H GLU 88 HN GLU 88 7.051 6.111 -24.791 675 HA GLU 88 HA GLU 88 4.800 6.794 -23.004 676 1HB GLU 88 HB2 GLU 88 4.604 8.692 -24.434 677 2HB GLU 88 HB1 GLU 88 6.334 8.402 -24.303 678 1HG GLU 88 HG2 GLU 88 6.231 7.102 -26.436 679 2HG GLU 88 HG1 GLU 88 4.529 7.548 -26.583 680 H ASP 89 HN ASP 89 5.261 4.301 -25.006 681 HA ASP 89 HA ASP 89 3.301 4.244 -26.992 682 1HB ASP 89 HB2 ASP 89 5.008 2.470 -26.153 683 2HB ASP 89 HB1 ASP 89 3.732 1.974 -25.041 684 HA PRO 90 HA PRO 90 -0.261 4.967 -24.396 685 1HB PRO 90 HB2 PRO 90 -2.082 5.058 -26.443 686 2HB PRO 90 HB1 PRO 90 -1.018 6.419 -26.040 687 1HG PRO 90 HG2 PRO 90 -0.783 4.415 -28.221 688 2HG PRO 90 HG1 PRO 90 -0.390 6.140 -28.226 689 1HD PRO 90 HD2 PRO 90 1.474 4.139 -28.006 690 2HD PRO 90 HD1 PRO 90 1.709 5.792 -27.396 691 H ASP 91 HN ASP 91 0.464 2.387 -26.520 692 HA ASP 91 HA ASP 91 -1.861 0.744 -26.303 693 1HB ASP 91 HB2 ASP 91 1.085 0.085 -26.613 694 2HB ASP 91 HB1 ASP 91 -0.244 -1.008 -27.001 695 H GLU 92 HN GLU 92 0.939 1.174 -24.144 696 HA GLU 92 HA GLU 92 -0.485 -0.476 -22.097 697 1HB GLU 92 HB2 GLU 92 2.177 -0.904 -23.397 698 2HB GLU 92 HB1 GLU 92 2.005 -1.339 -21.698 699 1HG GLU 92 HG2 GLU 92 0.273 -2.899 -22.162 700 2HG GLU 92 HG1 GLU 92 0.027 -2.262 -23.787 701 HA PRO 93 HA PRO 93 1.352 3.398 -20.359 702 1HB PRO 93 HB2 PRO 93 -0.910 4.243 -19.088 703 2HB PRO 93 HB1 PRO 93 -0.567 4.621 -20.786 704 1HG PRO 93 HG2 PRO 93 -2.384 2.576 -19.630 705 2HG PRO 93 HG1 PRO 93 -2.583 3.574 -21.078 706 1HD PRO 93 HD2 PRO 93 -1.819 0.938 -21.104 707 2HD PRO 93 HD1 PRO 93 -1.454 2.101 -22.396 708 H ALA 94 HN ALA 94 0.450 4.113 -17.852 709 HA ALA 94 HA ALA 94 0.090 1.879 -16.033 710 1HB ALA 94 HB1 ALA 94 2.512 2.477 -15.062 711 2HB ALA 94 HB2 ALA 94 2.806 2.916 -16.744 712 3HB ALA 94 HB3 ALA 94 2.311 1.273 -16.337 713 H LYS 95 HN LYS 95 -1.491 3.310 -15.103 714 HA LYS 95 HA LYS 95 -0.504 5.157 -13.106 715 1HB LYS 95 HB2 LYS 95 -1.344 7.221 -14.206 716 2HB LYS 95 HB1 LYS 95 -0.064 6.458 -15.150 717 1HG LYS 95 HG2 LYS 95 -1.939 5.262 -16.431 718 2HG LYS 95 HG1 LYS 95 -3.042 6.408 -15.666 719 1HD LYS 95 HD2 LYS 95 -1.327 8.203 -16.535 720 2HD LYS 95 HD1 LYS 95 -0.856 6.931 -17.659 721 1HE LYS 95 HE2 LYS 95 -2.567 7.816 -18.923 722 2HE LYS 95 HE1 LYS 95 -3.581 6.805 -17.873 723 1HZ LYS 95 HZ1 LYS 95 -4.068 8.568 -16.487 724 2HZ LYS 95 HZ2 LYS 95 -4.055 9.329 -18.006 725 3HZ LYS 95 HZ3 LYS 95 -2.717 9.473 -16.969 726 H GLU 96 HN GLU 96 -2.044 5.089 -11.532 727 HA GLU 96 HA GLU 96 -4.138 4.811 -10.472 728 1HB GLU 96 HB2 GLU 96 -4.999 5.992 -13.131 729 2HB GLU 96 HB1 GLU 96 -5.980 5.960 -11.669 730 1HG GLU 96 HG2 GLU 96 -4.239 7.306 -10.505 731 2HG GLU 96 HG1 GLU 96 -3.329 7.391 -12.014 732 H GLN 97 HN GLN 97 -3.173 2.430 -11.861 733 HA GLN 97 HA GLN 97 -5.824 1.266 -12.656 734 1HB GLN 97 HB2 GLN 97 -4.839 0.295 -14.586 735 2HB GLN 97 HB1 GLN 97 -4.200 1.938 -14.547 736 1HG GLN 97 HG2 GLN 97 -2.134 1.155 -13.512 737 2HG GLN 97 HG1 GLN 97 -2.773 -0.483 -13.404 738 1HE2 GLN 97 HE21 GLN 97 -1.611 -1.675 -14.925 739 2HE2 GLN 97 HE22 GLN 97 -1.382 -1.216 -16.543 740 H LEU 98 HN LEU 98 -2.627 0.734 -11.253 741 HA LEU 98 HA LEU 98 -2.950 -2.120 -10.870 742 1HB LEU 98 HB2 LEU 98 -1.154 -0.064 -9.533 743 2HB LEU 98 HB1 LEU 98 -0.891 -1.809 -9.551 744 HG LEU 98 HG LEU 98 -1.110 -0.132 -12.065 745 1HD1 LEU 98 HD11 LEU 98 1.196 -0.761 -10.285 746 2HD1 LEU 98 HD12 LEU 98 0.903 0.667 -11.275 747 3HD1 LEU 98 HD13 LEU 98 1.472 -0.827 -12.022 748 1HD2 LEU 98 HD21 LEU 98 -0.840 -2.986 -11.431 749 2HD2 LEU 98 HD22 LEU 98 0.364 -2.408 -12.580 750 3HD2 LEU 98 HD23 LEU 98 -1.354 -2.215 -12.932 751 H TYR 99 HN TYR 99 -3.362 0.756 -8.830 752 HA TYR 99 HA TYR 99 -4.932 -0.936 -6.936 753 1HB TYR 99 HB2 TYR 99 -2.475 -0.017 -6.390 754 2HB TYR 99 HB1 TYR 99 -3.374 1.442 -5.989 755 HD1 TYR 99 HD1 TYR 99 -1.822 -0.088 -3.939 756 HD2 TYR 99 HD2 TYR 99 -5.890 -0.507 -5.260 757 HE1 TYR 99 HE1 TYR 99 -2.439 -1.059 -1.741 758 HE2 TYR 99 HE2 TYR 99 -6.500 -1.476 -3.061 759 HH TYR 99 HH TYR 99 -4.695 -2.814 -1.074 760 H HIS 100 HN HIS 100 -5.446 1.596 -5.355 761 HA HIS 100 HA HIS 100 -7.719 2.504 -6.968 762 1HB HIS 100 HB2 HIS 100 -8.004 4.023 -4.896 763 2HB HIS 100 HB1 HIS 100 -8.135 2.285 -4.658 764 HD2 HIS 100 HD2 HIS 100 -6.149 1.161 -3.007 765 HE1 HIS 100 HE1 HIS 100 -3.982 4.734 -2.341 766 HE2 HIS 100 HE2 HIS 100 -4.247 2.319 -1.687 767 H SER 101 HN SER 101 -8.068 5.069 -6.800 768 HA SER 101 HA SER 101 -6.055 6.256 -8.528 769 1HB SER 101 HB2 SER 101 -8.670 6.538 -8.293 770 2HB SER 101 HB1 SER 101 -8.232 7.778 -7.122 771 HG SER 101 HG SER 101 -7.307 8.943 -8.681 772 H ALA 102 HN ALA 102 -5.830 5.744 -5.296 773 HA ALA 102 HA ALA 102 -4.646 8.432 -4.723 774 1HB ALA 102 HB1 ALA 102 -5.960 8.184 -2.908 775 2HB ALA 102 HB2 ALA 102 -4.831 6.944 -2.367 776 3HB ALA 102 HB3 ALA 102 -6.266 6.488 -3.286 777 H GLU 103 HN GLU 103 -3.889 4.978 -4.877 778 HA GLU 103 HA GLU 103 -1.591 4.668 -3.402 779 1HB GLU 103 HB2 GLU 103 -0.976 3.019 -5.051 780 2HB GLU 103 HB1 GLU 103 -2.738 3.082 -5.027 781 1HG GLU 103 HG2 GLU 103 -2.521 4.819 -6.920 782 2HG GLU 103 HG1 GLU 103 -0.855 4.258 -7.070 783 H LEU 104 HN LEU 104 0.705 4.985 -3.873 784 HA LEU 104 HA LEU 104 1.206 7.464 -5.473 785 1HB LEU 104 HB2 LEU 104 1.858 6.643 -2.874 786 2HB LEU 104 HB1 LEU 104 3.365 6.488 -3.777 787 HG LEU 104 HG LEU 104 2.955 8.826 -4.669 788 1HD1 LEU 104 HD11 LEU 104 0.491 8.407 -3.245 789 2HD1 LEU 104 HD12 LEU 104 0.960 9.780 -4.250 790 3HD1 LEU 104 HD13 LEU 104 1.345 9.774 -2.531 791 1HD2 LEU 104 HD21 LEU 104 4.206 7.983 -2.401 792 2HD2 LEU 104 HD22 LEU 104 3.057 9.136 -1.723 793 3HD2 LEU 104 HD23 LEU 104 4.210 9.657 -2.953 794 H HIS 105 HN HIS 105 3.340 7.487 -6.643 795 HA HIS 105 HA HIS 105 4.021 4.755 -7.684 796 1HB HIS 105 HB2 HIS 105 4.088 7.469 -9.041 797 2HB HIS 105 HB1 HIS 105 4.490 5.931 -9.803 798 HD1 HIS 105 HD1 HIS 105 2.146 7.643 -10.882 799 HD2 HIS 105 HD2 HIS 105 1.695 4.582 -8.090 800 HE1 HIS 105 HE1 HIS 105 -0.266 6.884 -11.035 801 H LEU 106 HN LEU 106 6.233 4.262 -7.855 802 HA LEU 106 HA LEU 106 8.193 6.411 -7.203 803 1HB LEU 106 HB2 LEU 106 7.500 5.242 -5.119 804 2HB LEU 106 HB1 LEU 106 7.999 3.707 -5.832 805 HG LEU 106 HG LEU 106 10.302 4.503 -6.022 806 1HD1 LEU 106 HD11 LEU 106 10.773 6.753 -4.813 807 2HD1 LEU 106 HD12 LEU 106 9.057 7.078 -5.068 808 3HD1 LEU 106 HD13 LEU 106 10.123 6.813 -6.450 809 1HD2 LEU 106 HD21 LEU 106 8.918 4.734 -3.359 810 2HD2 LEU 106 HD22 LEU 106 10.650 5.046 -3.479 811 3HD2 LEU 106 HD23 LEU 106 10.002 3.469 -3.938 812 H GLY 107 HN GLY 107 9.885 6.290 -8.616 813 1HA GLY 107 HA2 GLY 107 10.043 4.354 -10.685 814 2HA GLY 107 HA1 GLY 107 11.359 5.437 -10.229 815 H ILE 108 HN ILE 108 11.424 2.552 -10.973 816 HA ILE 108 HA ILE 108 11.838 0.832 -8.780 817 HB ILE 108 HB ILE 108 12.987 1.068 -11.569 818 1HG1 ILE 108 HG12 ILE 108 10.864 -0.755 -10.403 819 2HG1 ILE 108 HG11 ILE 108 10.521 0.735 -11.281 820 1HG2 ILE 108 HG21 ILE 108 13.207 -1.544 -10.990 821 2HG2 ILE 108 HG22 ILE 108 13.502 -0.863 -9.389 822 3HG2 ILE 108 HG23 ILE 108 14.523 -0.395 -10.750 823 1HD1 ILE 108 HD11 ILE 108 12.374 -1.122 -12.647 824 2HD1 ILE 108 HD12 ILE 108 11.025 -0.192 -13.304 825 3HD1 ILE 108 HD13 ILE 108 10.725 -1.715 -12.467 826 H HIS 109 HN HIS 109 14.113 3.053 -10.420 827 HA HIS 109 HA HIS 109 16.327 2.248 -8.631 828 1HB HIS 109 HB2 HIS 109 17.530 3.948 -10.043 829 2HB HIS 109 HB1 HIS 109 16.737 2.691 -10.993 830 HD1 HIS 109 HD1 HIS 109 15.990 6.208 -9.709 831 HD2 HIS 109 HD2 HIS 109 14.987 3.697 -12.881 832 HE1 HIS 109 HE1 HIS 109 14.534 7.572 -11.269 833 H GLN 110 HN GLN 110 13.685 4.170 -8.219 834 HA GLN 110 HA GLN 110 15.142 6.346 -6.784 835 1HB GLN 110 HB2 GLN 110 12.243 5.959 -7.588 836 2HB GLN 110 HB1 GLN 110 12.879 7.398 -6.793 837 1HG GLN 110 HG2 GLN 110 14.622 7.298 -8.808 838 2HG GLN 110 HG1 GLN 110 13.294 6.439 -9.591 839 1HE2 GLN 110 HE21 GLN 110 11.605 7.702 -10.419 840 2HE2 GLN 110 HE22 GLN 110 11.410 9.360 -10.116 841 H LEU 111 HN LEU 111 14.840 3.509 -5.793 842 HA LEU 111 HA LEU 111 12.871 3.504 -3.677 843 1HB LEU 111 HB2 LEU 111 15.309 1.914 -4.452 844 2HB LEU 111 HB1 LEU 111 14.527 1.606 -2.908 845 HG LEU 111 HG LEU 111 13.791 0.580 -5.450 846 1HD1 LEU 111 HD11 LEU 111 13.420 -0.823 -3.662 847 2HD1 LEU 111 HD12 LEU 111 11.781 -0.215 -3.907 848 3HD1 LEU 111 HD13 LEU 111 12.795 0.471 -2.639 849 1HD2 LEU 111 HD21 LEU 111 12.513 2.754 -5.721 850 2HD2 LEU 111 HD22 LEU 111 11.567 2.296 -4.304 851 3HD2 LEU 111 HD23 LEU 111 11.508 1.305 -5.761 852 H GLU 112 HN GLU 112 13.007 5.188 -2.353 853 HA GLU 112 HA GLU 112 14.734 5.301 -0.124 854 1HB GLU 112 HB2 GLU 112 16.141 7.279 -0.839 855 2HB GLU 112 HB1 GLU 112 16.506 5.806 -1.740 856 1HG GLU 112 HG2 GLU 112 15.226 6.522 -3.618 857 2HG GLU 112 HG1 GLU 112 14.497 7.840 -2.701 858 H GLN 113 HN GLN 113 12.705 6.891 -2.471 859 HA GLN 113 HA GLN 113 11.957 9.192 -0.811 860 1HB GLN 113 HB2 GLN 113 11.136 7.933 -3.420 861 2HB GLN 113 HB1 GLN 113 10.201 9.256 -2.732 862 1HG GLN 113 HG2 GLN 113 12.128 10.712 -2.730 863 2HG GLN 113 HG1 GLN 113 13.191 9.383 -3.190 864 1HE2 GLN 113 HE21 GLN 113 13.110 8.637 -5.428 865 2HE2 GLN 113 HE22 GLN 113 12.339 9.544 -6.638 866 H LEU 114 HN LEU 114 11.211 5.913 -0.724 867 HA LEU 114 HA LEU 114 8.475 5.619 -0.407 868 1HB LEU 114 HB2 LEU 114 10.863 4.485 1.034 869 2HB LEU 114 HB1 LEU 114 9.229 3.931 1.397 870 HG LEU 114 HG LEU 114 9.348 3.948 -1.394 871 1HD1 LEU 114 HD11 LEU 114 11.457 2.213 -1.311 872 2HD1 LEU 114 HD12 LEU 114 11.987 3.445 -0.166 873 3HD1 LEU 114 HD13 LEU 114 11.580 3.896 -1.823 874 1HD2 LEU 114 HD21 LEU 114 9.844 1.603 0.468 875 2HD2 LEU 114 HD22 LEU 114 9.135 1.543 -1.145 876 3HD2 LEU 114 HD23 LEU 114 8.256 2.305 0.180 877 HA PRO 115 HA PRO 115 8.794 7.025 4.189 878 1HB PRO 115 HB2 PRO 115 10.758 8.872 4.728 879 2HB PRO 115 HB1 PRO 115 10.951 7.129 4.996 880 1HG PRO 115 HG2 PRO 115 11.853 8.785 2.677 881 2HG PRO 115 HG1 PRO 115 12.724 7.519 3.561 882 1HD PRO 115 HD2 PRO 115 11.583 7.011 1.211 883 2HD PRO 115 HD1 PRO 115 11.571 5.799 2.504 884 H TYR 116 HN TYR 116 10.088 9.471 1.888 885 HA TYR 116 HA TYR 116 8.214 11.507 2.746 886 1HB TYR 116 HB2 TYR 116 9.658 12.718 1.481 887 2HB TYR 116 HB1 TYR 116 10.480 11.220 1.050 888 HD1 TYR 116 HD1 TYR 116 10.608 10.646 -1.182 889 HD2 TYR 116 HD2 TYR 116 7.403 13.165 0.147 890 HE1 TYR 116 HE1 TYR 116 9.830 10.879 -3.521 891 HE2 TYR 116 HE2 TYR 116 6.621 13.404 -2.191 892 HH TYR 116 HH TYR 116 6.782 12.425 -4.291 893 H GLN 117 HN GLN 117 8.236 8.960 0.309 894 HA GLN 117 HA GLN 117 5.809 9.717 -1.068 895 1HB GLN 117 HB2 GLN 117 7.498 7.233 -0.763 896 2HB GLN 117 HB1 GLN 117 5.975 7.170 -1.650 897 1HG GLN 117 HG2 GLN 117 7.875 9.381 -2.307 898 2HG GLN 117 HG1 GLN 117 8.265 7.758 -2.880 899 1HE2 GLN 117 HE21 GLN 117 6.794 10.500 -3.953 900 2HE2 GLN 117 HE22 GLN 117 5.616 9.826 -4.975 901 H VAL 118 HN VAL 118 6.555 7.709 1.741 902 HA VAL 118 HA VAL 118 3.975 6.525 2.090 903 HB VAL 118 HB VAL 118 6.427 7.078 3.723 904 1HG1 VAL 118 HG11 VAL 118 4.573 7.610 5.281 905 2HG1 VAL 118 HG12 VAL 118 5.389 6.115 5.737 906 3HG1 VAL 118 HG13 VAL 118 3.829 6.052 4.915 907 1HG2 VAL 118 HG21 VAL 118 6.325 4.619 3.984 908 2HG2 VAL 118 HG22 VAL 118 6.243 5.080 2.284 909 3HG2 VAL 118 HG23 VAL 118 4.777 4.599 3.140 910 H ASP 119 HN ASP 119 5.412 9.508 3.489 911 HA ASP 119 HA ASP 119 3.020 10.299 4.900 912 1HB ASP 119 HB2 ASP 119 5.337 11.923 3.774 913 2HB ASP 119 HB1 ASP 119 4.212 12.469 5.019 914 H ALA 120 HN ALA 120 4.341 11.065 1.669 915 HA ALA 120 HA ALA 120 2.217 12.889 0.937 916 1HB ALA 120 HB1 ALA 120 4.668 11.994 -0.074 917 2HB ALA 120 HB2 ALA 120 3.575 13.127 -0.868 918 3HB ALA 120 HB3 ALA 120 3.485 11.407 -1.243 919 H ALA 121 HN ALA 121 2.778 9.392 0.533 920 HA ALA 121 HA ALA 121 0.487 8.820 -1.094 921 1HB ALA 121 HB1 ALA 121 2.185 7.280 0.891 922 2HB ALA 121 HB2 ALA 121 2.209 7.179 -0.870 923 3HB ALA 121 HB3 ALA 121 0.850 6.510 0.033 924 H LEU 122 HN LEU 122 0.998 8.911 2.432 925 HA LEU 122 HA LEU 122 -1.584 8.044 3.263 926 1HB LEU 122 HB2 LEU 122 0.603 9.811 4.357 927 2HB LEU 122 HB1 LEU 122 -0.907 9.644 5.253 928 HG LEU 122 HG LEU 122 0.319 7.117 4.294 929 1HD1 LEU 122 HD11 LEU 122 1.446 8.446 6.758 930 2HD1 LEU 122 HD12 LEU 122 2.205 8.667 5.185 931 3HD1 LEU 122 HD13 LEU 122 2.073 7.053 5.878 932 1HD2 LEU 122 HD21 LEU 122 -1.754 7.764 5.914 933 2HD2 LEU 122 HD22 LEU 122 -0.469 7.619 7.116 934 3HD2 LEU 122 HD23 LEU 122 -0.855 6.255 6.067 935 H ALA 123 HN ALA 123 -0.330 11.359 2.789 936 HA ALA 123 HA ALA 123 -2.806 12.706 3.251 937 1HB ALA 123 HB1 ALA 123 -0.950 14.084 3.314 938 2HB ALA 123 HB2 ALA 123 -1.463 14.394 1.655 939 3HB ALA 123 HB3 ALA 123 -0.159 13.249 1.977 940 H GLU 124 HN GLU 124 -1.258 11.597 0.212 941 HA GLU 124 HA GLU 124 -3.298 12.571 -1.543 942 1HB GLU 124 HB2 GLU 124 -0.932 11.732 -2.045 943 2HB GLU 124 HB1 GLU 124 -1.589 10.099 -1.924 944 1HG GLU 124 HG2 GLU 124 -1.702 10.655 -4.242 945 2HG GLU 124 HG1 GLU 124 -3.346 10.837 -3.635 946 H PHE 125 HN PHE 125 -3.015 9.614 0.386 947 HA PHE 125 HA PHE 125 -5.168 8.149 -0.860 948 1HB PHE 125 HB2 PHE 125 -3.338 7.253 0.599 949 2HB PHE 125 HB1 PHE 125 -4.081 8.066 1.975 950 HD1 PHE 125 HD1 PHE 125 -5.271 6.632 3.352 951 HD2 PHE 125 HD2 PHE 125 -5.336 5.963 -0.889 952 HE1 PHE 125 HE1 PHE 125 -6.795 4.707 3.681 953 HE2 PHE 125 HE2 PHE 125 -6.860 4.037 -0.560 954 HZ PHE 125 HZ PHE 125 -7.591 3.408 1.724 955 H LEU 126 HN LEU 126 -5.019 10.295 1.991 956 HA LEU 126 HA LEU 126 -7.745 10.009 2.809 957 1HB LEU 126 HB2 LEU 126 -5.762 12.288 3.090 958 2HB LEU 126 HB1 LEU 126 -7.208 12.073 4.080 959 HG LEU 126 HG LEU 126 -4.915 10.102 3.874 960 1HD1 LEU 126 HD11 LEU 126 -5.041 12.470 5.322 961 2HD1 LEU 126 HD12 LEU 126 -3.984 11.100 5.672 962 3HD1 LEU 126 HD13 LEU 126 -5.542 11.245 6.487 963 1HD2 LEU 126 HD21 LEU 126 -6.305 8.602 4.803 964 2HD2 LEU 126 HD22 LEU 126 -7.628 9.756 4.637 965 3HD2 LEU 126 HD23 LEU 126 -6.669 9.722 6.115 966 H ARG 127 HN ARG 127 -6.194 12.247 0.529 967 HA ARG 127 HA ARG 127 -8.357 14.049 0.129 968 1HB ARG 127 HB2 ARG 127 -6.015 14.322 -0.627 969 2HB ARG 127 HB1 ARG 127 -6.250 13.021 -1.795 970 1HG ARG 127 HG2 ARG 127 -8.056 14.335 -2.873 971 2HG ARG 127 HG1 ARG 127 -7.759 15.648 -1.734 972 1HD ARG 127 HD2 ARG 127 -5.542 14.526 -3.463 973 2HD ARG 127 HD1 ARG 127 -6.579 15.858 -4.008 974 HE ARG 127 HE ARG 127 -5.725 16.460 -1.370 975 1HH1 ARG 127 HH11 ARG 127 -4.425 15.997 -4.529 976 2HH1 ARG 127 HH12 ARG 127 -3.160 17.159 -4.319 977 1HH2 ARG 127 HH21 ARG 127 -4.091 17.987 -1.087 978 2HH2 ARG 127 HH22 ARG 127 -2.976 18.290 -2.378 979 H LEU 128 HN LEU 128 -7.527 11.042 -1.603 980 HA LEU 128 HA LEU 128 -9.996 11.176 -3.207 981 1HB LEU 128 HB2 LEU 128 -7.534 9.470 -3.026 982 2HB LEU 128 HB1 LEU 128 -8.926 8.902 -3.950 983 HG LEU 128 HG LEU 128 -8.870 10.826 -5.382 984 1HD1 LEU 128 HD11 LEU 128 -6.798 11.883 -3.438 985 2HD1 LEU 128 HD12 LEU 128 -8.395 12.558 -3.763 986 3HD1 LEU 128 HD13 LEU 128 -7.143 12.624 -5.000 987 1HD2 LEU 128 HD21 LEU 128 -7.148 9.982 -6.568 988 2HD2 LEU 128 HD22 LEU 128 -6.704 9.034 -5.150 989 3HD2 LEU 128 HD23 LEU 128 -5.980 10.620 -5.411 990 H ALA 129 HN ALA 129 -9.195 10.118 -0.123 991 HA ALA 129 HA ALA 129 -10.683 7.652 0.002 992 1HB ALA 129 HB1 ALA 129 -9.842 9.678 2.078 993 2HB ALA 129 HB2 ALA 129 -8.945 8.239 1.590 994 3HB ALA 129 HB3 ALA 129 -10.475 8.074 2.450 995 HA PRO 130 HA PRO 130 -12.060 6.454 0.620 996 1HB PRO 130 HB2 PRO 130 -14.314 5.489 -0.597 997 2HB PRO 130 HB1 PRO 130 -14.203 5.762 1.155 998 1HG PRO 130 HG2 PRO 130 -15.478 7.435 -0.941 999 2HG PRO 130 HG1 PRO 130 -16.005 7.102 0.713 1000 1HD PRO 130 HD2 PRO 130 -14.796 9.422 -0.060 1001 2HD PRO 130 HD1 PRO 130 -14.729 8.769 1.591 1002 H VAL 131 HN VAL 131 -10.552 6.184 -1.037 1003 HA VAL 131 HA VAL 131 -10.784 7.346 -3.650 1004 HB VAL 131 HB VAL 131 -8.872 5.798 -4.135 1005 1HG1 VAL 131 HG11 VAL 131 -7.865 7.575 -3.137 1006 2HG1 VAL 131 HG12 VAL 131 -7.684 6.488 -1.763 1007 3HG1 VAL 131 HG13 VAL 131 -9.034 7.615 -1.820 1008 1HG2 VAL 131 HG21 VAL 131 -8.281 4.622 -1.731 1009 2HG2 VAL 131 HG22 VAL 131 -9.056 3.799 -3.083 1010 3HG2 VAL 131 HG23 VAL 131 -10.038 4.469 -1.779 1011 H GLU 132 HN GLU 132 -11.040 6.067 -5.701 1012 HA GLU 132 HA GLU 132 -13.158 4.003 -5.344 1013 1HB GLU 132 HB2 GLU 132 -13.632 5.959 -6.741 1014 2HB GLU 132 HB1 GLU 132 -12.207 5.628 -7.727 1015 1HG GLU 132 HG2 GLU 132 -13.998 4.698 -8.967 1016 2HG GLU 132 HG1 GLU 132 -13.271 3.312 -8.151 1017 H THR 133 HN THR 133 -12.121 2.036 -5.071 1018 HA THR 133 HA THR 133 -9.713 1.312 -6.570 1019 HB THR 133 HB THR 133 -10.429 -0.957 -5.422 1020 HG1 THR 133 HG1 THR 133 -12.280 -0.802 -4.484 1021 1HG2 THR 133 HG21 THR 133 -9.671 1.543 -3.893 1022 2HG2 THR 133 HG22 THR 133 -8.569 0.373 -4.620 1023 3HG2 THR 133 HG23 THR 133 -9.562 -0.092 -3.238 1024 H MET 134 HN MET 134 -9.741 0.337 -8.580 1025 HA MET 134 HA MET 134 -12.359 -0.285 -9.797 1026 1HB MET 134 HB2 MET 134 -9.527 -0.296 -10.888 1027 2HB MET 134 HB1 MET 134 -11.005 -0.357 -11.849 1028 1HG MET 134 HG2 MET 134 -10.068 1.905 -10.071 1029 2HG MET 134 HG1 MET 134 -10.257 1.937 -11.823 1030 1HE MET 134 HE1 MET 134 -13.457 2.010 -12.842 1031 2HE MET 134 HE2 MET 134 -13.790 0.544 -11.922 1032 3HE MET 134 HE3 MET 134 -12.228 0.744 -12.710 1033 H ALA 135 HN ALA 135 -10.432 -2.045 -7.851 1034 HA ALA 135 HA ALA 135 -9.665 -4.433 -9.006 1035 1HB ALA 135 HB1 ALA 135 -9.904 -5.310 -6.850 1036 2HB ALA 135 HB2 ALA 135 -11.429 -4.470 -6.573 1037 3HB ALA 135 HB3 ALA 135 -9.908 -3.577 -6.525
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