NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5342 | 1h8b | 4453 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 3.716 -1.899 1.087 2 HA MET 1 HA MET 1 1.437 -0.048 0.665 3 1HB MET 1 1HB MET 1 4.102 -0.571 -0.418 4 2HB MET 1 2HB MET 1 2.905 -0.339 -1.693 5 1HG MET 1 1HG MET 1 2.529 1.585 0.451 6 2HG MET 1 2HG MET 1 4.164 1.675 -0.205 7 1HE MET 1 1HE MET 1 4.690 3.108 -1.371 8 2HE MET 1 2HE MET 1 4.272 3.322 -3.068 9 3HE MET 1 3HE MET 1 3.557 4.379 -1.852 10 H ALA 2 H ALA 2 2.821 -2.419 -1.603 11 HA ALA 2 HA ALA 2 0.184 -3.064 -2.671 12 1HB ALA 2 1HB ALA 2 2.948 -4.253 -3.077 13 2HB ALA 2 2HB ALA 2 1.548 -4.585 -4.097 14 3HB ALA 2 3HB ALA 2 2.229 -2.959 -4.035 15 H ASP 3 H ASP 3 1.684 -4.017 0.135 16 HA ASP 3 HA ASP 3 0.007 -6.456 0.312 17 1HB ASP 3 1HB ASP 3 2.938 -6.344 -0.011 18 2HB ASP 3 2HB ASP 3 2.399 -7.357 1.329 19 H THR 4 H THR 4 -0.445 -7.014 2.513 20 HA THR 4 HA THR 4 0.907 -5.661 4.729 21 HB THR 4 HB THR 4 -0.397 -3.801 4.012 22 HG1 THR 4 HG1 THR 4 -1.751 -3.541 5.724 23 1HG2 THR 4 1HG2 THR 4 -2.470 -5.902 3.462 24 2HG2 THR 4 2HG2 THR 4 -2.968 -4.231 3.726 25 3HG2 THR 4 3HG2 THR 4 -1.871 -4.625 2.403 26 H ASP 5 H ASP 5 0.810 -7.138 6.373 27 HA ASP 5 HA ASP 5 -1.570 -8.342 7.370 28 1HB ASP 5 1HB ASP 5 -0.608 -9.419 4.924 29 2HB ASP 5 2HB ASP 5 -0.264 -10.616 6.173 30 H THR 6 H THR 6 1.041 -7.240 8.244 31 HA THR 6 HA THR 6 2.585 -7.659 9.981 32 HB THR 6 HB THR 6 1.152 -10.266 10.444 33 HG1 THR 6 HG1 THR 6 -0.658 -9.270 10.707 34 1HG2 THR 6 1HG2 THR 6 3.028 -9.486 11.913 35 2HG2 THR 6 2HG2 THR 6 2.058 -8.071 12.323 36 3HG2 THR 6 3HG2 THR 6 1.500 -9.682 12.772 37 H ALA 7 H ALA 7 1.857 -11.003 8.911 38 HA ALA 7 HA ALA 7 4.658 -11.720 8.767 39 1HB ALA 7 1HB ALA 7 2.603 -13.188 9.182 40 2HB ALA 7 2HB ALA 7 3.772 -13.831 8.028 41 3HB ALA 7 3HB ALA 7 2.287 -13.074 7.450 42 H GLU 8 H GLU 8 2.169 -10.958 6.328 43 HA GLU 8 HA GLU 8 3.779 -11.341 4.000 44 1HB GLU 8 1HB GLU 8 1.231 -10.999 4.334 45 2HB GLU 8 2HB GLU 8 1.599 -9.273 4.328 46 1HG GLU 8 1HG GLU 8 1.070 -9.833 2.065 47 2HG GLU 8 2HG GLU 8 2.826 -9.677 2.127 48 H GLN 9 H GLN 9 3.331 -8.553 6.152 49 HA GLN 9 HA GLN 9 4.646 -6.570 4.586 50 1HB GLN 9 1HB GLN 9 3.765 -7.044 7.343 51 2HB GLN 9 2HB GLN 9 5.184 -6.001 7.254 52 1HG GLN 9 1HG GLN 9 2.708 -5.571 5.566 53 2HG GLN 9 2HG GLN 9 2.960 -4.786 7.125 54 2HE2 GLN 9 2HE2 GLN 9 3.137 -2.645 6.139 55 1HE2 GLN 9 1HE2 GLN 9 4.501 -2.203 5.231 56 H VAL 10 H VAL 10 5.952 -8.873 6.999 57 HA VAL 10 HA VAL 10 8.667 -7.932 6.871 58 HB VAL 10 HB VAL 10 7.513 -10.665 7.525 59 1HG1 VAL 10 1HG1 VAL 10 10.209 -9.691 7.386 60 2HG1 VAL 10 2HG1 VAL 10 9.805 -9.989 9.077 61 3HG1 VAL 10 3HG1 VAL 10 9.646 -11.284 7.891 62 1HG2 VAL 10 1HG2 VAL 10 7.328 -8.093 8.837 63 2HG2 VAL 10 2HG2 VAL 10 6.600 -9.629 9.309 64 3HG2 VAL 10 3HG2 VAL 10 8.230 -9.223 9.849 65 H ILE 11 H ILE 11 6.922 -10.519 5.137 66 HA ILE 11 HA ILE 11 9.130 -11.536 3.635 67 HB ILE 11 HB ILE 11 6.170 -11.318 2.976 68 1HG1 ILE 11 1HG1 ILE 11 7.776 -13.512 4.331 69 2HG1 ILE 11 2HG1 ILE 11 6.621 -12.442 5.127 70 1HG2 ILE 11 1HG2 ILE 11 8.416 -12.361 1.491 71 2HG2 ILE 11 2HG2 ILE 11 7.322 -13.676 1.923 72 3HG2 ILE 11 3HG2 ILE 11 6.718 -12.287 1.020 73 1HD1 ILE 11 1HD1 ILE 11 5.143 -13.423 3.020 74 2HD1 ILE 11 2HD1 ILE 11 6.130 -14.816 3.464 75 3HD1 ILE 11 3HD1 ILE 11 5.091 -14.051 4.667 76 H ALA 12 H ALA 12 6.661 -9.083 2.783 77 HA ALA 12 HA ALA 12 7.757 -8.385 0.232 78 1HB ALA 12 1HB ALA 12 5.923 -7.183 2.279 79 2HB ALA 12 2HB ALA 12 6.481 -6.158 0.957 80 3HB ALA 12 3HB ALA 12 5.583 -7.636 0.609 81 H SER 13 H SER 13 8.335 -7.159 3.519 82 HA SER 13 HA SER 13 10.102 -5.008 2.761 83 1HB SER 13 1HB SER 13 9.289 -6.512 5.202 84 2HB SER 13 2HB SER 13 10.810 -5.628 5.297 85 HG SER 13 HG SER 13 8.421 -4.650 5.577 86 H PHE 14 H PHE 14 10.654 -8.379 3.823 87 HA PHE 14 HA PHE 14 13.530 -8.273 3.727 88 1HB PHE 14 1HB PHE 14 11.344 -10.240 3.971 89 2HB PHE 14 2HB PHE 14 12.810 -10.889 3.234 90 HD1 PHE 14 HD1 PHE 14 11.294 -10.887 6.222 91 HD2 PHE 14 HD2 PHE 14 14.977 -9.482 4.514 92 HE1 PHE 14 HE1 PHE 14 12.371 -10.996 8.454 93 HE2 PHE 14 HE2 PHE 14 16.053 -9.592 6.746 94 HZ PHE 14 HZ PHE 14 14.750 -10.349 8.715 95 H ARG 15 H ARG 15 11.062 -9.253 1.343 96 HA ARG 15 HA ARG 15 12.740 -10.171 -0.733 97 1HB ARG 15 1HB ARG 15 10.097 -9.858 -0.360 98 2HB ARG 15 2HB ARG 15 10.387 -8.439 -1.366 99 1HG ARG 15 1HG ARG 15 11.812 -10.362 -2.708 100 2HG ARG 15 2HG ARG 15 10.448 -11.295 -2.090 101 1HD ARG 15 1HD ARG 15 9.452 -8.785 -3.078 102 2HD ARG 15 2HD ARG 15 10.455 -9.542 -4.332 103 HE ARG 15 HE ARG 15 8.823 -11.550 -3.109 104 1HH1 ARG 15 1HH1 ARG 15 8.672 -8.786 -5.177 105 2HH1 ARG 15 2HH1 ARG 15 7.271 -9.342 -6.031 106 1HH2 ARG 15 1HH2 ARG 15 6.996 -12.282 -4.216 107 2HH2 ARG 15 2HH2 ARG 15 6.323 -11.317 -5.488 108 H ILE 16 H ILE 16 11.708 -6.848 0.054 109 HA ILE 16 HA ILE 16 12.955 -5.510 -2.134 110 HB ILE 16 HB ILE 16 12.141 -4.820 0.688 111 1HG1 ILE 16 1HG1 ILE 16 11.213 -3.851 -2.034 112 2HG1 ILE 16 2HG1 ILE 16 10.430 -5.123 -1.096 113 1HG2 ILE 16 1HG2 ILE 16 14.127 -3.438 0.188 114 2HG2 ILE 16 2HG2 ILE 16 13.383 -2.917 -1.324 115 3HG2 ILE 16 3HG2 ILE 16 12.663 -2.455 0.219 116 1HD1 ILE 16 1HD1 ILE 16 10.921 -2.570 0.335 117 2HD1 ILE 16 2HD1 ILE 16 9.704 -2.519 -0.940 118 3HD1 ILE 16 3HD1 ILE 16 9.526 -3.648 0.403 119 H LEU 17 H LEU 17 14.173 -6.289 1.136 120 HA LEU 17 HA LEU 17 16.758 -5.086 0.825 121 1HB LEU 17 1HB LEU 17 15.359 -7.005 2.615 122 2HB LEU 17 2HB LEU 17 17.120 -7.077 2.641 123 HG LEU 17 HG LEU 17 16.411 -5.495 4.329 124 1HD1 LEU 17 1HD1 LEU 17 18.251 -4.940 2.419 125 2HD1 LEU 17 2HD1 LEU 17 17.169 -3.563 2.207 126 3HD1 LEU 17 3HD1 LEU 17 17.917 -3.864 3.776 127 1HD2 LEU 17 1HD2 LEU 17 14.650 -4.532 2.105 128 2HD2 LEU 17 2HD2 LEU 17 14.269 -4.771 3.810 129 3HD2 LEU 17 3HD2 LEU 17 15.201 -3.362 3.304 130 H ALA 18 H ALA 18 15.555 -8.387 0.214 131 HA ALA 18 HA ALA 18 18.160 -9.435 -0.555 132 1HB ALA 18 1HB ALA 18 15.697 -10.745 -1.533 133 2HB ALA 18 2HB ALA 18 16.999 -11.402 -0.542 134 3HB ALA 18 3HB ALA 18 15.723 -10.440 0.204 135 H SER 19 H SER 19 16.227 -7.208 -2.060 136 HA SER 19 HA SER 19 16.268 -6.352 -4.267 137 1HB SER 19 1HB SER 19 18.680 -7.747 -3.811 138 2HB SER 19 2HB SER 19 18.120 -8.274 -5.395 139 HG SER 19 HG SER 19 19.124 -5.874 -4.600 140 H ASP 20 H ASP 20 14.059 -7.606 -4.100 141 HA ASP 20 HA ASP 20 12.483 -9.066 -5.100 142 1HB ASP 20 1HB ASP 20 14.381 -8.004 -7.120 143 2HB ASP 20 2HB ASP 20 13.376 -9.351 -7.654 144 H LYS 21 H LYS 21 14.051 -10.626 -3.547 145 HA LYS 21 HA LYS 21 14.637 -12.993 -5.287 146 1HB LYS 21 1HB LYS 21 16.275 -11.659 -3.131 147 2HB LYS 21 2HB LYS 21 16.527 -13.357 -3.537 148 1HG LYS 21 1HG LYS 21 16.504 -12.281 -6.026 149 2HG LYS 21 2HG LYS 21 17.164 -10.925 -5.111 150 1HD LYS 21 1HD LYS 21 18.814 -12.547 -4.082 151 2HD LYS 21 2HD LYS 21 18.249 -13.749 -5.243 152 1HE LYS 21 1HE LYS 21 20.083 -12.808 -6.378 153 2HE LYS 21 2HE LYS 21 18.740 -11.833 -7.006 154 1HZ LYS 21 1HZ LYS 21 19.994 -11.040 -4.475 155 2HZ LYS 21 2HZ LYS 21 20.813 -10.685 -5.921 156 3HZ LYS 21 3HZ LYS 21 19.252 -10.075 -5.660 157 HA PRO 22 HA PRO 22 12.039 -14.914 -2.305 158 1HB PRO 22 1HB PRO 22 12.703 -17.548 -2.831 159 2HB PRO 22 2HB PRO 22 11.558 -16.597 -3.797 160 1HG PRO 22 1HG PRO 22 14.402 -17.250 -4.335 161 2HG PRO 22 2HG PRO 22 13.042 -17.104 -5.458 162 1HD PRO 22 1HD PRO 22 14.931 -15.183 -5.178 163 2HD PRO 22 2HD PRO 22 13.248 -14.829 -5.624 164 H TYR 23 H TYR 23 15.361 -14.759 -2.177 165 HA TYR 23 HA TYR 23 15.385 -15.883 0.583 166 1HB TYR 23 1HB TYR 23 17.483 -17.116 -0.013 167 2HB TYR 23 2HB TYR 23 16.076 -17.694 -0.906 168 HD1 TYR 23 HD1 TYR 23 16.043 -17.657 -3.266 169 HD2 TYR 23 HD2 TYR 23 18.992 -15.370 -1.140 170 HE1 TYR 23 HE1 TYR 23 17.185 -17.141 -5.406 171 HE2 TYR 23 HE2 TYR 23 20.135 -14.854 -3.279 172 HH TYR 23 HH TYR 23 20.303 -15.872 -5.565 173 H ILE 24 H ILE 24 17.362 -15.163 1.771 174 HA ILE 24 HA ILE 24 18.559 -12.677 0.599 175 HB ILE 24 HB ILE 24 16.686 -12.801 2.583 176 1HG1 ILE 24 1HG1 ILE 24 17.281 -10.742 1.539 177 2HG1 ILE 24 2HG1 ILE 24 17.603 -10.520 3.259 178 1HG2 ILE 24 1HG2 ILE 24 18.309 -14.007 4.073 179 2HG2 ILE 24 2HG2 ILE 24 19.343 -12.579 4.022 180 3HG2 ILE 24 3HG2 ILE 24 17.736 -12.479 4.742 181 1HD1 ILE 24 1HD1 ILE 24 20.005 -11.304 2.714 182 2HD1 ILE 24 2HD1 ILE 24 19.578 -10.998 1.030 183 3HD1 ILE 24 3HD1 ILE 24 19.543 -9.681 2.202 184 H LEU 25 H LEU 25 20.782 -12.438 0.963 185 HA LEU 25 HA LEU 25 22.215 -14.836 1.917 186 1HB LEU 25 1HB LEU 25 23.229 -12.192 0.826 187 2HB LEU 25 2HB LEU 25 24.129 -13.706 0.919 188 HG LEU 25 HG LEU 25 21.573 -13.355 -0.670 189 1HD1 LEU 25 1HD1 LEU 25 24.471 -13.001 -1.379 190 2HD1 LEU 25 2HD1 LEU 25 23.354 -13.631 -2.590 191 3HD1 LEU 25 3HD1 LEU 25 23.078 -12.041 -1.877 192 1HD2 LEU 25 1HD2 LEU 25 23.662 -15.546 -0.484 193 2HD2 LEU 25 2HD2 LEU 25 21.963 -15.657 -0.026 194 3HD2 LEU 25 3HD2 LEU 25 22.409 -15.491 -1.724 195 H ALA 26 H ALA 26 23.777 -14.754 3.630 196 HA ALA 26 HA ALA 26 23.073 -13.267 5.955 197 1HB ALA 26 1HB ALA 26 25.063 -15.177 5.039 198 2HB ALA 26 2HB ALA 26 24.405 -14.956 6.660 199 3HB ALA 26 3HB ALA 26 25.786 -13.996 6.131 200 H GLU 27 H GLU 27 25.672 -12.732 3.556 201 HA GLU 27 HA GLU 27 26.885 -10.475 4.779 202 1HB GLU 27 1HB GLU 27 26.536 -11.376 1.906 203 2HB GLU 27 2HB GLU 27 27.623 -10.077 2.388 204 1HG GLU 27 1HG GLU 27 28.994 -11.534 3.657 205 2HG GLU 27 2HG GLU 27 27.770 -12.804 3.669 206 H GLU 28 H GLU 28 24.053 -10.740 2.655 207 HA GLU 28 HA GLU 28 23.702 -7.968 2.066 208 1HB GLU 28 1HB GLU 28 22.018 -10.445 2.180 209 2HB GLU 28 2HB GLU 28 21.208 -8.891 1.982 210 1HG GLU 28 1HG GLU 28 23.537 -9.719 0.245 211 2HG GLU 28 2HG GLU 28 21.868 -10.102 -0.176 212 H LEU 29 H LEU 29 22.258 -9.979 4.664 213 HA LEU 29 HA LEU 29 20.794 -7.905 5.948 214 1HB LEU 29 1HB LEU 29 22.171 -10.332 7.148 215 2HB LEU 29 2HB LEU 29 20.800 -9.469 7.842 216 HG LEU 29 HG LEU 29 20.879 -11.230 5.400 217 1HD1 LEU 29 1HD1 LEU 29 19.233 -11.007 7.919 218 2HD1 LEU 29 2HD1 LEU 29 18.681 -11.956 6.539 219 3HD1 LEU 29 3HD1 LEU 29 20.188 -12.377 7.352 220 1HD2 LEU 29 1HD2 LEU 29 18.807 -9.105 6.049 221 2HD2 LEU 29 2HD2 LEU 29 19.848 -9.145 4.627 222 3HD2 LEU 29 3HD2 LEU 29 18.599 -10.371 4.839 223 H ARG 30 H ARG 30 24.187 -8.883 6.207 224 HA ARG 30 HA ARG 30 24.872 -7.336 8.523 225 1HB ARG 30 1HB ARG 30 26.327 -8.481 6.139 226 2HB ARG 30 2HB ARG 30 27.194 -7.548 7.359 227 1HG ARG 30 1HG ARG 30 25.426 -9.515 8.577 228 2HG ARG 30 2HG ARG 30 26.591 -10.272 7.490 229 1HD ARG 30 1HD ARG 30 28.038 -8.307 8.930 230 2HD ARG 30 2HD ARG 30 27.054 -9.181 10.121 231 HE ARG 30 HE ARG 30 28.006 -11.214 8.542 232 1HH1 ARG 30 1HH1 ARG 30 29.462 -8.511 10.127 233 2HH1 ARG 30 2HH1 ARG 30 30.979 -9.308 10.373 234 1HH2 ARG 30 1HH2 ARG 30 29.982 -12.262 8.859 235 2HH2 ARG 30 2HH2 ARG 30 31.273 -11.427 9.656 236 H ARG 31 H ARG 31 24.971 -6.582 5.029 237 HA ARG 31 HA ARG 31 25.865 -3.817 5.603 238 1HB ARG 31 1HB ARG 31 26.305 -5.646 3.598 239 2HB ARG 31 2HB ARG 31 25.091 -4.597 2.865 240 1HG ARG 31 1HG ARG 31 26.775 -2.775 4.057 241 2HG ARG 31 2HG ARG 31 27.900 -4.027 3.532 242 1HD ARG 31 1HD ARG 31 26.941 -3.914 1.239 243 2HD ARG 31 2HD ARG 31 25.864 -2.608 1.775 244 HE ARG 31 HE ARG 31 28.736 -2.358 1.301 245 1HH1 ARG 31 1HH1 ARG 31 25.983 -1.236 3.056 246 2HH1 ARG 31 2HH1 ARG 31 26.654 0.330 3.362 247 1HH2 ARG 31 1HH2 ARG 31 29.622 -0.313 1.695 248 2HH2 ARG 31 2HH2 ARG 31 28.708 0.852 2.594 249 H GLU 32 H GLU 32 22.916 -5.552 4.960 250 HA GLU 32 HA GLU 32 21.474 -3.047 4.238 251 1HB GLU 32 1HB GLU 32 20.720 -5.985 4.306 252 2HB GLU 32 2HB GLU 32 19.630 -4.698 3.791 253 1HG GLU 32 1HG GLU 32 22.355 -5.012 2.540 254 2HG GLU 32 2HG GLU 32 20.975 -5.944 1.957 255 H LEU 33 H LEU 33 21.911 -5.294 6.888 256 HA LEU 33 HA LEU 33 19.882 -3.754 8.469 257 1HB LEU 33 1HB LEU 33 20.310 -6.633 7.938 258 2HB LEU 33 2HB LEU 33 19.995 -6.228 9.621 259 HG LEU 33 HG LEU 33 18.237 -4.799 7.769 260 1HD1 LEU 33 1HD1 LEU 33 18.791 -7.381 6.967 261 2HD1 LEU 33 2HD1 LEU 33 17.368 -7.598 7.985 262 3HD1 LEU 33 3HD1 LEU 33 17.305 -6.505 6.603 263 1HD2 LEU 33 1HD2 LEU 33 18.245 -5.552 10.419 264 2HD2 LEU 33 2HD2 LEU 33 16.827 -4.975 9.542 265 3HD2 LEU 33 3HD2 LEU 33 17.115 -6.707 9.712 266 HA PRO 34 HA PRO 34 23.070 -2.735 11.305 267 1HB PRO 34 1HB PRO 34 21.636 -3.762 13.599 268 2HB PRO 34 2HB PRO 34 21.889 -2.072 13.133 269 1HG PRO 34 1HG PRO 34 19.553 -3.775 12.743 270 2HG PRO 34 2HG PRO 34 19.689 -2.013 12.676 271 1HD PRO 34 1HD PRO 34 19.257 -3.551 10.486 272 2HD PRO 34 2HD PRO 34 20.125 -2.000 10.428 273 HA PRO 35 HA PRO 35 25.351 -6.519 11.241 274 1HB PRO 35 1HB PRO 35 26.561 -5.699 13.788 275 2HB PRO 35 2HB PRO 35 27.330 -5.922 12.207 276 1HG PRO 35 1HG PRO 35 26.980 -3.500 13.344 277 2HG PRO 35 2HG PRO 35 27.006 -3.757 11.593 278 1HD PRO 35 1HD PRO 35 24.682 -3.304 13.401 279 2HD PRO 35 2HD PRO 35 24.952 -2.744 11.735 280 H ASP 36 H ASP 36 23.976 -5.336 14.313 281 HA ASP 36 HA ASP 36 23.877 -7.879 15.637 282 1HB ASP 36 1HB ASP 36 22.185 -5.377 15.936 283 2HB ASP 36 2HB ASP 36 22.343 -6.654 17.142 284 H GLN 37 H GLN 37 21.554 -6.192 13.520 285 HA GLN 37 HA GLN 37 19.352 -7.994 13.972 286 1HB GLN 37 1HB GLN 37 20.120 -5.742 12.264 287 2HB GLN 37 2HB GLN 37 19.063 -6.889 11.441 288 1HG GLN 37 1HG GLN 37 17.682 -5.238 12.571 289 2HG GLN 37 2HG GLN 37 17.511 -6.782 13.406 290 2HE2 GLN 37 2HE2 GLN 37 16.853 -5.239 15.270 291 1HE2 GLN 37 1HE2 GLN 37 18.101 -4.626 16.243 292 H ALA 38 H ALA 38 21.850 -7.846 11.413 293 HA ALA 38 HA ALA 38 20.908 -9.982 9.802 294 1HB ALA 38 1HB ALA 38 23.826 -9.455 10.312 295 2HB ALA 38 2HB ALA 38 22.828 -8.210 9.560 296 3HB ALA 38 3HB ALA 38 23.012 -9.782 8.782 297 H GLN 39 H GLN 39 23.249 -10.070 12.516 298 HA GLN 39 HA GLN 39 23.808 -12.855 12.426 299 1HB GLN 39 1HB GLN 39 24.898 -10.907 13.717 300 2HB GLN 39 2HB GLN 39 23.641 -11.167 14.927 301 1HG GLN 39 1HG GLN 39 25.075 -12.689 15.809 302 2HG GLN 39 2HG GLN 39 24.540 -13.728 14.488 303 2HE2 GLN 39 2HE2 GLN 39 26.505 -14.757 13.913 304 1HE2 GLN 39 1HE2 GLN 39 27.900 -13.920 13.429 305 H TYR 40 H TYR 40 21.386 -11.116 14.436 306 HA TYR 40 HA TYR 40 20.315 -13.434 15.709 307 1HB TYR 40 1HB TYR 40 19.930 -11.136 16.459 308 2HB TYR 40 2HB TYR 40 19.068 -10.769 14.964 309 HD1 TYR 40 HD1 TYR 40 16.857 -11.768 14.499 310 HD2 TYR 40 HD2 TYR 40 18.900 -12.455 18.215 311 HE1 TYR 40 HE1 TYR 40 14.753 -12.621 15.498 312 HE2 TYR 40 HE2 TYR 40 16.796 -13.307 19.214 313 HH TYR 40 HH TYR 40 13.781 -13.443 17.309 314 H CYS 41 H CYS 41 19.196 -11.693 12.785 315 HA CYS 41 HA CYS 41 17.000 -13.444 12.211 316 1HB CYS 41 1HB CYS 41 18.718 -11.712 10.404 317 2HB CYS 41 2HB CYS 41 17.105 -12.312 10.016 318 HG CYS 41 HG CYS 41 17.191 -10.693 12.617 319 H ILE 42 H ILE 42 20.318 -13.337 10.840 320 HA ILE 42 HA ILE 42 20.237 -15.389 8.986 321 HB ILE 42 HB ILE 42 22.284 -14.573 11.053 322 1HG1 ILE 42 1HG1 ILE 42 22.545 -14.319 8.074 323 2HG1 ILE 42 2HG1 ILE 42 21.476 -13.209 8.933 324 1HG2 ILE 42 1HG2 ILE 42 22.332 -16.856 9.138 325 2HG2 ILE 42 2HG2 ILE 42 23.793 -15.874 9.245 326 3HG2 ILE 42 3HG2 ILE 42 23.158 -16.669 10.685 327 1HD1 ILE 42 1HD1 ILE 42 23.750 -13.241 10.517 328 2HD1 ILE 42 2HD1 ILE 42 24.402 -13.302 8.880 329 3HD1 ILE 42 3HD1 ILE 42 23.330 -11.984 9.353 330 H LYS 43 H LYS 43 19.954 -15.701 12.467 331 HA LYS 43 HA LYS 43 20.462 -18.595 12.485 332 1HB LYS 43 1HB LYS 43 20.770 -16.641 14.283 333 2HB LYS 43 2HB LYS 43 19.126 -17.117 14.713 334 1HG LYS 43 1HG LYS 43 20.414 -19.550 14.423 335 2HG LYS 43 2HG LYS 43 21.651 -18.534 15.164 336 1HD LYS 43 1HD LYS 43 19.690 -17.791 16.750 337 2HD LYS 43 2HD LYS 43 18.951 -19.305 16.228 338 1HE LYS 43 1HE LYS 43 21.382 -20.270 16.795 339 2HE LYS 43 2HE LYS 43 21.399 -18.873 17.891 340 1HZ LYS 43 1HZ LYS 43 19.200 -19.548 18.691 341 2HZ LYS 43 2HZ LYS 43 19.255 -20.924 17.702 342 3HZ LYS 43 3HZ LYS 43 20.363 -20.752 18.980 343 H ARG 44 H ARG 44 17.619 -16.449 12.768 344 HA ARG 44 HA ARG 44 15.688 -18.502 13.271 345 1HB ARG 44 1HB ARG 44 15.760 -15.673 12.332 346 2HB ARG 44 2HB ARG 44 14.262 -16.567 12.063 347 1HG ARG 44 1HG ARG 44 15.640 -16.555 14.750 348 2HG ARG 44 2HG ARG 44 14.476 -15.308 14.299 349 1HD ARG 44 1HD ARG 44 13.133 -17.607 13.585 350 2HD ARG 44 2HD ARG 44 13.996 -18.113 15.052 351 HE ARG 44 HE ARG 44 11.879 -16.106 14.931 352 1HH1 ARG 44 1HH1 ARG 44 14.736 -17.204 16.532 353 2HH1 ARG 44 2HH1 ARG 44 14.335 -16.450 18.038 354 1HH2 ARG 44 1HH2 ARG 44 11.349 -15.119 16.891 355 2HH2 ARG 44 2HH2 ARG 44 12.421 -15.274 18.243 356 H MET 45 H MET 45 15.860 -16.653 10.213 357 HA MET 45 HA MET 45 14.442 -18.409 8.590 358 1HB MET 45 1HB MET 45 15.955 -17.394 6.777 359 2HB MET 45 2HB MET 45 15.089 -16.257 7.807 360 1HG MET 45 1HG MET 45 17.534 -16.883 9.120 361 2HG MET 45 2HG MET 45 17.923 -16.528 7.438 362 1HE MET 45 1HE MET 45 15.959 -15.112 6.418 363 2HE MET 45 2HE MET 45 14.979 -13.982 7.362 364 3HE MET 45 3HE MET 45 16.432 -13.419 6.540 365 HA PRO 46 HA PRO 46 17.080 -22.004 8.880 366 1HB PRO 46 1HB PRO 46 15.639 -23.402 6.919 367 2HB PRO 46 2HB PRO 46 15.327 -23.454 8.664 368 1HG PRO 46 1HG PRO 46 13.956 -21.908 6.542 369 2HG PRO 46 2HG PRO 46 13.306 -22.618 8.028 370 1HD PRO 46 1HD PRO 46 13.740 -19.975 7.768 371 2HD PRO 46 2HD PRO 46 13.932 -20.820 9.320 372 H ALA 47 H ALA 47 17.450 -23.565 6.509 373 HA ALA 47 HA ALA 47 19.278 -21.783 5.025 374 1HB ALA 47 1HB ALA 47 19.822 -24.093 5.911 375 2HB ALA 47 2HB ALA 47 18.709 -24.744 4.709 376 3HB ALA 47 3HB ALA 47 20.156 -23.879 4.193 377 H TYR 48 H TYR 48 17.211 -20.637 4.155 378 HA TYR 48 HA TYR 48 15.501 -20.392 2.509 379 1HB TYR 48 1HB TYR 48 16.613 -20.197 0.399 380 2HB TYR 48 2HB TYR 48 17.831 -19.854 1.624 381 HD1 TYR 48 HD1 TYR 48 16.809 -22.086 -1.061 382 HD2 TYR 48 HD2 TYR 48 19.481 -21.639 2.272 383 HE1 TYR 48 HE1 TYR 48 18.222 -23.917 -1.945 384 HE2 TYR 48 HE2 TYR 48 20.894 -23.471 1.385 385 HH TYR 48 HH TYR 48 20.500 -25.513 -0.155 386 H SER 49 H SER 49 15.336 -21.784 -0.004 387 HA SER 49 HA SER 49 15.201 -24.598 0.109 388 1HB SER 49 1HB SER 49 13.335 -23.234 1.835 389 2HB SER 49 2HB SER 49 12.446 -24.122 0.602 390 HG SER 49 HG SER 49 13.966 -25.029 2.702 391 H GLY 50 H GLY 50 15.726 -23.546 -2.112 392 1HA GLY 50 1HA GLY 50 14.459 -22.223 -3.958 393 2HA GLY 50 2HA GLY 50 13.189 -23.417 -3.681 394 HA PRO 51 HA PRO 51 15.327 -26.026 -6.453 395 1HB PRO 51 1HB PRO 51 14.660 -25.041 -8.960 396 2HB PRO 51 2HB PRO 51 13.580 -26.015 -7.944 397 1HG PRO 51 1HG PRO 51 13.640 -23.081 -8.371 398 2HG PRO 51 2HG PRO 51 12.260 -24.162 -8.123 399 1HD PRO 51 1HD PRO 51 13.225 -22.537 -6.183 400 2HD PRO 51 2HD PRO 51 12.450 -24.098 -5.840 401 H GLY 52 H GLY 52 15.635 -22.727 -7.837 402 1HA GLY 52 1HA GLY 52 17.512 -21.960 -9.150 403 2HA GLY 52 2HA GLY 52 18.433 -23.362 -8.602 404 H SER 53 H SER 53 17.770 -23.023 -5.789 405 HA SER 53 HA SER 53 18.225 -20.527 -4.685 406 1HB SER 53 1HB SER 53 19.115 -23.280 -3.808 407 2HB SER 53 2HB SER 53 19.066 -21.872 -2.752 408 HG SER 53 HG SER 53 17.093 -23.522 -3.407 409 H VAL 54 H VAL 54 20.548 -20.699 -3.147 410 HA VAL 54 HA VAL 54 22.784 -20.774 -5.138 411 HB VAL 54 HB VAL 54 23.540 -18.617 -3.976 412 1HG1 VAL 54 1HG1 VAL 54 22.207 -18.920 -6.219 413 2HG1 VAL 54 2HG1 VAL 54 20.868 -18.231 -5.300 414 3HG1 VAL 54 3HG1 VAL 54 22.358 -17.311 -5.514 415 1HG2 VAL 54 1HG2 VAL 54 21.741 -19.160 -2.103 416 2HG2 VAL 54 2HG2 VAL 54 22.099 -17.489 -2.540 417 3HG2 VAL 54 3HG2 VAL 54 20.664 -18.283 -3.190 418 HA PRO 55 HA PRO 55 25.008 -22.564 -1.818 419 1HB PRO 55 1HB PRO 55 27.531 -21.382 -2.120 420 2HB PRO 55 2HB PRO 55 26.939 -22.787 -3.024 421 1HG PRO 55 1HG PRO 55 27.087 -19.944 -3.833 422 2HG PRO 55 2HG PRO 55 27.266 -21.411 -4.807 423 1HD PRO 55 1HD PRO 55 25.042 -19.890 -4.880 424 2HD PRO 55 2HD PRO 55 25.001 -21.653 -5.105 425 H GLY 56 H GLY 56 23.608 -21.076 -0.360 426 1HA GLY 56 1HA GLY 56 25.315 -19.040 1.008 427 2HA GLY 56 2HA GLY 56 24.444 -20.258 1.941 428 H ALA 57 H ALA 57 21.986 -20.333 0.783 429 HA ALA 57 HA ALA 57 21.010 -17.501 0.732 430 1HB ALA 57 1HB ALA 57 20.372 -20.033 -0.633 431 2HB ALA 57 2HB ALA 57 18.948 -19.153 -0.079 432 3HB ALA 57 3HB ALA 57 20.099 -18.374 -1.165 433 H LEU 58 H LEU 58 18.996 -17.063 1.928 434 HA LEU 58 HA LEU 58 18.401 -19.020 4.115 435 1HB LEU 58 1HB LEU 58 18.673 -16.023 4.467 436 2HB LEU 58 2HB LEU 58 18.573 -17.249 5.732 437 HG LEU 58 HG LEU 58 20.827 -17.032 3.714 438 1HD1 LEU 58 1HD1 LEU 58 20.375 -15.853 6.405 439 2HD1 LEU 58 2HD1 LEU 58 21.966 -16.561 6.122 440 3HD1 LEU 58 3HD1 LEU 58 21.375 -15.271 5.074 441 1HD2 LEU 58 1HD2 LEU 58 19.948 -19.167 5.355 442 2HD2 LEU 58 2HD2 LEU 58 21.461 -19.064 4.455 443 3HD2 LEU 58 3HD2 LEU 58 21.391 -18.512 6.128 444 H ASP 59 H ASP 59 16.207 -18.980 4.804 445 HA ASP 59 HA ASP 59 14.364 -17.477 2.996 446 1HB ASP 59 1HB ASP 59 14.490 -20.113 4.208 447 2HB ASP 59 2HB ASP 59 12.960 -19.325 4.589 448 H TYR 60 H TYR 60 13.741 -15.550 3.913 449 HA TYR 60 HA TYR 60 13.635 -15.187 6.825 450 1HB TYR 60 1HB TYR 60 12.830 -12.901 6.078 451 2HB TYR 60 2HB TYR 60 14.383 -13.379 5.393 452 HD1 TYR 60 HD1 TYR 60 14.689 -13.256 3.084 453 HD2 TYR 60 HD2 TYR 60 10.708 -13.590 4.660 454 HE1 TYR 60 HE1 TYR 60 13.763 -13.008 0.797 455 HE2 TYR 60 HE2 TYR 60 9.781 -13.342 2.373 456 HH TYR 60 HH TYR 60 11.807 -13.439 -0.449 457 H ALA 61 H ALA 61 11.463 -16.122 4.288 458 HA ALA 61 HA ALA 61 8.960 -15.275 5.366 459 1HB ALA 61 1HB ALA 61 8.256 -16.364 3.504 460 2HB ALA 61 2HB ALA 61 8.948 -17.889 4.057 461 3HB ALA 61 3HB ALA 61 9.953 -16.726 3.193 462 H ALA 62 H ALA 62 10.897 -18.221 5.929 463 HA ALA 62 HA ALA 62 8.987 -19.531 7.631 464 1HB ALA 62 1HB ALA 62 10.684 -20.883 6.744 465 2HB ALA 62 2HB ALA 62 11.935 -19.685 7.074 466 3HB ALA 62 3HB ALA 62 11.256 -20.637 8.394 467 H PHE 63 H PHE 63 11.588 -17.252 8.211 468 HA PHE 63 HA PHE 63 11.502 -17.361 11.105 469 1HB PHE 63 1HB PHE 63 13.481 -16.605 9.995 470 2HB PHE 63 2HB PHE 63 12.577 -15.443 9.026 471 HD1 PHE 63 HD1 PHE 63 13.841 -13.492 9.720 472 HD2 PHE 63 HD2 PHE 63 11.921 -16.018 12.615 473 HE1 PHE 63 HE1 PHE 63 14.192 -11.762 11.461 474 HE2 PHE 63 HE2 PHE 63 12.271 -14.287 14.357 475 HZ PHE 63 HZ PHE 63 13.407 -12.160 13.780 476 H SER 64 H SER 64 9.908 -15.374 8.635 477 HA SER 64 HA SER 64 8.828 -13.346 10.319 478 1HB SER 64 1HB SER 64 7.756 -12.748 8.369 479 2HB SER 64 2HB SER 64 8.890 -13.904 7.677 480 HG SER 64 HG SER 64 6.638 -14.235 7.110 481 H SER 65 H SER 65 7.511 -16.533 9.385 482 HA SER 65 HA SER 65 4.978 -16.261 10.693 483 1HB SER 65 1HB SER 65 5.795 -17.958 8.964 484 2HB SER 65 2HB SER 65 6.595 -18.791 10.294 485 HG SER 65 HG SER 65 3.831 -18.274 9.932 486 H ALA 66 H ALA 66 8.142 -17.412 11.849 487 HA ALA 66 HA ALA 66 7.226 -18.407 14.391 488 1HB ALA 66 1HB ALA 66 9.639 -18.336 14.912 489 2HB ALA 66 2HB ALA 66 9.373 -18.966 13.286 490 3HB ALA 66 3HB ALA 66 9.913 -17.302 13.509 491 H LEU 67 H LEU 67 8.502 -15.234 13.357 492 HA LEU 67 HA LEU 67 8.669 -13.998 15.907 493 1HB LEU 67 1HB LEU 67 8.943 -13.343 13.183 494 2HB LEU 67 2HB LEU 67 7.731 -12.222 13.807 495 HG LEU 67 HG LEU 67 10.342 -12.736 15.242 496 1HD1 LEU 67 1HD1 LEU 67 10.364 -11.733 12.764 497 2HD1 LEU 67 2HD1 LEU 67 9.911 -10.262 13.625 498 3HD1 LEU 67 3HD1 LEU 67 11.414 -11.092 14.028 499 1HD2 LEU 67 1HD2 LEU 67 7.943 -11.200 15.741 500 2HD2 LEU 67 2HD2 LEU 67 9.340 -11.440 16.791 501 3HD2 LEU 67 3HD2 LEU 67 9.334 -10.122 15.619 502 H TYR 68 H TYR 68 5.920 -14.181 13.627 503 HA TYR 68 HA TYR 68 4.152 -12.932 15.670 504 1HB TYR 68 1HB TYR 68 4.054 -13.504 12.712 505 2HB TYR 68 2HB TYR 68 2.585 -13.082 13.590 506 HD1 TYR 68 HD1 TYR 68 5.404 -11.789 11.871 507 HD2 TYR 68 HD2 TYR 68 2.766 -10.969 15.161 508 HE1 TYR 68 HE1 TYR 68 6.035 -9.392 11.779 509 HE2 TYR 68 HE2 TYR 68 3.397 -8.573 15.069 510 HH TYR 68 HH TYR 68 5.220 -7.251 12.446 511 H GLY 69 H GLY 69 5.235 -15.925 15.349 512 1HA GLY 69 1HA GLY 69 3.046 -17.635 14.859 513 2HA GLY 69 2HA GLY 69 2.947 -17.169 16.557 514 H GLU 70 H GLU 70 4.334 -18.160 18.004 515 HA GLU 70 HA GLU 70 6.273 -20.134 16.846 516 1HB GLU 70 1HB GLU 70 7.678 -19.476 18.900 517 2HB GLU 70 2HB GLU 70 7.569 -18.279 17.609 518 1HG GLU 70 1HG GLU 70 6.412 -16.818 18.903 519 2HG GLU 70 2HG GLU 70 5.397 -18.089 19.584 520 H SER 71 H SER 71 5.266 -22.067 17.360 521 HA SER 71 HA SER 71 4.474 -23.814 18.749 522 1HB SER 71 1HB SER 71 6.379 -22.496 20.141 523 2HB SER 71 2HB SER 71 4.997 -22.184 21.186 524 HG SER 71 HG SER 71 4.614 -24.509 21.052 525 H ASP 72 H ASP 72 2.462 -24.326 19.717 526 HA ASP 72 HA ASP 72 0.414 -22.243 19.622 527 1HB ASP 72 1HB ASP 72 0.401 -24.831 19.075 528 2HB ASP 72 2HB ASP 72 0.039 -24.983 20.795 529 H LEU 73 H LEU 73 -0.502 -21.186 21.375 530 HA LEU 73 HA LEU 73 -0.031 -22.162 24.126 531 1HB LEU 73 1HB LEU 73 1.078 -20.024 24.752 532 2HB LEU 73 2HB LEU 73 2.004 -20.907 23.538 533 HG LEU 73 HG LEU 73 -0.019 -19.049 22.448 534 1HD1 LEU 73 1HD1 LEU 73 1.143 -17.968 24.559 535 2HD1 LEU 73 2HD1 LEU 73 2.519 -17.812 23.466 536 3HD1 LEU 73 3HD1 LEU 73 0.984 -17.041 23.067 537 1HD2 LEU 73 1HD2 LEU 73 2.796 -19.941 21.893 538 2HD2 LEU 73 2HD2 LEU 73 1.388 -19.971 20.831 539 3HD2 LEU 73 3HD2 LEU 73 2.210 -18.447 21.163 540 H GLY 7 H GLY 7 14.840 6.381 -0.166 541 1HA GLY 7 1HA GLY 7 12.243 6.742 0.186 542 2HA GLY 7 2HA GLY 7 13.183 6.253 1.596 543 H LYS 8 H LYS 8 12.469 4.241 -1.234 544 HA LYS 8 HA LYS 8 10.298 2.779 0.040 545 1HB LYS 8 1HB LYS 8 10.546 3.056 -2.396 546 2HB LYS 8 2HB LYS 8 12.081 2.187 -2.348 547 1HG LYS 8 1HG LYS 8 11.054 0.175 -2.303 548 2HG LYS 8 2HG LYS 8 9.919 0.699 -1.058 549 1HD LYS 8 1HD LYS 8 8.371 1.494 -2.608 550 2HD LYS 8 2HD LYS 8 9.592 1.723 -3.861 551 1HE LYS 8 1HE LYS 8 9.756 -0.988 -3.454 552 2HE LYS 8 2HE LYS 8 8.025 -0.691 -3.201 553 1HZ LYS 8 1HZ LYS 8 9.564 0.439 -5.473 554 2HZ LYS 8 2HZ LYS 8 8.682 -1.006 -5.580 555 3HZ LYS 8 3HZ LYS 8 7.879 0.456 -5.258 556 H LYS 9 H LYS 9 13.760 2.113 -0.565 557 HA LYS 9 HA LYS 9 13.764 -0.515 0.616 558 1HB LYS 9 1HB LYS 9 15.445 0.913 -0.912 559 2HB LYS 9 2HB LYS 9 16.177 1.247 0.658 560 1HG LYS 9 1HG LYS 9 15.865 -1.387 0.951 561 2HG LYS 9 2HG LYS 9 15.941 -1.344 -0.811 562 1HD LYS 9 1HD LYS 9 18.032 0.179 -0.433 563 2HD LYS 9 2HD LYS 9 18.032 -0.518 1.188 564 1HE LYS 9 1HE LYS 9 18.308 -2.742 0.338 565 2HE LYS 9 2HE LYS 9 17.952 -2.222 -1.322 566 1HZ LYS 9 1HZ LYS 9 20.123 -0.922 0.182 567 2HZ LYS 9 2HZ LYS 9 20.411 -2.424 -0.559 568 3HZ LYS 9 3HZ LYS 9 19.935 -1.095 -1.498 569 H ALA 10 H ALA 10 14.691 2.699 1.902 570 HA ALA 10 HA ALA 10 15.518 1.910 4.484 571 1HB ALA 10 1HB ALA 10 15.119 4.230 5.037 572 2HB ALA 10 2HB ALA 10 13.919 4.382 3.754 573 3HB ALA 10 3HB ALA 10 15.623 4.180 3.348 574 H GLU 11 H GLU 11 12.241 2.610 3.261 575 HA GLU 11 HA GLU 11 10.834 2.387 5.731 576 1HB GLU 11 1HB GLU 11 9.994 3.255 3.527 577 2HB GLU 11 2HB GLU 11 9.952 1.594 2.935 578 1HG GLU 11 1HG GLU 11 8.464 1.058 4.939 579 2HG GLU 11 2HG GLU 11 8.327 2.800 5.182 580 H ALA 12 H ALA 12 11.784 -0.067 3.331 581 HA ALA 12 HA ALA 12 10.438 -2.299 4.511 582 1HB ALA 12 1HB ALA 12 11.210 -2.860 2.438 583 2HB ALA 12 2HB ALA 12 12.559 -1.728 2.538 584 3HB ALA 12 3HB ALA 12 12.683 -3.317 3.294 585 H VAL 13 H VAL 13 13.726 -0.981 5.004 586 HA VAL 13 HA VAL 13 14.671 -3.001 6.786 587 HB VAL 13 HB VAL 13 15.286 -0.027 6.690 588 1HG1 VAL 13 1HG1 VAL 13 16.574 -2.409 7.970 589 2HG1 VAL 13 2HG1 VAL 13 17.611 -1.128 7.343 590 3HG1 VAL 13 3HG1 VAL 13 16.410 -0.763 8.581 591 1HG2 VAL 13 1HG2 VAL 13 15.889 -2.285 4.880 592 2HG2 VAL 13 2HG2 VAL 13 15.895 -0.551 4.556 593 3HG2 VAL 13 3HG2 VAL 13 17.288 -1.309 5.328 594 H ALA 14 H ALA 14 12.873 0.021 7.381 595 HA ALA 14 HA ALA 14 12.921 0.005 10.221 596 1HB ALA 14 1HB ALA 14 12.083 1.765 8.558 597 2HB ALA 14 2HB ALA 14 10.599 0.819 8.451 598 3HB ALA 14 3HB ALA 14 11.080 1.533 9.990 599 H THR 15 H THR 15 10.770 -1.640 7.913 600 HA THR 15 HA THR 15 8.973 -2.747 9.883 601 HB THR 15 HB THR 15 9.620 -4.014 7.229 602 HG1 THR 15 HG1 THR 15 8.282 -2.349 6.313 603 1HG2 THR 15 1HG2 THR 15 7.698 -4.547 9.034 604 2HG2 THR 15 2HG2 THR 15 6.877 -3.285 8.116 605 3HG2 THR 15 3HG2 THR 15 7.446 -4.740 7.299 606 H VAL 16 H VAL 16 11.799 -4.092 8.137 607 HA VAL 16 HA VAL 16 11.762 -6.663 9.400 608 HB VAL 16 HB VAL 16 14.110 -5.058 8.333 609 1HG1 VAL 16 1HG1 VAL 16 13.580 -8.014 8.722 610 2HG1 VAL 16 2HG1 VAL 16 14.882 -7.402 7.702 611 3HG1 VAL 16 3HG1 VAL 16 14.877 -7.051 9.431 612 1HG2 VAL 16 1HG2 VAL 16 11.753 -5.744 6.994 613 2HG2 VAL 16 2HG2 VAL 16 13.288 -5.315 6.241 614 3HG2 VAL 16 3HG2 VAL 16 12.894 -7.008 6.535 615 H VAL 17 H VAL 17 13.541 -3.655 10.193 616 HA VAL 17 HA VAL 17 14.931 -4.669 12.481 617 HB VAL 17 HB VAL 17 13.892 -1.878 11.871 618 1HG1 VAL 17 1HG1 VAL 17 15.225 -2.889 14.135 619 2HG1 VAL 17 2HG1 VAL 17 16.464 -2.058 13.194 620 3HG1 VAL 17 3HG1 VAL 17 15.013 -1.193 13.701 621 1HG2 VAL 17 1HG2 VAL 17 15.444 -3.301 10.204 622 2HG2 VAL 17 2HG2 VAL 17 15.681 -1.571 10.448 623 3HG2 VAL 17 3HG2 VAL 17 16.697 -2.730 11.306 624 H ALA 18 H ALA 18 11.858 -2.848 12.226 625 HA ALA 18 HA ALA 18 11.156 -2.799 14.966 626 1HB ALA 18 1HB ALA 18 9.825 -2.635 12.315 627 2HB ALA 18 2HB ALA 18 9.741 -1.523 13.682 628 3HB ALA 18 3HB ALA 18 8.767 -2.993 13.680 629 H ALA 19 H ALA 19 10.490 -5.286 12.487 630 HA ALA 19 HA ALA 19 8.964 -7.028 14.196 631 1HB ALA 19 1HB ALA 19 8.819 -8.216 12.254 632 2HB ALA 19 2HB ALA 19 10.569 -8.229 12.032 633 3HB ALA 19 3HB ALA 19 9.627 -6.824 11.532 634 H VAL 20 H VAL 20 12.429 -6.769 13.448 635 HA VAL 20 HA VAL 20 13.266 -9.179 14.769 636 HB VAL 20 HB VAL 20 14.586 -6.526 14.133 637 1HG1 VAL 20 1HG1 VAL 20 15.621 -8.969 15.521 638 2HG1 VAL 20 2HG1 VAL 20 16.690 -8.127 14.400 639 3HG1 VAL 20 3HG1 VAL 20 16.022 -7.274 15.791 640 1HG2 VAL 20 1HG2 VAL 20 13.751 -8.488 12.449 641 2HG2 VAL 20 2HG2 VAL 20 15.159 -7.475 12.130 642 3HG2 VAL 20 3HG2 VAL 20 15.367 -9.079 12.834 643 H ASP 21 H ASP 21 12.905 -5.812 15.885 644 HA ASP 21 HA ASP 21 13.959 -6.167 18.515 645 1HB ASP 21 1HB ASP 21 12.954 -4.134 16.951 646 2HB ASP 21 2HB ASP 21 11.709 -4.294 18.191 647 H GLN 22 H GLN 22 10.768 -6.823 17.137 648 HA GLN 22 HA GLN 22 9.257 -7.093 19.525 649 1HB GLN 22 1HB GLN 22 9.047 -7.549 16.730 650 2HB GLN 22 2HB GLN 22 8.540 -9.038 17.526 651 1HG GLN 22 1HG GLN 22 7.507 -6.579 18.782 652 2HG GLN 22 2HG GLN 22 6.918 -6.859 17.143 653 2HE2 GLN 22 2HE2 GLN 22 7.470 -8.779 20.159 654 1HE2 GLN 22 1HE2 GLN 22 6.044 -9.688 20.009 655 H ALA 23 H ALA 23 11.003 -9.615 17.661 656 HA ALA 23 HA ALA 23 10.524 -11.730 19.550 657 1HB ALA 23 1HB ALA 23 11.644 -12.929 17.965 658 2HB ALA 23 2HB ALA 23 11.553 -11.445 17.016 659 3HB ALA 23 3HB ALA 23 13.004 -11.806 17.951 660 H ARG 24 H ARG 24 13.074 -9.300 19.217 661 HA ARG 24 HA ARG 24 14.948 -10.397 21.081 662 1HB ARG 24 1HB ARG 24 14.960 -8.388 19.334 663 2HB ARG 24 2HB ARG 24 14.535 -7.446 20.765 664 1HG ARG 24 1HG ARG 24 16.505 -8.323 21.944 665 2HG ARG 24 2HG ARG 24 16.927 -9.297 20.537 666 1HD ARG 24 1HD ARG 24 16.548 -6.637 19.602 667 2HD ARG 24 2HD ARG 24 17.585 -6.547 21.040 668 HE ARG 24 HE ARG 24 18.573 -8.726 19.629 669 1HH1 ARG 24 1HH1 ARG 24 17.901 -5.406 18.953 670 2HH1 ARG 24 2HH1 ARG 24 19.190 -5.244 17.810 671 1HH2 ARG 24 1HH2 ARG 24 20.262 -8.526 18.144 672 2HH2 ARG 24 2HH2 ARG 24 20.524 -7.010 17.348 673 H VAL 25 H VAL 25 12.125 -8.278 21.520 674 HA VAL 25 HA VAL 25 12.536 -7.463 24.179 675 HB VAL 25 HB VAL 25 10.621 -7.194 22.259 676 1HG1 VAL 25 1HG1 VAL 25 9.712 -9.484 23.014 677 2HG1 VAL 25 2HG1 VAL 25 9.180 -8.655 24.477 678 3HG1 VAL 25 3HG1 VAL 25 8.553 -8.160 22.904 679 1HG2 VAL 25 1HG2 VAL 25 11.119 -5.616 24.081 680 2HG2 VAL 25 2HG2 VAL 25 9.381 -5.870 23.931 681 3HG2 VAL 25 3HG2 VAL 25 10.280 -6.663 25.225 682 H ARG 26 H ARG 26 11.796 -10.602 22.931 683 HA ARG 26 HA ARG 26 10.876 -11.683 25.515 684 1HB ARG 26 1HB ARG 26 10.359 -12.264 22.927 685 2HB ARG 26 2HB ARG 26 11.656 -13.421 23.227 686 1HG ARG 26 1HG ARG 26 9.859 -13.419 25.471 687 2HG ARG 26 2HG ARG 26 8.932 -13.644 23.987 688 1HD ARG 26 1HD ARG 26 10.575 -15.446 23.322 689 2HD ARG 26 2HD ARG 26 11.282 -15.311 24.945 690 HE ARG 26 HE ARG 26 8.631 -15.561 25.526 691 1HH1 ARG 26 1HH1 ARG 26 10.778 -17.282 23.434 692 2HH1 ARG 26 2HH1 ARG 26 9.889 -18.764 23.532 693 1HH2 ARG 26 1HH2 ARG 26 7.469 -17.488 25.661 694 2HH2 ARG 26 2HH2 ARG 26 8.018 -18.881 24.790 695 H GLU 27 H GLU 27 13.749 -10.602 24.880 696 HA GLU 27 HA GLU 27 15.276 -13.057 25.665 697 1HB GLU 27 1HB GLU 27 15.666 -11.300 23.627 698 2HB GLU 27 2HB GLU 27 16.650 -10.543 24.880 699 1HG GLU 27 1HG GLU 27 17.163 -13.338 24.988 700 2HG GLU 27 2HG GLU 27 17.259 -12.856 23.294 701 HA PRO 28 HA PRO 28 15.152 -11.161 29.718 702 1HB PRO 28 1HB PRO 28 17.044 -12.880 30.803 703 2HB PRO 28 2HB PRO 28 15.303 -13.211 30.734 704 1HG PRO 28 1HG PRO 28 17.488 -14.215 29.007 705 2HG PRO 28 2HG PRO 28 15.994 -15.010 29.523 706 1HD PRO 28 1HD PRO 28 16.357 -13.985 27.033 707 2HD PRO 28 2HD PRO 28 14.770 -14.112 27.817 708 H ARG 29 H ARG 29 17.458 -11.008 31.278 709 HA ARG 29 HA ARG 29 19.070 -9.074 29.723 710 1HB ARG 29 1HB ARG 29 19.956 -8.571 32.010 711 2HB ARG 29 2HB ARG 29 18.195 -8.492 31.933 712 1HG ARG 29 1HG ARG 29 18.035 -10.074 33.521 713 2HG ARG 29 2HG ARG 29 18.953 -11.194 32.514 714 1HD ARG 29 1HD ARG 29 21.068 -10.025 33.346 715 2HD ARG 29 2HD ARG 29 20.036 -9.223 34.547 716 HE ARG 29 HE ARG 29 19.302 -11.861 34.792 717 1HH1 ARG 29 1HH1 ARG 29 22.319 -10.177 34.744 718 2HH1 ARG 29 2HH1 ARG 29 23.111 -11.305 35.794 719 1HH2 ARG 29 1HH2 ARG 29 20.328 -13.335 36.160 720 2HH2 ARG 29 2HH2 ARG 29 21.986 -13.088 36.593 No H/Q in entry = 720 Start of MODEL 2 1 H MET 1 H MET 1 -8.725 -13.494 -0.546 2 HA MET 1 HA MET 1 -8.177 -14.444 -3.041 3 1HB MET 1 1HB MET 1 -9.546 -12.329 -3.662 4 2HB MET 1 2HB MET 1 -8.070 -11.436 -3.296 5 1HG MET 1 1HG MET 1 -8.101 -11.939 -5.675 6 2HG MET 1 2HG MET 1 -6.842 -12.906 -4.909 7 1HE MET 1 1HE MET 1 -9.876 -12.628 -6.893 8 2HE MET 1 2HE MET 1 -10.700 -14.184 -6.907 9 3HE MET 1 3HE MET 1 -10.821 -13.143 -5.490 10 H ALA 2 H ALA 2 -7.006 -11.372 -1.594 11 HA ALA 2 HA ALA 2 -4.618 -12.573 -0.479 12 1HB ALA 2 1HB ALA 2 -4.346 -11.009 -3.067 13 2HB ALA 2 2HB ALA 2 -4.225 -12.764 -2.945 14 3HB ALA 2 3HB ALA 2 -3.032 -11.741 -2.147 15 H ASP 3 H ASP 3 -4.050 -11.185 1.148 16 HA ASP 3 HA ASP 3 -4.360 -8.245 0.710 17 1HB ASP 3 1HB ASP 3 -5.940 -10.010 2.370 18 2HB ASP 3 2HB ASP 3 -5.108 -8.824 3.375 19 H THR 4 H THR 4 -3.337 -7.104 2.766 20 HA THR 4 HA THR 4 -0.604 -8.138 3.034 21 HB THR 4 HB THR 4 -1.238 -5.735 2.705 22 HG1 THR 4 HG1 THR 4 0.692 -6.521 3.894 23 1HG2 THR 4 1HG2 THR 4 -2.352 -6.074 5.503 24 2HG2 THR 4 2HG2 THR 4 -2.124 -4.521 4.698 25 3HG2 THR 4 3HG2 THR 4 -3.270 -5.693 4.047 26 H ASP 5 H ASP 5 0.290 -7.821 5.460 27 HA ASP 5 HA ASP 5 -1.392 -8.378 7.697 28 1HB ASP 5 1HB ASP 5 -1.060 -10.510 5.828 29 2HB ASP 5 2HB ASP 5 -0.192 -10.952 7.297 30 H THR 6 H THR 6 -0.045 -9.327 9.562 31 HA THR 6 HA THR 6 2.346 -7.909 9.974 32 HB THR 6 HB THR 6 2.636 -10.046 11.603 33 HG1 THR 6 HG1 THR 6 0.356 -10.685 11.972 34 1HG2 THR 6 1HG2 THR 6 0.589 -7.824 11.734 35 2HG2 THR 6 2HG2 THR 6 0.914 -8.903 13.092 36 3HG2 THR 6 3HG2 THR 6 2.193 -7.860 12.468 37 H ALA 7 H ALA 7 2.002 -11.344 9.003 38 HA ALA 7 HA ALA 7 4.810 -11.839 8.683 39 1HB ALA 7 1HB ALA 7 2.204 -13.086 7.990 40 2HB ALA 7 2HB ALA 7 3.584 -13.618 7.030 41 3HB ALA 7 3HB ALA 7 3.610 -13.795 8.784 42 H GLU 8 H GLU 8 2.261 -11.012 6.313 43 HA GLU 8 HA GLU 8 3.816 -11.001 3.960 44 1HB GLU 8 1HB GLU 8 1.241 -10.348 4.784 45 2HB GLU 8 2HB GLU 8 1.873 -8.817 4.175 46 1HG GLU 8 1HG GLU 8 0.885 -9.946 2.299 47 2HG GLU 8 2HG GLU 8 2.633 -10.079 2.107 48 H GLN 9 H GLN 9 3.464 -8.516 6.474 49 HA GLN 9 HA GLN 9 4.803 -6.375 5.139 50 1HB GLN 9 1HB GLN 9 3.474 -6.699 7.449 51 2HB GLN 9 2HB GLN 9 5.119 -6.804 8.079 52 1HG GLN 9 1HG GLN 9 4.758 -4.508 8.179 53 2HG GLN 9 2HG GLN 9 5.501 -4.659 6.588 54 2HE2 GLN 9 2HE2 GLN 9 4.087 -2.469 6.528 55 1HE2 GLN 9 1HE2 GLN 9 2.528 -2.658 5.884 56 H VAL 10 H VAL 10 6.091 -8.872 7.373 57 HA VAL 10 HA VAL 10 8.824 -8.007 7.256 58 HB VAL 10 HB VAL 10 7.757 -10.817 7.654 59 1HG1 VAL 10 1HG1 VAL 10 10.286 -9.365 8.222 60 2HG1 VAL 10 2HG1 VAL 10 9.708 -10.443 9.493 61 3HG1 VAL 10 3HG1 VAL 10 10.023 -11.075 7.877 62 1HG2 VAL 10 1HG2 VAL 10 7.534 -8.350 9.331 63 2HG2 VAL 10 2HG2 VAL 10 6.406 -9.695 9.164 64 3HG2 VAL 10 3HG2 VAL 10 7.856 -9.877 10.152 65 H ILE 11 H ILE 11 7.012 -10.435 5.371 66 HA ILE 11 HA ILE 11 9.183 -11.389 3.783 67 HB ILE 11 HB ILE 11 6.190 -11.147 3.370 68 1HG1 ILE 11 1HG1 ILE 11 7.742 -13.690 3.757 69 2HG1 ILE 11 2HG1 ILE 11 7.406 -12.669 5.156 70 1HG2 ILE 11 1HG2 ILE 11 8.266 -12.567 1.678 71 2HG2 ILE 11 2HG2 ILE 11 6.529 -12.846 1.552 72 3HG2 ILE 11 3HG2 ILE 11 7.198 -11.261 1.165 73 1HD1 ILE 11 1HD1 ILE 11 4.954 -12.662 4.250 74 2HD1 ILE 11 2HD1 ILE 11 5.464 -14.089 3.349 75 3HD1 ILE 11 3HD1 ILE 11 5.539 -14.087 5.112 76 H ALA 12 H ALA 12 6.759 -8.829 3.135 77 HA ALA 12 HA ALA 12 7.722 -8.021 0.587 78 1HB ALA 12 1HB ALA 12 5.592 -7.345 1.739 79 2HB ALA 12 2HB ALA 12 6.544 -6.323 2.815 80 3HB ALA 12 3HB ALA 12 6.484 -5.970 1.088 81 H SER 13 H SER 13 8.671 -7.027 3.871 82 HA SER 13 HA SER 13 10.599 -5.040 3.059 83 1HB SER 13 1HB SER 13 10.637 -6.718 5.575 84 2HB SER 13 2HB SER 13 11.149 -5.042 5.382 85 HG SER 13 HG SER 13 9.062 -5.260 6.350 86 H PHE 14 H PHE 14 10.789 -8.523 3.793 87 HA PHE 14 HA PHE 14 13.667 -8.724 3.578 88 1HB PHE 14 1HB PHE 14 11.279 -10.470 3.754 89 2HB PHE 14 2HB PHE 14 12.684 -11.205 2.979 90 HD1 PHE 14 HD1 PHE 14 11.124 -10.600 6.074 91 HD2 PHE 14 HD2 PHE 14 15.000 -10.713 4.226 92 HE1 PHE 14 HE1 PHE 14 12.174 -10.937 8.295 93 HE2 PHE 14 HE2 PHE 14 16.049 -11.051 6.448 94 HZ PHE 14 HZ PHE 14 14.636 -11.163 8.483 95 H ARG 15 H ARG 15 11.001 -9.340 1.272 96 HA ARG 15 HA ARG 15 12.499 -10.238 -0.941 97 1HB ARG 15 1HB ARG 15 9.958 -9.980 -0.545 98 2HB ARG 15 2HB ARG 15 10.169 -8.317 -1.095 99 1HG ARG 15 1HG ARG 15 9.584 -9.538 -3.049 100 2HG ARG 15 2HG ARG 15 11.330 -9.314 -3.156 101 1HD ARG 15 1HD ARG 15 11.009 -11.622 -3.652 102 2HD ARG 15 2HD ARG 15 11.478 -11.619 -1.941 103 HE ARG 15 HE ARG 15 9.262 -12.236 -1.381 104 1HH1 ARG 15 1HH1 ARG 15 9.503 -11.053 -4.616 105 2HH1 ARG 15 2HH1 ARG 15 7.870 -11.458 -5.022 106 1HH2 ARG 15 1HH2 ARG 15 7.131 -12.769 -1.901 107 2HH2 ARG 15 2HH2 ARG 15 6.528 -12.426 -3.488 108 H ILE 16 H ILE 16 11.812 -6.911 0.134 109 HA ILE 16 HA ILE 16 13.023 -5.535 -2.058 110 HB ILE 16 HB ILE 16 12.509 -4.922 0.858 111 1HG1 ILE 16 1HG1 ILE 16 11.291 -3.846 -1.705 112 2HG1 ILE 16 2HG1 ILE 16 10.594 -5.147 -0.740 113 1HG2 ILE 16 1HG2 ILE 16 14.228 -3.501 -1.018 114 2HG2 ILE 16 2HG2 ILE 16 12.883 -2.495 -0.481 115 3HG2 ILE 16 3HG2 ILE 16 13.976 -3.212 0.704 116 1HD1 ILE 16 1HD1 ILE 16 10.531 -3.594 1.221 117 2HD1 ILE 16 2HD1 ILE 16 11.092 -2.298 0.166 118 3HD1 ILE 16 3HD1 ILE 16 9.522 -3.050 -0.120 119 H LEU 17 H LEU 17 14.371 -6.601 1.083 120 HA LEU 17 HA LEU 17 17.010 -5.547 0.679 121 1HB LEU 17 1HB LEU 17 15.916 -7.875 2.292 122 2HB LEU 17 2HB LEU 17 17.545 -7.225 2.482 123 HG LEU 17 HG LEU 17 14.947 -5.724 2.906 124 1HD1 LEU 17 1HD1 LEU 17 16.095 -7.428 4.633 125 2HD1 LEU 17 2HD1 LEU 17 17.071 -6.000 4.980 126 3HD1 LEU 17 3HD1 LEU 17 15.319 -5.938 5.169 127 1HD2 LEU 17 1HD2 LEU 17 17.809 -4.854 2.679 128 2HD2 LEU 17 2HD2 LEU 17 16.349 -4.047 2.107 129 3HD2 LEU 17 3HD2 LEU 17 16.756 -4.018 3.822 130 H ALA 18 H ALA 18 15.561 -8.729 -0.027 131 HA ALA 18 HA ALA 18 17.980 -9.966 -0.988 132 1HB ALA 18 1HB ALA 18 15.126 -10.569 -1.804 133 2HB ALA 18 2HB ALA 18 16.473 -11.701 -1.679 134 3HB ALA 18 3HB ALA 18 15.768 -11.004 -0.220 135 H SER 19 H SER 19 16.098 -7.468 -2.290 136 HA SER 19 HA SER 19 16.168 -6.393 -4.394 137 1HB SER 19 1HB SER 19 18.649 -7.104 -3.853 138 2HB SER 19 2HB SER 19 18.391 -8.273 -5.145 139 HG SER 19 HG SER 19 19.213 -6.042 -5.665 140 H ASP 20 H ASP 20 14.089 -7.863 -4.545 141 HA ASP 20 HA ASP 20 12.712 -9.183 -5.939 142 1HB ASP 20 1HB ASP 20 14.509 -7.709 -7.474 143 2HB ASP 20 2HB ASP 20 14.663 -9.345 -8.116 144 H LYS 21 H LYS 21 14.012 -10.728 -4.109 145 HA LYS 21 HA LYS 21 14.700 -13.170 -5.683 146 1HB LYS 21 1HB LYS 21 16.302 -11.755 -3.548 147 2HB LYS 21 2HB LYS 21 16.535 -13.474 -3.871 148 1HG LYS 21 1HG LYS 21 16.694 -12.662 -6.381 149 2HG LYS 21 2HG LYS 21 17.116 -11.121 -5.636 150 1HD LYS 21 1HD LYS 21 18.526 -13.334 -4.374 151 2HD LYS 21 2HD LYS 21 18.857 -13.257 -6.105 152 1HE LYS 21 1HE LYS 21 19.332 -10.778 -5.809 153 2HE LYS 21 2HE LYS 21 19.259 -11.055 -4.057 154 1HZ LYS 21 1HZ LYS 21 20.906 -12.749 -5.836 155 2HZ LYS 21 2HZ LYS 21 21.520 -11.319 -5.162 156 3HZ LYS 21 3HZ LYS 21 21.007 -12.582 -4.148 157 HA PRO 22 HA PRO 22 12.023 -14.821 -2.604 158 1HB PRO 22 1HB PRO 22 12.536 -17.518 -3.133 159 2HB PRO 22 2HB PRO 22 11.350 -16.515 -3.989 160 1HG PRO 22 1HG PRO 22 14.087 -17.311 -4.793 161 2HG PRO 22 2HG PRO 22 12.646 -17.039 -5.787 162 1HD PRO 22 1HD PRO 22 14.680 -15.269 -5.656 163 2HD PRO 22 2HD PRO 22 12.991 -14.773 -5.906 164 H TYR 23 H TYR 23 15.292 -14.763 -2.456 165 HA TYR 23 HA TYR 23 15.317 -16.004 0.255 166 1HB TYR 23 1HB TYR 23 17.471 -17.146 -0.421 167 2HB TYR 23 2HB TYR 23 16.044 -17.755 -1.259 168 HD1 TYR 23 HD1 TYR 23 15.557 -17.026 -3.600 169 HD2 TYR 23 HD2 TYR 23 19.215 -15.991 -1.601 170 HE1 TYR 23 HE1 TYR 23 16.582 -16.437 -5.780 171 HE2 TYR 23 HE2 TYR 23 20.240 -15.402 -3.781 172 HH TYR 23 HH TYR 23 19.994 -15.687 -6.061 173 H ILE 24 H ILE 24 17.202 -15.245 1.524 174 HA ILE 24 HA ILE 24 18.433 -12.755 0.400 175 HB ILE 24 HB ILE 24 16.497 -12.933 2.352 176 1HG1 ILE 24 1HG1 ILE 24 17.024 -10.891 1.214 177 2HG1 ILE 24 2HG1 ILE 24 17.259 -10.583 2.934 178 1HG2 ILE 24 1HG2 ILE 24 18.127 -13.995 3.914 179 2HG2 ILE 24 2HG2 ILE 24 19.146 -12.563 3.779 180 3HG2 ILE 24 3HG2 ILE 24 17.542 -12.438 4.500 181 1HD1 ILE 24 1HD1 ILE 24 19.733 -11.400 2.374 182 2HD1 ILE 24 2HD1 ILE 24 19.291 -10.846 0.758 183 3HD1 ILE 24 3HD1 ILE 24 19.244 -9.725 2.119 184 H LEU 25 H LEU 25 20.630 -12.476 0.877 185 HA LEU 25 HA LEU 25 22.002 -14.847 2.056 186 1HB LEU 25 1HB LEU 25 22.408 -13.032 -0.135 187 2HB LEU 25 2HB LEU 25 23.795 -12.929 0.950 188 HG LEU 25 HG LEU 25 23.235 -15.664 0.804 189 1HD1 LEU 25 1HD1 LEU 25 22.672 -14.249 -1.781 190 2HD1 LEU 25 2HD1 LEU 25 23.483 -15.815 -1.824 191 3HD1 LEU 25 3HD1 LEU 25 21.886 -15.669 -1.091 192 1HD2 LEU 25 1HD2 LEU 25 25.430 -14.269 0.774 193 2HD2 LEU 25 2HD2 LEU 25 25.409 -15.796 -0.109 194 3HD2 LEU 25 3HD2 LEU 25 25.233 -14.272 -0.978 195 H ALA 26 H ALA 26 23.577 -14.560 3.722 196 HA ALA 26 HA ALA 26 23.021 -12.675 5.765 197 1HB ALA 26 1HB ALA 26 25.487 -14.282 5.035 198 2HB ALA 26 2HB ALA 26 24.223 -14.727 6.181 199 3HB ALA 26 3HB ALA 26 25.327 -13.404 6.555 200 H GLU 27 H GLU 27 25.218 -12.500 2.997 201 HA GLU 27 HA GLU 27 26.734 -10.210 3.770 202 1HB GLU 27 1HB GLU 27 25.911 -11.574 1.226 203 2HB GLU 27 2HB GLU 27 26.758 -10.033 1.129 204 1HG GLU 27 1HG GLU 27 28.659 -10.893 2.295 205 2HG GLU 27 2HG GLU 27 27.786 -12.345 2.784 206 H GLU 28 H GLU 28 23.611 -10.529 2.084 207 HA GLU 28 HA GLU 28 23.261 -7.713 1.548 208 1HB GLU 28 1HB GLU 28 21.687 -10.238 1.507 209 2HB GLU 28 2HB GLU 28 20.753 -8.745 1.602 210 1HG GLU 28 1HG GLU 28 20.983 -8.730 -0.664 211 2HG GLU 28 2HG GLU 28 22.588 -8.087 -0.313 212 H LEU 29 H LEU 29 21.975 -9.867 4.107 213 HA LEU 29 HA LEU 29 20.531 -7.877 5.554 214 1HB LEU 29 1HB LEU 29 21.728 -10.573 6.056 215 2HB LEU 29 2HB LEU 29 21.199 -9.642 7.458 216 HG LEU 29 HG LEU 29 19.419 -11.149 6.507 217 1HD1 LEU 29 1HD1 LEU 29 19.169 -8.185 6.800 218 2HD1 LEU 29 2HD1 LEU 29 17.777 -9.067 6.174 219 3HD1 LEU 29 3HD1 LEU 29 18.439 -9.473 7.758 220 1HD2 LEU 29 1HD2 LEU 29 20.204 -10.695 4.109 221 2HD2 LEU 29 2HD2 LEU 29 18.461 -10.673 4.371 222 3HD2 LEU 29 3HD2 LEU 29 19.351 -9.157 4.230 223 H ARG 30 H ARG 30 23.939 -8.842 5.612 224 HA ARG 30 HA ARG 30 24.676 -7.351 7.974 225 1HB ARG 30 1HB ARG 30 26.001 -8.682 5.644 226 2HB ARG 30 2HB ARG 30 26.971 -7.570 6.612 227 1HG ARG 30 1HG ARG 30 25.297 -9.658 7.979 228 2HG ARG 30 2HG ARG 30 26.860 -10.102 7.293 229 1HD ARG 30 1HD ARG 30 26.526 -7.745 9.175 230 2HD ARG 30 2HD ARG 30 26.940 -9.377 9.736 231 HE ARG 30 HE ARG 30 28.727 -7.584 8.313 232 1HH1 ARG 30 1HH1 ARG 30 27.787 -10.871 8.806 233 2HH1 ARG 30 2HH1 ARG 30 29.341 -11.512 8.392 234 1HH2 ARG 30 1HH2 ARG 30 30.756 -8.410 7.769 235 2HH2 ARG 30 2HH2 ARG 30 31.020 -10.122 7.805 236 H ARG 31 H ARG 31 24.504 -6.561 4.521 237 HA ARG 31 HA ARG 31 25.648 -3.866 4.979 238 1HB ARG 31 1HB ARG 31 25.416 -5.776 2.861 239 2HB ARG 31 2HB ARG 31 24.625 -4.289 2.339 240 1HG ARG 31 1HG ARG 31 27.351 -4.248 3.633 241 2HG ARG 31 2HG ARG 31 27.161 -4.494 1.897 242 1HD ARG 31 1HD ARG 31 26.509 -2.320 1.529 243 2HD ARG 31 2HD ARG 31 25.644 -2.214 3.075 244 HE ARG 31 HE ARG 31 28.387 -2.517 3.690 245 1HH1 ARG 31 1HH1 ARG 31 26.266 -0.295 2.111 246 2HH1 ARG 31 2HH1 ARG 31 27.223 1.094 2.499 247 1HH2 ARG 31 1HH2 ARG 31 29.643 -0.712 4.203 248 2HH2 ARG 31 2HH2 ARG 31 29.133 0.859 3.680 249 H GLU 32 H GLU 32 22.550 -5.380 4.878 250 HA GLU 32 HA GLU 32 21.204 -2.778 4.266 251 1HB GLU 32 1HB GLU 32 20.229 -5.651 4.349 252 2HB GLU 32 2HB GLU 32 19.233 -4.265 3.906 253 1HG GLU 32 1HG GLU 32 21.828 -4.624 2.471 254 2HG GLU 32 2HG GLU 32 20.502 -5.710 2.054 255 H LEU 33 H LEU 33 21.741 -5.137 6.802 256 HA LEU 33 HA LEU 33 19.880 -3.591 8.574 257 1HB LEU 33 1HB LEU 33 20.333 -6.461 8.019 258 2HB LEU 33 2HB LEU 33 20.162 -6.054 9.723 259 HG LEU 33 HG LEU 33 18.222 -5.145 7.584 260 1HD1 LEU 33 1HD1 LEU 33 18.547 -7.733 8.833 261 2HD1 LEU 33 2HD1 LEU 33 17.006 -7.017 9.310 262 3HD1 LEU 33 3HD1 LEU 33 17.387 -7.235 7.601 263 1HD2 LEU 33 1HD2 LEU 33 18.318 -3.783 9.657 264 2HD2 LEU 33 2HD2 LEU 33 16.786 -4.645 9.521 265 3HD2 LEU 33 3HD2 LEU 33 18.037 -5.238 10.613 266 HA PRO 34 HA PRO 34 23.264 -2.848 11.238 267 1HB PRO 34 1HB PRO 34 21.661 -3.782 13.561 268 2HB PRO 34 2HB PRO 34 22.407 -2.197 13.271 269 1HG PRO 34 1HG PRO 34 19.765 -2.586 13.079 270 2HG PRO 34 2HG PRO 34 20.633 -1.432 12.055 271 1HD PRO 34 1HD PRO 34 19.520 -4.094 11.370 272 2HD PRO 34 2HD PRO 34 19.717 -2.648 10.356 273 HA PRO 35 HA PRO 35 25.518 -6.595 11.599 274 1HB PRO 35 1HB PRO 35 26.750 -6.174 14.056 275 2HB PRO 35 2HB PRO 35 27.367 -5.579 12.503 276 1HG PRO 35 1HG PRO 35 25.851 -4.146 14.612 277 2HG PRO 35 2HG PRO 35 27.141 -3.562 13.548 278 1HD PRO 35 1HD PRO 35 24.540 -2.952 13.154 279 2HD PRO 35 2HD PRO 35 25.699 -3.121 11.817 280 H ASP 36 H ASP 36 23.944 -5.396 14.581 281 HA ASP 36 HA ASP 36 23.648 -7.959 15.836 282 1HB ASP 36 1HB ASP 36 22.562 -5.194 16.083 283 2HB ASP 36 2HB ASP 36 21.670 -6.478 16.901 284 H GLN 37 H GLN 37 21.544 -6.123 13.622 285 HA GLN 37 HA GLN 37 19.260 -7.871 13.847 286 1HB GLN 37 1HB GLN 37 20.223 -5.596 12.246 287 2HB GLN 37 2HB GLN 37 19.132 -6.667 11.368 288 1HG GLN 37 1HG GLN 37 17.805 -4.968 12.487 289 2HG GLN 37 2HG GLN 37 17.526 -6.514 13.288 290 2HE2 GLN 37 2HE2 GLN 37 18.006 -3.336 14.025 291 1HE2 GLN 37 1HE2 GLN 37 18.786 -3.495 15.524 292 H ALA 38 H ALA 38 21.914 -7.669 11.450 293 HA ALA 38 HA ALA 38 21.028 -9.759 9.734 294 1HB ALA 38 1HB ALA 38 23.862 -9.727 9.838 295 2HB ALA 38 2HB ALA 38 23.330 -8.084 10.193 296 3HB ALA 38 3HB ALA 38 22.824 -8.869 8.698 297 H GLN 39 H GLN 39 23.197 -9.880 12.580 298 HA GLN 39 HA GLN 39 23.766 -12.689 12.411 299 1HB GLN 39 1HB GLN 39 25.044 -10.977 13.685 300 2HB GLN 39 2HB GLN 39 23.687 -10.820 14.801 301 1HG GLN 39 1HG GLN 39 24.663 -12.471 15.998 302 2HG GLN 39 2HG GLN 39 24.129 -13.560 14.717 303 2HE2 GLN 39 2HE2 GLN 39 26.508 -14.156 16.123 304 1HE2 GLN 39 1HE2 GLN 39 27.837 -13.935 15.090 305 H TYR 40 H TYR 40 21.356 -10.877 14.345 306 HA TYR 40 HA TYR 40 20.213 -13.140 15.665 307 1HB TYR 40 1HB TYR 40 19.989 -10.637 16.136 308 2HB TYR 40 2HB TYR 40 18.807 -10.591 14.827 309 HD1 TYR 40 HD1 TYR 40 19.200 -11.002 18.296 310 HD2 TYR 40 HD2 TYR 40 16.957 -12.524 14.965 311 HE1 TYR 40 HE1 TYR 40 17.447 -11.817 19.849 312 HE2 TYR 40 HE2 TYR 40 15.203 -13.339 16.517 313 HH TYR 40 HH TYR 40 15.657 -13.642 19.806 314 H CYS 41 H CYS 41 19.235 -11.450 12.663 315 HA CYS 41 HA CYS 41 16.943 -13.031 12.077 316 1HB CYS 41 1HB CYS 41 18.940 -11.596 10.298 317 2HB CYS 41 2HB CYS 41 17.352 -12.154 9.767 318 HG CYS 41 HG CYS 41 16.839 -10.488 12.146 319 H ILE 42 H ILE 42 20.352 -13.448 11.066 320 HA ILE 42 HA ILE 42 20.062 -15.667 9.356 321 HB ILE 42 HB ILE 42 22.186 -14.712 11.275 322 1HG1 ILE 42 1HG1 ILE 42 22.320 -14.968 8.271 323 2HG1 ILE 42 2HG1 ILE 42 21.523 -13.588 9.028 324 1HG2 ILE 42 1HG2 ILE 42 22.320 -17.106 9.416 325 2HG2 ILE 42 2HG2 ILE 42 23.725 -16.354 10.170 326 3HG2 ILE 42 3HG2 ILE 42 22.495 -17.125 11.171 327 1HD1 ILE 42 1HD1 ILE 42 23.791 -13.563 10.455 328 2HD1 ILE 42 2HD1 ILE 42 24.413 -14.320 8.988 329 3HD1 ILE 42 3HD1 ILE 42 23.656 -12.729 8.907 330 H LYS 43 H LYS 43 19.769 -15.505 12.840 331 HA LYS 43 HA LYS 43 20.073 -18.390 13.262 332 1HB LYS 43 1HB LYS 43 20.381 -16.201 14.797 333 2HB LYS 43 2HB LYS 43 18.716 -16.598 15.222 334 1HG LYS 43 1HG LYS 43 20.208 -19.030 15.201 335 2HG LYS 43 2HG LYS 43 21.118 -17.848 16.142 336 1HD LYS 43 1HD LYS 43 19.155 -17.380 17.521 337 2HD LYS 43 2HD LYS 43 18.178 -18.475 16.541 338 1HE LYS 43 1HE LYS 43 20.693 -19.473 17.883 339 2HE LYS 43 2HE LYS 43 19.155 -19.407 18.768 340 1HZ LYS 43 1HZ LYS 43 18.158 -20.525 16.754 341 2HZ LYS 43 2HZ LYS 43 19.743 -20.844 16.244 342 3HZ LYS 43 3HZ LYS 43 19.177 -21.494 17.708 343 H ARG 44 H ARG 44 17.504 -16.230 12.379 344 HA ARG 44 HA ARG 44 15.379 -18.109 13.236 345 1HB ARG 44 1HB ARG 44 15.529 -15.354 12.007 346 2HB ARG 44 2HB ARG 44 13.994 -16.214 12.138 347 1HG ARG 44 1HG ARG 44 15.859 -15.623 14.456 348 2HG ARG 44 2HG ARG 44 14.383 -14.729 14.090 349 1HD ARG 44 1HD ARG 44 13.194 -17.038 14.203 350 2HD ARG 44 2HD ARG 44 14.660 -17.580 15.045 351 HE ARG 44 HE ARG 44 13.911 -15.117 16.211 352 1HH1 ARG 44 1HH1 ARG 44 12.702 -18.329 15.812 353 2HH1 ARG 44 2HH1 ARG 44 11.785 -18.304 17.280 354 1HH2 ARG 44 1HH2 ARG 44 12.716 -15.074 18.126 355 2HH2 ARG 44 2HH2 ARG 44 11.792 -16.464 18.588 356 H MET 45 H MET 45 15.931 -16.366 10.153 357 HA MET 45 HA MET 45 14.477 -18.130 8.501 358 1HB MET 45 1HB MET 45 15.978 -17.099 6.725 359 2HB MET 45 2HB MET 45 15.180 -15.940 7.785 360 1HG MET 45 1HG MET 45 17.561 -16.619 9.109 361 2HG MET 45 2HG MET 45 18.016 -16.425 7.416 362 1HE MET 45 1HE MET 45 16.259 -14.915 6.193 363 2HE MET 45 2HE MET 45 15.173 -13.884 7.122 364 3HE MET 45 3HE MET 45 16.593 -13.186 6.348 365 HA PRO 46 HA PRO 46 17.360 -21.554 8.977 366 1HB PRO 46 1HB PRO 46 15.374 -23.004 7.341 367 2HB PRO 46 2HB PRO 46 15.989 -23.387 8.960 368 1HG PRO 46 1HG PRO 46 13.495 -22.479 8.537 369 2HG PRO 46 2HG PRO 46 14.412 -22.119 10.008 370 1HD PRO 46 1HD PRO 46 13.836 -20.375 7.668 371 2HD PRO 46 2HD PRO 46 13.976 -19.957 9.390 372 H ALA 47 H ALA 47 17.508 -23.430 6.841 373 HA ALA 47 HA ALA 47 19.116 -21.972 4.933 374 1HB ALA 47 1HB ALA 47 18.986 -24.508 5.835 375 2HB ALA 47 2HB ALA 47 18.069 -24.699 4.340 376 3HB ALA 47 3HB ALA 47 19.727 -24.098 4.288 377 H TYR 48 H TYR 48 18.673 -21.665 2.668 378 HA TYR 48 HA TYR 48 16.072 -20.765 1.984 379 1HB TYR 48 1HB TYR 48 17.013 -20.541 -0.227 380 2HB TYR 48 2HB TYR 48 18.293 -20.199 0.931 381 HD1 TYR 48 HD1 TYR 48 18.966 -20.889 -1.835 382 HD2 TYR 48 HD2 TYR 48 18.223 -23.478 1.515 383 HE1 TYR 48 HE1 TYR 48 20.371 -22.644 -2.878 384 HE2 TYR 48 HE2 TYR 48 19.623 -25.229 0.472 385 HH TYR 48 HH TYR 48 21.479 -25.355 -1.183 386 H SER 49 H SER 49 15.055 -21.784 -0.212 387 HA SER 49 HA SER 49 15.011 -24.735 -0.183 388 1HB SER 49 1HB SER 49 12.617 -24.800 0.421 389 2HB SER 49 2HB SER 49 13.557 -24.038 1.700 390 HG SER 49 HG SER 49 12.139 -22.496 1.426 391 H GLY 50 H GLY 50 15.664 -22.772 -2.212 392 1HA GLY 50 1HA GLY 50 14.867 -21.930 -4.312 393 2HA GLY 50 2HA GLY 50 13.309 -22.696 -3.999 394 HA PRO 51 HA PRO 51 14.983 -25.867 -6.554 395 1HB PRO 51 1HB PRO 51 15.062 -24.244 -9.027 396 2HB PRO 51 2HB PRO 51 14.007 -25.607 -8.610 397 1HG PRO 51 1HG PRO 51 13.121 -23.073 -8.712 398 2HG PRO 51 2HG PRO 51 12.458 -24.279 -7.597 399 1HD PRO 51 1HD PRO 51 14.300 -22.012 -7.050 400 2HD PRO 51 2HD PRO 51 13.037 -22.725 -6.023 401 H GLY 52 H GLY 52 16.622 -22.913 -7.759 402 1HA GLY 52 1HA GLY 52 18.802 -23.122 -8.941 403 2HA GLY 52 2HA GLY 52 19.143 -24.517 -7.916 404 H SER 53 H SER 53 17.786 -21.367 -6.989 405 HA SER 53 HA SER 53 18.845 -19.582 -5.815 406 1HB SER 53 1HB SER 53 19.190 -21.702 -3.782 407 2HB SER 53 2HB SER 53 18.366 -20.160 -3.656 408 HG SER 53 HG SER 53 16.598 -21.031 -4.445 409 H VAL 54 H VAL 54 20.652 -20.328 -3.564 410 HA VAL 54 HA VAL 54 23.157 -21.126 -4.935 411 HB VAL 54 HB VAL 54 24.229 -18.976 -4.372 412 1HG1 VAL 54 1HG1 VAL 54 22.972 -19.313 -6.547 413 2HG1 VAL 54 2HG1 VAL 54 21.609 -18.473 -5.808 414 3HG1 VAL 54 3HG1 VAL 54 23.141 -17.630 -6.047 415 1HG2 VAL 54 1HG2 VAL 54 21.460 -18.269 -3.350 416 2HG2 VAL 54 2HG2 VAL 54 22.931 -18.402 -2.387 417 3HG2 VAL 54 3HG2 VAL 54 22.767 -17.106 -3.571 418 HA PRO 55 HA PRO 55 24.104 -22.630 -0.942 419 1HB PRO 55 1HB PRO 55 26.862 -22.290 -0.904 420 2HB PRO 55 2HB PRO 55 26.024 -23.646 -1.683 421 1HG PRO 55 1HG PRO 55 27.162 -21.184 -2.882 422 2HG PRO 55 2HG PRO 55 27.084 -22.830 -3.531 423 1HD PRO 55 1HD PRO 55 25.441 -20.849 -4.360 424 2HD PRO 55 2HD PRO 55 24.954 -22.558 -4.334 425 H GLY 56 H GLY 56 23.743 -21.522 0.939 426 1HA GLY 56 1HA GLY 56 25.234 -18.965 1.370 427 2HA GLY 56 2HA GLY 56 24.698 -20.028 2.673 428 H ALA 57 H ALA 57 22.537 -19.567 0.012 429 HA ALA 57 HA ALA 57 21.152 -17.212 0.888 430 1HB ALA 57 1HB ALA 57 19.318 -18.306 -0.551 431 2HB ALA 57 2HB ALA 57 20.867 -18.014 -1.342 432 3HB ALA 57 3HB ALA 57 20.453 -19.635 -0.783 433 H LEU 58 H LEU 58 19.453 -16.976 2.350 434 HA LEU 58 HA LEU 58 18.591 -19.445 3.825 435 1HB LEU 58 1HB LEU 58 19.117 -16.603 4.746 436 2HB LEU 58 2HB LEU 58 18.379 -17.837 5.768 437 HG LEU 58 HG LEU 58 20.747 -18.912 4.530 438 1HD1 LEU 58 1HD1 LEU 58 21.005 -16.235 5.912 439 2HD1 LEU 58 2HD1 LEU 58 22.340 -17.387 5.845 440 3HD1 LEU 58 3HD1 LEU 58 21.670 -16.724 4.354 441 1HD2 LEU 58 1HD2 LEU 58 19.893 -18.270 7.366 442 2HD2 LEU 58 2HD2 LEU 58 19.827 -19.834 6.554 443 3HD2 LEU 58 3HD2 LEU 58 21.385 -19.129 6.983 444 H ASP 59 H ASP 59 16.360 -19.310 4.690 445 HA ASP 59 HA ASP 59 14.585 -17.793 2.846 446 1HB ASP 59 1HB ASP 59 14.082 -20.103 2.960 447 2HB ASP 59 2HB ASP 59 14.322 -20.157 4.705 448 H TYR 60 H TYR 60 14.058 -15.775 3.628 449 HA TYR 60 HA TYR 60 13.991 -15.192 6.498 450 1HB TYR 60 1HB TYR 60 13.324 -12.947 5.641 451 2HB TYR 60 2HB TYR 60 14.747 -13.568 4.806 452 HD1 TYR 60 HD1 TYR 60 14.763 -13.661 2.468 453 HD2 TYR 60 HD2 TYR 60 11.008 -13.522 4.549 454 HE1 TYR 60 HE1 TYR 60 13.569 -13.491 0.301 455 HE2 TYR 60 HE2 TYR 60 9.814 -13.351 2.383 456 HH TYR 60 HH TYR 60 11.606 -13.208 -0.696 457 H ALA 61 H ALA 61 11.744 -16.168 4.020 458 HA ALA 61 HA ALA 61 9.283 -15.246 5.117 459 1HB ALA 61 1HB ALA 61 9.618 -17.926 3.787 460 2HB ALA 61 2HB ALA 61 8.351 -16.723 3.547 461 3HB ALA 61 3HB ALA 61 9.960 -16.453 2.879 462 H ALA 62 H ALA 62 11.134 -18.248 5.713 463 HA ALA 62 HA ALA 62 9.280 -19.486 7.487 464 1HB ALA 62 1HB ALA 62 10.949 -20.943 6.903 465 2HB ALA 62 2HB ALA 62 12.144 -19.653 6.762 466 3HB ALA 62 3HB ALA 62 11.739 -20.309 8.348 467 H PHE 63 H PHE 63 11.723 -17.028 7.989 468 HA PHE 63 HA PHE 63 11.677 -17.066 10.884 469 1HB PHE 63 1HB PHE 63 13.572 -16.168 9.749 470 2HB PHE 63 2HB PHE 63 12.567 -15.132 8.736 471 HD1 PHE 63 HD1 PHE 63 11.792 -15.547 12.295 472 HD2 PHE 63 HD2 PHE 63 13.829 -13.116 9.397 473 HE1 PHE 63 HE1 PHE 63 11.990 -13.723 13.963 474 HE2 PHE 63 HE2 PHE 63 14.026 -11.292 11.066 475 HZ PHE 63 HZ PHE 63 13.108 -11.596 13.350 476 H SER 64 H SER 64 9.916 -15.227 8.399 477 HA SER 64 HA SER 64 8.671 -13.306 10.101 478 1HB SER 64 1HB SER 64 7.317 -14.537 7.715 479 2HB SER 64 2HB SER 64 7.399 -12.842 8.189 480 HG SER 64 HG SER 64 9.770 -13.158 7.805 481 H SER 65 H SER 65 7.697 -16.611 9.196 482 HA SER 65 HA SER 65 5.111 -16.540 10.465 483 1HB SER 65 1HB SER 65 5.373 -19.039 10.237 484 2HB SER 65 2HB SER 65 5.697 -18.153 8.750 485 HG SER 65 HG SER 65 7.283 -19.829 9.951 486 H ALA 66 H ALA 66 8.320 -17.660 11.568 487 HA ALA 66 HA ALA 66 7.487 -18.690 14.103 488 1HB ALA 66 1HB ALA 66 9.739 -19.053 14.321 489 2HB ALA 66 2HB ALA 66 10.148 -17.401 13.859 490 3HB ALA 66 3HB ALA 66 9.766 -18.596 12.618 491 H LEU 67 H LEU 67 8.501 -15.426 13.095 492 HA LEU 67 HA LEU 67 8.704 -14.218 15.655 493 1HB LEU 67 1HB LEU 67 8.841 -13.508 12.954 494 2HB LEU 67 2HB LEU 67 7.534 -12.513 13.597 495 HG LEU 67 HG LEU 67 10.296 -12.749 14.828 496 1HD1 LEU 67 1HD1 LEU 67 9.402 -11.250 12.583 497 2HD1 LEU 67 2HD1 LEU 67 9.602 -10.115 13.919 498 3HD1 LEU 67 3HD1 LEU 67 10.953 -11.129 13.413 499 1HD2 LEU 67 1HD2 LEU 67 8.084 -12.184 16.191 500 2HD2 LEU 67 2HD2 LEU 67 9.571 -11.279 16.473 501 3HD2 LEU 67 3HD2 LEU 67 8.305 -10.598 15.452 502 H TYR 68 H TYR 68 5.851 -14.620 13.536 503 HA TYR 68 HA TYR 68 4.121 -13.448 15.653 504 1HB TYR 68 1HB TYR 68 3.923 -14.087 12.725 505 2HB TYR 68 2HB TYR 68 2.443 -13.880 13.661 506 HD1 TYR 68 HD1 TYR 68 5.436 -12.225 12.327 507 HD2 TYR 68 HD2 TYR 68 1.908 -11.727 14.727 508 HE1 TYR 68 HE1 TYR 68 5.707 -9.763 12.212 509 HE2 TYR 68 HE2 TYR 68 2.178 -9.264 14.611 510 HH TYR 68 HH TYR 68 4.210 -7.739 12.417 511 H GLY 69 H GLY 69 4.709 -16.496 13.937 512 1HA GLY 69 1HA GLY 69 2.632 -17.799 15.640 513 2HA GLY 69 2HA GLY 69 4.264 -18.466 15.572 514 H GLU 70 H GLU 70 1.277 -18.983 14.393 515 HA GLU 70 HA GLU 70 0.500 -20.311 12.594 516 1HB GLU 70 1HB GLU 70 0.824 -18.073 11.573 517 2HB GLU 70 2HB GLU 70 2.490 -18.503 11.183 518 1HG GLU 70 1HG GLU 70 1.782 -20.233 9.678 519 2HG GLU 70 2HG GLU 70 0.110 -20.108 10.224 520 H SER 71 H SER 71 2.164 -21.886 13.930 521 HA SER 71 HA SER 71 3.780 -23.214 11.808 522 1HB SER 71 1HB SER 71 5.112 -21.575 13.284 523 2HB SER 71 2HB SER 71 4.836 -22.715 14.598 524 HG SER 71 HG SER 71 6.491 -23.727 13.799 525 H ASP 72 H ASP 72 2.877 -25.241 11.764 526 HA ASP 72 HA ASP 72 1.623 -26.408 14.155 527 1HB ASP 72 1HB ASP 72 2.047 -27.224 11.272 528 2HB ASP 72 2HB ASP 72 1.276 -28.297 12.440 529 H LEU 73 H LEU 73 2.701 -27.719 15.573 530 HA LEU 73 HA LEU 73 4.407 -29.080 16.482 531 1HB LEU 73 1HB LEU 73 3.750 -29.926 13.775 532 2HB LEU 73 2HB LEU 73 5.419 -30.328 14.180 533 HG LEU 73 HG LEU 73 4.474 -31.242 16.396 534 1HD1 LEU 73 1HD1 LEU 73 2.155 -30.098 15.534 535 2HD1 LEU 73 2HD1 LEU 73 1.924 -31.756 14.981 536 3HD1 LEU 73 3HD1 LEU 73 2.219 -31.430 16.688 537 1HD2 LEU 73 1HD2 LEU 73 4.997 -32.416 13.965 538 2HD2 LEU 73 2HD2 LEU 73 4.613 -33.303 15.440 539 3HD2 LEU 73 3HD2 LEU 73 3.342 -32.945 14.269 540 H GLY 7 H GLY 7 11.662 7.401 0.318 541 1HA GLY 7 1HA GLY 7 12.596 6.007 1.983 542 2HA GLY 7 2HA GLY 7 13.640 5.513 0.650 543 H LYS 8 H LYS 8 12.096 4.030 -0.965 544 HA LYS 8 HA LYS 8 10.208 2.260 0.256 545 1HB LYS 8 1HB LYS 8 11.829 2.475 -2.212 546 2HB LYS 8 2HB LYS 8 11.321 0.837 -1.796 547 1HG LYS 8 1HG LYS 8 9.149 2.725 -1.416 548 2HG LYS 8 2HG LYS 8 9.765 2.791 -3.068 549 1HD LYS 8 1HD LYS 8 9.710 0.103 -2.687 550 2HD LYS 8 2HD LYS 8 8.361 0.591 -1.661 551 1HE LYS 8 1HE LYS 8 8.462 1.904 -4.323 552 2HE LYS 8 2HE LYS 8 8.090 0.169 -4.331 553 1HZ LYS 8 1HZ LYS 8 6.804 2.077 -2.461 554 2HZ LYS 8 2HZ LYS 8 6.132 1.692 -3.973 555 3HZ LYS 8 3HZ LYS 8 6.338 0.480 -2.805 556 H LYS 9 H LYS 9 13.682 1.751 -0.492 557 HA LYS 9 HA LYS 9 13.872 -0.796 0.824 558 1HB LYS 9 1HB LYS 9 15.394 0.454 -0.896 559 2HB LYS 9 2HB LYS 9 16.127 1.184 0.533 560 1HG LYS 9 1HG LYS 9 16.043 -1.453 1.266 561 2HG LYS 9 2HG LYS 9 16.320 -1.585 -0.472 562 1HD LYS 9 1HD LYS 9 18.465 -1.458 0.720 563 2HD LYS 9 2HD LYS 9 18.231 -0.018 -0.274 564 1HE LYS 9 1HE LYS 9 17.035 0.638 2.175 565 2HE LYS 9 2HE LYS 9 18.533 -0.204 2.616 566 1HZ LYS 9 1HZ LYS 9 18.603 1.698 0.387 567 2HZ LYS 9 2HZ LYS 9 18.566 2.324 1.966 568 3HZ LYS 9 3HZ LYS 9 19.824 1.286 1.490 569 H ALA 10 H ALA 10 14.788 2.501 1.898 570 HA ALA 10 HA ALA 10 15.750 1.858 4.475 571 1HB ALA 10 1HB ALA 10 15.731 4.147 4.719 572 2HB ALA 10 2HB ALA 10 14.074 4.295 4.134 573 3HB ALA 10 3HB ALA 10 15.398 4.094 2.987 574 H GLU 11 H GLU 11 12.412 2.339 3.340 575 HA GLU 11 HA GLU 11 11.152 2.257 5.923 576 1HB GLU 11 1HB GLU 11 10.142 3.098 3.815 577 2HB GLU 11 2HB GLU 11 10.141 1.455 3.174 578 1HG GLU 11 1HG GLU 11 7.949 1.759 4.033 579 2HG GLU 11 2HG GLU 11 8.786 0.822 5.270 580 H ALA 12 H ALA 12 11.949 -0.263 3.530 581 HA ALA 12 HA ALA 12 10.660 -2.458 4.834 582 1HB ALA 12 1HB ALA 12 12.120 -3.780 3.384 583 2HB ALA 12 2HB ALA 12 13.202 -2.403 3.174 584 3HB ALA 12 3HB ALA 12 11.575 -2.357 2.498 585 H VAL 13 H VAL 13 13.985 -1.168 5.100 586 HA VAL 13 HA VAL 13 15.024 -3.094 6.919 587 HB VAL 13 HB VAL 13 15.564 -0.118 6.626 588 1HG1 VAL 13 1HG1 VAL 13 16.447 -1.462 8.697 589 2HG1 VAL 13 2HG1 VAL 13 17.558 -2.181 7.532 590 3HG1 VAL 13 3HG1 VAL 13 17.566 -0.437 7.799 591 1HG2 VAL 13 1HG2 VAL 13 15.754 -1.903 4.642 592 2HG2 VAL 13 2HG2 VAL 13 16.954 -0.627 4.848 593 3HG2 VAL 13 3HG2 VAL 13 17.287 -2.254 5.440 594 H ALA 14 H ALA 14 13.203 -0.087 7.474 595 HA ALA 14 HA ALA 14 13.353 -0.057 10.331 596 1HB ALA 14 1HB ALA 14 12.583 1.721 8.629 597 2HB ALA 14 2HB ALA 14 11.033 0.880 8.630 598 3HB ALA 14 3HB ALA 14 11.647 1.599 10.119 599 H THR 15 H THR 15 11.069 -1.596 8.075 600 HA THR 15 HA THR 15 9.226 -2.543 10.085 601 HB THR 15 HB THR 15 9.871 -3.594 7.309 602 HG1 THR 15 HG1 THR 15 8.486 -2.074 6.587 603 1HG2 THR 15 1HG2 THR 15 8.436 -5.052 8.765 604 2HG2 THR 15 2HG2 THR 15 7.293 -3.715 8.895 605 3HG2 THR 15 3HG2 THR 15 7.608 -4.457 7.326 606 H VAL 16 H VAL 16 11.955 -4.101 8.366 607 HA VAL 16 HA VAL 16 11.722 -6.672 9.596 608 HB VAL 16 HB VAL 16 14.067 -5.108 8.471 609 1HG1 VAL 16 1HG1 VAL 16 13.799 -7.986 9.353 610 2HG1 VAL 16 2HG1 VAL 16 14.994 -7.492 8.152 611 3HG1 VAL 16 3HG1 VAL 16 15.054 -6.824 9.784 612 1HG2 VAL 16 1HG2 VAL 16 11.931 -5.812 7.092 613 2HG2 VAL 16 2HG2 VAL 16 13.537 -6.072 6.411 614 3HG2 VAL 16 3HG2 VAL 16 12.664 -7.415 7.151 615 H VAL 17 H VAL 17 13.721 -3.832 10.477 616 HA VAL 17 HA VAL 17 14.987 -4.966 12.765 617 HB VAL 17 HB VAL 17 14.158 -2.133 12.059 618 1HG1 VAL 17 1HG1 VAL 17 15.860 -3.256 14.277 619 2HG1 VAL 17 2HG1 VAL 17 16.183 -1.647 13.630 620 3HG1 VAL 17 3HG1 VAL 17 14.618 -2.005 14.360 621 1HG2 VAL 17 1HG2 VAL 17 15.728 -3.469 10.528 622 2HG2 VAL 17 2HG2 VAL 17 16.339 -1.922 11.116 623 3HG2 VAL 17 3HG2 VAL 17 16.885 -3.426 11.858 624 H ALA 18 H ALA 18 12.018 -2.970 12.542 625 HA ALA 18 HA ALA 18 11.344 -2.948 15.294 626 1HB ALA 18 1HB ALA 18 10.358 -1.903 13.004 627 2HB ALA 18 2HB ALA 18 9.184 -3.194 13.260 628 3HB ALA 18 3HB ALA 18 9.422 -1.960 14.498 629 H ALA 19 H ALA 19 10.603 -5.348 12.765 630 HA ALA 19 HA ALA 19 8.883 -7.003 14.372 631 1HB ALA 19 1HB ALA 19 8.775 -8.164 12.413 632 2HB ALA 19 2HB ALA 19 10.530 -8.299 12.298 633 3HB ALA 19 3HB ALA 19 9.718 -6.831 11.751 634 H VAL 20 H VAL 20 12.379 -7.181 13.631 635 HA VAL 20 HA VAL 20 12.945 -9.560 15.104 636 HB VAL 20 HB VAL 20 14.557 -7.101 14.368 637 1HG1 VAL 20 1HG1 VAL 20 15.418 -9.722 15.614 638 2HG1 VAL 20 2HG1 VAL 20 16.534 -8.663 14.753 639 3HG1 VAL 20 3HG1 VAL 20 15.723 -8.091 16.212 640 1HG2 VAL 20 1HG2 VAL 20 13.684 -9.529 13.006 641 2HG2 VAL 20 2HG2 VAL 20 14.418 -8.075 12.332 642 3HG2 VAL 20 3HG2 VAL 20 15.438 -9.360 12.977 643 H ASP 21 H ASP 21 12.970 -6.127 16.087 644 HA ASP 21 HA ASP 21 13.970 -6.510 18.740 645 1HB ASP 21 1HB ASP 21 13.242 -4.428 17.094 646 2HB ASP 21 2HB ASP 21 11.970 -4.383 18.315 647 H GLN 22 H GLN 22 10.665 -6.579 17.416 648 HA GLN 22 HA GLN 22 9.180 -6.675 19.816 649 1HB GLN 22 1HB GLN 22 8.754 -6.876 17.089 650 2HB GLN 22 2HB GLN 22 8.267 -8.467 17.673 651 1HG GLN 22 1HG GLN 22 6.704 -7.494 19.237 652 2HG GLN 22 2HG GLN 22 7.300 -5.869 18.895 653 2HE2 GLN 22 2HE2 GLN 22 5.944 -4.750 17.499 654 1HE2 GLN 22 1HE2 GLN 22 5.012 -5.451 16.266 655 H ALA 23 H ALA 23 10.765 -9.332 18.031 656 HA ALA 23 HA ALA 23 9.808 -11.475 19.676 657 1HB ALA 23 1HB ALA 23 10.809 -12.442 17.891 658 2HB ALA 23 2HB ALA 23 12.354 -12.137 18.687 659 3HB ALA 23 3HB ALA 23 11.709 -10.969 17.535 660 H ARG 24 H ARG 24 12.767 -9.486 19.846 661 HA ARG 24 HA ARG 24 13.902 -10.871 22.115 662 1HB ARG 24 1HB ARG 24 14.420 -8.589 20.375 663 2HB ARG 24 2HB ARG 24 14.871 -8.244 22.044 664 1HG ARG 24 1HG ARG 24 15.747 -10.681 20.467 665 2HG ARG 24 2HG ARG 24 16.748 -9.266 20.794 666 1HD ARG 24 1HD ARG 24 15.460 -10.609 23.140 667 2HD ARG 24 2HD ARG 24 16.855 -11.408 22.388 668 HE ARG 24 HE ARG 24 16.962 -8.953 23.913 669 1HH1 ARG 24 1HH1 ARG 24 18.211 -10.606 21.149 670 2HH1 ARG 24 2HH1 ARG 24 19.732 -9.778 21.183 671 1HH2 ARG 24 1HH2 ARG 24 18.942 -7.870 23.965 672 2HH2 ARG 24 2HH2 ARG 24 20.146 -8.232 22.775 673 H VAL 25 H VAL 25 12.144 -7.764 21.819 674 HA VAL 25 HA VAL 25 12.102 -7.198 24.632 675 HB VAL 25 HB VAL 25 11.723 -5.718 22.542 676 1HG1 VAL 25 1HG1 VAL 25 8.913 -6.773 22.989 677 2HG1 VAL 25 2HG1 VAL 25 9.349 -5.445 21.913 678 3HG1 VAL 25 3HG1 VAL 25 9.915 -7.080 21.569 679 1HG2 VAL 25 1HG2 VAL 25 11.517 -4.910 24.871 680 2HG2 VAL 25 2HG2 VAL 25 10.303 -4.167 23.830 681 3HG2 VAL 25 3HG2 VAL 25 9.848 -5.479 24.918 682 H ARG 26 H ARG 26 10.118 -9.207 22.598 683 HA ARG 26 HA ARG 26 8.332 -10.662 23.136 684 1HB ARG 26 1HB ARG 26 10.112 -11.062 24.968 685 2HB ARG 26 2HB ARG 26 9.079 -10.078 26.006 686 1HG ARG 26 1HG ARG 26 7.404 -11.661 26.075 687 2HG ARG 26 2HG ARG 26 7.783 -12.285 24.470 688 1HD ARG 26 1HD ARG 26 9.784 -13.407 25.337 689 2HD ARG 26 2HD ARG 26 9.489 -12.727 26.948 690 HE ARG 26 HE ARG 26 8.047 -14.962 25.772 691 1HH1 ARG 26 1HH1 ARG 26 7.853 -12.206 27.846 692 2HH1 ARG 26 2HH1 ARG 26 6.553 -12.849 28.792 693 1HH2 ARG 26 1HH2 ARG 26 6.355 -15.811 27.001 694 2HH2 ARG 26 2HH2 ARG 26 5.708 -14.888 28.316 695 H GLU 27 H GLU 27 7.180 -8.474 22.407 696 HA GLU 27 HA GLU 27 5.571 -7.360 24.671 697 1HB GLU 27 1HB GLU 27 6.797 -5.739 23.345 698 2HB GLU 27 2HB GLU 27 6.167 -6.426 21.847 699 1HG GLU 27 1HG GLU 27 4.121 -5.426 22.089 700 2HG GLU 27 2HG GLU 27 4.144 -5.568 23.847 701 HA PRO 28 HA PRO 28 2.257 -9.730 22.929 702 1HB PRO 28 1HB PRO 28 0.311 -8.947 24.703 703 2HB PRO 28 2HB PRO 28 1.541 -10.170 25.080 704 1HG PRO 28 1HG PRO 28 1.428 -7.302 25.848 705 2HG PRO 28 2HG PRO 28 1.987 -8.700 26.778 706 1HD PRO 28 1HD PRO 28 3.671 -6.942 25.568 707 2HD PRO 28 2HD PRO 28 4.077 -8.647 25.851 708 H ARG 29 H ARG 29 0.094 -9.243 21.945 709 HA ARG 29 HA ARG 29 -0.726 -6.441 21.655 710 1HB ARG 29 1HB ARG 29 1.327 -6.808 20.189 711 2HB ARG 29 2HB ARG 29 0.346 -7.928 19.243 712 1HG ARG 29 1HG ARG 29 -0.976 -6.256 18.371 713 2HG ARG 29 2HG ARG 29 -0.808 -5.234 19.798 714 1HD ARG 29 1HD ARG 29 0.854 -4.078 18.786 715 2HD ARG 29 2HD ARG 29 1.783 -5.576 18.574 716 HE ARG 29 HE ARG 29 -0.402 -5.458 16.691 717 1HH1 ARG 29 1HH1 ARG 29 2.742 -4.225 17.416 718 2HH1 ARG 29 2HH1 ARG 29 3.148 -3.925 15.759 719 1HH2 ARG 29 1HH2 ARG 29 0.115 -5.071 14.527 720 2HH2 ARG 29 2HH2 ARG 29 1.662 -4.405 14.125 No H/Q in entry = 720 Start of MODEL 3 1 H MET 1 H MET 1 -8.941 -10.262 -3.983 2 HA MET 1 HA MET 1 -6.733 -10.913 -4.761 3 1HB MET 1 1HB MET 1 -7.690 -9.266 -6.781 4 2HB MET 1 2HB MET 1 -6.245 -8.420 -6.226 5 1HG MET 1 1HG MET 1 -4.857 -10.004 -7.063 6 2HG MET 1 2HG MET 1 -5.873 -11.321 -6.478 7 1HE MET 1 1HE MET 1 -5.729 -8.364 -8.790 8 2HE MET 1 2HE MET 1 -6.657 -8.799 -10.223 9 3HE MET 1 3HE MET 1 -7.488 -8.437 -8.704 10 H ALA 2 H ALA 2 -4.704 -8.787 -5.094 11 HA ALA 2 HA ALA 2 -3.297 -7.482 -3.715 12 1HB ALA 2 1HB ALA 2 -4.454 -5.643 -3.039 13 2HB ALA 2 2HB ALA 2 -5.508 -6.594 -1.992 14 3HB ALA 2 3HB ALA 2 -5.867 -6.455 -3.713 15 H ASP 3 H ASP 3 -2.815 -7.108 -1.233 16 HA ASP 3 HA ASP 3 -3.847 -8.945 0.723 17 1HB ASP 3 1HB ASP 3 -2.091 -10.006 -1.266 18 2HB ASP 3 2HB ASP 3 -1.224 -10.005 0.269 19 H THR 4 H THR 4 -2.796 -8.635 2.766 20 HA THR 4 HA THR 4 -0.277 -7.203 3.019 21 HB THR 4 HB THR 4 -1.704 -5.386 2.223 22 HG1 THR 4 HG1 THR 4 -0.770 -4.206 3.659 23 1HG2 THR 4 1HG2 THR 4 -3.821 -6.608 3.052 24 2HG2 THR 4 2HG2 THR 4 -3.502 -5.832 4.603 25 3HG2 THR 4 3HG2 THR 4 -3.801 -4.849 3.169 26 H ASP 5 H ASP 5 0.393 -7.120 5.239 27 HA ASP 5 HA ASP 5 -1.255 -7.510 7.518 28 1HB ASP 5 1HB ASP 5 -0.990 -9.782 5.808 29 2HB ASP 5 2HB ASP 5 -0.114 -10.133 7.299 30 H THR 6 H THR 6 0.177 -8.672 9.356 31 HA THR 6 HA THR 6 2.630 -7.174 9.578 32 HB THR 6 HB THR 6 2.870 -8.785 11.589 33 HG1 THR 6 HG1 THR 6 0.555 -9.671 11.857 34 1HG2 THR 6 1HG2 THR 6 0.613 -6.892 11.047 35 2HG2 THR 6 2HG2 THR 6 0.621 -7.795 12.563 36 3HG2 THR 6 3HG2 THR 6 1.967 -6.727 12.165 37 H ALA 7 H ALA 7 2.177 -10.734 9.477 38 HA ALA 7 HA ALA 7 4.896 -11.411 9.039 39 1HB ALA 7 1HB ALA 7 2.264 -12.705 8.265 40 2HB ALA 7 2HB ALA 7 3.817 -13.517 8.072 41 3HB ALA 7 3HB ALA 7 3.256 -13.057 9.680 42 H GLU 8 H GLU 8 2.270 -10.808 6.700 43 HA GLU 8 HA GLU 8 3.749 -11.288 4.311 44 1HB GLU 8 1HB GLU 8 1.205 -10.829 4.861 45 2HB GLU 8 2HB GLU 8 1.648 -9.149 4.549 46 1HG GLU 8 1HG GLU 8 2.663 -9.945 2.357 47 2HG GLU 8 2HG GLU 8 1.886 -11.501 2.658 48 H GLN 9 H GLN 9 3.429 -8.410 6.365 49 HA GLN 9 HA GLN 9 4.689 -6.516 4.637 50 1HB GLN 9 1HB GLN 9 3.889 -6.819 7.436 51 2HB GLN 9 2HB GLN 9 5.327 -5.813 7.254 52 1HG GLN 9 1HG GLN 9 2.717 -5.435 5.754 53 2HG GLN 9 2HG GLN 9 3.269 -4.452 7.112 54 2HE2 GLN 9 2HE2 GLN 9 2.787 -3.317 4.506 55 1HE2 GLN 9 1HE2 GLN 9 4.275 -2.793 3.879 56 H VAL 10 H VAL 10 6.101 -8.552 7.242 57 HA VAL 10 HA VAL 10 8.796 -7.691 6.957 58 HB VAL 10 HB VAL 10 7.693 -10.429 7.674 59 1HG1 VAL 10 1HG1 VAL 10 10.369 -9.285 7.610 60 2HG1 VAL 10 2HG1 VAL 10 9.929 -9.799 9.239 61 3HG1 VAL 10 3HG1 VAL 10 9.876 -10.953 7.906 62 1HG2 VAL 10 1HG2 VAL 10 7.916 -7.827 9.162 63 2HG2 VAL 10 2HG2 VAL 10 6.593 -8.992 9.153 64 3HG2 VAL 10 3HG2 VAL 10 8.073 -9.345 10.046 65 H ILE 11 H ILE 11 6.991 -10.270 5.287 66 HA ILE 11 HA ILE 11 9.154 -11.352 3.769 67 HB ILE 11 HB ILE 11 6.188 -11.080 3.163 68 1HG1 ILE 11 1HG1 ILE 11 7.622 -13.482 4.301 69 2HG1 ILE 11 2HG1 ILE 11 6.995 -12.212 5.350 70 1HG2 ILE 11 1HG2 ILE 11 8.407 -12.258 1.686 71 2HG2 ILE 11 2HG2 ILE 11 7.183 -13.463 2.089 72 3HG2 ILE 11 3HG2 ILE 11 6.733 -12.018 1.182 73 1HD1 ILE 11 1HD1 ILE 11 4.991 -12.927 3.408 74 2HD1 ILE 11 2HD1 ILE 11 5.556 -14.379 4.233 75 3HD1 ILE 11 3HD1 ILE 11 4.909 -13.031 5.167 76 H ALA 12 H ALA 12 6.800 -8.767 3.004 77 HA ALA 12 HA ALA 12 7.807 -8.154 0.391 78 1HB ALA 12 1HB ALA 12 6.223 -6.742 2.532 79 2HB ALA 12 2HB ALA 12 6.694 -5.871 1.074 80 3HB ALA 12 3HB ALA 12 5.679 -7.308 0.954 81 H SER 13 H SER 13 8.496 -6.725 3.599 82 HA SER 13 HA SER 13 10.446 -4.828 2.699 83 1HB SER 13 1HB SER 13 10.304 -6.293 5.352 84 2HB SER 13 2HB SER 13 10.983 -4.695 5.061 85 HG SER 13 HG SER 13 9.046 -3.993 5.440 86 H PHE 14 H PHE 14 10.675 -8.219 3.755 87 HA PHE 14 HA PHE 14 13.552 -8.398 3.678 88 1HB PHE 14 1HB PHE 14 11.176 -10.163 3.854 89 2HB PHE 14 2HB PHE 14 12.627 -10.927 3.207 90 HD1 PHE 14 HD1 PHE 14 10.946 -10.760 6.103 91 HD2 PHE 14 HD2 PHE 14 14.822 -9.685 4.596 92 HE1 PHE 14 HE1 PHE 14 11.882 -10.922 8.395 93 HE2 PHE 14 HE2 PHE 14 15.759 -9.848 6.887 94 HZ PHE 14 HZ PHE 14 14.288 -10.466 8.786 95 H ARG 15 H ARG 15 10.992 -9.134 1.295 96 HA ARG 15 HA ARG 15 12.566 -10.199 -0.788 97 1HB ARG 15 1HB ARG 15 9.948 -9.205 -0.344 98 2HB ARG 15 2HB ARG 15 10.557 -8.359 -1.767 99 1HG ARG 15 1HG ARG 15 10.947 -11.329 -1.533 100 2HG ARG 15 2HG ARG 15 9.387 -10.694 -2.056 101 1HD ARG 15 1HD ARG 15 11.394 -9.262 -3.493 102 2HD ARG 15 2HD ARG 15 11.766 -10.993 -3.621 103 HE ARG 15 HE ARG 15 9.477 -9.696 -4.809 104 1HH1 ARG 15 1HH1 ARG 15 10.543 -12.532 -3.151 105 2HH1 ARG 15 2HH1 ARG 15 9.348 -13.557 -3.871 106 1HH2 ARG 15 1HH2 ARG 15 7.914 -11.025 -5.754 107 2HH2 ARG 15 2HH2 ARG 15 7.865 -12.708 -5.345 108 H ILE 16 H ILE 16 11.871 -6.799 0.034 109 HA ILE 16 HA ILE 16 13.259 -5.551 -2.116 110 HB ILE 16 HB ILE 16 12.735 -4.785 0.773 111 1HG1 ILE 16 1HG1 ILE 16 11.413 -4.042 -1.858 112 2HG1 ILE 16 2HG1 ILE 16 10.739 -5.101 -0.619 113 1HG2 ILE 16 1HG2 ILE 16 13.909 -3.189 -1.512 114 2HG2 ILE 16 2HG2 ILE 16 13.115 -2.419 -0.138 115 3HG2 ILE 16 3HG2 ILE 16 14.560 -3.398 0.114 116 1HD1 ILE 16 1HD1 ILE 16 11.496 -2.700 0.687 117 2HD1 ILE 16 2HD1 ILE 16 10.626 -2.231 -0.774 118 3HD1 ILE 16 3HD1 ILE 16 9.862 -3.300 0.403 119 H LEU 17 H LEU 17 14.410 -6.563 1.121 120 HA LEU 17 HA LEU 17 17.117 -5.657 0.800 121 1HB LEU 17 1HB LEU 17 15.981 -7.959 2.427 122 2HB LEU 17 2HB LEU 17 17.498 -7.115 2.742 123 HG LEU 17 HG LEU 17 14.700 -5.973 2.903 124 1HD1 LEU 17 1HD1 LEU 17 16.756 -6.897 4.826 125 2HD1 LEU 17 2HD1 LEU 17 15.978 -5.366 5.228 126 3HD1 LEU 17 3HD1 LEU 17 15.003 -6.819 5.004 127 1HD2 LEU 17 1HD2 LEU 17 17.411 -4.637 2.927 128 2HD2 LEU 17 2HD2 LEU 17 16.014 -4.241 1.926 129 3HD2 LEU 17 3HD2 LEU 17 15.992 -3.884 3.654 130 H ALA 18 H ALA 18 15.531 -8.787 0.163 131 HA ALA 18 HA ALA 18 17.977 -10.094 -0.736 132 1HB ALA 18 1HB ALA 18 15.791 -11.506 -1.709 133 2HB ALA 18 2HB ALA 18 15.130 -10.661 -0.309 134 3HB ALA 18 3HB ALA 18 16.521 -11.728 -0.120 135 H SER 19 H SER 19 16.106 -7.700 -2.121 136 HA SER 19 HA SER 19 16.072 -6.816 -4.313 137 1HB SER 19 1HB SER 19 18.440 -8.428 -3.994 138 2HB SER 19 2HB SER 19 17.840 -8.595 -5.640 139 HG SER 19 HG SER 19 19.296 -6.747 -5.105 140 H ASP 20 H ASP 20 13.842 -7.851 -4.313 141 HA ASP 20 HA ASP 20 12.217 -9.358 -5.189 142 1HB ASP 20 1HB ASP 20 12.304 -9.236 -7.619 143 2HB ASP 20 2HB ASP 20 12.893 -7.708 -6.965 144 H LYS 21 H LYS 21 14.177 -10.873 -3.838 145 HA LYS 21 HA LYS 21 14.543 -13.215 -5.680 146 1HB LYS 21 1HB LYS 21 16.243 -11.958 -3.538 147 2HB LYS 21 2HB LYS 21 16.461 -13.658 -3.955 148 1HG LYS 21 1HG LYS 21 16.275 -11.958 -6.325 149 2HG LYS 21 2HG LYS 21 17.617 -11.499 -5.277 150 1HD LYS 21 1HD LYS 21 18.213 -13.990 -5.199 151 2HD LYS 21 2HD LYS 21 17.082 -14.194 -6.537 152 1HE LYS 21 1HE LYS 21 18.444 -12.208 -7.620 153 2HE LYS 21 2HE LYS 21 19.711 -12.739 -6.494 154 1HZ LYS 21 1HZ LYS 21 18.199 -14.675 -8.140 155 2HZ LYS 21 2HZ LYS 21 19.591 -13.910 -8.744 156 3HZ LYS 21 3HZ LYS 21 19.695 -14.887 -7.362 157 HA PRO 22 HA PRO 22 11.957 -15.375 -2.882 158 1HB PRO 22 1HB PRO 22 13.076 -17.923 -3.306 159 2HB PRO 22 2HB PRO 22 11.740 -17.207 -4.226 160 1HG PRO 22 1HG PRO 22 14.602 -17.432 -4.917 161 2HG PRO 22 2HG PRO 22 13.180 -17.401 -5.968 162 1HD PRO 22 1HD PRO 22 14.861 -15.300 -5.715 163 2HD PRO 22 2HD PRO 22 13.127 -15.111 -6.054 164 H TYR 23 H TYR 23 15.330 -15.088 -2.606 165 HA TYR 23 HA TYR 23 15.190 -15.964 0.248 166 1HB TYR 23 1HB TYR 23 17.334 -17.198 -0.110 167 2HB TYR 23 2HB TYR 23 16.013 -17.862 -1.074 168 HD1 TYR 23 HD1 TYR 23 19.309 -16.438 -1.155 169 HD2 TYR 23 HD2 TYR 23 15.753 -17.020 -3.494 170 HE1 TYR 23 HE1 TYR 23 20.603 -16.017 -3.227 171 HE2 TYR 23 HE2 TYR 23 17.048 -16.601 -5.567 172 HH TYR 23 HH TYR 23 19.198 -16.511 -6.403 173 H ILE 24 H ILE 24 17.193 -15.181 1.446 174 HA ILE 24 HA ILE 24 18.252 -12.658 0.215 175 HB ILE 24 HB ILE 24 16.469 -12.704 2.169 176 1HG1 ILE 24 1HG1 ILE 24 17.669 -10.705 1.247 177 2HG1 ILE 24 2HG1 ILE 24 17.342 -10.587 2.976 178 1HG2 ILE 24 1HG2 ILE 24 17.973 -14.289 3.505 179 2HG2 ILE 24 2HG2 ILE 24 19.013 -12.893 3.788 180 3HG2 ILE 24 3HG2 ILE 24 17.349 -12.886 4.373 181 1HD1 ILE 24 1HD1 ILE 24 19.789 -11.839 2.956 182 2HD1 ILE 24 2HD1 ILE 24 19.918 -10.765 1.562 183 3HD1 ILE 24 3HD1 ILE 24 19.553 -10.102 3.155 184 H LEU 25 H LEU 25 20.490 -12.349 0.425 185 HA LEU 25 HA LEU 25 22.087 -14.671 1.230 186 1HB LEU 25 1HB LEU 25 22.367 -12.157 -0.259 187 2HB LEU 25 2HB LEU 25 23.793 -12.551 0.699 188 HG LEU 25 HG LEU 25 23.676 -14.888 -0.291 189 1HD1 LEU 25 1HD1 LEU 25 21.285 -13.714 -1.434 190 2HD1 LEU 25 2HD1 LEU 25 22.367 -14.280 -2.707 191 3HD1 LEU 25 3HD1 LEU 25 21.817 -15.396 -1.457 192 1HD2 LEU 25 1HD2 LEU 25 24.344 -12.364 -1.728 193 2HD2 LEU 25 2HD2 LEU 25 25.386 -13.719 -1.291 194 3HD2 LEU 25 3HD2 LEU 25 24.322 -13.842 -2.692 195 H ALA 26 H ALA 26 23.604 -14.685 2.956 196 HA ALA 26 HA ALA 26 22.845 -13.402 5.385 197 1HB ALA 26 1HB ALA 26 24.808 -15.252 4.370 198 2HB ALA 26 2HB ALA 26 24.222 -15.074 6.024 199 3HB ALA 26 3HB ALA 26 25.592 -14.115 5.466 200 H GLU 27 H GLU 27 25.355 -12.589 2.991 201 HA GLU 27 HA GLU 27 26.561 -10.437 4.444 202 1HB GLU 27 1HB GLU 27 27.480 -11.611 2.457 203 2HB GLU 27 2HB GLU 27 26.228 -10.875 1.458 204 1HG GLU 27 1HG GLU 27 27.070 -8.634 2.039 205 2HG GLU 27 2HG GLU 27 28.317 -9.361 3.053 206 H GLU 28 H GLU 28 23.763 -10.577 2.257 207 HA GLU 28 HA GLU 28 23.331 -7.773 1.950 208 1HB GLU 28 1HB GLU 28 21.701 -10.291 1.835 209 2HB GLU 28 2HB GLU 28 20.867 -8.739 1.750 210 1HG GLU 28 1HG GLU 28 23.251 -8.886 0.037 211 2HG GLU 28 2HG GLU 28 21.994 -10.042 -0.404 212 H LEU 29 H LEU 29 22.351 -10.066 4.476 213 HA LEU 29 HA LEU 29 20.651 -8.275 5.953 214 1HB LEU 29 1HB LEU 29 22.300 -10.715 6.691 215 2HB LEU 29 2HB LEU 29 21.114 -9.975 7.769 216 HG LEU 29 HG LEU 29 20.610 -11.258 5.076 217 1HD1 LEU 29 1HD1 LEU 29 20.140 -11.933 7.922 218 2HD1 LEU 29 2HD1 LEU 29 18.793 -12.260 6.832 219 3HD1 LEU 29 3HD1 LEU 29 20.367 -12.998 6.536 220 1HD2 LEU 29 1HD2 LEU 29 18.972 -9.329 6.696 221 2HD2 LEU 29 2HD2 LEU 29 19.178 -9.416 4.947 222 3HD2 LEU 29 3HD2 LEU 29 18.157 -10.592 5.775 223 H ARG 30 H ARG 30 24.135 -8.963 6.027 224 HA ARG 30 HA ARG 30 24.724 -7.425 8.399 225 1HB ARG 30 1HB ARG 30 26.201 -8.589 6.059 226 2HB ARG 30 2HB ARG 30 27.054 -7.484 7.137 227 1HG ARG 30 1HG ARG 30 25.689 -9.191 8.869 228 2HG ARG 30 2HG ARG 30 26.263 -10.256 7.585 229 1HD ARG 30 1HD ARG 30 28.555 -9.473 7.885 230 2HD ARG 30 2HD ARG 30 28.018 -8.276 9.081 231 HE ARG 30 HE ARG 30 27.827 -10.023 10.660 232 1HH1 ARG 30 1HH1 ARG 30 27.913 -11.222 7.421 233 2HH1 ARG 30 2HH1 ARG 30 27.970 -12.884 7.901 234 1HH2 ARG 30 1HH2 ARG 30 27.901 -12.187 11.296 235 2HH2 ARG 30 2HH2 ARG 30 27.961 -13.431 10.090 236 H ARG 31 H ARG 31 24.529 -6.640 4.949 237 HA ARG 31 HA ARG 31 25.462 -3.869 5.433 238 1HB ARG 31 1HB ARG 31 25.407 -5.797 3.308 239 2HB ARG 31 2HB ARG 31 24.568 -4.345 2.768 240 1HG ARG 31 1HG ARG 31 26.453 -3.009 2.970 241 2HG ARG 31 2HG ARG 31 27.169 -4.032 4.217 242 1HD ARG 31 1HD ARG 31 28.498 -4.696 2.444 243 2HD ARG 31 2HD ARG 31 27.135 -5.795 2.154 244 HE ARG 31 HE ARG 31 26.628 -4.517 0.241 245 1HH1 ARG 31 1HH1 ARG 31 28.411 -2.676 2.556 246 2HH1 ARG 31 2HH1 ARG 31 28.511 -1.269 1.551 247 1HH2 ARG 31 1HH2 ARG 31 26.754 -2.687 -1.077 248 2HH2 ARG 31 2HH2 ARG 31 27.575 -1.275 -0.502 249 H GLU 32 H GLU 32 22.478 -5.633 5.105 250 HA GLU 32 HA GLU 32 20.960 -3.153 4.449 251 1HB GLU 32 1HB GLU 32 20.200 -6.085 4.660 252 2HB GLU 32 2HB GLU 32 19.106 -4.800 4.146 253 1HG GLU 32 1HG GLU 32 21.759 -5.209 2.775 254 2HG GLU 32 2HG GLU 32 20.343 -6.149 2.304 255 H LEU 33 H LEU 33 21.627 -5.331 7.113 256 HA LEU 33 HA LEU 33 19.711 -3.765 8.808 257 1HB LEU 33 1HB LEU 33 20.074 -6.646 8.286 258 2HB LEU 33 2HB LEU 33 19.952 -6.234 9.993 259 HG LEU 33 HG LEU 33 18.000 -5.080 8.015 260 1HD1 LEU 33 1HD1 LEU 33 18.340 -7.828 8.352 261 2HD1 LEU 33 2HD1 LEU 33 17.021 -7.426 9.450 262 3HD1 LEU 33 3HD1 LEU 33 16.893 -7.031 7.736 263 1HD2 LEU 33 1HD2 LEU 33 18.370 -5.197 10.911 264 2HD2 LEU 33 2HD2 LEU 33 17.344 -4.126 9.960 265 3HD2 LEU 33 3HD2 LEU 33 16.759 -5.722 10.427 266 HA PRO 34 HA PRO 34 23.200 -2.652 11.258 267 1HB PRO 34 1HB PRO 34 21.576 -3.474 13.612 268 2HB PRO 34 2HB PRO 34 22.375 -1.925 13.282 269 1HG PRO 34 1HG PRO 34 19.720 -2.232 13.099 270 2HG PRO 34 2HG PRO 34 20.626 -1.128 12.053 271 1HD PRO 34 1HD PRO 34 19.410 -3.750 11.418 272 2HD PRO 34 2HD PRO 34 19.688 -2.344 10.371 273 HA PRO 35 HA PRO 35 25.251 -6.574 11.407 274 1HB PRO 35 1HB PRO 35 26.571 -5.465 13.829 275 2HB PRO 35 2HB PRO 35 27.297 -6.125 12.351 276 1HG PRO 35 1HG PRO 35 27.265 -3.500 12.876 277 2HG PRO 35 2HG PRO 35 27.154 -4.143 11.230 278 1HD PRO 35 1HD PRO 35 25.045 -2.935 12.927 279 2HD PRO 35 2HD PRO 35 25.222 -2.933 11.159 280 H ASP 36 H ASP 36 24.000 -5.054 14.376 281 HA ASP 36 HA ASP 36 23.883 -7.441 15.966 282 1HB ASP 36 1HB ASP 36 22.810 -4.669 15.974 283 2HB ASP 36 2HB ASP 36 21.953 -5.834 16.984 284 H GLN 37 H GLN 37 21.420 -5.835 13.912 285 HA GLN 37 HA GLN 37 19.310 -7.706 14.527 286 1HB GLN 37 1HB GLN 37 19.866 -5.420 12.773 287 2HB GLN 37 2HB GLN 37 18.762 -6.593 12.056 288 1HG GLN 37 1HG GLN 37 17.478 -4.952 13.331 289 2HG GLN 37 2HG GLN 37 17.387 -6.520 14.134 290 2HE2 GLN 37 2HE2 GLN 37 16.964 -5.336 16.197 291 1HE2 GLN 37 1HE2 GLN 37 18.252 -4.615 17.033 292 H ALA 38 H ALA 38 21.639 -7.476 11.830 293 HA ALA 38 HA ALA 38 20.636 -9.540 10.187 294 1HB ALA 38 1HB ALA 38 23.464 -8.633 10.804 295 2HB ALA 38 2HB ALA 38 23.034 -9.652 9.431 296 3HB ALA 38 3HB ALA 38 22.409 -8.006 9.538 297 H GLN 39 H GLN 39 22.977 -9.787 12.887 298 HA GLN 39 HA GLN 39 23.565 -12.537 12.715 299 1HB GLN 39 1HB GLN 39 24.468 -10.647 14.227 300 2HB GLN 39 2HB GLN 39 23.125 -11.040 15.302 301 1HG GLN 39 1HG GLN 39 23.904 -13.407 15.360 302 2HG GLN 39 2HG GLN 39 25.290 -12.948 14.370 303 2HE2 GLN 39 2HE2 GLN 39 25.707 -14.008 16.974 304 1HE2 GLN 39 1HE2 GLN 39 26.305 -12.779 17.980 305 H TYR 40 H TYR 40 20.891 -10.973 14.520 306 HA TYR 40 HA TYR 40 19.775 -13.376 15.592 307 1HB TYR 40 1HB TYR 40 19.359 -10.660 15.750 308 2HB TYR 40 2HB TYR 40 17.917 -11.198 14.889 309 HD1 TYR 40 HD1 TYR 40 16.125 -11.424 16.361 310 HD2 TYR 40 HD2 TYR 40 20.027 -12.732 17.590 311 HE1 TYR 40 HE1 TYR 40 15.170 -12.275 18.486 312 HE2 TYR 40 HE2 TYR 40 19.072 -13.583 19.715 313 HH TYR 40 HH TYR 40 15.576 -13.515 20.316 314 H CYS 41 H CYS 41 18.927 -11.546 12.628 315 HA CYS 41 HA CYS 41 16.832 -13.307 11.776 316 1HB CYS 41 1HB CYS 41 18.695 -11.432 10.286 317 2HB CYS 41 2HB CYS 41 17.235 -12.137 9.592 318 HG CYS 41 HG CYS 41 16.721 -10.631 12.213 319 H ILE 42 H ILE 42 20.279 -13.130 10.792 320 HA ILE 42 HA ILE 42 20.394 -15.139 8.873 321 HB ILE 42 HB ILE 42 22.282 -14.428 11.133 322 1HG1 ILE 42 1HG1 ILE 42 21.569 -12.700 9.374 323 2HG1 ILE 42 2HG1 ILE 42 23.303 -12.964 9.549 324 1HG2 ILE 42 1HG2 ILE 42 22.587 -16.279 8.780 325 2HG2 ILE 42 2HG2 ILE 42 23.985 -15.402 9.404 326 3HG2 ILE 42 3HG2 ILE 42 23.103 -16.517 10.449 327 1HD1 ILE 42 1HD1 ILE 42 21.560 -14.329 7.477 328 2HD1 ILE 42 2HD1 ILE 42 22.566 -12.915 7.162 329 3HD1 ILE 42 3HD1 ILE 42 23.315 -14.447 7.614 330 H LYS 43 H LYS 43 20.064 -15.549 12.374 331 HA LYS 43 HA LYS 43 20.495 -18.458 12.240 332 1HB LYS 43 1HB LYS 43 20.928 -16.614 14.128 333 2HB LYS 43 2HB LYS 43 19.281 -17.050 14.584 334 1HG LYS 43 1HG LYS 43 20.376 -19.520 14.185 335 2HG LYS 43 2HG LYS 43 21.772 -18.628 14.790 336 1HD LYS 43 1HD LYS 43 20.573 -17.964 16.779 337 2HD LYS 43 2HD LYS 43 19.065 -18.627 16.150 338 1HE LYS 43 1HE LYS 43 20.458 -20.874 16.006 339 2HE LYS 43 2HE LYS 43 21.453 -20.081 17.244 340 1HZ LYS 43 1HZ LYS 43 19.099 -19.455 18.182 341 2HZ LYS 43 2HZ LYS 43 18.627 -20.858 17.348 342 3HZ LYS 43 3HZ LYS 43 19.816 -20.945 18.560 343 H ARG 44 H ARG 44 17.765 -16.208 12.560 344 HA ARG 44 HA ARG 44 15.715 -18.084 13.159 345 1HB ARG 44 1HB ARG 44 15.893 -15.407 11.787 346 2HB ARG 44 2HB ARG 44 14.340 -16.231 11.930 347 1HG ARG 44 1HG ARG 44 16.184 -15.597 14.254 348 2HG ARG 44 2HG ARG 44 14.747 -14.669 13.826 349 1HD ARG 44 1HD ARG 44 13.658 -16.093 15.248 350 2HD ARG 44 2HD ARG 44 13.776 -17.263 13.921 351 HE ARG 44 HE ARG 44 15.544 -18.341 15.077 352 1HH1 ARG 44 1HH1 ARG 44 14.837 -15.221 16.385 353 2HH1 ARG 44 2HH1 ARG 44 15.871 -15.423 17.758 354 1HH2 ARG 44 1HH2 ARG 44 16.898 -18.607 16.860 355 2HH2 ARG 44 2HH2 ARG 44 17.036 -17.335 18.027 356 H MET 45 H MET 45 16.018 -16.522 9.962 357 HA MET 45 HA MET 45 14.572 -18.487 8.537 358 1HB MET 45 1HB MET 45 15.764 -17.447 6.576 359 2HB MET 45 2HB MET 45 15.038 -16.276 7.671 360 1HG MET 45 1HG MET 45 17.202 -15.877 8.733 361 2HG MET 45 2HG MET 45 17.946 -17.133 7.743 362 1HE MET 45 1HE MET 45 15.339 -14.484 7.321 363 2HE MET 45 2HE MET 45 16.606 -13.346 7.763 364 3HE MET 45 3HE MET 45 15.948 -13.346 6.124 365 HA PRO 46 HA PRO 46 17.680 -21.619 8.372 366 1HB PRO 46 1HB PRO 46 16.232 -23.431 6.859 367 2HB PRO 46 2HB PRO 46 16.039 -23.209 8.608 368 1HG PRO 46 1HG PRO 46 14.380 -22.176 6.375 369 2HG PRO 46 2HG PRO 46 13.894 -22.730 7.985 370 1HD PRO 46 1HD PRO 46 14.036 -20.112 7.304 371 2HD PRO 46 2HD PRO 46 14.317 -20.700 8.958 372 H ALA 47 H ALA 47 18.288 -23.289 6.328 373 HA ALA 47 HA ALA 47 19.469 -21.520 4.332 374 1HB ALA 47 1HB ALA 47 19.302 -24.548 4.485 375 2HB ALA 47 2HB ALA 47 20.516 -23.575 5.316 376 3HB ALA 47 3HB ALA 47 20.471 -23.612 3.554 377 H TYR 48 H TYR 48 18.624 -21.040 2.335 378 HA TYR 48 HA TYR 48 15.947 -21.879 1.605 379 1HB TYR 48 1HB TYR 48 16.775 -19.701 1.002 380 2HB TYR 48 2HB TYR 48 18.199 -20.394 0.225 381 HD1 TYR 48 HD1 TYR 48 18.113 -20.165 -2.087 382 HD2 TYR 48 HD2 TYR 48 14.513 -21.112 0.057 383 HE1 TYR 48 HE1 TYR 48 16.877 -20.316 -4.232 384 HE2 TYR 48 HE2 TYR 48 13.276 -21.262 -2.087 385 HH TYR 48 HH TYR 48 13.830 -21.715 -4.499 386 H SER 49 H SER 49 16.012 -24.199 1.379 387 HA SER 49 HA SER 49 17.830 -25.278 -0.734 388 1HB SER 49 1HB SER 49 16.792 -26.152 1.816 389 2HB SER 49 2HB SER 49 16.352 -27.316 0.568 390 HG SER 49 HG SER 49 18.618 -27.188 -0.078 391 H GLY 50 H GLY 50 16.263 -24.131 -2.316 392 1HA GLY 50 1HA GLY 50 14.096 -24.106 -3.432 393 2HA GLY 50 2HA GLY 50 13.732 -25.662 -2.683 394 HA PRO 51 HA PRO 51 14.925 -27.397 -6.529 395 1HB PRO 51 1HB PRO 51 13.858 -25.927 -8.638 396 2HB PRO 51 2HB PRO 51 12.968 -27.140 -7.699 397 1HG PRO 51 1HG PRO 51 12.936 -24.182 -7.486 398 2HG PRO 51 2HG PRO 51 11.626 -25.349 -7.250 399 1HD PRO 51 1HD PRO 51 12.882 -24.130 -5.192 400 2HD PRO 51 2HD PRO 51 12.214 -25.772 -5.073 401 H GLY 52 H GLY 52 17.012 -26.022 -5.649 402 1HA GLY 52 1HA GLY 52 17.992 -24.267 -7.847 403 2HA GLY 52 2HA GLY 52 18.950 -25.674 -7.386 404 H SER 53 H SER 53 17.756 -22.536 -6.297 405 HA SER 53 HA SER 53 18.580 -21.081 -4.650 406 1HB SER 53 1HB SER 53 17.626 -22.620 -3.113 407 2HB SER 53 2HB SER 53 18.849 -23.840 -3.453 408 HG SER 53 HG SER 53 19.018 -22.454 -1.454 409 H VAL 54 H VAL 54 20.656 -20.848 -3.176 410 HA VAL 54 HA VAL 54 23.071 -21.860 -4.622 411 HB VAL 54 HB VAL 54 23.942 -19.518 -4.553 412 1HG1 VAL 54 1HG1 VAL 54 22.694 -20.441 -6.533 413 2HG1 VAL 54 2HG1 VAL 54 21.225 -19.710 -5.886 414 3HG1 VAL 54 3HG1 VAL 54 22.576 -18.688 -6.377 415 1HG2 VAL 54 1HG2 VAL 54 22.434 -18.893 -2.590 416 2HG2 VAL 54 2HG2 VAL 54 22.524 -17.700 -3.886 417 3HG2 VAL 54 3HG2 VAL 54 21.119 -18.757 -3.758 418 HA PRO 55 HA PRO 55 24.661 -22.570 -0.610 419 1HB PRO 55 1HB PRO 55 27.293 -21.739 -0.929 420 2HB PRO 55 2HB PRO 55 26.674 -23.331 -1.406 421 1HG PRO 55 1HG PRO 55 27.203 -20.931 -3.068 422 2HG PRO 55 2HG PRO 55 27.405 -22.646 -3.458 423 1HD PRO 55 1HD PRO 55 25.338 -21.171 -4.383 424 2HD PRO 55 2HD PRO 55 25.203 -22.910 -4.045 425 H GLY 56 H GLY 56 24.081 -21.199 1.033 426 1HA GLY 56 1HA GLY 56 25.305 -18.481 1.086 427 2HA GLY 56 2HA GLY 56 24.707 -19.348 2.502 428 H ALA 57 H ALA 57 22.318 -20.137 0.666 429 HA ALA 57 HA ALA 57 20.906 -17.507 0.608 430 1HB ALA 57 1HB ALA 57 20.455 -20.235 -0.623 431 2HB ALA 57 2HB ALA 57 20.831 -18.723 -1.450 432 3HB ALA 57 3HB ALA 57 19.247 -18.953 -0.710 433 H LEU 58 H LEU 58 19.490 -17.063 2.241 434 HA LEU 58 HA LEU 58 18.457 -19.349 3.889 435 1HB LEU 58 1HB LEU 58 18.865 -16.422 4.592 436 2HB LEU 58 2HB LEU 58 18.409 -17.706 5.711 437 HG LEU 58 HG LEU 58 20.735 -18.600 4.362 438 1HD1 LEU 58 1HD1 LEU 58 20.973 -16.105 3.845 439 2HD1 LEU 58 2HD1 LEU 58 21.176 -15.866 5.579 440 3HD1 LEU 58 3HD1 LEU 58 22.332 -16.853 4.683 441 1HD2 LEU 58 1HD2 LEU 58 19.976 -17.722 7.130 442 2HD2 LEU 58 2HD2 LEU 58 20.448 -19.322 6.559 443 3HD2 LEU 58 3HD2 LEU 58 21.669 -18.069 6.779 444 H ASP 59 H ASP 59 16.205 -19.064 4.679 445 HA ASP 59 HA ASP 59 14.565 -17.487 2.731 446 1HB ASP 59 1HB ASP 59 14.386 -20.105 4.103 447 2HB ASP 59 2HB ASP 59 12.864 -19.218 3.988 448 H TYR 60 H TYR 60 14.022 -15.538 3.648 449 HA TYR 60 HA TYR 60 13.802 -15.105 6.511 450 1HB TYR 60 1HB TYR 60 12.886 -12.883 5.661 451 2HB TYR 60 2HB TYR 60 14.472 -13.320 5.029 452 HD1 TYR 60 HD1 TYR 60 14.833 -13.508 2.711 453 HD2 TYR 60 HD2 TYR 60 10.820 -13.509 4.245 454 HE1 TYR 60 HE1 TYR 60 13.948 -13.406 0.396 455 HE2 TYR 60 HE2 TYR 60 9.936 -13.407 1.931 456 HH TYR 60 HH TYR 60 12.140 -13.303 -0.875 457 H ALA 61 H ALA 61 11.570 -15.988 3.948 458 HA ALA 61 HA ALA 61 9.091 -15.238 5.079 459 1HB ALA 61 1HB ALA 61 9.730 -17.801 3.588 460 2HB ALA 61 2HB ALA 61 8.202 -16.920 3.584 461 3HB ALA 61 3HB ALA 61 9.623 -16.226 2.801 462 H ALA 62 H ALA 62 11.155 -18.051 5.750 463 HA ALA 62 HA ALA 62 9.278 -19.434 7.438 464 1HB ALA 62 1HB ALA 62 12.136 -19.755 8.028 465 2HB ALA 62 2HB ALA 62 11.763 -19.877 6.309 466 3HB ALA 62 3HB ALA 62 10.973 -20.953 7.462 467 H PHE 63 H PHE 63 11.707 -16.964 8.004 468 HA PHE 63 HA PHE 63 11.608 -17.058 10.897 469 1HB PHE 63 1HB PHE 63 13.508 -16.156 9.678 470 2HB PHE 63 2HB PHE 63 12.480 -14.969 8.877 471 HD1 PHE 63 HD1 PHE 63 13.872 -13.106 9.733 472 HD2 PHE 63 HD2 PHE 63 11.866 -15.829 12.383 473 HE1 PHE 63 HE1 PHE 63 14.223 -11.531 11.616 474 HE2 PHE 63 HE2 PHE 63 12.217 -14.253 14.266 475 HZ PHE 63 HZ PHE 63 13.395 -12.105 13.882 476 H SER 64 H SER 64 9.835 -15.267 8.405 477 HA SER 64 HA SER 64 8.596 -13.288 10.015 478 1HB SER 64 1HB SER 64 7.292 -12.964 8.111 479 2HB SER 64 2HB SER 64 8.641 -13.864 7.427 480 HG SER 64 HG SER 64 6.454 -14.642 6.924 481 H SER 65 H SER 65 7.430 -16.575 9.186 482 HA SER 65 HA SER 65 5.030 -16.416 10.775 483 1HB SER 65 1HB SER 65 5.064 -18.031 9.074 484 2HB SER 65 2HB SER 65 6.699 -18.550 9.470 485 HG SER 65 HG SER 65 4.290 -19.377 10.466 486 H ALA 66 H ALA 66 8.310 -17.644 11.430 487 HA ALA 66 HA ALA 66 7.737 -18.802 13.996 488 1HB ALA 66 1HB ALA 66 10.218 -18.672 14.213 489 2HB ALA 66 2HB ALA 66 9.722 -19.297 12.640 490 3HB ALA 66 3HB ALA 66 10.264 -17.626 12.793 491 H LEU 67 H LEU 67 8.516 -15.512 12.965 492 HA LEU 67 HA LEU 67 9.129 -14.456 15.580 493 1HB LEU 67 1HB LEU 67 9.082 -13.635 12.890 494 2HB LEU 67 2HB LEU 67 7.951 -12.564 13.717 495 HG LEU 67 HG LEU 67 10.771 -13.131 14.676 496 1HD1 LEU 67 1HD1 LEU 67 9.605 -10.853 13.059 497 2HD1 LEU 67 2HD1 LEU 67 11.132 -10.722 13.933 498 3HD1 LEU 67 3HD1 LEU 67 10.960 -11.897 12.628 499 1HD2 LEU 67 1HD2 LEU 67 8.704 -12.313 16.182 500 2HD2 LEU 67 2HD2 LEU 67 10.334 -11.682 16.420 501 3HD2 LEU 67 3HD2 LEU 67 9.157 -10.754 15.492 502 H TYR 68 H TYR 68 6.130 -14.547 13.636 503 HA TYR 68 HA TYR 68 4.598 -13.327 15.860 504 1HB TYR 68 1HB TYR 68 4.154 -14.064 12.980 505 2HB TYR 68 2HB TYR 68 2.760 -13.766 14.019 506 HD1 TYR 68 HD1 TYR 68 5.708 -12.279 12.406 507 HD2 TYR 68 HD2 TYR 68 2.373 -11.555 15.016 508 HE1 TYR 68 HE1 TYR 68 6.050 -9.834 12.166 509 HE2 TYR 68 HE2 TYR 68 2.717 -9.111 14.776 510 HH TYR 68 HH TYR 68 5.105 -7.652 14.079 511 H GLY 69 H GLY 69 5.193 -16.462 14.413 512 1HA GLY 69 1HA GLY 69 4.027 -17.870 16.626 513 2HA GLY 69 2HA GLY 69 4.527 -18.606 15.102 514 H GLU 70 H GLU 70 2.907 -19.335 13.793 515 HA GLU 70 HA GLU 70 0.107 -18.823 14.587 516 1HB GLU 70 1HB GLU 70 0.914 -16.942 13.082 517 2HB GLU 70 2HB GLU 70 1.110 -18.146 11.808 518 1HG GLU 70 1HG GLU 70 -1.050 -17.392 11.378 519 2HG GLU 70 2HG GLU 70 -1.375 -18.773 12.426 520 H SER 71 H SER 71 1.454 -21.248 14.706 521 HA SER 71 HA SER 71 1.143 -23.498 14.042 522 1HB SER 71 1HB SER 71 -0.824 -22.532 11.991 523 2HB SER 71 2HB SER 71 -0.923 -23.939 13.045 524 HG SER 71 HG SER 71 -1.205 -22.481 14.797 525 H ASP 72 H ASP 72 3.052 -24.033 12.980 526 HA ASP 72 HA ASP 72 4.000 -22.897 10.543 527 1HB ASP 72 1HB ASP 72 5.472 -24.917 10.575 528 2HB ASP 72 2HB ASP 72 5.379 -24.130 12.151 529 H LEU 73 H LEU 73 2.913 -23.027 8.615 530 HA LEU 73 HA LEU 73 0.848 -24.852 7.952 531 1HB LEU 73 1HB LEU 73 1.260 -24.018 5.663 532 2HB LEU 73 2HB LEU 73 1.356 -22.700 6.831 533 HG LEU 73 HG LEU 73 3.941 -23.954 6.563 534 1HD1 LEU 73 1HD1 LEU 73 2.405 -23.435 4.068 535 2HD1 LEU 73 2HD1 LEU 73 4.068 -22.847 4.106 536 3HD1 LEU 73 3HD1 LEU 73 3.732 -24.559 4.359 537 1HD2 LEU 73 1HD2 LEU 73 2.842 -21.443 7.013 538 2HD2 LEU 73 2HD2 LEU 73 4.558 -21.787 6.801 539 3HD2 LEU 73 3HD2 LEU 73 3.584 -21.279 5.422 540 H GLY 7 H GLY 7 11.715 7.776 -0.644 541 1HA GLY 7 1HA GLY 7 12.473 6.420 1.166 542 2HA GLY 7 2HA GLY 7 13.461 5.767 -0.141 543 H LYS 8 H LYS 8 12.895 3.745 -1.030 544 HA LYS 8 HA LYS 8 10.516 2.368 0.156 545 1HB LYS 8 1HB LYS 8 11.258 2.740 -2.431 546 2HB LYS 8 2HB LYS 8 12.048 1.197 -2.103 547 1HG LYS 8 1HG LYS 8 9.870 0.630 -2.883 548 2HG LYS 8 2HG LYS 8 9.806 0.428 -1.131 549 1HD LYS 8 1HD LYS 8 9.117 3.043 -1.325 550 2HD LYS 8 2HD LYS 8 8.468 2.439 -2.851 551 1HE LYS 8 1HE LYS 8 6.877 1.136 -1.811 552 2HE LYS 8 2HE LYS 8 7.924 0.792 -0.420 553 1HZ LYS 8 1HZ LYS 8 7.726 3.314 -0.010 554 2HZ LYS 8 2HZ LYS 8 6.344 3.218 -0.991 555 3HZ LYS 8 3HZ LYS 8 6.432 2.317 0.446 556 H LYS 9 H LYS 9 13.906 1.676 -0.811 557 HA LYS 9 HA LYS 9 14.156 -0.833 0.492 558 1HB LYS 9 1HB LYS 9 15.678 0.538 -1.151 559 2HB LYS 9 2HB LYS 9 16.390 1.178 0.330 560 1HG LYS 9 1HG LYS 9 16.378 -1.447 0.952 561 2HG LYS 9 2HG LYS 9 16.524 -1.568 -0.803 562 1HD LYS 9 1HD LYS 9 18.762 -1.403 -0.183 563 2HD LYS 9 2HD LYS 9 18.367 0.291 -0.477 564 1HE LYS 9 1HE LYS 9 18.034 0.690 1.898 565 2HE LYS 9 2HE LYS 9 18.230 -1.038 2.253 566 1HZ LYS 9 1HZ LYS 9 20.309 0.298 0.683 567 2HZ LYS 9 2HZ LYS 9 20.270 0.596 2.356 568 3HZ LYS 9 3HZ LYS 9 20.445 -0.990 1.781 569 H ALA 10 H ALA 10 14.948 2.445 1.702 570 HA ALA 10 HA ALA 10 15.897 1.714 4.271 571 1HB ALA 10 1HB ALA 10 15.265 4.063 4.819 572 2HB ALA 10 2HB ALA 10 16.075 3.947 3.256 573 3HB ALA 10 3HB ALA 10 14.322 4.134 3.330 574 H GLU 11 H GLU 11 12.578 2.246 3.107 575 HA GLU 11 HA GLU 11 11.260 2.125 5.644 576 1HB GLU 11 1HB GLU 11 10.283 2.947 3.527 577 2HB GLU 11 2HB GLU 11 10.343 1.311 2.867 578 1HG GLU 11 1HG GLU 11 8.094 2.018 3.833 579 2HG GLU 11 2HG GLU 11 8.750 0.509 4.466 580 H ALA 12 H ALA 12 12.139 -0.416 3.300 581 HA ALA 12 HA ALA 12 10.820 -2.599 4.589 582 1HB ALA 12 1HB ALA 12 11.573 -3.319 2.570 583 2HB ALA 12 2HB ALA 12 12.832 -2.086 2.522 584 3HB ALA 12 3HB ALA 12 13.115 -3.604 3.377 585 H VAL 13 H VAL 13 14.129 -1.295 4.960 586 HA VAL 13 HA VAL 13 15.070 -3.240 6.838 587 HB VAL 13 HB VAL 13 15.738 -0.312 6.382 588 1HG1 VAL 13 1HG1 VAL 13 16.776 -2.320 8.280 589 2HG1 VAL 13 2HG1 VAL 13 18.018 -1.509 7.325 590 3HG1 VAL 13 3HG1 VAL 13 16.909 -0.562 8.316 591 1HG2 VAL 13 1HG2 VAL 13 16.914 -2.908 5.342 592 2HG2 VAL 13 2HG2 VAL 13 16.088 -1.669 4.398 593 3HG2 VAL 13 3HG2 VAL 13 17.661 -1.327 5.116 594 H ALA 14 H ALA 14 13.379 -0.134 7.265 595 HA ALA 14 HA ALA 14 13.494 -0.004 10.117 596 1HB ALA 14 1HB ALA 14 12.867 1.933 8.918 597 2HB ALA 14 2HB ALA 14 11.681 1.056 7.951 598 3HB ALA 14 3HB ALA 14 11.351 1.404 9.648 599 H THR 15 H THR 15 11.224 -1.608 7.905 600 HA THR 15 HA THR 15 9.287 -2.351 9.913 601 HB THR 15 HB THR 15 10.010 -3.415 7.166 602 HG1 THR 15 HG1 THR 15 7.913 -2.266 6.813 603 1HG2 THR 15 1HG2 THR 15 8.522 -4.759 9.063 604 2HG2 THR 15 2HG2 THR 15 7.288 -3.881 8.160 605 3HG2 THR 15 3HG2 THR 15 8.382 -4.980 7.319 606 H VAL 16 H VAL 16 12.110 -4.009 8.498 607 HA VAL 16 HA VAL 16 11.700 -6.519 9.862 608 HB VAL 16 HB VAL 16 14.189 -5.186 8.740 609 1HG1 VAL 16 1HG1 VAL 16 13.560 -8.092 9.349 610 2HG1 VAL 16 2HG1 VAL 16 15.004 -7.524 8.510 611 3HG1 VAL 16 3HG1 VAL 16 14.734 -7.084 10.197 612 1HG2 VAL 16 1HG2 VAL 16 11.808 -6.139 7.485 613 2HG2 VAL 16 2HG2 VAL 16 13.284 -5.562 6.712 614 3HG2 VAL 16 3HG2 VAL 16 13.104 -7.273 7.103 615 H VAL 17 H VAL 17 13.658 -3.625 10.611 616 HA VAL 17 HA VAL 17 14.967 -4.631 12.936 617 HB VAL 17 HB VAL 17 14.126 -1.912 11.924 618 1HG1 VAL 17 1HG1 VAL 17 15.023 -2.648 14.622 619 2HG1 VAL 17 2HG1 VAL 17 16.039 -1.426 13.859 620 3HG1 VAL 17 3HG1 VAL 17 14.309 -1.142 14.049 621 1HG2 VAL 17 1HG2 VAL 17 16.458 -3.686 11.746 622 2HG2 VAL 17 2HG2 VAL 17 15.996 -2.333 10.713 623 3HG2 VAL 17 3HG2 VAL 17 16.878 -2.037 12.210 624 H ALA 18 H ALA 18 11.864 -2.882 12.589 625 HA ALA 18 HA ALA 18 11.232 -2.744 15.377 626 1HB ALA 18 1HB ALA 18 9.904 -2.451 12.746 627 2HB ALA 18 2HB ALA 18 9.845 -1.395 14.156 628 3HB ALA 18 3HB ALA 18 8.823 -2.830 14.087 629 H ALA 19 H ALA 19 10.362 -5.157 12.880 630 HA ALA 19 HA ALA 19 8.769 -6.831 14.570 631 1HB ALA 19 1HB ALA 19 9.119 -8.456 12.755 632 2HB ALA 19 2HB ALA 19 8.849 -6.849 12.083 633 3HB ALA 19 3HB ALA 19 10.482 -7.510 12.155 634 H VAL 20 H VAL 20 12.235 -6.990 13.687 635 HA VAL 20 HA VAL 20 12.877 -9.349 15.155 636 HB VAL 20 HB VAL 20 14.481 -6.881 14.416 637 1HG1 VAL 20 1HG1 VAL 20 15.287 -9.572 15.521 638 2HG1 VAL 20 2HG1 VAL 20 16.402 -8.607 14.554 639 3HG1 VAL 20 3HG1 VAL 20 15.774 -7.970 16.074 640 1HG2 VAL 20 1HG2 VAL 20 13.369 -8.227 12.575 641 2HG2 VAL 20 2HG2 VAL 20 15.126 -8.141 12.464 642 3HG2 VAL 20 3HG2 VAL 20 14.352 -9.600 13.082 643 H ASP 21 H ASP 21 13.102 -5.899 16.106 644 HA ASP 21 HA ASP 21 14.142 -6.245 18.714 645 1HB ASP 21 1HB ASP 21 13.738 -4.124 17.370 646 2HB ASP 21 2HB ASP 21 12.040 -4.244 17.835 647 H GLN 22 H GLN 22 10.862 -6.647 17.479 648 HA GLN 22 HA GLN 22 9.458 -6.747 19.973 649 1HB GLN 22 1HB GLN 22 8.800 -6.707 17.373 650 2HB GLN 22 2HB GLN 22 8.657 -8.444 17.648 651 1HG GLN 22 1HG GLN 22 7.371 -7.475 19.849 652 2HG GLN 22 2HG GLN 22 6.977 -6.231 18.663 653 2HE2 GLN 22 2HE2 GLN 22 4.776 -6.854 18.283 654 1HE2 GLN 22 1HE2 GLN 22 4.350 -8.347 17.597 655 H ALA 23 H ALA 23 11.166 -9.231 18.090 656 HA ALA 23 HA ALA 23 10.292 -11.537 19.507 657 1HB ALA 23 1HB ALA 23 11.799 -12.540 18.116 658 2HB ALA 23 2HB ALA 23 11.925 -10.936 17.392 659 3HB ALA 23 3HB ALA 23 13.103 -11.454 18.597 660 H ARG 24 H ARG 24 13.005 -9.304 20.163 661 HA ARG 24 HA ARG 24 14.061 -10.808 22.400 662 1HB ARG 24 1HB ARG 24 14.239 -7.826 21.900 663 2HB ARG 24 2HB ARG 24 15.412 -8.846 22.728 664 1HG ARG 24 1HG ARG 24 16.362 -9.535 20.789 665 2HG ARG 24 2HG ARG 24 14.807 -9.704 19.974 666 1HD ARG 24 1HD ARG 24 15.540 -7.851 18.816 667 2HD ARG 24 2HD ARG 24 14.935 -6.987 20.244 668 HE ARG 24 HE ARG 24 17.178 -6.549 20.816 669 1HH1 ARG 24 1HH1 ARG 24 16.906 -9.332 18.789 670 2HH1 ARG 24 2HH1 ARG 24 18.614 -9.595 18.700 671 1HH2 ARG 24 1HH2 ARG 24 19.410 -6.881 20.708 672 2HH2 ARG 24 2HH2 ARG 24 20.031 -8.211 19.787 673 H VAL 25 H VAL 25 11.950 -7.940 22.166 674 HA VAL 25 HA VAL 25 11.560 -7.409 24.884 675 HB VAL 25 HB VAL 25 9.711 -7.243 22.493 676 1HG1 VAL 25 1HG1 VAL 25 9.400 -6.124 25.294 677 2HG1 VAL 25 2HG1 VAL 25 8.467 -5.558 23.908 678 3HG1 VAL 25 3HG1 VAL 25 8.304 -7.226 24.459 679 1HG2 VAL 25 1HG2 VAL 25 12.023 -5.834 23.205 680 2HG2 VAL 25 2HG2 VAL 25 10.819 -5.328 22.020 681 3HG2 VAL 25 3HG2 VAL 25 10.699 -4.774 23.690 682 H ARG 26 H ARG 26 10.454 -10.116 23.037 683 HA ARG 26 HA ARG 26 8.257 -10.849 24.816 684 1HB ARG 26 1HB ARG 26 9.282 -11.529 22.262 685 2HB ARG 26 2HB ARG 26 9.290 -13.011 23.217 686 1HG ARG 26 1HG ARG 26 7.033 -13.148 23.210 687 2HG ARG 26 2HG ARG 26 6.852 -11.438 23.601 688 1HD ARG 26 1HD ARG 26 5.895 -11.832 21.387 689 2HD ARG 26 2HD ARG 26 7.400 -10.913 21.183 690 HE ARG 26 HE ARG 26 7.857 -13.785 21.172 691 1HH1 ARG 26 1HH1 ARG 26 6.891 -11.028 19.328 692 2HH1 ARG 26 2HH1 ARG 26 7.370 -11.715 17.812 693 1HH2 ARG 26 1HH2 ARG 26 8.484 -14.688 19.202 694 2HH2 ARG 26 2HH2 ARG 26 8.268 -13.784 17.741 695 H GLU 27 H GLU 27 11.349 -10.696 25.608 696 HA GLU 27 HA GLU 27 11.548 -13.405 26.845 697 1HB GLU 27 1HB GLU 27 13.387 -12.389 25.422 698 2HB GLU 27 2HB GLU 27 13.588 -11.167 26.679 699 1HG GLU 27 1HG GLU 27 14.085 -12.909 28.330 700 2HG GLU 27 2HG GLU 27 13.824 -14.160 27.112 701 HA PRO 28 HA PRO 28 10.265 -11.630 30.667 702 1HB PRO 28 1HB PRO 28 11.846 -13.796 31.939 703 2HB PRO 28 2HB PRO 28 10.120 -13.418 32.100 704 1HG PRO 28 1HG PRO 28 10.992 -15.532 30.708 705 2HG PRO 28 2HG PRO 28 9.543 -14.626 30.250 706 1HD PRO 28 1HD PRO 28 12.244 -14.615 29.015 707 2HD PRO 28 2HD PRO 28 10.648 -14.407 28.261 708 H ARG 29 H ARG 29 11.825 -9.820 30.185 709 HA ARG 29 HA ARG 29 14.209 -9.968 31.999 710 1HB ARG 29 1HB ARG 29 13.884 -9.102 29.145 711 2HB ARG 29 2HB ARG 29 15.104 -8.303 30.137 712 1HG ARG 29 1HG ARG 29 15.017 -11.273 30.279 713 2HG ARG 29 2HG ARG 29 15.609 -10.574 28.773 714 1HD ARG 29 1HD ARG 29 16.658 -9.816 31.525 715 2HD ARG 29 2HD ARG 29 17.453 -10.960 30.424 716 HE ARG 29 HE ARG 29 17.004 -8.743 28.834 717 1HH1 ARG 29 1HH1 ARG 29 18.478 -9.312 31.905 718 2HH1 ARG 29 2HH1 ARG 29 19.630 -8.031 31.733 719 1HH2 ARG 29 1HH2 ARG 29 18.498 -7.073 28.598 720 2HH2 ARG 29 2HH2 ARG 29 19.640 -6.762 29.863 No H/Q in entry = 720 Start of MODEL 4 1 H MET 1 H MET 1 -13.966 -9.395 4.623 2 HA MET 1 HA MET 1 -12.419 -10.016 2.866 3 1HB MET 1 1HB MET 1 -14.166 -8.031 1.378 4 2HB MET 1 2HB MET 1 -12.789 -8.854 0.645 5 1HG MET 1 1HG MET 1 -14.501 -10.309 0.064 6 2HG MET 1 2HG MET 1 -13.990 -11.015 1.596 7 1HE MET 1 1HE MET 1 -15.923 -8.539 -0.178 8 2HE MET 1 2HE MET 1 -17.381 -9.527 -0.177 9 3HE MET 1 3HE MET 1 -17.301 -8.062 0.812 10 H ALA 2 H ALA 2 -11.996 -8.141 4.981 11 HA ALA 2 HA ALA 2 -9.887 -6.471 3.745 12 1HB ALA 2 1HB ALA 2 -12.345 -5.452 5.184 13 2HB ALA 2 2HB ALA 2 -10.881 -4.478 5.043 14 3HB ALA 2 3HB ALA 2 -11.746 -4.985 3.591 15 H ASP 3 H ASP 3 -8.408 -7.736 5.014 16 HA ASP 3 HA ASP 3 -8.574 -7.227 7.968 17 1HB ASP 3 1HB ASP 3 -8.563 -9.671 6.431 18 2HB ASP 3 2HB ASP 3 -7.126 -9.608 7.452 19 H THR 4 H THR 4 -6.144 -8.084 8.776 20 HA THR 4 HA THR 4 -4.220 -6.441 7.159 21 HB THR 4 HB THR 4 -3.125 -6.108 9.398 22 HG1 THR 4 HG1 THR 4 -5.474 -7.179 10.507 23 1HG2 THR 4 1HG2 THR 4 -6.046 -5.372 9.098 24 2HG2 THR 4 2HG2 THR 4 -4.992 -4.690 10.337 25 3HG2 THR 4 3HG2 THR 4 -4.647 -4.405 8.632 26 H ASP 5 H ASP 5 -1.837 -7.209 8.091 27 HA ASP 5 HA ASP 5 -1.726 -10.188 8.121 28 1HB ASP 5 1HB ASP 5 -0.487 -8.299 6.103 29 2HB ASP 5 2HB ASP 5 0.053 -9.967 6.298 30 H THR 6 H THR 6 0.260 -7.201 8.099 31 HA THR 6 HA THR 6 2.038 -6.562 9.523 32 HB THR 6 HB THR 6 1.414 -8.955 11.224 33 HG1 THR 6 HG1 THR 6 -0.383 -7.765 12.027 34 1HG2 THR 6 1HG2 THR 6 1.989 -6.032 11.774 35 2HG2 THR 6 2HG2 THR 6 1.688 -7.248 13.015 36 3HG2 THR 6 3HG2 THR 6 3.113 -7.375 11.983 37 H ALA 7 H ALA 7 1.906 -10.150 9.652 38 HA ALA 7 HA ALA 7 4.741 -10.530 9.557 39 1HB ALA 7 1HB ALA 7 2.670 -12.082 10.122 40 2HB ALA 7 2HB ALA 7 4.146 -12.792 9.471 41 3HB ALA 7 3HB ALA 7 2.770 -12.490 8.410 42 H GLU 8 H GLU 8 2.244 -10.433 7.033 43 HA GLU 8 HA GLU 8 3.766 -11.170 4.774 44 1HB GLU 8 1HB GLU 8 1.318 -10.782 4.857 45 2HB GLU 8 2HB GLU 8 1.604 -9.055 5.069 46 1HG GLU 8 1HG GLU 8 1.533 -8.919 2.813 47 2HG GLU 8 2HG GLU 8 3.129 -9.670 2.838 48 H GLN 9 H GLN 9 3.591 -8.102 6.530 49 HA GLN 9 HA GLN 9 4.939 -6.424 4.667 50 1HB GLN 9 1HB GLN 9 3.812 -6.240 7.171 51 2HB GLN 9 2HB GLN 9 5.525 -6.018 7.530 52 1HG GLN 9 1HG GLN 9 5.636 -4.261 5.769 53 2HG GLN 9 2HG GLN 9 3.900 -4.442 5.512 54 2HE2 GLN 9 2HE2 GLN 9 4.273 -1.964 6.234 55 1HE2 GLN 9 1HE2 GLN 9 4.060 -1.677 7.894 56 H VAL 10 H VAL 10 6.244 -8.562 7.226 57 HA VAL 10 HA VAL 10 8.981 -7.819 7.019 58 HB VAL 10 HB VAL 10 7.642 -10.484 7.600 59 1HG1 VAL 10 1HG1 VAL 10 10.468 -9.629 7.542 60 2HG1 VAL 10 2HG1 VAL 10 9.979 -10.439 9.030 61 3HG1 VAL 10 3HG1 VAL 10 9.783 -11.252 7.478 62 1HG2 VAL 10 1HG2 VAL 10 8.067 -7.980 9.101 63 2HG2 VAL 10 2HG2 VAL 10 6.907 -9.277 9.386 64 3HG2 VAL 10 3HG2 VAL 10 8.565 -9.432 9.968 65 H ILE 11 H ILE 11 7.085 -10.225 5.193 66 HA ILE 11 HA ILE 11 9.222 -11.265 3.601 67 HB ILE 11 HB ILE 11 6.257 -10.911 3.024 68 1HG1 ILE 11 1HG1 ILE 11 7.778 -13.246 4.227 69 2HG1 ILE 11 2HG1 ILE 11 6.778 -12.116 5.142 70 1HG2 ILE 11 1HG2 ILE 11 8.117 -11.619 1.200 71 2HG2 ILE 11 2HG2 ILE 11 7.830 -13.192 1.941 72 3HG2 ILE 11 3HG2 ILE 11 6.491 -12.303 1.215 73 1HD1 ILE 11 1HD1 ILE 11 5.067 -12.869 3.131 74 2HD1 ILE 11 2HD1 ILE 11 5.970 -14.359 3.409 75 3HD1 ILE 11 3HD1 ILE 11 5.100 -13.594 4.739 76 H ALA 12 H ALA 12 6.838 -8.676 2.924 77 HA ALA 12 HA ALA 12 7.834 -7.907 0.369 78 1HB ALA 12 1HB ALA 12 6.677 -6.065 2.477 79 2HB ALA 12 2HB ALA 12 5.687 -7.259 1.639 80 3HB ALA 12 3HB ALA 12 6.473 -5.970 0.729 81 H SER 13 H SER 13 8.624 -6.683 3.638 82 HA SER 13 HA SER 13 10.578 -4.759 2.809 83 1HB SER 13 1HB SER 13 10.337 -6.383 5.364 84 2HB SER 13 2HB SER 13 11.232 -4.876 5.188 85 HG SER 13 HG SER 13 9.222 -3.898 4.589 86 H PHE 14 H PHE 14 10.805 -8.201 3.700 87 HA PHE 14 HA PHE 14 13.683 -8.382 3.504 88 1HB PHE 14 1HB PHE 14 11.315 -10.140 3.769 89 2HB PHE 14 2HB PHE 14 12.720 -10.898 3.019 90 HD1 PHE 14 HD1 PHE 14 11.185 -10.602 6.046 91 HD2 PHE 14 HD2 PHE 14 15.031 -9.892 4.272 92 HE1 PHE 14 HE1 PHE 14 12.252 -10.827 8.273 93 HE2 PHE 14 HE2 PHE 14 16.100 -10.117 6.498 94 HZ PHE 14 HZ PHE 14 14.710 -10.585 8.499 95 H ARG 15 H ARG 15 11.014 -8.995 1.219 96 HA ARG 15 HA ARG 15 12.452 -10.074 -0.951 97 1HB ARG 15 1HB ARG 15 9.895 -9.186 -0.396 98 2HB ARG 15 2HB ARG 15 10.426 -8.046 -1.632 99 1HG ARG 15 1HG ARG 15 11.298 -10.281 -2.799 100 2HG ARG 15 2HG ARG 15 10.010 -10.997 -1.830 101 1HD ARG 15 1HD ARG 15 8.908 -8.644 -2.959 102 2HD ARG 15 2HD ARG 15 9.769 -9.473 -4.270 103 HE ARG 15 HE ARG 15 8.240 -11.271 -4.071 104 1HH1 ARG 15 1HH1 ARG 15 8.147 -9.176 -1.326 105 2HH1 ARG 15 2HH1 ARG 15 6.780 -9.961 -0.613 106 1HH2 ARG 15 1HH2 ARG 15 6.458 -12.301 -3.150 107 2HH2 ARG 15 2HH2 ARG 15 5.826 -11.730 -1.642 108 H ILE 16 H ILE 16 11.884 -6.640 -0.125 109 HA ILE 16 HA ILE 16 13.269 -5.463 -2.310 110 HB ILE 16 HB ILE 16 12.682 -4.698 0.553 111 1HG1 ILE 16 1HG1 ILE 16 11.766 -3.207 -1.874 112 2HG1 ILE 16 2HG1 ILE 16 11.048 -4.787 -1.558 113 1HG2 ILE 16 1HG2 ILE 16 14.562 -3.417 -1.334 114 2HG2 ILE 16 2HG2 ILE 16 13.365 -2.328 -0.634 115 3HG2 ILE 16 3HG2 ILE 16 14.438 -3.252 0.418 116 1HD1 ILE 16 1HD1 ILE 16 11.171 -2.505 0.437 117 2HD1 ILE 16 2HD1 ILE 16 9.747 -2.953 -0.503 118 3HD1 ILE 16 3HD1 ILE 16 10.399 -4.070 0.696 119 H LEU 17 H LEU 17 14.443 -6.482 0.904 120 HA LEU 17 HA LEU 17 17.176 -5.679 0.545 121 1HB LEU 17 1HB LEU 17 15.504 -7.271 2.367 122 2HB LEU 17 2HB LEU 17 17.170 -7.840 2.274 123 HG LEU 17 HG LEU 17 17.981 -5.562 2.755 124 1HD1 LEU 17 1HD1 LEU 17 15.051 -4.982 2.544 125 2HD1 LEU 17 2HD1 LEU 17 16.011 -4.037 3.683 126 3HD1 LEU 17 3HD1 LEU 17 16.424 -4.036 1.968 127 1HD2 LEU 17 1HD2 LEU 17 17.411 -7.209 4.594 128 2HD2 LEU 17 2HD2 LEU 17 17.369 -5.517 5.091 129 3HD2 LEU 17 3HD2 LEU 17 15.865 -6.380 4.766 130 H ALA 18 H ALA 18 15.435 -8.708 -0.142 131 HA ALA 18 HA ALA 18 17.852 -10.098 -1.050 132 1HB ALA 18 1HB ALA 18 14.940 -10.826 -1.458 133 2HB ALA 18 2HB ALA 18 16.321 -11.920 -1.377 134 3HB ALA 18 3HB ALA 18 15.778 -11.077 0.073 135 H SER 19 H SER 19 16.342 -7.582 -2.405 136 HA SER 19 HA SER 19 16.215 -6.768 -4.620 137 1HB SER 19 1HB SER 19 18.418 -8.518 -4.369 138 2HB SER 19 2HB SER 19 17.635 -8.953 -5.886 139 HG SER 19 HG SER 19 19.089 -7.274 -6.241 140 H ASP 20 H ASP 20 13.972 -8.181 -3.823 141 HA ASP 20 HA ASP 20 12.088 -9.285 -4.730 142 1HB ASP 20 1HB ASP 20 12.993 -7.658 -6.590 143 2HB ASP 20 2HB ASP 20 13.482 -9.152 -7.391 144 H LYS 21 H LYS 21 13.645 -11.100 -3.539 145 HA LYS 21 HA LYS 21 13.694 -13.386 -5.462 146 1HB LYS 21 1HB LYS 21 15.867 -12.394 -3.605 147 2HB LYS 21 2HB LYS 21 15.868 -14.032 -4.256 148 1HG LYS 21 1HG LYS 21 15.397 -12.532 -6.509 149 2HG LYS 21 2HG LYS 21 16.484 -11.485 -5.596 150 1HD LYS 21 1HD LYS 21 18.247 -12.810 -6.050 151 2HD LYS 21 2HD LYS 21 17.385 -14.236 -5.471 152 1HE LYS 21 1HE LYS 21 17.616 -14.830 -7.704 153 2HE LYS 21 2HE LYS 21 16.106 -13.906 -7.825 154 1HZ LYS 21 1HZ LYS 21 18.702 -12.516 -7.924 155 2HZ LYS 21 2HZ LYS 21 18.093 -13.250 -9.325 156 3HZ LYS 21 3HZ LYS 21 17.202 -12.027 -8.552 157 HA PRO 22 HA PRO 22 11.453 -15.279 -2.191 158 1HB PRO 22 1HB PRO 22 12.158 -17.921 -2.704 159 2HB PRO 22 2HB PRO 22 10.842 -17.052 -3.516 160 1HG PRO 22 1HG PRO 22 13.599 -17.616 -4.453 161 2HG PRO 22 2HG PRO 22 12.084 -17.546 -5.366 162 1HD PRO 22 1HD PRO 22 13.916 -15.562 -5.430 163 2HD PRO 22 2HD PRO 22 12.172 -15.263 -5.595 164 H TYR 23 H TYR 23 14.841 -15.395 -2.630 165 HA TYR 23 HA TYR 23 15.195 -16.177 0.237 166 1HB TYR 23 1HB TYR 23 16.986 -17.678 -0.400 167 2HB TYR 23 2HB TYR 23 15.585 -18.080 -1.391 168 HD1 TYR 23 HD1 TYR 23 15.487 -17.423 -3.769 169 HD2 TYR 23 HD2 TYR 23 18.960 -16.649 -1.362 170 HE1 TYR 23 HE1 TYR 23 16.812 -16.992 -5.820 171 HE2 TYR 23 HE2 TYR 23 20.286 -16.217 -3.414 172 HH TYR 23 HH TYR 23 18.826 -15.830 -6.496 173 H ILE 24 H ILE 24 17.443 -15.509 1.002 174 HA ILE 24 HA ILE 24 18.639 -13.288 -0.588 175 HB ILE 24 HB ILE 24 16.848 -12.405 0.912 176 1HG1 ILE 24 1HG1 ILE 24 19.690 -11.707 1.724 177 2HG1 ILE 24 2HG1 ILE 24 18.792 -10.994 0.383 178 1HG2 ILE 24 1HG2 ILE 24 18.480 -13.924 2.918 179 2HG2 ILE 24 2HG2 ILE 24 17.652 -12.455 3.432 180 3HG2 ILE 24 3HG2 ILE 24 16.727 -13.801 2.767 181 1HD1 ILE 24 1HD1 ILE 24 17.602 -10.925 3.137 182 2HD1 ILE 24 2HD1 ILE 24 18.863 -9.766 2.715 183 3HD1 ILE 24 3HD1 ILE 24 17.361 -9.812 1.790 184 H LEU 25 H LEU 25 20.810 -12.717 0.209 185 HA LEU 25 HA LEU 25 22.217 -15.047 1.354 186 1HB LEU 25 1HB LEU 25 23.270 -12.350 0.449 187 2HB LEU 25 2HB LEU 25 24.182 -13.853 0.597 188 HG LEU 25 HG LEU 25 21.790 -13.624 -1.233 189 1HD1 LEU 25 1HD1 LEU 25 23.558 -11.896 -1.779 190 2HD1 LEU 25 2HD1 LEU 25 24.687 -13.229 -2.025 191 3HD1 LEU 25 3HD1 LEU 25 23.266 -13.076 -3.058 192 1HD2 LEU 25 1HD2 LEU 25 23.844 -15.625 -0.562 193 2HD2 LEU 25 2HD2 LEU 25 22.251 -15.850 -1.285 194 3HD2 LEU 25 3HD2 LEU 25 23.622 -15.387 -2.295 195 H ALA 26 H ALA 26 23.195 -15.050 3.391 196 HA ALA 26 HA ALA 26 22.189 -13.408 5.475 197 1HB ALA 26 1HB ALA 26 24.360 -15.381 5.033 198 2HB ALA 26 2HB ALA 26 23.122 -15.338 6.289 199 3HB ALA 26 3HB ALA 26 24.564 -14.332 6.436 200 H GLU 27 H GLU 27 25.048 -13.038 3.416 201 HA GLU 27 HA GLU 27 26.362 -10.967 4.883 202 1HB GLU 27 1HB GLU 27 26.278 -12.022 2.088 203 2HB GLU 27 2HB GLU 27 27.083 -10.478 2.354 204 1HG GLU 27 1HG GLU 27 28.485 -11.519 4.110 205 2HG GLU 27 2HG GLU 27 27.701 -13.070 3.802 206 H GLU 28 H GLU 28 23.813 -10.862 2.395 207 HA GLU 28 HA GLU 28 23.733 -8.054 1.973 208 1HB GLU 28 1HB GLU 28 22.328 -10.369 1.226 209 2HB GLU 28 2HB GLU 28 21.118 -9.339 1.992 210 1HG GLU 28 1HG GLU 28 21.176 -8.750 -0.346 211 2HG GLU 28 2HG GLU 28 21.952 -7.440 0.545 212 H LEU 29 H LEU 29 22.144 -10.090 4.425 213 HA LEU 29 HA LEU 29 20.537 -8.094 5.663 214 1HB LEU 29 1HB LEU 29 21.672 -10.757 6.253 215 2HB LEU 29 2HB LEU 29 21.310 -9.793 7.686 216 HG LEU 29 HG LEU 29 19.405 -11.255 6.824 217 1HD1 LEU 29 1HD1 LEU 29 19.283 -9.052 8.230 218 2HD1 LEU 29 2HD1 LEU 29 18.649 -8.343 6.745 219 3HD1 LEU 29 3HD1 LEU 29 17.803 -9.687 7.512 220 1HD2 LEU 29 1HD2 LEU 29 19.901 -10.698 4.399 221 2HD2 LEU 29 2HD2 LEU 29 18.209 -10.523 4.863 222 3HD2 LEU 29 3HD2 LEU 29 19.231 -9.095 4.704 223 H ARG 30 H ARG 30 23.956 -8.961 6.078 224 HA ARG 30 HA ARG 30 24.449 -7.303 8.386 225 1HB ARG 30 1HB ARG 30 26.300 -8.267 6.183 226 2HB ARG 30 2HB ARG 30 26.786 -7.764 7.798 227 1HG ARG 30 1HG ARG 30 25.344 -9.596 8.735 228 2HG ARG 30 2HG ARG 30 25.067 -10.151 7.084 229 1HD ARG 30 1HD ARG 30 27.241 -10.921 6.830 230 2HD ARG 30 2HD ARG 30 27.901 -9.735 7.974 231 HE ARG 30 HE ARG 30 26.057 -11.540 9.284 232 1HH1 ARG 30 1HH1 ARG 30 29.260 -11.183 8.043 233 2HH1 ARG 30 2HH1 ARG 30 29.948 -12.344 9.128 234 1HH2 ARG 30 1HH2 ARG 30 26.944 -13.054 10.704 235 2HH2 ARG 30 2HH2 ARG 30 28.639 -13.401 10.634 236 H ARG 31 H ARG 31 24.599 -6.734 4.883 237 HA ARG 31 HA ARG 31 25.759 -4.046 5.235 238 1HB ARG 31 1HB ARG 31 25.872 -5.964 3.313 239 2HB ARG 31 2HB ARG 31 24.614 -4.924 2.645 240 1HG ARG 31 1HG ARG 31 26.168 -2.958 3.051 241 2HG ARG 31 2HG ARG 31 27.433 -4.132 3.419 242 1HD ARG 31 1HD ARG 31 27.466 -4.973 1.209 243 2HD ARG 31 2HD ARG 31 25.868 -4.296 0.836 244 HE ARG 31 HE ARG 31 27.410 -2.087 1.536 245 1HH1 ARG 31 1HH1 ARG 31 27.610 -4.676 -0.744 246 2HH1 ARG 31 2HH1 ARG 31 28.474 -3.743 -1.919 247 1HH2 ARG 31 1HH2 ARG 31 28.540 -0.865 0.008 248 2HH2 ARG 31 2HH2 ARG 31 29.001 -1.592 -1.495 249 H GLU 32 H GLU 32 22.583 -5.441 5.037 250 HA GLU 32 HA GLU 32 21.381 -2.817 4.281 251 1HB GLU 32 1HB GLU 32 20.598 -5.700 4.257 252 2HB GLU 32 2HB GLU 32 19.308 -4.504 4.399 253 1HG GLU 32 1HG GLU 32 19.887 -5.152 2.020 254 2HG GLU 32 2HG GLU 32 19.979 -3.422 2.357 255 H LEU 33 H LEU 33 21.760 -4.985 7.010 256 HA LEU 33 HA LEU 33 20.024 -3.151 8.625 257 1HB LEU 33 1HB LEU 33 20.060 -6.060 8.205 258 2HB LEU 33 2HB LEU 33 20.029 -5.597 9.904 259 HG LEU 33 HG LEU 33 18.215 -3.877 8.587 260 1HD1 LEU 33 1HD1 LEU 33 18.468 -5.933 6.889 261 2HD1 LEU 33 2HD1 LEU 33 17.322 -6.666 8.011 262 3HD1 LEU 33 3HD1 LEU 33 16.910 -5.162 7.187 263 1HD2 LEU 33 1HD2 LEU 33 18.101 -4.789 10.913 264 2HD2 LEU 33 2HD2 LEU 33 16.583 -4.978 10.035 265 3HD2 LEU 33 3HD2 LEU 33 17.660 -6.360 10.242 266 HA PRO 34 HA PRO 34 23.336 -2.567 11.407 267 1HB PRO 34 1HB PRO 34 21.696 -3.554 13.676 268 2HB PRO 34 2HB PRO 34 22.455 -1.967 13.443 269 1HG PRO 34 1HG PRO 34 19.810 -2.330 13.225 270 2HG PRO 34 2HG PRO 34 20.692 -1.145 12.248 271 1HD PRO 34 1HD PRO 34 19.584 -3.787 11.465 272 2HD PRO 34 2HD PRO 34 19.761 -2.298 10.510 273 HA PRO 35 HA PRO 35 25.403 -6.453 11.479 274 1HB PRO 35 1HB PRO 35 26.600 -5.685 14.060 275 2HB PRO 35 2HB PRO 35 27.395 -6.012 12.509 276 1HG PRO 35 1HG PRO 35 27.209 -3.541 13.565 277 2HG PRO 35 2HG PRO 35 27.244 -3.847 11.822 278 1HD PRO 35 1HD PRO 35 24.940 -3.150 13.573 279 2HD PRO 35 2HD PRO 35 25.270 -2.685 11.889 280 H ASP 36 H ASP 36 23.998 -5.182 14.500 281 HA ASP 36 HA ASP 36 23.745 -7.701 15.849 282 1HB ASP 36 1HB ASP 36 22.038 -6.343 17.174 283 2HB ASP 36 2HB ASP 36 23.643 -5.625 17.047 284 H GLN 37 H GLN 37 21.466 -5.883 13.769 285 HA GLN 37 HA GLN 37 19.261 -7.708 14.114 286 1HB GLN 37 1HB GLN 37 20.014 -5.339 12.575 287 2HB GLN 37 2HB GLN 37 18.977 -6.431 11.656 288 1HG GLN 37 1HG GLN 37 17.560 -4.895 12.887 289 2HG GLN 37 2HG GLN 37 17.411 -6.493 13.619 290 2HE2 GLN 37 2HE2 GLN 37 18.443 -6.842 15.722 291 1HE2 GLN 37 1HE2 GLN 37 18.952 -5.535 16.678 292 H ALA 38 H ALA 38 21.850 -7.465 11.676 293 HA ALA 38 HA ALA 38 20.879 -9.431 9.860 294 1HB ALA 38 1HB ALA 38 23.663 -8.514 10.634 295 2HB ALA 38 2HB ALA 38 23.322 -9.515 9.223 296 3HB ALA 38 3HB ALA 38 22.663 -7.883 9.327 297 H GLN 39 H GLN 39 23.041 -9.784 12.696 298 HA GLN 39 HA GLN 39 23.560 -12.581 12.368 299 1HB GLN 39 1HB GLN 39 24.660 -10.760 13.850 300 2HB GLN 39 2HB GLN 39 23.380 -11.127 15.007 301 1HG GLN 39 1HG GLN 39 24.057 -13.557 14.850 302 2HG GLN 39 2HG GLN 39 25.455 -13.039 13.906 303 2HE2 GLN 39 2HE2 GLN 39 25.652 -14.306 16.525 304 1HE2 GLN 39 1HE2 GLN 39 26.341 -13.170 17.584 305 H TYR 40 H TYR 40 21.123 -10.893 14.390 306 HA TYR 40 HA TYR 40 19.934 -13.253 15.482 307 1HB TYR 40 1HB TYR 40 19.671 -10.471 15.636 308 2HB TYR 40 2HB TYR 40 18.102 -11.027 15.052 309 HD1 TYR 40 HD1 TYR 40 20.689 -11.757 17.660 310 HD2 TYR 40 HD2 TYR 40 16.541 -11.933 16.555 311 HE1 TYR 40 HE1 TYR 40 20.114 -12.539 19.943 312 HE2 TYR 40 HE2 TYR 40 15.967 -12.715 18.837 313 HH TYR 40 HH TYR 40 17.445 -12.344 21.332 314 H CYS 41 H CYS 41 19.099 -11.328 12.588 315 HA CYS 41 HA CYS 41 16.771 -12.830 11.848 316 1HB CYS 41 1HB CYS 41 18.773 -11.229 10.223 317 2HB CYS 41 2HB CYS 41 17.174 -11.712 9.658 318 HG CYS 41 HG CYS 41 17.486 -9.880 12.176 319 H ILE 42 H ILE 42 20.155 -13.046 10.671 320 HA ILE 42 HA ILE 42 19.742 -15.232 8.888 321 HB ILE 42 HB ILE 42 22.110 -14.204 10.471 322 1HG1 ILE 42 1HG1 ILE 42 21.773 -14.091 7.491 323 2HG1 ILE 42 2HG1 ILE 42 20.861 -12.962 8.493 324 1HG2 ILE 42 1HG2 ILE 42 21.851 -16.561 8.654 325 2HG2 ILE 42 2HG2 ILE 42 23.296 -15.562 8.495 326 3HG2 ILE 42 3HG2 ILE 42 22.915 -16.325 10.040 327 1HD1 ILE 42 1HD1 ILE 42 23.540 -13.037 9.479 328 2HD1 ILE 42 2HD1 ILE 42 23.613 -12.818 7.730 329 3HD1 ILE 42 3HD1 ILE 42 22.698 -11.684 8.723 330 H LYS 43 H LYS 43 19.825 -15.133 12.349 331 HA LYS 43 HA LYS 43 20.590 -17.953 12.674 332 1HB LYS 43 1HB LYS 43 20.499 -15.586 14.210 333 2HB LYS 43 2HB LYS 43 19.353 -16.693 14.965 334 1HG LYS 43 1HG LYS 43 21.512 -18.331 14.370 335 2HG LYS 43 2HG LYS 43 22.277 -16.824 14.874 336 1HD LYS 43 1HD LYS 43 20.951 -16.825 16.944 337 2HD LYS 43 2HD LYS 43 20.152 -18.316 16.441 338 1HE LYS 43 1HE LYS 43 22.012 -19.620 16.875 339 2HE LYS 43 2HE LYS 43 23.145 -18.307 16.494 340 1HZ LYS 43 1HZ LYS 43 21.308 -18.235 18.821 341 2HZ LYS 43 2HZ LYS 43 22.900 -18.821 18.926 342 3HZ LYS 43 3HZ LYS 43 22.614 -17.201 18.501 343 H ARG 44 H ARG 44 17.668 -16.132 12.187 344 HA ARG 44 HA ARG 44 15.920 -18.241 13.305 345 1HB ARG 44 1HB ARG 44 15.458 -15.610 11.865 346 2HB ARG 44 2HB ARG 44 14.157 -16.627 12.482 347 1HG ARG 44 1HG ARG 44 16.404 -15.784 14.295 348 2HG ARG 44 2HG ARG 44 15.052 -14.694 13.988 349 1HD ARG 44 1HD ARG 44 13.623 -15.932 15.267 350 2HD ARG 44 2HD ARG 44 14.246 -17.467 14.627 351 HE ARG 44 HE ARG 44 15.793 -17.521 16.411 352 1HH1 ARG 44 1HH1 ARG 44 14.467 -14.364 15.947 353 2HH1 ARG 44 2HH1 ARG 44 15.251 -13.691 17.337 354 1HH2 ARG 44 1HH2 ARG 44 16.823 -16.651 18.220 355 2HH2 ARG 44 2HH2 ARG 44 16.586 -14.982 18.620 356 H MET 45 H MET 45 15.852 -16.570 10.135 357 HA MET 45 HA MET 45 14.439 -18.433 8.654 358 1HB MET 45 1HB MET 45 15.790 -17.508 6.740 359 2HB MET 45 2HB MET 45 15.154 -16.268 7.817 360 1HG MET 45 1HG MET 45 17.322 -16.197 9.004 361 2HG MET 45 2HG MET 45 17.960 -17.415 7.899 362 1HE MET 45 1HE MET 45 15.821 -14.456 8.060 363 2HE MET 45 2HE MET 45 16.519 -13.214 7.024 364 3HE MET 45 3HE MET 45 15.487 -14.474 6.331 365 HA PRO 46 HA PRO 46 17.262 -21.841 8.676 366 1HB PRO 46 1HB PRO 46 15.283 -23.171 6.925 367 2HB PRO 46 2HB PRO 46 15.857 -23.644 8.535 368 1HG PRO 46 1HG PRO 46 13.398 -22.652 8.111 369 2HG PRO 46 2HG PRO 46 14.296 -22.381 9.612 370 1HD PRO 46 1HD PRO 46 13.789 -20.518 7.352 371 2HD PRO 46 2HD PRO 46 13.940 -20.183 9.091 372 H ALA 47 H ALA 47 17.059 -23.641 6.295 373 HA ALA 47 HA ALA 47 18.789 -22.045 4.490 374 1HB ALA 47 1HB ALA 47 18.155 -24.957 4.953 375 2HB ALA 47 2HB ALA 47 19.708 -24.132 5.092 376 3HB ALA 47 3HB ALA 47 19.019 -24.450 3.501 377 H TYR 48 H TYR 48 18.077 -21.337 2.512 378 HA TYR 48 HA TYR 48 15.416 -21.230 1.689 379 1HB TYR 48 1HB TYR 48 16.999 -19.868 0.598 380 2HB TYR 48 2HB TYR 48 18.079 -21.223 0.278 381 HD1 TYR 48 HD1 TYR 48 18.291 -21.429 -2.043 382 HD2 TYR 48 HD2 TYR 48 14.403 -20.797 -0.331 383 HE1 TYR 48 HE1 TYR 48 17.259 -21.727 -4.277 384 HE2 TYR 48 HE2 TYR 48 13.371 -21.095 -2.566 385 HH TYR 48 HH TYR 48 13.908 -22.163 -4.713 386 H SER 49 H SER 49 17.794 -23.435 0.152 387 HA SER 49 HA SER 49 15.630 -25.501 -0.023 388 1HB SER 49 1HB SER 49 17.085 -24.033 -2.100 389 2HB SER 49 2HB SER 49 17.159 -25.778 -2.320 390 HG SER 49 HG SER 49 14.762 -25.574 -1.815 391 H GLY 50 H GLY 50 17.733 -25.439 1.929 392 1HA GLY 50 1HA GLY 50 18.923 -28.045 1.452 393 2HA GLY 50 2HA GLY 50 19.208 -27.023 2.862 394 HA PRO 51 HA PRO 51 23.153 -26.144 1.221 395 1HB PRO 51 1HB PRO 51 24.510 -28.529 0.929 396 2HB PRO 51 2HB PRO 51 24.238 -27.729 2.489 397 1HG PRO 51 1HG PRO 51 22.808 -30.025 1.265 398 2HG PRO 51 2HG PRO 51 23.218 -29.720 2.959 399 1HD PRO 51 1HD PRO 51 20.727 -29.355 1.941 400 2HD PRO 51 2HD PRO 51 21.368 -28.425 3.313 401 H GLY 52 H GLY 52 21.566 -25.871 -0.861 402 1HA GLY 52 1HA GLY 52 21.231 -27.139 -3.107 403 2HA GLY 52 2HA GLY 52 22.992 -27.243 -3.096 404 H SER 53 H SER 53 20.770 -24.561 -2.266 405 HA SER 53 HA SER 53 21.106 -23.015 -4.559 406 1HB SER 53 1HB SER 53 19.617 -22.832 -2.395 407 2HB SER 53 2HB SER 53 20.912 -21.781 -1.837 408 HG SER 53 HG SER 53 19.330 -21.522 -4.180 409 H VAL 54 H VAL 54 22.072 -20.523 -3.362 410 HA VAL 54 HA VAL 54 24.825 -20.605 -4.096 411 HB VAL 54 HB VAL 54 24.834 -18.338 -3.172 412 1HG1 VAL 54 1HG1 VAL 54 23.160 -19.246 -5.144 413 2HG1 VAL 54 2HG1 VAL 54 22.027 -18.416 -4.077 414 3HG1 VAL 54 3HG1 VAL 54 23.402 -17.543 -4.751 415 1HG2 VAL 54 1HG2 VAL 54 22.984 -19.506 -1.324 416 2HG2 VAL 54 2HG2 VAL 54 23.704 -17.896 -1.274 417 3HG2 VAL 54 3HG2 VAL 54 22.181 -18.156 -2.126 418 HA PRO 55 HA PRO 55 26.686 -21.585 -0.225 419 1HB PRO 55 1HB PRO 55 28.441 -19.196 -0.246 420 2HB PRO 55 2HB PRO 55 28.871 -20.911 -0.397 421 1HG PRO 55 1HG PRO 55 28.959 -19.222 -2.476 422 2HG PRO 55 2HG PRO 55 28.547 -20.935 -2.654 423 1HD PRO 55 1HD PRO 55 26.779 -18.549 -2.742 424 2HD PRO 55 2HD PRO 55 26.653 -20.090 -3.618 425 H GLY 56 H GLY 56 24.367 -19.772 0.124 426 1HA GLY 56 1HA GLY 56 25.011 -17.842 2.189 427 2HA GLY 56 2HA GLY 56 24.383 -19.341 2.874 428 H ALA 57 H ALA 57 22.557 -19.970 0.757 429 HA ALA 57 HA ALA 57 20.762 -17.665 0.406 430 1HB ALA 57 1HB ALA 57 19.578 -20.171 -0.296 431 2HB ALA 57 2HB ALA 57 20.235 -18.945 -1.379 432 3HB ALA 57 3HB ALA 57 21.277 -20.229 -0.766 433 H LEU 58 H LEU 58 19.423 -17.085 2.076 434 HA LEU 58 HA LEU 58 18.351 -19.264 3.841 435 1HB LEU 58 1HB LEU 58 19.067 -16.364 4.373 436 2HB LEU 58 2HB LEU 58 18.266 -17.407 5.548 437 HG LEU 58 HG LEU 58 20.602 -18.709 4.405 438 1HD1 LEU 58 1HD1 LEU 58 21.348 -16.323 4.220 439 2HD1 LEU 58 2HD1 LEU 58 21.079 -16.145 5.954 440 3HD1 LEU 58 3HD1 LEU 58 22.308 -17.262 5.363 441 1HD2 LEU 58 1HD2 LEU 58 19.314 -19.257 6.525 442 2HD2 LEU 58 2HD2 LEU 58 21.063 -19.161 6.726 443 3HD2 LEU 58 3HD2 LEU 58 20.041 -17.823 7.250 444 H ASP 59 H ASP 59 16.143 -18.862 4.657 445 HA ASP 59 HA ASP 59 14.518 -17.215 2.748 446 1HB ASP 59 1HB ASP 59 14.309 -19.913 3.952 447 2HB ASP 59 2HB ASP 59 12.798 -19.005 3.891 448 H TYR 60 H TYR 60 13.898 -15.340 3.769 449 HA TYR 60 HA TYR 60 13.734 -15.124 6.675 450 1HB TYR 60 1HB TYR 60 12.924 -12.812 6.033 451 2HB TYR 60 2HB TYR 60 14.474 -13.260 5.320 452 HD1 TYR 60 HD1 TYR 60 14.766 -13.272 2.978 453 HD2 TYR 60 HD2 TYR 60 10.801 -13.203 4.631 454 HE1 TYR 60 HE1 TYR 60 13.825 -12.921 0.710 455 HE2 TYR 60 HE2 TYR 60 9.862 -12.852 2.364 456 HH TYR 60 HH TYR 60 11.729 -13.244 -0.480 457 H ALA 61 H ALA 61 11.519 -15.885 4.093 458 HA ALA 61 HA ALA 61 9.033 -15.096 5.191 459 1HB ALA 61 1HB ALA 61 9.740 -17.614 3.647 460 2HB ALA 61 2HB ALA 61 8.148 -16.857 3.725 461 3HB ALA 61 3HB ALA 61 9.482 -16.029 2.918 462 H ALA 62 H ALA 62 11.043 -17.948 5.870 463 HA ALA 62 HA ALA 62 9.123 -19.314 7.523 464 1HB ALA 62 1HB ALA 62 12.108 -19.485 7.853 465 2HB ALA 62 2HB ALA 62 11.355 -20.057 6.364 466 3HB ALA 62 3HB ALA 62 10.917 -20.786 7.909 467 H PHE 63 H PHE 63 11.583 -16.895 8.144 468 HA PHE 63 HA PHE 63 11.432 -16.997 11.038 469 1HB PHE 63 1HB PHE 63 13.372 -16.146 9.814 470 2HB PHE 63 2HB PHE 63 12.381 -14.897 9.061 471 HD1 PHE 63 HD1 PHE 63 11.778 -15.869 12.544 472 HD2 PHE 63 HD2 PHE 63 13.818 -13.105 9.966 473 HE1 PHE 63 HE1 PHE 63 12.193 -14.372 14.477 474 HE2 PHE 63 HE2 PHE 63 14.231 -11.607 11.899 475 HZ PHE 63 HZ PHE 63 13.419 -12.241 14.155 476 H SER 64 H SER 64 9.675 -15.291 8.510 477 HA SER 64 HA SER 64 8.455 -13.258 10.129 478 1HB SER 64 1HB SER 64 7.234 -12.847 8.174 479 2HB SER 64 2HB SER 64 8.637 -13.698 7.533 480 HG SER 64 HG SER 64 7.437 -15.570 7.454 481 H SER 65 H SER 65 7.313 -16.504 9.136 482 HA SER 65 HA SER 65 4.806 -16.380 10.540 483 1HB SER 65 1HB SER 65 6.552 -18.732 9.742 484 2HB SER 65 2HB SER 65 4.835 -18.817 10.126 485 HG SER 65 HG SER 65 4.760 -17.064 8.386 486 H ALA 66 H ALA 66 7.996 -17.726 11.422 487 HA ALA 66 HA ALA 66 7.227 -18.762 13.984 488 1HB ALA 66 1HB ALA 66 9.500 -19.221 14.147 489 2HB ALA 66 2HB ALA 66 9.965 -17.676 13.437 490 3HB ALA 66 3HB ALA 66 9.366 -18.977 12.407 491 H LEU 67 H LEU 67 8.253 -15.557 12.903 492 HA LEU 67 HA LEU 67 8.813 -14.401 15.459 493 1HB LEU 67 1HB LEU 67 8.739 -13.675 12.744 494 2HB LEU 67 2HB LEU 67 7.603 -12.583 13.539 495 HG LEU 67 HG LEU 67 10.468 -13.075 14.407 496 1HD1 LEU 67 1HD1 LEU 67 9.136 -10.704 13.058 497 2HD1 LEU 67 2HD1 LEU 67 10.785 -10.711 13.684 498 3HD1 LEU 67 3HD1 LEU 67 10.348 -11.767 12.340 499 1HD2 LEU 67 1HD2 LEU 67 8.234 -11.334 15.477 500 2HD2 LEU 67 2HD2 LEU 67 9.165 -12.554 16.345 501 3HD2 LEU 67 3HD2 LEU 67 9.929 -11.038 15.862 502 H TYR 68 H TYR 68 5.790 -14.638 13.575 503 HA TYR 68 HA TYR 68 4.283 -13.358 15.794 504 1HB TYR 68 1HB TYR 68 3.767 -14.116 12.919 505 2HB TYR 68 2HB TYR 68 2.443 -13.647 13.984 506 HD1 TYR 68 HD1 TYR 68 5.800 -12.512 12.787 507 HD2 TYR 68 HD2 TYR 68 1.965 -11.373 14.350 508 HE1 TYR 68 HE1 TYR 68 6.370 -10.123 12.444 509 HE2 TYR 68 HE2 TYR 68 2.534 -8.984 14.008 510 HH TYR 68 HH TYR 68 4.936 -7.929 12.074 511 H GLY 69 H GLY 69 5.170 -16.467 14.744 512 1HA GLY 69 1HA GLY 69 3.078 -18.189 14.954 513 2HA GLY 69 2HA GLY 69 3.283 -17.697 16.635 514 H GLU 70 H GLU 70 5.184 -18.359 17.747 515 HA GLU 70 HA GLU 70 7.269 -19.886 16.346 516 1HB GLU 70 1HB GLU 70 7.507 -18.266 18.323 517 2HB GLU 70 2HB GLU 70 6.826 -19.550 19.322 518 1HG GLU 70 1HG GLU 70 9.011 -20.177 19.539 519 2HG GLU 70 2HG GLU 70 8.729 -20.945 17.976 520 H SER 71 H SER 71 6.112 -21.763 15.571 521 HA SER 71 HA SER 71 5.617 -23.793 17.688 522 1HB SER 71 1HB SER 71 3.380 -24.140 17.052 523 2HB SER 71 2HB SER 71 3.533 -22.389 16.940 524 HG SER 71 HG SER 71 2.652 -23.050 15.034 525 H ASP 72 H ASP 72 5.693 -23.088 14.185 526 HA ASP 72 HA ASP 72 6.343 -25.902 13.556 527 1HB ASP 72 1HB ASP 72 5.516 -23.413 12.175 528 2HB ASP 72 2HB ASP 72 6.567 -24.475 11.238 529 H LEU 73 H LEU 73 8.401 -26.609 12.949 530 HA LEU 73 HA LEU 73 10.546 -24.705 12.340 531 1HB LEU 73 1HB LEU 73 11.813 -25.038 14.327 532 2HB LEU 73 2HB LEU 73 10.165 -24.768 14.883 533 HG LEU 73 HG LEU 73 10.888 -26.630 16.133 534 1HD1 LEU 73 1HD1 LEU 73 8.701 -26.943 14.841 535 2HD1 LEU 73 2HD1 LEU 73 9.613 -27.990 13.755 536 3HD1 LEU 73 3HD1 LEU 73 9.462 -28.407 15.460 537 1HD2 LEU 73 1HD2 LEU 73 12.707 -26.979 14.034 538 2HD2 LEU 73 2HD2 LEU 73 12.591 -27.959 15.494 539 3HD2 LEU 73 3HD2 LEU 73 11.738 -28.452 14.031 540 H GLY 7 H GLY 7 11.640 7.388 0.368 541 1HA GLY 7 1HA GLY 7 14.021 5.723 0.965 542 2HA GLY 7 2HA GLY 7 13.417 6.113 -0.646 543 H LYS 8 H LYS 8 13.545 3.777 -1.091 544 HA LYS 8 HA LYS 8 11.047 2.392 -0.263 545 1HB LYS 8 1HB LYS 8 13.031 2.268 -2.505 546 2HB LYS 8 2HB LYS 8 12.073 0.829 -2.159 547 1HG LYS 8 1HG LYS 8 10.672 3.471 -2.335 548 2HG LYS 8 2HG LYS 8 11.165 2.675 -3.830 549 1HD LYS 8 1HD LYS 8 10.041 0.564 -2.863 550 2HD LYS 8 2HD LYS 8 9.282 1.655 -1.704 551 1HE LYS 8 1HE LYS 8 7.871 2.533 -3.274 552 2HE LYS 8 2HE LYS 8 9.126 2.537 -4.530 553 1HZ LYS 8 1HZ LYS 8 7.913 0.046 -3.470 554 2HZ LYS 8 2HZ LYS 8 7.308 0.847 -4.842 555 3HZ LYS 8 3HZ LYS 8 8.888 0.222 -4.848 556 H LYS 9 H LYS 9 14.534 1.615 -0.629 557 HA LYS 9 HA LYS 9 14.420 -0.908 0.718 558 1HB LYS 9 1HB LYS 9 16.247 0.595 -0.685 559 2HB LYS 9 2HB LYS 9 16.897 0.677 0.952 560 1HG LYS 9 1HG LYS 9 16.464 -1.900 0.989 561 2HG LYS 9 2HG LYS 9 16.427 -1.745 -0.768 562 1HD LYS 9 1HD LYS 9 18.662 -0.260 -0.011 563 2HD LYS 9 2HD LYS 9 18.712 -1.674 1.043 564 1HE LYS 9 1HE LYS 9 18.479 -3.152 -0.947 565 2HE LYS 9 2HE LYS 9 18.507 -1.715 -1.990 566 1HZ LYS 9 1HZ LYS 9 20.611 -2.395 -0.005 567 2HZ LYS 9 2HZ LYS 9 20.734 -2.704 -1.668 568 3HZ LYS 9 3HZ LYS 9 20.637 -1.103 -1.108 569 H ALA 10 H ALA 10 14.855 2.404 1.902 570 HA ALA 10 HA ALA 10 15.719 1.794 4.556 571 1HB ALA 10 1HB ALA 10 15.292 4.084 4.922 572 2HB ALA 10 2HB ALA 10 13.909 4.092 3.828 573 3HB ALA 10 3HB ALA 10 15.546 4.011 3.178 574 H GLU 11 H GLU 11 12.444 2.208 3.186 575 HA GLU 11 HA GLU 11 10.977 1.949 5.618 576 1HB GLU 11 1HB GLU 11 10.503 1.558 2.684 577 2HB GLU 11 2HB GLU 11 9.262 1.005 3.810 578 1HG GLU 11 1HG GLU 11 9.341 3.297 4.878 579 2HG GLU 11 2HG GLU 11 10.380 3.808 3.547 580 H ALA 12 H ALA 12 12.122 -0.505 3.296 581 HA ALA 12 HA ALA 12 10.870 -2.775 4.511 582 1HB ALA 12 1HB ALA 12 11.713 -3.057 2.341 583 2HB ALA 12 2HB ALA 12 13.233 -2.252 2.724 584 3HB ALA 12 3HB ALA 12 12.930 -3.887 3.310 585 H VAL 13 H VAL 13 14.129 -1.359 4.962 586 HA VAL 13 HA VAL 13 15.107 -3.268 6.838 587 HB VAL 13 HB VAL 13 15.640 -0.309 6.428 588 1HG1 VAL 13 1HG1 VAL 13 16.355 -1.672 8.663 589 2HG1 VAL 13 2HG1 VAL 13 17.709 -2.080 7.608 590 3HG1 VAL 13 3HG1 VAL 13 17.341 -0.391 7.957 591 1HG2 VAL 13 1HG2 VAL 13 16.994 -2.838 5.438 592 2HG2 VAL 13 2HG2 VAL 13 16.128 -1.655 4.460 593 3HG2 VAL 13 3HG2 VAL 13 17.653 -1.216 5.227 594 H ALA 14 H ALA 14 13.311 -0.217 7.335 595 HA ALA 14 HA ALA 14 13.377 -0.160 10.176 596 1HB ALA 14 1HB ALA 14 11.787 0.964 7.946 597 2HB ALA 14 2HB ALA 14 12.505 1.780 9.334 598 3HB ALA 14 3HB ALA 14 10.963 0.942 9.506 599 H THR 15 H THR 15 11.160 -1.823 7.938 600 HA THR 15 HA THR 15 9.305 -2.758 9.927 601 HB THR 15 HB THR 15 10.106 -3.928 7.241 602 HG1 THR 15 HG1 THR 15 8.579 -1.741 8.034 603 1HG2 THR 15 1HG2 THR 15 8.674 -5.334 8.813 604 2HG2 THR 15 2HG2 THR 15 7.439 -4.085 8.655 605 3HG2 THR 15 3HG2 THR 15 7.966 -4.990 7.235 606 H VAL 16 H VAL 16 12.287 -4.139 8.556 607 HA VAL 16 HA VAL 16 12.074 -6.703 9.873 608 HB VAL 16 HB VAL 16 14.383 -5.101 8.730 609 1HG1 VAL 16 1HG1 VAL 16 14.221 -7.851 9.916 610 2HG1 VAL 16 2HG1 VAL 16 15.303 -7.572 8.551 611 3HG1 VAL 16 3HG1 VAL 16 15.510 -6.656 10.044 612 1HG2 VAL 16 1HG2 VAL 16 12.344 -5.952 7.313 613 2HG2 VAL 16 2HG2 VAL 16 13.980 -6.230 6.716 614 3HG2 VAL 16 3HG2 VAL 16 13.098 -7.534 7.511 615 H VAL 17 H VAL 17 13.899 -3.719 10.642 616 HA VAL 17 HA VAL 17 15.174 -4.627 13.010 617 HB VAL 17 HB VAL 17 14.122 -1.910 12.161 618 1HG1 VAL 17 1HG1 VAL 17 15.625 -2.820 14.556 619 2HG1 VAL 17 2HG1 VAL 17 16.246 -1.375 13.757 620 3HG1 VAL 17 3HG1 VAL 17 14.584 -1.410 14.348 621 1HG2 VAL 17 1HG2 VAL 17 15.758 -2.960 10.625 622 2HG2 VAL 17 2HG2 VAL 17 16.453 -1.556 11.437 623 3HG2 VAL 17 3HG2 VAL 17 16.873 -3.182 11.974 624 H ALA 18 H ALA 18 12.016 -2.985 12.608 625 HA ALA 18 HA ALA 18 11.309 -2.913 15.375 626 1HB ALA 18 1HB ALA 18 9.895 -2.838 12.726 627 2HB ALA 18 2HB ALA 18 10.034 -1.573 13.947 628 3HB ALA 18 3HB ALA 18 8.937 -2.929 14.204 629 H ALA 19 H ALA 19 10.637 -5.341 12.839 630 HA ALA 19 HA ALA 19 9.062 -7.097 14.473 631 1HB ALA 19 1HB ALA 19 8.912 -7.429 12.164 632 2HB ALA 19 2HB ALA 19 10.651 -7.259 11.927 633 3HB ALA 19 3HB ALA 19 9.997 -8.741 12.625 634 H VAL 20 H VAL 20 12.551 -7.097 13.668 635 HA VAL 20 HA VAL 20 13.280 -9.447 15.091 636 HB VAL 20 HB VAL 20 14.833 -6.873 14.662 637 1HG1 VAL 20 1HG1 VAL 20 15.585 -9.709 15.345 638 2HG1 VAL 20 2HG1 VAL 20 16.717 -8.669 14.481 639 3HG1 VAL 20 3HG1 VAL 20 16.144 -8.209 16.084 640 1HG2 VAL 20 1HG2 VAL 20 13.615 -8.331 12.711 641 2HG2 VAL 20 2HG2 VAL 20 15.129 -7.461 12.471 642 3HG2 VAL 20 3HG2 VAL 20 15.151 -9.187 12.835 643 H ASP 21 H ASP 21 13.181 -6.040 16.181 644 HA ASP 21 HA ASP 21 14.140 -6.460 18.830 645 1HB ASP 21 1HB ASP 21 13.766 -4.308 17.515 646 2HB ASP 21 2HB ASP 21 12.057 -4.458 17.926 647 H GLN 22 H GLN 22 10.918 -6.835 17.419 648 HA GLN 22 HA GLN 22 9.439 -7.063 19.874 649 1HB GLN 22 1HB GLN 22 8.810 -6.778 17.308 650 2HB GLN 22 2HB GLN 22 8.708 -8.538 17.367 651 1HG GLN 22 1HG GLN 22 6.523 -7.850 17.914 652 2HG GLN 22 2HG GLN 22 7.255 -8.168 19.487 653 2HE2 GLN 22 2HE2 GLN 22 5.206 -6.032 18.222 654 1HE2 GLN 22 1HE2 GLN 22 5.703 -4.598 18.982 655 H ALA 23 H ALA 23 11.026 -9.484 17.787 656 HA ALA 23 HA ALA 23 10.108 -11.804 19.200 657 1HB ALA 23 1HB ALA 23 11.338 -12.846 17.585 658 2HB ALA 23 2HB ALA 23 11.484 -11.225 16.906 659 3HB ALA 23 3HB ALA 23 12.771 -11.876 17.921 660 H ARG 24 H ARG 24 13.102 -9.861 19.533 661 HA ARG 24 HA ARG 24 14.253 -11.557 21.564 662 1HB ARG 24 1HB ARG 24 15.831 -9.686 21.801 663 2HB ARG 24 2HB ARG 24 15.511 -10.009 20.099 664 1HG ARG 24 1HG ARG 24 14.416 -8.025 19.790 665 2HG ARG 24 2HG ARG 24 13.727 -8.029 21.411 666 1HD ARG 24 1HD ARG 24 15.345 -6.244 21.381 667 2HD ARG 24 2HD ARG 24 16.107 -7.580 22.266 668 HE ARG 24 HE ARG 24 16.552 -7.624 19.362 669 1HH1 ARG 24 1HH1 ARG 24 17.647 -6.615 22.486 670 2HH1 ARG 24 2HH1 ARG 24 19.303 -6.486 22.000 671 1HH2 ARG 24 1HH2 ARG 24 18.709 -7.452 18.726 672 2HH2 ARG 24 2HH2 ARG 24 19.903 -6.955 19.878 673 H VAL 25 H VAL 25 12.051 -8.787 21.688 674 HA VAL 25 HA VAL 25 12.320 -8.248 24.501 675 HB VAL 25 HB VAL 25 10.044 -7.833 22.538 676 1HG1 VAL 25 1HG1 VAL 25 9.366 -7.697 24.943 677 2HG1 VAL 25 2HG1 VAL 25 10.593 -6.453 25.184 678 3HG1 VAL 25 3HG1 VAL 25 9.230 -6.152 24.105 679 1HG2 VAL 25 1HG2 VAL 25 12.573 -6.774 22.454 680 2HG2 VAL 25 2HG2 VAL 25 11.140 -5.968 21.816 681 3HG2 VAL 25 3HG2 VAL 25 11.726 -5.573 23.431 682 H ARG 26 H ARG 26 10.582 -10.646 22.681 683 HA ARG 26 HA ARG 26 9.107 -11.517 25.133 684 1HB ARG 26 1HB ARG 26 8.462 -11.202 22.377 685 2HB ARG 26 2HB ARG 26 8.410 -12.931 22.724 686 1HG ARG 26 1HG ARG 26 6.302 -12.457 23.458 687 2HG ARG 26 2HG ARG 26 7.144 -11.954 24.924 688 1HD ARG 26 1HD ARG 26 7.321 -9.627 23.859 689 2HD ARG 26 2HD ARG 26 6.140 -10.202 22.665 690 HE ARG 26 HE ARG 26 5.589 -9.666 25.489 691 1HH1 ARG 26 1HH1 ARG 26 4.748 -11.450 22.652 692 2HH1 ARG 26 2HH1 ARG 26 3.109 -11.710 23.148 693 1HH2 ARG 26 1HH2 ARG 26 3.455 -10.001 26.143 694 2HH2 ARG 26 2HH2 ARG 26 2.379 -10.892 25.119 695 H GLU 27 H GLU 27 12.033 -12.016 24.173 696 HA GLU 27 HA GLU 27 11.977 -15.000 24.046 697 1HB GLU 27 1HB GLU 27 13.281 -13.135 22.556 698 2HB GLU 27 2HB GLU 27 14.497 -13.447 23.795 699 1HG GLU 27 1HG GLU 27 14.709 -15.701 23.211 700 2HG GLU 27 2HG GLU 27 13.118 -15.755 22.451 701 HA PRO 28 HA PRO 28 13.253 -14.809 28.289 702 1HB PRO 28 1HB PRO 28 13.564 -17.544 28.628 703 2HB PRO 28 2HB PRO 28 12.019 -16.685 28.773 704 1HG PRO 28 1HG PRO 28 13.100 -18.269 26.508 705 2HG PRO 28 2HG PRO 28 11.436 -18.122 27.094 706 1HD PRO 28 1HD PRO 28 12.324 -16.852 24.879 707 2HD PRO 28 2HD PRO 28 11.053 -16.185 25.926 708 H ARG 29 H ARG 29 15.311 -13.909 27.046 709 HA ARG 29 HA ARG 29 17.529 -15.496 26.349 710 1HB ARG 29 1HB ARG 29 16.939 -12.854 26.500 711 2HB ARG 29 2HB ARG 29 18.009 -13.000 27.895 712 1HG ARG 29 1HG ARG 29 18.914 -14.348 25.407 713 2HG ARG 29 2HG ARG 29 18.923 -12.585 25.382 714 1HD ARG 29 1HD ARG 29 20.283 -12.543 27.440 715 2HD ARG 29 2HD ARG 29 20.267 -14.317 27.489 716 HE ARG 29 HE ARG 29 21.140 -13.376 24.902 717 1HH1 ARG 29 1HH1 ARG 29 22.084 -13.841 28.192 718 2HH1 ARG 29 2HH1 ARG 29 23.769 -13.994 27.822 719 1HH2 ARG 29 1HH2 ARG 29 23.335 -13.574 24.410 720 2HH2 ARG 29 2HH2 ARG 29 24.477 -13.843 25.684 No H/Q in entry = 720 Start of MODEL 5 1 H MET 1 H MET 1 0.912 -10.367 -6.224 2 HA MET 1 HA MET 1 -0.945 -8.090 -6.829 3 1HB MET 1 1HB MET 1 -2.649 -9.524 -5.762 4 2HB MET 1 2HB MET 1 -1.857 -10.382 -7.085 5 1HG MET 1 1HG MET 1 -0.280 -10.869 -4.794 6 2HG MET 1 2HG MET 1 -1.955 -11.072 -4.281 7 1HE MET 1 1HE MET 1 -3.647 -12.079 -6.336 8 2HE MET 1 2HE MET 1 -3.411 -13.824 -6.358 9 3HE MET 1 3HE MET 1 -3.433 -12.951 -4.820 10 H ALA 2 H ALA 2 -2.186 -7.505 -4.657 11 HA ALA 2 HA ALA 2 -0.091 -6.862 -2.653 12 1HB ALA 2 1HB ALA 2 -2.375 -5.606 -3.801 13 2HB ALA 2 2HB ALA 2 -1.266 -4.933 -2.605 14 3HB ALA 2 3HB ALA 2 -2.706 -5.806 -2.079 15 H ASP 3 H ASP 3 -1.081 -6.846 -0.285 16 HA ASP 3 HA ASP 3 -2.978 -9.025 0.276 17 1HB ASP 3 1HB ASP 3 -0.017 -9.280 0.388 18 2HB ASP 3 2HB ASP 3 -0.905 -9.963 1.750 19 H THR 4 H THR 4 -0.540 -6.752 1.528 20 HA THR 4 HA THR 4 -0.487 -5.519 3.549 21 HB THR 4 HB THR 4 -3.479 -5.657 3.537 22 HG1 THR 4 HG1 THR 4 -3.399 -4.218 1.705 23 1HG2 THR 4 1HG2 THR 4 -1.356 -3.534 3.840 24 2HG2 THR 4 2HG2 THR 4 -3.056 -3.122 3.614 25 3HG2 THR 4 3HG2 THR 4 -2.554 -4.058 5.022 26 H ASP 5 H ASP 5 0.296 -7.008 5.099 27 HA ASP 5 HA ASP 5 -1.662 -7.992 7.048 28 1HB ASP 5 1HB ASP 5 -1.083 -9.581 4.850 29 2HB ASP 5 2HB ASP 5 0.009 -10.208 6.086 30 H THR 6 H THR 6 -0.651 -8.370 9.053 31 HA THR 6 HA THR 6 1.739 -7.162 9.770 32 HB THR 6 HB THR 6 0.905 -9.802 10.964 33 HG1 THR 6 HG1 THR 6 -0.966 -9.016 11.527 34 1HG2 THR 6 1HG2 THR 6 2.634 -7.750 11.732 35 2HG2 THR 6 2HG2 THR 6 1.184 -7.482 12.700 36 3HG2 THR 6 3HG2 THR 6 2.016 -9.036 12.768 37 H ALA 7 H ALA 7 1.480 -10.709 9.293 38 HA ALA 7 HA ALA 7 4.319 -11.135 9.159 39 1HB ALA 7 1HB ALA 7 2.023 -12.639 9.370 40 2HB ALA 7 2HB ALA 7 3.628 -13.311 9.084 41 3HB ALA 7 3HB ALA 7 2.544 -13.010 7.726 42 H GLU 8 H GLU 8 1.808 -10.827 6.645 43 HA GLU 8 HA GLU 8 3.380 -11.265 4.342 44 1HB GLU 8 1HB GLU 8 0.889 -10.971 4.524 45 2HB GLU 8 2HB GLU 8 1.153 -9.242 4.748 46 1HG GLU 8 1HG GLU 8 0.783 -9.377 2.443 47 2HG GLU 8 2HG GLU 8 2.543 -9.438 2.534 48 H GLN 9 H GLN 9 3.018 -8.357 6.343 49 HA GLN 9 HA GLN 9 4.326 -6.486 4.638 50 1HB GLN 9 1HB GLN 9 2.983 -6.105 6.758 51 2HB GLN 9 2HB GLN 9 4.403 -6.623 7.666 52 1HG GLN 9 1HG GLN 9 4.493 -4.225 7.555 53 2HG GLN 9 2HG GLN 9 5.713 -4.832 6.435 54 2HE2 GLN 9 2HE2 GLN 9 5.623 -3.928 4.376 55 1HE2 GLN 9 1HE2 GLN 9 4.247 -3.215 3.683 56 H VAL 10 H VAL 10 5.660 -8.664 7.149 57 HA VAL 10 HA VAL 10 8.366 -7.778 7.025 58 HB VAL 10 HB VAL 10 7.031 -10.425 7.645 59 1HG1 VAL 10 1HG1 VAL 10 9.908 -9.700 7.453 60 2HG1 VAL 10 2HG1 VAL 10 9.427 -10.606 8.888 61 3HG1 VAL 10 3HG1 VAL 10 9.129 -11.274 7.282 62 1HG2 VAL 10 1HG2 VAL 10 8.205 -8.176 9.307 63 2HG2 VAL 10 2HG2 VAL 10 6.512 -8.663 9.220 64 3HG2 VAL 10 3HG2 VAL 10 7.697 -9.725 9.981 65 H ILE 11 H ILE 11 6.758 -10.461 5.278 66 HA ILE 11 HA ILE 11 8.949 -11.333 3.725 67 HB ILE 11 HB ILE 11 5.966 -11.172 3.198 68 1HG1 ILE 11 1HG1 ILE 11 7.802 -13.418 4.099 69 2HG1 ILE 11 2HG1 ILE 11 6.657 -12.549 5.121 70 1HG2 ILE 11 1HG2 ILE 11 7.253 -11.365 1.070 71 2HG2 ILE 11 2HG2 ILE 11 8.056 -12.796 1.714 72 3HG2 ILE 11 3HG2 ILE 11 6.317 -12.817 1.421 73 1HD1 ILE 11 1HD1 ILE 11 5.786 -14.006 2.621 74 2HD1 ILE 11 2HD1 ILE 11 5.867 -14.805 4.191 75 3HD1 ILE 11 3HD1 ILE 11 4.781 -13.435 3.953 76 H ALA 12 H ALA 12 6.477 -8.861 2.921 77 HA ALA 12 HA ALA 12 7.511 -8.080 0.394 78 1HB ALA 12 1HB ALA 12 5.336 -7.377 1.245 79 2HB ALA 12 2HB ALA 12 6.097 -6.544 2.599 80 3HB ALA 12 3HB ALA 12 6.307 -5.931 0.959 81 H SER 13 H SER 13 8.272 -6.915 3.678 82 HA SER 13 HA SER 13 10.194 -4.924 2.877 83 1HB SER 13 1HB SER 13 9.498 -6.463 5.370 84 2HB SER 13 2HB SER 13 10.920 -5.426 5.358 85 HG SER 13 HG SER 13 8.271 -4.782 5.437 86 H PHE 14 H PHE 14 10.441 -8.371 3.745 87 HA PHE 14 HA PHE 14 13.327 -8.516 3.662 88 1HB PHE 14 1HB PHE 14 10.972 -10.289 3.825 89 2HB PHE 14 2HB PHE 14 12.376 -11.029 3.055 90 HD1 PHE 14 HD1 PHE 14 10.823 -10.712 6.107 91 HD2 PHE 14 HD2 PHE 14 14.699 -10.193 4.329 92 HE1 PHE 14 HE1 PHE 14 11.883 -11.011 8.330 93 HE2 PHE 14 HE2 PHE 14 15.758 -10.492 6.551 94 HZ PHE 14 HZ PHE 14 14.350 -10.901 8.551 95 H ARG 15 H ARG 15 10.764 -9.083 1.253 96 HA ARG 15 HA ARG 15 12.328 -10.074 -0.885 97 1HB ARG 15 1HB ARG 15 9.830 -9.875 -0.722 98 2HB ARG 15 2HB ARG 15 9.990 -8.137 -0.979 99 1HG ARG 15 1HG ARG 15 9.707 -8.742 -3.171 100 2HG ARG 15 2HG ARG 15 11.445 -9.029 -3.071 101 1HD ARG 15 1HD ARG 15 11.154 -11.375 -2.776 102 2HD ARG 15 2HD ARG 15 9.427 -11.187 -2.409 103 HE ARG 15 HE ARG 15 10.136 -10.108 -5.021 104 1HH1 ARG 15 1HH1 ARG 15 9.299 -12.920 -3.196 105 2HH1 ARG 15 2HH1 ARG 15 8.683 -13.783 -4.565 106 1HH2 ARG 15 1HH2 ARG 15 9.340 -11.227 -6.814 107 2HH2 ARG 15 2HH2 ARG 15 8.710 -12.827 -6.612 108 H ILE 16 H ILE 16 11.512 -6.686 -0.075 109 HA ILE 16 HA ILE 16 12.961 -5.409 -2.153 110 HB ILE 16 HB ILE 16 12.199 -4.685 0.683 111 1HG1 ILE 16 1HG1 ILE 16 11.196 -3.770 -2.033 112 2HG1 ILE 16 2HG1 ILE 16 10.400 -4.963 -1.005 113 1HG2 ILE 16 1HG2 ILE 16 13.473 -2.913 -1.423 114 2HG2 ILE 16 2HG2 ILE 16 12.768 -2.340 0.087 115 3HG2 ILE 16 3HG2 ILE 16 14.193 -3.377 0.118 116 1HD1 ILE 16 1HD1 ILE 16 10.368 -3.169 0.815 117 2HD1 ILE 16 2HD1 ILE 16 10.826 -2.023 -0.444 118 3HD1 ILE 16 3HD1 ILE 16 9.296 -2.893 -0.559 119 H LEU 17 H LEU 17 14.004 -6.426 1.104 120 HA LEU 17 HA LEU 17 16.666 -5.367 0.967 121 1HB LEU 17 1HB LEU 17 15.052 -7.239 2.589 122 2HB LEU 17 2HB LEU 17 16.790 -7.542 2.636 123 HG LEU 17 HG LEU 17 15.951 -5.928 4.398 124 1HD1 LEU 17 1HD1 LEU 17 18.063 -5.278 2.366 125 2HD1 LEU 17 2HD1 LEU 17 17.726 -4.124 3.656 126 3HD1 LEU 17 3HD1 LEU 17 18.250 -5.761 4.051 127 1HD2 LEU 17 1HD2 LEU 17 14.513 -4.852 2.331 128 2HD2 LEU 17 2HD2 LEU 17 14.876 -3.997 3.830 129 3HD2 LEU 17 3HD2 LEU 17 15.884 -3.745 2.404 130 H ALA 18 H ALA 18 15.308 -8.558 0.124 131 HA ALA 18 HA ALA 18 17.897 -9.657 -0.675 132 1HB ALA 18 1HB ALA 18 15.338 -10.838 -1.618 133 2HB ALA 18 2HB ALA 18 16.687 -11.608 -0.784 134 3HB ALA 18 3HB ALA 18 15.509 -10.665 0.129 135 H SER 19 H SER 19 15.954 -7.360 -2.079 136 HA SER 19 HA SER 19 15.996 -6.416 -4.251 137 1HB SER 19 1HB SER 19 18.410 -7.650 -3.873 138 2HB SER 19 2HB SER 19 17.820 -8.495 -5.302 139 HG SER 19 HG SER 19 17.263 -6.135 -5.910 140 H ASP 20 H ASP 20 13.796 -7.841 -3.895 141 HA ASP 20 HA ASP 20 12.130 -9.078 -5.030 142 1HB ASP 20 1HB ASP 20 13.281 -7.536 -6.811 143 2HB ASP 20 2HB ASP 20 13.979 -9.043 -7.405 144 H LYS 21 H LYS 21 13.717 -10.696 -3.472 145 HA LYS 21 HA LYS 21 14.054 -13.121 -5.196 146 1HB LYS 21 1HB LYS 21 15.891 -11.922 -3.109 147 2HB LYS 21 2HB LYS 21 16.043 -13.596 -3.645 148 1HG LYS 21 1HG LYS 21 15.864 -11.493 -5.756 149 2HG LYS 21 2HG LYS 21 17.372 -11.609 -4.849 150 1HD LYS 21 1HD LYS 21 17.655 -13.921 -5.463 151 2HD LYS 21 2HD LYS 21 16.039 -13.986 -6.166 152 1HE LYS 21 1HE LYS 21 16.657 -12.650 -8.018 153 2HE LYS 21 2HE LYS 21 18.107 -12.036 -7.197 154 1HZ LYS 21 1HZ LYS 21 18.968 -14.317 -7.147 155 2HZ LYS 21 2HZ LYS 21 17.614 -14.849 -8.027 156 3HZ LYS 21 3HZ LYS 21 18.725 -13.776 -8.735 157 HA PRO 22 HA PRO 22 11.521 -14.833 -2.037 158 1HB PRO 22 1HB PRO 22 12.081 -17.520 -2.553 159 2HB PRO 22 2HB PRO 22 10.850 -16.555 -3.389 160 1HG PRO 22 1HG PRO 22 13.586 -17.289 -4.257 161 2HG PRO 22 2HG PRO 22 12.111 -17.079 -5.213 162 1HD PRO 22 1HD PRO 22 14.088 -15.244 -5.171 163 2HD PRO 22 2HD PRO 22 12.378 -14.804 -5.372 164 H TYR 23 H TYR 23 14.861 -14.893 -2.119 165 HA TYR 23 HA TYR 23 14.980 -15.931 0.675 166 1HB TYR 23 1HB TYR 23 16.945 -17.306 0.027 167 2HB TYR 23 2HB TYR 23 15.498 -17.792 -0.856 168 HD1 TYR 23 HD1 TYR 23 18.821 -16.296 -1.096 169 HD2 TYR 23 HD2 TYR 23 15.184 -17.111 -3.230 170 HE1 TYR 23 HE1 TYR 23 19.982 -15.853 -3.243 171 HE2 TYR 23 HE2 TYR 23 16.345 -16.669 -5.377 172 HH TYR 23 HH TYR 23 19.801 -15.781 -5.447 173 H ILE 24 H ILE 24 17.083 -15.291 1.721 174 HA ILE 24 HA ILE 24 18.303 -12.884 0.419 175 HB ILE 24 HB ILE 24 16.529 -12.888 2.513 176 1HG1 ILE 24 1HG1 ILE 24 17.265 -10.944 1.192 177 2HG1 ILE 24 2HG1 ILE 24 17.309 -10.584 2.918 178 1HG2 ILE 24 1HG2 ILE 24 18.319 -14.047 3.912 179 2HG2 ILE 24 2HG2 ILE 24 19.245 -12.550 3.801 180 3HG2 ILE 24 3HG2 ILE 24 17.667 -12.554 4.588 181 1HD1 ILE 24 1HD1 ILE 24 19.821 -11.614 2.497 182 2HD1 ILE 24 2HD1 ILE 24 19.520 -10.764 0.982 183 3HD1 ILE 24 3HD1 ILE 24 19.434 -9.894 2.513 184 H LEU 25 H LEU 25 20.548 -12.577 0.879 185 HA LEU 25 HA LEU 25 21.967 -15.039 1.713 186 1HB LEU 25 1HB LEU 25 22.573 -12.479 0.270 187 2HB LEU 25 2HB LEU 25 23.912 -13.393 0.966 188 HG LEU 25 HG LEU 25 22.202 -15.256 -0.344 189 1HD1 LEU 25 1HD1 LEU 25 21.749 -12.847 -1.524 190 2HD1 LEU 25 2HD1 LEU 25 23.156 -13.389 -2.438 191 3HD1 LEU 25 3HD1 LEU 25 21.699 -14.381 -2.392 192 1HD2 LEU 25 1HD2 LEU 25 24.667 -15.404 0.030 193 2HD2 LEU 25 2HD2 LEU 25 24.224 -15.696 -1.651 194 3HD2 LEU 25 3HD2 LEU 25 24.900 -14.138 -1.175 195 H ALA 26 H ALA 26 23.323 -15.127 3.533 196 HA ALA 26 HA ALA 26 22.737 -13.555 5.816 197 1HB ALA 26 1HB ALA 26 24.912 -15.413 4.920 198 2HB ALA 26 2HB ALA 26 23.758 -15.603 6.239 199 3HB ALA 26 3HB ALA 26 25.139 -14.523 6.425 200 H GLU 27 H GLU 27 25.465 -13.285 3.516 201 HA GLU 27 HA GLU 27 26.837 -11.136 4.757 202 1HB GLU 27 1HB GLU 27 26.485 -11.852 1.829 203 2HB GLU 27 2HB GLU 27 27.792 -10.878 2.494 204 1HG GLU 27 1HG GLU 27 27.779 -13.195 4.063 205 2HG GLU 27 2HG GLU 27 27.521 -13.770 2.415 206 H GLU 28 H GLU 28 24.080 -11.150 2.513 207 HA GLU 28 HA GLU 28 24.033 -8.334 1.967 208 1HB GLU 28 1HB GLU 28 22.822 -10.423 0.924 209 2HB GLU 28 2HB GLU 28 21.579 -10.067 2.123 210 1HG GLU 28 1HG GLU 28 20.986 -8.078 1.124 211 2HG GLU 28 2HG GLU 28 22.613 -7.782 0.509 212 H LEU 29 H LEU 29 22.397 -10.308 4.455 213 HA LEU 29 HA LEU 29 20.875 -8.184 5.634 214 1HB LEU 29 1HB LEU 29 21.999 -10.814 6.637 215 2HB LEU 29 2HB LEU 29 20.906 -9.817 7.600 216 HG LEU 29 HG LEU 29 20.338 -11.069 4.900 217 1HD1 LEU 29 1HD1 LEU 29 20.026 -12.022 7.510 218 2HD1 LEU 29 2HD1 LEU 29 18.420 -11.446 7.061 219 3HD1 LEU 29 3HD1 LEU 29 19.234 -12.655 6.066 220 1HD2 LEU 29 1HD2 LEU 29 18.866 -8.968 6.498 221 2HD2 LEU 29 2HD2 LEU 29 19.306 -8.933 4.790 222 3HD2 LEU 29 3HD2 LEU 29 18.025 -10.009 5.348 223 H ARG 30 H ARG 30 24.177 -9.359 6.173 224 HA ARG 30 HA ARG 30 24.731 -7.809 8.540 225 1HB ARG 30 1HB ARG 30 25.960 -9.717 6.863 226 2HB ARG 30 2HB ARG 30 27.019 -8.308 6.827 227 1HG ARG 30 1HG ARG 30 26.788 -8.280 9.389 228 2HG ARG 30 2HG ARG 30 26.120 -9.905 9.226 229 1HD ARG 30 1HD ARG 30 28.859 -8.990 8.270 230 2HD ARG 30 2HD ARG 30 28.526 -10.103 9.611 231 HE ARG 30 HE ARG 30 28.340 -10.758 6.763 232 1HH1 ARG 30 1HH1 ARG 30 27.266 -11.427 9.979 233 2HH1 ARG 30 2HH1 ARG 30 26.832 -13.066 9.629 234 1HH2 ARG 30 1HH2 ARG 30 27.780 -12.892 6.298 235 2HH2 ARG 30 2HH2 ARG 30 27.126 -13.897 7.548 236 H ARG 31 H ARG 31 25.025 -7.163 5.069 237 HA ARG 31 HA ARG 31 26.314 -4.541 5.534 238 1HB ARG 31 1HB ARG 31 26.542 -6.440 3.632 239 2HB ARG 31 2HB ARG 31 25.309 -5.433 2.875 240 1HG ARG 31 1HG ARG 31 26.779 -3.446 3.199 241 2HG ARG 31 2HG ARG 31 28.028 -4.510 3.850 242 1HD ARG 31 1HD ARG 31 27.823 -5.840 1.655 243 2HD ARG 31 2HD ARG 31 26.927 -4.445 1.030 244 HE ARG 31 HE ARG 31 29.786 -4.476 1.769 245 1HH1 ARG 31 1HH1 ARG 31 26.938 -2.635 1.054 246 2HH1 ARG 31 2HH1 ARG 31 27.824 -1.227 0.578 247 1HH2 ARG 31 1HH2 ARG 31 30.930 -2.646 1.152 248 2HH2 ARG 31 2HH2 ARG 31 30.075 -1.230 0.637 249 H GLU 32 H GLU 32 23.137 -5.862 4.794 250 HA GLU 32 HA GLU 32 22.057 -3.206 4.055 251 1HB GLU 32 1HB GLU 32 21.058 -6.051 4.156 252 2HB GLU 32 2HB GLU 32 19.948 -4.710 3.878 253 1HG GLU 32 1HG GLU 32 22.413 -4.674 2.235 254 2HG GLU 32 2HG GLU 32 21.288 -5.986 1.883 255 H LEU 33 H LEU 33 22.167 -5.328 6.859 256 HA LEU 33 HA LEU 33 20.305 -3.445 8.268 257 1HB LEU 33 1HB LEU 33 20.477 -6.384 8.017 258 2HB LEU 33 2HB LEU 33 20.191 -5.800 9.652 259 HG LEU 33 HG LEU 33 18.589 -4.467 7.556 260 1HD1 LEU 33 1HD1 LEU 33 18.462 -7.421 8.073 261 2HD1 LEU 33 2HD1 LEU 33 16.966 -6.537 7.775 262 3HD1 LEU 33 3HD1 LEU 33 18.244 -6.542 6.560 263 1HD2 LEU 33 1HD2 LEU 33 18.507 -5.068 10.385 264 2HD2 LEU 33 2HD2 LEU 33 17.544 -3.907 9.474 265 3HD2 LEU 33 3HD2 LEU 33 17.008 -5.582 9.614 266 HA PRO 34 HA PRO 34 23.419 -2.736 11.252 267 1HB PRO 34 1HB PRO 34 21.520 -3.410 13.436 268 2HB PRO 34 2HB PRO 34 22.402 -1.901 13.137 269 1HG PRO 34 1HG PRO 34 19.774 -2.131 12.681 270 2HG PRO 34 2HG PRO 34 20.825 -1.101 11.698 271 1HD PRO 34 1HD PRO 34 19.601 -3.719 11.039 272 2HD PRO 34 2HD PRO 34 20.014 -2.358 9.975 273 HA PRO 35 HA PRO 35 25.314 -6.596 12.098 274 1HB PRO 35 1HB PRO 35 26.143 -5.522 14.730 275 2HB PRO 35 2HB PRO 35 27.143 -6.128 13.398 276 1HG PRO 35 1HG PRO 35 26.978 -3.519 14.004 277 2HG PRO 35 2HG PRO 35 27.217 -4.105 12.350 278 1HD PRO 35 1HD PRO 35 24.774 -2.998 13.624 279 2HD PRO 35 2HD PRO 35 25.331 -2.883 11.941 280 H ASP 36 H ASP 36 23.409 -4.996 14.641 281 HA ASP 36 HA ASP 36 22.957 -7.315 16.272 282 1HB ASP 36 1HB ASP 36 22.401 -4.595 16.292 283 2HB ASP 36 2HB ASP 36 20.801 -5.330 16.166 284 H GLN 37 H GLN 37 20.953 -5.828 13.691 285 HA GLN 37 HA GLN 37 18.870 -7.823 13.824 286 1HB GLN 37 1HB GLN 37 19.701 -5.518 12.172 287 2HB GLN 37 2HB GLN 37 18.749 -6.729 11.312 288 1HG GLN 37 1HG GLN 37 17.310 -4.998 12.362 289 2HG GLN 37 2HG GLN 37 16.997 -6.603 13.023 290 2HE2 GLN 37 2HE2 GLN 37 19.503 -4.091 13.730 291 1HE2 GLN 37 1HE2 GLN 37 19.227 -4.085 15.405 292 H ALA 38 H ALA 38 21.709 -7.401 11.700 293 HA ALA 38 HA ALA 38 21.252 -9.537 9.906 294 1HB ALA 38 1HB ALA 38 23.524 -7.935 10.932 295 2HB ALA 38 2HB ALA 38 23.964 -9.468 10.181 296 3HB ALA 38 3HB ALA 38 23.047 -8.269 9.267 297 H GLN 39 H GLN 39 22.932 -9.576 13.069 298 HA GLN 39 HA GLN 39 23.695 -12.332 13.009 299 1HB GLN 39 1HB GLN 39 24.528 -10.516 14.531 300 2HB GLN 39 2HB GLN 39 22.982 -10.578 15.381 301 1HG GLN 39 1HG GLN 39 23.369 -12.968 15.896 302 2HG GLN 39 2HG GLN 39 24.929 -12.885 15.077 303 2HE2 GLN 39 2HE2 GLN 39 26.478 -11.146 16.002 304 1HE2 GLN 39 1HE2 GLN 39 26.444 -10.893 17.679 305 H TYR 40 H TYR 40 20.851 -10.746 14.509 306 HA TYR 40 HA TYR 40 19.635 -13.179 15.438 307 1HB TYR 40 1HB TYR 40 19.215 -10.759 16.127 308 2HB TYR 40 2HB TYR 40 18.275 -10.592 14.644 309 HD1 TYR 40 HD1 TYR 40 18.300 -11.823 18.044 310 HD2 TYR 40 HD2 TYR 40 16.301 -12.141 14.255 311 HE1 TYR 40 HE1 TYR 40 16.345 -12.861 19.163 312 HE2 TYR 40 HE2 TYR 40 14.346 -13.179 15.374 313 HH TYR 40 HH TYR 40 14.004 -14.538 17.585 314 H CYS 41 H CYS 41 19.022 -11.181 12.528 315 HA CYS 41 HA CYS 41 16.985 -12.854 11.413 316 1HB CYS 41 1HB CYS 41 19.013 -10.981 10.150 317 2HB CYS 41 2HB CYS 41 17.565 -11.584 9.342 318 HG CYS 41 HG CYS 41 17.435 -9.772 11.894 319 H ILE 42 H ILE 42 20.524 -12.771 10.896 320 HA ILE 42 HA ILE 42 20.654 -14.801 8.894 321 HB ILE 42 HB ILE 42 22.522 -13.751 11.027 322 1HG1 ILE 42 1HG1 ILE 42 22.672 -13.562 8.007 323 2HG1 ILE 42 2HG1 ILE 42 21.817 -12.377 8.993 324 1HG2 ILE 42 1HG2 ILE 42 23.002 -15.910 8.962 325 2HG2 ILE 42 2HG2 ILE 42 24.317 -14.968 9.664 326 3HG2 ILE 42 3HG2 ILE 42 23.309 -15.981 10.698 327 1HD1 ILE 42 1HD1 ILE 42 24.380 -12.807 10.176 328 2HD1 ILE 42 2HD1 ILE 42 24.619 -12.523 8.452 329 3HD1 ILE 42 3HD1 ILE 42 23.760 -11.335 9.429 330 H LYS 43 H LYS 43 20.181 -14.976 12.354 331 HA LYS 43 HA LYS 43 20.878 -17.828 12.538 332 1HB LYS 43 1HB LYS 43 21.215 -16.092 14.334 333 2HB LYS 43 2HB LYS 43 19.462 -15.991 14.494 334 1HG LYS 43 1HG LYS 43 19.619 -17.691 15.971 335 2HG LYS 43 2HG LYS 43 19.984 -18.727 14.591 336 1HD LYS 43 1HD LYS 43 22.173 -18.899 15.153 337 2HD LYS 43 2HD LYS 43 22.297 -17.182 15.537 338 1HE LYS 43 1HE LYS 43 22.119 -17.619 17.753 339 2HE LYS 43 2HE LYS 43 20.625 -18.541 17.490 340 1HZ LYS 43 1HZ LYS 43 21.957 -20.416 16.739 341 2HZ LYS 43 2HZ LYS 43 23.386 -19.540 17.015 342 3HZ LYS 43 3HZ LYS 43 22.389 -19.979 18.320 343 H ARG 44 H ARG 44 17.904 -15.846 12.576 344 HA ARG 44 HA ARG 44 16.082 -18.034 12.989 345 1HB ARG 44 1HB ARG 44 15.751 -15.323 11.659 346 2HB ARG 44 2HB ARG 44 14.428 -16.343 12.226 347 1HG ARG 44 1HG ARG 44 16.613 -15.675 14.156 348 2HG ARG 44 2HG ARG 44 15.430 -14.423 13.772 349 1HD ARG 44 1HD ARG 44 14.112 -15.407 15.348 350 2HD ARG 44 2HD ARG 44 13.868 -16.707 14.165 351 HE ARG 44 HE ARG 44 16.357 -17.200 15.398 352 1HH1 ARG 44 1HH1 ARG 44 13.015 -16.957 16.235 353 2HH1 ARG 44 2HH1 ARG 44 13.129 -18.087 17.543 354 1HH2 ARG 44 1HH2 ARG 44 16.515 -18.677 17.100 355 2HH2 ARG 44 2HH2 ARG 44 15.104 -19.062 18.029 356 H MET 45 H MET 45 16.577 -16.135 9.986 357 HA MET 45 HA MET 45 15.263 -17.559 8.086 358 1HB MET 45 1HB MET 45 17.320 -15.719 8.183 359 2HB MET 45 2HB MET 45 18.064 -17.074 7.333 360 1HG MET 45 1HG MET 45 16.656 -16.894 5.526 361 2HG MET 45 2HG MET 45 15.310 -16.321 6.508 362 1HE MET 45 1HE MET 45 15.254 -14.424 7.735 363 2HE MET 45 2HE MET 45 16.673 -13.413 7.994 364 3HE MET 45 3HE MET 45 15.392 -12.859 6.920 365 HA PRO 46 HA PRO 46 17.147 -21.600 8.904 366 1HB PRO 46 1HB PRO 46 15.139 -22.980 7.540 367 2HB PRO 46 2HB PRO 46 15.141 -22.642 9.281 368 1HG PRO 46 1HG PRO 46 13.698 -21.269 7.091 369 2HG PRO 46 2HG PRO 46 13.216 -21.538 8.772 370 1HD PRO 46 1HD PRO 46 14.070 -19.141 7.856 371 2HD PRO 46 2HD PRO 46 14.325 -19.683 9.528 372 H ALA 47 H ALA 47 17.017 -23.555 6.946 373 HA ALA 47 HA ALA 47 18.639 -22.368 4.809 374 1HB ALA 47 1HB ALA 47 17.941 -25.023 5.913 375 2HB ALA 47 2HB ALA 47 19.489 -24.432 5.310 376 3HB ALA 47 3HB ALA 47 18.263 -25.007 4.179 377 H TYR 48 H TYR 48 17.945 -21.963 2.723 378 HA TYR 48 HA TYR 48 15.060 -22.143 2.160 379 1HB TYR 48 1HB TYR 48 16.190 -20.138 1.523 380 2HB TYR 48 2HB TYR 48 17.508 -21.036 0.769 381 HD1 TYR 48 HD1 TYR 48 17.498 -20.941 -1.553 382 HD2 TYR 48 HD2 TYR 48 13.756 -21.061 0.552 383 HE1 TYR 48 HE1 TYR 48 16.281 -20.911 -3.714 384 HE2 TYR 48 HE2 TYR 48 12.539 -21.031 -1.608 385 HH TYR 48 HH TYR 48 12.887 -21.524 -3.919 386 H SER 49 H SER 49 17.744 -24.176 1.748 387 HA SER 49 HA SER 49 16.301 -26.184 0.312 388 1HB SER 49 1HB SER 49 17.214 -23.994 -1.235 389 2HB SER 49 2HB SER 49 18.272 -25.347 -1.627 390 HG SER 49 HG SER 49 16.649 -25.911 -2.850 391 H GLY 50 H GLY 50 17.998 -27.827 -0.688 392 1HA GLY 50 1HA GLY 50 19.513 -29.248 0.818 393 2HA GLY 50 2HA GLY 50 20.480 -27.782 0.981 394 HA PRO 51 HA PRO 51 21.568 -30.062 -2.949 395 1HB PRO 51 1HB PRO 51 19.554 -30.965 -4.630 396 2HB PRO 51 2HB PRO 51 20.281 -31.927 -3.329 397 1HG PRO 51 1HG PRO 51 17.716 -30.433 -3.370 398 2HG PRO 51 2HG PRO 51 18.116 -31.976 -2.599 399 1HD PRO 51 1HD PRO 51 17.894 -29.670 -1.211 400 2HD PRO 51 2HD PRO 51 19.013 -30.970 -0.741 401 H GLY 52 H GLY 52 19.316 -27.566 -2.891 402 1HA GLY 52 1HA GLY 52 18.542 -26.357 -4.995 403 2HA GLY 52 2HA GLY 52 20.167 -26.658 -5.613 404 H SER 53 H SER 53 18.958 -24.044 -5.235 405 HA SER 53 HA SER 53 19.561 -21.939 -4.393 406 1HB SER 53 1HB SER 53 18.505 -22.641 -2.391 407 2HB SER 53 2HB SER 53 19.769 -23.814 -2.036 408 HG SER 53 HG SER 53 20.558 -22.252 -0.871 409 H VAL 54 H VAL 54 21.484 -20.925 -3.002 410 HA VAL 54 HA VAL 54 24.009 -22.059 -4.138 411 HB VAL 54 HB VAL 54 24.792 -19.738 -4.045 412 1HG1 VAL 54 1HG1 VAL 54 22.776 -20.703 -5.677 413 2HG1 VAL 54 2HG1 VAL 54 22.107 -19.179 -5.091 414 3HG1 VAL 54 3HG1 VAL 54 23.658 -19.198 -5.931 415 1HG2 VAL 54 1HG2 VAL 54 23.355 -19.355 -1.886 416 2HG2 VAL 54 2HG2 VAL 54 23.613 -18.004 -2.991 417 3HG2 VAL 54 3HG2 VAL 54 22.089 -18.891 -3.023 418 HA PRO 55 HA PRO 55 25.670 -22.508 -0.119 419 1HB PRO 55 1HB PRO 55 28.142 -21.026 -0.716 420 2HB PRO 55 2HB PRO 55 27.919 -22.760 -0.420 421 1HG PRO 55 1HG PRO 55 28.515 -21.753 -2.848 422 2HG PRO 55 2HG PRO 55 27.566 -23.229 -2.616 423 1HD PRO 55 1HD PRO 55 26.655 -20.493 -3.355 424 2HD PRO 55 2HD PRO 55 26.035 -22.076 -3.874 425 H GLY 56 H GLY 56 23.950 -20.615 0.324 426 1HA GLY 56 1HA GLY 56 25.255 -18.105 1.176 427 2HA GLY 56 2HA GLY 56 24.564 -19.098 2.459 428 H ALA 57 H ALA 57 22.274 -20.046 1.064 429 HA ALA 57 HA ALA 57 20.765 -17.490 0.605 430 1HB ALA 57 1HB ALA 57 19.532 -19.867 -0.500 431 2HB ALA 57 2HB ALA 57 20.077 -18.415 -1.339 432 3HB ALA 57 3HB ALA 57 21.204 -19.739 -1.047 433 H LEU 58 H LEU 58 19.348 -17.123 2.262 434 HA LEU 58 HA LEU 58 18.146 -19.498 3.653 435 1HB LEU 58 1HB LEU 58 18.909 -16.753 4.705 436 2HB LEU 58 2HB LEU 58 18.172 -18.037 5.664 437 HG LEU 58 HG LEU 58 20.770 -18.411 4.162 438 1HD1 LEU 58 1HD1 LEU 58 20.224 -17.339 6.925 439 2HD1 LEU 58 2HD1 LEU 58 21.713 -18.219 6.580 440 3HD1 LEU 58 3HD1 LEU 58 21.346 -16.732 5.708 441 1HD2 LEU 58 1HD2 LEU 58 19.369 -19.906 6.399 442 2HD2 LEU 58 2HD2 LEU 58 19.626 -20.474 4.749 443 3HD2 LEU 58 3HD2 LEU 58 21.000 -20.271 5.836 444 H ASP 59 H ASP 59 15.919 -19.172 4.396 445 HA ASP 59 HA ASP 59 14.440 -17.215 2.687 446 1HB ASP 59 1HB ASP 59 13.749 -19.471 2.360 447 2HB ASP 59 2HB ASP 59 13.769 -19.808 4.090 448 H TYR 60 H TYR 60 14.063 -15.323 3.804 449 HA TYR 60 HA TYR 60 13.886 -15.163 6.698 450 1HB TYR 60 1HB TYR 60 13.175 -12.820 6.125 451 2HB TYR 60 2HB TYR 60 14.643 -13.312 5.278 452 HD1 TYR 60 HD1 TYR 60 14.742 -13.285 2.925 453 HD2 TYR 60 HD2 TYR 60 10.931 -13.115 4.899 454 HE1 TYR 60 HE1 TYR 60 13.633 -12.866 0.747 455 HE2 TYR 60 HE2 TYR 60 9.820 -12.697 2.721 456 HH TYR 60 HH TYR 60 11.666 -12.722 -0.316 457 H ALA 61 H ALA 61 11.626 -15.701 4.076 458 HA ALA 61 HA ALA 61 9.167 -14.966 5.269 459 1HB ALA 61 1HB ALA 61 8.452 -15.862 3.313 460 2HB ALA 61 2HB ALA 61 9.044 -17.457 3.770 461 3HB ALA 61 3HB ALA 61 10.127 -16.306 2.989 462 H ALA 62 H ALA 62 11.050 -17.989 5.550 463 HA ALA 62 HA ALA 62 9.175 -19.435 7.152 464 1HB ALA 62 1HB ALA 62 10.832 -20.856 6.503 465 2HB ALA 62 2HB ALA 62 11.997 -19.540 6.347 466 3HB ALA 62 3HB ALA 62 11.695 -20.270 7.924 467 H PHE 63 H PHE 63 11.719 -17.150 7.960 468 HA PHE 63 HA PHE 63 11.526 -17.448 10.837 469 1HB PHE 63 1HB PHE 63 13.538 -16.595 9.870 470 2HB PHE 63 2HB PHE 63 12.659 -15.392 8.927 471 HD1 PHE 63 HD1 PHE 63 13.814 -13.445 9.781 472 HD2 PHE 63 HD2 PHE 63 11.891 -16.206 12.452 473 HE1 PHE 63 HE1 PHE 63 14.054 -11.817 11.637 474 HE2 PHE 63 HE2 PHE 63 12.130 -14.578 14.307 475 HZ PHE 63 HZ PHE 63 13.213 -12.384 13.899 476 H SER 64 H SER 64 10.092 -15.228 8.454 477 HA SER 64 HA SER 64 8.857 -13.398 10.249 478 1HB SER 64 1HB SER 64 7.759 -12.672 8.305 479 2HB SER 64 2HB SER 64 9.170 -13.492 7.640 480 HG SER 64 HG SER 64 6.502 -14.406 7.859 481 H SER 65 H SER 65 7.560 -16.396 8.775 482 HA SER 65 HA SER 65 4.984 -16.266 10.033 483 1HB SER 65 1HB SER 65 6.280 -17.792 8.142 484 2HB SER 65 2HB SER 65 6.130 -18.927 9.482 485 HG SER 65 HG SER 65 3.861 -18.183 9.545 486 H ALA 66 H ALA 66 8.081 -17.685 11.039 487 HA ALA 66 HA ALA 66 6.988 -19.022 13.386 488 1HB ALA 66 1HB ALA 66 9.238 -19.661 13.715 489 2HB ALA 66 2HB ALA 66 9.856 -18.193 12.956 490 3HB ALA 66 3HB ALA 66 9.131 -19.459 11.966 491 H LEU 67 H LEU 67 8.463 -15.874 12.717 492 HA LEU 67 HA LEU 67 9.060 -14.998 15.332 493 1HB LEU 67 1HB LEU 67 8.992 -13.991 12.742 494 2HB LEU 67 2HB LEU 67 7.824 -12.984 13.598 495 HG LEU 67 HG LEU 67 10.577 -13.559 14.707 496 1HD1 LEU 67 1HD1 LEU 67 10.561 -12.394 12.413 497 2HD1 LEU 67 2HD1 LEU 67 9.775 -11.046 13.233 498 3HD1 LEU 67 3HD1 LEU 67 11.391 -11.553 13.723 499 1HD2 LEU 67 1HD2 LEU 67 8.391 -11.538 15.272 500 2HD2 LEU 67 2HD2 LEU 67 9.037 -12.760 16.368 501 3HD2 LEU 67 3HD2 LEU 67 10.029 -11.377 15.907 502 H TYR 68 H TYR 68 5.947 -15.018 13.604 503 HA TYR 68 HA TYR 68 4.585 -13.814 15.954 504 1HB TYR 68 1HB TYR 68 4.007 -14.357 13.069 505 2HB TYR 68 2HB TYR 68 2.637 -14.205 14.169 506 HD1 TYR 68 HD1 TYR 68 5.671 -12.480 12.886 507 HD2 TYR 68 HD2 TYR 68 1.999 -12.092 15.082 508 HE1 TYR 68 HE1 TYR 68 5.907 -10.011 12.845 509 HE2 TYR 68 HE2 TYR 68 2.236 -9.624 15.042 510 HH TYR 68 HH TYR 68 4.650 -8.013 14.731 511 H GLY 69 H GLY 69 4.747 -16.859 14.136 512 1HA GLY 69 1HA GLY 69 2.653 -18.103 15.771 513 2HA GLY 69 2HA GLY 69 4.287 -18.662 16.133 514 H GLU 70 H GLU 70 5.320 -20.023 14.645 515 HA GLU 70 HA GLU 70 3.644 -21.516 12.825 516 1HB GLU 70 1HB GLU 70 4.017 -19.238 11.706 517 2HB GLU 70 2HB GLU 70 5.706 -19.716 11.530 518 1HG GLU 70 1HG GLU 70 3.511 -21.552 10.597 519 2HG GLU 70 2HG GLU 70 4.050 -20.220 9.573 520 H SER 71 H SER 71 4.904 -23.233 11.736 521 HA SER 71 HA SER 71 7.743 -23.501 12.594 522 1HB SER 71 1HB SER 71 7.281 -25.637 13.648 523 2HB SER 71 2HB SER 71 6.169 -24.453 14.326 524 HG SER 71 HG SER 71 4.870 -26.091 13.762 525 H ASP 72 H ASP 72 8.251 -23.361 10.315 526 HA ASP 72 HA ASP 72 7.001 -25.000 8.300 527 1HB ASP 72 1HB ASP 72 8.350 -22.868 8.033 528 2HB ASP 72 2HB ASP 72 9.796 -23.826 8.348 529 H LEU 73 H LEU 73 7.593 -27.047 7.546 530 HA LEU 73 HA LEU 73 10.077 -28.365 8.154 531 1HB LEU 73 1HB LEU 73 8.540 -28.104 10.354 532 2HB LEU 73 2HB LEU 73 7.860 -29.600 9.716 533 HG LEU 73 HG LEU 73 9.657 -30.243 11.167 534 1HD1 LEU 73 1HD1 LEU 73 9.540 -31.401 8.956 535 2HD1 LEU 73 2HD1 LEU 73 10.724 -30.255 8.326 536 3HD1 LEU 73 3HD1 LEU 73 11.174 -31.367 9.620 537 1HD2 LEU 73 1HD2 LEU 73 10.734 -27.971 11.176 538 2HD2 LEU 73 2HD2 LEU 73 11.890 -29.293 11.012 539 3HD2 LEU 73 3HD2 LEU 73 11.430 -28.344 9.598 540 H GLY 7 H GLY 7 13.417 7.364 -0.709 541 1HA GLY 7 1HA GLY 7 15.226 5.127 -0.317 542 2HA GLY 7 2HA GLY 7 14.162 5.365 -1.706 543 H LYS 8 H LYS 8 12.896 3.570 -1.862 544 HA LYS 8 HA LYS 8 10.977 2.908 0.195 545 1HB LYS 8 1HB LYS 8 10.472 1.048 -1.411 546 2HB LYS 8 2HB LYS 8 10.555 2.625 -2.195 547 1HG LYS 8 1HG LYS 8 12.069 1.723 -3.603 548 2HG LYS 8 2HG LYS 8 13.189 1.698 -2.241 549 1HD LYS 8 1HD LYS 8 12.610 -0.548 -1.679 550 2HD LYS 8 2HD LYS 8 11.206 -0.527 -2.747 551 1HE LYS 8 1HE LYS 8 13.559 0.145 -4.276 552 2HE LYS 8 2HE LYS 8 13.827 -1.379 -3.407 553 1HZ LYS 8 1HZ LYS 8 11.187 -0.982 -4.569 554 2HZ LYS 8 2HZ LYS 8 12.452 -1.257 -5.667 555 3HZ LYS 8 3HZ LYS 8 12.116 -2.396 -4.453 556 H LYS 9 H LYS 9 14.231 1.874 -0.466 557 HA LYS 9 HA LYS 9 14.137 -0.729 0.764 558 1HB LYS 9 1HB LYS 9 15.939 0.886 -0.617 559 2HB LYS 9 2HB LYS 9 16.656 0.741 0.989 560 1HG LYS 9 1HG LYS 9 16.180 -1.784 0.780 561 2HG LYS 9 2HG LYS 9 15.928 -1.467 -0.938 562 1HD LYS 9 1HD LYS 9 18.429 -0.625 0.547 563 2HD LYS 9 2HD LYS 9 18.290 -2.156 -0.319 564 1HE LYS 9 1HE LYS 9 17.669 -0.837 -2.390 565 2HE LYS 9 2HE LYS 9 18.088 0.637 -1.492 566 1HZ LYS 9 1HZ LYS 9 20.253 -0.414 -0.974 567 2HZ LYS 9 2HZ LYS 9 19.853 -1.697 -2.014 568 3HZ LYS 9 3HZ LYS 9 20.038 -0.125 -2.631 569 H ALA 10 H ALA 10 14.628 2.544 2.026 570 HA ALA 10 HA ALA 10 15.579 1.832 4.634 571 1HB ALA 10 1HB ALA 10 15.142 4.126 5.113 572 2HB ALA 10 2HB ALA 10 13.831 4.199 3.937 573 3HB ALA 10 3HB ALA 10 15.504 4.089 3.387 574 H GLU 11 H GLU 11 12.286 2.346 3.355 575 HA GLU 11 HA GLU 11 10.882 2.046 5.832 576 1HB GLU 11 1HB GLU 11 10.185 1.542 2.925 577 2HB GLU 11 2HB GLU 11 8.990 1.485 4.222 578 1HG GLU 11 1HG GLU 11 9.607 3.812 4.854 579 2HG GLU 11 2HG GLU 11 10.718 3.865 3.485 580 H ALA 12 H ALA 12 11.881 -0.320 3.358 581 HA ALA 12 HA ALA 12 10.588 -2.602 4.539 582 1HB ALA 12 1HB ALA 12 11.997 -3.821 2.973 583 2HB ALA 12 2HB ALA 12 13.105 -2.455 2.851 584 3HB ALA 12 3HB ALA 12 11.473 -2.329 2.193 585 H VAL 13 H VAL 13 13.896 -1.288 4.821 586 HA VAL 13 HA VAL 13 14.955 -3.333 6.518 587 HB VAL 13 HB VAL 13 15.601 -0.374 6.282 588 1HG1 VAL 13 1HG1 VAL 13 16.843 -2.649 7.719 589 2HG1 VAL 13 2HG1 VAL 13 17.955 -1.650 6.783 590 3HG1 VAL 13 3HG1 VAL 13 16.956 -0.919 8.039 591 1HG2 VAL 13 1HG2 VAL 13 15.581 -2.033 4.211 592 2HG2 VAL 13 2HG2 VAL 13 16.905 -0.888 4.426 593 3HG2 VAL 13 3HG2 VAL 13 17.109 -2.572 4.906 594 H ALA 14 H ALA 14 13.392 -0.207 7.281 595 HA ALA 14 HA ALA 14 13.663 -0.318 10.114 596 1HB ALA 14 1HB ALA 14 12.879 1.552 8.505 597 2HB ALA 14 2HB ALA 14 11.288 0.800 8.615 598 3HB ALA 14 3HB ALA 14 12.062 1.440 10.064 599 H THR 15 H THR 15 11.115 -1.584 7.958 600 HA THR 15 HA THR 15 9.337 -2.524 9.990 601 HB THR 15 HB THR 15 9.922 -3.525 7.183 602 HG1 THR 15 HG1 THR 15 8.600 -1.979 6.546 603 1HG2 THR 15 1HG2 THR 15 8.427 -4.817 9.059 604 2HG2 THR 15 2HG2 THR 15 7.213 -3.758 8.342 605 3HG2 THR 15 3HG2 THR 15 8.105 -4.889 7.326 606 H VAL 16 H VAL 16 12.041 -4.126 8.290 607 HA VAL 16 HA VAL 16 11.734 -6.697 9.527 608 HB VAL 16 HB VAL 16 14.189 -5.272 8.448 609 1HG1 VAL 16 1HG1 VAL 16 13.554 -8.208 8.865 610 2HG1 VAL 16 2HG1 VAL 16 14.958 -7.605 7.987 611 3HG1 VAL 16 3HG1 VAL 16 14.785 -7.271 9.709 612 1HG2 VAL 16 1HG2 VAL 16 12.065 -5.494 6.972 613 2HG2 VAL 16 2HG2 VAL 16 13.591 -6.077 6.305 614 3HG2 VAL 16 3HG2 VAL 16 12.422 -7.222 6.967 615 H VAL 17 H VAL 17 13.781 -3.882 10.358 616 HA VAL 17 HA VAL 17 15.096 -5.016 12.616 617 HB VAL 17 HB VAL 17 14.248 -2.184 11.924 618 1HG1 VAL 17 1HG1 VAL 17 15.523 -3.281 14.301 619 2HG1 VAL 17 2HG1 VAL 17 16.572 -2.122 13.484 620 3HG1 VAL 17 3HG1 VAL 17 14.955 -1.639 13.998 621 1HG2 VAL 17 1HG2 VAL 17 16.027 -3.876 10.655 622 2HG2 VAL 17 2HG2 VAL 17 16.077 -2.115 10.581 623 3HG2 VAL 17 3HG2 VAL 17 17.075 -2.977 11.753 624 H ALA 18 H ALA 18 12.088 -3.084 12.424 625 HA ALA 18 HA ALA 18 11.461 -3.017 15.187 626 1HB ALA 18 1HB ALA 18 10.415 -1.965 12.987 627 2HB ALA 18 2HB ALA 18 9.352 -3.370 13.081 628 3HB ALA 18 3HB ALA 18 9.409 -2.217 14.415 629 H ALA 19 H ALA 19 10.643 -5.458 12.709 630 HA ALA 19 HA ALA 19 9.086 -7.146 14.447 631 1HB ALA 19 1HB ALA 19 9.006 -8.516 12.562 632 2HB ALA 19 2HB ALA 19 10.684 -8.187 12.130 633 3HB ALA 19 3HB ALA 19 9.439 -6.977 11.819 634 H VAL 20 H VAL 20 12.531 -7.117 13.528 635 HA VAL 20 HA VAL 20 13.283 -9.527 14.889 636 HB VAL 20 HB VAL 20 14.795 -6.988 14.190 637 1HG1 VAL 20 1HG1 VAL 20 15.655 -9.651 15.277 638 2HG1 VAL 20 2HG1 VAL 20 16.714 -8.801 14.150 639 3HG1 VAL 20 3HG1 VAL 20 16.252 -8.039 15.672 640 1HG2 VAL 20 1HG2 VAL 20 13.570 -8.665 12.466 641 2HG2 VAL 20 2HG2 VAL 20 15.101 -7.874 12.091 642 3HG2 VAL 20 3HG2 VAL 20 15.089 -9.537 12.678 643 H ASP 21 H ASP 21 13.423 -6.096 15.909 644 HA ASP 21 HA ASP 21 14.479 -6.592 18.530 645 1HB ASP 21 1HB ASP 21 14.444 -4.427 17.280 646 2HB ASP 21 2HB ASP 21 12.696 -4.351 17.517 647 H GLN 22 H GLN 22 11.186 -6.574 17.232 648 HA GLN 22 HA GLN 22 9.705 -6.480 19.653 649 1HB GLN 22 1HB GLN 22 9.003 -6.433 17.157 650 2HB GLN 22 2HB GLN 22 9.016 -8.194 17.262 651 1HG GLN 22 1HG GLN 22 6.785 -7.631 17.781 652 2HG GLN 22 2HG GLN 22 7.530 -7.873 19.362 653 2HE2 GLN 22 2HE2 GLN 22 5.659 -5.690 17.583 654 1HE2 GLN 22 1HE2 GLN 22 5.937 -4.300 18.517 655 H ALA 23 H ALA 23 10.945 -9.327 17.863 656 HA ALA 23 HA ALA 23 10.000 -11.321 19.663 657 1HB ALA 23 1HB ALA 23 11.060 -12.650 18.152 658 2HB ALA 23 2HB ALA 23 11.389 -11.154 17.278 659 3HB ALA 23 3HB ALA 23 12.598 -11.817 18.377 660 H ARG 24 H ARG 24 13.031 -9.443 19.640 661 HA ARG 24 HA ARG 24 14.294 -10.856 21.812 662 1HB ARG 24 1HB ARG 24 15.342 -9.355 20.066 663 2HB ARG 24 2HB ARG 24 14.648 -7.978 20.923 664 1HG ARG 24 1HG ARG 24 15.896 -9.485 22.923 665 2HG ARG 24 2HG ARG 24 17.023 -9.533 21.567 666 1HD ARG 24 1HD ARG 24 16.905 -7.053 21.395 667 2HD ARG 24 2HD ARG 24 15.826 -7.026 22.805 668 HE ARG 24 HE ARG 24 17.948 -8.528 23.701 669 1HH1 ARG 24 1HH1 ARG 24 17.636 -5.471 22.125 670 2HH1 ARG 24 2HH1 ARG 24 19.061 -4.807 22.853 671 1HH2 ARG 24 1HH2 ARG 24 19.810 -7.669 24.653 672 2HH2 ARG 24 2HH2 ARG 24 20.287 -6.047 24.279 673 H VAL 25 H VAL 25 12.050 -8.121 21.666 674 HA VAL 25 HA VAL 25 12.362 -7.239 24.375 675 HB VAL 25 HB VAL 25 11.094 -6.383 22.125 676 1HG1 VAL 25 1HG1 VAL 25 9.250 -8.081 22.561 677 2HG1 VAL 25 2HG1 VAL 25 8.840 -7.145 23.998 678 3HG1 VAL 25 3HG1 VAL 25 8.710 -6.410 22.401 679 1HG2 VAL 25 1HG2 VAL 25 10.531 -5.619 25.002 680 2HG2 VAL 25 2HG2 VAL 25 11.776 -4.944 23.950 681 3HG2 VAL 25 3HG2 VAL 25 10.073 -4.637 23.611 682 H ARG 26 H ARG 26 10.770 -9.980 23.003 683 HA ARG 26 HA ARG 26 8.959 -10.436 25.274 684 1HB ARG 26 1HB ARG 26 9.782 -11.977 22.799 685 2HB ARG 26 2HB ARG 26 8.612 -12.600 23.962 686 1HG ARG 26 1HG ARG 26 7.130 -10.733 23.579 687 2HG ARG 26 2HG ARG 26 8.339 -9.914 22.589 688 1HD ARG 26 1HD ARG 26 6.531 -11.125 21.264 689 2HD ARG 26 2HD ARG 26 8.186 -11.637 20.876 690 HE ARG 26 HE ARG 26 7.730 -13.723 21.898 691 1HH1 ARG 26 1HH1 ARG 26 5.396 -11.322 22.746 692 2HH1 ARG 26 2HH1 ARG 26 4.380 -12.429 23.604 693 1HH2 ARG 26 1HH2 ARG 26 6.410 -15.175 23.015 694 2HH2 ARG 26 2HH2 ARG 26 4.951 -14.607 23.756 695 H GLU 27 H GLU 27 11.977 -10.339 25.727 696 HA GLU 27 HA GLU 27 12.418 -13.143 26.674 697 1HB GLU 27 1HB GLU 27 13.967 -11.247 25.251 698 2HB GLU 27 2HB GLU 27 14.702 -11.380 26.850 699 1HG GLU 27 1HG GLU 27 13.896 -13.941 25.589 700 2HG GLU 27 2HG GLU 27 15.243 -13.099 24.823 701 HA PRO 28 HA PRO 28 11.773 -11.671 30.771 702 1HB PRO 28 1HB PRO 28 13.261 -13.588 32.110 703 2HB PRO 28 2HB PRO 28 11.589 -13.817 31.565 704 1HG PRO 28 1HG PRO 28 14.123 -14.753 30.342 705 2HG PRO 28 2HG PRO 28 12.536 -15.536 30.401 706 1HD PRO 28 1HD PRO 28 13.502 -14.313 28.183 707 2HD PRO 28 2HD PRO 28 11.769 -14.418 28.558 708 H ARG 29 H ARG 29 13.048 -9.730 30.582 709 HA ARG 29 HA ARG 29 15.826 -9.993 31.677 710 1HB ARG 29 1HB ARG 29 14.879 -9.032 29.110 711 2HB ARG 29 2HB ARG 29 15.721 -7.747 29.974 712 1HG ARG 29 1HG ARG 29 17.353 -9.913 30.443 713 2HG ARG 29 2HG ARG 29 16.790 -10.222 28.800 714 1HD ARG 29 1HD ARG 29 17.404 -7.786 28.278 715 2HD ARG 29 2HD ARG 29 18.268 -7.788 29.829 716 HE ARG 29 HE ARG 29 19.092 -9.222 27.430 717 1HH1 ARG 29 1HH1 ARG 29 19.051 -9.177 30.883 718 2HH1 ARG 29 2HH1 ARG 29 20.474 -10.149 31.041 719 1HH2 ARG 29 1HH2 ARG 29 20.953 -10.488 27.625 720 2HH2 ARG 29 2HH2 ARG 29 21.551 -10.888 29.201 No H/Q in entry = 720 Start of MODEL 6 1 H MET 1 H MET 1 -1.596 -0.577 -2.543 2 HA MET 1 HA MET 1 -2.594 -2.815 -2.583 3 1HB MET 1 1HB MET 1 -0.999 -1.791 -4.784 4 2HB MET 1 2HB MET 1 -1.062 -3.553 -4.826 5 1HG MET 1 1HG MET 1 -3.546 -3.431 -4.603 6 2HG MET 1 2HG MET 1 -3.437 -1.673 -4.695 7 1HE MET 1 1HE MET 1 -3.796 -4.861 -6.225 8 2HE MET 1 2HE MET 1 -3.391 -4.761 -7.937 9 3HE MET 1 3HE MET 1 -2.110 -4.943 -6.730 10 H ALA 2 H ALA 2 0.848 -2.613 -2.139 11 HA ALA 2 HA ALA 2 0.920 -5.545 -1.492 12 1HB ALA 2 1HB ALA 2 3.517 -4.776 -2.009 13 2HB ALA 2 2HB ALA 2 2.435 -5.511 -3.193 14 3HB ALA 2 3HB ALA 2 2.603 -3.757 -3.121 15 H ASP 3 H ASP 3 0.141 -3.698 0.481 16 HA ASP 3 HA ASP 3 2.392 -3.965 2.390 17 1HB ASP 3 1HB ASP 3 2.260 -1.545 2.938 18 2HB ASP 3 2HB ASP 3 2.723 -1.800 1.255 19 H THR 4 H THR 4 1.091 -5.313 3.702 20 HA THR 4 HA THR 4 -0.893 -3.974 5.374 21 HB THR 4 HB THR 4 -2.155 -4.419 3.288 22 HG1 THR 4 HG1 THR 4 -3.792 -5.718 4.294 23 1HG2 THR 4 1HG2 THR 4 -1.067 -7.177 3.765 24 2HG2 THR 4 2HG2 THR 4 -2.602 -6.977 2.920 25 3HG2 THR 4 3HG2 THR 4 -1.134 -6.252 2.265 26 H ASP 5 H ASP 5 -2.167 -6.076 6.519 27 HA ASP 5 HA ASP 5 -1.796 -7.741 8.162 28 1HB ASP 5 1HB ASP 5 -0.126 -8.629 5.791 29 2HB ASP 5 2HB ASP 5 -0.497 -9.670 7.165 30 H THR 6 H THR 6 0.325 -9.153 9.026 31 HA THR 6 HA THR 6 2.374 -7.063 9.683 32 HB THR 6 HB THR 6 2.620 -8.775 11.691 33 HG1 THR 6 HG1 THR 6 0.845 -9.981 12.026 34 1HG2 THR 6 1HG2 THR 6 0.984 -6.453 11.178 35 2HG2 THR 6 2HG2 THR 6 0.168 -7.526 12.316 36 3HG2 THR 6 3HG2 THR 6 1.790 -6.931 12.673 37 H ALA 7 H ALA 7 2.034 -10.626 9.384 38 HA ALA 7 HA ALA 7 4.845 -11.152 9.155 39 1HB ALA 7 1HB ALA 7 3.210 -12.849 9.765 40 2HB ALA 7 2HB ALA 7 3.977 -13.343 8.257 41 3HB ALA 7 3HB ALA 7 2.362 -12.635 8.234 42 H GLU 8 H GLU 8 2.286 -10.874 6.668 43 HA GLU 8 HA GLU 8 3.858 -11.287 4.362 44 1HB GLU 8 1HB GLU 8 1.262 -10.684 4.968 45 2HB GLU 8 2HB GLU 8 1.796 -9.164 4.252 46 1HG GLU 8 1HG GLU 8 1.062 -10.385 2.383 47 2HG GLU 8 2HG GLU 8 2.803 -10.672 2.378 48 H GLN 9 H GLN 9 3.411 -8.356 6.319 49 HA GLN 9 HA GLN 9 4.668 -6.482 4.575 50 1HB GLN 9 1HB GLN 9 3.726 -6.710 7.304 51 2HB GLN 9 2HB GLN 9 5.238 -5.804 7.260 52 1HG GLN 9 1HG GLN 9 4.002 -4.669 5.153 53 2HG GLN 9 2HG GLN 9 2.584 -5.117 6.104 54 2HE2 GLN 9 2HE2 GLN 9 4.470 -2.509 5.608 55 1HE2 GLN 9 1HE2 GLN 9 4.466 -1.817 7.158 56 H VAL 10 H VAL 10 6.053 -8.545 7.158 57 HA VAL 10 HA VAL 10 8.732 -7.604 7.032 58 HB VAL 10 HB VAL 10 7.530 -10.330 7.613 59 1HG1 VAL 10 1HG1 VAL 10 10.335 -9.329 7.659 60 2HG1 VAL 10 2HG1 VAL 10 9.820 -10.317 9.026 61 3HG1 VAL 10 3HG1 VAL 10 9.728 -10.963 7.388 62 1HG2 VAL 10 1HG2 VAL 10 8.329 -7.954 9.316 63 2HG2 VAL 10 2HG2 VAL 10 6.722 -8.663 9.147 64 3HG2 VAL 10 3HG2 VAL 10 7.993 -9.548 9.991 65 H ILE 11 H ILE 11 7.135 -10.236 5.219 66 HA ILE 11 HA ILE 11 9.365 -11.113 3.697 67 HB ILE 11 HB ILE 11 6.395 -10.947 3.082 68 1HG1 ILE 11 1HG1 ILE 11 7.905 -13.429 3.843 69 2HG1 ILE 11 2HG1 ILE 11 7.440 -12.289 5.106 70 1HG2 ILE 11 1HG2 ILE 11 8.579 -11.658 1.380 71 2HG2 ILE 11 2HG2 ILE 11 7.694 -13.132 1.777 72 3HG2 ILE 11 3HG2 ILE 11 6.853 -11.768 1.039 73 1HD1 ILE 11 1HD1 ILE 11 5.189 -12.637 3.388 74 2HD1 ILE 11 2HD1 ILE 11 5.804 -14.239 3.799 75 3HD1 ILE 11 3HD1 ILE 11 5.349 -13.114 5.078 76 H ALA 12 H ALA 12 6.904 -8.621 2.951 77 HA ALA 12 HA ALA 12 7.902 -7.819 0.413 78 1HB ALA 12 1HB ALA 12 5.746 -7.110 1.282 79 2HB ALA 12 2HB ALA 12 6.513 -6.325 2.663 80 3HB ALA 12 3HB ALA 12 6.725 -5.663 1.042 81 H SER 13 H SER 13 8.709 -6.689 3.702 82 HA SER 13 HA SER 13 10.638 -4.711 2.905 83 1HB SER 13 1HB SER 13 10.403 -6.387 5.428 84 2HB SER 13 2HB SER 13 11.293 -4.875 5.283 85 HG SER 13 HG SER 13 8.501 -5.308 5.016 86 H PHE 14 H PHE 14 10.866 -8.171 3.725 87 HA PHE 14 HA PHE 14 13.746 -8.345 3.527 88 1HB PHE 14 1HB PHE 14 11.375 -10.137 3.681 89 2HB PHE 14 2HB PHE 14 12.846 -10.853 3.021 90 HD1 PHE 14 HD1 PHE 14 11.113 -10.637 5.940 91 HD2 PHE 14 HD2 PHE 14 15.039 -9.768 4.429 92 HE1 PHE 14 HE1 PHE 14 12.040 -10.842 8.231 93 HE2 PHE 14 HE2 PHE 14 15.966 -9.973 6.720 94 HZ PHE 14 HZ PHE 14 14.467 -10.510 8.621 95 H ARG 15 H ARG 15 11.078 -8.911 1.228 96 HA ARG 15 HA ARG 15 12.517 -9.932 -0.971 97 1HB ARG 15 1HB ARG 15 9.956 -9.152 -0.402 98 2HB ARG 15 2HB ARG 15 10.445 -7.885 -1.527 99 1HG ARG 15 1HG ARG 15 10.972 -9.477 -3.236 100 2HG ARG 15 2HG ARG 15 10.849 -10.827 -2.108 101 1HD ARG 15 1HD ARG 15 8.373 -9.845 -1.788 102 2HD ARG 15 2HD ARG 15 8.672 -9.279 -3.444 103 HE ARG 15 HE ARG 15 9.508 -12.036 -3.064 104 1HH1 ARG 15 1HH1 ARG 15 6.847 -9.916 -3.658 105 2HH1 ARG 15 2HH1 ARG 15 5.911 -11.115 -4.486 106 1HH2 ARG 15 1HH2 ARG 15 8.295 -13.606 -4.143 107 2HH2 ARG 15 2HH2 ARG 15 6.728 -13.202 -4.758 108 H ILE 16 H ILE 16 11.940 -6.522 -0.054 109 HA ILE 16 HA ILE 16 13.330 -5.310 -2.234 110 HB ILE 16 HB ILE 16 12.718 -4.528 0.625 111 1HG1 ILE 16 1HG1 ILE 16 11.636 -3.477 -2.005 112 2HG1 ILE 16 2HG1 ILE 16 10.882 -4.792 -1.104 113 1HG2 ILE 16 1HG2 ILE 16 14.371 -3.148 -1.430 114 2HG2 ILE 16 2HG2 ILE 16 13.209 -2.154 -0.552 115 3HG2 ILE 16 3HG2 ILE 16 14.449 -3.047 0.328 116 1HD1 ILE 16 1HD1 ILE 16 11.447 -2.060 0.076 117 2HD1 ILE 16 2HD1 ILE 16 9.894 -2.521 -0.622 118 3HD1 ILE 16 3HD1 ILE 16 10.503 -3.359 0.806 119 H LEU 17 H LEU 17 14.448 -6.332 1.001 120 HA LEU 17 HA LEU 17 17.147 -5.405 0.760 121 1HB LEU 17 1HB LEU 17 15.485 -7.076 2.483 122 2HB LEU 17 2HB LEU 17 17.132 -7.695 2.371 123 HG LEU 17 HG LEU 17 17.990 -5.420 2.919 124 1HD1 LEU 17 1HD1 LEU 17 15.337 -4.679 2.306 125 2HD1 LEU 17 2HD1 LEU 17 15.524 -4.397 4.037 126 3HD1 LEU 17 3HD1 LEU 17 16.625 -3.627 2.895 127 1HD2 LEU 17 1HD2 LEU 17 17.027 -7.332 4.616 128 2HD2 LEU 17 2HD2 LEU 17 17.856 -5.871 5.155 129 3HD2 LEU 17 3HD2 LEU 17 16.093 -5.929 5.136 130 H ALA 18 H ALA 18 15.599 -8.505 -0.072 131 HA ALA 18 HA ALA 18 18.100 -9.733 -0.966 132 1HB ALA 18 1HB ALA 18 15.286 -10.608 -1.621 133 2HB ALA 18 2HB ALA 18 16.707 -11.612 -1.338 134 3HB ALA 18 3HB ALA 18 15.933 -10.781 0.010 135 H SER 19 H SER 19 16.372 -7.269 -2.272 136 HA SER 19 HA SER 19 16.352 -6.340 -4.449 137 1HB SER 19 1HB SER 19 18.700 -7.627 -4.173 138 2HB SER 19 2HB SER 19 18.006 -8.609 -5.459 139 HG SER 19 HG SER 19 18.126 -6.959 -6.790 140 H ASP 20 H ASP 20 14.081 -7.648 -3.965 141 HA ASP 20 HA ASP 20 12.303 -8.843 -4.966 142 1HB ASP 20 1HB ASP 20 14.127 -7.941 -7.173 143 2HB ASP 20 2HB ASP 20 12.754 -8.974 -7.574 144 H LYS 21 H LYS 21 13.618 -10.677 -3.658 145 HA LYS 21 HA LYS 21 13.921 -12.947 -5.566 146 1HB LYS 21 1HB LYS 21 15.930 -11.917 -3.550 147 2HB LYS 21 2HB LYS 21 16.004 -13.558 -4.190 148 1HG LYS 21 1HG LYS 21 15.787 -12.289 -6.517 149 2HG LYS 21 2HG LYS 21 16.474 -10.956 -5.588 150 1HD LYS 21 1HD LYS 21 17.965 -13.246 -4.876 151 2HD LYS 21 2HD LYS 21 17.797 -13.302 -6.631 152 1HE LYS 21 1HE LYS 21 19.646 -11.910 -6.502 153 2HE LYS 21 2HE LYS 21 18.382 -10.675 -6.334 154 1HZ LYS 21 1HZ LYS 21 19.333 -12.175 -3.979 155 2HZ LYS 21 2HZ LYS 21 20.196 -10.820 -4.529 156 3HZ LYS 21 3HZ LYS 21 18.580 -10.653 -4.042 157 HA PRO 22 HA PRO 22 11.553 -14.831 -2.379 158 1HB PRO 22 1HB PRO 22 12.090 -17.485 -3.017 159 2HB PRO 22 2HB PRO 22 10.842 -16.491 -3.791 160 1HG PRO 22 1HG PRO 22 13.563 -17.192 -4.742 161 2HG PRO 22 2HG PRO 22 12.064 -16.970 -5.659 162 1HD PRO 22 1HD PRO 22 14.027 -15.116 -5.609 163 2HD PRO 22 2HD PRO 22 12.308 -14.691 -5.768 164 H TYR 23 H TYR 23 14.903 -14.932 -2.664 165 HA TYR 23 HA TYR 23 15.149 -16.087 0.087 166 1HB TYR 23 1HB TYR 23 17.168 -17.310 -0.735 167 2HB TYR 23 2HB TYR 23 15.694 -17.831 -1.550 168 HD1 TYR 23 HD1 TYR 23 15.268 -17.269 -3.884 169 HD2 TYR 23 HD2 TYR 23 18.836 -15.935 -1.896 170 HE1 TYR 23 HE1 TYR 23 16.263 -16.666 -6.074 171 HE2 TYR 23 HE2 TYR 23 19.830 -15.331 -4.087 172 HH TYR 23 HH TYR 23 18.230 -16.147 -7.118 173 H ILE 24 H ILE 24 17.299 -15.438 1.081 174 HA ILE 24 HA ILE 24 18.462 -12.981 -0.162 175 HB ILE 24 HB ILE 24 16.526 -12.707 1.587 176 1HG1 ILE 24 1HG1 ILE 24 18.160 -10.951 0.669 177 2HG1 ILE 24 2HG1 ILE 24 17.418 -10.601 2.228 178 1HG2 ILE 24 1HG2 ILE 24 18.900 -13.300 3.377 179 2HG2 ILE 24 2HG2 ILE 24 17.371 -12.612 3.923 180 3HG2 ILE 24 3HG2 ILE 24 17.418 -14.248 3.263 181 1HD1 ILE 24 1HD1 ILE 24 19.476 -11.613 3.317 182 2HD1 ILE 24 2HD1 ILE 24 20.212 -11.646 1.716 183 3HD1 ILE 24 3HD1 ILE 24 19.759 -10.108 2.446 184 H LEU 25 H LEU 25 20.678 -12.830 0.159 185 HA LEU 25 HA LEU 25 22.068 -15.118 1.342 186 1HB LEU 25 1HB LEU 25 22.582 -13.556 -0.737 187 2HB LEU 25 2HB LEU 25 23.379 -12.558 0.478 188 HG LEU 25 HG LEU 25 24.515 -14.782 1.222 189 1HD1 LEU 25 1HD1 LEU 25 22.863 -15.871 -0.648 190 2HD1 LEU 25 2HD1 LEU 25 24.318 -15.623 -1.612 191 3HD1 LEU 25 3HD1 LEU 25 24.388 -16.605 -0.149 192 1HD2 LEU 25 1HD2 LEU 25 25.429 -12.723 -0.147 193 2HD2 LEU 25 2HD2 LEU 25 26.376 -14.208 -0.070 194 3HD2 LEU 25 3HD2 LEU 25 25.402 -13.856 -1.498 195 H ALA 26 H ALA 26 23.385 -15.032 3.217 196 HA ALA 26 HA ALA 26 22.527 -13.385 5.385 197 1HB ALA 26 1HB ALA 26 24.674 -15.338 4.759 198 2HB ALA 26 2HB ALA 26 23.557 -15.299 6.122 199 3HB ALA 26 3HB ALA 26 24.989 -14.270 6.127 200 H GLU 27 H GLU 27 24.985 -12.924 2.926 201 HA GLU 27 HA GLU 27 26.484 -10.847 4.261 202 1HB GLU 27 1HB GLU 27 26.117 -11.916 1.482 203 2HB GLU 27 2HB GLU 27 27.038 -10.432 1.716 204 1HG GLU 27 1HG GLU 27 28.586 -12.298 1.775 205 2HG GLU 27 2HG GLU 27 28.444 -11.646 3.407 206 H GLU 28 H GLU 28 23.669 -10.854 2.087 207 HA GLU 28 HA GLU 28 23.585 -8.009 1.641 208 1HB GLU 28 1HB GLU 28 21.532 -10.241 1.541 209 2HB GLU 28 2HB GLU 28 21.204 -8.601 0.981 210 1HG GLU 28 1HG GLU 28 23.517 -9.039 -0.326 211 2HG GLU 28 2HG GLU 28 22.934 -10.702 -0.222 212 H LEU 29 H LEU 29 21.737 -10.111 3.894 213 HA LEU 29 HA LEU 29 20.371 -7.936 5.190 214 1HB LEU 29 1HB LEU 29 19.556 -9.642 6.591 215 2HB LEU 29 2HB LEU 29 19.946 -10.518 5.114 216 HG LEU 29 HG LEU 29 22.278 -10.877 6.228 217 1HD1 LEU 29 1HD1 LEU 29 20.676 -9.626 8.370 218 2HD1 LEU 29 2HD1 LEU 29 21.513 -11.099 8.852 219 3HD1 LEU 29 3HD1 LEU 29 22.427 -9.742 8.197 220 1HD2 LEU 29 1HD2 LEU 29 20.207 -12.489 5.903 221 2HD2 LEU 29 2HD2 LEU 29 21.551 -12.974 6.936 222 3HD2 LEU 29 3HD2 LEU 29 20.074 -12.331 7.655 223 H ARG 30 H ARG 30 23.467 -9.545 5.751 224 HA ARG 30 HA ARG 30 24.049 -8.482 8.341 225 1HB ARG 30 1HB ARG 30 25.530 -9.599 5.993 226 2HB ARG 30 2HB ARG 30 26.473 -8.788 7.242 227 1HG ARG 30 1HG ARG 30 24.405 -10.782 8.084 228 2HG ARG 30 2HG ARG 30 25.930 -11.377 7.428 229 1HD ARG 30 1HD ARG 30 26.363 -9.236 9.372 230 2HD ARG 30 2HD ARG 30 25.497 -10.611 10.073 231 HE ARG 30 HE ARG 30 27.335 -12.054 9.487 232 1HH1 ARG 30 1HH1 ARG 30 27.807 -8.749 8.517 233 2HH1 ARG 30 2HH1 ARG 30 29.495 -8.959 8.225 234 1HH2 ARG 30 1HH2 ARG 30 29.528 -12.305 9.096 235 2HH2 ARG 30 2HH2 ARG 30 30.466 -10.957 8.546 236 H ARG 31 H ARG 31 24.489 -7.175 5.077 237 HA ARG 31 HA ARG 31 25.765 -4.722 6.166 238 1HB ARG 31 1HB ARG 31 25.951 -6.313 3.832 239 2HB ARG 31 2HB ARG 31 25.294 -4.760 3.316 240 1HG ARG 31 1HG ARG 31 27.485 -4.520 5.261 241 2HG ARG 31 2HG ARG 31 27.969 -5.278 3.744 242 1HD ARG 31 1HD ARG 31 26.356 -3.153 2.923 243 2HD ARG 31 2HD ARG 31 27.309 -2.483 4.264 244 HE ARG 31 HE ARG 31 29.028 -4.076 2.632 245 1HH1 ARG 31 1HH1 ARG 31 27.216 -1.136 2.611 246 2HH1 ARG 31 2HH1 ARG 31 28.284 -0.336 1.508 247 1HH2 ARG 31 1HH2 ARG 31 30.426 -3.043 1.194 248 2HH2 ARG 31 2HH2 ARG 31 30.099 -1.414 0.707 249 H GLU 32 H GLU 32 22.655 -5.858 5.400 250 HA GLU 32 HA GLU 32 21.641 -3.173 4.604 251 1HB GLU 32 1HB GLU 32 20.671 -6.016 4.561 252 2HB GLU 32 2HB GLU 32 19.494 -4.706 4.468 253 1HG GLU 32 1HG GLU 32 21.916 -4.812 2.664 254 2HG GLU 32 2HG GLU 32 20.393 -5.592 2.233 255 H LEU 33 H LEU 33 21.714 -5.361 7.341 256 HA LEU 33 HA LEU 33 19.827 -3.545 8.801 257 1HB LEU 33 1HB LEU 33 20.199 -6.482 8.578 258 2HB LEU 33 2HB LEU 33 19.824 -5.875 10.189 259 HG LEU 33 HG LEU 33 18.224 -4.882 7.857 260 1HD1 LEU 33 1HD1 LEU 33 18.443 -7.501 7.950 261 2HD1 LEU 33 2HD1 LEU 33 17.372 -7.351 9.342 262 3HD1 LEU 33 3HD1 LEU 33 16.849 -6.767 7.762 263 1HD2 LEU 33 1HD2 LEU 33 17.600 -5.481 10.767 264 2HD2 LEU 33 2HD2 LEU 33 17.921 -3.885 10.089 265 3HD2 LEU 33 3HD2 LEU 33 16.475 -4.772 9.609 266 HA PRO 34 HA PRO 34 23.005 -2.506 11.621 267 1HB PRO 34 1HB PRO 34 21.147 -3.263 13.829 268 2HB PRO 34 2HB PRO 34 22.015 -1.739 13.559 269 1HG PRO 34 1HG PRO 34 19.393 -1.981 13.091 270 2HG PRO 34 2HG PRO 34 20.437 -0.937 12.115 271 1HD PRO 34 1HD PRO 34 19.200 -3.535 11.425 272 2HD PRO 34 2HD PRO 34 19.670 -2.184 10.373 273 HA PRO 35 HA PRO 35 25.178 -6.235 12.419 274 1HB PRO 35 1HB PRO 35 26.230 -5.670 14.911 275 2HB PRO 35 2HB PRO 35 26.941 -5.116 13.382 276 1HG PRO 35 1HG PRO 35 25.229 -3.646 15.316 277 2HG PRO 35 2HG PRO 35 26.607 -3.074 14.362 278 1HD PRO 35 1HD PRO 35 24.044 -2.523 13.704 279 2HD PRO 35 2HD PRO 35 25.331 -2.706 12.492 280 H ASP 36 H ASP 36 23.311 -4.816 15.115 281 HA ASP 36 HA ASP 36 22.934 -7.255 16.576 282 1HB ASP 36 1HB ASP 36 22.029 -4.479 16.555 283 2HB ASP 36 2HB ASP 36 20.766 -5.585 17.095 284 H GLN 37 H GLN 37 20.797 -5.587 14.214 285 HA GLN 37 HA GLN 37 18.703 -7.565 14.357 286 1HB GLN 37 1HB GLN 37 19.450 -5.589 12.176 287 2HB GLN 37 2HB GLN 37 17.872 -6.351 12.387 288 1HG GLN 37 1HG GLN 37 19.064 -4.844 14.689 289 2HG GLN 37 2HG GLN 37 18.326 -3.936 13.369 290 2HE2 GLN 37 2HE2 GLN 37 16.952 -3.612 15.656 291 1HE2 GLN 37 1HE2 GLN 37 15.556 -4.578 15.717 292 H ALA 38 H ALA 38 21.445 -7.096 12.116 293 HA ALA 38 HA ALA 38 20.821 -9.083 10.211 294 1HB ALA 38 1HB ALA 38 23.413 -8.018 11.354 295 2HB ALA 38 2HB ALA 38 23.372 -9.115 9.973 296 3HB ALA 38 3HB ALA 38 22.607 -7.530 9.863 297 H GLN 39 H GLN 39 22.555 -9.420 13.317 298 HA GLN 39 HA GLN 39 23.296 -12.154 13.070 299 1HB GLN 39 1HB GLN 39 23.966 -10.367 14.777 300 2HB GLN 39 2HB GLN 39 22.453 -10.733 15.605 301 1HG GLN 39 1HG GLN 39 23.171 -13.157 15.656 302 2HG GLN 39 2HG GLN 39 24.746 -12.634 15.057 303 2HE2 GLN 39 2HE2 GLN 39 24.633 -13.854 17.583 304 1HE2 GLN 39 1HE2 GLN 39 24.919 -12.695 18.790 305 H TYR 40 H TYR 40 20.361 -10.726 14.563 306 HA TYR 40 HA TYR 40 19.133 -13.149 15.382 307 1HB TYR 40 1HB TYR 40 18.398 -10.343 14.825 308 2HB TYR 40 2HB TYR 40 17.055 -11.483 14.732 309 HD1 TYR 40 HD1 TYR 40 16.654 -13.063 16.692 310 HD2 TYR 40 HD2 TYR 40 19.299 -9.686 16.918 311 HE1 TYR 40 HE1 TYR 40 16.557 -13.153 19.168 312 HE2 TYR 40 HE2 TYR 40 19.202 -9.776 19.396 313 HH TYR 40 HH TYR 40 17.886 -10.623 21.153 314 H CYS 41 H CYS 41 18.847 -11.391 12.278 315 HA CYS 41 HA CYS 41 16.946 -13.175 11.081 316 1HB CYS 41 1HB CYS 41 19.084 -11.367 9.910 317 2HB CYS 41 2HB CYS 41 17.739 -12.054 8.997 318 HG CYS 41 HG CYS 41 17.488 -9.536 10.426 319 H ILE 42 H ILE 42 20.514 -13.086 10.990 320 HA ILE 42 HA ILE 42 20.840 -15.301 9.180 321 HB ILE 42 HB ILE 42 22.620 -14.164 11.356 322 1HG1 ILE 42 1HG1 ILE 42 21.567 -12.922 9.088 323 2HG1 ILE 42 2HG1 ILE 42 22.961 -12.377 10.014 324 1HG2 ILE 42 1HG2 ILE 42 23.254 -15.866 8.926 325 2HG2 ILE 42 2HG2 ILE 42 24.464 -15.080 9.939 326 3HG2 ILE 42 3HG2 ILE 42 23.430 -16.337 10.617 327 1HD1 ILE 42 1HD1 ILE 42 23.060 -14.264 7.638 328 2HD1 ILE 42 2HD1 ILE 42 23.487 -12.553 7.602 329 3HD1 ILE 42 3HD1 ILE 42 24.453 -13.685 8.550 330 H LYS 43 H LYS 43 20.130 -15.109 12.590 331 HA LYS 43 HA LYS 43 21.056 -17.818 13.221 332 1HB LYS 43 1HB LYS 43 20.377 -15.436 14.556 333 2HB LYS 43 2HB LYS 43 19.179 -16.618 15.079 334 1HG LYS 43 1HG LYS 43 20.884 -17.036 16.602 335 2HG LYS 43 2HG LYS 43 21.297 -18.185 15.330 336 1HD LYS 43 1HD LYS 43 22.694 -16.216 14.340 337 2HD LYS 43 2HD LYS 43 22.573 -15.535 15.963 338 1HE LYS 43 1HE LYS 43 23.303 -18.054 16.616 339 2HE LYS 43 2HE LYS 43 24.090 -17.921 15.030 340 1HZ LYS 43 1HZ LYS 43 24.628 -15.527 15.998 341 2HZ LYS 43 2HZ LYS 43 24.553 -16.379 17.466 342 3HZ LYS 43 3HZ LYS 43 25.651 -16.853 16.260 343 H ARG 44 H ARG 44 17.987 -16.287 12.322 344 HA ARG 44 HA ARG 44 16.496 -18.781 12.922 345 1HB ARG 44 1HB ARG 44 15.922 -15.917 12.357 346 2HB ARG 44 2HB ARG 44 14.679 -17.079 11.887 347 1HG ARG 44 1HG ARG 44 14.056 -16.710 14.086 348 2HG ARG 44 2HG ARG 44 15.171 -18.058 14.310 349 1HD ARG 44 1HD ARG 44 16.976 -16.556 14.914 350 2HD ARG 44 2HD ARG 44 15.992 -15.138 14.497 351 HE ARG 44 HE ARG 44 14.818 -15.417 16.534 352 1HH1 ARG 44 1HH1 ARG 44 16.600 -18.249 15.668 353 2HH1 ARG 44 2HH1 ARG 44 16.279 -19.062 17.164 354 1HH2 ARG 44 1HH2 ARG 44 14.396 -16.469 18.485 355 2HH2 ARG 44 2HH2 ARG 44 15.036 -18.056 18.756 356 H MET 45 H MET 45 16.558 -16.565 10.092 357 HA MET 45 HA MET 45 15.401 -17.914 8.084 358 1HB MET 45 1HB MET 45 17.214 -15.912 8.265 359 2HB MET 45 2HB MET 45 18.204 -17.139 7.473 360 1HG MET 45 1HG MET 45 16.837 -17.217 5.588 361 2HG MET 45 2HG MET 45 15.430 -16.620 6.464 362 1HE MET 45 1HE MET 45 15.360 -14.575 7.642 363 2HE MET 45 2HE MET 45 16.935 -13.849 7.994 364 3HE MET 45 3HE MET 45 15.794 -13.019 6.938 365 HA PRO 46 HA PRO 46 17.528 -21.852 8.285 366 1HB PRO 46 1HB PRO 46 15.523 -23.236 6.936 367 2HB PRO 46 2HB PRO 46 15.575 -22.988 8.691 368 1HG PRO 46 1HG PRO 46 14.029 -21.533 6.618 369 2HG PRO 46 2HG PRO 46 13.574 -21.967 8.272 370 1HD PRO 46 1HD PRO 46 14.292 -19.465 7.594 371 2HD PRO 46 2HD PRO 46 14.655 -20.156 9.190 372 H ALA 47 H ALA 47 17.131 -23.663 6.119 373 HA ALA 47 HA ALA 47 18.808 -22.408 4.081 374 1HB ALA 47 1HB ALA 47 17.450 -25.118 4.094 375 2HB ALA 47 2HB ALA 47 18.938 -24.779 4.977 376 3HB ALA 47 3HB ALA 47 18.911 -24.661 3.218 377 H TYR 48 H TYR 48 18.177 -21.850 1.979 378 HA TYR 48 HA TYR 48 15.512 -21.009 1.470 379 1HB TYR 48 1HB TYR 48 17.227 -20.021 0.210 380 2HB TYR 48 2HB TYR 48 17.989 -21.569 -0.146 381 HD1 TYR 48 HD1 TYR 48 18.066 -21.412 -2.538 382 HD2 TYR 48 HD2 TYR 48 14.359 -20.847 -0.447 383 HE1 TYR 48 HE1 TYR 48 16.846 -21.525 -4.686 384 HE2 TYR 48 HE2 TYR 48 13.130 -20.962 -2.599 385 HH TYR 48 HH TYR 48 14.565 -20.632 -5.555 386 H SER 49 H SER 49 17.132 -24.093 0.824 387 HA SER 49 HA SER 49 14.713 -25.598 0.681 388 1HB SER 49 1HB SER 49 15.221 -23.970 -1.563 389 2HB SER 49 2HB SER 49 15.623 -25.607 -2.074 390 HG SER 49 HG SER 49 13.515 -26.130 -0.987 391 H GLY 50 H GLY 50 17.887 -25.371 -0.963 392 1HA GLY 50 1HA GLY 50 18.265 -28.282 -0.701 393 2HA GLY 50 2HA GLY 50 19.362 -27.283 0.254 394 HA PRO 51 HA PRO 51 21.313 -27.798 -3.837 395 1HB PRO 51 1HB PRO 51 19.379 -28.819 -5.774 396 2HB PRO 51 2HB PRO 51 20.856 -29.591 -5.168 397 1HG PRO 51 1HG PRO 51 18.351 -30.452 -4.573 398 2HG PRO 51 2HG PRO 51 19.759 -30.705 -3.530 399 1HD PRO 51 1HD PRO 51 17.540 -28.738 -3.267 400 2HD PRO 51 2HD PRO 51 18.441 -29.612 -2.007 401 H GLY 52 H GLY 52 18.177 -26.399 -3.755 402 1HA GLY 52 1HA GLY 52 17.266 -24.507 -4.802 403 2HA GLY 52 2HA GLY 52 18.179 -24.974 -6.238 404 H SER 53 H SER 53 18.384 -22.506 -6.311 405 HA SER 53 HA SER 53 19.953 -20.741 -6.293 406 1HB SER 53 1HB SER 53 18.426 -20.570 -4.268 407 2HB SER 53 2HB SER 53 19.732 -21.289 -3.332 408 HG SER 53 HG SER 53 19.463 -18.803 -3.750 409 H VAL 54 H VAL 54 21.758 -20.476 -3.924 410 HA VAL 54 HA VAL 54 23.812 -22.524 -4.684 411 HB VAL 54 HB VAL 54 25.426 -20.613 -4.309 412 1HG1 VAL 54 1HG1 VAL 54 24.190 -21.308 -6.546 413 2HG1 VAL 54 2HG1 VAL 54 23.419 -19.732 -6.357 414 3HG1 VAL 54 3HG1 VAL 54 25.174 -19.845 -6.491 415 1HG2 VAL 54 1HG2 VAL 54 23.509 -19.400 -2.939 416 2HG2 VAL 54 2HG2 VAL 54 24.678 -18.455 -3.860 417 3HG2 VAL 54 3HG2 VAL 54 23.074 -18.764 -4.525 418 HA PRO 55 HA PRO 55 24.510 -23.204 -0.421 419 1HB PRO 55 1HB PRO 55 27.377 -22.447 -0.572 420 2HB PRO 55 2HB PRO 55 26.644 -24.005 -0.141 421 1HG PRO 55 1HG PRO 55 27.875 -23.614 -2.484 422 2HG PRO 55 2HG PRO 55 26.475 -24.684 -2.314 423 1HD PRO 55 1HD PRO 55 26.639 -21.964 -3.499 424 2HD PRO 55 2HD PRO 55 25.607 -23.339 -3.948 425 H GLY 56 H GLY 56 23.546 -21.646 0.863 426 1HA GLY 56 1HA GLY 56 24.975 -19.044 1.201 427 2HA GLY 56 2HA GLY 56 24.425 -19.954 2.609 428 H ALA 57 H ALA 57 22.457 -20.077 -0.234 429 HA ALA 57 HA ALA 57 20.826 -17.759 0.158 430 1HB ALA 57 1HB ALA 57 19.295 -19.907 -0.910 431 2HB ALA 57 2HB ALA 57 20.117 -18.627 -1.803 432 3HB ALA 57 3HB ALA 57 20.956 -20.139 -1.457 433 H LEU 58 H LEU 58 19.389 -17.340 1.782 434 HA LEU 58 HA LEU 58 18.264 -19.661 3.320 435 1HB LEU 58 1HB LEU 58 19.075 -16.889 4.261 436 2HB LEU 58 2HB LEU 58 18.408 -18.161 5.284 437 HG LEU 58 HG LEU 58 20.664 -19.128 3.720 438 1HD1 LEU 58 1HD1 LEU 58 21.238 -16.653 4.027 439 2HD1 LEU 58 2HD1 LEU 58 21.300 -16.986 5.758 440 3HD1 LEU 58 3HD1 LEU 58 22.414 -17.804 4.662 441 1HD2 LEU 58 1HD2 LEU 58 19.438 -19.443 6.289 442 2HD2 LEU 58 2HD2 LEU 58 20.677 -20.452 5.542 443 3HD2 LEU 58 3HD2 LEU 58 21.145 -19.072 6.536 444 H ASP 59 H ASP 59 16.091 -19.209 4.249 445 HA ASP 59 HA ASP 59 14.566 -17.241 2.576 446 1HB ASP 59 1HB ASP 59 14.222 -20.041 3.384 447 2HB ASP 59 2HB ASP 59 12.773 -19.067 3.637 448 H TYR 60 H TYR 60 14.143 -15.446 3.806 449 HA TYR 60 HA TYR 60 14.001 -15.464 6.710 450 1HB TYR 60 1HB TYR 60 13.264 -13.084 6.259 451 2HB TYR 60 2HB TYR 60 14.765 -13.528 5.447 452 HD1 TYR 60 HD1 TYR 60 14.965 -13.298 3.120 453 HD2 TYR 60 HD2 TYR 60 11.063 -13.398 4.914 454 HE1 TYR 60 HE1 TYR 60 13.942 -12.770 0.923 455 HE2 TYR 60 HE2 TYR 60 10.041 -12.868 2.717 456 HH TYR 60 HH TYR 60 11.882 -12.918 -0.227 457 H ALA 61 H ALA 61 11.724 -15.966 4.117 458 HA ALA 61 HA ALA 61 9.275 -15.175 5.289 459 1HB ALA 61 1HB ALA 61 9.023 -15.884 3.114 460 2HB ALA 61 2HB ALA 61 8.616 -17.410 3.898 461 3HB ALA 61 3HB ALA 61 10.246 -17.144 3.279 462 H ALA 62 H ALA 62 11.212 -18.113 5.763 463 HA ALA 62 HA ALA 62 9.286 -19.508 7.395 464 1HB ALA 62 1HB ALA 62 12.309 -19.701 7.408 465 2HB ALA 62 2HB ALA 62 11.300 -20.435 6.162 466 3HB ALA 62 3HB ALA 62 11.165 -20.972 7.837 467 H PHE 63 H PHE 63 11.888 -17.252 8.044 468 HA PHE 63 HA PHE 63 11.808 -17.446 10.934 469 1HB PHE 63 1HB PHE 63 13.766 -16.669 9.723 470 2HB PHE 63 2HB PHE 63 12.835 -15.377 8.965 471 HD1 PHE 63 HD1 PHE 63 14.097 -13.509 9.802 472 HD2 PHE 63 HD2 PHE 63 12.477 -16.432 12.500 473 HE1 PHE 63 HE1 PHE 63 14.602 -12.018 11.719 474 HE2 PHE 63 HE2 PHE 63 12.982 -14.940 14.417 475 HZ PHE 63 HZ PHE 63 14.045 -12.734 14.026 476 H SER 64 H SER 64 10.221 -15.377 8.522 477 HA SER 64 HA SER 64 9.134 -13.400 10.246 478 1HB SER 64 1HB SER 64 9.107 -13.260 7.812 479 2HB SER 64 2HB SER 64 8.096 -14.697 7.705 480 HG SER 64 HG SER 64 7.284 -12.239 7.854 481 H SER 65 H SER 65 7.730 -16.526 9.196 482 HA SER 65 HA SER 65 5.292 -16.309 10.675 483 1HB SER 65 1HB SER 65 6.864 -18.810 9.996 484 2HB SER 65 2HB SER 65 5.118 -18.670 10.184 485 HG SER 65 HG SER 65 6.771 -17.938 8.077 486 H ALA 66 H ALA 66 8.507 -17.547 11.548 487 HA ALA 66 HA ALA 66 7.850 -18.736 14.053 488 1HB ALA 66 1HB ALA 66 10.138 -18.953 14.189 489 2HB ALA 66 2HB ALA 66 10.423 -17.273 13.737 490 3HB ALA 66 3HB ALA 66 10.051 -18.469 12.496 491 H LEU 67 H LEU 67 8.632 -15.378 13.176 492 HA LEU 67 HA LEU 67 8.863 -14.275 15.784 493 1HB LEU 67 1HB LEU 67 8.826 -13.446 13.101 494 2HB LEU 67 2HB LEU 67 7.518 -12.544 13.868 495 HG LEU 67 HG LEU 67 10.336 -12.721 14.972 496 1HD1 LEU 67 1HD1 LEU 67 9.078 -10.945 12.962 497 2HD1 LEU 67 2HD1 LEU 67 9.974 -10.121 14.238 498 3HD1 LEU 67 3HD1 LEU 67 10.781 -11.319 13.226 499 1HD2 LEU 67 1HD2 LEU 67 7.892 -11.073 15.691 500 2HD2 LEU 67 2HD2 LEU 67 8.692 -12.280 16.697 501 3HD2 LEU 67 3HD2 LEU 67 9.508 -10.760 16.328 502 H TYR 68 H TYR 68 5.979 -14.750 13.726 503 HA TYR 68 HA TYR 68 4.233 -13.830 15.953 504 1HB TYR 68 1HB TYR 68 3.935 -14.380 12.999 505 2HB TYR 68 2HB TYR 68 2.525 -14.135 14.026 506 HD1 TYR 68 HD1 TYR 68 5.476 -12.564 12.515 507 HD2 TYR 68 HD2 TYR 68 2.126 -11.975 15.138 508 HE1 TYR 68 HE1 TYR 68 5.814 -10.110 12.395 509 HE2 TYR 68 HE2 TYR 68 2.464 -9.520 15.018 510 HH TYR 68 HH TYR 68 4.103 -8.001 12.751 511 H GLY 69 H GLY 69 5.672 -16.664 15.142 512 1HA GLY 69 1HA GLY 69 3.638 -18.607 14.954 513 2HA GLY 69 2HA GLY 69 3.863 -18.283 16.674 514 H GLU 70 H GLU 70 5.708 -19.090 17.686 515 HA GLU 70 HA GLU 70 7.712 -20.485 15.945 516 1HB GLU 70 1HB GLU 70 8.276 -18.510 17.530 517 2HB GLU 70 2HB GLU 70 8.044 -19.672 18.836 518 1HG GLU 70 1HG GLU 70 9.737 -21.155 17.821 519 2HG GLU 70 2HG GLU 70 9.975 -19.990 16.518 520 H SER 71 H SER 71 7.036 -22.624 15.849 521 HA SER 71 HA SER 71 6.367 -23.967 18.449 522 1HB SER 71 1HB SER 71 4.471 -23.732 16.877 523 2HB SER 71 2HB SER 71 5.413 -24.528 15.620 524 HG SER 71 HG SER 71 3.860 -25.750 17.164 525 H ASP 72 H ASP 72 6.934 -26.351 18.395 526 HA ASP 72 HA ASP 72 9.548 -26.735 16.993 527 1HB ASP 72 1HB ASP 72 9.893 -28.423 18.787 528 2HB ASP 72 2HB ASP 72 9.505 -26.837 19.456 529 H LEU 73 H LEU 73 9.818 -28.480 15.595 530 HA LEU 73 HA LEU 73 7.493 -29.735 14.440 531 1HB LEU 73 1HB LEU 73 9.238 -30.987 13.181 532 2HB LEU 73 2HB LEU 73 9.585 -29.258 13.234 533 HG LEU 73 HG LEU 73 10.770 -30.306 15.553 534 1HD1 LEU 73 1HD1 LEU 73 11.169 -32.093 13.141 535 2HD1 LEU 73 2HD1 LEU 73 12.294 -32.044 14.497 536 3HD1 LEU 73 3HD1 LEU 73 10.630 -32.567 14.752 537 1HD2 LEU 73 1HD2 LEU 73 11.513 -28.496 13.885 538 2HD2 LEU 73 2HD2 LEU 73 12.787 -29.511 14.561 539 3HD2 LEU 73 3HD2 LEU 73 12.190 -29.813 12.928 540 H GLY 7 H GLY 7 11.413 7.046 -1.012 541 1HA GLY 7 1HA GLY 7 12.867 6.189 0.638 542 2HA GLY 7 2HA GLY 7 13.709 5.300 -0.632 543 H LYS 8 H LYS 8 12.566 3.315 -1.447 544 HA LYS 8 HA LYS 8 10.514 2.159 0.341 545 1HB LYS 8 1HB LYS 8 11.920 1.245 -2.189 546 2HB LYS 8 2HB LYS 8 10.643 0.326 -1.390 547 1HG LYS 8 1HG LYS 8 9.192 2.408 -1.577 548 2HG LYS 8 2HG LYS 8 10.433 3.073 -2.638 549 1HD LYS 8 1HD LYS 8 10.106 1.384 -4.269 550 2HD LYS 8 2HD LYS 8 9.207 0.362 -3.146 551 1HE LYS 8 1HE LYS 8 7.389 1.274 -4.228 552 2HE LYS 8 2HE LYS 8 7.668 2.620 -3.104 553 1HZ LYS 8 1HZ LYS 8 9.452 3.237 -4.914 554 2HZ LYS 8 2HZ LYS 8 8.399 2.381 -5.930 555 3HZ LYS 8 3HZ LYS 8 7.835 3.733 -5.072 556 H LYS 9 H LYS 9 13.917 1.629 -0.548 557 HA LYS 9 HA LYS 9 14.368 -0.827 0.796 558 1HB LYS 9 1HB LYS 9 15.796 0.983 -0.683 559 2HB LYS 9 2HB LYS 9 16.498 1.223 0.918 560 1HG LYS 9 1HG LYS 9 16.554 -1.413 0.962 561 2HG LYS 9 2HG LYS 9 16.484 -1.243 -0.793 562 1HD LYS 9 1HD LYS 9 18.798 -1.253 -0.326 563 2HD LYS 9 2HD LYS 9 18.413 0.459 -0.504 564 1HE LYS 9 1HE LYS 9 18.166 0.628 1.982 565 2HE LYS 9 2HE LYS 9 18.694 -1.062 2.112 566 1HZ LYS 9 1HZ LYS 9 20.211 1.110 0.764 567 2HZ LYS 9 2HZ LYS 9 20.571 0.478 2.298 568 3HZ LYS 9 3HZ LYS 9 20.711 -0.505 0.922 569 H ALA 10 H ALA 10 14.788 2.519 2.016 570 HA ALA 10 HA ALA 10 15.593 1.859 4.660 571 1HB ALA 10 1HB ALA 10 15.201 4.150 5.061 572 2HB ALA 10 2HB ALA 10 13.826 4.199 3.959 573 3HB ALA 10 3HB ALA 10 15.466 4.098 3.318 574 H GLU 11 H GLU 11 12.348 2.218 3.240 575 HA GLU 11 HA GLU 11 10.855 2.016 5.680 576 1HB GLU 11 1HB GLU 11 10.120 2.781 3.369 577 2HB GLU 11 2HB GLU 11 10.065 1.079 2.908 578 1HG GLU 11 1HG GLU 11 8.531 0.717 4.912 579 2HG GLU 11 2HG GLU 11 8.419 2.475 5.027 580 H ALA 12 H ALA 12 11.992 -0.447 3.362 581 HA ALA 12 HA ALA 12 10.698 -2.692 4.607 582 1HB ALA 12 1HB ALA 12 12.329 -3.956 3.224 583 2HB ALA 12 2HB ALA 12 11.585 -2.646 2.307 584 3HB ALA 12 3HB ALA 12 13.223 -2.464 2.936 585 H VAL 13 H VAL 13 13.949 -1.264 4.991 586 HA VAL 13 HA VAL 13 15.016 -3.208 6.785 587 HB VAL 13 HB VAL 13 15.495 -0.223 6.510 588 1HG1 VAL 13 1HG1 VAL 13 16.364 -1.355 8.629 589 2HG1 VAL 13 2HG1 VAL 13 17.399 -2.319 7.575 590 3HG1 VAL 13 3HG1 VAL 13 17.581 -0.566 7.627 591 1HG2 VAL 13 1HG2 VAL 13 15.889 -2.294 4.677 592 2HG2 VAL 13 2HG2 VAL 13 16.653 -0.706 4.627 593 3HG2 VAL 13 3HG2 VAL 13 17.478 -2.057 5.405 594 H ALA 14 H ALA 14 13.182 -0.209 7.401 595 HA ALA 14 HA ALA 14 13.317 -0.257 10.252 596 1HB ALA 14 1HB ALA 14 12.397 1.431 8.377 597 2HB ALA 14 2HB ALA 14 10.863 0.692 8.837 598 3HB ALA 14 3HB ALA 14 11.843 1.515 10.051 599 H THR 15 H THR 15 10.988 -1.728 7.984 600 HA THR 15 HA THR 15 9.147 -2.725 9.930 601 HB THR 15 HB THR 15 9.907 -3.970 7.273 602 HG1 THR 15 HG1 THR 15 8.190 -1.777 7.806 603 1HG2 THR 15 1HG2 THR 15 8.220 -5.073 8.854 604 2HG2 THR 15 2HG2 THR 15 7.183 -3.681 8.545 605 3HG2 THR 15 3HG2 THR 15 7.657 -4.740 7.217 606 H VAL 16 H VAL 16 11.925 -4.326 8.327 607 HA VAL 16 HA VAL 16 11.724 -6.830 9.670 608 HB VAL 16 HB VAL 16 14.079 -5.271 8.559 609 1HG1 VAL 16 1HG1 VAL 16 13.889 -7.895 9.889 610 2HG1 VAL 16 2HG1 VAL 16 14.694 -7.939 8.320 611 3HG1 VAL 16 3HG1 VAL 16 15.304 -6.883 9.594 612 1HG2 VAL 16 1HG2 VAL 16 12.255 -5.781 6.954 613 2HG2 VAL 16 2HG2 VAL 16 13.720 -6.687 6.577 614 3HG2 VAL 16 3HG2 VAL 16 12.370 -7.488 7.381 615 H VAL 17 H VAL 17 13.654 -3.925 10.486 616 HA VAL 17 HA VAL 17 14.875 -4.946 12.849 617 HB VAL 17 HB VAL 17 14.048 -2.172 11.945 618 1HG1 VAL 17 1HG1 VAL 17 14.871 -2.991 14.536 619 2HG1 VAL 17 2HG1 VAL 17 16.254 -2.187 13.793 620 3HG1 VAL 17 3HG1 VAL 17 14.711 -1.344 13.929 621 1HG2 VAL 17 1HG2 VAL 17 16.689 -3.670 11.931 622 2HG2 VAL 17 2HG2 VAL 17 15.694 -3.312 10.520 623 3HG2 VAL 17 3HG2 VAL 17 16.471 -2.000 11.407 624 H ALA 18 H ALA 18 11.868 -3.027 12.463 625 HA ALA 18 HA ALA 18 11.140 -2.916 15.208 626 1HB ALA 18 1HB ALA 18 10.169 -2.068 12.759 627 2HB ALA 18 2HB ALA 18 8.940 -3.220 13.282 628 3HB ALA 18 3HB ALA 18 9.349 -1.843 14.304 629 H ALA 19 H ALA 19 10.328 -5.329 12.701 630 HA ALA 19 HA ALA 19 8.688 -6.986 14.391 631 1HB ALA 19 1HB ALA 19 8.504 -7.178 12.024 632 2HB ALA 19 2HB ALA 19 10.248 -7.359 11.827 633 3HB ALA 19 3HB ALA 19 9.300 -8.670 12.527 634 H VAL 20 H VAL 20 12.138 -7.156 13.458 635 HA VAL 20 HA VAL 20 12.736 -9.542 14.957 636 HB VAL 20 HB VAL 20 14.426 -7.203 14.010 637 1HG1 VAL 20 1HG1 VAL 20 15.258 -8.964 15.854 638 2HG1 VAL 20 2HG1 VAL 20 15.542 -9.942 14.414 639 3HG1 VAL 20 3HG1 VAL 20 16.329 -8.373 14.583 640 1HG2 VAL 20 1HG2 VAL 20 13.019 -9.156 12.575 641 2HG2 VAL 20 2HG2 VAL 20 14.322 -8.141 11.957 642 3HG2 VAL 20 3HG2 VAL 20 14.682 -9.741 12.605 643 H ASP 21 H ASP 21 13.071 -6.063 15.713 644 HA ASP 21 HA ASP 21 14.319 -6.291 18.248 645 1HB ASP 21 1HB ASP 21 13.846 -4.245 16.804 646 2HB ASP 21 2HB ASP 21 12.197 -4.287 17.429 647 H GLN 22 H GLN 22 10.899 -6.555 17.326 648 HA GLN 22 HA GLN 22 9.674 -6.474 19.868 649 1HB GLN 22 1HB GLN 22 8.934 -6.900 17.271 650 2HB GLN 22 2HB GLN 22 8.709 -8.514 17.948 651 1HG GLN 22 1HG GLN 22 7.610 -6.024 19.269 652 2HG GLN 22 2HG GLN 22 6.686 -6.970 18.102 653 2HE2 GLN 22 2HE2 GLN 22 5.543 -6.913 20.569 654 1HE2 GLN 22 1HE2 GLN 22 5.804 -8.361 21.415 655 H ALA 23 H ALA 23 11.095 -9.273 18.150 656 HA ALA 23 HA ALA 23 10.499 -11.220 20.176 657 1HB ALA 23 1HB ALA 23 11.335 -12.517 18.526 658 2HB ALA 23 2HB ALA 23 11.704 -11.046 17.625 659 3HB ALA 23 3HB ALA 23 12.920 -11.759 18.684 660 H ARG 24 H ARG 24 13.287 -9.078 19.636 661 HA ARG 24 HA ARG 24 15.049 -10.185 21.586 662 1HB ARG 24 1HB ARG 24 15.534 -8.492 19.779 663 2HB ARG 24 2HB ARG 24 14.704 -7.285 20.762 664 1HG ARG 24 1HG ARG 24 16.298 -7.626 22.586 665 2HG ARG 24 2HG ARG 24 17.100 -8.904 21.673 666 1HD ARG 24 1HD ARG 24 16.943 -6.582 19.994 667 2HD ARG 24 2HD ARG 24 17.634 -6.105 21.558 668 HE ARG 24 HE ARG 24 18.902 -7.862 19.632 669 1HH1 ARG 24 1HH1 ARG 24 18.399 -7.228 22.989 670 2HH1 ARG 24 2HH1 ARG 24 19.883 -7.971 23.482 671 1HH2 ARG 24 1HH2 ARG 24 20.840 -8.833 20.265 672 2HH2 ARG 24 2HH2 ARG 24 21.261 -8.878 21.944 673 H VAL 25 H VAL 25 12.529 -7.668 21.867 674 HA VAL 25 HA VAL 25 12.983 -6.884 24.546 675 HB VAL 25 HB VAL 25 10.397 -7.199 22.989 676 1HG1 VAL 25 1HG1 VAL 25 11.028 -6.146 25.660 677 2HG1 VAL 25 2HG1 VAL 25 10.151 -5.002 24.643 678 3HG1 VAL 25 3HG1 VAL 25 9.469 -6.595 24.969 679 1HG2 VAL 25 1HG2 VAL 25 12.622 -5.213 22.983 680 2HG2 VAL 25 2HG2 VAL 25 11.574 -5.728 21.662 681 3HG2 VAL 25 3HG2 VAL 25 10.983 -4.576 22.861 682 H ARG 26 H ARG 26 11.708 -9.836 23.267 683 HA ARG 26 HA ARG 26 10.848 -10.689 26.011 684 1HB ARG 26 1HB ARG 26 9.748 -10.909 23.327 685 2HB ARG 26 2HB ARG 26 9.914 -12.499 24.072 686 1HG ARG 26 1HG ARG 26 8.359 -12.055 25.692 687 2HG ARG 26 2HG ARG 26 8.821 -10.358 25.814 688 1HD ARG 26 1HD ARG 26 7.400 -9.707 24.097 689 2HD ARG 26 2HD ARG 26 7.497 -11.282 23.284 690 HE ARG 26 HE ARG 26 6.305 -11.577 25.890 691 1HH1 ARG 26 1HH1 ARG 26 5.735 -10.444 22.676 692 2HH1 ARG 26 2HH1 ARG 26 4.031 -10.739 22.738 693 1HH2 ARG 26 1HH2 ARG 26 4.083 -11.963 25.979 694 2HH2 ARG 26 2HH2 ARG 26 3.095 -11.593 24.606 695 H GLU 27 H GLU 27 13.631 -10.716 24.871 696 HA GLU 27 HA GLU 27 14.302 -13.449 24.166 697 1HB GLU 27 1HB GLU 27 16.562 -12.600 24.279 698 2HB GLU 27 2HB GLU 27 15.556 -11.304 23.629 699 1HG GLU 27 1HG GLU 27 15.394 -10.289 25.865 700 2HG GLU 27 2HG GLU 27 16.376 -11.593 26.535 701 HA PRO 28 HA PRO 28 14.346 -15.256 28.159 702 1HB PRO 28 1HB PRO 28 16.777 -16.753 27.362 703 2HB PRO 28 2HB PRO 28 15.183 -17.370 27.841 704 1HG PRO 28 1HG PRO 28 16.034 -17.469 25.308 705 2HG PRO 28 2HG PRO 28 14.332 -17.210 25.723 706 1HD PRO 28 1HD PRO 28 16.365 -15.245 24.783 707 2HD PRO 28 2HD PRO 28 14.629 -15.347 24.414 708 H ARG 29 H ARG 29 17.085 -13.627 26.797 709 HA ARG 29 HA ARG 29 18.594 -13.598 29.345 710 1HB ARG 29 1HB ARG 29 18.988 -12.656 26.510 711 2HB ARG 29 2HB ARG 29 20.059 -12.084 27.789 712 1HG ARG 29 1HG ARG 29 19.499 -15.025 27.404 713 2HG ARG 29 2HG ARG 29 20.785 -14.207 26.516 714 1HD ARG 29 1HD ARG 29 22.117 -14.044 28.366 715 2HD ARG 29 2HD ARG 29 20.750 -13.659 29.429 716 HE ARG 29 HE ARG 29 20.555 -15.963 29.887 717 1HH1 ARG 29 1HH1 ARG 29 22.231 -15.396 26.920 718 2HH1 ARG 29 2HH1 ARG 29 22.591 -17.068 26.655 719 1HH2 ARG 29 1HH2 ARG 29 21.020 -18.146 29.551 720 2HH2 ARG 29 2HH2 ARG 29 21.907 -18.623 28.143 No H/Q in entry = 720 Start of MODEL 7 1 H MET 1 H MET 1 -4.177 -2.537 1.349 2 HA MET 1 HA MET 1 -4.034 -4.883 1.849 3 1HB MET 1 1HB MET 1 -2.905 -5.504 3.957 4 2HB MET 1 2HB MET 1 -1.961 -4.298 3.081 5 1HG MET 1 1HG MET 1 -2.648 -2.547 4.527 6 2HG MET 1 2HG MET 1 -3.967 -3.509 5.195 7 1HE MET 1 1HE MET 1 -0.363 -2.739 4.881 8 2HE MET 1 2HE MET 1 -0.886 -1.964 6.374 9 3HE MET 1 3HE MET 1 0.346 -3.234 6.417 10 H ALA 2 H ALA 2 -5.385 -6.353 3.173 11 HA ALA 2 HA ALA 2 -7.380 -4.980 4.926 12 1HB ALA 2 1HB ALA 2 -8.043 -6.899 2.671 13 2HB ALA 2 2HB ALA 2 -9.186 -5.982 3.654 14 3HB ALA 2 3HB ALA 2 -8.128 -5.144 2.518 15 H ASP 3 H ASP 3 -5.075 -7.019 5.196 16 HA ASP 3 HA ASP 3 -6.682 -9.130 6.599 17 1HB ASP 3 1HB ASP 3 -4.543 -9.241 4.562 18 2HB ASP 3 2HB ASP 3 -4.323 -10.347 5.919 19 H THR 4 H THR 4 -3.766 -7.131 6.530 20 HA THR 4 HA THR 4 -2.205 -6.619 8.234 21 HB THR 4 HB THR 4 -4.273 -7.319 10.264 22 HG1 THR 4 HG1 THR 4 -5.719 -5.908 9.508 23 1HG2 THR 4 1HG2 THR 4 -2.213 -5.983 10.742 24 2HG2 THR 4 2HG2 THR 4 -2.803 -4.747 9.631 25 3HG2 THR 4 3HG2 THR 4 -3.703 -5.110 11.103 26 H ASP 5 H ASP 5 -1.325 -8.906 7.500 27 HA ASP 5 HA ASP 5 -1.649 -10.992 9.585 28 1HB ASP 5 1HB ASP 5 -0.127 -10.853 6.960 29 2HB ASP 5 2HB ASP 5 -0.294 -12.303 7.951 30 H THR 6 H THR 6 0.390 -8.344 8.927 31 HA THR 6 HA THR 6 2.357 -7.617 10.026 32 HB THR 6 HB THR 6 2.252 -10.135 11.662 33 HG1 THR 6 HG1 THR 6 0.414 -9.585 12.548 34 1HG2 THR 6 1HG2 THR 6 2.746 -7.212 12.292 35 2HG2 THR 6 2HG2 THR 6 2.813 -8.527 13.465 36 3HG2 THR 6 3HG2 THR 6 3.979 -8.465 12.143 37 H ALA 7 H ALA 7 2.452 -11.203 9.846 38 HA ALA 7 HA ALA 7 5.238 -11.421 9.295 39 1HB ALA 7 1HB ALA 7 3.760 -13.249 10.053 40 2HB ALA 7 2HB ALA 7 4.579 -13.700 8.557 41 3HB ALA 7 3HB ALA 7 2.892 -13.187 8.519 42 H GLU 8 H GLU 8 2.429 -11.370 7.076 43 HA GLU 8 HA GLU 8 3.791 -11.661 4.622 44 1HB GLU 8 1HB GLU 8 1.278 -11.525 5.212 45 2HB GLU 8 2HB GLU 8 1.475 -9.775 5.104 46 1HG GLU 8 1HG GLU 8 1.514 -9.826 2.848 47 2HG GLU 8 2HG GLU 8 2.686 -11.144 2.831 48 H GLN 9 H GLN 9 3.324 -8.786 6.654 49 HA GLN 9 HA GLN 9 4.327 -6.827 4.824 50 1HB GLN 9 1HB GLN 9 3.086 -6.570 7.052 51 2HB GLN 9 2HB GLN 9 4.641 -6.847 7.835 52 1HG GLN 9 1HG GLN 9 4.505 -4.493 7.665 53 2HG GLN 9 2HG GLN 9 5.529 -4.959 6.308 54 2HE2 GLN 9 2HE2 GLN 9 4.158 -2.525 6.121 55 1HE2 GLN 9 1HE2 GLN 9 2.901 -2.658 4.988 56 H VAL 10 H VAL 10 5.987 -8.733 7.361 57 HA VAL 10 HA VAL 10 8.597 -7.661 7.024 58 HB VAL 10 HB VAL 10 7.751 -10.497 7.708 59 1HG1 VAL 10 1HG1 VAL 10 10.274 -9.615 7.337 60 2HG1 VAL 10 2HG1 VAL 10 10.044 -9.121 9.015 61 3HG1 VAL 10 3HG1 VAL 10 9.859 -10.816 8.561 62 1HG2 VAL 10 1HG2 VAL 10 7.586 -7.903 9.176 63 2HG2 VAL 10 2HG2 VAL 10 6.535 -9.316 9.272 64 3HG2 VAL 10 3HG2 VAL 10 8.094 -9.319 10.097 65 H ILE 11 H ILE 11 6.974 -10.365 5.362 66 HA ILE 11 HA ILE 11 9.154 -11.300 3.808 67 HB ILE 11 HB ILE 11 6.166 -11.136 3.301 68 1HG1 ILE 11 1HG1 ILE 11 7.752 -13.590 4.021 69 2HG1 ILE 11 2HG1 ILE 11 7.265 -12.458 5.283 70 1HG2 ILE 11 1HG2 ILE 11 8.268 -11.846 1.497 71 2HG2 ILE 11 2HG2 ILE 11 7.409 -13.320 1.941 72 3HG2 ILE 11 3HG2 ILE 11 6.527 -11.963 1.241 73 1HD1 ILE 11 1HD1 ILE 11 5.006 -12.892 3.597 74 2HD1 ILE 11 2HD1 ILE 11 5.682 -14.470 4.002 75 3HD1 ILE 11 3HD1 ILE 11 5.205 -13.359 5.286 76 H ALA 12 H ALA 12 6.660 -8.852 2.994 77 HA ALA 12 HA ALA 12 7.674 -8.120 0.439 78 1HB ALA 12 1HB ALA 12 6.014 -6.886 2.607 79 2HB ALA 12 2HB ALA 12 6.581 -5.833 1.311 80 3HB ALA 12 3HB ALA 12 5.580 -7.236 0.934 81 H SER 13 H SER 13 8.512 -7.031 3.712 82 HA SER 13 HA SER 13 10.353 -4.957 2.918 83 1HB SER 13 1HB SER 13 10.464 -6.622 5.440 84 2HB SER 13 2HB SER 13 10.865 -4.918 5.244 85 HG SER 13 HG SER 13 8.749 -4.426 5.117 86 H PHE 14 H PHE 14 10.718 -8.418 3.711 87 HA PHE 14 HA PHE 14 13.599 -8.473 3.491 88 1HB PHE 14 1HB PHE 14 11.305 -10.371 3.616 89 2HB PHE 14 2HB PHE 14 12.819 -11.009 2.973 90 HD1 PHE 14 HD1 PHE 14 11.022 -10.803 5.882 91 HD2 PHE 14 HD2 PHE 14 14.956 -9.918 4.399 92 HE1 PHE 14 HE1 PHE 14 11.928 -10.973 8.184 93 HE2 PHE 14 HE2 PHE 14 15.861 -10.088 6.702 94 HZ PHE 14 HZ PHE 14 14.348 -10.616 8.594 95 H ARG 15 H ARG 15 10.951 -9.129 1.187 96 HA ARG 15 HA ARG 15 12.459 -10.058 -1.013 97 1HB ARG 15 1HB ARG 15 9.852 -9.469 -0.465 98 2HB ARG 15 2HB ARG 15 10.259 -8.135 -1.544 99 1HG ARG 15 1HG ARG 15 10.979 -9.665 -3.275 100 2HG ARG 15 2HG ARG 15 10.815 -11.044 -2.187 101 1HD ARG 15 1HD ARG 15 8.554 -11.167 -2.497 102 2HD ARG 15 2HD ARG 15 8.365 -9.403 -2.471 103 HE ARG 15 HE ARG 15 8.703 -9.374 -4.818 104 1HH1 ARG 15 1HH1 ARG 15 9.641 -12.383 -3.402 105 2HH1 ARG 15 2HH1 ARG 15 9.907 -13.163 -4.925 106 1HH2 ARG 15 1HH2 ARG 15 9.055 -10.381 -6.807 107 2HH2 ARG 15 2HH2 ARG 15 9.576 -12.032 -6.849 108 H ILE 16 H ILE 16 11.681 -6.704 -0.052 109 HA ILE 16 HA ILE 16 12.998 -5.390 -2.222 110 HB ILE 16 HB ILE 16 12.393 -4.636 0.652 111 1HG1 ILE 16 1HG1 ILE 16 11.082 -3.560 -1.836 112 2HG1 ILE 16 2HG1 ILE 16 10.587 -5.123 -1.185 113 1HG2 ILE 16 1HG2 ILE 16 13.325 -2.867 -1.631 114 2HG2 ILE 16 2HG2 ILE 16 12.785 -2.297 -0.053 115 3HG2 ILE 16 3HG2 ILE 16 14.257 -3.258 -0.187 116 1HD1 ILE 16 1HD1 ILE 16 10.155 -4.061 1.012 117 2HD1 ILE 16 2HD1 ILE 16 10.612 -2.497 0.336 118 3HD1 ILE 16 3HD1 ILE 16 9.177 -3.331 -0.262 119 H LEU 17 H LEU 17 14.177 -6.432 0.981 120 HA LEU 17 HA LEU 17 16.809 -5.307 0.771 121 1HB LEU 17 1HB LEU 17 15.313 -7.267 2.406 122 2HB LEU 17 2HB LEU 17 17.058 -7.522 2.370 123 HG LEU 17 HG LEU 17 16.291 -5.994 4.218 124 1HD1 LEU 17 1HD1 LEU 17 18.346 -5.488 2.196 125 2HD1 LEU 17 2HD1 LEU 17 17.867 -4.026 3.058 126 3HD1 LEU 17 3HD1 LEU 17 18.461 -5.424 3.954 127 1HD2 LEU 17 1HD2 LEU 17 14.667 -4.920 2.280 128 2HD2 LEU 17 2HD2 LEU 17 15.066 -4.122 3.801 129 3HD2 LEU 17 3HD2 LEU 17 15.976 -3.740 2.339 130 H ALA 18 H ALA 18 15.488 -8.502 -0.107 131 HA ALA 18 HA ALA 18 18.080 -9.477 -1.078 132 1HB ALA 18 1HB ALA 18 15.472 -10.752 -1.781 133 2HB ALA 18 2HB ALA 18 16.955 -11.495 -1.182 134 3HB ALA 18 3HB ALA 18 15.882 -10.646 -0.070 135 H SER 19 H SER 19 16.037 -7.216 -2.303 136 HA SER 19 HA SER 19 15.821 -6.292 -4.470 137 1HB SER 19 1HB SER 19 18.299 -7.059 -4.352 138 2HB SER 19 2HB SER 19 17.779 -8.420 -5.342 139 HG SER 19 HG SER 19 18.007 -7.072 -6.936 140 H ASP 20 H ASP 20 13.687 -7.707 -4.025 141 HA ASP 20 HA ASP 20 12.009 -9.068 -4.983 142 1HB ASP 20 1HB ASP 20 13.769 -8.770 -7.435 143 2HB ASP 20 2HB ASP 20 12.022 -9.018 -7.402 144 H LYS 21 H LYS 21 13.533 -10.688 -3.533 145 HA LYS 21 HA LYS 21 13.956 -13.066 -5.286 146 1HB LYS 21 1HB LYS 21 15.877 -11.784 -3.333 147 2HB LYS 21 2HB LYS 21 16.062 -13.453 -3.869 148 1HG LYS 21 1HG LYS 21 15.793 -12.371 -6.272 149 2HG LYS 21 2HG LYS 21 16.345 -10.917 -5.439 150 1HD LYS 21 1HD LYS 21 18.307 -12.198 -4.582 151 2HD LYS 21 2HD LYS 21 17.778 -13.587 -5.532 152 1HE LYS 21 1HE LYS 21 17.931 -11.089 -7.093 153 2HE LYS 21 2HE LYS 21 19.495 -11.649 -6.466 154 1HZ LYS 21 1HZ LYS 21 17.519 -13.388 -7.848 155 2HZ LYS 21 2HZ LYS 21 18.882 -12.705 -8.601 156 3HZ LYS 21 3HZ LYS 21 19.077 -13.828 -7.341 157 HA PRO 22 HA PRO 22 11.747 -14.855 -1.934 158 1HB PRO 22 1HB PRO 22 12.237 -17.525 -2.590 159 2HB PRO 22 2HB PRO 22 10.934 -16.529 -3.265 160 1HG PRO 22 1HG PRO 22 13.559 -17.253 -4.430 161 2HG PRO 22 2HG PRO 22 11.999 -16.989 -5.225 162 1HD PRO 22 1HD PRO 22 14.006 -15.181 -5.306 163 2HD PRO 22 2HD PRO 22 12.292 -14.717 -5.343 164 H TYR 23 H TYR 23 15.033 -14.795 -2.256 165 HA TYR 23 HA TYR 23 15.406 -16.048 0.426 166 1HB TYR 23 1HB TYR 23 17.467 -17.170 -0.533 167 2HB TYR 23 2HB TYR 23 15.942 -17.790 -1.164 168 HD1 TYR 23 HD1 TYR 23 15.179 -17.201 -3.436 169 HD2 TYR 23 HD2 TYR 23 18.975 -15.877 -1.922 170 HE1 TYR 23 HE1 TYR 23 15.893 -16.613 -5.738 171 HE2 TYR 23 HE2 TYR 23 19.688 -15.290 -4.223 172 HH TYR 23 HH TYR 23 18.461 -16.399 -6.866 173 H ILE 24 H ILE 24 17.312 -15.225 1.526 174 HA ILE 24 HA ILE 24 18.530 -12.803 0.246 175 HB ILE 24 HB ILE 24 16.632 -12.737 2.164 176 1HG1 ILE 24 1HG1 ILE 24 17.601 -10.785 1.044 177 2HG1 ILE 24 2HG1 ILE 24 17.524 -10.509 2.784 178 1HG2 ILE 24 1HG2 ILE 24 18.104 -14.059 3.726 179 2HG2 ILE 24 2HG2 ILE 24 19.218 -12.693 3.742 180 3HG2 ILE 24 3HG2 ILE 24 17.581 -12.503 4.370 181 1HD1 ILE 24 1HD1 ILE 24 19.982 -11.648 2.587 182 2HD1 ILE 24 2HD1 ILE 24 19.885 -10.833 1.025 183 3HD1 ILE 24 3HD1 ILE 24 19.710 -9.906 2.516 184 H LEU 25 H LEU 25 20.751 -12.460 0.778 185 HA LEU 25 HA LEU 25 22.159 -14.862 1.787 186 1HB LEU 25 1HB LEU 25 22.805 -12.371 0.246 187 2HB LEU 25 2HB LEU 25 24.119 -13.233 1.047 188 HG LEU 25 HG LEU 25 23.214 -15.352 -0.076 189 1HD1 LEU 25 1HD1 LEU 25 21.394 -13.282 -1.124 190 2HD1 LEU 25 2HD1 LEU 25 22.085 -14.329 -2.364 191 3HD1 LEU 25 3HD1 LEU 25 21.174 -15.029 -1.026 192 1HD2 LEU 25 1HD2 LEU 25 25.250 -14.098 -0.815 193 2HD2 LEU 25 2HD2 LEU 25 24.406 -14.874 -2.154 194 3HD2 LEU 25 3HD2 LEU 25 24.231 -13.139 -1.890 195 H ALA 26 H ALA 26 23.511 -14.822 3.623 196 HA ALA 26 HA ALA 26 22.793 -13.115 5.803 197 1HB ALA 26 1HB ALA 26 25.461 -14.314 5.925 198 2HB ALA 26 2HB ALA 26 24.035 -14.663 6.902 199 3HB ALA 26 3HB ALA 26 24.243 -15.446 5.335 200 H GLU 27 H GLU 27 25.607 -13.059 3.596 201 HA GLU 27 HA GLU 27 27.069 -10.956 4.793 202 1HB GLU 27 1HB GLU 27 26.696 -12.115 2.060 203 2HB GLU 27 2HB GLU 27 27.614 -10.618 2.203 204 1HG GLU 27 1HG GLU 27 29.199 -12.418 2.376 205 2HG GLU 27 2HG GLU 27 28.995 -11.758 3.999 206 H GLU 28 H GLU 28 24.354 -10.848 2.495 207 HA GLU 28 HA GLU 28 24.359 -8.023 2.027 208 1HB GLU 28 1HB GLU 28 23.158 -9.895 0.784 209 2HB GLU 28 2HB GLU 28 21.991 -9.916 2.106 210 1HG GLU 28 1HG GLU 28 20.885 -8.244 1.086 211 2HG GLU 28 2HG GLU 28 22.279 -7.204 1.377 212 H LEU 29 H LEU 29 22.595 -10.041 4.390 213 HA LEU 29 HA LEU 29 21.097 -7.992 5.664 214 1HB LEU 29 1HB LEU 29 22.076 -10.732 6.210 215 2HB LEU 29 2HB LEU 29 21.681 -9.791 7.648 216 HG LEU 29 HG LEU 29 19.725 -11.068 6.798 217 1HD1 LEU 29 1HD1 LEU 29 19.857 -8.143 7.120 218 2HD1 LEU 29 2HD1 LEU 29 18.421 -8.705 6.263 219 3HD1 LEU 29 3HD1 LEU 29 18.777 -9.312 7.881 220 1HD2 LEU 29 1HD2 LEU 29 20.537 -10.785 4.360 221 2HD2 LEU 29 2HD2 LEU 29 18.802 -10.663 4.653 222 3HD2 LEU 29 3HD2 LEU 29 19.763 -9.201 4.423 223 H ARG 30 H ARG 30 24.452 -9.047 6.096 224 HA ARG 30 HA ARG 30 24.985 -7.546 8.502 225 1HB ARG 30 1HB ARG 30 26.423 -9.073 6.413 226 2HB ARG 30 2HB ARG 30 27.391 -7.851 7.241 227 1HG ARG 30 1HG ARG 30 26.713 -8.801 9.424 228 2HG ARG 30 2HG ARG 30 25.777 -10.039 8.585 229 1HD ARG 30 1HD ARG 30 27.938 -11.002 9.166 230 2HD ARG 30 2HD ARG 30 27.930 -10.729 7.412 231 HE ARG 30 HE ARG 30 28.861 -8.352 8.671 232 1HH1 ARG 30 1HH1 ARG 30 29.755 -11.645 8.140 233 2HH1 ARG 30 2HH1 ARG 30 31.456 -11.323 8.168 234 1HH2 ARG 30 1HH2 ARG 30 31.077 -7.919 8.711 235 2HH2 ARG 30 2HH2 ARG 30 32.203 -9.216 8.489 236 H ARG 31 H ARG 31 25.225 -6.775 5.042 237 HA ARG 31 HA ARG 31 26.430 -4.130 5.644 238 1HB ARG 31 1HB ARG 31 26.917 -5.881 3.720 239 2HB ARG 31 2HB ARG 31 25.562 -5.073 2.933 240 1HG ARG 31 1HG ARG 31 26.707 -3.101 2.668 241 2HG ARG 31 2HG ARG 31 27.636 -3.320 4.152 242 1HD ARG 31 1HD ARG 31 28.795 -5.279 2.876 243 2HD ARG 31 2HD ARG 31 28.152 -4.493 1.420 244 HE ARG 31 HE ARG 31 29.315 -2.478 3.053 245 1HH1 ARG 31 1HH1 ARG 31 30.179 -5.264 1.206 246 2HH1 ARG 31 2HH1 ARG 31 31.763 -4.679 0.823 247 1HH2 ARG 31 1HH2 ARG 31 31.378 -1.705 2.561 248 2HH2 ARG 31 2HH2 ARG 31 32.442 -2.667 1.592 249 H GLU 32 H GLU 32 23.326 -5.519 4.751 250 HA GLU 32 HA GLU 32 22.208 -2.882 4.019 251 1HB GLU 32 1HB GLU 32 21.477 -5.753 3.862 252 2HB GLU 32 2HB GLU 32 20.131 -4.622 4.011 253 1HG GLU 32 1HG GLU 32 20.729 -5.053 1.636 254 2HG GLU 32 2HG GLU 32 20.936 -3.358 2.078 255 H LEU 33 H LEU 33 22.302 -5.005 6.812 256 HA LEU 33 HA LEU 33 20.428 -3.123 8.205 257 1HB LEU 33 1HB LEU 33 20.426 -6.033 7.803 258 2HB LEU 33 2HB LEU 33 20.218 -5.562 9.487 259 HG LEU 33 HG LEU 33 18.645 -4.036 7.476 260 1HD1 LEU 33 1HD1 LEU 33 18.464 -6.963 7.840 261 2HD1 LEU 33 2HD1 LEU 33 16.934 -6.101 7.989 262 3HD1 LEU 33 3HD1 LEU 33 17.887 -5.957 6.513 263 1HD2 LEU 33 1HD2 LEU 33 18.349 -5.046 10.291 264 2HD2 LEU 33 2HD2 LEU 33 18.210 -3.397 9.686 265 3HD2 LEU 33 3HD2 LEU 33 16.918 -4.560 9.385 266 HA PRO 34 HA PRO 34 23.477 -2.562 11.282 267 1HB PRO 34 1HB PRO 34 21.515 -3.254 13.398 268 2HB PRO 34 2HB PRO 34 22.418 -1.747 13.149 269 1HG PRO 34 1HG PRO 34 19.793 -1.944 12.643 270 2HG PRO 34 2HG PRO 34 20.869 -0.896 11.705 271 1HD PRO 34 1HD PRO 34 19.658 -3.504 10.965 272 2HD PRO 34 2HD PRO 34 20.060 -2.106 9.944 273 HA PRO 35 HA PRO 35 25.169 -6.544 12.019 274 1HB PRO 35 1HB PRO 35 26.368 -6.085 14.481 275 2HB PRO 35 2HB PRO 35 27.103 -5.691 12.915 276 1HG PRO 35 1HG PRO 35 25.713 -3.925 14.852 277 2HG PRO 35 2HG PRO 35 27.100 -3.588 13.805 278 1HD PRO 35 1HD PRO 35 24.608 -2.697 13.261 279 2HD PRO 35 2HD PRO 35 25.784 -3.099 11.992 280 H ASP 36 H ASP 36 23.306 -4.861 14.505 281 HA ASP 36 HA ASP 36 22.828 -7.095 16.242 282 1HB ASP 36 1HB ASP 36 22.402 -4.454 16.334 283 2HB ASP 36 2HB ASP 36 20.790 -4.950 15.820 284 H GLN 37 H GLN 37 20.871 -5.739 13.558 285 HA GLN 37 HA GLN 37 18.784 -7.724 13.752 286 1HB GLN 37 1HB GLN 37 19.700 -5.580 11.888 287 2HB GLN 37 2HB GLN 37 18.579 -6.781 11.245 288 1HG GLN 37 1HG GLN 37 17.251 -4.981 12.139 289 2HG GLN 37 2HG GLN 37 17.103 -6.340 13.254 290 2HE2 GLN 37 2HE2 GLN 37 18.095 -6.143 15.363 291 1HE2 GLN 37 1HE2 GLN 37 18.735 -4.674 15.925 292 H ALA 38 H ALA 38 21.746 -7.455 11.799 293 HA ALA 38 HA ALA 38 21.341 -9.605 10.008 294 1HB ALA 38 1HB ALA 38 23.990 -8.997 11.315 295 2HB ALA 38 2HB ALA 38 23.212 -7.799 10.279 296 3HB ALA 38 3HB ALA 38 23.656 -9.376 9.625 297 H GLN 39 H GLN 39 22.734 -9.645 13.304 298 HA GLN 39 HA GLN 39 23.352 -12.444 13.366 299 1HB GLN 39 1HB GLN 39 24.003 -10.411 14.886 300 2HB GLN 39 2HB GLN 39 22.525 -10.814 15.761 301 1HG GLN 39 1HG GLN 39 23.788 -12.312 16.894 302 2HG GLN 39 2HG GLN 39 23.742 -13.282 15.422 303 2HE2 GLN 39 2HE2 GLN 39 25.800 -13.908 14.779 304 1HE2 GLN 39 1HE2 GLN 39 27.213 -12.990 14.985 305 H TYR 40 H TYR 40 20.478 -10.630 14.491 306 HA TYR 40 HA TYR 40 19.053 -12.900 15.518 307 1HB TYR 40 1HB TYR 40 18.644 -10.064 14.913 308 2HB TYR 40 2HB TYR 40 17.181 -11.021 14.675 309 HD1 TYR 40 HD1 TYR 40 19.595 -9.748 17.108 310 HD2 TYR 40 HD2 TYR 40 16.230 -12.356 16.539 311 HE1 TYR 40 HE1 TYR 40 19.258 -9.849 19.563 312 HE2 TYR 40 HE2 TYR 40 15.893 -12.459 18.992 313 HH TYR 40 HH TYR 40 16.556 -11.704 20.970 314 H CYS 41 H CYS 41 18.858 -11.218 12.361 315 HA CYS 41 HA CYS 41 16.850 -12.919 11.223 316 1HB CYS 41 1HB CYS 41 19.075 -11.314 9.921 317 2HB CYS 41 2HB CYS 41 17.590 -11.848 9.133 318 HG CYS 41 HG CYS 41 17.659 -9.293 10.374 319 H ILE 42 H ILE 42 20.420 -13.026 11.072 320 HA ILE 42 HA ILE 42 20.534 -15.331 9.321 321 HB ILE 42 HB ILE 42 22.469 -13.983 11.225 322 1HG1 ILE 42 1HG1 ILE 42 22.273 -14.007 8.196 323 2HG1 ILE 42 2HG1 ILE 42 21.693 -12.700 9.229 324 1HG2 ILE 42 1HG2 ILE 42 22.777 -16.381 9.442 325 2HG2 ILE 42 2HG2 ILE 42 24.145 -15.291 9.672 326 3HG2 ILE 42 3HG2 ILE 42 23.424 -16.106 11.059 327 1HD1 ILE 42 1HD1 ILE 42 24.537 -13.662 9.453 328 2HD1 ILE 42 2HD1 ILE 42 24.084 -12.506 8.200 329 3HD1 ILE 42 3HD1 ILE 42 23.861 -12.096 9.901 330 H LYS 43 H LYS 43 19.916 -14.956 12.697 331 HA LYS 43 HA LYS 43 20.874 -17.629 13.465 332 1HB LYS 43 1HB LYS 43 20.918 -15.619 14.936 333 2HB LYS 43 2HB LYS 43 19.157 -15.581 14.902 334 1HG LYS 43 1HG LYS 43 19.401 -16.835 16.807 335 2HG LYS 43 2HG LYS 43 19.517 -18.149 15.636 336 1HD LYS 43 1HD LYS 43 22.063 -17.585 15.613 337 2HD LYS 43 2HD LYS 43 21.727 -16.766 17.138 338 1HE LYS 43 1HE LYS 43 21.044 -18.770 18.203 339 2HE LYS 43 2HE LYS 43 20.828 -19.615 16.657 340 1HZ LYS 43 1HZ LYS 43 23.193 -19.385 16.233 341 2HZ LYS 43 2HZ LYS 43 23.407 -18.584 17.717 342 3HZ LYS 43 3HZ LYS 43 22.938 -20.217 17.688 343 H ARG 44 H ARG 44 17.989 -16.245 12.171 344 HA ARG 44 HA ARG 44 16.360 -18.594 13.044 345 1HB ARG 44 1HB ARG 44 15.829 -15.787 12.106 346 2HB ARG 44 2HB ARG 44 14.543 -16.994 12.036 347 1HG ARG 44 1HG ARG 44 15.332 -17.478 14.527 348 2HG ARG 44 2HG ARG 44 15.915 -15.816 14.423 349 1HD ARG 44 1HD ARG 44 13.800 -14.951 14.449 350 2HD ARG 44 2HD ARG 44 13.169 -16.227 13.388 351 HE ARG 44 HE ARG 44 12.660 -17.507 15.311 352 1HH1 ARG 44 1HH1 ARG 44 14.864 -14.941 16.009 353 2HH1 ARG 44 2HH1 ARG 44 14.835 -15.210 17.720 354 1HH2 ARG 44 1HH2 ARG 44 12.618 -17.866 17.540 355 2HH2 ARG 44 2HH2 ARG 44 13.567 -16.863 18.585 356 H MET 45 H MET 45 16.461 -16.549 10.085 357 HA MET 45 HA MET 45 15.368 -17.953 8.108 358 1HB MET 45 1HB MET 45 17.418 -16.102 8.343 359 2HB MET 45 2HB MET 45 18.172 -17.413 7.436 360 1HG MET 45 1HG MET 45 16.658 -17.235 5.665 361 2HG MET 45 2HG MET 45 15.438 -16.452 6.666 362 1HE MET 45 1HE MET 45 15.397 -14.504 7.568 363 2HE MET 45 2HE MET 45 16.871 -13.618 7.944 364 3HE MET 45 3HE MET 45 15.786 -13.036 6.674 365 HA PRO 46 HA PRO 46 17.353 -21.949 8.650 366 1HB PRO 46 1HB PRO 46 15.322 -23.346 7.318 367 2HB PRO 46 2HB PRO 46 15.410 -23.078 9.069 368 1HG PRO 46 1HG PRO 46 13.806 -21.674 7.021 369 2HG PRO 46 2HG PRO 46 13.442 -21.998 8.721 370 1HD PRO 46 1HD PRO 46 14.172 -19.556 7.818 371 2HD PRO 46 2HD PRO 46 14.553 -20.133 9.455 372 H ALA 47 H ALA 47 17.259 -23.881 6.709 373 HA ALA 47 HA ALA 47 18.705 -22.594 4.487 374 1HB ALA 47 1HB ALA 47 18.101 -25.446 5.317 375 2HB ALA 47 2HB ALA 47 19.624 -24.577 5.509 376 3HB ALA 47 3HB ALA 47 19.068 -25.039 3.899 377 H TYR 48 H TYR 48 17.641 -21.984 2.645 378 HA TYR 48 HA TYR 48 14.973 -22.211 2.016 379 1HB TYR 48 1HB TYR 48 15.639 -21.735 -0.244 380 2HB TYR 48 2HB TYR 48 16.831 -20.986 0.807 381 HD1 TYR 48 HD1 TYR 48 17.096 -21.830 -2.174 382 HD2 TYR 48 HD2 TYR 48 18.235 -23.740 1.506 383 HE1 TYR 48 HE1 TYR 48 18.895 -23.047 -3.358 384 HE2 TYR 48 HE2 TYR 48 20.028 -24.956 0.317 385 HH TYR 48 HH TYR 48 20.246 -25.016 -3.122 386 H SER 49 H SER 49 13.587 -23.797 1.288 387 HA SER 49 HA SER 49 14.505 -26.573 1.387 388 1HB SER 49 1HB SER 49 11.961 -25.048 1.189 389 2HB SER 49 2HB SER 49 11.933 -26.718 0.634 390 HG SER 49 HG SER 49 11.570 -26.130 3.005 391 H GLY 50 H GLY 50 12.102 -25.874 -1.015 392 1HA GLY 50 1HA GLY 50 12.554 -27.210 -3.141 393 2HA GLY 50 2HA GLY 50 14.124 -26.409 -3.150 394 HA PRO 51 HA PRO 51 11.199 -23.030 -4.402 395 1HB PRO 51 1HB PRO 51 12.058 -20.723 -3.266 396 2HB PRO 51 2HB PRO 51 10.908 -21.799 -2.444 397 1HG PRO 51 1HG PRO 51 13.841 -21.501 -2.037 398 2HG PRO 51 2HG PRO 51 12.552 -21.716 -0.841 399 1HD PRO 51 1HD PRO 51 14.180 -23.734 -1.689 400 2HD PRO 51 2HD PRO 51 12.531 -23.980 -1.080 401 H GLY 52 H GLY 52 14.123 -24.005 -4.922 402 1HA GLY 52 1HA GLY 52 14.717 -21.929 -6.948 403 2HA GLY 52 2HA GLY 52 15.435 -23.540 -6.880 404 H SER 53 H SER 53 16.138 -20.342 -6.419 405 HA SER 53 HA SER 53 18.047 -19.308 -5.531 406 1HB SER 53 1HB SER 53 17.026 -19.016 -3.522 407 2HB SER 53 2HB SER 53 16.514 -20.695 -3.444 408 HG SER 53 HG SER 53 18.108 -20.133 -1.864 409 H VAL 54 H VAL 54 20.003 -19.996 -3.931 410 HA VAL 54 HA VAL 54 21.080 -22.633 -4.858 411 HB VAL 54 HB VAL 54 23.257 -21.337 -5.215 412 1HG1 VAL 54 1HG1 VAL 54 21.676 -22.047 -7.043 413 2HG1 VAL 54 2HG1 VAL 54 20.918 -20.459 -6.930 414 3HG1 VAL 54 3HG1 VAL 54 22.605 -20.598 -7.425 415 1HG2 VAL 54 1HG2 VAL 54 21.317 -19.018 -4.961 416 2HG2 VAL 54 2HG2 VAL 54 22.685 -19.355 -3.899 417 3HG2 VAL 54 3HG2 VAL 54 22.965 -18.887 -5.576 418 HA PRO 55 HA PRO 55 22.634 -23.288 -0.834 419 1HB PRO 55 1HB PRO 55 25.409 -23.525 -1.278 420 2HB PRO 55 2HB PRO 55 24.229 -24.847 -1.315 421 1HG PRO 55 1HG PRO 55 25.450 -23.342 -3.546 422 2HG PRO 55 2HG PRO 55 24.898 -25.023 -3.479 423 1HD PRO 55 1HD PRO 55 23.524 -23.114 -4.781 424 2HD PRO 55 2HD PRO 55 22.719 -24.468 -3.963 425 H GLY 56 H GLY 56 23.160 -21.882 0.827 426 1HA GLY 56 1HA GLY 56 24.933 -19.566 0.193 427 2HA GLY 56 2HA GLY 56 24.618 -20.178 1.818 428 H ALA 57 H ALA 57 21.891 -20.034 -0.267 429 HA ALA 57 HA ALA 57 21.104 -17.311 0.602 430 1HB ALA 57 1HB ALA 57 19.092 -18.769 -0.853 431 2HB ALA 57 2HB ALA 57 20.059 -17.398 -1.399 432 3HB ALA 57 3HB ALA 57 20.660 -19.042 -1.613 433 H LEU 58 H LEU 58 19.999 -17.087 2.499 434 HA LEU 58 HA LEU 58 18.669 -19.439 3.724 435 1HB LEU 58 1HB LEU 58 19.302 -16.612 4.628 436 2HB LEU 58 2HB LEU 58 18.494 -17.803 5.646 437 HG LEU 58 HG LEU 58 20.823 -17.920 6.200 438 1HD1 LEU 58 1HD1 LEU 58 19.451 -20.088 5.512 439 2HD1 LEU 58 2HD1 LEU 58 20.653 -20.166 4.224 440 3HD1 LEU 58 3HD1 LEU 58 21.166 -20.197 5.912 441 1HD2 LEU 58 1HD2 LEU 58 21.398 -16.810 3.885 442 2HD2 LEU 58 2HD2 LEU 58 22.579 -17.869 4.653 443 3HD2 LEU 58 3HD2 LEU 58 21.571 -18.478 3.341 444 H ASP 59 H ASP 59 16.420 -19.179 4.549 445 HA ASP 59 HA ASP 59 14.798 -17.469 2.702 446 1HB ASP 59 1HB ASP 59 12.971 -19.088 3.595 447 2HB ASP 59 2HB ASP 59 14.178 -19.741 2.498 448 H TYR 60 H TYR 60 14.314 -15.539 3.697 449 HA TYR 60 HA TYR 60 14.019 -15.292 6.601 450 1HB TYR 60 1HB TYR 60 13.502 -12.953 5.988 451 2HB TYR 60 2HB TYR 60 14.911 -13.516 5.090 452 HD1 TYR 60 HD1 TYR 60 14.910 -13.574 2.723 453 HD2 TYR 60 HD2 TYR 60 11.218 -13.030 4.851 454 HE1 TYR 60 HE1 TYR 60 13.751 -13.083 0.586 455 HE2 TYR 60 HE2 TYR 60 10.060 -12.540 2.713 456 HH TYR 60 HH TYR 60 11.800 -12.684 -0.394 457 H ALA 61 H ALA 61 11.985 -16.075 3.899 458 HA ALA 61 HA ALA 61 9.440 -15.192 4.787 459 1HB ALA 61 1HB ALA 61 10.507 -17.508 3.179 460 2HB ALA 61 2HB ALA 61 8.782 -17.423 3.541 461 3HB ALA 61 3HB ALA 61 9.557 -16.128 2.629 462 H ALA 62 H ALA 62 11.299 -18.137 5.570 463 HA ALA 62 HA ALA 62 9.348 -19.339 7.291 464 1HB ALA 62 1HB ALA 62 12.219 -19.622 7.965 465 2HB ALA 62 2HB ALA 62 11.815 -19.959 6.281 466 3HB ALA 62 3HB ALA 62 11.035 -20.870 7.575 467 H PHE 63 H PHE 63 11.739 -16.840 7.752 468 HA PHE 63 HA PHE 63 11.808 -16.673 10.594 469 1HB PHE 63 1HB PHE 63 13.274 -15.565 8.835 470 2HB PHE 63 2HB PHE 63 11.971 -14.407 8.589 471 HD1 PHE 63 HD1 PHE 63 14.786 -15.325 10.637 472 HD2 PHE 63 HD2 PHE 63 11.152 -13.039 10.575 473 HE1 PHE 63 HE1 PHE 63 15.591 -13.995 12.570 474 HE2 PHE 63 HE2 PHE 63 11.956 -11.709 12.508 475 HZ PHE 63 HZ PHE 63 14.175 -12.187 13.505 476 H SER 64 H SER 64 9.640 -15.099 8.216 477 HA SER 64 HA SER 64 8.211 -13.465 10.080 478 1HB SER 64 1HB SER 64 6.842 -13.050 8.227 479 2HB SER 64 2HB SER 64 8.315 -13.621 7.449 480 HG SER 64 HG SER 64 6.588 -14.758 6.607 481 H SER 65 H SER 65 7.370 -16.686 8.735 482 HA SER 65 HA SER 65 5.020 -17.020 10.380 483 1HB SER 65 1HB SER 65 6.813 -18.800 8.729 484 2HB SER 65 2HB SER 65 5.453 -19.467 9.629 485 HG SER 65 HG SER 65 5.075 -17.203 8.012 486 H ALA 66 H ALA 66 8.426 -17.949 10.748 487 HA ALA 66 HA ALA 66 8.077 -19.652 13.042 488 1HB ALA 66 1HB ALA 66 10.597 -18.997 13.256 489 2HB ALA 66 2HB ALA 66 10.073 -19.865 11.813 490 3HB ALA 66 3HB ALA 66 10.326 -18.122 11.750 491 H LEU 67 H LEU 67 8.783 -16.167 12.710 492 HA LEU 67 HA LEU 67 9.121 -15.741 15.565 493 1HB LEU 67 1HB LEU 67 9.345 -14.318 13.072 494 2HB LEU 67 2HB LEU 67 8.409 -13.346 14.207 495 HG LEU 67 HG LEU 67 11.187 -14.480 14.603 496 1HD1 LEU 67 1HD1 LEU 67 10.381 -12.103 13.515 497 2HD1 LEU 67 2HD1 LEU 67 10.529 -11.664 15.216 498 3HD1 LEU 67 3HD1 LEU 67 11.914 -12.334 14.355 499 1HD2 LEU 67 1HD2 LEU 67 9.139 -13.509 16.572 500 2HD2 LEU 67 2HD2 LEU 67 10.304 -14.825 16.731 501 3HD2 LEU 67 3HD2 LEU 67 10.841 -13.150 16.866 502 H TYR 68 H TYR 68 6.452 -15.141 13.259 503 HA TYR 68 HA TYR 68 4.676 -14.363 15.512 504 1HB TYR 68 1HB TYR 68 4.660 -14.201 12.509 505 2HB TYR 68 2HB TYR 68 3.148 -14.014 13.399 506 HD1 TYR 68 HD1 TYR 68 5.642 -12.173 11.933 507 HD2 TYR 68 HD2 TYR 68 3.619 -12.516 15.706 508 HE1 TYR 68 HE1 TYR 68 6.250 -9.830 12.473 509 HE2 TYR 68 HE2 TYR 68 4.226 -10.173 16.246 510 HH TYR 68 HH TYR 68 5.920 -8.125 13.888 511 H GLY 69 H GLY 69 5.666 -17.232 14.544 512 1HA GLY 69 1HA GLY 69 4.626 -19.334 14.094 513 2HA GLY 69 2HA GLY 69 3.062 -18.519 14.031 514 H GLU 70 H GLU 70 5.351 -20.156 16.065 515 HA GLU 70 HA GLU 70 4.988 -21.134 18.200 516 1HB GLU 70 1HB GLU 70 5.770 -18.722 18.480 517 2HB GLU 70 2HB GLU 70 4.082 -18.299 18.770 518 1HG GLU 70 1HG GLU 70 4.124 -19.143 20.868 519 2HG GLU 70 2HG GLU 70 4.954 -20.609 20.345 520 H SER 71 H SER 71 2.689 -21.414 16.437 521 HA SER 71 HA SER 71 0.318 -20.797 18.095 522 1HB SER 71 1HB SER 71 0.584 -22.299 15.474 523 2HB SER 71 2HB SER 71 -0.882 -21.579 16.132 524 HG SER 71 HG SER 71 0.610 -19.585 16.126 525 H ASP 72 H ASP 72 0.109 -22.199 19.830 526 HA ASP 72 HA ASP 72 1.042 -24.931 19.835 527 1HB ASP 72 1HB ASP 72 0.746 -23.483 21.827 528 2HB ASP 72 2HB ASP 72 -0.997 -23.485 21.561 529 H LEU 73 H LEU 73 -0.040 -26.791 19.224 530 HA LEU 73 HA LEU 73 -2.981 -26.680 18.766 531 1HB LEU 73 1HB LEU 73 -2.455 -27.804 16.496 532 2HB LEU 73 2HB LEU 73 -2.143 -26.073 16.627 533 HG LEU 73 HG LEU 73 0.242 -26.587 17.178 534 1HD1 LEU 73 1HD1 LEU 73 -0.765 -29.394 16.715 535 2HD1 LEU 73 2HD1 LEU 73 0.935 -28.982 16.495 536 3HD1 LEU 73 3HD1 LEU 73 0.175 -28.776 18.073 537 1HD2 LEU 73 1HD2 LEU 73 -0.618 -26.149 14.824 538 2HD2 LEU 73 2HD2 LEU 73 0.892 -27.057 14.909 539 3HD2 LEU 73 3HD2 LEU 73 -0.625 -27.897 14.586 540 H GLY 7 H GLY 7 12.709 6.569 1.283 541 1HA GLY 7 1HA GLY 7 14.128 5.348 -0.934 542 2HA GLY 7 2HA GLY 7 12.781 6.344 -1.485 543 H LYS 8 H LYS 8 13.250 3.321 -1.396 544 HA LYS 8 HA LYS 8 10.673 2.640 -0.021 545 1HB LYS 8 1HB LYS 8 10.717 2.531 -2.508 546 2HB LYS 8 2HB LYS 8 12.050 1.380 -2.418 547 1HG LYS 8 1HG LYS 8 10.417 -0.199 -2.423 548 2HG LYS 8 2HG LYS 8 10.214 0.237 -0.726 549 1HD LYS 8 1HD LYS 8 8.810 1.968 -2.685 550 2HD LYS 8 2HD LYS 8 8.189 0.326 -2.521 551 1HE LYS 8 1HE LYS 8 8.167 0.695 -0.001 552 2HE LYS 8 2HE LYS 8 8.486 2.409 -0.337 553 1HZ LYS 8 1HZ LYS 8 6.261 0.827 -1.512 554 2HZ LYS 8 2HZ LYS 8 6.096 1.929 -0.230 555 3HZ LYS 8 3HZ LYS 8 6.561 2.477 -1.769 556 H LYS 9 H LYS 9 14.005 1.606 -0.656 557 HA LYS 9 HA LYS 9 13.878 -0.921 0.705 558 1HB LYS 9 1HB LYS 9 15.707 0.641 -0.742 559 2HB LYS 9 2HB LYS 9 16.444 0.446 0.849 560 1HG LYS 9 1HG LYS 9 15.853 -2.051 0.624 561 2HG LYS 9 2HG LYS 9 15.579 -1.705 -1.085 562 1HD LYS 9 1HD LYS 9 18.064 -0.507 -0.260 563 2HD LYS 9 2HD LYS 9 18.058 -2.212 0.194 564 1HE LYS 9 1HE LYS 9 17.697 -2.924 -2.051 565 2HE LYS 9 2HE LYS 9 17.228 -1.292 -2.571 566 1HZ LYS 9 1HZ LYS 9 19.476 -0.547 -1.859 567 2HZ LYS 9 2HZ LYS 9 19.904 -2.176 -1.633 568 3HZ LYS 9 3HZ LYS 9 19.497 -1.614 -3.182 569 H ALA 10 H ALA 10 14.707 2.370 1.805 570 HA ALA 10 HA ALA 10 15.602 1.773 4.422 571 1HB ALA 10 1HB ALA 10 14.105 4.155 4.530 572 2HB ALA 10 2HB ALA 10 15.825 4.011 4.164 573 3HB ALA 10 3HB ALA 10 14.643 4.025 2.856 574 H GLU 11 H GLU 11 12.274 2.341 3.239 575 HA GLU 11 HA GLU 11 10.938 2.161 5.747 576 1HB GLU 11 1HB GLU 11 10.276 1.744 2.851 577 2HB GLU 11 2HB GLU 11 9.076 1.293 4.063 578 1HG GLU 11 1HG GLU 11 9.331 3.594 5.060 579 2HG GLU 11 2HG GLU 11 10.344 4.017 3.679 580 H ALA 12 H ALA 12 11.842 -0.365 3.398 581 HA ALA 12 HA ALA 12 10.562 -2.555 4.747 582 1HB ALA 12 1HB ALA 12 12.071 -3.885 3.290 583 2HB ALA 12 2HB ALA 12 11.325 -2.558 2.399 584 3HB ALA 12 3HB ALA 12 12.999 -2.427 2.939 585 H VAL 13 H VAL 13 13.914 -1.307 4.865 586 HA VAL 13 HA VAL 13 15.010 -3.226 6.642 587 HB VAL 13 HB VAL 13 15.536 -0.271 6.211 588 1HG1 VAL 13 1HG1 VAL 13 16.392 -1.168 8.421 589 2HG1 VAL 13 2HG1 VAL 13 17.379 -2.302 7.498 590 3HG1 VAL 13 3HG1 VAL 13 17.645 -0.566 7.337 591 1HG2 VAL 13 1HG2 VAL 13 15.906 -2.475 4.552 592 2HG2 VAL 13 2HG2 VAL 13 16.722 -0.920 4.394 593 3HG2 VAL 13 3HG2 VAL 13 17.494 -2.235 5.280 594 H ALA 14 H ALA 14 13.300 -0.167 7.341 595 HA ALA 14 HA ALA 14 13.595 -0.229 10.184 596 1HB ALA 14 1HB ALA 14 12.862 1.684 8.724 597 2HB ALA 14 2HB ALA 14 11.315 0.867 8.506 598 3HB ALA 14 3HB ALA 14 11.801 1.420 10.108 599 H THR 15 H THR 15 11.099 -1.591 8.032 600 HA THR 15 HA THR 15 9.312 -2.504 10.077 601 HB THR 15 HB THR 15 9.893 -3.661 7.331 602 HG1 THR 15 HG1 THR 15 7.904 -2.156 7.062 603 1HG2 THR 15 1HG2 THR 15 7.669 -3.923 9.317 604 2HG2 THR 15 2HG2 THR 15 7.282 -3.976 7.597 605 3HG2 THR 15 3HG2 THR 15 8.398 -5.154 8.287 606 H VAL 16 H VAL 16 12.024 -4.129 8.405 607 HA VAL 16 HA VAL 16 11.730 -6.669 9.716 608 HB VAL 16 HB VAL 16 14.147 -5.260 8.531 609 1HG1 VAL 16 1HG1 VAL 16 13.635 -8.043 9.506 610 2HG1 VAL 16 2HG1 VAL 16 14.648 -7.831 8.080 611 3HG1 VAL 16 3HG1 VAL 16 15.105 -7.074 9.605 612 1HG2 VAL 16 1HG2 VAL 16 11.894 -6.897 7.379 613 2HG2 VAL 16 2HG2 VAL 16 12.565 -5.374 6.795 614 3HG2 VAL 16 3HG2 VAL 16 13.470 -6.873 6.589 615 H VAL 17 H VAL 17 13.744 -3.811 10.450 616 HA VAL 17 HA VAL 17 15.102 -4.913 12.717 617 HB VAL 17 HB VAL 17 14.303 -2.044 12.123 618 1HG1 VAL 17 1HG1 VAL 17 16.379 -3.356 13.867 619 2HG1 VAL 17 2HG1 VAL 17 16.641 -1.731 13.231 620 3HG1 VAL 17 3HG1 VAL 17 15.256 -2.058 14.273 621 1HG2 VAL 17 1HG2 VAL 17 15.608 -3.667 10.383 622 2HG2 VAL 17 2HG2 VAL 17 15.939 -1.940 10.518 623 3HG2 VAL 17 3HG2 VAL 17 16.970 -3.104 11.352 624 H ALA 18 H ALA 18 12.126 -2.933 12.484 625 HA ALA 18 HA ALA 18 11.581 -2.779 15.286 626 1HB ALA 18 1HB ALA 18 10.194 -2.399 12.695 627 2HB ALA 18 2HB ALA 18 10.242 -1.341 14.106 628 3HB ALA 18 3HB ALA 18 9.134 -2.713 14.068 629 H ALA 19 H ALA 19 10.738 -5.214 12.838 630 HA ALA 19 HA ALA 19 8.954 -6.765 14.469 631 1HB ALA 19 1HB ALA 19 8.978 -8.184 12.628 632 2HB ALA 19 2HB ALA 19 10.711 -7.984 12.370 633 3HB ALA 19 3HB ALA 19 9.595 -6.708 11.884 634 H VAL 20 H VAL 20 12.469 -7.000 13.864 635 HA VAL 20 HA VAL 20 12.911 -9.372 15.419 636 HB VAL 20 HB VAL 20 14.708 -7.017 14.745 637 1HG1 VAL 20 1HG1 VAL 20 15.160 -9.644 16.061 638 2HG1 VAL 20 2HG1 VAL 20 16.344 -9.164 14.845 639 3HG1 VAL 20 3HG1 VAL 20 16.043 -8.129 16.241 640 1HG2 VAL 20 1HG2 VAL 20 13.444 -8.538 12.942 641 2HG2 VAL 20 2HG2 VAL 20 15.112 -8.018 12.699 642 3HG2 VAL 20 3HG2 VAL 20 14.772 -9.638 13.308 643 H ASP 21 H ASP 21 13.029 -5.903 16.244 644 HA ASP 21 HA ASP 21 13.985 -6.209 18.930 645 1HB ASP 21 1HB ASP 21 13.350 -4.176 17.160 646 2HB ASP 21 2HB ASP 21 12.114 -4.003 18.407 647 H GLN 22 H GLN 22 10.727 -6.260 17.522 648 HA GLN 22 HA GLN 22 9.201 -6.155 19.921 649 1HB GLN 22 1HB GLN 22 8.797 -6.392 17.188 650 2HB GLN 22 2HB GLN 22 8.193 -7.929 17.807 651 1HG GLN 22 1HG GLN 22 6.307 -6.533 17.953 652 2HG GLN 22 2HG GLN 22 6.972 -6.467 19.585 653 2HE2 GLN 22 2HE2 GLN 22 7.365 -4.722 16.442 654 1HE2 GLN 22 1HE2 GLN 22 7.507 -3.186 17.150 655 H ALA 23 H ALA 23 10.566 -8.957 18.164 656 HA ALA 23 HA ALA 23 9.501 -10.984 19.889 657 1HB ALA 23 1HB ALA 23 10.332 -11.519 17.702 658 2HB ALA 23 2HB ALA 23 11.434 -12.292 18.843 659 3HB ALA 23 3HB ALA 23 11.899 -10.786 18.051 660 H ARG 24 H ARG 24 12.481 -9.052 20.029 661 HA ARG 24 HA ARG 24 13.745 -10.546 22.145 662 1HB ARG 24 1HB ARG 24 14.667 -8.807 20.461 663 2HB ARG 24 2HB ARG 24 14.066 -7.594 21.592 664 1HG ARG 24 1HG ARG 24 15.363 -8.850 23.407 665 2HG ARG 24 2HG ARG 24 16.152 -9.725 22.093 666 1HD ARG 24 1HD ARG 24 16.367 -7.094 21.259 667 2HD ARG 24 2HD ARG 24 16.595 -6.971 23.015 668 HE ARG 24 HE ARG 24 18.053 -9.233 22.041 669 1HH1 ARG 24 1HH1 ARG 24 18.019 -5.779 22.001 670 2HH1 ARG 24 2HH1 ARG 24 19.738 -5.636 21.844 671 1HH2 ARG 24 1HH2 ARG 24 20.291 -9.057 21.833 672 2HH2 ARG 24 2HH2 ARG 24 21.022 -7.488 21.751 673 H VAL 25 H VAL 25 11.764 -7.560 22.169 674 HA VAL 25 HA VAL 25 11.854 -7.097 24.977 675 HB VAL 25 HB VAL 25 9.681 -6.525 22.938 676 1HG1 VAL 25 1HG1 VAL 25 9.935 -5.950 25.772 677 2HG1 VAL 25 2HG1 VAL 25 9.867 -4.459 24.832 678 3HG1 VAL 25 3HG1 VAL 25 8.572 -5.649 24.694 679 1HG2 VAL 25 1HG2 VAL 25 12.135 -5.758 22.524 680 2HG2 VAL 25 2HG2 VAL 25 10.854 -4.553 22.393 681 3HG2 VAL 25 3HG2 VAL 25 11.844 -4.632 23.850 682 H ARG 26 H ARG 26 10.115 -9.441 23.107 683 HA ARG 26 HA ARG 26 8.550 -11.104 23.727 684 1HB ARG 26 1HB ARG 26 10.595 -11.500 25.178 685 2HB ARG 26 2HB ARG 26 9.771 -10.605 26.456 686 1HG ARG 26 1HG ARG 26 8.742 -12.518 27.044 687 2HG ARG 26 2HG ARG 26 7.881 -12.461 25.505 688 1HD ARG 26 1HD ARG 26 9.677 -13.728 24.413 689 2HD ARG 26 2HD ARG 26 10.606 -13.742 25.926 690 HE ARG 26 HE ARG 26 9.116 -15.377 26.770 691 1HH1 ARG 26 1HH1 ARG 26 7.844 -13.770 23.990 692 2HH1 ARG 26 2HH1 ARG 26 6.470 -14.815 23.855 693 1HH2 ARG 26 1HH2 ARG 26 7.328 -16.742 26.607 694 2HH2 ARG 26 2HH2 ARG 26 6.178 -16.496 25.336 695 H GLU 27 H GLU 27 7.165 -8.838 23.474 696 HA GLU 27 HA GLU 27 5.743 -8.288 26.039 697 1HB GLU 27 1HB GLU 27 6.641 -6.415 24.702 698 2HB GLU 27 2HB GLU 27 5.692 -6.949 23.314 699 1HG GLU 27 1HG GLU 27 3.646 -6.740 24.884 700 2HG GLU 27 2HG GLU 27 4.712 -5.794 25.923 701 HA PRO 28 HA PRO 28 2.519 -10.997 24.679 702 1HB PRO 28 1HB PRO 28 0.788 -9.484 26.541 703 2HB PRO 28 2HB PRO 28 1.196 -11.210 26.538 704 1HG PRO 28 1HG PRO 28 2.174 -9.501 28.363 705 2HG PRO 28 2HG PRO 28 3.079 -10.909 27.784 706 1HD PRO 28 1HD PRO 28 3.431 -8.034 27.116 707 2HD PRO 28 2HD PRO 28 4.645 -9.325 27.262 708 H ARG 29 H ARG 29 -0.209 -10.100 24.677 709 HA ARG 29 HA ARG 29 -0.378 -7.570 23.208 710 1HB ARG 29 1HB ARG 29 -0.947 -8.594 21.066 711 2HB ARG 29 2HB ARG 29 0.618 -9.211 21.594 712 1HG ARG 29 1HG ARG 29 -0.176 -11.329 21.923 713 2HG ARG 29 2HG ARG 29 -1.740 -10.760 22.508 714 1HD ARG 29 1HD ARG 29 -2.345 -10.141 20.149 715 2HD ARG 29 2HD ARG 29 -0.830 -10.895 19.613 716 HE ARG 29 HE ARG 29 -3.193 -12.318 20.590 717 1HH1 ARG 29 1HH1 ARG 29 0.241 -12.312 20.204 718 2HH1 ARG 29 2HH1 ARG 29 0.372 -14.039 20.205 719 1HH2 ARG 29 1HH2 ARG 29 -3.032 -14.568 20.589 720 2HH2 ARG 29 2HH2 ARG 29 -1.479 -15.315 20.419 No H/Q in entry = 720 Start of MODEL 8 1 H MET 1 H MET 1 -4.080 -12.878 -2.597 2 HA MET 1 HA MET 1 -3.053 -10.922 -1.729 3 1HB MET 1 1HB MET 1 -4.759 -9.601 -3.867 4 2HB MET 1 2HB MET 1 -3.391 -8.862 -3.033 5 1HG MET 1 1HG MET 1 -1.841 -10.064 -4.222 6 2HG MET 1 2HG MET 1 -2.881 -11.482 -4.342 7 1HE MET 1 1HE MET 1 -1.096 -9.055 -6.074 8 2HE MET 1 2HE MET 1 -2.054 -8.336 -7.367 9 3HE MET 1 3HE MET 1 -2.269 -7.795 -5.697 10 H ALA 2 H ALA 2 -3.744 -10.255 0.262 11 HA ALA 2 HA ALA 2 -6.478 -9.062 0.502 12 1HB ALA 2 1HB ALA 2 -5.200 -11.246 2.176 13 2HB ALA 2 2HB ALA 2 -6.638 -11.391 1.166 14 3HB ALA 2 3HB ALA 2 -6.685 -10.408 2.630 15 H ASP 3 H ASP 3 -4.806 -7.152 0.436 16 HA ASP 3 HA ASP 3 -3.641 -5.458 1.607 17 1HB ASP 3 1HB ASP 3 -5.303 -6.709 3.821 18 2HB ASP 3 2HB ASP 3 -4.589 -5.097 3.871 19 H THR 4 H THR 4 -2.846 -5.575 4.407 20 HA THR 4 HA THR 4 -0.733 -7.704 4.256 21 HB THR 4 HB THR 4 0.389 -5.806 5.787 22 HG1 THR 4 HG1 THR 4 -1.083 -4.234 3.994 23 1HG2 THR 4 1HG2 THR 4 0.154 -5.838 2.770 24 2HG2 THR 4 2HG2 THR 4 1.310 -4.829 3.640 25 3HG2 THR 4 3HG2 THR 4 1.411 -6.585 3.757 26 H ASP 5 H ASP 5 0.236 -7.952 6.639 27 HA ASP 5 HA ASP 5 -1.801 -7.689 8.764 28 1HB ASP 5 1HB ASP 5 -1.918 -9.865 7.141 29 2HB ASP 5 2HB ASP 5 -0.788 -10.452 8.361 30 H THR 6 H THR 6 0.716 -6.491 8.672 31 HA THR 6 HA THR 6 2.610 -6.214 10.064 32 HB THR 6 HB THR 6 1.650 -8.608 11.614 33 HG1 THR 6 HG1 THR 6 0.104 -7.237 12.567 34 1HG2 THR 6 1HG2 THR 6 3.540 -6.566 12.011 35 2HG2 THR 6 2HG2 THR 6 2.187 -6.162 13.067 36 3HG2 THR 6 3HG2 THR 6 2.975 -7.733 13.207 37 H ALA 7 H ALA 7 2.038 -9.753 10.132 38 HA ALA 7 HA ALA 7 4.798 -10.448 9.792 39 1HB ALA 7 1HB ALA 7 2.168 -11.881 9.329 40 2HB ALA 7 2HB ALA 7 3.728 -12.693 9.200 41 3HB ALA 7 3HB ALA 7 3.220 -11.997 10.739 42 H GLU 8 H GLU 8 2.084 -10.349 7.461 43 HA GLU 8 HA GLU 8 3.453 -11.183 5.139 44 1HB GLU 8 1HB GLU 8 0.952 -10.404 5.765 45 2HB GLU 8 2HB GLU 8 1.504 -8.930 4.969 46 1HG GLU 8 1HG GLU 8 2.378 -10.582 3.124 47 2HG GLU 8 2HG GLU 8 1.206 -11.694 3.831 48 H GLN 9 H GLN 9 3.345 -8.000 6.703 49 HA GLN 9 HA GLN 9 4.607 -6.469 4.653 50 1HB GLN 9 1HB GLN 9 3.414 -5.779 6.827 51 2HB GLN 9 2HB GLN 9 4.949 -6.099 7.634 52 1HG GLN 9 1HG GLN 9 5.332 -3.896 7.130 53 2HG GLN 9 2HG GLN 9 5.834 -4.579 5.583 54 2HE2 GLN 9 2HE2 GLN 9 4.867 -1.957 5.573 55 1HE2 GLN 9 1HE2 GLN 9 3.329 -1.911 4.856 56 H VAL 10 H VAL 10 5.974 -8.443 7.287 57 HA VAL 10 HA VAL 10 8.697 -7.671 7.055 58 HB VAL 10 HB VAL 10 7.594 -10.439 7.618 59 1HG1 VAL 10 1HG1 VAL 10 10.183 -9.639 7.487 60 2HG1 VAL 10 2HG1 VAL 10 9.824 -9.245 9.169 61 3HG1 VAL 10 3HG1 VAL 10 9.616 -10.897 8.585 62 1HG2 VAL 10 1HG2 VAL 10 7.540 -7.892 9.210 63 2HG2 VAL 10 2HG2 VAL 10 6.294 -9.130 9.050 64 3HG2 VAL 10 3HG2 VAL 10 7.715 -9.432 10.052 65 H ILE 11 H ILE 11 6.975 -10.370 5.449 66 HA ILE 11 HA ILE 11 9.096 -11.340 3.855 67 HB ILE 11 HB ILE 11 6.100 -11.126 3.432 68 1HG1 ILE 11 1HG1 ILE 11 7.617 -13.654 3.972 69 2HG1 ILE 11 2HG1 ILE 11 7.346 -12.537 5.310 70 1HG2 ILE 11 1HG2 ILE 11 8.224 -12.533 1.804 71 2HG2 ILE 11 2HG2 ILE 11 6.534 -13.038 1.779 72 3HG2 ILE 11 3HG2 ILE 11 6.979 -11.420 1.238 73 1HD1 ILE 11 1HD1 ILE 11 5.033 -13.235 3.539 74 2HD1 ILE 11 2HD1 ILE 11 5.559 -14.410 4.746 75 3HD1 ILE 11 3HD1 ILE 11 5.040 -12.801 5.249 76 H ALA 12 H ALA 12 6.630 -8.864 3.049 77 HA ALA 12 HA ALA 12 7.626 -8.161 0.478 78 1HB ALA 12 1HB ALA 12 5.448 -7.483 1.477 79 2HB ALA 12 2HB ALA 12 6.307 -6.451 2.619 80 3HB ALA 12 3HB ALA 12 6.350 -6.083 0.895 81 H SER 13 H SER 13 8.486 -7.033 3.737 82 HA SER 13 HA SER 13 10.346 -4.991 2.916 83 1HB SER 13 1HB SER 13 10.043 -6.683 5.419 84 2HB SER 13 2HB SER 13 11.119 -5.293 5.303 85 HG SER 13 HG SER 13 8.302 -5.405 5.183 86 H PHE 14 H PHE 14 10.686 -8.448 3.736 87 HA PHE 14 HA PHE 14 13.559 -8.549 3.476 88 1HB PHE 14 1HB PHE 14 11.237 -10.425 3.586 89 2HB PHE 14 2HB PHE 14 12.761 -11.070 2.975 90 HD1 PHE 14 HD1 PHE 14 10.915 -10.902 5.841 91 HD2 PHE 14 HD2 PHE 14 14.862 -9.932 4.450 92 HE1 PHE 14 HE1 PHE 14 11.775 -11.076 8.160 93 HE2 PHE 14 HE2 PHE 14 15.721 -10.105 6.769 94 HZ PHE 14 HZ PHE 14 14.179 -10.676 8.625 95 H ARG 15 H ARG 15 10.870 -9.154 1.220 96 HA ARG 15 HA ARG 15 12.305 -10.098 -1.021 97 1HB ARG 15 1HB ARG 15 9.728 -9.435 -0.378 98 2HB ARG 15 2HB ARG 15 10.135 -8.136 -1.500 99 1HG ARG 15 1HG ARG 15 10.699 -9.693 -3.236 100 2HG ARG 15 2HG ARG 15 10.632 -11.056 -2.117 101 1HD ARG 15 1HD ARG 15 8.276 -10.985 -1.976 102 2HD ARG 15 2HD ARG 15 8.202 -9.319 -2.583 103 HE ARG 15 HE ARG 15 8.443 -11.716 -4.227 104 1HH1 ARG 15 1HH1 ARG 15 9.182 -8.357 -3.900 105 2HH1 ARG 15 2HH1 ARG 15 9.300 -8.086 -5.606 106 1HH2 ARG 15 1HH2 ARG 15 8.595 -11.372 -6.453 107 2HH2 ARG 15 2HH2 ARG 15 8.968 -9.790 -7.049 108 H ILE 16 H ILE 16 11.614 -6.735 -0.026 109 HA ILE 16 HA ILE 16 12.860 -5.416 -2.225 110 HB ILE 16 HB ILE 16 12.362 -4.724 0.680 111 1HG1 ILE 16 1HG1 ILE 16 11.070 -3.828 -1.918 112 2HG1 ILE 16 2HG1 ILE 16 10.399 -5.022 -0.806 113 1HG2 ILE 16 1HG2 ILE 16 13.521 -3.026 -1.542 114 2HG2 ILE 16 2HG2 ILE 16 12.761 -2.334 -0.109 115 3HG2 ILE 16 3HG2 ILE 16 14.208 -3.330 0.054 116 1HD1 ILE 16 1HD1 ILE 16 11.168 -2.392 0.359 117 2HD1 ILE 16 2HD1 ILE 16 9.743 -2.413 -0.680 118 3HD1 ILE 16 3HD1 ILE 16 9.807 -3.441 0.753 119 H LEU 17 H LEU 17 14.175 -6.414 0.950 120 HA LEU 17 HA LEU 17 16.820 -5.382 0.548 121 1HB LEU 17 1HB LEU 17 15.384 -7.274 2.330 122 2HB LEU 17 2HB LEU 17 17.132 -7.488 2.244 123 HG LEU 17 HG LEU 17 16.325 -5.878 4.039 124 1HD1 LEU 17 1HD1 LEU 17 18.638 -5.909 2.977 125 2HD1 LEU 17 2HD1 LEU 17 18.087 -4.595 1.938 126 3HD1 LEU 17 3HD1 LEU 17 18.154 -4.369 3.686 127 1HD2 LEU 17 1HD2 LEU 17 14.562 -4.886 2.468 128 2HD2 LEU 17 2HD2 LEU 17 15.515 -3.723 3.389 129 3HD2 LEU 17 3HD2 LEU 17 15.886 -4.019 1.690 130 H ALA 18 H ALA 18 15.343 -8.542 -0.172 131 HA ALA 18 HA ALA 18 17.828 -9.721 -1.148 132 1HB ALA 18 1HB ALA 18 15.260 -10.854 -2.038 133 2HB ALA 18 2HB ALA 18 16.548 -11.604 -1.096 134 3HB ALA 18 3HB ALA 18 15.347 -10.589 -0.296 135 H SER 19 H SER 19 15.772 -7.390 -2.421 136 HA SER 19 HA SER 19 15.685 -6.418 -4.576 137 1HB SER 19 1HB SER 19 18.176 -7.540 -4.272 138 2HB SER 19 2HB SER 19 17.601 -8.344 -5.729 139 HG SER 19 HG SER 19 18.662 -6.309 -6.111 140 H ASP 20 H ASP 20 13.564 -7.903 -4.255 141 HA ASP 20 HA ASP 20 11.962 -9.262 -5.334 142 1HB ASP 20 1HB ASP 20 13.852 -8.813 -7.667 143 2HB ASP 20 2HB ASP 20 12.129 -9.182 -7.765 144 H LYS 21 H LYS 21 13.375 -10.911 -3.858 145 HA LYS 21 HA LYS 21 13.938 -13.240 -5.629 146 1HB LYS 21 1HB LYS 21 15.764 -12.074 -3.502 147 2HB LYS 21 2HB LYS 21 16.027 -13.633 -4.284 148 1HG LYS 21 1HG LYS 21 15.966 -12.399 -6.507 149 2HG LYS 21 2HG LYS 21 16.021 -10.898 -5.581 150 1HD LYS 21 1HD LYS 21 18.234 -11.119 -5.195 151 2HD LYS 21 2HD LYS 21 18.038 -12.792 -4.669 152 1HE LYS 21 1HE LYS 21 17.961 -13.519 -7.050 153 2HE LYS 21 2HE LYS 21 18.236 -11.837 -7.550 154 1HZ LYS 21 1HZ LYS 21 20.001 -13.340 -5.690 155 2HZ LYS 21 2HZ LYS 21 20.317 -13.138 -7.346 156 3HZ LYS 21 3HZ LYS 21 20.273 -11.787 -6.317 157 HA PRO 22 HA PRO 22 11.624 -15.129 -2.402 158 1HB PRO 22 1HB PRO 22 12.273 -17.774 -2.954 159 2HB PRO 22 2HB PRO 22 11.007 -16.853 -3.785 160 1HG PRO 22 1HG PRO 22 13.767 -17.484 -4.658 161 2HG PRO 22 2HG PRO 22 12.284 -17.336 -5.611 162 1HD PRO 22 1HD PRO 22 14.196 -15.420 -5.557 163 2HD PRO 22 2HD PRO 22 12.473 -15.060 -5.800 164 H TYR 23 H TYR 23 14.946 -14.975 -2.568 165 HA TYR 23 HA TYR 23 15.208 -16.043 0.202 166 1HB TYR 23 1HB TYR 23 17.271 -17.278 -0.568 167 2HB TYR 23 2HB TYR 23 15.770 -17.906 -1.251 168 HD1 TYR 23 HD1 TYR 23 18.533 -15.481 -1.964 169 HD2 TYR 23 HD2 TYR 23 15.518 -18.083 -3.574 170 HE1 TYR 23 HE1 TYR 23 19.395 -15.063 -4.252 171 HE2 TYR 23 HE2 TYR 23 16.379 -17.665 -5.862 172 HH TYR 23 HH TYR 23 19.354 -16.332 -6.490 173 H ILE 24 H ILE 24 17.089 -15.179 1.298 174 HA ILE 24 HA ILE 24 18.327 -12.816 -0.075 175 HB ILE 24 HB ILE 24 16.497 -12.586 1.795 176 1HG1 ILE 24 1HG1 ILE 24 18.078 -10.805 0.822 177 2HG1 ILE 24 2HG1 ILE 24 17.417 -10.489 2.424 178 1HG2 ILE 24 1HG2 ILE 24 18.973 -13.266 3.404 179 2HG2 ILE 24 2HG2 ILE 24 17.523 -12.522 4.078 180 3HG2 ILE 24 3HG2 ILE 24 17.445 -14.145 3.393 181 1HD1 ILE 24 1HD1 ILE 24 19.556 -11.573 3.348 182 2HD1 ILE 24 2HD1 ILE 24 20.195 -11.440 1.712 183 3HD1 ILE 24 3HD1 ILE 24 19.736 -9.990 2.598 184 H LEU 25 H LEU 25 20.568 -12.600 0.219 185 HA LEU 25 HA LEU 25 22.019 -14.956 1.176 186 1HB LEU 25 1HB LEU 25 22.662 -12.288 -0.065 187 2HB LEU 25 2HB LEU 25 23.958 -13.305 0.562 188 HG LEU 25 HG LEU 25 22.630 -15.164 -0.852 189 1HD1 LEU 25 1HD1 LEU 25 21.128 -13.020 -1.511 190 2HD1 LEU 25 2HD1 LEU 25 22.362 -12.900 -2.764 191 3HD1 LEU 25 3HD1 LEU 25 21.395 -14.367 -2.616 192 1HD2 LEU 25 1HD2 LEU 25 25.028 -14.480 -1.058 193 2HD2 LEU 25 2HD2 LEU 25 24.280 -14.807 -2.621 194 3HD2 LEU 25 3HD2 LEU 25 24.526 -13.143 -2.092 195 H ALA 26 H ALA 26 23.053 -15.141 3.150 196 HA ALA 26 HA ALA 26 22.398 -13.441 5.348 197 1HB ALA 26 1HB ALA 26 24.456 -15.566 4.767 198 2HB ALA 26 2HB ALA 26 23.041 -15.662 5.815 199 3HB ALA 26 3HB ALA 26 24.453 -14.735 6.322 200 H GLU 27 H GLU 27 25.284 -13.578 3.261 201 HA GLU 27 HA GLU 27 26.923 -11.699 4.603 202 1HB GLU 27 1HB GLU 27 26.507 -12.708 1.825 203 2HB GLU 27 2HB GLU 27 27.510 -11.272 2.014 204 1HG GLU 27 1HG GLU 27 29.223 -12.459 2.886 205 2HG GLU 27 2HG GLU 27 28.155 -13.341 3.978 206 H GLU 28 H GLU 28 24.361 -11.202 2.173 207 HA GLU 28 HA GLU 28 24.646 -8.328 2.039 208 1HB GLU 28 1HB GLU 28 23.607 -9.698 0.286 209 2HB GLU 28 2HB GLU 28 22.351 -10.217 1.412 210 1HG GLU 28 1HG GLU 28 21.598 -7.881 1.658 211 2HG GLU 28 2HG GLU 28 22.850 -7.357 0.532 212 H LEU 29 H LEU 29 22.510 -10.518 3.868 213 HA LEU 29 HA LEU 29 20.923 -8.514 5.151 214 1HB LEU 29 1HB LEU 29 20.043 -10.632 5.367 215 2HB LEU 29 2HB LEU 29 21.627 -11.393 5.422 216 HG LEU 29 HG LEU 29 21.899 -10.519 7.756 217 1HD1 LEU 29 1HD1 LEU 29 19.013 -9.706 7.302 218 2HD1 LEU 29 2HD1 LEU 29 19.777 -9.777 8.892 219 3HD1 LEU 29 3HD1 LEU 29 20.368 -8.640 7.677 220 1HD2 LEU 29 1HD2 LEU 29 21.019 -12.823 7.196 221 2HD2 LEU 29 2HD2 LEU 29 20.497 -12.210 8.764 222 3HD2 LEU 29 3HD2 LEU 29 19.388 -12.179 7.392 223 H ARG 30 H ARG 30 23.965 -10.110 6.026 224 HA ARG 30 HA ARG 30 24.323 -8.947 8.612 225 1HB ARG 30 1HB ARG 30 25.554 -10.800 7.056 226 2HB ARG 30 2HB ARG 30 26.682 -9.454 6.878 227 1HG ARG 30 1HG ARG 30 25.708 -10.056 9.630 228 2HG ARG 30 2HG ARG 30 26.856 -11.188 8.915 229 1HD ARG 30 1HD ARG 30 28.465 -9.734 9.626 230 2HD ARG 30 2HD ARG 30 27.939 -8.696 8.285 231 HE ARG 30 HE ARG 30 26.806 -7.331 9.856 232 1HH1 ARG 30 1HH1 ARG 30 27.630 -10.419 11.167 233 2HH1 ARG 30 2HH1 ARG 30 27.121 -10.017 12.772 234 1HH2 ARG 30 1HH2 ARG 30 26.135 -6.799 11.947 235 2HH2 ARG 30 2HH2 ARG 30 26.271 -7.975 13.211 236 H ARG 31 H ARG 31 25.081 -7.769 5.359 237 HA ARG 31 HA ARG 31 26.422 -5.357 6.459 238 1HB ARG 31 1HB ARG 31 26.703 -7.026 4.224 239 2HB ARG 31 2HB ARG 31 26.073 -5.512 3.577 240 1HG ARG 31 1HG ARG 31 27.902 -4.446 5.172 241 2HG ARG 31 2HG ARG 31 28.655 -6.034 5.000 242 1HD ARG 31 1HD ARG 31 27.910 -4.114 2.775 243 2HD ARG 31 2HD ARG 31 29.535 -4.682 3.206 244 HE ARG 31 HE ARG 31 28.416 -7.046 2.743 245 1HH1 ARG 31 1HH1 ARG 31 27.965 -4.075 1.011 246 2HH1 ARG 31 2HH1 ARG 31 27.532 -4.866 -0.463 247 1HH2 ARG 31 1HH2 ARG 31 27.860 -8.062 0.824 248 2HH2 ARG 31 2HH2 ARG 31 27.479 -7.112 -0.574 249 H GLU 32 H GLU 32 23.371 -6.295 4.956 250 HA GLU 32 HA GLU 32 22.643 -3.565 4.199 251 1HB GLU 32 1HB GLU 32 21.427 -6.295 4.203 252 2HB GLU 32 2HB GLU 32 20.335 -4.914 4.096 253 1HG GLU 32 1HG GLU 32 22.757 -5.139 2.310 254 2HG GLU 32 2HG GLU 32 21.221 -5.886 1.876 255 H LEU 33 H LEU 33 22.351 -5.503 7.098 256 HA LEU 33 HA LEU 33 20.473 -3.463 8.231 257 1HB LEU 33 1HB LEU 33 20.790 -6.410 8.380 258 2HB LEU 33 2HB LEU 33 20.312 -5.608 9.872 259 HG LEU 33 HG LEU 33 18.927 -5.056 7.247 260 1HD1 LEU 33 1HD1 LEU 33 18.515 -7.274 9.235 261 2HD1 LEU 33 2HD1 LEU 33 17.130 -6.603 8.371 262 3HD1 LEU 33 3HD1 LEU 33 18.459 -7.337 7.473 263 1HD2 LEU 33 1HD2 LEU 33 18.126 -4.715 10.155 264 2HD2 LEU 33 2HD2 LEU 33 18.623 -3.420 9.065 265 3HD2 LEU 33 3HD2 LEU 33 17.124 -4.298 8.766 266 HA PRO 34 HA PRO 34 23.267 -2.256 11.367 267 1HB PRO 34 1HB PRO 34 21.422 -3.227 13.487 268 2HB PRO 34 2HB PRO 34 22.052 -1.593 13.206 269 1HG PRO 34 1HG PRO 34 19.518 -2.267 12.660 270 2HG PRO 34 2HG PRO 34 20.413 -1.065 11.719 271 1HD PRO 34 1HD PRO 34 19.660 -3.837 11.004 272 2HD PRO 34 2HD PRO 34 19.908 -2.419 9.962 273 HA PRO 35 HA PRO 35 24.897 -5.934 13.230 274 1HB PRO 35 1HB PRO 35 25.224 -5.454 15.969 275 2HB PRO 35 2HB PRO 35 26.300 -4.872 14.686 276 1HG PRO 35 1HG PRO 35 24.157 -3.448 16.147 277 2HG PRO 35 2HG PRO 35 25.682 -2.836 15.491 278 1HD PRO 35 1HD PRO 35 23.311 -2.356 14.321 279 2HD PRO 35 2HD PRO 35 24.813 -2.529 13.390 280 H ASP 36 H ASP 36 22.368 -4.943 15.550 281 HA ASP 36 HA ASP 36 21.921 -7.545 16.674 282 1HB ASP 36 1HB ASP 36 21.014 -4.878 16.926 283 2HB ASP 36 2HB ASP 36 19.575 -5.855 16.630 284 H GLN 37 H GLN 37 20.346 -5.825 13.959 285 HA GLN 37 HA GLN 37 18.334 -7.836 13.479 286 1HB GLN 37 1HB GLN 37 19.476 -5.423 12.165 287 2HB GLN 37 2HB GLN 37 18.585 -6.537 11.127 288 1HG GLN 37 1HG GLN 37 17.020 -4.908 12.012 289 2HG GLN 37 2HG GLN 37 16.694 -6.463 12.779 290 2HE2 GLN 37 2HE2 GLN 37 15.865 -5.563 14.768 291 1HE2 GLN 37 1HE2 GLN 37 16.850 -4.709 15.854 292 H ALA 38 H ALA 38 21.498 -7.188 11.948 293 HA ALA 38 HA ALA 38 21.362 -9.240 9.974 294 1HB ALA 38 1HB ALA 38 23.373 -7.506 11.284 295 2HB ALA 38 2HB ALA 38 24.018 -8.959 10.522 296 3HB ALA 38 3HB ALA 38 23.091 -7.801 9.569 297 H GLN 39 H GLN 39 22.810 -9.286 13.252 298 HA GLN 39 HA GLN 39 23.732 -11.999 13.137 299 1HB GLN 39 1HB GLN 39 24.426 -10.165 14.713 300 2HB GLN 39 2HB GLN 39 22.876 -10.345 15.531 301 1HG GLN 39 1HG GLN 39 24.362 -12.868 15.130 302 2HG GLN 39 2HG GLN 39 25.132 -11.719 16.225 303 2HE2 GLN 39 2HE2 GLN 39 24.089 -14.130 17.274 304 1HE2 GLN 39 1HE2 GLN 39 22.719 -13.784 18.213 305 H TYR 40 H TYR 40 20.706 -10.595 14.450 306 HA TYR 40 HA TYR 40 19.645 -13.064 15.458 307 1HB TYR 40 1HB TYR 40 19.010 -10.495 15.715 308 2HB TYR 40 2HB TYR 40 17.899 -10.872 14.399 309 HD1 TYR 40 HD1 TYR 40 18.620 -11.288 17.936 310 HD2 TYR 40 HD2 TYR 40 16.225 -12.732 14.675 311 HE1 TYR 40 HE1 TYR 40 17.078 -12.373 19.548 312 HE2 TYR 40 HE2 TYR 40 14.683 -13.815 16.286 313 HH TYR 40 HH TYR 40 14.479 -14.488 18.463 314 H CYS 41 H CYS 41 19.224 -11.404 12.328 315 HA CYS 41 HA CYS 41 17.281 -13.126 11.192 316 1HB CYS 41 1HB CYS 41 19.532 -11.413 10.146 317 2HB CYS 41 2HB CYS 41 18.492 -12.306 9.037 318 HG CYS 41 HG CYS 41 17.323 -10.233 11.073 319 H ILE 42 H ILE 42 20.862 -13.315 10.919 320 HA ILE 42 HA ILE 42 20.976 -15.694 9.370 321 HB ILE 42 HB ILE 42 22.727 -14.100 11.171 322 1HG1 ILE 42 1HG1 ILE 42 23.906 -15.204 8.764 323 2HG1 ILE 42 2HG1 ILE 42 22.326 -14.505 8.413 324 1HG2 ILE 42 1HG2 ILE 42 23.128 -17.025 10.662 325 2HG2 ILE 42 2HG2 ILE 42 24.538 -15.967 10.625 326 3HG2 ILE 42 3HG2 ILE 42 23.551 -16.070 12.082 327 1HD1 ILE 42 1HD1 ILE 42 23.750 -12.765 10.208 328 2HD1 ILE 42 2HD1 ILE 42 24.770 -13.126 8.815 329 3HD1 ILE 42 3HD1 ILE 42 23.168 -12.428 8.577 330 H LYS 43 H LYS 43 20.221 -15.228 12.744 331 HA LYS 43 HA LYS 43 20.789 -17.999 13.522 332 1HB LYS 43 1HB LYS 43 20.868 -15.835 14.930 333 2HB LYS 43 2HB LYS 43 19.110 -15.965 14.996 334 1HG LYS 43 1HG LYS 43 19.182 -18.014 16.164 335 2HG LYS 43 2HG LYS 43 20.862 -18.309 15.719 336 1HD LYS 43 1HD LYS 43 21.242 -16.030 17.043 337 2HD LYS 43 2HD LYS 43 19.749 -16.522 17.842 338 1HE LYS 43 1HE LYS 43 20.739 -18.329 18.875 339 2HE LYS 43 2HE LYS 43 21.855 -18.618 17.525 340 1HZ LYS 43 1HZ LYS 43 22.084 -16.087 18.973 341 2HZ LYS 43 2HZ LYS 43 22.669 -17.480 19.745 342 3HZ LYS 43 3HZ LYS 43 23.293 -17.022 18.232 343 H ARG 44 H ARG 44 18.158 -16.348 12.011 344 HA ARG 44 HA ARG 44 16.298 -18.588 12.737 345 1HB ARG 44 1HB ARG 44 16.073 -15.668 12.403 346 2HB ARG 44 2HB ARG 44 14.773 -16.581 11.638 347 1HG ARG 44 1HG ARG 44 15.623 -17.252 14.443 348 2HG ARG 44 2HG ARG 44 14.529 -15.899 14.155 349 1HD ARG 44 1HD ARG 44 12.907 -17.520 14.270 350 2HD ARG 44 2HD ARG 44 13.388 -17.856 12.595 351 HE ARG 44 HE ARG 44 14.391 -19.844 13.367 352 1HH1 ARG 44 1HH1 ARG 44 14.044 -17.530 15.909 353 2HH1 ARG 44 2HH1 ARG 44 14.638 -18.598 17.136 354 1HH2 ARG 44 1HH2 ARG 44 15.174 -21.243 14.962 355 2HH2 ARG 44 2HH2 ARG 44 15.280 -20.693 16.601 356 H MET 45 H MET 45 16.812 -16.308 10.003 357 HA MET 45 HA MET 45 15.534 -17.468 7.912 358 1HB MET 45 1HB MET 45 17.573 -15.666 8.252 359 2HB MET 45 2HB MET 45 18.380 -16.935 7.329 360 1HG MET 45 1HG MET 45 17.032 -16.632 5.476 361 2HG MET 45 2HG MET 45 15.665 -16.087 6.438 362 1HE MET 45 1HE MET 45 15.443 -14.271 7.625 363 2HE MET 45 2HE MET 45 16.811 -13.282 8.121 364 3HE MET 45 3HE MET 45 15.689 -12.672 6.910 365 HA PRO 46 HA PRO 46 17.355 -21.600 8.277 366 1HB PRO 46 1HB PRO 46 14.968 -22.393 6.727 367 2HB PRO 46 2HB PRO 46 15.536 -22.992 8.297 368 1HG PRO 46 1HG PRO 46 13.363 -21.434 8.047 369 2HG PRO 46 2HG PRO 46 14.419 -21.386 9.467 370 1HD PRO 46 1HD PRO 46 14.223 -19.473 7.195 371 2HD PRO 46 2HD PRO 46 14.541 -19.163 8.916 372 H ALA 47 H ALA 47 17.165 -23.372 6.197 373 HA ALA 47 HA ALA 47 18.763 -22.116 4.119 374 1HB ALA 47 1HB ALA 47 17.703 -24.809 4.842 375 2HB ALA 47 2HB ALA 47 19.357 -24.320 4.468 376 3HB ALA 47 3HB ALA 47 18.194 -24.567 3.166 377 H TYR 48 H TYR 48 18.135 -21.693 1.958 378 HA TYR 48 HA TYR 48 15.539 -20.750 1.422 379 1HB TYR 48 1HB TYR 48 16.355 -20.488 -0.776 380 2HB TYR 48 2HB TYR 48 17.824 -20.504 0.195 381 HD1 TYR 48 HD1 TYR 48 17.312 -21.299 -2.830 382 HD2 TYR 48 HD2 TYR 48 17.772 -23.530 0.812 383 HE1 TYR 48 HE1 TYR 48 18.135 -23.246 -4.125 384 HE2 TYR 48 HE2 TYR 48 18.594 -25.476 -0.483 385 HH TYR 48 HH TYR 48 19.834 -25.523 -3.140 386 H SER 49 H SER 49 14.306 -21.804 -0.645 387 HA SER 49 HA SER 49 14.154 -24.734 -0.570 388 1HB SER 49 1HB SER 49 12.701 -23.153 1.282 389 2HB SER 49 2HB SER 49 11.531 -23.729 0.097 390 HG SER 49 HG SER 49 13.163 -25.152 1.875 391 H GLY 50 H GLY 50 14.601 -24.034 -2.887 392 1HA GLY 50 1HA GLY 50 12.862 -22.500 -4.475 393 2HA GLY 50 2HA GLY 50 12.181 -24.127 -4.443 394 HA PRO 51 HA PRO 51 15.114 -25.528 -7.344 395 1HB PRO 51 1HB PRO 51 13.881 -24.769 -9.734 396 2HB PRO 51 2HB PRO 51 13.521 -26.247 -8.821 397 1HG PRO 51 1HG PRO 51 12.059 -23.672 -8.905 398 2HG PRO 51 2HG PRO 51 11.440 -25.321 -8.729 399 1HD PRO 51 1HD PRO 51 11.593 -23.602 -6.657 400 2HD PRO 51 2HD PRO 51 11.797 -25.356 -6.460 401 H GLY 52 H GLY 52 17.026 -24.405 -7.504 402 1HA GLY 52 1HA GLY 52 17.025 -21.900 -9.115 403 2HA GLY 52 2HA GLY 52 18.434 -22.923 -8.832 404 H SER 53 H SER 53 19.831 -21.632 -7.698 405 HA SER 53 HA SER 53 19.141 -19.536 -5.960 406 1HB SER 53 1HB SER 53 18.156 -21.353 -4.628 407 2HB SER 53 2HB SER 53 19.687 -22.219 -4.662 408 HG SER 53 HG SER 53 19.046 -19.772 -3.392 409 H VAL 54 H VAL 54 21.264 -20.063 -4.003 410 HA VAL 54 HA VAL 54 23.696 -20.375 -5.690 411 HB VAL 54 HB VAL 54 24.520 -18.185 -4.861 412 1HG1 VAL 54 1HG1 VAL 54 23.181 -18.420 -7.001 413 2HG1 VAL 54 2HG1 VAL 54 21.767 -17.890 -6.089 414 3HG1 VAL 54 3HG1 VAL 54 23.149 -16.810 -6.281 415 1HG2 VAL 54 1HG2 VAL 54 21.764 -18.078 -3.600 416 2HG2 VAL 54 2HG2 VAL 54 23.315 -18.047 -2.761 417 3HG2 VAL 54 3HG2 VAL 54 22.824 -16.678 -3.760 418 HA PRO 55 HA PRO 55 25.382 -22.049 -2.022 419 1HB PRO 55 1HB PRO 55 27.927 -20.937 -1.915 420 2HB PRO 55 2HB PRO 55 27.469 -22.312 -2.936 421 1HG PRO 55 1HG PRO 55 27.795 -19.451 -3.647 422 2HG PRO 55 2HG PRO 55 28.150 -20.903 -4.597 423 1HD PRO 55 1HD PRO 55 25.971 -19.362 -5.036 424 2HD PRO 55 2HD PRO 55 25.989 -21.114 -5.332 425 H GLY 56 H GLY 56 23.779 -20.539 -0.850 426 1HA GLY 56 1HA GLY 56 25.125 -18.298 0.564 427 2HA GLY 56 2HA GLY 56 24.431 -19.598 1.533 428 H ALA 57 H ALA 57 22.099 -20.114 0.071 429 HA ALA 57 HA ALA 57 20.664 -17.491 0.000 430 1HB ALA 57 1HB ALA 57 18.944 -19.245 -1.079 431 2HB ALA 57 2HB ALA 57 20.258 -18.540 -2.019 432 3HB ALA 57 3HB ALA 57 20.433 -20.155 -1.331 433 H LEU 58 H LEU 58 19.700 -17.064 1.954 434 HA LEU 58 HA LEU 58 18.579 -19.347 3.531 435 1HB LEU 58 1HB LEU 58 19.408 -16.506 4.193 436 2HB LEU 58 2HB LEU 58 18.603 -17.563 5.349 437 HG LEU 58 HG LEU 58 20.981 -17.744 5.727 438 1HD1 LEU 58 1HD1 LEU 58 19.446 -19.846 5.576 439 2HD1 LEU 58 2HD1 LEU 58 20.340 -20.193 4.097 440 3HD1 LEU 58 3HD1 LEU 58 21.193 -20.082 5.636 441 1HD2 LEU 58 1HD2 LEU 58 21.321 -17.070 3.148 442 2HD2 LEU 58 2HD2 LEU 58 22.573 -17.905 4.066 443 3HD2 LEU 58 3HD2 LEU 58 21.511 -18.816 2.993 444 H ASP 59 H ASP 59 16.410 -18.963 4.514 445 HA ASP 59 HA ASP 59 14.720 -17.219 2.755 446 1HB ASP 59 1HB ASP 59 14.594 -19.968 3.735 447 2HB ASP 59 2HB ASP 59 13.098 -19.085 4.044 448 H TYR 60 H TYR 60 14.245 -15.356 3.866 449 HA TYR 60 HA TYR 60 14.104 -15.203 6.772 450 1HB TYR 60 1HB TYR 60 13.374 -12.862 6.183 451 2HB TYR 60 2HB TYR 60 14.869 -13.347 5.383 452 HD1 TYR 60 HD1 TYR 60 15.048 -13.259 3.045 453 HD2 TYR 60 HD2 TYR 60 11.162 -13.247 4.875 454 HE1 TYR 60 HE1 TYR 60 14.007 -12.858 0.830 455 HE2 TYR 60 HE2 TYR 60 10.121 -12.846 2.659 456 HH TYR 60 HH TYR 60 11.532 -13.398 -0.159 457 H ALA 61 H ALA 61 11.853 -15.832 4.176 458 HA ALA 61 HA ALA 61 9.398 -15.017 5.314 459 1HB ALA 61 1HB ALA 61 10.053 -17.493 3.679 460 2HB ALA 61 2HB ALA 61 8.463 -16.743 3.816 461 3HB ALA 61 3HB ALA 61 9.778 -15.883 3.014 462 H ALA 62 H ALA 62 11.301 -17.980 5.846 463 HA ALA 62 HA ALA 62 9.364 -19.279 7.542 464 1HB ALA 62 1HB ALA 62 10.902 -20.859 7.006 465 2HB ALA 62 2HB ALA 62 12.089 -19.630 6.573 466 3HB ALA 62 3HB ALA 62 11.929 -20.148 8.251 467 H PHE 63 H PHE 63 11.994 -17.030 8.093 468 HA PHE 63 HA PHE 63 11.974 -17.177 10.987 469 1HB PHE 63 1HB PHE 63 13.924 -16.412 9.808 470 2HB PHE 63 2HB PHE 63 12.991 -15.205 8.925 471 HD1 PHE 63 HD1 PHE 63 14.172 -13.236 9.631 472 HD2 PHE 63 HD2 PHE 63 12.592 -15.985 12.528 473 HE1 PHE 63 HE1 PHE 63 14.601 -11.586 11.431 474 HE2 PHE 63 HE2 PHE 63 13.020 -14.334 14.328 475 HZ PHE 63 HZ PHE 63 14.025 -12.134 13.779 476 H SER 64 H SER 64 10.347 -15.139 8.575 477 HA SER 64 HA SER 64 9.285 -13.154 10.321 478 1HB SER 64 1HB SER 64 7.985 -12.593 8.435 479 2HB SER 64 2HB SER 64 9.366 -13.421 7.722 480 HG SER 64 HG SER 64 7.511 -14.307 6.867 481 H SER 65 H SER 65 7.795 -16.203 9.158 482 HA SER 65 HA SER 65 5.382 -15.957 10.690 483 1HB SER 65 1HB SER 65 5.226 -18.398 10.155 484 2HB SER 65 2HB SER 65 5.649 -17.424 8.751 485 HG SER 65 HG SER 65 6.936 -19.432 9.333 486 H ALA 66 H ALA 66 8.458 -17.657 11.350 487 HA ALA 66 HA ALA 66 7.733 -18.858 13.823 488 1HB ALA 66 1HB ALA 66 10.248 -18.783 14.163 489 2HB ALA 66 2HB ALA 66 9.741 -19.451 12.611 490 3HB ALA 66 3HB ALA 66 10.344 -17.797 12.704 491 H LEU 67 H LEU 67 8.773 -15.569 13.052 492 HA LEU 67 HA LEU 67 9.349 -14.692 15.724 493 1HB LEU 67 1HB LEU 67 9.159 -13.671 13.045 494 2HB LEU 67 2HB LEU 67 8.305 -12.573 14.129 495 HG LEU 67 HG LEU 67 11.058 -13.623 14.791 496 1HD1 LEU 67 1HD1 LEU 67 10.270 -11.222 13.124 497 2HD1 LEU 67 2HD1 LEU 67 11.836 -11.352 13.925 498 3HD1 LEU 67 3HD1 LEU 67 11.378 -12.524 12.689 499 1HD2 LEU 67 1HD2 LEU 67 9.389 -11.244 15.663 500 2HD2 LEU 67 2HD2 LEU 67 9.849 -12.634 16.646 501 3HD2 LEU 67 3HD2 LEU 67 11.075 -11.481 16.123 502 H TYR 68 H TYR 68 6.347 -14.790 13.819 503 HA TYR 68 HA TYR 68 4.803 -13.456 15.946 504 1HB TYR 68 1HB TYR 68 4.271 -14.626 13.214 505 2HB TYR 68 2HB TYR 68 2.945 -14.097 14.248 506 HD1 TYR 68 HD1 TYR 68 6.338 -12.835 13.234 507 HD2 TYR 68 HD2 TYR 68 2.189 -11.929 13.888 508 HE1 TYR 68 HE1 TYR 68 6.743 -10.486 12.551 509 HE2 TYR 68 HE2 TYR 68 2.596 -9.579 13.204 510 HH TYR 68 HH TYR 68 5.198 -8.575 11.535 511 H GLY 69 H GLY 69 5.613 -16.697 14.955 512 1HA GLY 69 1HA GLY 69 3.886 -18.545 15.508 513 2HA GLY 69 2HA GLY 69 3.786 -17.741 17.076 514 H GLU 70 H GLU 70 5.074 -18.629 18.614 515 HA GLU 70 HA GLU 70 7.838 -19.371 18.110 516 1HB GLU 70 1HB GLU 70 5.950 -19.850 20.440 517 2HB GLU 70 2HB GLU 70 7.702 -20.056 20.500 518 1HG GLU 70 1HG GLU 70 8.017 -17.682 19.944 519 2HG GLU 70 2HG GLU 70 6.269 -17.465 19.842 520 H SER 71 H SER 71 5.084 -21.352 19.286 521 HA SER 71 HA SER 71 5.540 -23.492 17.396 522 1HB SER 71 1HB SER 71 7.342 -23.276 19.557 523 2HB SER 71 2HB SER 71 6.266 -24.608 19.971 524 HG SER 71 HG SER 71 7.706 -25.578 18.704 525 H ASP 72 H ASP 72 4.703 -23.258 20.881 526 HA ASP 72 HA ASP 72 2.336 -24.953 20.486 527 1HB ASP 72 1HB ASP 72 3.570 -23.456 22.816 528 2HB ASP 72 2HB ASP 72 2.121 -24.451 22.973 529 H LEU 73 H LEU 73 0.501 -24.036 19.646 530 HA LEU 73 HA LEU 73 -1.268 -22.497 19.345 531 1HB LEU 73 1HB LEU 73 -0.806 -22.687 21.967 532 2HB LEU 73 2HB LEU 73 -0.310 -21.007 21.760 533 HG LEU 73 HG LEU 73 -2.667 -21.149 20.307 534 1HD1 LEU 73 1HD1 LEU 73 -3.001 -23.427 21.364 535 2HD1 LEU 73 2HD1 LEU 73 -3.087 -22.613 22.927 536 3HD1 LEU 73 3HD1 LEU 73 -4.294 -22.271 21.686 537 1HD2 LEU 73 1HD2 LEU 73 -1.985 -20.240 23.105 538 2HD2 LEU 73 2HD2 LEU 73 -2.211 -19.258 21.658 539 3HD2 LEU 73 3HD2 LEU 73 -3.601 -20.008 22.442 540 H GLY 7 H GLY 7 12.684 7.516 1.408 541 1HA GLY 7 1HA GLY 7 13.967 5.507 0.088 542 2HA GLY 7 2HA GLY 7 12.594 6.332 -0.652 543 H LYS 8 H LYS 8 13.196 3.598 -1.149 544 HA LYS 8 HA LYS 8 10.713 2.342 -0.072 545 1HB LYS 8 1HB LYS 8 12.034 2.522 -2.591 546 2HB LYS 8 2HB LYS 8 12.059 0.825 -2.108 547 1HG LYS 8 1HG LYS 8 9.542 2.484 -1.925 548 2HG LYS 8 2HG LYS 8 9.987 1.638 -3.408 549 1HD LYS 8 1HD LYS 8 10.340 -0.357 -1.605 550 2HD LYS 8 2HD LYS 8 9.042 0.543 -0.820 551 1HE LYS 8 1HE LYS 8 8.171 0.502 -3.428 552 2HE LYS 8 2HE LYS 8 8.961 -1.080 -3.282 553 1HZ LYS 8 1HZ LYS 8 7.777 -1.371 -1.150 554 2HZ LYS 8 2HZ LYS 8 6.922 0.067 -1.449 555 3HZ LYS 8 3HZ LYS 8 6.724 -1.272 -2.475 556 H LYS 9 H LYS 9 14.152 1.529 -0.691 557 HA LYS 9 HA LYS 9 14.139 -1.011 0.613 558 1HB LYS 9 1HB LYS 9 15.873 0.468 -0.859 559 2HB LYS 9 2HB LYS 9 16.565 0.703 0.747 560 1HG LYS 9 1HG LYS 9 16.184 -1.930 0.902 561 2HG LYS 9 2HG LYS 9 16.299 -1.806 -0.854 562 1HD LYS 9 1HD LYS 9 18.353 -0.220 0.468 563 2HD LYS 9 2HD LYS 9 18.443 -1.919 0.933 564 1HE LYS 9 1HE LYS 9 18.129 -1.139 -1.969 565 2HE LYS 9 2HE LYS 9 19.730 -1.210 -1.208 566 1HZ LYS 9 1HZ LYS 9 19.105 -3.450 -0.373 567 2HZ LYS 9 2HZ LYS 9 17.706 -3.381 -1.330 568 3HZ LYS 9 3HZ LYS 9 19.238 -3.369 -2.065 569 H ALA 10 H ALA 10 14.961 2.244 1.858 570 HA ALA 10 HA ALA 10 15.721 1.512 4.486 571 1HB ALA 10 1HB ALA 10 15.239 3.852 4.979 572 2HB ALA 10 2HB ALA 10 15.913 3.749 3.353 573 3HB ALA 10 3HB ALA 10 14.178 3.962 3.576 574 H GLU 11 H GLU 11 12.500 2.012 3.079 575 HA GLU 11 HA GLU 11 11.003 1.945 5.527 576 1HB GLU 11 1HB GLU 11 10.547 2.354 2.843 577 2HB GLU 11 2HB GLU 11 9.770 0.793 3.108 578 1HG GLU 11 1HG GLU 11 8.313 1.665 4.755 579 2HG GLU 11 2HG GLU 11 9.295 3.115 4.975 580 H ALA 12 H ALA 12 11.863 -0.630 3.195 581 HA ALA 12 HA ALA 12 10.527 -2.775 4.534 582 1HB ALA 12 1HB ALA 12 11.342 -2.855 2.223 583 2HB ALA 12 2HB ALA 12 13.006 -2.679 2.783 584 3HB ALA 12 3HB ALA 12 12.100 -4.146 3.155 585 H VAL 13 H VAL 13 13.816 -1.450 4.871 586 HA VAL 13 HA VAL 13 14.858 -3.435 6.644 587 HB VAL 13 HB VAL 13 15.405 -0.510 6.108 588 1HG1 VAL 13 1HG1 VAL 13 16.580 -2.330 8.182 589 2HG1 VAL 13 2HG1 VAL 13 17.640 -1.185 7.360 590 3HG1 VAL 13 3HG1 VAL 13 16.248 -0.600 8.272 591 1HG2 VAL 13 1HG2 VAL 13 15.969 -2.174 4.360 592 2HG2 VAL 13 2HG2 VAL 13 17.421 -1.437 5.036 593 3HG2 VAL 13 3HG2 VAL 13 16.945 -3.062 5.529 594 H ALA 14 H ALA 14 13.142 -0.368 7.292 595 HA ALA 14 HA ALA 14 13.323 -0.378 10.126 596 1HB ALA 14 1HB ALA 14 12.551 1.555 8.954 597 2HB ALA 14 2HB ALA 14 11.290 0.638 8.128 598 3HB ALA 14 3HB ALA 14 11.151 0.972 9.854 599 H THR 15 H THR 15 10.960 -1.923 7.951 600 HA THR 15 HA THR 15 9.158 -2.883 9.947 601 HB THR 15 HB THR 15 9.805 -4.394 7.430 602 HG1 THR 15 HG1 THR 15 8.273 -2.053 7.345 603 1HG2 THR 15 1HG2 THR 15 7.892 -4.960 9.008 604 2HG2 THR 15 2HG2 THR 15 7.163 -3.425 8.539 605 3HG2 THR 15 3HG2 THR 15 7.430 -4.680 7.329 606 H VAL 16 H VAL 16 11.946 -4.497 8.374 607 HA VAL 16 HA VAL 16 11.762 -6.949 9.842 608 HB VAL 16 HB VAL 16 14.162 -5.537 8.632 609 1HG1 VAL 16 1HG1 VAL 16 13.601 -8.454 9.244 610 2HG1 VAL 16 2HG1 VAL 16 14.991 -7.873 8.328 611 3HG1 VAL 16 3HG1 VAL 16 14.808 -7.434 10.026 612 1HG2 VAL 16 1HG2 VAL 16 11.820 -6.964 7.484 613 2HG2 VAL 16 2HG2 VAL 16 12.823 -5.697 6.776 614 3HG2 VAL 16 3HG2 VAL 16 13.391 -7.366 6.793 615 H VAL 17 H VAL 17 13.657 -3.976 10.433 616 HA VAL 17 HA VAL 17 15.049 -4.895 12.755 617 HB VAL 17 HB VAL 17 14.105 -2.112 11.994 618 1HG1 VAL 17 1HG1 VAL 17 15.724 -3.164 14.166 619 2HG1 VAL 17 2HG1 VAL 17 16.654 -2.047 13.167 620 3HG1 VAL 17 3HG1 VAL 17 15.142 -1.519 13.906 621 1HG2 VAL 17 1HG2 VAL 17 15.763 -3.891 10.575 622 2HG2 VAL 17 2HG2 VAL 17 15.599 -2.156 10.302 623 3HG2 VAL 17 3HG2 VAL 17 16.862 -2.765 11.371 624 H ALA 18 H ALA 18 12.029 -2.982 12.474 625 HA ALA 18 HA ALA 18 11.483 -2.825 15.276 626 1HB ALA 18 1HB ALA 18 9.944 -2.593 12.705 627 2HB ALA 18 2HB ALA 18 10.309 -1.345 13.896 628 3HB ALA 18 3HB ALA 18 9.071 -2.554 14.238 629 H ALA 19 H ALA 19 10.750 -5.301 12.855 630 HA ALA 19 HA ALA 19 8.860 -6.804 14.422 631 1HB ALA 19 1HB ALA 19 8.791 -7.930 12.463 632 2HB ALA 19 2HB ALA 19 10.038 -6.833 11.869 633 3HB ALA 19 3HB ALA 19 10.492 -8.374 12.599 634 H VAL 20 H VAL 20 12.394 -7.137 13.958 635 HA VAL 20 HA VAL 20 12.698 -9.448 15.644 636 HB VAL 20 HB VAL 20 14.605 -7.227 14.841 637 1HG1 VAL 20 1HG1 VAL 20 14.954 -9.826 16.284 638 2HG1 VAL 20 2HG1 VAL 20 16.205 -9.333 15.143 639 3HG1 VAL 20 3HG1 VAL 20 15.801 -8.296 16.511 640 1HG2 VAL 20 1HG2 VAL 20 13.344 -8.713 13.084 641 2HG2 VAL 20 2HG2 VAL 20 15.087 -8.488 12.924 642 3HG2 VAL 20 3HG2 VAL 20 14.450 -9.976 13.625 643 H ASP 21 H ASP 21 13.039 -5.947 16.272 644 HA ASP 21 HA ASP 21 13.911 -6.174 18.995 645 1HB ASP 21 1HB ASP 21 13.818 -4.202 17.254 646 2HB ASP 21 2HB ASP 21 12.220 -3.919 17.945 647 H GLN 22 H GLN 22 10.704 -6.178 17.504 648 HA GLN 22 HA GLN 22 9.147 -5.732 19.865 649 1HB GLN 22 1HB GLN 22 8.652 -5.878 17.246 650 2HB GLN 22 2HB GLN 22 8.223 -7.537 17.665 651 1HG GLN 22 1HG GLN 22 6.226 -6.164 17.830 652 2HG GLN 22 2HG GLN 22 6.719 -6.633 19.458 653 2HE2 GLN 22 2HE2 GLN 22 5.177 -4.417 19.476 654 1HE2 GLN 22 1HE2 GLN 22 6.093 -3.002 19.667 655 H ALA 23 H ALA 23 10.103 -8.798 18.262 656 HA ALA 23 HA ALA 23 8.909 -10.533 20.209 657 1HB ALA 23 1HB ALA 23 9.458 -11.791 18.402 658 2HB ALA 23 2HB ALA 23 11.080 -11.866 19.087 659 3HB ALA 23 3HB ALA 23 10.687 -10.637 17.885 660 H ARG 24 H ARG 24 12.110 -9.017 20.003 661 HA ARG 24 HA ARG 24 13.363 -10.520 22.105 662 1HB ARG 24 1HB ARG 24 14.098 -8.697 20.220 663 2HB ARG 24 2HB ARG 24 14.124 -7.689 21.668 664 1HG ARG 24 1HG ARG 24 15.369 -9.922 22.601 665 2HG ARG 24 2HG ARG 24 15.880 -9.949 20.912 666 1HD ARG 24 1HD ARG 24 17.532 -8.589 21.887 667 2HD ARG 24 2HD ARG 24 16.360 -7.375 21.339 668 HE ARG 24 HE ARG 24 15.760 -6.999 23.600 669 1HH1 ARG 24 1HH1 ARG 24 17.577 -9.913 23.198 670 2HH1 ARG 24 2HH1 ARG 24 17.740 -10.195 24.898 671 1HH2 ARG 24 1HH2 ARG 24 15.968 -7.364 25.818 672 2HH2 ARG 24 2HH2 ARG 24 16.831 -8.757 26.379 673 H VAL 25 H VAL 25 11.433 -7.528 22.113 674 HA VAL 25 HA VAL 25 11.919 -6.944 24.914 675 HB VAL 25 HB VAL 25 11.157 -5.472 22.871 676 1HG1 VAL 25 1HG1 VAL 25 8.969 -7.072 22.924 677 2HG1 VAL 25 2HG1 VAL 25 8.417 -5.765 23.971 678 3HG1 VAL 25 3HG1 VAL 25 8.938 -5.414 22.324 679 1HG2 VAL 25 1HG2 VAL 25 11.554 -4.676 25.192 680 2HG2 VAL 25 2HG2 VAL 25 10.198 -3.843 24.430 681 3HG2 VAL 25 3HG2 VAL 25 9.900 -5.121 25.610 682 H ARG 26 H ARG 26 9.752 -9.033 23.210 683 HA ARG 26 HA ARG 26 7.989 -10.424 23.956 684 1HB ARG 26 1HB ARG 26 10.132 -10.948 25.364 685 2HB ARG 26 2HB ARG 26 9.262 -10.148 26.674 686 1HG ARG 26 1HG ARG 26 7.798 -11.869 26.917 687 2HG ARG 26 2HG ARG 26 7.650 -12.108 25.175 688 1HD ARG 26 1HD ARG 26 10.290 -12.838 26.320 689 2HD ARG 26 2HD ARG 26 8.932 -13.875 26.799 690 HE ARG 26 HE ARG 26 8.929 -13.246 23.950 691 1HH1 ARG 26 1HH1 ARG 26 10.146 -15.296 26.450 692 2HH1 ARG 26 2HH1 ARG 26 10.438 -16.633 25.388 693 1HH2 ARG 26 1HH2 ARG 26 9.309 -14.982 22.558 694 2HH2 ARG 26 2HH2 ARG 26 9.966 -16.456 23.187 695 H GLU 27 H GLU 27 6.965 -7.968 23.745 696 HA GLU 27 HA GLU 27 5.782 -7.198 26.375 697 1HB GLU 27 1HB GLU 27 6.493 -5.905 23.817 698 2HB GLU 27 2HB GLU 27 4.958 -5.365 24.499 699 1HG GLU 27 1HG GLU 27 7.245 -5.608 26.388 700 2HG GLU 27 2HG GLU 27 7.316 -4.285 25.225 701 HA PRO 28 HA PRO 28 2.120 -9.143 24.770 702 1HB PRO 28 1HB PRO 28 1.064 -8.680 27.501 703 2HB PRO 28 2HB PRO 28 1.251 -10.202 26.611 704 1HG PRO 28 1HG PRO 28 2.841 -9.544 28.663 705 2HG PRO 28 2HG PRO 28 3.416 -10.485 27.278 706 1HD PRO 28 1HD PRO 28 3.896 -7.628 27.947 707 2HD PRO 28 2HD PRO 28 4.963 -8.803 27.147 708 H ARG 29 H ARG 29 1.813 -6.357 27.003 709 HA ARG 29 HA ARG 29 -0.759 -5.492 26.067 710 1HB ARG 29 1HB ARG 29 1.567 -4.329 27.571 711 2HB ARG 29 2HB ARG 29 0.247 -3.267 27.079 712 1HG ARG 29 1HG ARG 29 -1.370 -4.755 28.210 713 2HG ARG 29 2HG ARG 29 -0.045 -5.802 28.719 714 1HD ARG 29 1HD ARG 29 0.799 -3.289 29.552 715 2HD ARG 29 2HD ARG 29 -0.944 -3.270 29.885 716 HE ARG 29 HE ARG 29 0.995 -4.913 31.260 717 1HH1 ARG 29 1HH1 ARG 29 -2.198 -4.839 29.942 718 2HH1 ARG 29 2HH1 ARG 29 -2.814 -6.036 31.032 719 1HH2 ARG 29 1HH2 ARG 29 0.200 -6.471 32.687 720 2HH2 ARG 29 2HH2 ARG 29 -1.459 -6.957 32.586 No H/Q in entry = 720 Start of MODEL 9 1 H MET 1 H MET 1 -1.383 0.842 -1.469 2 HA MET 1 HA MET 1 0.880 0.208 -2.608 3 1HB MET 1 1HB MET 1 1.496 1.839 -0.243 4 2HB MET 1 2HB MET 1 2.499 0.392 -0.368 5 1HG MET 1 1HG MET 1 3.694 1.306 -2.040 6 2HG MET 1 2HG MET 1 2.227 1.615 -2.968 7 1HE MET 1 1HE MET 1 0.690 3.372 -2.664 8 2HE MET 1 2HE MET 1 1.160 5.047 -2.382 9 3HE MET 1 3HE MET 1 1.850 4.148 -3.741 10 H ALA 2 H ALA 2 0.593 -0.229 0.938 11 HA ALA 2 HA ALA 2 -0.190 -3.070 0.509 12 1HB ALA 2 1HB ALA 2 2.338 -1.997 1.752 13 2HB ALA 2 2HB ALA 2 2.153 -3.298 0.576 14 3HB ALA 2 3HB ALA 2 1.695 -3.559 2.258 15 H ASP 3 H ASP 3 1.166 -1.708 3.461 16 HA ASP 3 HA ASP 3 0.183 -1.422 5.595 17 1HB ASP 3 1HB ASP 3 -0.955 0.229 3.732 18 2HB ASP 3 2HB ASP 3 -2.380 -0.598 4.365 19 H THR 4 H THR 4 -2.135 -1.905 6.751 20 HA THR 4 HA THR 4 -3.425 -3.729 7.558 21 HB THR 4 HB THR 4 -4.427 -4.693 5.112 22 HG1 THR 4 HG1 THR 4 -4.456 -3.008 3.776 23 1HG2 THR 4 1HG2 THR 4 -5.479 -3.711 7.332 24 2HG2 THR 4 2HG2 THR 4 -5.552 -2.227 6.382 25 3HG2 THR 4 3HG2 THR 4 -6.384 -3.677 5.819 26 H ASP 5 H ASP 5 -0.852 -4.608 7.541 27 HA ASP 5 HA ASP 5 -1.137 -7.452 6.908 28 1HB ASP 5 1HB ASP 5 0.403 -5.526 5.212 29 2HB ASP 5 2HB ASP 5 1.071 -7.142 5.443 30 H THR 6 H THR 6 0.171 -8.610 8.301 31 HA THR 6 HA THR 6 2.183 -7.065 9.894 32 HB THR 6 HB THR 6 0.555 -9.573 10.412 33 HG1 THR 6 HG1 THR 6 -0.553 -8.291 11.758 34 1HG2 THR 6 1HG2 THR 6 3.080 -9.000 11.438 35 2HG2 THR 6 2HG2 THR 6 1.973 -8.438 12.690 36 3HG2 THR 6 3HG2 THR 6 1.902 -10.111 12.137 37 H ALA 7 H ALA 7 1.775 -10.536 9.140 38 HA ALA 7 HA ALA 7 4.580 -11.100 9.073 39 1HB ALA 7 1HB ALA 7 2.994 -12.860 9.430 40 2HB ALA 7 2HB ALA 7 2.093 -12.435 7.974 41 3HB ALA 7 3HB ALA 7 3.687 -13.176 7.839 42 H GLU 8 H GLU 8 2.232 -10.253 6.561 43 HA GLU 8 HA GLU 8 3.849 -10.651 4.256 44 1HB GLU 8 1HB GLU 8 1.307 -9.740 4.907 45 2HB GLU 8 2HB GLU 8 2.073 -8.311 4.213 46 1HG GLU 8 1HG GLU 8 2.193 -9.228 2.129 47 2HG GLU 8 2HG GLU 8 2.562 -10.837 2.751 48 H GLN 9 H GLN 9 3.632 -7.958 6.550 49 HA GLN 9 HA GLN 9 5.128 -6.015 5.099 50 1HB GLN 9 1HB GLN 9 3.961 -6.403 7.659 51 2HB GLN 9 2HB GLN 9 5.632 -5.914 7.937 52 1HG GLN 9 1HG GLN 9 5.364 -3.908 6.682 53 2HG GLN 9 2HG GLN 9 3.838 -4.459 5.990 54 2HE2 GLN 9 2HE2 GLN 9 3.893 -1.982 7.331 55 1HE2 GLN 9 1HE2 GLN 9 3.046 -2.115 8.796 56 H VAL 10 H VAL 10 6.239 -8.527 7.409 57 HA VAL 10 HA VAL 10 9.020 -7.805 7.307 58 HB VAL 10 HB VAL 10 7.609 -10.435 7.870 59 1HG1 VAL 10 1HG1 VAL 10 10.406 -9.765 7.684 60 2HG1 VAL 10 2HG1 VAL 10 10.006 -10.151 9.358 61 3HG1 VAL 10 3HG1 VAL 10 9.669 -11.318 8.080 62 1HG2 VAL 10 1HG2 VAL 10 8.101 -7.938 9.406 63 2HG2 VAL 10 2HG2 VAL 10 6.800 -9.117 9.566 64 3HG2 VAL 10 3HG2 VAL 10 8.381 -9.447 10.274 65 H ILE 11 H ILE 11 7.067 -10.130 5.439 66 HA ILE 11 HA ILE 11 9.225 -11.235 3.897 67 HB ILE 11 HB ILE 11 6.277 -10.880 3.250 68 1HG1 ILE 11 1HG1 ILE 11 7.703 -13.199 4.590 69 2HG1 ILE 11 2HG1 ILE 11 6.769 -11.978 5.456 70 1HG2 ILE 11 1HG2 ILE 11 8.457 -12.666 2.156 71 2HG2 ILE 11 2HG2 ILE 11 6.747 -13.058 1.974 72 3HG2 ILE 11 3HG2 ILE 11 7.392 -11.578 1.265 73 1HD1 ILE 11 1HD1 ILE 11 5.407 -13.268 3.155 74 2HD1 ILE 11 2HD1 ILE 11 5.690 -14.294 4.563 75 3HD1 ILE 11 3HD1 ILE 11 4.762 -12.803 4.730 76 H ALA 12 H ALA 12 6.881 -8.618 3.206 77 HA ALA 12 HA ALA 12 7.837 -7.906 0.624 78 1HB ALA 12 1HB ALA 12 5.740 -7.124 1.728 79 2HB ALA 12 2HB ALA 12 6.709 -6.161 2.844 80 3HB ALA 12 3HB ALA 12 6.699 -5.773 1.124 81 H SER 13 H SER 13 8.780 -6.719 3.861 82 HA SER 13 HA SER 13 10.799 -4.887 2.972 83 1HB SER 13 1HB SER 13 11.630 -5.538 5.415 84 2HB SER 13 2HB SER 13 10.135 -4.632 5.194 85 HG SER 13 HG SER 13 9.314 -6.251 6.267 86 H PHE 14 H PHE 14 10.907 -8.328 3.923 87 HA PHE 14 HA PHE 14 13.740 -8.688 3.627 88 1HB PHE 14 1HB PHE 14 11.261 -10.309 3.824 89 2HB PHE 14 2HB PHE 14 12.636 -11.122 3.076 90 HD1 PHE 14 HD1 PHE 14 11.102 -11.116 6.022 91 HD2 PHE 14 HD2 PHE 14 14.939 -9.987 4.455 92 HE1 PHE 14 HE1 PHE 14 12.116 -11.458 8.260 93 HE2 PHE 14 HE2 PHE 14 15.953 -10.328 6.692 94 HZ PHE 14 HZ PHE 14 14.542 -11.064 8.595 95 H ARG 15 H ARG 15 11.013 -9.070 1.367 96 HA ARG 15 HA ARG 15 12.400 -10.107 -0.876 97 1HB ARG 15 1HB ARG 15 9.869 -8.976 -0.182 98 2HB ARG 15 2HB ARG 15 10.421 -8.170 -1.650 99 1HG ARG 15 1HG ARG 15 9.241 -10.086 -2.412 100 2HG ARG 15 2HG ARG 15 10.945 -10.515 -2.551 101 1HD ARG 15 1HD ARG 15 9.326 -11.190 -0.078 102 2HD ARG 15 2HD ARG 15 9.451 -12.292 -1.464 103 HE ARG 15 HE ARG 15 11.559 -11.772 0.439 104 1HH1 ARG 15 1HH1 ARG 15 10.831 -12.348 -2.889 105 2HH1 ARG 15 2HH1 ARG 15 12.417 -12.927 -3.269 106 1HH2 ARG 15 1HH2 ARG 15 13.637 -12.516 -0.049 107 2HH2 ARG 15 2HH2 ARG 15 14.003 -13.023 -1.664 108 H ILE 16 H ILE 16 11.950 -6.745 0.211 109 HA ILE 16 HA ILE 16 13.224 -5.452 -1.994 110 HB ILE 16 HB ILE 16 12.885 -4.794 0.946 111 1HG1 ILE 16 1HG1 ILE 16 11.502 -3.692 -1.517 112 2HG1 ILE 16 2HG1 ILE 16 10.860 -5.022 -0.550 113 1HG2 ILE 16 1HG2 ILE 16 14.589 -3.525 -0.975 114 2HG2 ILE 16 2HG2 ILE 16 13.233 -2.449 -0.638 115 3HG2 ILE 16 3HG2 ILE 16 14.249 -3.027 0.681 116 1HD1 ILE 16 1HD1 ILE 16 11.556 -2.299 0.584 117 2HD1 ILE 16 2HD1 ILE 16 9.932 -2.764 0.076 118 3HD1 ILE 16 3HD1 ILE 16 10.715 -3.611 1.410 119 H LEU 17 H LEU 17 14.553 -6.609 1.129 120 HA LEU 17 HA LEU 17 17.255 -5.757 0.657 121 1HB LEU 17 1HB LEU 17 16.147 -8.062 2.298 122 2HB LEU 17 2HB LEU 17 17.733 -7.320 2.509 123 HG LEU 17 HG LEU 17 15.022 -6.078 2.991 124 1HD1 LEU 17 1HD1 LEU 17 16.073 -7.388 4.824 125 2HD1 LEU 17 2HD1 LEU 17 17.499 -6.356 4.721 126 3HD1 LEU 17 3HD1 LEU 17 15.952 -5.675 5.226 127 1HD2 LEU 17 1HD2 LEU 17 17.702 -4.802 2.495 128 2HD2 LEU 17 2HD2 LEU 17 16.113 -4.298 1.922 129 3HD2 LEU 17 3HD2 LEU 17 16.565 -4.042 3.607 130 H ALA 18 H ALA 18 15.559 -8.829 0.004 131 HA ALA 18 HA ALA 18 17.909 -10.186 -1.032 132 1HB ALA 18 1HB ALA 18 15.074 -10.882 -1.748 133 2HB ALA 18 2HB ALA 18 16.406 -11.955 -1.318 134 3HB ALA 18 3HB ALA 18 15.593 -11.014 -0.068 135 H SER 19 H SER 19 16.205 -7.610 -2.265 136 HA SER 19 HA SER 19 16.067 -6.657 -4.422 137 1HB SER 19 1HB SER 19 18.543 -7.892 -4.051 138 2HB SER 19 2HB SER 19 18.008 -8.479 -5.623 139 HG SER 19 HG SER 19 18.274 -6.547 -6.405 140 H ASP 20 H ASP 20 14.022 -8.407 -4.050 141 HA ASP 20 HA ASP 20 12.484 -9.757 -5.236 142 1HB ASP 20 1HB ASP 20 14.240 -8.418 -7.248 143 2HB ASP 20 2HB ASP 20 13.187 -9.710 -7.827 144 H LYS 21 H LYS 21 14.571 -11.183 -3.950 145 HA LYS 21 HA LYS 21 15.290 -13.297 -5.955 146 1HB LYS 21 1HB LYS 21 16.568 -12.124 -3.520 147 2HB LYS 21 2HB LYS 21 16.898 -13.815 -3.890 148 1HG LYS 21 1HG LYS 21 17.077 -12.290 -6.315 149 2HG LYS 21 2HG LYS 21 18.077 -11.520 -5.083 150 1HD LYS 21 1HD LYS 21 19.531 -13.278 -4.973 151 2HD LYS 21 2HD LYS 21 18.256 -14.475 -5.204 152 1HE LYS 21 1HE LYS 21 18.819 -14.653 -7.388 153 2HE LYS 21 2HE LYS 21 18.502 -12.921 -7.615 154 1HZ LYS 21 1HZ LYS 21 20.942 -13.739 -6.205 155 2HZ LYS 21 2HZ LYS 21 20.911 -13.866 -7.900 156 3HZ LYS 21 3HZ LYS 21 20.657 -12.361 -7.152 157 HA PRO 22 HA PRO 22 12.527 -16.003 -3.886 158 1HB PRO 22 1HB PRO 22 13.960 -18.378 -4.213 159 2HB PRO 22 2HB PRO 22 12.830 -17.697 -5.399 160 1HG PRO 22 1HG PRO 22 15.789 -17.587 -5.326 161 2HG PRO 22 2HG PRO 22 14.692 -17.675 -6.713 162 1HD PRO 22 1HD PRO 22 15.951 -15.397 -6.002 163 2HD PRO 22 2HD PRO 22 14.340 -15.406 -6.751 164 H TYR 23 H TYR 23 15.778 -15.424 -2.988 165 HA TYR 23 HA TYR 23 15.191 -16.308 -0.212 166 1HB TYR 23 1HB TYR 23 17.484 -17.477 -0.265 167 2HB TYR 23 2HB TYR 23 16.173 -18.278 -1.133 168 HD1 TYR 23 HD1 TYR 23 16.408 -18.791 -3.413 169 HD2 TYR 23 HD2 TYR 23 18.976 -15.846 -1.631 170 HE1 TYR 23 HE1 TYR 23 17.718 -18.662 -5.515 171 HE2 TYR 23 HE2 TYR 23 20.287 -15.716 -3.733 172 HH TYR 23 HH TYR 23 19.330 -16.558 -6.548 173 H ILE 24 H ILE 24 17.077 -15.583 1.255 174 HA ILE 24 HA ILE 24 18.280 -13.051 0.186 175 HB ILE 24 HB ILE 24 16.275 -13.138 1.929 176 1HG1 ILE 24 1HG1 ILE 24 17.423 -11.095 1.153 177 2HG1 ILE 24 2HG1 ILE 24 17.094 -11.014 2.884 178 1HG2 ILE 24 1HG2 ILE 24 18.723 -13.507 3.682 179 2HG2 ILE 24 2HG2 ILE 24 17.115 -13.073 4.260 180 3HG2 ILE 24 3HG2 ILE 24 17.387 -14.647 3.514 181 1HD1 ILE 24 1HD1 ILE 24 19.564 -12.228 2.827 182 2HD1 ILE 24 2HD1 ILE 24 19.672 -11.105 1.472 183 3HD1 ILE 24 3HD1 ILE 24 19.294 -10.504 3.086 184 H LEU 25 H LEU 25 20.455 -12.661 0.789 185 HA LEU 25 HA LEU 25 21.920 -15.020 1.839 186 1HB LEU 25 1HB LEU 25 22.498 -12.542 0.261 187 2HB LEU 25 2HB LEU 25 23.831 -13.291 1.142 188 HG LEU 25 HG LEU 25 22.242 -15.289 -0.245 189 1HD1 LEU 25 1HD1 LEU 25 21.849 -13.343 -1.776 190 2HD1 LEU 25 2HD1 LEU 25 23.596 -13.190 -1.965 191 3HD1 LEU 25 3HD1 LEU 25 22.771 -14.644 -2.529 192 1HD2 LEU 25 1HD2 LEU 25 24.858 -14.893 0.600 193 2HD2 LEU 25 2HD2 LEU 25 24.298 -16.231 -0.404 194 3HD2 LEU 25 3HD2 LEU 25 24.984 -14.790 -1.156 195 H ALA 26 H ALA 26 23.226 -14.903 3.714 196 HA ALA 26 HA ALA 26 22.377 -13.200 5.846 197 1HB ALA 26 1HB ALA 26 25.113 -14.414 5.801 198 2HB ALA 26 2HB ALA 26 23.883 -14.475 7.065 199 3HB ALA 26 3HB ALA 26 23.733 -15.502 5.638 200 H GLU 27 H GLU 27 25.024 -12.936 3.509 201 HA GLU 27 HA GLU 27 26.365 -10.715 4.774 202 1HB GLU 27 1HB GLU 27 26.272 -11.921 2.001 203 2HB GLU 27 2HB GLU 27 27.328 -10.568 2.400 204 1HG GLU 27 1HG GLU 27 28.198 -11.992 4.335 205 2HG GLU 27 2HG GLU 27 27.355 -13.348 3.583 206 H GLU 28 H GLU 28 23.756 -11.000 2.395 207 HA GLU 28 HA GLU 28 23.693 -8.253 1.563 208 1HB GLU 28 1HB GLU 28 22.629 -10.391 0.572 209 2HB GLU 28 2HB GLU 28 21.335 -10.134 1.743 210 1HG GLU 28 1HG GLU 28 20.459 -8.893 0.022 211 2HG GLU 28 2HG GLU 28 21.485 -7.646 0.730 212 H LEU 29 H LEU 29 21.694 -10.016 3.977 213 HA LEU 29 HA LEU 29 20.307 -7.661 4.896 214 1HB LEU 29 1HB LEU 29 19.587 -9.161 6.696 215 2HB LEU 29 2HB LEU 29 19.584 -10.045 5.170 216 HG LEU 29 HG LEU 29 22.019 -10.707 5.826 217 1HD1 LEU 29 1HD1 LEU 29 21.304 -9.094 8.038 218 2HD1 LEU 29 2HD1 LEU 29 21.336 -10.755 8.629 219 3HD1 LEU 29 3HD1 LEU 29 22.763 -10.068 7.853 220 1HD2 LEU 29 1HD2 LEU 29 19.406 -11.751 6.804 221 2HD2 LEU 29 2HD2 LEU 29 20.625 -12.536 5.801 222 3HD2 LEU 29 3HD2 LEU 29 20.856 -12.427 7.546 223 H ARG 30 H ARG 30 23.322 -9.257 5.806 224 HA ARG 30 HA ARG 30 23.892 -7.978 8.263 225 1HB ARG 30 1HB ARG 30 25.222 -9.467 6.165 226 2HB ARG 30 2HB ARG 30 26.277 -8.185 6.757 227 1HG ARG 30 1HG ARG 30 25.675 -8.981 9.116 228 2HG ARG 30 2HG ARG 30 24.994 -10.414 8.342 229 1HD ARG 30 1HD ARG 30 27.218 -10.779 7.206 230 2HD ARG 30 2HD ARG 30 27.873 -9.460 8.196 231 HE ARG 30 HE ARG 30 27.196 -12.123 9.161 232 1HH1 ARG 30 1HH1 ARG 30 27.373 -8.756 9.915 233 2HH1 ARG 30 2HH1 ARG 30 27.570 -9.016 11.615 234 1HH2 ARG 30 1HH2 ARG 30 27.457 -12.473 11.375 235 2HH2 ARG 30 2HH2 ARG 30 27.622 -11.117 12.440 236 H ARG 31 H ARG 31 24.242 -6.832 4.923 237 HA ARG 31 HA ARG 31 25.483 -4.294 5.833 238 1HB ARG 31 1HB ARG 31 25.856 -5.884 3.682 239 2HB ARG 31 2HB ARG 31 24.653 -4.780 3.015 240 1HG ARG 31 1HG ARG 31 26.445 -3.445 2.579 241 2HG ARG 31 2HG ARG 31 26.327 -3.029 4.290 242 1HD ARG 31 1HD ARG 31 28.131 -4.375 4.880 243 2HD ARG 31 2HD ARG 31 27.887 -5.479 3.512 244 HE ARG 31 HE ARG 31 29.135 -3.996 2.151 245 1HH1 ARG 31 1HH1 ARG 31 28.133 -2.516 5.110 246 2HH1 ARG 31 2HH1 ARG 31 29.056 -1.074 4.848 247 1HH2 ARG 31 1HH2 ARG 31 30.338 -2.118 1.802 248 2HH2 ARG 31 2HH2 ARG 31 30.305 -0.850 2.982 249 H GLU 32 H GLU 32 22.361 -5.557 5.007 250 HA GLU 32 HA GLU 32 21.236 -2.880 4.413 251 1HB GLU 32 1HB GLU 32 20.127 -5.701 4.519 252 2HB GLU 32 2HB GLU 32 19.159 -4.291 4.089 253 1HG GLU 32 1HG GLU 32 21.631 -5.282 2.639 254 2HG GLU 32 2HG GLU 32 19.972 -5.358 2.050 255 H LEU 33 H LEU 33 21.481 -5.140 7.083 256 HA LEU 33 HA LEU 33 19.642 -3.396 8.684 257 1HB LEU 33 1HB LEU 33 20.009 -6.331 8.349 258 2HB LEU 33 2HB LEU 33 19.647 -5.764 9.974 259 HG LEU 33 HG LEU 33 17.999 -4.556 7.842 260 1HD1 LEU 33 1HD1 LEU 33 17.858 -7.504 8.526 261 2HD1 LEU 33 2HD1 LEU 33 16.530 -6.618 7.775 262 3HD1 LEU 33 3HD1 LEU 33 18.068 -6.785 6.928 263 1HD2 LEU 33 1HD2 LEU 33 17.715 -4.258 10.340 264 2HD2 LEU 33 2HD2 LEU 33 16.264 -4.809 9.502 265 3HD2 LEU 33 3HD2 LEU 33 17.238 -5.955 10.422 266 HA PRO 34 HA PRO 34 23.057 -2.374 11.254 267 1HB PRO 34 1HB PRO 34 21.721 -2.864 13.724 268 2HB PRO 34 2HB PRO 34 21.932 -1.301 12.917 269 1HG PRO 34 1HG PRO 34 19.596 -3.086 12.975 270 2HG PRO 34 2HG PRO 34 19.681 -1.336 12.722 271 1HD PRO 34 1HD PRO 34 19.126 -3.075 10.731 272 2HD PRO 34 2HD PRO 34 19.986 -1.544 10.457 273 HA PRO 35 HA PRO 35 24.972 -6.305 11.760 274 1HB PRO 35 1HB PRO 35 26.122 -5.219 14.268 275 2HB PRO 35 2HB PRO 35 26.949 -5.871 12.840 276 1HG PRO 35 1HG PRO 35 26.925 -3.254 13.400 277 2HG PRO 35 2HG PRO 35 26.917 -3.870 11.739 278 1HD PRO 35 1HD PRO 35 24.692 -2.701 13.329 279 2HD PRO 35 2HD PRO 35 25.027 -2.587 11.587 280 H ASP 36 H ASP 36 23.475 -4.676 14.552 281 HA ASP 36 HA ASP 36 23.168 -7.004 16.200 282 1HB ASP 36 1HB ASP 36 22.909 -4.389 16.564 283 2HB ASP 36 2HB ASP 36 21.216 -4.728 16.201 284 H GLN 37 H GLN 37 20.870 -5.403 13.952 285 HA GLN 37 HA GLN 37 18.759 -7.328 14.362 286 1HB GLN 37 1HB GLN 37 19.407 -4.997 12.682 287 2HB GLN 37 2HB GLN 37 18.325 -6.158 11.912 288 1HG GLN 37 1HG GLN 37 17.099 -4.419 13.224 289 2HG GLN 37 2HG GLN 37 16.795 -6.055 13.807 290 2HE2 GLN 37 2HE2 GLN 37 16.310 -5.212 15.985 291 1HE2 GLN 37 1HE2 GLN 37 17.558 -4.676 17.003 292 H ALA 38 H ALA 38 21.196 -6.925 11.776 293 HA ALA 38 HA ALA 38 20.382 -9.021 10.070 294 1HB ALA 38 1HB ALA 38 22.946 -7.628 10.758 295 2HB ALA 38 2HB ALA 38 23.008 -9.023 9.681 296 3HB ALA 38 3HB ALA 38 22.043 -7.614 9.243 297 H GLN 39 H GLN 39 22.618 -9.156 12.861 298 HA GLN 39 HA GLN 39 23.377 -11.876 12.650 299 1HB GLN 39 1HB GLN 39 23.833 -9.733 14.310 300 2HB GLN 39 2HB GLN 39 22.929 -10.817 15.368 301 1HG GLN 39 1HG GLN 39 24.518 -12.665 14.627 302 2HG GLN 39 2HG GLN 39 25.503 -11.401 13.888 303 2HE2 GLN 39 2HE2 GLN 39 23.708 -11.477 17.019 304 1HE2 GLN 39 1HE2 GLN 39 25.062 -11.099 17.971 305 H TYR 40 H TYR 40 20.538 -10.421 14.254 306 HA TYR 40 HA TYR 40 19.556 -12.833 15.453 307 1HB TYR 40 1HB TYR 40 18.910 -10.111 15.299 308 2HB TYR 40 2HB TYR 40 17.511 -10.937 14.613 309 HD1 TYR 40 HD1 TYR 40 19.236 -10.052 17.631 310 HD2 TYR 40 HD2 TYR 40 16.527 -12.923 15.937 311 HE1 TYR 40 HE1 TYR 40 18.502 -10.704 19.909 312 HE2 TYR 40 HE2 TYR 40 15.793 -13.575 18.214 313 HH TYR 40 HH TYR 40 16.007 -11.930 20.754 314 H CYS 41 H CYS 41 18.763 -11.259 12.332 315 HA CYS 41 HA CYS 41 16.803 -13.180 11.502 316 1HB CYS 41 1HB CYS 41 18.676 -11.475 9.832 317 2HB CYS 41 2HB CYS 41 17.104 -12.103 9.336 318 HG CYS 41 HG CYS 41 17.445 -9.527 10.724 319 H ILE 42 H ILE 42 20.269 -12.881 10.590 320 HA ILE 42 HA ILE 42 20.559 -15.042 8.880 321 HB ILE 42 HB ILE 42 22.333 -14.085 11.147 322 1HG1 ILE 42 1HG1 ILE 42 22.494 -13.520 8.175 323 2HG1 ILE 42 2HG1 ILE 42 21.625 -12.478 9.301 324 1HG2 ILE 42 1HG2 ILE 42 22.744 -16.117 8.986 325 2HG2 ILE 42 2HG2 ILE 42 24.096 -15.074 9.424 326 3HG2 ILE 42 3HG2 ILE 42 23.349 -16.108 10.643 327 1HD1 ILE 42 1HD1 ILE 42 24.024 -12.801 10.592 328 2HD1 ILE 42 2HD1 ILE 42 24.526 -12.799 8.901 329 3HD1 ILE 42 3HD1 ILE 42 23.626 -11.431 9.557 330 H LYS 43 H LYS 43 19.992 -15.141 12.347 331 HA LYS 43 HA LYS 43 20.587 -18.018 12.559 332 1HB LYS 43 1HB LYS 43 20.974 -16.181 14.305 333 2HB LYS 43 2HB LYS 43 19.228 -16.194 14.556 334 1HG LYS 43 1HG LYS 43 19.638 -18.820 14.749 335 2HG LYS 43 2HG LYS 43 21.254 -18.290 15.216 336 1HD LYS 43 1HD LYS 43 20.350 -16.920 17.005 337 2HD LYS 43 2HD LYS 43 18.699 -17.260 16.482 338 1HE LYS 43 1HE LYS 43 18.687 -19.102 17.796 339 2HE LYS 43 2HE LYS 43 20.031 -19.770 16.848 340 1HZ LYS 43 1HZ LYS 43 20.501 -17.653 18.851 341 2HZ LYS 43 2HZ LYS 43 20.426 -19.279 19.329 342 3HZ LYS 43 3HZ LYS 43 21.603 -18.777 18.210 343 H ARG 44 H ARG 44 17.739 -15.896 12.466 344 HA ARG 44 HA ARG 44 15.792 -17.942 13.032 345 1HB ARG 44 1HB ARG 44 15.759 -15.216 11.726 346 2HB ARG 44 2HB ARG 44 14.285 -16.158 11.956 347 1HG ARG 44 1HG ARG 44 16.177 -15.632 14.247 348 2HG ARG 44 2HG ARG 44 14.919 -14.473 13.814 349 1HD ARG 44 1HD ARG 44 13.175 -15.987 14.326 350 2HD ARG 44 2HD ARG 44 14.259 -17.391 14.262 351 HE ARG 44 HE ARG 44 15.335 -15.719 16.232 352 1HH1 ARG 44 1HH1 ARG 44 12.360 -17.358 15.599 353 2HH1 ARG 44 2HH1 ARG 44 11.959 -17.545 17.273 354 1HH2 ARG 44 1HH2 ARG 44 14.821 -15.959 18.414 355 2HH2 ARG 44 2HH2 ARG 44 13.352 -16.756 18.865 356 H MET 45 H MET 45 15.945 -16.192 9.930 357 HA MET 45 HA MET 45 14.623 -17.945 8.306 358 1HB MET 45 1HB MET 45 16.533 -17.206 6.584 359 2HB MET 45 2HB MET 45 15.325 -16.075 7.168 360 1HG MET 45 1HG MET 45 16.900 -15.270 8.883 361 2HG MET 45 2HG MET 45 18.109 -16.429 8.326 362 1HE MET 45 1HE MET 45 15.508 -14.061 7.200 363 2HE MET 45 2HE MET 45 16.208 -13.033 5.952 364 3HE MET 45 3HE MET 45 15.717 -14.687 5.566 365 HA PRO 46 HA PRO 46 17.087 -21.616 9.143 366 1HB PRO 46 1HB PRO 46 15.326 -23.250 7.723 367 2HB PRO 46 2HB PRO 46 15.220 -22.897 9.457 368 1HG PRO 46 1HG PRO 46 13.712 -21.726 7.192 369 2HG PRO 46 2HG PRO 46 13.191 -22.057 8.851 370 1HD PRO 46 1HD PRO 46 13.767 -19.570 7.976 371 2HD PRO 46 2HD PRO 46 14.040 -20.083 9.655 372 H ALA 47 H ALA 47 17.055 -23.625 7.144 373 HA ALA 47 HA ALA 47 18.896 -22.493 5.206 374 1HB ALA 47 1HB ALA 47 18.553 -24.891 6.367 375 2HB ALA 47 2HB ALA 47 17.664 -25.190 4.873 376 3HB ALA 47 3HB ALA 47 19.361 -24.718 4.809 377 H TYR 48 H TYR 48 18.255 -21.453 3.382 378 HA TYR 48 HA TYR 48 15.754 -20.988 2.344 379 1HB TYR 48 1HB TYR 48 16.914 -20.572 0.246 380 2HB TYR 48 2HB TYR 48 17.993 -20.130 1.569 381 HD1 TYR 48 HD1 TYR 48 17.573 -22.186 -1.348 382 HD2 TYR 48 HD2 TYR 48 19.688 -21.900 2.379 383 HE1 TYR 48 HE1 TYR 48 19.261 -23.806 -2.173 384 HE2 TYR 48 HE2 TYR 48 21.369 -23.518 1.552 385 HH TYR 48 HH TYR 48 22.036 -24.178 -1.297 386 H SER 49 H SER 49 14.693 -21.943 0.359 387 HA SER 49 HA SER 49 15.240 -24.650 -0.486 388 1HB SER 49 1HB SER 49 14.117 -24.414 2.036 389 2HB SER 49 2HB SER 49 12.717 -24.700 1.007 390 HG SER 49 HG SER 49 13.357 -26.682 0.778 391 H GLY 50 H GLY 50 14.810 -22.744 -2.220 392 1HA GLY 50 1HA GLY 50 12.671 -21.508 -3.090 393 2HA GLY 50 2HA GLY 50 11.997 -23.137 -3.126 394 HA PRO 51 HA PRO 51 13.530 -23.648 -7.171 395 1HB PRO 51 1HB PRO 51 12.360 -21.118 -8.205 396 2HB PRO 51 2HB PRO 51 12.079 -22.787 -8.733 397 1HG PRO 51 1HG PRO 51 10.265 -21.415 -7.322 398 2HG PRO 51 2HG PRO 51 10.475 -23.164 -7.153 399 1HD PRO 51 1HD PRO 51 11.286 -20.982 -5.317 400 2HD PRO 51 2HD PRO 51 10.804 -22.652 -4.955 401 H GLY 52 H GLY 52 15.551 -23.259 -8.028 402 1HA GLY 52 1HA GLY 52 16.601 -20.518 -8.213 403 2HA GLY 52 2HA GLY 52 17.402 -21.977 -8.800 404 H SER 53 H SER 53 16.468 -22.828 -5.815 405 HA SER 53 HA SER 53 17.750 -21.628 -3.795 406 1HB SER 53 1HB SER 53 18.532 -24.403 -3.805 407 2HB SER 53 2HB SER 53 17.282 -23.613 -2.852 408 HG SER 53 HG SER 53 16.860 -25.331 -4.689 409 H VAL 54 H VAL 54 19.813 -21.195 -3.145 410 HA VAL 54 HA VAL 54 22.110 -22.364 -4.650 411 HB VAL 54 HB VAL 54 23.017 -20.037 -4.888 412 1HG1 VAL 54 1HG1 VAL 54 21.110 -21.324 -6.425 413 2HG1 VAL 54 2HG1 VAL 54 20.410 -19.724 -6.191 414 3HG1 VAL 54 3HG1 VAL 54 22.012 -19.889 -6.910 415 1HG2 VAL 54 1HG2 VAL 54 20.299 -19.357 -3.737 416 2HG2 VAL 54 2HG2 VAL 54 21.879 -18.904 -3.097 417 3HG2 VAL 54 3HG2 VAL 54 21.298 -18.188 -4.601 418 HA PRO 55 HA PRO 55 24.037 -22.406 -0.729 419 1HB PRO 55 1HB PRO 55 26.547 -21.328 -1.885 420 2HB PRO 55 2HB PRO 55 26.253 -22.884 -1.086 421 1HG PRO 55 1HG PRO 55 26.628 -22.687 -3.729 422 2HG PRO 55 2HG PRO 55 25.555 -23.896 -3.008 423 1HD PRO 55 1HD PRO 55 24.873 -21.386 -4.446 424 2HD PRO 55 2HD PRO 55 24.009 -22.938 -4.397 425 H GLY 56 H GLY 56 24.281 -20.983 1.010 426 1HA GLY 56 1HA GLY 56 25.039 -18.174 0.488 427 2HA GLY 56 2HA GLY 56 24.846 -18.914 2.079 428 H ALA 57 H ALA 57 22.288 -19.679 -0.032 429 HA ALA 57 HA ALA 57 20.657 -17.303 0.457 430 1HB ALA 57 1HB ALA 57 18.933 -18.752 -0.653 431 2HB ALA 57 2HB ALA 57 20.087 -20.086 -0.610 432 3HB ALA 57 3HB ALA 57 20.438 -18.648 -1.568 433 H LEU 58 H LEU 58 18.926 -17.140 1.931 434 HA LEU 58 HA LEU 58 18.593 -19.390 3.885 435 1HB LEU 58 1HB LEU 58 18.780 -16.413 4.460 436 2HB LEU 58 2HB LEU 58 18.586 -17.689 5.662 437 HG LEU 58 HG LEU 58 20.935 -17.511 3.757 438 1HD1 LEU 58 1HD1 LEU 58 20.438 -16.347 6.467 439 2HD1 LEU 58 2HD1 LEU 58 22.046 -16.981 6.119 440 3HD1 LEU 58 3HD1 LEU 58 21.372 -15.693 5.122 441 1HD2 LEU 58 1HD2 LEU 58 20.162 -19.287 6.066 442 2HD2 LEU 58 2HD2 LEU 58 20.755 -19.747 4.469 443 3HD2 LEU 58 3HD2 LEU 58 21.859 -19.049 5.653 444 H ASP 59 H ASP 59 16.431 -19.470 4.827 445 HA ASP 59 HA ASP 59 14.365 -18.335 3.053 446 1HB ASP 59 1HB ASP 59 14.362 -20.687 3.888 447 2HB ASP 59 2HB ASP 59 14.180 -20.079 5.531 448 H TYR 60 H TYR 60 13.849 -16.217 3.487 449 HA TYR 60 HA TYR 60 13.946 -15.129 6.219 450 1HB TYR 60 1HB TYR 60 13.166 -13.074 4.969 451 2HB TYR 60 2HB TYR 60 14.640 -13.781 4.305 452 HD1 TYR 60 HD1 TYR 60 14.717 -14.601 2.082 453 HD2 TYR 60 HD2 TYR 60 10.935 -13.650 3.884 454 HE1 TYR 60 HE1 TYR 60 13.598 -14.897 -0.110 455 HE2 TYR 60 HE2 TYR 60 9.817 -13.946 1.689 456 HH TYR 60 HH TYR 60 11.695 -14.614 -1.251 457 H ALA 61 H ALA 61 11.632 -16.547 4.052 458 HA ALA 61 HA ALA 61 9.217 -15.430 5.151 459 1HB ALA 61 1HB ALA 61 9.899 -16.940 3.010 460 2HB ALA 61 2HB ALA 61 9.279 -18.205 4.071 461 3HB ALA 61 3HB ALA 61 8.246 -16.850 3.618 462 H ALA 62 H ALA 62 11.189 -18.297 5.943 463 HA ALA 62 HA ALA 62 9.388 -19.455 7.844 464 1HB ALA 62 1HB ALA 62 11.055 -20.944 7.411 465 2HB ALA 62 2HB ALA 62 12.187 -19.663 6.980 466 3HB ALA 62 3HB ALA 62 11.946 -20.093 8.673 467 H PHE 63 H PHE 63 11.792 -16.915 8.086 468 HA PHE 63 HA PHE 63 11.799 -16.729 10.979 469 1HB PHE 63 1HB PHE 63 13.632 -15.913 9.594 470 2HB PHE 63 2HB PHE 63 12.544 -14.813 8.747 471 HD1 PHE 63 HD1 PHE 63 13.814 -12.809 9.369 472 HD2 PHE 63 HD2 PHE 63 12.213 -15.452 12.353 473 HE1 PHE 63 HE1 PHE 63 14.203 -11.084 11.108 474 HE2 PHE 63 HE2 PHE 63 12.603 -13.728 14.091 475 HZ PHE 63 HZ PHE 63 13.598 -11.543 13.469 476 H SER 64 H SER 64 9.925 -15.197 8.389 477 HA SER 64 HA SER 64 8.668 -13.166 9.986 478 1HB SER 64 1HB SER 64 7.309 -12.889 8.044 479 2HB SER 64 2HB SER 64 8.859 -13.464 7.435 480 HG SER 64 HG SER 64 6.823 -14.539 6.697 481 H SER 65 H SER 65 7.506 -16.403 8.958 482 HA SER 65 HA SER 65 5.028 -16.297 10.397 483 1HB SER 65 1HB SER 65 6.278 -17.945 8.591 484 2HB SER 65 2HB SER 65 6.343 -18.920 10.056 485 HG SER 65 HG SER 65 4.120 -17.902 8.660 486 H ALA 66 H ALA 66 8.257 -17.515 11.290 487 HA ALA 66 HA ALA 66 7.484 -18.642 13.825 488 1HB ALA 66 1HB ALA 66 9.828 -18.902 14.100 489 2HB ALA 66 2HB ALA 66 10.181 -17.480 13.117 490 3HB ALA 66 3HB ALA 66 9.591 -18.956 12.353 491 H LEU 67 H LEU 67 8.600 -15.413 12.838 492 HA LEU 67 HA LEU 67 9.065 -14.285 15.400 493 1HB LEU 67 1HB LEU 67 9.002 -13.511 12.710 494 2HB LEU 67 2HB LEU 67 7.806 -12.476 13.490 495 HG LEU 67 HG LEU 67 10.566 -12.889 14.649 496 1HD1 LEU 67 1HD1 LEU 67 9.604 -10.849 12.628 497 2HD1 LEU 67 2HD1 LEU 67 11.048 -10.618 13.615 498 3HD1 LEU 67 3HD1 LEU 67 10.967 -11.959 12.471 499 1HD2 LEU 67 1HD2 LEU 67 8.374 -11.856 15.808 500 2HD2 LEU 67 2HD2 LEU 67 9.986 -11.215 16.125 501 3HD2 LEU 67 3HD2 LEU 67 8.932 -10.412 14.962 502 H TYR 68 H TYR 68 6.045 -14.511 13.504 503 HA TYR 68 HA TYR 68 4.522 -13.350 15.783 504 1HB TYR 68 1HB TYR 68 4.160 -13.791 12.852 505 2HB TYR 68 2HB TYR 68 2.703 -13.759 13.846 506 HD1 TYR 68 HD1 TYR 68 5.492 -11.807 12.508 507 HD2 TYR 68 HD2 TYR 68 2.132 -11.750 15.183 508 HE1 TYR 68 HE1 TYR 68 5.607 -9.332 12.600 509 HE2 TYR 68 HE2 TYR 68 2.248 -9.275 15.275 510 HH TYR 68 HH TYR 68 4.627 -7.473 13.331 511 H GLY 69 H GLY 69 5.142 -16.385 14.164 512 1HA GLY 69 1HA GLY 69 4.340 -18.555 14.567 513 2HA GLY 69 2HA GLY 69 2.812 -17.812 15.043 514 H GLU 70 H GLU 70 4.982 -19.864 16.213 515 HA GLU 70 HA GLU 70 4.680 -18.850 19.020 516 1HB GLU 70 1HB GLU 70 3.753 -21.148 17.809 517 2HB GLU 70 2HB GLU 70 5.249 -21.704 18.558 518 1HG GLU 70 1HG GLU 70 3.846 -19.982 20.391 519 2HG GLU 70 2HG GLU 70 2.759 -21.251 19.827 520 H SER 71 H SER 71 6.454 -20.419 20.344 521 HA SER 71 HA SER 71 9.044 -19.315 19.543 522 1HB SER 71 1HB SER 71 9.730 -20.187 21.681 523 2HB SER 71 2HB SER 71 8.090 -19.579 21.888 524 HG SER 71 HG SER 71 8.736 -21.841 22.633 525 H ASP 72 H ASP 72 10.563 -21.638 20.546 526 HA ASP 72 HA ASP 72 10.596 -23.211 18.029 527 1HB ASP 72 1HB ASP 72 12.667 -22.224 18.871 528 2HB ASP 72 2HB ASP 72 12.441 -23.016 20.431 529 H LEU 73 H LEU 73 9.789 -25.276 17.956 530 HA LEU 73 HA LEU 73 9.401 -26.744 20.540 531 1HB LEU 73 1HB LEU 73 7.198 -27.456 19.620 532 2HB LEU 73 2HB LEU 73 7.300 -25.704 19.793 533 HG LEU 73 HG LEU 73 8.291 -26.641 17.203 534 1HD1 LEU 73 1HD1 LEU 73 5.829 -27.779 18.231 535 2HD1 LEU 73 2HD1 LEU 73 5.504 -26.757 16.831 536 3HD1 LEU 73 3HD1 LEU 73 6.645 -28.096 16.699 537 1HD2 LEU 73 1HD2 LEU 73 7.614 -24.281 18.078 538 2HD2 LEU 73 2HD2 LEU 73 7.151 -24.727 16.435 539 3HD2 LEU 73 3HD2 LEU 73 5.964 -24.801 17.737 540 H GLY 7 H GLY 7 15.156 5.588 1.243 541 1HA GLY 7 1HA GLY 7 13.822 5.780 -1.322 542 2HA GLY 7 2HA GLY 7 13.040 5.889 0.256 543 H LYS 8 H LYS 8 11.637 4.251 0.641 544 HA LYS 8 HA LYS 8 10.558 2.157 0.417 545 1HB LYS 8 1HB LYS 8 11.565 2.866 -2.063 546 2HB LYS 8 2HB LYS 8 12.241 1.255 -1.817 547 1HG LYS 8 1HG LYS 8 10.224 0.256 -2.042 548 2HG LYS 8 2HG LYS 8 9.426 1.451 -1.020 549 1HD LYS 8 1HD LYS 8 9.544 3.059 -2.972 550 2HD LYS 8 2HD LYS 8 10.090 1.707 -3.963 551 1HE LYS 8 1HE LYS 8 7.935 1.084 -4.261 552 2HE LYS 8 2HE LYS 8 7.776 0.844 -2.510 553 1HZ LYS 8 1HZ LYS 8 7.628 3.495 -3.839 554 2HZ LYS 8 2HZ LYS 8 6.265 2.577 -3.422 555 3HZ LYS 8 3HZ LYS 8 7.307 3.148 -2.208 556 H LYS 9 H LYS 9 13.958 1.598 -0.608 557 HA LYS 9 HA LYS 9 14.261 -0.916 0.674 558 1HB LYS 9 1HB LYS 9 15.711 0.507 -1.024 559 2HB LYS 9 2HB LYS 9 16.519 1.052 0.447 560 1HG LYS 9 1HG LYS 9 16.562 -1.532 1.005 561 2HG LYS 9 2HG LYS 9 16.400 -1.698 -0.742 562 1HD LYS 9 1HD LYS 9 18.363 0.320 -0.194 563 2HD LYS 9 2HD LYS 9 18.760 -1.122 0.741 564 1HE LYS 9 1HE LYS 9 19.814 -1.360 -1.432 565 2HE LYS 9 2HE LYS 9 18.424 -2.464 -1.407 566 1HZ LYS 9 1HZ LYS 9 17.075 -0.684 -2.390 567 2HZ LYS 9 2HZ LYS 9 18.458 0.297 -2.507 568 3HZ LYS 9 3HZ LYS 9 18.359 -1.136 -3.408 569 H ALA 10 H ALA 10 15.022 2.369 1.864 570 HA ALA 10 HA ALA 10 16.086 1.583 4.400 571 1HB ALA 10 1HB ALA 10 16.045 3.886 4.808 572 2HB ALA 10 2HB ALA 10 14.503 4.103 3.982 573 3HB ALA 10 3HB ALA 10 15.978 3.853 3.046 574 H GLU 11 H GLU 11 12.768 2.170 3.287 575 HA GLU 11 HA GLU 11 11.494 2.149 5.860 576 1HB GLU 11 1HB GLU 11 10.649 2.868 3.530 577 2HB GLU 11 2HB GLU 11 10.322 1.156 3.255 578 1HG GLU 11 1HG GLU 11 8.304 1.656 4.195 579 2HG GLU 11 2HG GLU 11 9.195 1.482 5.708 580 H ALA 12 H ALA 12 12.245 -0.436 3.522 581 HA ALA 12 HA ALA 12 10.903 -2.570 4.872 582 1HB ALA 12 1HB ALA 12 13.427 -2.589 3.182 583 2HB ALA 12 2HB ALA 12 11.786 -2.564 2.538 584 3HB ALA 12 3HB ALA 12 12.351 -3.961 3.454 585 H VAL 13 H VAL 13 14.197 -1.256 5.183 586 HA VAL 13 HA VAL 13 15.264 -3.213 6.958 587 HB VAL 13 HB VAL 13 15.758 -0.231 6.666 588 1HG1 VAL 13 1HG1 VAL 13 16.644 -1.793 8.729 589 2HG1 VAL 13 2HG1 VAL 13 17.935 -2.024 7.550 590 3HG1 VAL 13 3HG1 VAL 13 17.522 -0.400 8.098 591 1HG2 VAL 13 1HG2 VAL 13 16.587 -2.671 5.182 592 2HG2 VAL 13 2HG2 VAL 13 16.383 -1.017 4.603 593 3HG2 VAL 13 3HG2 VAL 13 17.848 -1.471 5.475 594 H ALA 14 H ALA 14 13.442 -0.213 7.598 595 HA ALA 14 HA ALA 14 13.602 -0.303 10.460 596 1HB ALA 14 1HB ALA 14 12.903 1.582 8.861 597 2HB ALA 14 2HB ALA 14 11.331 0.788 8.781 598 3HB ALA 14 3HB ALA 14 11.929 1.405 10.321 599 H THR 15 H THR 15 11.188 -1.586 8.161 600 HA THR 15 HA THR 15 9.314 -2.557 10.082 601 HB THR 15 HB THR 15 10.089 -3.409 7.277 602 HG1 THR 15 HG1 THR 15 7.996 -2.316 6.943 603 1HG2 THR 15 1HG2 THR 15 7.755 -4.271 9.001 604 2HG2 THR 15 2HG2 THR 15 7.827 -4.513 7.256 605 3HG2 THR 15 3HG2 THR 15 9.001 -5.306 8.306 606 H VAL 16 H VAL 16 12.070 -4.191 8.483 607 HA VAL 16 HA VAL 16 11.724 -6.732 9.764 608 HB VAL 16 HB VAL 16 14.272 -5.396 8.798 609 1HG1 VAL 16 1HG1 VAL 16 13.710 -7.966 9.872 610 2HG1 VAL 16 2HG1 VAL 16 13.982 -8.181 8.143 611 3HG1 VAL 16 3HG1 VAL 16 15.215 -7.410 9.141 612 1HG2 VAL 16 1HG2 VAL 16 11.861 -5.935 7.373 613 2HG2 VAL 16 2HG2 VAL 16 13.407 -5.394 6.718 614 3HG2 VAL 16 3HG2 VAL 16 13.060 -7.118 6.850 615 H VAL 17 H VAL 17 13.657 -3.859 10.633 616 HA VAL 17 HA VAL 17 14.996 -4.937 12.904 617 HB VAL 17 HB VAL 17 13.988 -2.142 12.275 618 1HG1 VAL 17 1HG1 VAL 17 15.933 -3.200 14.332 619 2HG1 VAL 17 2HG1 VAL 17 15.992 -1.529 13.767 620 3HG1 VAL 17 3HG1 VAL 17 14.551 -2.134 14.584 621 1HG2 VAL 17 1HG2 VAL 17 15.694 -3.591 10.784 622 2HG2 VAL 17 2HG2 VAL 17 15.886 -1.853 11.007 623 3HG2 VAL 17 3HG2 VAL 17 16.835 -2.978 11.981 624 H ALA 18 H ALA 18 11.877 -3.192 12.680 625 HA ALA 18 HA ALA 18 11.245 -3.219 15.460 626 1HB ALA 18 1HB ALA 18 10.190 -1.978 13.459 627 2HB ALA 18 2HB ALA 18 9.270 -3.457 13.183 628 3HB ALA 18 3HB ALA 18 9.083 -2.572 14.697 629 H ALA 19 H ALA 19 10.507 -5.570 12.872 630 HA ALA 19 HA ALA 19 8.926 -7.344 14.482 631 1HB ALA 19 1HB ALA 19 9.270 -8.864 12.611 632 2HB ALA 19 2HB ALA 19 10.692 -7.960 12.092 633 3HB ALA 19 3HB ALA 19 9.092 -7.230 11.972 634 H VAL 20 H VAL 20 12.412 -7.321 13.681 635 HA VAL 20 HA VAL 20 13.064 -9.728 15.118 636 HB VAL 20 HB VAL 20 14.616 -7.286 14.219 637 1HG1 VAL 20 1HG1 VAL 20 15.403 -9.415 16.024 638 2HG1 VAL 20 2HG1 VAL 20 16.370 -9.460 14.549 639 3HG1 VAL 20 3HG1 VAL 20 16.314 -7.990 15.522 640 1HG2 VAL 20 1HG2 VAL 20 13.595 -9.629 12.923 641 2HG2 VAL 20 2HG2 VAL 20 14.564 -8.332 12.223 642 3HG2 VAL 20 3HG2 VAL 20 15.356 -9.734 12.942 643 H ASP 21 H ASP 21 13.272 -6.269 16.008 644 HA ASP 21 HA ASP 21 14.396 -6.560 18.592 645 1HB ASP 21 1HB ASP 21 13.718 -4.513 17.039 646 2HB ASP 21 2HB ASP 21 12.251 -4.542 18.019 647 H GLN 22 H GLN 22 11.052 -6.931 17.486 648 HA GLN 22 HA GLN 22 9.766 -6.971 20.038 649 1HB GLN 22 1HB GLN 22 9.065 -7.110 17.389 650 2HB GLN 22 2HB GLN 22 8.730 -8.757 17.926 651 1HG GLN 22 1HG GLN 22 7.703 -6.238 19.272 652 2HG GLN 22 2HG GLN 22 6.755 -7.285 18.214 653 2HE2 GLN 22 2HE2 GLN 22 8.269 -7.070 21.412 654 1HE2 GLN 22 1HE2 GLN 22 7.511 -8.446 22.056 655 H ALA 23 H ALA 23 11.086 -9.635 18.043 656 HA ALA 23 HA ALA 23 10.378 -11.797 19.742 657 1HB ALA 23 1HB ALA 23 11.332 -11.771 17.372 658 2HB ALA 23 2HB ALA 23 12.008 -12.997 18.445 659 3HB ALA 23 3HB ALA 23 12.915 -11.522 18.109 660 H ARG 24 H ARG 24 13.133 -9.564 19.861 661 HA ARG 24 HA ARG 24 14.665 -10.961 21.850 662 1HB ARG 24 1HB ARG 24 15.198 -8.976 20.232 663 2HB ARG 24 2HB ARG 24 14.558 -7.967 21.530 664 1HG ARG 24 1HG ARG 24 16.199 -8.806 23.088 665 2HG ARG 24 2HG ARG 24 16.743 -10.025 21.933 666 1HD ARG 24 1HD ARG 24 17.707 -8.374 20.491 667 2HD ARG 24 2HD ARG 24 16.892 -7.052 21.352 668 HE ARG 24 HE ARG 24 18.378 -8.414 23.302 669 1HH1 ARG 24 1HH1 ARG 24 18.938 -6.758 20.322 670 2HH1 ARG 24 2HH1 ARG 24 20.522 -6.225 20.769 671 1HH2 ARG 24 1HH2 ARG 24 20.445 -7.724 23.894 672 2HH2 ARG 24 2HH2 ARG 24 21.375 -6.770 22.788 673 H VAL 25 H VAL 25 12.032 -8.589 22.056 674 HA VAL 25 HA VAL 25 12.213 -7.983 24.831 675 HB VAL 25 HB VAL 25 9.824 -8.170 22.970 676 1HG1 VAL 25 1HG1 VAL 25 9.245 -8.056 25.402 677 2HG1 VAL 25 2HG1 VAL 25 10.185 -6.568 25.521 678 3HG1 VAL 25 3HG1 VAL 25 8.741 -6.621 24.510 679 1HG2 VAL 25 1HG2 VAL 25 12.112 -6.432 23.051 680 2HG2 VAL 25 2HG2 VAL 25 10.737 -6.381 21.948 681 3HG2 VAL 25 3HG2 VAL 25 10.676 -5.502 23.476 682 H ARG 26 H ARG 26 11.117 -10.826 23.181 683 HA ARG 26 HA ARG 26 10.364 -12.902 24.031 684 1HB ARG 26 1HB ARG 26 12.277 -12.122 25.643 685 2HB ARG 26 2HB ARG 26 10.959 -11.798 26.770 686 1HG ARG 26 1HG ARG 26 10.275 -14.287 25.884 687 2HG ARG 26 2HG ARG 26 12.035 -14.384 25.823 688 1HD ARG 26 1HD ARG 26 12.048 -13.446 28.201 689 2HD ARG 26 2HD ARG 26 10.299 -13.747 28.225 690 HE ARG 26 HE ARG 26 11.311 -16.129 27.291 691 1HH1 ARG 26 1HH1 ARG 26 12.011 -14.072 29.976 692 2HH1 ARG 26 2HH1 ARG 26 12.503 -15.372 31.008 693 1HH2 ARG 26 1HH2 ARG 26 11.949 -17.832 28.629 694 2HH2 ARG 26 2HH2 ARG 26 12.468 -17.499 30.247 695 H GLU 27 H GLU 27 8.211 -11.718 23.371 696 HA GLU 27 HA GLU 27 6.504 -10.666 25.458 697 1HB GLU 27 1HB GLU 27 6.548 -10.905 22.666 698 2HB GLU 27 2HB GLU 27 5.149 -11.856 23.167 699 1HG GLU 27 1HG GLU 27 4.601 -9.811 24.688 700 2HG GLU 27 2HG GLU 27 5.701 -8.931 23.626 701 HA PRO 28 HA PRO 28 5.324 -14.573 27.126 702 1HB PRO 28 1HB PRO 28 3.161 -13.712 28.610 703 2HB PRO 28 2HB PRO 28 4.848 -13.553 29.133 704 1HG PRO 28 1HG PRO 28 3.033 -11.524 27.960 705 2HG PRO 28 2HG PRO 28 4.297 -11.340 29.184 706 1HD PRO 28 1HD PRO 28 4.599 -10.589 26.585 707 2HD PRO 28 2HD PRO 28 5.948 -11.080 27.629 708 H ARG 29 H ARG 29 4.594 -14.915 24.710 709 HA ARG 29 HA ARG 29 1.633 -15.368 24.729 710 1HB ARG 29 1HB ARG 29 2.809 -13.336 23.390 711 2HB ARG 29 2HB ARG 29 2.975 -14.611 22.182 712 1HG ARG 29 1HG ARG 29 0.339 -14.135 23.565 713 2HG ARG 29 2HG ARG 29 0.804 -13.182 22.155 714 1HD ARG 29 1HD ARG 29 1.392 -15.772 21.352 715 2HD ARG 29 2HD ARG 29 -0.108 -15.967 22.281 716 HE ARG 29 HE ARG 29 -0.333 -13.644 20.626 717 1HH1 ARG 29 1HH1 ARG 29 -0.218 -17.094 20.504 718 2HH1 ARG 29 2HH1 ARG 29 -1.151 -17.202 19.050 719 1HH2 ARG 29 1HH2 ARG 29 -1.550 -13.774 18.728 720 2HH2 ARG 29 2HH2 ARG 29 -1.902 -15.325 18.043 No H/Q in entry = 720 Start of MODEL 10 1 H MET 1 H MET 1 2.846 -7.587 -3.301 2 HA MET 1 HA MET 1 0.903 -5.807 -3.037 3 1HB MET 1 1HB MET 1 1.786 -7.494 -5.284 4 2HB MET 1 2HB MET 1 0.200 -6.760 -5.530 5 1HG MET 1 1HG MET 1 1.842 -4.750 -4.398 6 2HG MET 1 2HG MET 1 2.796 -5.518 -5.666 7 1HE MET 1 1HE MET 1 1.864 -6.360 -7.606 8 2HE MET 1 2HE MET 1 0.232 -6.078 -8.227 9 3HE MET 1 3HE MET 1 1.566 -5.059 -8.757 10 H ALA 2 H ALA 2 -0.543 -6.804 -1.346 11 HA ALA 2 HA ALA 2 -3.087 -7.603 -2.481 12 1HB ALA 2 1HB ALA 2 -1.962 -9.709 -2.808 13 2HB ALA 2 2HB ALA 2 -3.014 -9.911 -1.407 14 3HB ALA 2 3HB ALA 2 -1.283 -9.663 -1.181 15 H ASP 3 H ASP 3 -1.716 -8.855 0.538 16 HA ASP 3 HA ASP 3 -3.190 -6.758 2.077 17 1HB ASP 3 1HB ASP 3 -3.735 -9.647 1.808 18 2HB ASP 3 2HB ASP 3 -3.704 -9.066 3.474 19 H THR 4 H THR 4 -2.655 -7.180 4.547 20 HA THR 4 HA THR 4 0.212 -8.029 4.800 21 HB THR 4 HB THR 4 -1.022 -5.716 6.294 22 HG1 THR 4 HG1 THR 4 -0.044 -5.825 3.654 23 1HG2 THR 4 1HG2 THR 4 1.497 -6.983 6.265 24 2HG2 THR 4 2HG2 THR 4 1.721 -5.446 5.430 25 3HG2 THR 4 3HG2 THR 4 1.074 -5.473 7.070 26 H ASP 5 H ASP 5 0.783 -8.534 7.117 27 HA ASP 5 HA ASP 5 -1.285 -8.885 9.114 28 1HB ASP 5 1HB ASP 5 -1.014 -10.833 7.010 29 2HB ASP 5 2HB ASP 5 -0.581 -11.580 8.549 30 H THR 6 H THR 6 1.216 -7.755 9.362 31 HA THR 6 HA THR 6 3.103 -7.845 10.787 32 HB THR 6 HB THR 6 2.096 -10.537 11.688 33 HG1 THR 6 HG1 THR 6 0.562 -9.440 12.934 34 1HG2 THR 6 1HG2 THR 6 4.051 -8.745 12.577 35 2HG2 THR 6 2HG2 THR 6 2.700 -8.516 13.687 36 3HG2 THR 6 3HG2 THR 6 3.404 -10.119 13.474 37 H ALA 7 H ALA 7 2.537 -11.303 10.037 38 HA ALA 7 HA ALA 7 5.319 -11.827 9.485 39 1HB ALA 7 1HB ALA 7 2.680 -13.229 9.081 40 2HB ALA 7 2HB ALA 7 4.167 -13.941 8.454 41 3HB ALA 7 3HB ALA 7 3.992 -13.645 10.184 42 H GLU 8 H GLU 8 2.493 -11.171 7.426 43 HA GLU 8 HA GLU 8 3.807 -11.600 4.900 44 1HB GLU 8 1HB GLU 8 1.275 -11.277 5.732 45 2HB GLU 8 2HB GLU 8 1.595 -9.618 5.222 46 1HG GLU 8 1HG GLU 8 2.211 -11.991 3.453 47 2HG GLU 8 2HG GLU 8 0.643 -11.184 3.432 48 H GLN 9 H GLN 9 3.411 -8.766 6.999 49 HA GLN 9 HA GLN 9 4.366 -6.763 5.208 50 1HB GLN 9 1HB GLN 9 3.218 -6.344 7.340 51 2HB GLN 9 2HB GLN 9 4.568 -7.055 8.225 52 1HG GLN 9 1HG GLN 9 5.338 -4.920 8.349 53 2HG GLN 9 2HG GLN 9 5.849 -5.184 6.681 54 2HE2 GLN 9 2HE2 GLN 9 5.051 -3.675 5.215 55 1HE2 GLN 9 1HE2 GLN 9 3.651 -2.743 5.440 56 H VAL 10 H VAL 10 6.127 -8.765 7.600 57 HA VAL 10 HA VAL 10 8.719 -7.681 7.206 58 HB VAL 10 HB VAL 10 7.732 -10.466 7.890 59 1HG1 VAL 10 1HG1 VAL 10 10.436 -9.413 7.468 60 2HG1 VAL 10 2HG1 VAL 10 10.217 -10.127 9.066 61 3HG1 VAL 10 3HG1 VAL 10 9.894 -11.085 7.621 62 1HG2 VAL 10 1HG2 VAL 10 8.120 -7.924 9.349 63 2HG2 VAL 10 2HG2 VAL 10 7.066 -9.286 9.726 64 3HG2 VAL 10 3HG2 VAL 10 8.775 -9.347 10.158 65 H ILE 11 H ILE 11 7.099 -10.391 5.522 66 HA ILE 11 HA ILE 11 9.208 -11.203 3.834 67 HB ILE 11 HB ILE 11 6.203 -11.045 3.440 68 1HG1 ILE 11 1HG1 ILE 11 7.913 -13.468 4.019 69 2HG1 ILE 11 2HG1 ILE 11 7.293 -12.448 5.319 70 1HG2 ILE 11 1HG2 ILE 11 8.148 -11.512 1.467 71 2HG2 ILE 11 2HG2 ILE 11 7.569 -13.114 1.926 72 3HG2 ILE 11 3HG2 ILE 11 6.429 -11.892 1.361 73 1HD1 ILE 11 1HD1 ILE 11 5.074 -12.856 3.692 74 2HD1 ILE 11 2HD1 ILE 11 5.890 -14.419 3.680 75 3HD1 ILE 11 3HD1 ILE 11 5.407 -13.689 5.210 76 H ALA 12 H ALA 12 6.698 -8.712 3.223 77 HA ALA 12 HA ALA 12 7.599 -7.886 0.656 78 1HB ALA 12 1HB ALA 12 5.469 -7.200 1.612 79 2HB ALA 12 2HB ALA 12 6.284 -6.406 2.961 80 3HB ALA 12 3HB ALA 12 6.426 -5.746 1.331 81 H SER 13 H SER 13 8.539 -6.801 3.922 82 HA SER 13 HA SER 13 10.415 -4.791 3.045 83 1HB SER 13 1HB SER 13 10.547 -6.376 5.614 84 2HB SER 13 2HB SER 13 10.936 -4.677 5.358 85 HG SER 13 HG SER 13 8.666 -4.403 4.849 86 H PHE 14 H PHE 14 10.704 -8.239 3.904 87 HA PHE 14 HA PHE 14 13.582 -8.375 3.657 88 1HB PHE 14 1HB PHE 14 11.237 -10.201 3.861 89 2HB PHE 14 2HB PHE 14 12.715 -10.899 3.196 90 HD1 PHE 14 HD1 PHE 14 11.035 -10.824 6.103 91 HD2 PHE 14 HD2 PHE 14 14.872 -9.617 4.596 92 HE1 PHE 14 HE1 PHE 14 11.985 -10.992 8.388 93 HE2 PHE 14 HE2 PHE 14 15.822 -9.784 6.881 94 HZ PHE 14 HZ PHE 14 14.378 -10.472 8.777 95 H ARG 15 H ARG 15 10.887 -9.031 1.413 96 HA ARG 15 HA ARG 15 12.321 -10.036 -0.796 97 1HB ARG 15 1HB ARG 15 9.789 -9.640 -0.350 98 2HB ARG 15 2HB ARG 15 10.074 -8.028 -1.007 99 1HG ARG 15 1HG ARG 15 10.980 -9.033 -3.075 100 2HG ARG 15 2HG ARG 15 10.672 -10.643 -2.422 101 1HD ARG 15 1HD ARG 15 8.379 -10.466 -2.700 102 2HD ARG 15 2HD ARG 15 8.387 -8.703 -2.486 103 HE ARG 15 HE ARG 15 8.786 -10.096 -5.005 104 1HH1 ARG 15 1HH1 ARG 15 9.638 -7.345 -3.096 105 2HH1 ARG 15 2HH1 ARG 15 10.024 -6.355 -4.462 106 1HH2 ARG 15 1HH2 ARG 15 9.286 -8.810 -6.794 107 2HH2 ARG 15 2HH2 ARG 15 9.822 -7.182 -6.552 108 H ILE 16 H ILE 16 11.629 -6.632 0.063 109 HA ILE 16 HA ILE 16 12.959 -5.395 -2.129 110 HB ILE 16 HB ILE 16 12.472 -4.593 0.756 111 1HG1 ILE 16 1HG1 ILE 16 11.093 -3.908 -1.862 112 2HG1 ILE 16 2HG1 ILE 16 10.455 -4.953 -0.593 113 1HG2 ILE 16 1HG2 ILE 16 13.600 -3.026 -1.571 114 2HG2 ILE 16 2HG2 ILE 16 12.803 -2.235 -0.210 115 3HG2 ILE 16 3HG2 ILE 16 14.262 -3.189 0.056 116 1HD1 ILE 16 1HD1 ILE 16 11.275 -2.133 0.056 117 2HD1 ILE 16 2HD1 ILE 16 9.697 -2.451 -0.662 118 3HD1 ILE 16 3HD1 ILE 16 10.119 -3.170 0.890 119 H LEU 17 H LEU 17 14.173 -6.402 1.074 120 HA LEU 17 HA LEU 17 16.845 -5.411 0.770 121 1HB LEU 17 1HB LEU 17 15.285 -7.201 2.508 122 2HB LEU 17 2HB LEU 17 16.990 -7.638 2.405 123 HG LEU 17 HG LEU 17 17.644 -5.367 3.022 124 1HD1 LEU 17 1HD1 LEU 17 14.749 -4.891 2.552 125 2HD1 LEU 17 2HD1 LEU 17 15.464 -4.023 3.910 126 3HD1 LEU 17 3HD1 LEU 17 16.122 -3.816 2.287 127 1HD2 LEU 17 1HD2 LEU 17 15.629 -6.776 4.771 128 2HD2 LEU 17 2HD2 LEU 17 17.383 -6.715 4.943 129 3HD2 LEU 17 3HD2 LEU 17 16.411 -5.292 5.314 130 H ALA 18 H ALA 18 15.361 -8.562 0.001 131 HA ALA 18 HA ALA 18 17.842 -9.767 -0.925 132 1HB ALA 18 1HB ALA 18 16.123 -11.441 -1.854 133 2HB ALA 18 2HB ALA 18 14.892 -10.399 -1.140 134 3HB ALA 18 3HB ALA 18 16.094 -11.175 -0.110 135 H SER 19 H SER 19 15.949 -7.334 -2.228 136 HA SER 19 HA SER 19 15.956 -6.334 -4.374 137 1HB SER 19 1HB SER 19 18.411 -7.407 -3.986 138 2HB SER 19 2HB SER 19 17.898 -8.352 -5.381 139 HG SER 19 HG SER 19 18.930 -6.390 -5.977 140 H ASP 20 H ASP 20 13.751 -7.480 -4.424 141 HA ASP 20 HA ASP 20 12.168 -8.834 -5.551 142 1HB ASP 20 1HB ASP 20 13.281 -7.310 -7.286 143 2HB ASP 20 2HB ASP 20 14.244 -8.713 -7.750 144 H LYS 21 H LYS 21 13.417 -10.496 -3.884 145 HA LYS 21 HA LYS 21 13.832 -12.953 -5.502 146 1HB LYS 21 1HB LYS 21 15.810 -11.581 -3.695 147 2HB LYS 21 2HB LYS 21 15.877 -13.331 -3.907 148 1HG LYS 21 1HG LYS 21 15.635 -12.540 -6.495 149 2HG LYS 21 2HG LYS 21 16.524 -11.170 -5.828 150 1HD LYS 21 1HD LYS 21 18.059 -12.956 -4.746 151 2HD LYS 21 2HD LYS 21 17.329 -14.075 -5.897 152 1HE LYS 21 1HE LYS 21 17.930 -11.978 -7.548 153 2HE LYS 21 2HE LYS 21 19.266 -11.893 -6.381 154 1HZ LYS 21 1HZ LYS 21 18.356 -14.420 -7.644 155 2HZ LYS 21 2HZ LYS 21 19.633 -13.483 -8.259 156 3HZ LYS 21 3HZ LYS 21 19.757 -14.175 -6.716 157 HA PRO 22 HA PRO 22 11.523 -14.472 -2.088 158 1HB PRO 22 1HB PRO 22 11.909 -17.193 -2.584 159 2HB PRO 22 2HB PRO 22 10.666 -16.185 -3.348 160 1HG PRO 22 1HG PRO 22 13.290 -17.072 -4.400 161 2HG PRO 22 2HG PRO 22 11.759 -16.810 -5.248 162 1HD PRO 22 1HD PRO 22 13.818 -15.074 -5.399 163 2HD PRO 22 2HD PRO 22 12.121 -14.556 -5.484 164 H TYR 23 H TYR 23 14.802 -14.518 -2.324 165 HA TYR 23 HA TYR 23 15.090 -15.594 0.434 166 1HB TYR 23 1HB TYR 23 16.928 -17.067 -0.309 167 2HB TYR 23 2HB TYR 23 15.429 -17.474 -1.145 168 HD1 TYR 23 HD1 TYR 23 15.063 -16.746 -3.498 169 HD2 TYR 23 HD2 TYR 23 18.814 -16.150 -1.491 170 HE1 TYR 23 HE1 TYR 23 16.168 -16.342 -5.682 171 HE2 TYR 23 HE2 TYR 23 19.918 -15.746 -3.675 172 HH TYR 23 HH TYR 23 18.681 -16.606 -6.544 173 H ILE 24 H ILE 24 17.515 -15.234 1.117 174 HA ILE 24 HA ILE 24 18.791 -12.933 -0.256 175 HB ILE 24 HB ILE 24 17.033 -12.062 1.305 176 1HG1 ILE 24 1HG1 ILE 24 19.937 -11.550 2.013 177 2HG1 ILE 24 2HG1 ILE 24 18.945 -10.645 0.869 178 1HG2 ILE 24 1HG2 ILE 24 17.317 -14.002 2.924 179 2HG2 ILE 24 2HG2 ILE 24 18.785 -13.207 3.493 180 3HG2 ILE 24 3HG2 ILE 24 17.222 -12.408 3.674 181 1HD1 ILE 24 1HD1 ILE 24 17.455 -9.950 2.717 182 2HD1 ILE 24 2HD1 ILE 24 18.467 -10.835 3.858 183 3HD1 ILE 24 3HD1 ILE 24 19.116 -9.435 3.006 184 H LEU 25 H LEU 25 20.998 -12.585 0.534 185 HA LEU 25 HA LEU 25 22.225 -15.063 1.576 186 1HB LEU 25 1HB LEU 25 23.202 -12.444 0.416 187 2HB LEU 25 2HB LEU 25 24.315 -13.658 1.047 188 HG LEU 25 HG LEU 25 22.769 -15.230 -0.519 189 1HD1 LEU 25 1HD1 LEU 25 22.398 -12.437 -1.423 190 2HD1 LEU 25 2HD1 LEU 25 22.840 -13.579 -2.694 191 3HD1 LEU 25 3HD1 LEU 25 21.397 -13.860 -1.718 192 1HD2 LEU 25 1HD2 LEU 25 25.226 -13.596 -1.158 193 2HD2 LEU 25 2HD2 LEU 25 25.124 -15.306 -0.736 194 3HD2 LEU 25 3HD2 LEU 25 24.573 -14.753 -2.318 195 H ALA 26 H ALA 26 23.469 -15.122 3.513 196 HA ALA 26 HA ALA 26 22.553 -13.634 5.746 197 1HB ALA 26 1HB ALA 26 25.336 -14.649 5.795 198 2HB ALA 26 2HB ALA 26 23.980 -15.044 6.852 199 3HB ALA 26 3HB ALA 26 24.123 -15.819 5.275 200 H GLU 27 H GLU 27 25.250 -13.049 3.530 201 HA GLU 27 HA GLU 27 26.443 -10.890 5.040 202 1HB GLU 27 1HB GLU 27 26.565 -12.046 2.281 203 2HB GLU 27 2HB GLU 27 27.303 -10.470 2.556 204 1HG GLU 27 1HG GLU 27 28.807 -11.331 4.175 205 2HG GLU 27 2HG GLU 27 27.881 -12.822 4.359 206 H GLU 28 H GLU 28 23.938 -11.090 2.544 207 HA GLU 28 HA GLU 28 23.759 -8.321 1.882 208 1HB GLU 28 1HB GLU 28 22.720 -10.490 0.860 209 2HB GLU 28 2HB GLU 28 21.410 -10.204 2.007 210 1HG GLU 28 1HG GLU 28 20.677 -9.043 0.105 211 2HG GLU 28 2HG GLU 28 21.441 -7.771 1.058 212 H LEU 29 H LEU 29 21.825 -10.231 4.245 213 HA LEU 29 HA LEU 29 20.399 -7.937 5.250 214 1HB LEU 29 1HB LEU 29 19.622 -9.490 6.926 215 2HB LEU 29 2HB LEU 29 19.786 -10.396 5.424 216 HG LEU 29 HG LEU 29 22.174 -10.956 6.276 217 1HD1 LEU 29 1HD1 LEU 29 21.193 -9.338 8.419 218 2HD1 LEU 29 2HD1 LEU 29 21.385 -10.983 9.025 219 3HD1 LEU 29 3HD1 LEU 29 22.756 -10.146 8.295 220 1HD2 LEU 29 1HD2 LEU 29 19.867 -12.330 6.287 221 2HD2 LEU 29 2HD2 LEU 29 21.341 -12.981 7.003 222 3HD2 LEU 29 3HD2 LEU 29 20.122 -12.228 8.030 223 H ARG 30 H ARG 30 23.464 -9.482 6.091 224 HA ARG 30 HA ARG 30 23.975 -8.231 8.592 225 1HB ARG 30 1HB ARG 30 25.254 -10.078 7.457 226 2HB ARG 30 2HB ARG 30 25.912 -8.878 6.345 227 1HG ARG 30 1HG ARG 30 26.425 -7.700 8.761 228 2HG ARG 30 2HG ARG 30 26.605 -9.407 9.165 229 1HD ARG 30 1HD ARG 30 28.042 -9.527 6.978 230 2HD ARG 30 2HD ARG 30 28.169 -7.769 7.179 231 HE ARG 30 HE ARG 30 29.555 -8.156 9.047 232 1HH1 ARG 30 1HH1 ARG 30 27.595 -10.909 8.328 233 2HH1 ARG 30 2HH1 ARG 30 28.325 -11.906 9.543 234 1HH2 ARG 30 1HH2 ARG 30 30.513 -9.446 10.630 235 2HH2 ARG 30 2HH2 ARG 30 29.973 -11.078 10.844 236 H ARG 31 H ARG 31 24.351 -7.064 5.268 237 HA ARG 31 HA ARG 31 25.564 -4.516 6.179 238 1HB ARG 31 1HB ARG 31 26.045 -6.033 4.060 239 2HB ARG 31 2HB ARG 31 24.688 -5.136 3.376 240 1HG ARG 31 1HG ARG 31 25.813 -3.101 3.460 241 2HG ARG 31 2HG ARG 31 26.881 -3.628 4.761 242 1HD ARG 31 1HD ARG 31 27.764 -5.350 2.975 243 2HD ARG 31 2HD ARG 31 27.076 -4.197 1.813 244 HE ARG 31 HE ARG 31 28.445 -2.555 3.537 245 1HH1 ARG 31 1HH1 ARG 31 29.235 -5.441 1.812 246 2HH1 ARG 31 2HH1 ARG 31 30.911 -5.037 1.649 247 1HH2 ARG 31 1HH2 ARG 31 30.628 -2.018 3.326 248 2HH2 ARG 31 2HH2 ARG 31 31.698 -3.102 2.503 249 H GLU 32 H GLU 32 22.492 -5.785 4.999 250 HA GLU 32 HA GLU 32 21.299 -3.136 4.591 251 1HB GLU 32 1HB GLU 32 20.082 -5.912 4.763 252 2HB GLU 32 2HB GLU 32 19.321 -4.485 4.061 253 1HG GLU 32 1HG GLU 32 21.991 -5.057 2.966 254 2HG GLU 32 2HG GLU 32 20.807 -6.327 2.653 255 H LEU 33 H LEU 33 21.590 -5.446 7.201 256 HA LEU 33 HA LEU 33 19.698 -3.799 8.845 257 1HB LEU 33 1HB LEU 33 20.134 -6.689 8.406 258 2HB LEU 33 2HB LEU 33 19.923 -6.229 10.092 259 HG LEU 33 HG LEU 33 18.046 -5.431 7.850 260 1HD1 LEU 33 1HD1 LEU 33 18.193 -7.932 8.562 261 2HD1 LEU 33 2HD1 LEU 33 17.429 -7.389 10.055 262 3HD1 LEU 33 3HD1 LEU 33 16.605 -7.168 8.511 263 1HD2 LEU 33 1HD2 LEU 33 18.124 -4.985 10.827 264 2HD2 LEU 33 2HD2 LEU 33 17.804 -3.819 9.543 265 3HD2 LEU 33 3HD2 LEU 33 16.581 -5.015 9.975 266 HA PRO 34 HA PRO 34 23.097 -2.704 11.394 267 1HB PRO 34 1HB PRO 34 21.722 -3.091 13.873 268 2HB PRO 34 2HB PRO 34 21.976 -1.565 13.011 269 1HG PRO 34 1HG PRO 34 19.609 -3.304 13.089 270 2HG PRO 34 2HG PRO 34 19.731 -1.570 12.759 271 1HD PRO 34 1HD PRO 34 19.183 -3.372 10.834 272 2HD PRO 34 2HD PRO 34 20.108 -1.889 10.512 273 HA PRO 35 HA PRO 35 25.102 -6.385 12.594 274 1HB PRO 35 1HB PRO 35 26.090 -5.727 15.111 275 2HB PRO 35 2HB PRO 35 26.887 -5.337 13.575 276 1HG PRO 35 1HG PRO 35 25.248 -3.618 15.346 277 2HG PRO 35 2HG PRO 35 26.642 -3.205 14.337 278 1HD PRO 35 1HD PRO 35 24.096 -2.581 13.660 279 2HD PRO 35 2HD PRO 35 25.365 -2.905 12.460 280 H ASP 36 H ASP 36 23.140 -4.838 15.139 281 HA ASP 36 HA ASP 36 22.719 -7.186 16.729 282 1HB ASP 36 1HB ASP 36 22.075 -4.468 16.747 283 2HB ASP 36 2HB ASP 36 20.509 -5.277 16.667 284 H GLN 37 H GLN 37 20.731 -5.714 14.134 285 HA GLN 37 HA GLN 37 18.664 -7.728 14.220 286 1HB GLN 37 1HB GLN 37 19.589 -5.718 12.144 287 2HB GLN 37 2HB GLN 37 18.109 -6.666 11.989 288 1HG GLN 37 1HG GLN 37 18.713 -4.900 14.376 289 2HG GLN 37 2HG GLN 37 17.775 -4.364 12.981 290 2HE2 GLN 37 2HE2 GLN 37 16.490 -4.423 15.472 291 1HE2 GLN 37 1HE2 GLN 37 15.368 -5.697 15.508 292 H ALA 38 H ALA 38 21.621 -7.344 12.270 293 HA ALA 38 HA ALA 38 21.198 -9.402 10.373 294 1HB ALA 38 1HB ALA 38 23.651 -8.270 11.735 295 2HB ALA 38 2HB ALA 38 23.760 -9.423 10.405 296 3HB ALA 38 3HB ALA 38 23.004 -7.848 10.150 297 H GLN 39 H GLN 39 22.608 -9.602 13.650 298 HA GLN 39 HA GLN 39 23.382 -12.340 13.581 299 1HB GLN 39 1HB GLN 39 23.905 -10.499 15.264 300 2HB GLN 39 2HB GLN 39 22.306 -10.791 15.951 301 1HG GLN 39 1HG GLN 39 23.457 -12.282 17.252 302 2HG GLN 39 2HG GLN 39 23.230 -13.332 15.853 303 2HE2 GLN 39 2HE2 GLN 39 25.450 -13.862 17.430 304 1HE2 GLN 39 1HE2 GLN 39 26.869 -13.365 16.642 305 H TYR 40 H TYR 40 20.316 -10.863 14.708 306 HA TYR 40 HA TYR 40 19.048 -13.332 15.439 307 1HB TYR 40 1HB TYR 40 18.443 -10.491 15.148 308 2HB TYR 40 2HB TYR 40 17.069 -11.502 14.701 309 HD1 TYR 40 HD1 TYR 40 19.784 -12.004 17.233 310 HD2 TYR 40 HD2 TYR 40 15.579 -11.515 16.510 311 HE1 TYR 40 HE1 TYR 40 19.321 -12.442 19.630 312 HE2 TYR 40 HE2 TYR 40 15.116 -11.953 18.907 313 HH TYR 40 HH TYR 40 16.971 -13.418 20.898 314 H CYS 41 H CYS 41 18.921 -11.397 12.435 315 HA CYS 41 HA CYS 41 17.014 -13.005 11.048 316 1HB CYS 41 1HB CYS 41 19.157 -11.025 10.392 317 2HB CYS 41 2HB CYS 41 18.442 -11.940 9.064 318 HG CYS 41 HG CYS 41 16.712 -10.196 11.010 319 H ILE 42 H ILE 42 20.587 -13.173 11.115 320 HA ILE 42 HA ILE 42 20.730 -15.387 9.235 321 HB ILE 42 HB ILE 42 22.623 -14.105 11.217 322 1HG1 ILE 42 1HG1 ILE 42 22.708 -14.058 8.194 323 2HG1 ILE 42 2HG1 ILE 42 21.756 -12.890 9.109 324 1HG2 ILE 42 1HG2 ILE 42 22.904 -16.542 9.552 325 2HG2 ILE 42 2HG2 ILE 42 24.243 -15.398 9.457 326 3HG2 ILE 42 3HG2 ILE 42 23.768 -16.073 11.015 327 1HD1 ILE 42 1HD1 ILE 42 24.592 -13.319 9.938 328 2HD1 ILE 42 2HD1 ILE 42 24.298 -12.404 8.460 329 3HD1 ILE 42 3HD1 ILE 42 23.618 -11.850 9.990 330 H LYS 43 H LYS 43 19.943 -15.170 12.562 331 HA LYS 43 HA LYS 43 20.991 -17.792 13.350 332 1HB LYS 43 1HB LYS 43 20.005 -15.411 14.531 333 2HB LYS 43 2HB LYS 43 18.944 -16.712 15.060 334 1HG LYS 43 1HG LYS 43 21.733 -17.537 15.117 335 2HG LYS 43 2HG LYS 43 21.465 -16.103 16.110 336 1HD LYS 43 1HD LYS 43 19.995 -17.195 17.535 337 2HD LYS 43 2HD LYS 43 19.514 -18.368 16.307 338 1HE LYS 43 1HE LYS 43 21.000 -19.831 17.192 339 2HE LYS 43 2HE LYS 43 22.310 -18.722 16.737 340 1HZ LYS 43 1HZ LYS 43 21.664 -17.408 18.773 341 2HZ LYS 43 2HZ LYS 43 20.738 -18.750 19.251 342 3HZ LYS 43 3HZ LYS 43 22.419 -18.902 19.071 343 H ARG 44 H ARG 44 18.113 -16.643 11.792 344 HA ARG 44 HA ARG 44 16.736 -19.231 12.433 345 1HB ARG 44 1HB ARG 44 15.964 -16.444 12.493 346 2HB ARG 44 2HB ARG 44 14.908 -17.345 11.403 347 1HG ARG 44 1HG ARG 44 13.980 -17.451 13.649 348 2HG ARG 44 2HG ARG 44 14.583 -19.048 13.207 349 1HD ARG 44 1HD ARG 44 15.395 -18.668 15.428 350 2HD ARG 44 2HD ARG 44 16.785 -18.341 14.374 351 HE ARG 44 HE ARG 44 15.566 -15.892 14.490 352 1HH1 ARG 44 1HH1 ARG 44 16.493 -18.224 16.868 353 2HH1 ARG 44 2HH1 ARG 44 16.759 -17.042 18.105 354 1HH2 ARG 44 1HH2 ARG 44 15.913 -14.348 16.098 355 2HH2 ARG 44 2HH2 ARG 44 16.429 -14.853 17.672 356 H MET 45 H MET 45 16.821 -16.746 9.835 357 HA MET 45 HA MET 45 15.700 -17.842 7.668 358 1HB MET 45 1HB MET 45 17.660 -15.986 8.156 359 2HB MET 45 2HB MET 45 18.516 -17.147 7.139 360 1HG MET 45 1HG MET 45 17.092 -16.814 5.327 361 2HG MET 45 2HG MET 45 15.765 -16.265 6.349 362 1HE MET 45 1HE MET 45 15.616 -14.507 7.595 363 2HE MET 45 2HE MET 45 16.980 -13.482 8.058 364 3HE MET 45 3HE MET 45 15.811 -12.913 6.871 365 HA PRO 46 HA PRO 46 17.606 -21.990 7.955 366 1HB PRO 46 1HB PRO 46 15.696 -23.064 6.213 367 2HB PRO 46 2HB PRO 46 15.595 -23.085 7.983 368 1HG PRO 46 1HG PRO 46 14.295 -21.266 6.035 369 2HG PRO 46 2HG PRO 46 13.692 -21.890 7.578 370 1HD PRO 46 1HD PRO 46 14.567 -19.365 7.307 371 2HD PRO 46 2HD PRO 46 14.792 -20.285 8.811 372 H ALA 47 H ALA 47 17.884 -23.550 5.821 373 HA ALA 47 HA ALA 47 19.466 -21.945 3.950 374 1HB ALA 47 1HB ALA 47 18.817 -24.875 4.336 375 2HB ALA 47 2HB ALA 47 20.348 -24.050 4.630 376 3HB ALA 47 3HB ALA 47 19.793 -24.314 2.977 377 H TYR 48 H TYR 48 17.424 -20.729 3.194 378 HA TYR 48 HA TYR 48 15.647 -20.429 1.647 379 1HB TYR 48 1HB TYR 48 17.852 -20.599 0.398 380 2HB TYR 48 2HB TYR 48 17.455 -22.284 0.069 381 HD1 TYR 48 HD1 TYR 48 17.852 -20.918 -2.301 382 HD2 TYR 48 HD2 TYR 48 14.365 -20.735 0.204 383 HE1 TYR 48 HE1 TYR 48 16.489 -20.214 -4.248 384 HE2 TYR 48 HE2 TYR 48 13.004 -20.029 -1.747 385 HH TYR 48 HH TYR 48 14.499 -19.516 -4.941 386 H SER 49 H SER 49 15.785 -23.105 -0.314 387 HA SER 49 HA SER 49 13.458 -24.341 1.074 388 1HB SER 49 1HB SER 49 14.199 -23.663 -1.604 389 2HB SER 49 2HB SER 49 14.002 -25.411 -1.527 390 HG SER 49 HG SER 49 12.156 -23.355 -1.073 391 H GLY 50 H GLY 50 13.351 -26.731 1.120 392 1HA GLY 50 1HA GLY 50 14.292 -28.777 1.800 393 2HA GLY 50 2HA GLY 50 15.820 -27.923 2.033 394 HA PRO 51 HA PRO 51 16.111 -29.713 -2.168 395 1HB PRO 51 1HB PRO 51 13.978 -29.797 -3.876 396 2HB PRO 51 2HB PRO 51 14.161 -30.908 -2.503 397 1HG PRO 51 1HG PRO 51 12.460 -28.490 -2.768 398 2HG PRO 51 2HG PRO 51 12.136 -30.018 -1.934 399 1HD PRO 51 1HD PRO 51 12.885 -27.702 -0.673 400 2HD PRO 51 2HD PRO 51 13.148 -29.329 -0.015 401 H GLY 52 H GLY 52 17.354 -28.737 -3.728 402 1HA GLY 52 1HA GLY 52 16.230 -26.480 -5.283 403 2HA GLY 52 2HA GLY 52 17.719 -27.350 -5.659 404 H SER 53 H SER 53 16.899 -24.380 -4.984 405 HA SER 53 HA SER 53 18.007 -22.551 -4.015 406 1HB SER 53 1HB SER 53 17.089 -23.359 -1.975 407 2HB SER 53 2HB SER 53 18.171 -24.747 -1.946 408 HG SER 53 HG SER 53 19.609 -23.550 -0.998 409 H VAL 54 H VAL 54 20.243 -22.080 -2.850 410 HA VAL 54 HA VAL 54 22.369 -23.669 -4.255 411 HB VAL 54 HB VAL 54 23.505 -21.512 -4.594 412 1HG1 VAL 54 1HG1 VAL 54 20.574 -21.438 -5.379 413 2HG1 VAL 54 2HG1 VAL 54 21.849 -20.465 -6.112 414 3HG1 VAL 54 3HG1 VAL 54 21.868 -22.219 -6.288 415 1HG2 VAL 54 1HG2 VAL 54 22.700 -20.440 -2.506 416 2HG2 VAL 54 2HG2 VAL 54 22.407 -19.418 -3.912 417 3HG2 VAL 54 3HG2 VAL 54 21.080 -20.334 -3.196 418 HA PRO 55 HA PRO 55 24.315 -23.942 -0.343 419 1HB PRO 55 1HB PRO 55 26.951 -23.514 -1.647 420 2HB PRO 55 2HB PRO 55 26.363 -24.913 -0.727 421 1HG PRO 55 1HG PRO 55 26.633 -24.985 -3.383 422 2HG PRO 55 2HG PRO 55 25.334 -25.848 -2.544 423 1HD PRO 55 1HD PRO 55 25.213 -23.336 -4.132 424 2HD PRO 55 2HD PRO 55 24.010 -24.632 -3.961 425 H GLY 56 H GLY 56 23.357 -21.419 -0.558 426 1HA GLY 56 1HA GLY 56 25.355 -19.341 -0.485 427 2HA GLY 56 2HA GLY 56 24.925 -19.845 1.150 428 H ALA 57 H ALA 57 22.151 -20.468 0.495 429 HA ALA 57 HA ALA 57 21.127 -17.669 0.191 430 1HB ALA 57 1HB ALA 57 20.341 -20.230 -1.197 431 2HB ALA 57 2HB ALA 57 19.190 -18.902 -1.043 432 3HB ALA 57 3HB ALA 57 20.704 -18.658 -1.911 433 H LEU 58 H LEU 58 19.798 -17.137 1.880 434 HA LEU 58 HA LEU 58 18.682 -19.364 3.549 435 1HB LEU 58 1HB LEU 58 19.366 -16.478 4.209 436 2HB LEU 58 2HB LEU 58 18.768 -17.671 5.361 437 HG LEU 58 HG LEU 58 21.117 -17.690 5.664 438 1HD1 LEU 58 1HD1 LEU 58 20.108 -19.956 5.356 439 2HD1 LEU 58 2HD1 LEU 58 20.556 -19.889 3.652 440 3HD1 LEU 58 3HD1 LEU 58 21.810 -19.899 4.892 441 1HD2 LEU 58 1HD2 LEU 58 21.209 -16.624 3.125 442 2HD2 LEU 58 2HD2 LEU 58 22.621 -17.122 4.057 443 3HD2 LEU 58 3HD2 LEU 58 21.908 -18.224 2.879 444 H ASP 59 H ASP 59 16.481 -19.028 4.375 445 HA ASP 59 HA ASP 59 14.864 -17.232 2.599 446 1HB ASP 59 1HB ASP 59 14.711 -19.991 3.473 447 2HB ASP 59 2HB ASP 59 13.237 -19.128 3.910 448 H TYR 60 H TYR 60 14.414 -15.367 3.731 449 HA TYR 60 HA TYR 60 14.225 -15.258 6.631 450 1HB TYR 60 1HB TYR 60 13.535 -12.903 6.092 451 2HB TYR 60 2HB TYR 60 15.012 -13.385 5.256 452 HD1 TYR 60 HD1 TYR 60 15.145 -13.276 2.908 453 HD2 TYR 60 HD2 TYR 60 11.301 -13.198 4.822 454 HE1 TYR 60 HE1 TYR 60 14.067 -12.809 0.724 455 HE2 TYR 60 HE2 TYR 60 10.223 -12.731 2.637 456 HH TYR 60 HH TYR 60 11.188 -13.318 -0.050 457 H ALA 61 H ALA 61 12.015 -15.871 4.005 458 HA ALA 61 HA ALA 61 9.534 -15.069 5.103 459 1HB ALA 61 1HB ALA 61 9.848 -17.681 3.657 460 2HB ALA 61 2HB ALA 61 8.661 -16.402 3.396 461 3HB ALA 61 3HB ALA 61 10.319 -16.197 2.828 462 H ALA 62 H ALA 62 11.447 -18.018 5.648 463 HA ALA 62 HA ALA 62 9.542 -19.410 7.265 464 1HB ALA 62 1HB ALA 62 12.382 -19.715 7.970 465 2HB ALA 62 2HB ALA 62 12.079 -19.814 6.235 466 3HB ALA 62 3HB ALA 62 11.255 -20.915 7.338 467 H PHE 63 H PHE 63 11.875 -16.904 7.926 468 HA PHE 63 HA PHE 63 11.923 -16.974 10.776 469 1HB PHE 63 1HB PHE 63 13.355 -15.715 9.044 470 2HB PHE 63 2HB PHE 63 12.064 -14.514 9.021 471 HD1 PHE 63 HD1 PHE 63 11.189 -13.993 11.597 472 HD2 PHE 63 HD2 PHE 63 15.147 -15.171 10.411 473 HE1 PHE 63 HE1 PHE 63 12.114 -12.964 13.656 474 HE2 PHE 63 HE2 PHE 63 16.067 -14.142 12.469 475 HZ PHE 63 HZ PHE 63 14.552 -13.040 14.092 476 H SER 64 H SER 64 9.727 -15.337 8.495 477 HA SER 64 HA SER 64 8.285 -13.713 10.303 478 1HB SER 64 1HB SER 64 7.289 -15.247 7.882 479 2HB SER 64 2HB SER 64 6.563 -13.790 8.555 480 HG SER 64 HG SER 64 7.864 -12.990 7.037 481 H SER 65 H SER 65 7.527 -17.069 9.276 482 HA SER 65 HA SER 65 5.232 -17.366 10.973 483 1HB SER 65 1HB SER 65 7.138 -19.487 9.949 484 2HB SER 65 2HB SER 65 5.435 -19.697 10.347 485 HG SER 65 HG SER 65 5.054 -19.125 8.370 486 H ALA 66 H ALA 66 8.686 -18.040 11.484 487 HA ALA 66 HA ALA 66 8.281 -19.361 14.049 488 1HB ALA 66 1HB ALA 66 10.481 -19.843 13.753 489 2HB ALA 66 2HB ALA 66 10.898 -18.153 13.472 490 3HB ALA 66 3HB ALA 66 10.271 -19.138 12.150 491 H LEU 67 H LEU 67 8.895 -16.039 12.999 492 HA LEU 67 HA LEU 67 9.576 -15.069 15.668 493 1HB LEU 67 1HB LEU 67 10.458 -13.656 14.111 494 2HB LEU 67 2HB LEU 67 9.289 -14.124 12.888 495 HG LEU 67 HG LEU 67 7.600 -12.670 13.973 496 1HD1 LEU 67 1HD1 LEU 67 8.856 -12.873 16.246 497 2HD1 LEU 67 2HD1 LEU 67 9.826 -11.527 15.651 498 3HD1 LEU 67 3HD1 LEU 67 8.084 -11.338 15.852 499 1HD2 LEU 67 1HD2 LEU 67 10.217 -11.606 12.974 500 2HD2 LEU 67 2HD2 LEU 67 8.616 -11.506 12.240 501 3HD2 LEU 67 3HD2 LEU 67 9.031 -10.459 13.598 502 H TYR 68 H TYR 68 6.713 -14.843 13.550 503 HA TYR 68 HA TYR 68 5.122 -13.795 15.844 504 1HB TYR 68 1HB TYR 68 4.943 -13.805 12.853 505 2HB TYR 68 2HB TYR 68 3.456 -13.619 13.782 506 HD1 TYR 68 HD1 TYR 68 5.894 -11.790 12.178 507 HD2 TYR 68 HD2 TYR 68 3.908 -11.995 15.981 508 HE1 TYR 68 HE1 TYR 68 6.451 -9.410 12.599 509 HE2 TYR 68 HE2 TYR 68 4.464 -9.615 16.401 510 HH TYR 68 HH TYR 68 5.691 -7.554 13.938 511 H GLY 69 H GLY 69 5.990 -16.749 15.084 512 1HA GLY 69 1HA GLY 69 4.845 -18.844 14.795 513 2HA GLY 69 2HA GLY 69 3.306 -17.985 14.893 514 H GLU 70 H GLU 70 3.446 -16.634 17.241 515 HA GLU 70 HA GLU 70 3.812 -18.822 19.258 516 1HB GLU 70 1HB GLU 70 4.738 -15.960 19.202 517 2HB GLU 70 2HB GLU 70 4.433 -16.749 20.750 518 1HG GLU 70 1HG GLU 70 6.094 -18.179 18.704 519 2HG GLU 70 2HG GLU 70 6.830 -16.879 19.642 520 H SER 71 H SER 71 2.539 -15.467 19.202 521 HA SER 71 HA SER 71 0.416 -15.974 21.050 522 1HB SER 71 1HB SER 71 1.174 -13.883 19.046 523 2HB SER 71 2HB SER 71 -0.446 -13.817 19.737 524 HG SER 71 HG SER 71 1.853 -13.049 20.822 525 H ASP 72 H ASP 72 -1.232 -17.404 20.644 526 HA ASP 72 HA ASP 72 -2.035 -18.250 18.008 527 1HB ASP 72 1HB ASP 72 -3.263 -18.436 20.774 528 2HB ASP 72 2HB ASP 72 -3.926 -19.268 19.367 529 H LEU 73 H LEU 73 -2.882 -16.670 16.654 530 HA LEU 73 HA LEU 73 -4.306 -14.350 17.325 531 1HB LEU 73 1HB LEU 73 -3.395 -15.387 15.078 532 2HB LEU 73 2HB LEU 73 -5.038 -16.011 14.928 533 HG LEU 73 HG LEU 73 -5.684 -13.509 15.541 534 1HD1 LEU 73 1HD1 LEU 73 -2.838 -13.392 14.567 535 2HD1 LEU 73 2HD1 LEU 73 -3.949 -12.067 14.225 536 3HD1 LEU 73 3HD1 LEU 73 -3.588 -12.507 15.894 537 1HD2 LEU 73 1HD2 LEU 73 -5.556 -15.042 13.208 538 2HD2 LEU 73 2HD2 LEU 73 -6.413 -13.512 13.400 539 3HD2 LEU 73 3HD2 LEU 73 -4.766 -13.527 12.770 540 H GLY 7 H GLY 7 13.211 6.732 -0.735 541 1HA GLY 7 1HA GLY 7 15.085 5.450 0.177 542 2HA GLY 7 2HA GLY 7 15.725 5.301 -1.461 543 H LYS 8 H LYS 8 12.550 4.612 0.059 544 HA LYS 8 HA LYS 8 11.161 2.710 -0.171 545 1HB LYS 8 1HB LYS 8 12.270 3.220 -2.620 546 2HB LYS 8 2HB LYS 8 12.828 1.570 -2.337 547 1HG LYS 8 1HG LYS 8 10.195 1.445 -1.526 548 2HG LYS 8 2HG LYS 8 10.115 2.557 -2.892 549 1HD LYS 8 1HD LYS 8 9.857 0.346 -3.794 550 2HD LYS 8 2HD LYS 8 11.490 0.872 -4.204 551 1HE LYS 8 1HE LYS 8 12.455 -0.449 -2.437 552 2HE LYS 8 2HE LYS 8 10.857 -0.794 -1.747 553 1HZ LYS 8 1HZ LYS 8 11.505 -1.454 -4.556 554 2HZ LYS 8 2HZ LYS 8 11.850 -2.540 -3.295 555 3HZ LYS 8 3HZ LYS 8 10.247 -2.062 -3.593 556 H LYS 9 H LYS 9 14.474 1.609 -1.037 557 HA LYS 9 HA LYS 9 14.324 -0.897 0.295 558 1HB LYS 9 1HB LYS 9 16.071 0.373 -1.329 559 2HB LYS 9 2HB LYS 9 16.913 0.571 0.209 560 1HG LYS 9 1HG LYS 9 16.382 -1.985 0.510 561 2HG LYS 9 2HG LYS 9 16.202 -1.960 -1.244 562 1HD LYS 9 1HD LYS 9 18.637 -0.885 0.202 563 2HD LYS 9 2HD LYS 9 18.534 -2.520 -0.452 564 1HE LYS 9 1HE LYS 9 18.777 -1.800 -2.612 565 2HE LYS 9 2HE LYS 9 17.774 -0.361 -2.340 566 1HZ LYS 9 1HZ LYS 9 20.506 -0.732 -1.235 567 2HZ LYS 9 2HZ LYS 9 20.161 0.167 -2.632 568 3HZ LYS 9 3HZ LYS 9 19.547 0.666 -1.128 569 H ALA 10 H ALA 10 15.405 2.292 1.470 570 HA ALA 10 HA ALA 10 16.337 1.446 4.040 571 1HB ALA 10 1HB ALA 10 15.330 4.026 4.316 572 2HB ALA 10 2HB ALA 10 16.948 3.616 3.743 573 3HB ALA 10 3HB ALA 10 15.647 3.897 2.585 574 H GLU 11 H GLU 11 13.119 2.326 2.835 575 HA GLU 11 HA GLU 11 11.778 2.428 5.373 576 1HB GLU 11 1HB GLU 11 11.169 3.080 2.850 577 2HB GLU 11 2HB GLU 11 10.414 1.486 2.883 578 1HG GLU 11 1HG GLU 11 9.918 3.397 5.145 579 2HG GLU 11 2HG GLU 11 9.028 3.592 3.635 580 H ALA 12 H ALA 12 12.337 -0.214 3.047 581 HA ALA 12 HA ALA 12 10.747 -2.208 4.335 582 1HB ALA 12 1HB ALA 12 13.184 -3.193 3.077 583 2HB ALA 12 2HB ALA 12 12.430 -1.924 2.112 584 3HB ALA 12 3HB ALA 12 11.512 -3.366 2.545 585 H VAL 13 H VAL 13 14.179 -1.300 4.740 586 HA VAL 13 HA VAL 13 14.875 -3.361 6.603 587 HB VAL 13 HB VAL 13 15.907 -0.524 6.260 588 1HG1 VAL 13 1HG1 VAL 13 16.658 -1.598 8.358 589 2HG1 VAL 13 2HG1 VAL 13 17.226 -2.991 7.436 590 3HG1 VAL 13 3HG1 VAL 13 17.993 -1.418 7.220 591 1HG2 VAL 13 1HG2 VAL 13 15.908 -1.865 4.171 592 2HG2 VAL 13 2HG2 VAL 13 17.547 -1.561 4.744 593 3HG2 VAL 13 3HG2 VAL 13 16.802 -3.139 5.002 594 H ALA 14 H ALA 14 13.568 -0.076 7.056 595 HA ALA 14 HA ALA 14 13.704 0.036 9.900 596 1HB ALA 14 1HB ALA 14 13.260 1.997 8.593 597 2HB ALA 14 2HB ALA 14 11.873 1.240 7.809 598 3HB ALA 14 3HB ALA 14 11.786 1.692 9.512 599 H THR 15 H THR 15 11.203 -1.277 7.728 600 HA THR 15 HA THR 15 9.251 -1.851 9.756 601 HB THR 15 HB THR 15 9.863 -2.999 7.017 602 HG1 THR 15 HG1 THR 15 8.760 -1.345 6.376 603 1HG2 THR 15 1HG2 THR 15 7.664 -3.588 8.977 604 2HG2 THR 15 2HG2 THR 15 7.338 -3.654 7.245 605 3HG2 THR 15 3HG2 THR 15 8.567 -4.703 7.951 606 H VAL 16 H VAL 16 11.829 -3.845 8.286 607 HA VAL 16 HA VAL 16 11.222 -6.251 9.744 608 HB VAL 16 HB VAL 16 13.793 -5.211 8.505 609 1HG1 VAL 16 1HG1 VAL 16 13.928 -7.201 10.123 610 2HG1 VAL 16 2HG1 VAL 16 12.977 -8.090 8.933 611 3HG1 VAL 16 3HG1 VAL 16 14.567 -7.462 8.500 612 1HG2 VAL 16 1HG2 VAL 16 11.309 -5.875 7.332 613 2HG2 VAL 16 2HG2 VAL 16 12.845 -5.622 6.502 614 3HG2 VAL 16 3HG2 VAL 16 12.376 -7.243 7.014 615 H VAL 17 H VAL 17 13.462 -3.544 10.366 616 HA VAL 17 HA VAL 17 14.811 -4.603 12.624 617 HB VAL 17 HB VAL 17 13.966 -1.776 11.912 618 1HG1 VAL 17 1HG1 VAL 17 14.873 -2.506 14.345 619 2HG1 VAL 17 2HG1 VAL 17 16.415 -2.336 13.507 620 3HG1 VAL 17 3HG1 VAL 17 15.304 -0.970 13.595 621 1HG2 VAL 17 1HG2 VAL 17 15.506 -3.398 10.423 622 2HG2 VAL 17 2HG2 VAL 17 15.843 -1.672 10.573 623 3HG2 VAL 17 3HG2 VAL 17 16.735 -2.834 11.555 624 H ALA 18 H ALA 18 11.844 -2.586 12.527 625 HA ALA 18 HA ALA 18 11.389 -2.591 15.357 626 1HB ALA 18 1HB ALA 18 10.162 -1.691 12.916 627 2HB ALA 18 2HB ALA 18 9.892 -1.105 14.556 628 3HB ALA 18 3HB ALA 18 8.933 -2.445 13.931 629 H ALA 19 H ALA 19 10.295 -4.772 12.760 630 HA ALA 19 HA ALA 19 8.518 -6.346 14.388 631 1HB ALA 19 1HB ALA 19 8.125 -6.763 12.178 632 2HB ALA 19 2HB ALA 19 9.789 -6.402 11.721 633 3HB ALA 19 3HB ALA 19 9.377 -7.991 12.366 634 H VAL 20 H VAL 20 11.928 -6.823 13.404 635 HA VAL 20 HA VAL 20 12.285 -9.306 14.816 636 HB VAL 20 HB VAL 20 14.191 -7.134 13.889 637 1HG1 VAL 20 1HG1 VAL 20 14.711 -9.970 14.827 638 2HG1 VAL 20 2HG1 VAL 20 15.901 -8.967 13.998 639 3HG1 VAL 20 3HG1 VAL 20 15.294 -8.486 15.582 640 1HG2 VAL 20 1HG2 VAL 20 12.811 -9.430 12.621 641 2HG2 VAL 20 2HG2 VAL 20 13.424 -7.946 11.893 642 3HG2 VAL 20 3HG2 VAL 20 14.526 -9.278 12.239 643 H ASP 21 H ASP 21 13.082 -5.921 15.664 644 HA ASP 21 HA ASP 21 14.289 -6.397 18.184 645 1HB ASP 21 1HB ASP 21 13.874 -4.266 16.660 646 2HB ASP 21 2HB ASP 21 12.468 -4.059 17.706 647 H GLN 22 H GLN 22 10.851 -6.065 17.304 648 HA GLN 22 HA GLN 22 9.691 -5.932 19.872 649 1HB GLN 22 1HB GLN 22 8.904 -6.229 17.212 650 2HB GLN 22 2HB GLN 22 8.289 -7.686 17.995 651 1HG GLN 22 1HG GLN 22 7.894 -4.990 19.277 652 2HG GLN 22 2HG GLN 22 6.800 -5.544 18.009 653 2HE2 GLN 22 2HE2 GLN 22 7.158 -5.531 21.331 654 1HE2 GLN 22 1HE2 GLN 22 6.229 -6.901 21.710 655 H ALA 23 H ALA 23 10.620 -8.827 17.982 656 HA ALA 23 HA ALA 23 9.763 -10.764 19.917 657 1HB ALA 23 1HB ALA 23 10.483 -12.142 18.261 658 2HB ALA 23 2HB ALA 23 10.869 -10.676 17.358 659 3HB ALA 23 3HB ALA 23 12.114 -11.472 18.322 660 H ARG 24 H ARG 24 12.847 -9.053 19.423 661 HA ARG 24 HA ARG 24 14.411 -10.474 21.345 662 1HB ARG 24 1HB ARG 24 15.265 -8.929 19.612 663 2HB ARG 24 2HB ARG 24 14.494 -7.576 20.439 664 1HG ARG 24 1HG ARG 24 16.036 -7.560 22.148 665 2HG ARG 24 2HG ARG 24 16.319 -9.299 22.050 666 1HD ARG 24 1HD ARG 24 17.768 -9.075 20.179 667 2HD ARG 24 2HD ARG 24 17.210 -7.423 19.846 668 HE ARG 24 HE ARG 24 19.164 -8.182 21.884 669 1HH1 ARG 24 1HH1 ARG 24 16.733 -5.940 20.885 670 2HH1 ARG 24 2HH1 ARG 24 17.385 -4.627 21.807 671 1HH2 ARG 24 1HH2 ARG 24 20.019 -6.478 23.090 672 2HH2 ARG 24 2HH2 ARG 24 19.241 -4.931 23.055 673 H VAL 25 H VAL 25 12.178 -7.732 21.666 674 HA VAL 25 HA VAL 25 12.821 -7.225 24.461 675 HB VAL 25 HB VAL 25 10.533 -6.437 22.634 676 1HG1 VAL 25 1HG1 VAL 25 10.983 -6.032 25.510 677 2HG1 VAL 25 2HG1 VAL 25 10.710 -4.532 24.624 678 3HG1 VAL 25 3HG1 VAL 25 9.510 -5.823 24.564 679 1HG2 VAL 25 1HG2 VAL 25 13.268 -5.572 22.926 680 2HG2 VAL 25 2HG2 VAL 25 12.050 -5.003 21.786 681 3HG2 VAL 25 3HG2 VAL 25 12.184 -4.256 23.378 682 H ARG 26 H ARG 26 10.723 -9.391 22.753 683 HA ARG 26 HA ARG 26 9.011 -9.923 25.104 684 1HB ARG 26 1HB ARG 26 8.611 -9.942 22.420 685 2HB ARG 26 2HB ARG 26 8.970 -11.649 22.684 686 1HG ARG 26 1HG ARG 26 7.252 -10.969 24.782 687 2HG ARG 26 2HG ARG 26 6.575 -10.148 23.375 688 1HD ARG 26 1HD ARG 26 6.870 -12.395 22.134 689 2HD ARG 26 2HD ARG 26 7.082 -13.107 23.746 690 HE ARG 26 HE ARG 26 4.586 -12.023 22.680 691 1HH1 ARG 26 1HH1 ARG 26 6.504 -12.683 25.476 692 2HH1 ARG 26 2HH1 ARG 26 5.148 -12.734 26.553 693 1HH2 ARG 26 1HH2 ARG 26 2.812 -12.088 24.074 694 2HH2 ARG 26 2HH2 ARG 26 3.061 -12.400 25.760 695 H GLU 27 H GLU 27 12.045 -10.581 24.862 696 HA GLU 27 HA GLU 27 11.890 -13.534 25.312 697 1HB GLU 27 1HB GLU 27 13.436 -12.323 23.610 698 2HB GLU 27 2HB GLU 27 14.377 -11.847 25.026 699 1HG GLU 27 1HG GLU 27 15.285 -13.923 24.107 700 2HG GLU 27 2HG GLU 27 14.546 -14.248 25.676 701 HA PRO 28 HA PRO 28 12.160 -12.588 29.643 702 1HB PRO 28 1HB PRO 28 13.050 -15.346 30.037 703 2HB PRO 28 2HB PRO 28 11.540 -14.581 30.560 704 1HG PRO 28 1HG PRO 28 11.674 -16.465 28.615 705 2HG PRO 28 2HG PRO 28 10.418 -15.221 28.697 706 1HD PRO 28 1HD PRO 28 12.820 -15.367 26.944 707 2HD PRO 28 2HD PRO 28 11.196 -14.734 26.596 708 H ARG 29 H ARG 29 14.644 -14.071 27.667 709 HA ARG 29 HA ARG 29 16.720 -13.229 29.660 710 1HB ARG 29 1HB ARG 29 16.641 -15.625 29.189 711 2HB ARG 29 2HB ARG 29 16.709 -15.313 27.453 712 1HG ARG 29 1HG ARG 29 18.924 -15.957 28.514 713 2HG ARG 29 2HG ARG 29 18.941 -14.439 27.615 714 1HD ARG 29 1HD ARG 29 19.078 -13.138 29.548 715 2HD ARG 29 2HD ARG 29 18.317 -14.384 30.558 716 HE ARG 29 HE ARG 29 20.434 -15.423 30.788 717 1HH1 ARG 29 1HH1 ARG 29 20.379 -13.129 28.206 718 2HH1 ARG 29 2HH1 ARG 29 22.080 -13.235 27.905 719 1HH2 ARG 29 1HH2 ARG 29 22.653 -15.572 30.399 720 2HH2 ARG 29 2HH2 ARG 29 23.365 -14.617 29.142 No H/Q in entry = 720 Start of MODEL 11 1 H MET 1 H MET 1 -1.821 -8.840 -5.270 2 HA MET 1 HA MET 1 -4.534 -9.071 -4.524 3 1HB MET 1 1HB MET 1 -3.269 -9.616 -6.710 4 2HB MET 1 2HB MET 1 -2.957 -11.195 -5.987 5 1HG MET 1 1HG MET 1 -5.117 -11.874 -6.229 6 2HG MET 1 2HG MET 1 -5.763 -10.287 -5.809 7 1HE MET 1 1HE MET 1 -7.397 -9.960 -7.110 8 2HE MET 1 2HE MET 1 -7.443 -9.641 -8.843 9 3HE MET 1 3HE MET 1 -7.540 -11.300 -8.256 10 H ALA 2 H ALA 2 -5.459 -10.153 -2.832 11 HA ALA 2 HA ALA 2 -5.655 -11.619 -0.980 12 1HB ALA 2 1HB ALA 2 -4.857 -13.993 -1.756 13 2HB ALA 2 2HB ALA 2 -6.181 -13.217 -2.626 14 3HB ALA 2 3HB ALA 2 -4.551 -13.194 -3.299 15 H ASP 3 H ASP 3 -4.046 -10.470 0.340 16 HA ASP 3 HA ASP 3 -1.443 -11.952 0.548 17 1HB ASP 3 1HB ASP 3 -0.588 -9.667 1.319 18 2HB ASP 3 2HB ASP 3 -1.036 -9.777 -0.384 19 H THR 4 H THR 4 -0.492 -10.984 2.887 20 HA THR 4 HA THR 4 -2.666 -11.542 4.881 21 HB THR 4 HB THR 4 0.164 -12.144 5.538 22 HG1 THR 4 HG1 THR 4 0.139 -14.005 4.251 23 1HG2 THR 4 1HG2 THR 4 -1.859 -12.694 6.945 24 2HG2 THR 4 2HG2 THR 4 -2.340 -13.838 5.692 25 3HG2 THR 4 3HG2 THR 4 -0.832 -14.078 6.574 26 H ASP 5 H ASP 5 -1.592 -10.845 7.195 27 HA ASP 5 HA ASP 5 -0.566 -8.046 6.821 28 1HB ASP 5 1HB ASP 5 -1.949 -7.479 8.757 29 2HB ASP 5 2HB ASP 5 -2.948 -8.299 7.556 30 H THR 6 H THR 6 0.880 -7.290 8.525 31 HA THR 6 HA THR 6 2.614 -7.541 10.114 32 HB THR 6 HB THR 6 1.295 -10.170 10.808 33 HG1 THR 6 HG1 THR 6 0.384 -7.531 11.188 34 1HG2 THR 6 1HG2 THR 6 2.790 -8.018 12.312 35 2HG2 THR 6 2HG2 THR 6 1.848 -9.262 13.135 36 3HG2 THR 6 3HG2 THR 6 3.224 -9.718 12.131 37 H ALA 7 H ALA 7 1.912 -10.937 9.218 38 HA ALA 7 HA ALA 7 4.683 -11.644 8.900 39 1HB ALA 7 1HB ALA 7 1.983 -12.796 8.336 40 2HB ALA 7 2HB ALA 7 3.367 -13.554 7.548 41 3HB ALA 7 3HB ALA 7 3.299 -13.456 9.307 42 H GLU 8 H GLU 8 2.104 -10.841 6.566 43 HA GLU 8 HA GLU 8 3.576 -11.217 4.165 44 1HB GLU 8 1HB GLU 8 1.106 -10.838 4.463 45 2HB GLU 8 2HB GLU 8 1.453 -9.139 4.792 46 1HG GLU 8 1HG GLU 8 0.892 -9.306 2.456 47 2HG GLU 8 2HG GLU 8 2.634 -9.046 2.556 48 H GLN 9 H GLN 9 3.388 -8.444 6.379 49 HA GLN 9 HA GLN 9 4.751 -6.524 4.768 50 1HB GLN 9 1HB GLN 9 3.464 -6.427 7.065 51 2HB GLN 9 2HB GLN 9 5.065 -6.709 7.753 52 1HG GLN 9 1HG GLN 9 5.341 -4.465 7.595 53 2HG GLN 9 2HG GLN 9 5.559 -4.751 5.868 54 2HE2 GLN 9 2HE2 GLN 9 3.853 -2.813 7.927 55 1HE2 GLN 9 1HE2 GLN 9 2.463 -2.543 6.990 56 H VAL 10 H VAL 10 6.030 -8.799 7.228 57 HA VAL 10 HA VAL 10 8.768 -8.071 7.046 58 HB VAL 10 HB VAL 10 7.558 -10.820 7.488 59 1HG1 VAL 10 1HG1 VAL 10 10.219 -9.562 7.963 60 2HG1 VAL 10 2HG1 VAL 10 9.613 -10.653 9.210 61 3HG1 VAL 10 3HG1 VAL 10 9.821 -11.232 7.558 62 1HG2 VAL 10 1HG2 VAL 10 7.221 -8.353 8.948 63 2HG2 VAL 10 2HG2 VAL 10 6.532 -9.941 9.293 64 3HG2 VAL 10 3HG2 VAL 10 8.115 -9.507 9.938 65 H ILE 11 H ILE 11 7.014 -10.669 5.310 66 HA ILE 11 HA ILE 11 9.152 -11.550 3.666 67 HB ILE 11 HB ILE 11 6.146 -11.414 3.278 68 1HG1 ILE 11 1HG1 ILE 11 7.680 -13.929 3.773 69 2HG1 ILE 11 2HG1 ILE 11 7.490 -12.815 5.129 70 1HG2 ILE 11 1HG2 ILE 11 8.183 -12.048 1.367 71 2HG2 ILE 11 2HG2 ILE 11 7.337 -13.536 1.791 72 3HG2 ILE 11 3HG2 ILE 11 6.433 -12.153 1.174 73 1HD1 ILE 11 1HD1 ILE 11 4.957 -12.894 3.967 74 2HD1 ILE 11 2HD1 ILE 11 5.514 -14.566 3.889 75 3HD1 ILE 11 3HD1 ILE 11 5.448 -13.729 5.440 76 H ALA 12 H ALA 12 6.605 -9.122 2.973 77 HA ALA 12 HA ALA 12 7.516 -8.344 0.394 78 1HB ALA 12 1HB ALA 12 5.388 -7.596 1.101 79 2HB ALA 12 2HB ALA 12 6.007 -7.029 2.652 80 3HB ALA 12 3HB ALA 12 6.364 -6.129 1.178 81 H SER 13 H SER 13 8.402 -7.166 3.639 82 HA SER 13 HA SER 13 10.217 -5.112 2.737 83 1HB SER 13 1HB SER 13 10.035 -6.717 5.310 84 2HB SER 13 2HB SER 13 10.960 -5.230 5.115 85 HG SER 13 HG SER 13 9.167 -4.117 5.190 86 H PHE 14 H PHE 14 10.579 -8.552 3.559 87 HA PHE 14 HA PHE 14 13.461 -8.630 3.408 88 1HB PHE 14 1HB PHE 14 11.146 -10.486 3.510 89 2HB PHE 14 2HB PHE 14 12.621 -11.153 2.809 90 HD1 PHE 14 HD1 PHE 14 10.930 -11.072 5.754 91 HD2 PHE 14 HD2 PHE 14 14.810 -10.055 4.217 92 HE1 PHE 14 HE1 PHE 14 11.896 -11.330 8.024 93 HE2 PHE 14 HE2 PHE 14 15.777 -10.315 6.485 94 HZ PHE 14 HZ PHE 14 14.320 -10.951 8.389 95 H ARG 15 H ARG 15 10.877 -9.336 1.039 96 HA ARG 15 HA ARG 15 12.464 -10.201 -1.130 97 1HB ARG 15 1HB ARG 15 9.831 -9.739 -0.634 98 2HB ARG 15 2HB ARG 15 10.189 -8.369 -1.687 99 1HG ARG 15 1HG ARG 15 11.455 -10.435 -2.991 100 2HG ARG 15 2HG ARG 15 10.029 -11.236 -2.333 101 1HD ARG 15 1HD ARG 15 8.835 -9.012 -3.266 102 2HD ARG 15 2HD ARG 15 10.202 -9.087 -4.395 103 HE ARG 15 HE ARG 15 9.113 -11.712 -4.101 104 1HH1 ARG 15 1HH1 ARG 15 8.392 -8.594 -5.404 105 2HH1 ARG 15 2HH1 ARG 15 7.376 -9.213 -6.660 106 1HH2 ARG 15 1HH2 ARG 15 7.789 -12.528 -5.737 107 2HH2 ARG 15 2HH2 ARG 15 7.032 -11.437 -6.848 108 H ILE 16 H ILE 16 11.463 -6.868 -0.279 109 HA ILE 16 HA ILE 16 12.813 -5.521 -2.399 110 HB ILE 16 HB ILE 16 12.014 -4.789 0.429 111 1HG1 ILE 16 1HG1 ILE 16 10.895 -3.953 -2.264 112 2HG1 ILE 16 2HG1 ILE 16 10.258 -5.291 -1.305 113 1HG2 ILE 16 1HG2 ILE 16 13.558 -3.249 -1.595 114 2HG2 ILE 16 2HG2 ILE 16 12.252 -2.390 -0.781 115 3HG2 ILE 16 3HG2 ILE 16 13.555 -3.110 0.164 116 1HD1 ILE 16 1HD1 ILE 16 10.600 -2.671 0.077 117 2HD1 ILE 16 2HD1 ILE 16 9.282 -2.801 -1.087 118 3HD1 ILE 16 3HD1 ILE 16 9.353 -3.900 0.289 119 H LEU 17 H LEU 17 13.900 -6.398 0.886 120 HA LEU 17 HA LEU 17 16.482 -5.177 0.769 121 1HB LEU 17 1HB LEU 17 14.969 -7.112 2.379 122 2HB LEU 17 2HB LEU 17 16.704 -7.431 2.374 123 HG LEU 17 HG LEU 17 16.054 -5.888 4.207 124 1HD1 LEU 17 1HD1 LEU 17 18.174 -5.659 2.457 125 2HD1 LEU 17 2HD1 LEU 17 17.510 -4.025 2.458 126 3HD1 LEU 17 3HD1 LEU 17 18.016 -4.771 3.973 127 1HD2 LEU 17 1HD2 LEU 17 14.441 -4.759 2.164 128 2HD2 LEU 17 2HD2 LEU 17 14.583 -4.222 3.838 129 3HD2 LEU 17 3HD2 LEU 17 15.631 -3.532 2.599 130 H ALA 18 H ALA 18 15.344 -8.422 -0.161 131 HA ALA 18 HA ALA 18 18.021 -9.298 -0.988 132 1HB ALA 18 1HB ALA 18 16.845 -11.356 -1.499 133 2HB ALA 18 2HB ALA 18 15.291 -10.522 -1.491 134 3HB ALA 18 3HB ALA 18 16.190 -10.728 0.013 135 H SER 19 H SER 19 16.043 -7.092 -2.335 136 HA SER 19 HA SER 19 15.947 -6.199 -4.528 137 1HB SER 19 1HB SER 19 18.382 -7.283 -4.284 138 2HB SER 19 2HB SER 19 17.741 -8.387 -5.497 139 HG SER 19 HG SER 19 18.345 -5.684 -5.658 140 H ASP 20 H ASP 20 13.725 -7.450 -4.134 141 HA ASP 20 HA ASP 20 12.019 -8.817 -5.044 142 1HB ASP 20 1HB ASP 20 13.818 -8.308 -7.437 143 2HB ASP 20 2HB ASP 20 12.145 -8.862 -7.535 144 H LYS 21 H LYS 21 13.466 -10.518 -3.651 145 HA LYS 21 HA LYS 21 13.883 -12.844 -5.475 146 1HB LYS 21 1HB LYS 21 15.767 -11.672 -3.416 147 2HB LYS 21 2HB LYS 21 15.937 -13.324 -4.011 148 1HG LYS 21 1HG LYS 21 15.729 -12.093 -6.374 149 2HG LYS 21 2HG LYS 21 16.373 -10.742 -5.442 150 1HD LYS 21 1HD LYS 21 18.295 -12.046 -4.761 151 2HD LYS 21 2HD LYS 21 17.619 -13.502 -5.491 152 1HE LYS 21 1HE LYS 21 18.045 -11.063 -7.204 153 2HE LYS 21 2HE LYS 21 19.411 -12.137 -6.842 154 1HZ LYS 21 1HZ LYS 21 17.883 -14.016 -7.461 155 2HZ LYS 21 2HZ LYS 21 16.819 -12.852 -8.094 156 3HZ LYS 21 3HZ LYS 21 18.376 -13.031 -8.750 157 HA PRO 22 HA PRO 22 11.479 -14.710 -2.305 158 1HB PRO 22 1HB PRO 22 12.048 -17.365 -2.955 159 2HB PRO 22 2HB PRO 22 10.780 -16.379 -3.707 160 1HG PRO 22 1HG PRO 22 13.488 -17.055 -4.698 161 2HG PRO 22 2HG PRO 22 11.981 -16.806 -5.594 162 1HD PRO 22 1HD PRO 22 13.964 -14.969 -5.521 163 2HD PRO 22 2HD PRO 22 12.250 -14.531 -5.675 164 H TYR 23 H TYR 23 14.810 -14.708 -2.481 165 HA TYR 23 HA TYR 23 15.020 -15.910 0.245 166 1HB TYR 23 1HB TYR 23 17.020 -17.158 -0.525 167 2HB TYR 23 2HB TYR 23 15.586 -17.627 -1.440 168 HD1 TYR 23 HD1 TYR 23 18.880 -16.106 -1.588 169 HD2 TYR 23 HD2 TYR 23 15.196 -16.652 -3.726 170 HE1 TYR 23 HE1 TYR 23 20.006 -15.443 -3.696 171 HE2 TYR 23 HE2 TYR 23 16.320 -15.990 -5.834 172 HH TYR 23 HH TYR 23 19.659 -15.830 -6.164 173 H ILE 24 H ILE 24 17.068 -15.215 1.330 174 HA ILE 24 HA ILE 24 18.177 -12.690 0.154 175 HB ILE 24 HB ILE 24 16.405 -12.662 2.103 176 1HG1 ILE 24 1HG1 ILE 24 17.713 -10.720 1.233 177 2HG1 ILE 24 2HG1 ILE 24 17.424 -10.627 2.970 178 1HG2 ILE 24 1HG2 ILE 24 17.725 -14.356 3.445 179 2HG2 ILE 24 2HG2 ILE 24 18.949 -13.109 3.685 180 3HG2 ILE 24 3HG2 ILE 24 17.320 -12.880 4.320 181 1HD1 ILE 24 1HD1 ILE 24 19.780 -12.032 2.879 182 2HD1 ILE 24 2HD1 ILE 24 19.961 -10.942 1.504 183 3HD1 ILE 24 3HD1 ILE 24 19.666 -10.288 3.114 184 H LEU 25 H LEU 25 20.412 -12.460 0.348 185 HA LEU 25 HA LEU 25 21.959 -14.828 1.091 186 1HB LEU 25 1HB LEU 25 22.611 -12.034 0.113 187 2HB LEU 25 2HB LEU 25 23.840 -13.271 0.378 188 HG LEU 25 HG LEU 25 21.672 -14.387 -1.157 189 1HD1 LEU 25 1HD1 LEU 25 22.881 -11.801 -2.171 190 2HD1 LEU 25 2HD1 LEU 25 22.089 -12.975 -3.220 191 3HD1 LEU 25 3HD1 LEU 25 21.170 -12.167 -1.950 192 1HD2 LEU 25 1HD2 LEU 25 24.130 -15.068 -0.975 193 2HD2 LEU 25 2HD2 LEU 25 23.461 -15.047 -2.606 194 3HD2 LEU 25 3HD2 LEU 25 24.485 -13.720 -2.056 195 H ALA 26 H ALA 26 23.337 -15.005 2.885 196 HA ALA 26 HA ALA 26 22.660 -13.627 5.293 197 1HB ALA 26 1HB ALA 26 25.047 -15.268 4.403 198 2HB ALA 26 2HB ALA 26 23.642 -15.829 5.307 199 3HB ALA 26 3HB ALA 26 24.808 -14.751 6.072 200 H GLU 27 H GLU 27 25.238 -13.086 2.908 201 HA GLU 27 HA GLU 27 26.675 -11.101 4.424 202 1HB GLU 27 1HB GLU 27 26.453 -12.025 1.581 203 2HB GLU 27 2HB GLU 27 27.344 -10.543 1.921 204 1HG GLU 27 1HG GLU 27 28.782 -11.734 3.505 205 2HG GLU 27 2HG GLU 27 27.864 -13.220 3.247 206 H GLU 28 H GLU 28 23.946 -10.959 2.160 207 HA GLU 28 HA GLU 28 23.898 -8.108 1.815 208 1HB GLU 28 1HB GLU 28 21.901 -10.365 1.587 209 2HB GLU 28 2HB GLU 28 21.440 -8.698 1.242 210 1HG GLU 28 1HG GLU 28 23.468 -8.627 -0.329 211 2HG GLU 28 2HG GLU 28 23.517 -10.383 -0.165 212 H LEU 29 H LEU 29 22.016 -10.241 4.007 213 HA LEU 29 HA LEU 29 20.709 -8.078 5.387 214 1HB LEU 29 1HB LEU 29 19.860 -9.807 6.750 215 2HB LEU 29 2HB LEU 29 20.162 -10.610 5.213 216 HG LEU 29 HG LEU 29 22.541 -11.060 6.309 217 1HD1 LEU 29 1HD1 LEU 29 21.607 -9.683 8.367 218 2HD1 LEU 29 2HD1 LEU 29 20.862 -11.225 8.784 219 3HD1 LEU 29 3HD1 LEU 29 22.615 -11.105 8.631 220 1HD2 LEU 29 1HD2 LEU 29 20.778 -12.719 5.579 221 2HD2 LEU 29 2HD2 LEU 29 21.736 -13.236 6.967 222 3HD2 LEU 29 3HD2 LEU 29 20.103 -12.615 7.206 223 H ARG 30 H ARG 30 23.763 -9.776 5.871 224 HA ARG 30 HA ARG 30 24.351 -8.798 8.508 225 1HB ARG 30 1HB ARG 30 25.705 -10.109 6.222 226 2HB ARG 30 2HB ARG 30 26.769 -9.220 7.313 227 1HG ARG 30 1HG ARG 30 25.513 -10.454 9.214 228 2HG ARG 30 2HG ARG 30 24.953 -11.541 7.944 229 1HD ARG 30 1HD ARG 30 27.050 -12.441 7.598 230 2HD ARG 30 2HD ARG 30 27.877 -10.927 8.011 231 HE ARG 30 HE ARG 30 26.434 -12.117 10.259 232 1HH1 ARG 30 1HH1 ARG 30 29.364 -11.977 8.431 233 2HH1 ARG 30 2HH1 ARG 30 30.356 -12.524 9.740 234 1HH2 ARG 30 1HH2 ARG 30 27.721 -12.833 11.970 235 2HH2 ARG 30 2HH2 ARG 30 29.429 -13.009 11.740 236 H ARG 31 H ARG 31 24.901 -7.460 5.266 237 HA ARG 31 HA ARG 31 26.426 -5.177 6.388 238 1HB ARG 31 1HB ARG 31 26.619 -6.689 4.126 239 2HB ARG 31 2HB ARG 31 25.714 -5.302 3.520 240 1HG ARG 31 1HG ARG 31 27.447 -3.802 4.546 241 2HG ARG 31 2HG ARG 31 28.385 -5.241 4.953 242 1HD ARG 31 1HD ARG 31 27.698 -5.534 2.233 243 2HD ARG 31 2HD ARG 31 28.229 -3.857 2.418 244 HE ARG 31 HE ARG 31 30.265 -4.773 3.603 245 1HH1 ARG 31 1HH1 ARG 31 28.419 -6.841 1.485 246 2HH1 ARG 31 2HH1 ARG 31 29.748 -7.902 1.195 247 1HH2 ARG 31 1HH2 ARG 31 31.964 -6.169 3.201 248 2HH2 ARG 31 2HH2 ARG 31 31.736 -7.529 2.152 249 H GLU 32 H GLU 32 23.213 -5.877 5.102 250 HA GLU 32 HA GLU 32 22.590 -2.996 4.806 251 1HB GLU 32 1HB GLU 32 20.535 -3.844 3.841 252 2HB GLU 32 2HB GLU 32 21.873 -4.803 3.209 253 1HG GLU 32 1HG GLU 32 21.381 -6.357 5.256 254 2HG GLU 32 2HG GLU 32 19.806 -5.562 5.253 255 H LEU 33 H LEU 33 22.075 -5.585 7.116 256 HA LEU 33 HA LEU 33 20.150 -3.851 8.620 257 1HB LEU 33 1HB LEU 33 20.496 -6.720 8.115 258 2HB LEU 33 2HB LEU 33 20.217 -6.351 9.816 259 HG LEU 33 HG LEU 33 18.432 -4.724 8.332 260 1HD1 LEU 33 1HD1 LEU 33 19.100 -6.885 6.744 261 2HD1 LEU 33 2HD1 LEU 33 17.658 -7.455 7.585 262 3HD1 LEU 33 3HD1 LEU 33 17.596 -5.971 6.635 263 1HD2 LEU 33 1HD2 LEU 33 18.349 -6.967 10.278 264 2HD2 LEU 33 2HD2 LEU 33 17.560 -5.391 10.346 265 3HD2 LEU 33 3HD2 LEU 33 16.866 -6.684 9.367 266 HA PRO 34 HA PRO 34 23.183 -2.751 11.593 267 1HB PRO 34 1HB PRO 34 21.244 -3.520 13.693 268 2HB PRO 34 2HB PRO 34 22.002 -1.946 13.386 269 1HG PRO 34 1HG PRO 34 19.414 -2.418 12.866 270 2HG PRO 34 2HG PRO 34 20.396 -1.310 11.895 271 1HD PRO 34 1HD PRO 34 19.484 -4.070 11.264 272 2HD PRO 34 2HD PRO 34 19.708 -2.672 10.187 273 HA PRO 35 HA PRO 35 25.164 -6.623 12.311 274 1HB PRO 35 1HB PRO 35 26.285 -6.117 14.765 275 2HB PRO 35 2HB PRO 35 26.980 -5.543 13.236 276 1HG PRO 35 1HG PRO 35 25.349 -4.078 15.244 277 2HG PRO 35 2HG PRO 35 26.723 -3.519 14.276 278 1HD PRO 35 1HD PRO 35 24.136 -2.912 13.694 279 2HD PRO 35 2HD PRO 35 25.416 -3.023 12.467 280 H ASP 36 H ASP 36 23.302 -5.060 14.909 281 HA ASP 36 HA ASP 36 22.821 -7.416 16.476 282 1HB ASP 36 1HB ASP 36 21.521 -4.716 16.120 283 2HB ASP 36 2HB ASP 36 20.848 -5.902 17.238 284 H GLN 37 H GLN 37 20.852 -5.814 13.942 285 HA GLN 37 HA GLN 37 18.679 -7.708 14.075 286 1HB GLN 37 1HB GLN 37 19.585 -5.893 11.819 287 2HB GLN 37 2HB GLN 37 17.961 -6.541 12.054 288 1HG GLN 37 1HG GLN 37 19.415 -4.626 13.903 289 2HG GLN 37 2HG GLN 37 18.035 -4.243 12.874 290 2HE2 GLN 37 2HE2 GLN 37 17.916 -3.899 15.721 291 1HE2 GLN 37 1HE2 GLN 37 16.805 -5.020 16.346 292 H ALA 38 H ALA 38 21.522 -7.422 11.922 293 HA ALA 38 HA ALA 38 20.853 -9.585 10.175 294 1HB ALA 38 1HB ALA 38 23.220 -7.961 10.940 295 2HB ALA 38 2HB ALA 38 23.566 -9.500 10.152 296 3HB ALA 38 3HB ALA 38 22.561 -8.300 9.340 297 H GLN 39 H GLN 39 22.965 -9.523 13.069 298 HA GLN 39 HA GLN 39 23.735 -12.241 13.085 299 1HB GLN 39 1HB GLN 39 24.506 -10.260 14.508 300 2HB GLN 39 2HB GLN 39 23.083 -10.549 15.511 301 1HG GLN 39 1HG GLN 39 24.574 -13.004 14.972 302 2HG GLN 39 2HG GLN 39 25.554 -11.793 15.801 303 2HE2 GLN 39 2HE2 GLN 39 25.066 -13.895 17.399 304 1HE2 GLN 39 1HE2 GLN 39 23.818 -13.591 18.509 305 H TYR 40 H TYR 40 20.851 -10.709 14.541 306 HA TYR 40 HA TYR 40 19.810 -13.091 15.761 307 1HB TYR 40 1HB TYR 40 19.274 -10.458 15.860 308 2HB TYR 40 2HB TYR 40 18.005 -10.948 14.735 309 HD1 TYR 40 HD1 TYR 40 19.064 -10.876 18.178 310 HD2 TYR 40 HD2 TYR 40 16.472 -12.885 15.403 311 HE1 TYR 40 HE1 TYR 40 17.725 -11.761 20.070 312 HE2 TYR 40 HE2 TYR 40 15.133 -13.770 17.295 313 HH TYR 40 HH TYR 40 15.653 -12.684 20.579 314 H CYS 41 H CYS 41 19.191 -11.556 12.594 315 HA CYS 41 HA CYS 41 17.168 -13.392 11.724 316 1HB CYS 41 1HB CYS 41 19.197 -11.739 10.186 317 2HB CYS 41 2HB CYS 41 17.721 -12.425 9.508 318 HG CYS 41 HG CYS 41 16.779 -10.843 11.779 319 H ILE 42 H ILE 42 20.683 -13.289 10.991 320 HA ILE 42 HA ILE 42 21.036 -15.447 9.330 321 HB ILE 42 HB ILE 42 22.568 -14.657 11.827 322 1HG1 ILE 42 1HG1 ILE 42 22.222 -12.997 9.915 323 2HG1 ILE 42 2HG1 ILE 42 23.900 -13.334 10.338 324 1HG2 ILE 42 1HG2 ILE 42 23.194 -16.623 9.628 325 2HG2 ILE 42 2HG2 ILE 42 24.490 -15.777 10.474 326 3HG2 ILE 42 3HG2 ILE 42 23.385 -16.819 11.371 327 1HD1 ILE 42 1HD1 ILE 42 22.376 -14.706 8.105 328 2HD1 ILE 42 2HD1 ILE 42 23.512 -13.376 7.876 329 3HD1 ILE 42 3HD1 ILE 42 24.081 -14.927 8.495 330 H LYS 43 H LYS 43 20.175 -15.584 12.754 331 HA LYS 43 HA LYS 43 20.450 -18.510 12.900 332 1HB LYS 43 1HB LYS 43 20.554 -16.378 14.653 333 2HB LYS 43 2HB LYS 43 18.976 -17.082 15.006 334 1HG LYS 43 1HG LYS 43 21.461 -18.784 14.787 335 2HG LYS 43 2HG LYS 43 20.982 -18.032 16.308 336 1HD LYS 43 1HD LYS 43 18.616 -19.140 15.502 337 2HD LYS 43 2HD LYS 43 19.773 -20.314 14.875 338 1HE LYS 43 1HE LYS 43 20.860 -20.286 17.195 339 2HE LYS 43 2HE LYS 43 19.417 -19.413 17.745 340 1HZ LYS 43 1HZ LYS 43 19.340 -21.966 16.230 341 2HZ LYS 43 2HZ LYS 43 19.208 -21.866 17.921 342 3HZ LYS 43 3HZ LYS 43 18.024 -21.157 16.929 343 H ARG 44 H ARG 44 17.787 -16.124 12.852 344 HA ARG 44 HA ARG 44 15.644 -17.988 13.182 345 1HB ARG 44 1HB ARG 44 15.858 -15.286 11.822 346 2HB ARG 44 2HB ARG 44 14.328 -16.083 12.189 347 1HG ARG 44 1HG ARG 44 16.446 -15.386 14.245 348 2HG ARG 44 2HG ARG 44 14.985 -14.444 13.948 349 1HD ARG 44 1HD ARG 44 14.035 -17.054 14.271 350 2HD ARG 44 2HD ARG 44 15.297 -16.890 15.507 351 HE ARG 44 HE ARG 44 13.687 -14.503 15.401 352 1HH1 ARG 44 1HH1 ARG 44 13.723 -17.795 16.444 353 2HH1 ARG 44 2HH1 ARG 44 12.610 -17.530 17.743 354 1HH2 ARG 44 1HH2 ARG 44 12.235 -14.146 17.091 355 2HH2 ARG 44 2HH2 ARG 44 11.769 -15.467 18.110 356 H MET 45 H MET 45 16.222 -16.224 10.130 357 HA MET 45 HA MET 45 14.880 -18.085 8.478 358 1HB MET 45 1HB MET 45 16.206 -16.928 6.676 359 2HB MET 45 2HB MET 45 15.409 -15.824 7.791 360 1HG MET 45 1HG MET 45 17.492 -15.504 9.020 361 2HG MET 45 2HG MET 45 18.307 -16.695 8.009 362 1HE MET 45 1HE MET 45 15.832 -13.874 7.706 363 2HE MET 45 2HE MET 45 16.322 -12.950 6.280 364 3HE MET 45 3HE MET 45 15.647 -14.566 6.097 365 HA PRO 46 HA PRO 46 17.995 -21.255 8.678 366 1HB PRO 46 1HB PRO 46 16.114 -22.886 7.122 367 2HB PRO 46 2HB PRO 46 16.717 -23.142 8.770 368 1HG PRO 46 1HG PRO 46 14.170 -22.424 8.217 369 2HG PRO 46 2HG PRO 46 15.003 -21.992 9.718 370 1HD PRO 46 1HD PRO 46 14.420 -20.312 7.332 371 2HD PRO 46 2HD PRO 46 14.455 -19.870 9.053 372 H ALA 47 H ALA 47 18.440 -23.058 6.653 373 HA ALA 47 HA ALA 47 19.469 -21.333 4.504 374 1HB ALA 47 1HB ALA 47 19.809 -24.087 5.552 375 2HB ALA 47 2HB ALA 47 21.026 -22.947 4.979 376 3HB ALA 47 3HB ALA 47 20.091 -23.894 3.823 377 H TYR 48 H TYR 48 18.666 -21.274 2.405 378 HA TYR 48 HA TYR 48 15.957 -22.142 1.902 379 1HB TYR 48 1HB TYR 48 16.890 -20.166 0.865 380 2HB TYR 48 2HB TYR 48 18.221 -21.095 0.177 381 HD1 TYR 48 HD1 TYR 48 18.016 -21.315 -2.128 382 HD2 TYR 48 HD2 TYR 48 14.497 -21.569 0.323 383 HE1 TYR 48 HE1 TYR 48 16.648 -21.789 -4.141 384 HE2 TYR 48 HE2 TYR 48 13.129 -22.044 -1.692 385 HH TYR 48 HH TYR 48 14.025 -21.419 -4.709 386 H SER 49 H SER 49 15.724 -24.405 1.963 387 HA SER 49 HA SER 49 17.637 -26.159 0.575 388 1HB SER 49 1HB SER 49 15.817 -27.847 1.349 389 2HB SER 49 2HB SER 49 16.731 -26.998 2.593 390 HG SER 49 HG SER 49 14.317 -25.966 1.550 391 H GLY 50 H GLY 50 17.401 -25.565 -1.662 392 1HA GLY 50 1HA GLY 50 15.701 -24.976 -3.468 393 2HA GLY 50 2HA GLY 50 14.760 -26.330 -2.841 394 HA PRO 51 HA PRO 51 17.074 -28.712 -5.707 395 1HB PRO 51 1HB PRO 51 16.501 -27.779 -8.256 396 2HB PRO 51 2HB PRO 51 15.402 -28.774 -7.281 397 1HG PRO 51 1HG PRO 51 15.402 -25.841 -7.734 398 2HG PRO 51 2HG PRO 51 14.041 -26.958 -7.557 399 1HD PRO 51 1HD PRO 51 14.834 -25.302 -5.575 400 2HD PRO 51 2HD PRO 51 14.113 -26.896 -5.264 401 H GLY 52 H GLY 52 17.349 -25.404 -7.070 402 1HA GLY 52 1HA GLY 52 19.271 -24.633 -8.342 403 2HA GLY 52 2HA GLY 52 20.214 -25.958 -7.657 404 H SER 53 H SER 53 18.654 -22.868 -6.842 405 HA SER 53 HA SER 53 19.255 -21.242 -5.261 406 1HB SER 53 1HB SER 53 18.375 -22.783 -3.685 407 2HB SER 53 2HB SER 53 19.723 -23.894 -3.899 408 HG SER 53 HG SER 53 20.493 -22.884 -2.220 409 H VAL 54 H VAL 54 21.216 -20.736 -3.691 410 HA VAL 54 HA VAL 54 23.785 -21.507 -5.029 411 HB VAL 54 HB VAL 54 24.408 -19.175 -5.088 412 1HG1 VAL 54 1HG1 VAL 54 22.842 -20.004 -6.865 413 2HG1 VAL 54 2HG1 VAL 54 21.497 -19.369 -5.917 414 3HG1 VAL 54 3HG1 VAL 54 22.710 -18.269 -6.573 415 1HG2 VAL 54 1HG2 VAL 54 21.923 -18.825 -3.400 416 2HG2 VAL 54 2HG2 VAL 54 23.575 -18.345 -3.017 417 3HG2 VAL 54 3HG2 VAL 54 22.667 -17.473 -4.251 418 HA PRO 55 HA PRO 55 25.345 -21.935 -0.968 419 1HB PRO 55 1HB PRO 55 27.864 -20.772 -1.169 420 2HB PRO 55 2HB PRO 55 27.467 -22.421 -1.689 421 1HG PRO 55 1HG PRO 55 27.757 -19.948 -3.299 422 2HG PRO 55 2HG PRO 55 28.174 -21.619 -3.706 423 1HD PRO 55 1HD PRO 55 25.982 -20.381 -4.686 424 2HD PRO 55 2HD PRO 55 26.040 -22.131 -4.375 425 H GLY 56 H GLY 56 24.162 -20.571 0.392 426 1HA GLY 56 1HA GLY 56 25.146 -17.755 0.628 427 2HA GLY 56 2HA GLY 56 24.712 -18.726 2.035 428 H ALA 57 H ALA 57 22.459 -19.831 0.149 429 HA ALA 57 HA ALA 57 20.661 -17.482 0.018 430 1HB ALA 57 1HB ALA 57 19.276 -18.962 -1.267 431 2HB ALA 57 2HB ALA 57 20.092 -20.387 -0.622 432 3HB ALA 57 3HB ALA 57 20.937 -19.320 -1.744 433 H LEU 58 H LEU 58 19.425 -16.975 1.779 434 HA LEU 58 HA LEU 58 18.701 -19.175 3.688 435 1HB LEU 58 1HB LEU 58 19.131 -16.194 4.085 436 2HB LEU 58 2HB LEU 58 18.647 -17.315 5.358 437 HG LEU 58 HG LEU 58 21.005 -17.115 5.581 438 1HD1 LEU 58 1HD1 LEU 58 19.944 -19.501 5.320 439 2HD1 LEU 58 2HD1 LEU 58 20.863 -19.544 3.816 440 3HD1 LEU 58 3HD1 LEU 58 21.700 -19.335 5.354 441 1HD2 LEU 58 1HD2 LEU 58 20.990 -16.293 2.986 442 2HD2 LEU 58 2HD2 LEU 58 22.458 -16.730 3.860 443 3HD2 LEU 58 3HD2 LEU 58 21.676 -17.907 2.805 444 H ASP 59 H ASP 59 16.542 -18.942 4.692 445 HA ASP 59 HA ASP 59 14.605 -17.590 2.849 446 1HB ASP 59 1HB ASP 59 14.508 -20.006 4.666 447 2HB ASP 59 2HB ASP 59 13.041 -19.292 3.996 448 H TYR 60 H TYR 60 13.919 -15.662 3.703 449 HA TYR 60 HA TYR 60 13.972 -15.170 6.605 450 1HB TYR 60 1HB TYR 60 13.162 -12.918 5.820 451 2HB TYR 60 2HB TYR 60 14.643 -13.442 5.019 452 HD1 TYR 60 HD1 TYR 60 14.732 -13.703 2.673 453 HD2 TYR 60 HD2 TYR 60 10.930 -13.340 4.639 454 HE1 TYR 60 HE1 TYR 60 13.609 -13.525 0.469 455 HE2 TYR 60 HE2 TYR 60 9.807 -13.163 2.435 456 HH TYR 60 HH TYR 60 11.690 -13.125 -0.588 457 H ALA 61 H ALA 61 11.629 -16.061 4.159 458 HA ALA 61 HA ALA 61 9.210 -15.214 5.357 459 1HB ALA 61 1HB ALA 61 9.070 -16.120 3.199 460 2HB ALA 61 2HB ALA 61 8.425 -17.438 4.176 461 3HB ALA 61 3HB ALA 61 10.093 -17.497 3.607 462 H ALA 62 H ALA 62 11.250 -18.036 6.046 463 HA ALA 62 HA ALA 62 9.420 -19.339 7.842 464 1HB ALA 62 1HB ALA 62 12.400 -19.520 8.100 465 2HB ALA 62 2HB ALA 62 11.648 -20.066 6.601 466 3HB ALA 62 3HB ALA 62 11.202 -20.814 8.135 467 H PHE 63 H PHE 63 11.857 -16.850 8.234 468 HA PHE 63 HA PHE 63 11.897 -16.865 11.132 469 1HB PHE 63 1HB PHE 63 13.737 -15.961 9.861 470 2HB PHE 63 2HB PHE 63 12.668 -14.865 8.987 471 HD1 PHE 63 HD1 PHE 63 14.058 -12.924 9.699 472 HD2 PHE 63 HD2 PHE 63 12.073 -15.459 12.544 473 HE1 PHE 63 HE1 PHE 63 14.380 -11.204 11.459 474 HE2 PHE 63 HE2 PHE 63 12.393 -13.739 14.300 475 HZ PHE 63 HZ PHE 63 13.547 -11.613 13.758 476 H SER 64 H SER 64 9.977 -15.189 8.677 477 HA SER 64 HA SER 64 8.767 -13.233 10.399 478 1HB SER 64 1HB SER 64 8.822 -13.185 7.919 479 2HB SER 64 2HB SER 64 7.761 -14.590 7.876 480 HG SER 64 HG SER 64 6.598 -12.633 7.672 481 H SER 65 H SER 65 7.637 -16.456 9.313 482 HA SER 65 HA SER 65 5.168 -16.420 10.775 483 1HB SER 65 1HB SER 65 5.332 -17.997 9.054 484 2HB SER 65 2HB SER 65 6.970 -18.462 9.506 485 HG SER 65 HG SER 65 5.102 -19.915 10.059 486 H ALA 66 H ALA 66 8.445 -17.517 11.621 487 HA ALA 66 HA ALA 66 7.659 -18.694 14.163 488 1HB ALA 66 1HB ALA 66 10.282 -18.381 14.413 489 2HB ALA 66 2HB ALA 66 9.631 -19.556 13.270 490 3HB ALA 66 3HB ALA 66 10.178 -17.980 12.698 491 H LEU 67 H LEU 67 8.675 -15.498 13.082 492 HA LEU 67 HA LEU 67 9.211 -14.468 15.759 493 1HB LEU 67 1HB LEU 67 10.368 -13.268 14.188 494 2HB LEU 67 2HB LEU 67 9.201 -13.611 12.921 495 HG LEU 67 HG LEU 67 7.686 -11.922 13.826 496 1HD1 LEU 67 1HD1 LEU 67 9.206 -12.294 16.175 497 2HD1 LEU 67 2HD1 LEU 67 9.511 -10.634 15.663 498 3HD1 LEU 67 3HD1 LEU 67 7.859 -11.179 15.947 499 1HD2 LEU 67 1HD2 LEU 67 9.633 -11.335 12.259 500 2HD2 LEU 67 2HD2 LEU 67 8.918 -9.993 13.152 501 3HD2 LEU 67 3HD2 LEU 67 10.447 -10.693 13.686 502 H TYR 68 H TYR 68 6.581 -14.157 13.378 503 HA TYR 68 HA TYR 68 4.889 -12.722 15.350 504 1HB TYR 68 1HB TYR 68 4.888 -13.315 12.410 505 2HB TYR 68 2HB TYR 68 3.361 -12.886 13.183 506 HD1 TYR 68 HD1 TYR 68 6.230 -11.585 11.607 507 HD2 TYR 68 HD2 TYR 68 3.517 -10.802 14.845 508 HE1 TYR 68 HE1 TYR 68 6.880 -9.192 11.572 509 HE2 TYR 68 HE2 TYR 68 4.167 -8.409 14.811 510 HH TYR 68 HH TYR 68 6.473 -7.167 12.394 511 H GLY 69 H GLY 69 5.273 -15.901 13.943 512 1HA GLY 69 1HA GLY 69 3.761 -17.763 13.978 513 2HA GLY 69 2HA GLY 69 2.612 -16.780 14.888 514 H GLU 70 H GLU 70 3.850 -15.997 17.098 515 HA GLU 70 HA GLU 70 4.642 -16.715 19.208 516 1HB GLU 70 1HB GLU 70 2.635 -18.227 18.588 517 2HB GLU 70 2HB GLU 70 3.845 -19.460 18.227 518 1HG GLU 70 1HG GLU 70 4.492 -19.674 20.439 519 2HG GLU 70 2HG GLU 70 4.039 -18.017 20.841 520 H SER 71 H SER 71 6.175 -18.497 20.218 521 HA SER 71 HA SER 71 8.278 -19.261 18.223 522 1HB SER 71 1HB SER 71 9.940 -18.304 19.644 523 2HB SER 71 2HB SER 71 8.648 -17.109 19.585 524 HG SER 71 HG SER 71 8.283 -17.434 21.632 525 H ASP 72 H ASP 72 8.395 -21.473 18.330 526 HA ASP 72 HA ASP 72 7.470 -23.018 20.597 527 1HB ASP 72 1HB ASP 72 9.159 -23.672 18.161 528 2HB ASP 72 2HB ASP 72 8.458 -24.881 19.237 529 H LEU 73 H LEU 73 8.665 -23.871 22.298 530 HA LEU 73 HA LEU 73 11.639 -23.539 22.238 531 1HB LEU 73 1HB LEU 73 9.911 -21.844 23.545 532 2HB LEU 73 2HB LEU 73 10.294 -23.009 24.813 533 HG LEU 73 HG LEU 73 11.895 -21.115 24.797 534 1HD1 LEU 73 1HD1 LEU 73 12.459 -23.708 25.168 535 2HD1 LEU 73 2HD1 LEU 73 13.498 -23.414 23.773 536 3HD1 LEU 73 3HD1 LEU 73 13.707 -22.464 25.245 537 1HD2 LEU 73 1HD2 LEU 73 11.742 -21.529 21.984 538 2HD2 LEU 73 2HD2 LEU 73 12.670 -20.302 22.844 539 3HD2 LEU 73 3HD2 LEU 73 13.405 -21.860 22.468 540 H GLY 7 H GLY 7 12.266 7.876 -1.543 541 1HA GLY 7 1HA GLY 7 13.332 5.913 -0.229 542 2HA GLY 7 2HA GLY 7 13.188 5.634 -1.964 543 H LYS 8 H LYS 8 13.181 3.325 -0.921 544 HA LYS 8 HA LYS 8 10.503 2.535 0.094 545 1HB LYS 8 1HB LYS 8 11.605 2.124 -2.630 546 2HB LYS 8 2HB LYS 8 10.847 0.709 -1.900 547 1HG LYS 8 1HG LYS 8 9.171 2.937 -1.338 548 2HG LYS 8 2HG LYS 8 9.579 3.012 -3.052 549 1HD LYS 8 1HD LYS 8 8.879 0.664 -3.328 550 2HD LYS 8 2HD LYS 8 8.477 0.579 -1.613 551 1HE LYS 8 1HE LYS 8 6.911 2.586 -2.053 552 2HE LYS 8 2HE LYS 8 7.108 2.193 -3.773 553 1HZ LYS 8 1HZ LYS 8 6.707 -0.223 -2.862 554 2HZ LYS 8 2HZ LYS 8 5.880 0.610 -1.635 555 3HZ LYS 8 3HZ LYS 8 5.404 0.788 -3.257 556 H LYS 9 H LYS 9 13.696 1.386 -1.046 557 HA LYS 9 HA LYS 9 13.689 -1.116 0.326 558 1HB LYS 9 1HB LYS 9 15.274 0.127 -1.455 559 2HB LYS 9 2HB LYS 9 16.213 0.442 0.005 560 1HG LYS 9 1HG LYS 9 15.797 -2.122 0.465 561 2HG LYS 9 2HG LYS 9 15.533 -2.183 -1.279 562 1HD LYS 9 1HD LYS 9 18.006 -1.114 0.116 563 2HD LYS 9 2HD LYS 9 17.891 -2.627 -0.784 564 1HE LYS 9 1HE LYS 9 17.464 -1.434 -2.860 565 2HE LYS 9 2HE LYS 9 17.383 0.114 -1.995 566 1HZ LYS 9 1HZ LYS 9 19.728 -1.713 -2.038 567 2HZ LYS 9 2HZ LYS 9 19.598 -0.268 -2.922 568 3HZ LYS 9 3HZ LYS 9 19.642 -0.223 -1.228 569 H ALA 10 H ALA 10 15.077 2.043 1.306 570 HA ALA 10 HA ALA 10 16.084 1.298 3.837 571 1HB ALA 10 1HB ALA 10 16.577 3.503 3.762 572 2HB ALA 10 2HB ALA 10 14.867 3.919 3.873 573 3HB ALA 10 3HB ALA 10 15.603 3.627 2.298 574 H GLU 11 H GLU 11 12.786 2.237 2.882 575 HA GLU 11 HA GLU 11 11.665 2.325 5.527 576 1HB GLU 11 1HB GLU 11 10.778 3.202 3.276 577 2HB GLU 11 2HB GLU 11 10.252 1.546 2.967 578 1HG GLU 11 1HG GLU 11 8.346 2.409 3.975 579 2HG GLU 11 2HG GLU 11 9.195 1.775 5.385 580 H ALA 12 H ALA 12 11.979 -0.275 3.114 581 HA ALA 12 HA ALA 12 10.461 -2.265 4.491 582 1HB ALA 12 1HB ALA 12 11.005 -2.624 2.218 583 2HB ALA 12 2HB ALA 12 12.707 -2.239 2.476 584 3HB ALA 12 3HB ALA 12 12.048 -3.764 3.069 585 H VAL 13 H VAL 13 13.880 -1.306 4.723 586 HA VAL 13 HA VAL 13 14.784 -3.456 6.380 587 HB VAL 13 HB VAL 13 15.618 -0.552 6.086 588 1HG1 VAL 13 1HG1 VAL 13 16.851 -2.854 7.596 589 2HG1 VAL 13 2HG1 VAL 13 17.850 -1.547 6.961 590 3HG1 VAL 13 3HG1 VAL 13 16.586 -1.198 8.140 591 1HG2 VAL 13 1HG2 VAL 13 16.278 -3.140 4.721 592 2HG2 VAL 13 2HG2 VAL 13 16.035 -1.538 4.023 593 3HG2 VAL 13 3HG2 VAL 13 17.540 -1.916 4.863 594 H ALA 14 H ALA 14 13.341 -0.293 7.175 595 HA ALA 14 HA ALA 14 13.627 -0.410 10.006 596 1HB ALA 14 1HB ALA 14 12.965 1.554 8.608 597 2HB ALA 14 2HB ALA 14 11.403 0.788 8.319 598 3HB ALA 14 3HB ALA 14 11.852 1.285 9.950 599 H THR 15 H THR 15 11.118 -1.711 7.846 600 HA THR 15 HA THR 15 9.262 -2.552 9.852 601 HB THR 15 HB THR 15 9.910 -3.761 7.143 602 HG1 THR 15 HG1 THR 15 8.634 -1.435 7.968 603 1HG2 THR 15 1HG2 THR 15 7.719 -4.095 9.119 604 2HG2 THR 15 2HG2 THR 15 7.232 -3.961 7.429 605 3HG2 THR 15 3HG2 THR 15 8.346 -5.236 7.927 606 H VAL 16 H VAL 16 11.844 -4.389 8.172 607 HA VAL 16 HA VAL 16 11.512 -6.829 9.620 608 HB VAL 16 HB VAL 16 13.911 -5.533 8.284 609 1HG1 VAL 16 1HG1 VAL 16 13.445 -8.285 9.414 610 2HG1 VAL 16 2HG1 VAL 16 14.540 -8.055 8.052 611 3HG1 VAL 16 3HG1 VAL 16 14.859 -7.244 9.585 612 1HG2 VAL 16 1HG2 VAL 16 11.549 -6.295 7.150 613 2HG2 VAL 16 2HG2 VAL 16 13.098 -6.338 6.305 614 3HG2 VAL 16 3HG2 VAL 16 12.459 -7.803 7.052 615 H VAL 17 H VAL 17 13.653 -4.024 10.198 616 HA VAL 17 HA VAL 17 15.042 -5.047 12.460 617 HB VAL 17 HB VAL 17 14.189 -2.235 11.695 618 1HG1 VAL 17 1HG1 VAL 17 16.158 -3.294 13.726 619 2HG1 VAL 17 2HG1 VAL 17 16.319 -1.679 13.039 620 3HG1 VAL 17 3HG1 VAL 17 14.878 -2.104 13.962 621 1HG2 VAL 17 1HG2 VAL 17 15.688 -3.867 10.198 622 2HG2 VAL 17 2HG2 VAL 17 16.064 -2.150 10.343 623 3HG2 VAL 17 3HG2 VAL 17 16.945 -3.331 11.313 624 H ALA 18 H ALA 18 12.017 -3.142 12.279 625 HA ALA 18 HA ALA 18 11.562 -2.982 15.106 626 1HB ALA 18 1HB ALA 18 10.017 -2.671 12.566 627 2HB ALA 18 2HB ALA 18 10.283 -1.506 13.862 628 3HB ALA 18 3HB ALA 18 9.099 -2.796 14.065 629 H ALA 19 H ALA 19 10.608 -5.384 12.657 630 HA ALA 19 HA ALA 19 8.869 -6.941 14.323 631 1HB ALA 19 1HB ALA 19 8.679 -8.072 12.367 632 2HB ALA 19 2HB ALA 19 10.406 -8.426 12.329 633 3HB ALA 19 3HB ALA 19 9.805 -6.895 11.693 634 H VAL 20 H VAL 20 12.363 -7.228 13.612 635 HA VAL 20 HA VAL 20 12.811 -9.588 15.187 636 HB VAL 20 HB VAL 20 14.556 -7.295 14.248 637 1HG1 VAL 20 1HG1 VAL 20 15.144 -9.571 16.023 638 2HG1 VAL 20 2HG1 VAL 20 16.229 -9.440 14.639 639 3HG1 VAL 20 3HG1 VAL 20 16.059 -8.087 15.757 640 1HG2 VAL 20 1HG2 VAL 20 13.317 -9.208 12.782 641 2HG2 VAL 20 2HG2 VAL 20 14.886 -8.532 12.345 642 3HG2 VAL 20 3HG2 VAL 20 14.798 -10.067 13.207 643 H ASP 21 H ASP 21 13.019 -6.111 15.948 644 HA ASP 21 HA ASP 21 14.102 -6.395 18.592 645 1HB ASP 21 1HB ASP 21 14.176 -4.290 17.447 646 2HB ASP 21 2HB ASP 21 12.434 -4.305 17.172 647 H GLN 22 H GLN 22 10.806 -6.545 17.320 648 HA GLN 22 HA GLN 22 9.372 -6.289 19.777 649 1HB GLN 22 1HB GLN 22 8.889 -6.755 17.047 650 2HB GLN 22 2HB GLN 22 8.195 -8.148 17.876 651 1HG GLN 22 1HG GLN 22 6.827 -6.748 19.265 652 2HG GLN 22 2HG GLN 22 7.671 -5.294 18.733 653 2HE2 GLN 22 2HE2 GLN 22 5.322 -4.650 18.132 654 1HE2 GLN 22 1HE2 GLN 22 4.761 -5.119 16.601 655 H ALA 23 H ALA 23 10.821 -9.121 18.175 656 HA ALA 23 HA ALA 23 9.741 -11.128 19.907 657 1HB ALA 23 1HB ALA 23 11.536 -12.488 18.939 658 2HB ALA 23 2HB ALA 23 10.846 -11.452 17.690 659 3HB ALA 23 3HB ALA 23 12.390 -11.032 18.428 660 H ARG 24 H ARG 24 12.706 -9.159 20.116 661 HA ARG 24 HA ARG 24 13.862 -10.470 22.388 662 1HB ARG 24 1HB ARG 24 14.227 -8.120 20.729 663 2HB ARG 24 2HB ARG 24 14.521 -7.722 22.422 664 1HG ARG 24 1HG ARG 24 15.692 -10.292 21.691 665 2HG ARG 24 2HG ARG 24 16.320 -8.974 20.698 666 1HD ARG 24 1HD ARG 24 16.282 -7.869 23.249 667 2HD ARG 24 2HD ARG 24 16.808 -9.540 23.529 668 HE ARG 24 HE ARG 24 18.224 -8.722 21.271 669 1HH1 ARG 24 1HH1 ARG 24 17.795 -7.631 24.520 670 2HH1 ARG 24 2HH1 ARG 24 19.382 -6.952 24.638 671 1HH2 ARG 24 1HH2 ARG 24 20.299 -7.838 21.416 672 2HH2 ARG 24 2HH2 ARG 24 20.798 -7.070 22.886 673 H VAL 25 H VAL 25 11.701 -7.645 22.122 674 HA VAL 25 HA VAL 25 11.541 -6.867 24.811 675 HB VAL 25 HB VAL 25 9.425 -6.994 22.643 676 1HG1 VAL 25 1HG1 VAL 25 9.408 -5.946 25.412 677 2HG1 VAL 25 2HG1 VAL 25 8.808 -4.830 24.184 678 3HG1 VAL 25 3HG1 VAL 25 8.059 -6.415 24.376 679 1HG2 VAL 25 1HG2 VAL 25 11.811 -5.405 23.053 680 2HG2 VAL 25 2HG2 VAL 25 10.699 -5.398 21.684 681 3HG2 VAL 25 3HG2 VAL 25 10.381 -4.373 23.084 682 H ARG 26 H ARG 26 10.382 -9.770 23.338 683 HA ARG 26 HA ARG 26 8.289 -10.405 25.223 684 1HB ARG 26 1HB ARG 26 8.923 -11.278 22.817 685 2HB ARG 26 2HB ARG 26 9.882 -12.453 23.718 686 1HG ARG 26 1HG ARG 26 8.040 -13.539 24.519 687 2HG ARG 26 2HG ARG 26 7.115 -12.046 24.698 688 1HD ARG 26 1HD ARG 26 6.807 -11.971 22.217 689 2HD ARG 26 2HD ARG 26 7.639 -13.536 22.100 690 HE ARG 26 HE ARG 26 5.472 -13.546 24.054 691 1HH1 ARG 26 1HH1 ARG 26 6.372 -13.902 20.738 692 2HH1 ARG 26 2HH1 ARG 26 5.014 -14.901 20.343 693 1HH2 ARG 26 1HH2 ARG 26 3.698 -14.848 23.550 694 2HH2 ARG 26 2HH2 ARG 26 3.502 -15.435 21.932 695 H GLU 27 H GLU 27 11.409 -9.973 25.985 696 HA GLU 27 HA GLU 27 11.904 -12.418 27.541 697 1HB GLU 27 1HB GLU 27 13.282 -9.876 26.819 698 2HB GLU 27 2HB GLU 27 13.793 -10.649 28.320 699 1HG GLU 27 1HG GLU 27 14.883 -12.275 27.204 700 2HG GLU 27 2HG GLU 27 13.481 -12.597 26.183 701 HA PRO 28 HA PRO 28 9.779 -11.312 31.218 702 1HB PRO 28 1HB PRO 28 11.794 -11.827 33.082 703 2HB PRO 28 2HB PRO 28 10.642 -13.026 32.462 704 1HG PRO 28 1HG PRO 28 13.459 -12.535 31.695 705 2HG PRO 28 2HG PRO 28 12.544 -14.050 31.746 706 1HD PRO 28 1HD PRO 28 13.138 -12.771 29.437 707 2HD PRO 28 2HD PRO 28 11.670 -13.748 29.649 708 H ARG 29 H ARG 29 13.162 -10.538 32.044 709 HA ARG 29 HA ARG 29 12.593 -7.631 31.822 710 1HB ARG 29 1HB ARG 29 12.768 -9.257 34.301 711 2HB ARG 29 2HB ARG 29 13.647 -7.728 34.328 712 1HG ARG 29 1HG ARG 29 10.761 -7.941 33.440 713 2HG ARG 29 2HG ARG 29 11.226 -7.601 35.107 714 1HD ARG 29 1HD ARG 29 12.682 -5.694 34.079 715 2HD ARG 29 2HD ARG 29 11.641 -5.895 32.655 716 HE ARG 29 HE ARG 29 9.824 -5.826 34.716 717 1HH1 ARG 29 1HH1 ARG 29 12.498 -3.846 33.782 718 2HH1 ARG 29 2HH1 ARG 29 11.808 -2.391 34.416 719 1HH2 ARG 29 1HH2 ARG 29 8.915 -3.931 35.544 720 2HH2 ARG 29 2HH2 ARG 29 9.781 -2.438 35.407 No H/Q in entry = 720 Start of MODEL 12 1 H MET 1 H MET 1 -0.833 -11.728 -2.325 2 HA MET 1 HA MET 1 1.801 -10.803 -1.432 3 1HB MET 1 1HB MET 1 1.880 -9.863 -3.668 4 2HB MET 1 2HB MET 1 1.125 -11.453 -3.779 5 1HG MET 1 1HG MET 1 -1.043 -9.835 -3.293 6 2HG MET 1 2HG MET 1 -0.027 -8.792 -4.287 7 1HE MET 1 1HE MET 1 -0.376 -8.524 -6.318 8 2HE MET 1 2HE MET 1 -0.953 -9.612 -7.587 9 3HE MET 1 3HE MET 1 -2.076 -8.979 -6.386 10 H ALA 2 H ALA 2 -1.464 -9.610 -1.346 11 HA ALA 2 HA ALA 2 -1.045 -6.799 -1.324 12 1HB ALA 2 1HB ALA 2 -3.192 -8.223 -1.363 13 2HB ALA 2 2HB ALA 2 -3.023 -8.316 0.390 14 3HB ALA 2 3HB ALA 2 -3.243 -6.751 -0.392 15 H ASP 3 H ASP 3 -1.862 -5.774 1.075 16 HA ASP 3 HA ASP 3 0.131 -6.762 3.085 17 1HB ASP 3 1HB ASP 3 0.707 -4.389 3.482 18 2HB ASP 3 2HB ASP 3 0.984 -4.826 1.795 19 H THR 4 H THR 4 -1.574 -7.687 4.356 20 HA THR 4 HA THR 4 -3.260 -5.667 5.774 21 HB THR 4 HB THR 4 -4.485 -6.783 3.873 22 HG1 THR 4 HG1 THR 4 -5.466 -7.646 6.375 23 1HG2 THR 4 1HG2 THR 4 -3.315 -8.953 4.005 24 2HG2 THR 4 2HG2 THR 4 -4.062 -9.256 5.574 25 3HG2 THR 4 3HG2 THR 4 -5.062 -9.162 4.124 26 H ASP 5 H ASP 5 -0.911 -7.867 6.108 27 HA ASP 5 HA ASP 5 -1.913 -8.780 8.784 28 1HB ASP 5 1HB ASP 5 -1.340 -10.296 6.462 29 2HB ASP 5 2HB ASP 5 -0.013 -10.597 7.585 30 H THR 6 H THR 6 0.250 -9.801 9.917 31 HA THR 6 HA THR 6 2.176 -7.539 9.988 32 HB THR 6 HB THR 6 2.887 -9.215 11.996 33 HG1 THR 6 HG1 THR 6 1.442 -10.690 12.259 34 1HG2 THR 6 1HG2 THR 6 1.810 -6.787 11.873 35 2HG2 THR 6 2HG2 THR 6 0.371 -7.656 12.408 36 3HG2 THR 6 3HG2 THR 6 1.839 -7.694 13.385 37 H ALA 7 H ALA 7 2.209 -11.113 9.741 38 HA ALA 7 HA ALA 7 5.021 -11.410 9.333 39 1HB ALA 7 1HB ALA 7 3.099 -13.101 9.834 40 2HB ALA 7 2HB ALA 7 4.430 -13.636 8.809 41 3HB ALA 7 3HB ALA 7 2.898 -13.152 8.082 42 H GLU 8 H GLU 8 2.334 -11.175 6.981 43 HA GLU 8 HA GLU 8 3.812 -11.379 4.587 44 1HB GLU 8 1HB GLU 8 1.275 -11.214 5.078 45 2HB GLU 8 2HB GLU 8 1.513 -9.467 5.033 46 1HG GLU 8 1HG GLU 8 2.554 -9.733 2.761 47 2HG GLU 8 2HG GLU 8 2.102 -11.438 2.807 48 H GLN 9 H GLN 9 3.307 -8.595 6.729 49 HA GLN 9 HA GLN 9 4.388 -6.555 5.048 50 1HB GLN 9 1HB GLN 9 3.457 -6.940 7.716 51 2HB GLN 9 2HB GLN 9 5.020 -6.128 7.817 52 1HG GLN 9 1HG GLN 9 4.085 -4.591 5.934 53 2HG GLN 9 2HG GLN 9 2.509 -5.211 6.427 54 2HE2 GLN 9 2HE2 GLN 9 3.960 -2.470 6.821 55 1HE2 GLN 9 1HE2 GLN 9 3.755 -2.159 8.477 56 H VAL 10 H VAL 10 5.983 -8.664 7.465 57 HA VAL 10 HA VAL 10 8.606 -7.556 7.217 58 HB VAL 10 HB VAL 10 7.729 -10.395 7.843 59 1HG1 VAL 10 1HG1 VAL 10 10.272 -9.478 7.506 60 2HG1 VAL 10 2HG1 VAL 10 10.027 -9.129 9.216 61 3HG1 VAL 10 3HG1 VAL 10 9.841 -10.777 8.617 62 1HG2 VAL 10 1HG2 VAL 10 7.379 -7.848 9.250 63 2HG2 VAL 10 2HG2 VAL 10 6.631 -9.413 9.566 64 3HG2 VAL 10 3HG2 VAL 10 8.226 -9.049 10.224 65 H ILE 11 H ILE 11 6.991 -10.212 5.473 66 HA ILE 11 HA ILE 11 9.198 -11.116 3.926 67 HB ILE 11 HB ILE 11 6.204 -10.997 3.481 68 1HG1 ILE 11 1HG1 ILE 11 8.081 -13.280 4.176 69 2HG1 ILE 11 2HG1 ILE 11 7.090 -12.405 5.343 70 1HG2 ILE 11 1HG2 ILE 11 7.350 -11.106 1.293 71 2HG2 ILE 11 2HG2 ILE 11 8.293 -12.485 1.858 72 3HG2 ILE 11 3HG2 ILE 11 6.546 -12.630 1.663 73 1HD1 ILE 11 1HD1 ILE 11 5.079 -13.032 3.885 74 2HD1 ILE 11 2HD1 ILE 11 6.161 -14.154 3.059 75 3HD1 ILE 11 3HD1 ILE 11 5.833 -14.352 4.781 76 H ALA 12 H ALA 12 6.722 -8.634 3.180 77 HA ALA 12 HA ALA 12 7.672 -7.891 0.607 78 1HB ALA 12 1HB ALA 12 5.526 -7.215 1.696 79 2HB ALA 12 2HB ALA 12 6.438 -6.180 2.796 80 3HB ALA 12 3HB ALA 12 6.412 -5.825 1.067 81 H SER 13 H SER 13 8.576 -6.724 3.852 82 HA SER 13 HA SER 13 10.486 -4.760 2.947 83 1HB SER 13 1HB SER 13 11.254 -5.600 5.478 84 2HB SER 13 2HB SER 13 10.049 -4.359 5.146 85 HG SER 13 HG SER 13 8.524 -5.708 5.704 86 H PHE 14 H PHE 14 10.697 -8.198 3.850 87 HA PHE 14 HA PHE 14 13.577 -8.395 3.674 88 1HB PHE 14 1HB PHE 14 11.193 -10.141 3.899 89 2HB PHE 14 2HB PHE 14 12.605 -10.902 3.164 90 HD1 PHE 14 HD1 PHE 14 11.074 -10.883 6.122 91 HD2 PHE 14 HD2 PHE 14 14.858 -9.651 4.506 92 HE1 PHE 14 HE1 PHE 14 12.110 -11.129 8.361 93 HE2 PHE 14 HE2 PHE 14 15.895 -9.898 6.745 94 HZ PHE 14 HZ PHE 14 14.521 -10.637 8.673 95 H ARG 15 H ARG 15 10.930 -9.046 1.362 96 HA ARG 15 HA ARG 15 12.421 -10.076 -0.796 97 1HB ARG 15 1HB ARG 15 9.846 -9.474 -0.319 98 2HB ARG 15 2HB ARG 15 10.262 -8.074 -1.307 99 1HG ARG 15 1HG ARG 15 11.284 -9.764 -2.960 100 2HG ARG 15 2HG ARG 15 10.402 -10.995 -2.055 101 1HD ARG 15 1HD ARG 15 8.285 -10.018 -2.594 102 2HD ARG 15 2HD ARG 15 9.046 -8.526 -3.180 103 HE ARG 15 HE ARG 15 10.072 -10.813 -4.607 104 1HH1 ARG 15 1HH1 ARG 15 7.348 -8.714 -4.276 105 2HH1 ARG 15 2HH1 ARG 15 6.834 -8.913 -5.917 106 1HH2 ARG 15 1HH2 ARG 15 9.410 -11.078 -6.748 107 2HH2 ARG 15 2HH2 ARG 15 7.999 -10.249 -7.314 108 H ILE 16 H ILE 16 11.726 -6.659 0.013 109 HA ILE 16 HA ILE 16 13.085 -5.442 -2.165 110 HB ILE 16 HB ILE 16 12.509 -4.672 0.703 111 1HG1 ILE 16 1HG1 ILE 16 11.433 -3.495 -1.865 112 2HG1 ILE 16 2HG1 ILE 16 10.705 -4.917 -1.119 113 1HG2 ILE 16 1HG2 ILE 16 14.238 -3.331 -1.285 114 2HG2 ILE 16 2HG2 ILE 16 13.012 -2.296 -0.553 115 3HG2 ILE 16 3HG2 ILE 16 14.177 -3.139 0.467 116 1HD1 ILE 16 1HD1 ILE 16 11.225 -2.568 0.644 117 2HD1 ILE 16 2HD1 ILE 16 9.900 -2.434 -0.511 118 3HD1 ILE 16 3HD1 ILE 16 9.900 -3.731 0.684 119 H LEU 17 H LEU 17 14.292 -6.382 1.070 120 HA LEU 17 HA LEU 17 16.979 -5.459 0.722 121 1HB LEU 17 1HB LEU 17 15.365 -7.011 2.563 122 2HB LEU 17 2HB LEU 17 16.960 -7.741 2.387 123 HG LEU 17 HG LEU 17 17.945 -5.436 2.756 124 1HD1 LEU 17 1HD1 LEU 17 15.566 -4.427 2.232 125 2HD1 LEU 17 2HD1 LEU 17 15.296 -4.688 3.955 126 3HD1 LEU 17 3HD1 LEU 17 16.611 -3.643 3.417 127 1HD2 LEU 17 1HD2 LEU 17 16.311 -6.859 4.860 128 2HD2 LEU 17 2HD2 LEU 17 18.056 -6.910 4.608 129 3HD2 LEU 17 3HD2 LEU 17 17.301 -5.457 5.263 130 H ALA 18 H ALA 18 15.432 -8.605 0.054 131 HA ALA 18 HA ALA 18 17.893 -9.863 -0.875 132 1HB ALA 18 1HB ALA 18 15.133 -10.771 -1.626 133 2HB ALA 18 2HB ALA 18 16.514 -11.731 -1.094 134 3HB ALA 18 3HB ALA 18 15.594 -10.786 0.077 135 H SER 19 H SER 19 15.999 -7.458 -2.207 136 HA SER 19 HA SER 19 15.991 -6.517 -4.377 137 1HB SER 19 1HB SER 19 18.347 -8.055 -4.091 138 2HB SER 19 2HB SER 19 17.691 -8.462 -5.673 139 HG SER 19 HG SER 19 18.585 -6.634 -6.225 140 H ASP 20 H ASP 20 13.761 -7.845 -4.007 141 HA ASP 20 HA ASP 20 12.061 -9.114 -5.050 142 1HB ASP 20 1HB ASP 20 13.985 -8.527 -7.320 143 2HB ASP 20 2HB ASP 20 12.364 -9.182 -7.559 144 H LYS 21 H LYS 21 13.444 -10.849 -3.620 145 HA LYS 21 HA LYS 21 13.731 -13.215 -5.393 146 1HB LYS 21 1HB LYS 21 15.852 -12.006 -3.605 147 2HB LYS 21 2HB LYS 21 15.922 -13.689 -4.128 148 1HG LYS 21 1HG LYS 21 15.540 -12.654 -6.521 149 2HG LYS 21 2HG LYS 21 16.169 -11.188 -5.767 150 1HD LYS 21 1HD LYS 21 17.609 -13.820 -5.474 151 2HD LYS 21 2HD LYS 21 17.870 -12.794 -6.885 152 1HE LYS 21 1HE LYS 21 18.608 -10.948 -5.485 153 2HE LYS 21 2HE LYS 21 18.193 -11.852 -4.014 154 1HZ LYS 21 1HZ LYS 21 19.716 -13.616 -4.769 155 2HZ LYS 21 2HZ LYS 21 20.191 -12.633 -6.072 156 3HZ LYS 21 3HZ LYS 21 20.520 -12.152 -4.476 157 HA PRO 22 HA PRO 22 11.635 -14.916 -1.925 158 1HB PRO 22 1HB PRO 22 12.169 -17.600 -2.430 159 2HB PRO 22 2HB PRO 22 10.846 -16.675 -3.165 160 1HG PRO 22 1HG PRO 22 13.493 -17.406 -4.283 161 2HG PRO 22 2HG PRO 22 11.925 -17.252 -5.089 162 1HD PRO 22 1HD PRO 22 13.866 -15.385 -5.304 163 2HD PRO 22 2HD PRO 22 12.137 -14.984 -5.363 164 H TYR 23 H TYR 23 14.952 -14.969 -2.437 165 HA TYR 23 HA TYR 23 15.428 -15.846 0.369 166 1HB TYR 23 1HB TYR 23 17.290 -17.295 -0.465 167 2HB TYR 23 2HB TYR 23 15.711 -17.826 -1.045 168 HD1 TYR 23 HD1 TYR 23 15.196 -17.862 -3.366 169 HD2 TYR 23 HD2 TYR 23 18.751 -15.889 -1.982 170 HE1 TYR 23 HE1 TYR 23 15.972 -17.615 -5.709 171 HE2 TYR 23 HE2 TYR 23 19.527 -15.642 -4.324 172 HH TYR 23 HH TYR 23 17.831 -15.679 -6.832 173 H ILE 24 H ILE 24 17.547 -15.092 1.161 174 HA ILE 24 HA ILE 24 18.818 -12.979 -0.540 175 HB ILE 24 HB ILE 24 17.136 -12.037 1.041 176 1HG1 ILE 24 1HG1 ILE 24 20.027 -11.460 1.767 177 2HG1 ILE 24 2HG1 ILE 24 19.131 -10.716 0.443 178 1HG2 ILE 24 1HG2 ILE 24 17.374 -13.834 2.756 179 2HG2 ILE 24 2HG2 ILE 24 18.963 -13.190 3.172 180 3HG2 ILE 24 3HG2 ILE 24 17.517 -12.218 3.449 181 1HD1 ILE 24 1HD1 ILE 24 17.501 -9.806 2.078 182 2HD1 ILE 24 2HD1 ILE 24 18.450 -10.506 3.390 183 3HD1 ILE 24 3HD1 ILE 24 19.136 -9.226 2.392 184 H LEU 25 H LEU 25 21.061 -12.584 0.015 185 HA LEU 25 HA LEU 25 22.446 -14.930 1.095 186 1HB LEU 25 1HB LEU 25 23.213 -12.258 -0.085 187 2HB LEU 25 2HB LEU 25 24.432 -13.350 0.571 188 HG LEU 25 HG LEU 25 22.425 -14.091 -1.579 189 1HD1 LEU 25 1HD1 LEU 25 25.122 -12.883 -1.648 190 2HD1 LEU 25 2HD1 LEU 25 24.908 -14.278 -2.707 191 3HD1 LEU 25 3HD1 LEU 25 23.853 -12.874 -2.872 192 1HD2 LEU 25 1HD2 LEU 25 24.265 -15.599 0.123 193 2HD2 LEU 25 2HD2 LEU 25 22.975 -16.189 -0.925 194 3HD2 LEU 25 3HD2 LEU 25 24.575 -15.863 -1.592 195 H ALA 26 H ALA 26 23.278 -15.112 3.154 196 HA ALA 26 HA ALA 26 22.498 -13.438 5.292 197 1HB ALA 26 1HB ALA 26 24.537 -15.550 4.766 198 2HB ALA 26 2HB ALA 26 23.256 -15.508 5.977 199 3HB ALA 26 3HB ALA 26 24.743 -14.595 6.234 200 H GLU 27 H GLU 27 25.462 -13.390 3.321 201 HA GLU 27 HA GLU 27 26.872 -11.379 4.774 202 1HB GLU 27 1HB GLU 27 26.824 -12.506 1.997 203 2HB GLU 27 2HB GLU 27 27.794 -11.065 2.301 204 1HG GLU 27 1HG GLU 27 28.603 -12.489 4.402 205 2HG GLU 27 2HG GLU 27 28.133 -13.838 3.366 206 H GLU 28 H GLU 28 24.455 -11.177 2.169 207 HA GLU 28 HA GLU 28 24.638 -8.317 1.793 208 1HB GLU 28 1HB GLU 28 23.447 -10.458 0.556 209 2HB GLU 28 2HB GLU 28 22.057 -9.690 1.322 210 1HG GLU 28 1HG GLU 28 23.396 -7.521 0.297 211 2HG GLU 28 2HG GLU 28 23.713 -8.753 -0.925 212 H LEU 29 H LEU 29 22.507 -10.420 3.725 213 HA LEU 29 HA LEU 29 20.860 -8.355 4.839 214 1HB LEU 29 1HB LEU 29 19.982 -10.471 5.105 215 2HB LEU 29 2HB LEU 29 21.564 -11.214 5.292 216 HG LEU 29 HG LEU 29 21.720 -10.414 7.583 217 1HD1 LEU 29 1HD1 LEU 29 19.854 -8.497 6.706 218 2HD1 LEU 29 2HD1 LEU 29 19.007 -9.460 7.917 219 3HD1 LEU 29 3HD1 LEU 29 20.523 -8.660 8.330 220 1HD2 LEU 29 1HD2 LEU 29 19.043 -11.694 6.948 221 2HD2 LEU 29 2HD2 LEU 29 20.559 -12.537 7.269 222 3HD2 LEU 29 3HD2 LEU 29 19.760 -11.636 8.558 223 H ARG 30 H ARG 30 23.891 -9.874 5.880 224 HA ARG 30 HA ARG 30 24.157 -8.686 8.443 225 1HB ARG 30 1HB ARG 30 25.627 -10.275 6.631 226 2HB ARG 30 2HB ARG 30 26.669 -8.907 7.023 227 1HG ARG 30 1HG ARG 30 25.312 -9.908 9.392 228 2HG ARG 30 2HG ARG 30 26.251 -11.178 8.604 229 1HD ARG 30 1HD ARG 30 28.277 -9.992 8.827 230 2HD ARG 30 2HD ARG 30 27.447 -8.443 9.069 231 HE ARG 30 HE ARG 30 26.511 -9.970 11.161 232 1HH1 ARG 30 1HH1 ARG 30 29.634 -9.230 9.890 233 2HH1 ARG 30 2HH1 ARG 30 30.427 -9.335 11.424 234 1HH2 ARG 30 1HH2 ARG 30 27.534 -10.109 13.173 235 2HH2 ARG 30 2HH2 ARG 30 29.241 -9.828 13.283 236 H ARG 31 H ARG 31 24.911 -7.414 5.216 237 HA ARG 31 HA ARG 31 26.045 -4.929 6.377 238 1HB ARG 31 1HB ARG 31 26.474 -6.484 4.100 239 2HB ARG 31 2HB ARG 31 25.647 -5.054 3.484 240 1HG ARG 31 1HG ARG 31 27.318 -3.711 4.940 241 2HG ARG 31 2HG ARG 31 28.248 -5.209 5.002 242 1HD ARG 31 1HD ARG 31 28.552 -5.241 2.632 243 2HD ARG 31 2HD ARG 31 27.313 -3.996 2.386 244 HE ARG 31 HE ARG 31 28.896 -2.355 3.026 245 1HH1 ARG 31 1HH1 ARG 31 29.900 -5.546 3.896 246 2HH1 ARG 31 2HH1 ARG 31 31.489 -5.053 4.377 247 1HH2 ARG 31 1HH2 ARG 31 30.968 -1.705 3.643 248 2HH2 ARG 31 2HH2 ARG 31 32.094 -2.881 4.233 249 H GLU 32 H GLU 32 23.039 -6.127 5.138 250 HA GLU 32 HA GLU 32 21.994 -3.453 4.441 251 1HB GLU 32 1HB GLU 32 21.289 -6.294 4.129 252 2HB GLU 32 2HB GLU 32 19.900 -5.253 4.438 253 1HG GLU 32 1HG GLU 32 20.302 -5.393 2.029 254 2HG GLU 32 2HG GLU 32 20.643 -3.758 2.594 255 H LEU 33 H LEU 33 21.999 -5.647 7.166 256 HA LEU 33 HA LEU 33 20.062 -3.853 8.584 257 1HB LEU 33 1HB LEU 33 20.444 -6.806 8.356 258 2HB LEU 33 2HB LEU 33 19.854 -6.172 9.886 259 HG LEU 33 HG LEU 33 18.623 -5.587 7.181 260 1HD1 LEU 33 1HD1 LEU 33 18.161 -7.695 9.228 261 2HD1 LEU 33 2HD1 LEU 33 16.724 -6.938 8.541 262 3HD1 LEU 33 3HD1 LEU 33 17.889 -7.739 7.487 263 1HD2 LEU 33 1HD2 LEU 33 18.079 -4.699 9.996 264 2HD2 LEU 33 2HD2 LEU 33 18.019 -3.766 8.500 265 3HD2 LEU 33 3HD2 LEU 33 16.721 -4.896 8.888 266 HA PRO 34 HA PRO 34 23.278 -2.853 11.418 267 1HB PRO 34 1HB PRO 34 21.346 -3.425 13.598 268 2HB PRO 34 2HB PRO 34 22.238 -1.931 13.248 269 1HG PRO 34 1HG PRO 34 19.610 -2.166 12.787 270 2HG PRO 34 2HG PRO 34 20.671 -1.176 11.772 271 1HD PRO 34 1HD PRO 34 19.459 -3.829 11.211 272 2HD PRO 34 2HD PRO 34 19.843 -2.497 10.100 273 HA PRO 35 HA PRO 35 25.076 -6.737 12.376 274 1HB PRO 35 1HB PRO 35 26.111 -6.218 14.882 275 2HB PRO 35 2HB PRO 35 26.908 -5.759 13.365 276 1HG PRO 35 1HG PRO 35 25.307 -4.104 15.236 277 2HG PRO 35 2HG PRO 35 26.735 -3.675 14.284 278 1HD PRO 35 1HD PRO 35 24.213 -2.936 13.600 279 2HD PRO 35 2HD PRO 35 25.509 -3.198 12.413 280 H ASP 36 H ASP 36 23.224 -5.080 14.934 281 HA ASP 36 HA ASP 36 22.585 -7.421 16.468 282 1HB ASP 36 1HB ASP 36 21.723 -4.594 16.198 283 2HB ASP 36 2HB ASP 36 20.551 -5.680 16.946 284 H GLN 37 H GLN 37 20.736 -5.688 13.927 285 HA GLN 37 HA GLN 37 18.492 -7.501 13.968 286 1HB GLN 37 1HB GLN 37 19.448 -5.145 12.570 287 2HB GLN 37 2HB GLN 37 18.709 -6.279 11.439 288 1HG GLN 37 1HG GLN 37 16.831 -5.114 12.144 289 2HG GLN 37 2HG GLN 37 16.845 -6.433 13.315 290 2HE2 GLN 37 2HE2 GLN 37 16.501 -5.665 15.396 291 1HE2 GLN 37 1HE2 GLN 37 17.064 -4.180 15.998 292 H ALA 38 H ALA 38 21.382 -7.253 11.884 293 HA ALA 38 HA ALA 38 20.737 -9.354 10.072 294 1HB ALA 38 1HB ALA 38 23.039 -7.740 10.918 295 2HB ALA 38 2HB ALA 38 23.495 -9.336 10.325 296 3HB ALA 38 3HB ALA 38 22.563 -8.247 9.298 297 H GLN 39 H GLN 39 22.686 -9.443 13.080 298 HA GLN 39 HA GLN 39 23.342 -12.200 13.040 299 1HB GLN 39 1HB GLN 39 23.880 -10.078 14.605 300 2HB GLN 39 2HB GLN 39 22.669 -10.863 15.621 301 1HG GLN 39 1HG GLN 39 23.954 -12.984 15.475 302 2HG GLN 39 2HG GLN 39 25.187 -12.151 14.527 303 2HE2 GLN 39 2HE2 GLN 39 26.931 -11.584 15.821 304 1HE2 GLN 39 1HE2 GLN 39 26.827 -11.069 17.436 305 H TYR 40 H TYR 40 20.542 -10.570 14.566 306 HA TYR 40 HA TYR 40 19.298 -12.943 15.577 307 1HB TYR 40 1HB TYR 40 18.793 -10.102 15.274 308 2HB TYR 40 2HB TYR 40 17.324 -11.026 14.957 309 HD1 TYR 40 HD1 TYR 40 20.227 -11.472 17.302 310 HD2 TYR 40 HD2 TYR 40 15.969 -11.135 16.845 311 HE1 TYR 40 HE1 TYR 40 19.935 -11.854 19.735 312 HE2 TYR 40 HE2 TYR 40 15.677 -11.518 19.277 313 HH TYR 40 HH TYR 40 18.111 -12.716 21.254 314 H CYS 41 H CYS 41 18.904 -11.180 12.493 315 HA CYS 41 HA CYS 41 16.759 -12.773 11.454 316 1HB CYS 41 1HB CYS 41 18.967 -11.097 10.239 317 2HB CYS 41 2HB CYS 41 17.695 -11.829 9.262 318 HG CYS 41 HG CYS 41 16.844 -9.990 11.626 319 H ILE 42 H ILE 42 20.293 -12.962 10.859 320 HA ILE 42 HA ILE 42 20.164 -15.340 9.245 321 HB ILE 42 HB ILE 42 22.391 -14.204 10.969 322 1HG1 ILE 42 1HG1 ILE 42 21.881 -13.713 8.027 323 2HG1 ILE 42 2HG1 ILE 42 21.251 -12.644 9.280 324 1HG2 ILE 42 1HG2 ILE 42 22.256 -16.265 8.792 325 2HG2 ILE 42 2HG2 ILE 42 23.699 -15.260 8.934 326 3HG2 ILE 42 3HG2 ILE 42 23.197 -16.279 10.283 327 1HD1 ILE 42 1HD1 ILE 42 23.611 -12.419 10.152 328 2HD1 ILE 42 2HD1 ILE 42 24.156 -13.297 8.723 329 3HD1 ILE 42 3HD1 ILE 42 23.362 -11.732 8.546 330 H LYS 43 H LYS 43 19.821 -14.825 12.618 331 HA LYS 43 HA LYS 43 20.861 -17.358 13.581 332 1HB LYS 43 1HB LYS 43 20.455 -15.155 14.822 333 2HB LYS 43 2HB LYS 43 18.745 -15.581 14.817 334 1HG LYS 43 1HG LYS 43 19.620 -17.873 15.783 335 2HG LYS 43 2HG LYS 43 21.020 -16.907 16.253 336 1HD LYS 43 1HD LYS 43 19.612 -15.371 17.499 337 2HD LYS 43 2HD LYS 43 18.155 -16.180 16.922 338 1HE LYS 43 1HE LYS 43 18.300 -17.401 18.845 339 2HE LYS 43 2HE LYS 43 19.625 -18.262 18.035 340 1HZ LYS 43 1HZ LYS 43 21.055 -16.316 18.780 341 2HZ LYS 43 2HZ LYS 43 19.793 -15.925 19.842 342 3HZ LYS 43 3HZ LYS 43 20.584 -17.422 19.981 343 H ARG 44 H ARG 44 17.963 -16.411 11.960 344 HA ARG 44 HA ARG 44 16.660 -18.990 12.765 345 1HB ARG 44 1HB ARG 44 15.675 -16.205 12.225 346 2HB ARG 44 2HB ARG 44 14.585 -17.569 11.972 347 1HG ARG 44 1HG ARG 44 14.149 -17.206 14.200 348 2HG ARG 44 2HG ARG 44 15.550 -18.259 14.383 349 1HD ARG 44 1HD ARG 44 17.007 -16.198 14.444 350 2HD ARG 44 2HD ARG 44 15.522 -15.226 14.481 351 HE ARG 44 HE ARG 44 15.599 -17.382 16.471 352 1HH1 ARG 44 1HH1 ARG 44 16.326 -14.092 15.698 353 2HH1 ARG 44 2HH1 ARG 44 16.288 -13.564 17.346 354 1HH2 ARG 44 1HH2 ARG 44 15.551 -16.700 18.622 355 2HH2 ARG 44 2HH2 ARG 44 15.849 -15.036 18.997 356 H MET 45 H MET 45 16.582 -16.612 10.064 357 HA MET 45 HA MET 45 15.497 -17.816 7.953 358 1HB MET 45 1HB MET 45 17.417 -15.898 8.323 359 2HB MET 45 2HB MET 45 18.303 -17.094 7.376 360 1HG MET 45 1HG MET 45 16.899 -16.883 5.540 361 2HG MET 45 2HG MET 45 15.534 -16.360 6.523 362 1HE MET 45 1HE MET 45 15.500 -14.573 7.889 363 2HE MET 45 2HE MET 45 16.797 -13.407 8.127 364 3HE MET 45 3HE MET 45 15.461 -13.018 7.049 365 HA PRO 46 HA PRO 46 17.641 -21.834 8.361 366 1HB PRO 46 1HB PRO 46 15.578 -23.255 7.166 367 2HB PRO 46 2HB PRO 46 15.731 -22.984 8.913 368 1HG PRO 46 1HG PRO 46 14.028 -21.589 6.923 369 2HG PRO 46 2HG PRO 46 13.694 -21.996 8.614 370 1HD PRO 46 1HD PRO 46 14.339 -19.496 7.809 371 2HD PRO 46 2HD PRO 46 14.765 -20.132 9.413 372 H ALA 47 H ALA 47 17.382 -23.649 6.306 373 HA ALA 47 HA ALA 47 18.755 -22.321 4.115 374 1HB ALA 47 1HB ALA 47 17.650 -25.118 4.529 375 2HB ALA 47 2HB ALA 47 19.303 -24.586 4.838 376 3HB ALA 47 3HB ALA 47 18.693 -24.657 3.184 377 H TYR 48 H TYR 48 17.881 -21.608 2.199 378 HA TYR 48 HA TYR 48 15.233 -20.956 1.775 379 1HB TYR 48 1HB TYR 48 15.877 -20.647 -0.487 380 2HB TYR 48 2HB TYR 48 17.380 -20.496 0.419 381 HD1 TYR 48 HD1 TYR 48 17.003 -21.266 -2.553 382 HD2 TYR 48 HD2 TYR 48 17.514 -23.604 1.013 383 HE1 TYR 48 HE1 TYR 48 17.989 -23.103 -3.897 384 HE2 TYR 48 HE2 TYR 48 18.496 -25.439 -0.329 385 HH TYR 48 HH TYR 48 19.744 -25.570 -2.624 386 H SER 49 H SER 49 13.670 -21.968 0.149 387 HA SER 49 HA SER 49 13.607 -24.946 0.520 388 1HB SER 49 1HB SER 49 11.806 -22.852 1.215 389 2HB SER 49 2HB SER 49 11.048 -23.779 -0.076 390 HG SER 49 HG SER 49 11.519 -24.449 2.517 391 H GLY 50 H GLY 50 13.009 -22.249 -1.702 392 1HA GLY 50 1HA GLY 50 12.638 -22.229 -4.026 393 2HA GLY 50 2HA GLY 50 12.085 -23.900 -3.890 394 HA PRO 51 HA PRO 51 16.015 -25.549 -4.963 395 1HB PRO 51 1HB PRO 51 14.847 -25.999 -7.647 396 2HB PRO 51 2HB PRO 51 15.507 -27.177 -6.497 397 1HG PRO 51 1HG PRO 51 12.881 -26.968 -6.974 398 2HG PRO 51 2HG PRO 51 13.527 -27.412 -5.387 399 1HD PRO 51 1HD PRO 51 12.382 -24.822 -6.301 400 2HD PRO 51 2HD PRO 51 12.281 -25.610 -4.712 401 H GLY 52 H GLY 52 17.771 -25.034 -6.500 402 1HA GLY 52 1HA GLY 52 17.301 -22.635 -8.195 403 2HA GLY 52 2HA GLY 52 18.698 -23.705 -8.308 404 H SER 53 H SER 53 17.459 -20.838 -6.887 405 HA SER 53 HA SER 53 18.632 -19.147 -5.754 406 1HB SER 53 1HB SER 53 18.277 -19.735 -3.603 407 2HB SER 53 2HB SER 53 17.781 -21.295 -4.236 408 HG SER 53 HG SER 53 19.604 -21.081 -2.581 409 H VAL 54 H VAL 54 20.803 -19.513 -3.972 410 HA VAL 54 HA VAL 54 23.019 -20.329 -5.823 411 HB VAL 54 HB VAL 54 24.220 -18.337 -4.742 412 1HG1 VAL 54 1HG1 VAL 54 23.158 -18.365 -7.036 413 2HG1 VAL 54 2HG1 VAL 54 21.713 -17.667 -6.305 414 3HG1 VAL 54 3HG1 VAL 54 23.232 -16.770 -6.288 415 1HG2 VAL 54 1HG2 VAL 54 22.360 -18.309 -2.896 416 2HG2 VAL 54 2HG2 VAL 54 22.988 -16.774 -3.494 417 3HG2 VAL 54 3HG2 VAL 54 21.441 -17.382 -4.081 418 HA PRO 55 HA PRO 55 24.794 -22.322 -2.356 419 1HB PRO 55 1HB PRO 55 27.419 -21.000 -2.663 420 2HB PRO 55 2HB PRO 55 26.990 -22.707 -2.879 421 1HG PRO 55 1HG PRO 55 27.577 -21.097 -4.944 422 2HG PRO 55 2HG PRO 55 26.416 -22.428 -5.068 423 1HD PRO 55 1HD PRO 55 25.920 -19.501 -4.863 424 2HD PRO 55 2HD PRO 55 25.022 -20.746 -5.760 425 H GLY 56 H GLY 56 23.651 -21.233 -0.640 426 1HA GLY 56 1HA GLY 56 25.242 -19.100 0.733 427 2HA GLY 56 2HA GLY 56 24.422 -20.386 1.620 428 H ALA 57 H ALA 57 22.108 -20.228 -0.311 429 HA ALA 57 HA ALA 57 20.991 -17.535 0.145 430 1HB ALA 57 1HB ALA 57 19.520 -19.918 -0.956 431 2HB ALA 57 2HB ALA 57 20.799 -19.165 -1.909 432 3HB ALA 57 3HB ALA 57 19.388 -18.223 -1.425 433 H LEU 58 H LEU 58 19.286 -17.100 1.583 434 HA LEU 58 HA LEU 58 18.380 -19.364 3.332 435 1HB LEU 58 1HB LEU 58 19.128 -16.520 4.097 436 2HB LEU 58 2HB LEU 58 18.556 -17.761 5.212 437 HG LEU 58 HG LEU 58 21.000 -18.155 3.478 438 1HD1 LEU 58 1HD1 LEU 58 21.017 -16.152 5.182 439 2HD1 LEU 58 2HD1 LEU 58 21.141 -17.431 6.391 440 3HD1 LEU 58 3HD1 LEU 58 22.378 -17.273 5.145 441 1HD2 LEU 58 1HD2 LEU 58 19.759 -20.111 4.549 442 2HD2 LEU 58 2HD2 LEU 58 21.464 -19.968 4.976 443 3HD2 LEU 58 3HD2 LEU 58 20.223 -19.434 6.111 444 H ASP 59 H ASP 59 16.233 -18.942 4.332 445 HA ASP 59 HA ASP 59 14.580 -17.093 2.640 446 1HB ASP 59 1HB ASP 59 12.741 -18.724 3.452 447 2HB ASP 59 2HB ASP 59 13.909 -19.340 2.286 448 H TYR 60 H TYR 60 14.211 -15.241 3.814 449 HA TYR 60 HA TYR 60 14.163 -15.141 6.717 450 1HB TYR 60 1HB TYR 60 13.380 -12.791 6.186 451 2HB TYR 60 2HB TYR 60 14.857 -13.254 5.340 452 HD1 TYR 60 HD1 TYR 60 14.971 -13.190 2.994 453 HD2 TYR 60 HD2 TYR 60 11.142 -13.119 4.938 454 HE1 TYR 60 HE1 TYR 60 13.872 -12.760 0.813 455 HE2 TYR 60 HE2 TYR 60 10.042 -12.690 2.757 456 HH TYR 60 HH TYR 60 11.489 -13.187 -0.158 457 H ALA 61 H ALA 61 11.777 -15.559 4.166 458 HA ALA 61 HA ALA 61 9.385 -14.879 5.509 459 1HB ALA 61 1HB ALA 61 10.149 -16.942 3.434 460 2HB ALA 61 2HB ALA 61 8.474 -16.715 3.934 461 3HB ALA 61 3HB ALA 61 9.357 -15.386 3.181 462 H ALA 62 H ALA 62 11.196 -17.963 5.500 463 HA ALA 62 HA ALA 62 9.370 -19.442 7.125 464 1HB ALA 62 1HB ALA 62 12.251 -19.981 7.451 465 2HB ALA 62 2HB ALA 62 11.723 -19.872 5.772 466 3HB ALA 62 3HB ALA 62 10.975 -21.044 6.856 467 H PHE 63 H PHE 63 11.954 -17.211 7.904 468 HA PHE 63 HA PHE 63 12.033 -17.747 10.752 469 1HB PHE 63 1HB PHE 63 13.908 -16.753 9.587 470 2HB PHE 63 2HB PHE 63 12.899 -15.436 8.988 471 HD1 PHE 63 HD1 PHE 63 12.575 -16.800 12.400 472 HD2 PHE 63 HD2 PHE 63 14.229 -13.656 9.985 473 HE1 PHE 63 HE1 PHE 63 13.073 -15.490 14.446 474 HE2 PHE 63 HE2 PHE 63 14.725 -12.345 12.033 475 HZ PHE 63 HZ PHE 63 14.147 -13.264 14.262 476 H SER 64 H SER 64 10.241 -15.490 8.688 477 HA SER 64 HA SER 64 9.195 -13.784 10.722 478 1HB SER 64 1HB SER 64 7.461 -14.417 8.418 479 2HB SER 64 2HB SER 64 8.134 -12.869 8.921 480 HG SER 64 HG SER 64 10.052 -13.406 7.939 481 H SER 65 H SER 65 7.751 -16.694 9.198 482 HA SER 65 HA SER 65 5.347 -16.755 10.706 483 1HB SER 65 1HB SER 65 5.975 -18.095 8.670 484 2HB SER 65 2HB SER 65 7.011 -19.084 9.696 485 HG SER 65 HG SER 65 4.418 -19.333 9.271 486 H ALA 66 H ALA 66 8.562 -18.102 11.436 487 HA ALA 66 HA ALA 66 7.770 -19.478 13.849 488 1HB ALA 66 1HB ALA 66 10.271 -19.476 14.194 489 2HB ALA 66 2HB ALA 66 9.773 -20.056 12.604 490 3HB ALA 66 3HB ALA 66 10.408 -18.421 12.788 491 H LEU 67 H LEU 67 9.121 -16.245 13.199 492 HA LEU 67 HA LEU 67 9.575 -15.427 15.887 493 1HB LEU 67 1HB LEU 67 9.423 -14.322 13.210 494 2HB LEU 67 2HB LEU 67 8.727 -13.200 14.380 495 HG LEU 67 HG LEU 67 11.426 -14.530 14.731 496 1HD1 LEU 67 1HD1 LEU 67 10.694 -11.792 13.654 497 2HD1 LEU 67 2HD1 LEU 67 12.321 -12.253 14.156 498 3HD1 LEU 67 3HD1 LEU 67 11.553 -13.072 12.796 499 1HD2 LEU 67 1HD2 LEU 67 9.694 -13.084 16.472 500 2HD2 LEU 67 2HD2 LEU 67 11.339 -13.633 16.795 501 3HD2 LEU 67 3HD2 LEU 67 11.064 -12.035 16.104 502 H TYR 68 H TYR 68 6.639 -15.246 13.868 503 HA TYR 68 HA TYR 68 5.118 -14.113 16.164 504 1HB TYR 68 1HB TYR 68 4.773 -14.392 13.193 505 2HB TYR 68 2HB TYR 68 3.352 -14.122 14.200 506 HD1 TYR 68 HD1 TYR 68 6.456 -12.676 12.900 507 HD2 TYR 68 HD2 TYR 68 3.128 -12.060 15.544 508 HE1 TYR 68 HE1 TYR 68 7.008 -10.261 13.032 509 HE2 TYR 68 HE2 TYR 68 3.677 -9.646 15.676 510 HH TYR 68 HH TYR 68 5.061 -8.040 15.036 511 H GLY 69 H GLY 69 5.706 -17.105 14.555 512 1HA GLY 69 1HA GLY 69 3.685 -18.419 16.272 513 2HA GLY 69 2HA GLY 69 4.969 -19.236 15.380 514 H GLU 70 H GLU 70 2.904 -20.594 14.868 515 HA GLU 70 HA GLU 70 1.133 -19.417 12.823 516 1HB GLU 70 1HB GLU 70 3.323 -19.947 11.707 517 2HB GLU 70 2HB GLU 70 3.090 -21.637 12.153 518 1HG GLU 70 1HG GLU 70 2.196 -21.601 9.998 519 2HG GLU 70 2HG GLU 70 0.756 -21.332 10.981 520 H SER 71 H SER 71 2.338 -22.691 13.664 521 HA SER 71 HA SER 71 1.164 -24.572 14.491 522 1HB SER 71 1HB SER 71 0.012 -22.198 15.609 523 2HB SER 71 2HB SER 71 -1.293 -23.326 15.254 524 HG SER 71 HG SER 71 0.108 -23.424 17.340 525 H ASP 72 H ASP 72 -0.435 -26.041 13.689 526 HA ASP 72 HA ASP 72 -1.526 -25.346 11.047 527 1HB ASP 72 1HB ASP 72 -2.134 -27.771 11.093 528 2HB ASP 72 2HB ASP 72 -0.436 -27.498 11.481 529 H LEU 73 H LEU 73 -3.571 -24.545 10.791 530 HA LEU 73 HA LEU 73 -5.497 -24.781 13.058 531 1HB LEU 73 1HB LEU 73 -5.316 -23.027 10.588 532 2HB LEU 73 2HB LEU 73 -6.645 -22.949 11.744 533 HG LEU 73 HG LEU 73 -4.223 -22.879 13.238 534 1HD1 LEU 73 1HD1 LEU 73 -3.896 -21.745 10.632 535 2HD1 LEU 73 2HD1 LEU 73 -3.951 -20.425 11.800 536 3HD1 LEU 73 3HD1 LEU 73 -2.764 -21.715 11.983 537 1HD2 LEU 73 1HD2 LEU 73 -6.250 -20.724 12.548 538 2HD2 LEU 73 2HD2 LEU 73 -6.371 -21.865 13.887 539 3HD2 LEU 73 3HD2 LEU 73 -5.096 -20.646 13.880 540 H GLY 7 H GLY 7 11.969 6.115 -0.882 541 1HA GLY 7 1HA GLY 7 14.543 5.261 0.380 542 2HA GLY 7 2HA GLY 7 14.441 5.615 -1.345 543 H LYS 8 H LYS 8 11.683 4.125 0.099 544 HA LYS 8 HA LYS 8 10.709 2.011 -0.314 545 1HB LYS 8 1HB LYS 8 12.167 2.760 -2.569 546 2HB LYS 8 2HB LYS 8 12.743 1.128 -2.227 547 1HG LYS 8 1HG LYS 8 10.836 0.866 -3.648 548 2HG LYS 8 2HG LYS 8 10.290 0.447 -2.024 549 1HD LYS 8 1HD LYS 8 8.959 2.303 -1.844 550 2HD LYS 8 2HD LYS 8 10.056 3.308 -2.791 551 1HE LYS 8 1HE LYS 8 8.110 3.011 -4.166 552 2HE LYS 8 2HE LYS 8 9.319 1.891 -4.825 553 1HZ LYS 8 1HZ LYS 8 7.500 1.063 -2.650 554 2HZ LYS 8 2HZ LYS 8 7.009 0.961 -4.269 555 3HZ LYS 8 3HZ LYS 8 8.368 0.088 -3.739 556 H LYS 9 H LYS 9 14.230 1.478 -0.784 557 HA LYS 9 HA LYS 9 14.300 -1.011 0.620 558 1HB LYS 9 1HB LYS 9 15.991 0.567 -0.898 559 2HB LYS 9 2HB LYS 9 16.735 0.638 0.700 560 1HG LYS 9 1HG LYS 9 16.442 -1.924 0.752 561 2HG LYS 9 2HG LYS 9 16.157 -1.800 -0.984 562 1HD LYS 9 1HD LYS 9 18.447 -2.074 -1.015 563 2HD LYS 9 2HD LYS 9 18.380 -0.318 -0.858 564 1HE LYS 9 1HE LYS 9 18.472 -0.629 1.660 565 2HE LYS 9 2HE LYS 9 18.818 -2.344 1.359 566 1HZ LYS 9 1HZ LYS 9 20.325 -0.343 -0.159 567 2HZ LYS 9 2HZ LYS 9 20.746 -0.572 1.468 568 3HZ LYS 9 3HZ LYS 9 20.809 -1.878 0.384 569 H ALA 10 H ALA 10 14.969 2.328 1.700 570 HA ALA 10 HA ALA 10 15.833 1.737 4.346 571 1HB ALA 10 1HB ALA 10 15.008 4.105 4.743 572 2HB ALA 10 2HB ALA 10 16.070 3.928 3.347 573 3HB ALA 10 3HB ALA 10 14.327 4.066 3.116 574 H GLU 11 H GLU 11 12.574 2.081 2.972 575 HA GLU 11 HA GLU 11 11.142 2.030 5.470 576 1HB GLU 11 1HB GLU 11 10.627 2.333 2.741 577 2HB GLU 11 2HB GLU 11 9.777 0.849 3.173 578 1HG GLU 11 1HG GLU 11 9.546 3.280 4.929 579 2HG GLU 11 2HG GLU 11 8.551 3.138 3.481 580 H ALA 12 H ALA 12 12.090 -0.526 3.159 581 HA ALA 12 HA ALA 12 10.793 -2.707 4.486 582 1HB ALA 12 1HB ALA 12 11.533 -3.281 2.382 583 2HB ALA 12 2HB ALA 12 12.963 -2.255 2.499 584 3HB ALA 12 3HB ALA 12 12.944 -3.834 3.283 585 H VAL 13 H VAL 13 14.037 -1.280 4.842 586 HA VAL 13 HA VAL 13 15.072 -3.161 6.739 587 HB VAL 13 HB VAL 13 15.602 -0.221 6.200 588 1HG1 VAL 13 1HG1 VAL 13 16.348 -1.003 8.482 589 2HG1 VAL 13 2HG1 VAL 13 17.371 -2.191 7.674 590 3HG1 VAL 13 3HG1 VAL 13 17.663 -0.468 7.434 591 1HG2 VAL 13 1HG2 VAL 13 15.969 -2.098 4.422 592 2HG2 VAL 13 2HG2 VAL 13 17.276 -0.952 4.717 593 3HG2 VAL 13 3HG2 VAL 13 17.337 -2.563 5.433 594 H ALA 14 H ALA 14 13.247 -0.128 7.109 595 HA ALA 14 HA ALA 14 13.350 0.075 9.952 596 1HB ALA 14 1HB ALA 14 12.359 1.506 7.839 597 2HB ALA 14 2HB ALA 14 11.988 1.864 9.525 598 3HB ALA 14 3HB ALA 14 10.869 0.899 8.562 599 H THR 15 H THR 15 11.184 -1.724 7.789 600 HA THR 15 HA THR 15 9.291 -2.519 9.819 601 HB THR 15 HB THR 15 9.948 -4.066 7.316 602 HG1 THR 15 HG1 THR 15 9.055 -2.501 6.105 603 1HG2 THR 15 1HG2 THR 15 8.051 -4.556 9.060 604 2HG2 THR 15 2HG2 THR 15 7.236 -3.203 8.273 605 3HG2 THR 15 3HG2 THR 15 7.685 -4.629 7.336 606 H VAL 16 H VAL 16 12.073 -4.198 8.314 607 HA VAL 16 HA VAL 16 11.852 -6.630 9.792 608 HB VAL 16 HB VAL 16 14.333 -5.245 8.725 609 1HG1 VAL 16 1HG1 VAL 16 13.680 -7.959 9.715 610 2HG1 VAL 16 2HG1 VAL 16 14.594 -7.907 8.208 611 3HG1 VAL 16 3HG1 VAL 16 15.233 -7.127 9.655 612 1HG2 VAL 16 1HG2 VAL 16 11.956 -6.076 7.364 613 2HG2 VAL 16 2HG2 VAL 16 13.451 -5.456 6.663 614 3HG2 VAL 16 3HG2 VAL 16 13.253 -7.188 6.927 615 H VAL 17 H VAL 17 13.704 -3.645 10.458 616 HA VAL 17 HA VAL 17 15.028 -4.552 12.819 617 HB VAL 17 HB VAL 17 14.072 -1.806 11.947 618 1HG1 VAL 17 1HG1 VAL 17 15.673 -2.765 14.253 619 2HG1 VAL 17 2HG1 VAL 17 16.331 -1.377 13.388 620 3HG1 VAL 17 3HG1 VAL 17 14.712 -1.296 14.084 621 1HG2 VAL 17 1HG2 VAL 17 15.689 -3.319 10.510 622 2HG2 VAL 17 2HG2 VAL 17 16.067 -1.614 10.753 623 3HG2 VAL 17 3HG2 VAL 17 16.882 -2.843 11.719 624 H ALA 18 H ALA 18 12.000 -2.656 12.481 625 HA ALA 18 HA ALA 18 11.341 -2.534 15.246 626 1HB ALA 18 1HB ALA 18 10.366 -1.520 12.951 627 2HB ALA 18 2HB ALA 18 9.197 -2.818 13.190 628 3HB ALA 18 3HB ALA 18 9.404 -1.579 14.428 629 H ALA 19 H ALA 19 10.557 -4.990 12.778 630 HA ALA 19 HA ALA 19 8.817 -6.591 14.394 631 1HB ALA 19 1HB ALA 19 9.141 -8.206 12.637 632 2HB ALA 19 2HB ALA 19 10.704 -7.510 12.208 633 3HB ALA 19 3HB ALA 19 9.220 -6.616 11.878 634 H VAL 20 H VAL 20 12.349 -6.696 13.883 635 HA VAL 20 HA VAL 20 12.833 -9.060 15.448 636 HB VAL 20 HB VAL 20 14.511 -6.656 14.673 637 1HG1 VAL 20 1HG1 VAL 20 15.300 -9.282 15.965 638 2HG1 VAL 20 2HG1 VAL 20 16.449 -8.194 15.184 639 3HG1 VAL 20 3HG1 VAL 20 15.555 -7.659 16.608 640 1HG2 VAL 20 1HG2 VAL 20 13.490 -8.832 13.206 641 2HG2 VAL 20 2HG2 VAL 20 14.746 -7.706 12.691 642 3HG2 VAL 20 3HG2 VAL 20 15.188 -9.216 13.489 643 H ASP 21 H ASP 21 12.855 -5.583 16.258 644 HA ASP 21 HA ASP 21 13.764 -5.863 18.961 645 1HB ASP 21 1HB ASP 21 13.554 -3.808 17.416 646 2HB ASP 21 2HB ASP 21 11.861 -3.761 17.910 647 H GLN 22 H GLN 22 10.497 -5.869 17.532 648 HA GLN 22 HA GLN 22 8.970 -5.841 19.925 649 1HB GLN 22 1HB GLN 22 8.450 -5.835 17.294 650 2HB GLN 22 2HB GLN 22 8.149 -7.545 17.609 651 1HG GLN 22 1HG GLN 22 6.435 -7.075 19.173 652 2HG GLN 22 2HG GLN 22 6.936 -5.392 19.343 653 2HE2 GLN 22 2HE2 GLN 22 4.239 -6.267 18.582 654 1HE2 GLN 22 1HE2 GLN 22 3.949 -5.672 17.020 655 H ALA 23 H ALA 23 10.227 -8.639 18.070 656 HA ALA 23 HA ALA 23 9.205 -10.713 19.705 657 1HB ALA 23 1HB ALA 23 10.338 -10.848 17.454 658 2HB ALA 23 2HB ALA 23 10.922 -12.041 18.613 659 3HB ALA 23 3HB ALA 23 11.878 -10.598 18.275 660 H ARG 24 H ARG 24 12.229 -8.848 20.007 661 HA ARG 24 HA ARG 24 13.316 -10.320 22.221 662 1HB ARG 24 1HB ARG 24 13.834 -7.950 20.633 663 2HB ARG 24 2HB ARG 24 14.168 -7.632 22.336 664 1HG ARG 24 1HG ARG 24 15.186 -10.106 20.929 665 2HG ARG 24 2HG ARG 24 16.106 -8.601 20.971 666 1HD ARG 24 1HD ARG 24 15.042 -9.829 23.521 667 2HD ARG 24 2HD ARG 24 16.602 -10.330 22.838 668 HE ARG 24 HE ARG 24 16.021 -7.725 24.035 669 1HH1 ARG 24 1HH1 ARG 24 17.909 -9.519 21.765 670 2HH1 ARG 24 2HH1 ARG 24 19.236 -8.407 21.795 671 1HH2 ARG 24 1HH2 ARG 24 17.748 -6.273 24.086 672 2HH2 ARG 24 2HH2 ARG 24 19.145 -6.571 23.106 673 H VAL 25 H VAL 25 11.248 -7.421 22.044 674 HA VAL 25 HA VAL 25 11.223 -6.813 24.834 675 HB VAL 25 HB VAL 25 9.139 -6.401 22.667 676 1HG1 VAL 25 1HG1 VAL 25 9.549 -5.183 25.403 677 2HG1 VAL 25 2HG1 VAL 25 8.622 -4.364 24.145 678 3HG1 VAL 25 3HG1 VAL 25 8.091 -5.932 24.751 679 1HG2 VAL 25 1HG2 VAL 25 11.785 -5.296 23.119 680 2HG2 VAL 25 2HG2 VAL 25 10.691 -5.037 21.760 681 3HG2 VAL 25 3HG2 VAL 25 10.560 -4.031 23.203 682 H ARG 26 H ARG 26 9.650 -9.294 22.996 683 HA ARG 26 HA ARG 26 7.867 -9.949 25.314 684 1HB ARG 26 1HB ARG 26 7.463 -9.707 22.532 685 2HB ARG 26 2HB ARG 26 7.399 -11.438 22.868 686 1HG ARG 26 1HG ARG 26 5.681 -11.126 24.533 687 2HG ARG 26 2HG ARG 26 5.849 -9.372 24.451 688 1HD ARG 26 1HD ARG 26 5.110 -9.436 22.066 689 2HD ARG 26 2HD ARG 26 4.849 -11.185 22.225 690 HE ARG 26 HE ARG 26 3.166 -9.099 23.388 691 1HH1 ARG 26 1HH1 ARG 26 4.358 -12.333 23.640 692 2HH1 ARG 26 2HH1 ARG 26 3.000 -12.900 24.549 693 1HH2 ARG 26 1HH2 ARG 26 1.389 -9.831 24.573 694 2HH2 ARG 26 2HH2 ARG 26 1.323 -11.485 25.082 695 H GLU 27 H GLU 27 10.843 -10.642 24.802 696 HA GLU 27 HA GLU 27 10.801 -13.566 24.449 697 1HB GLU 27 1HB GLU 27 12.588 -11.496 24.020 698 2HB GLU 27 2HB GLU 27 13.236 -12.271 25.466 699 1HG GLU 27 1HG GLU 27 12.829 -14.493 24.140 700 2HG GLU 27 2HG GLU 27 12.816 -13.437 22.727 701 HA PRO 28 HA PRO 28 9.852 -14.214 28.759 702 1HB PRO 28 1HB PRO 28 10.822 -16.799 28.865 703 2HB PRO 28 2HB PRO 28 9.193 -16.370 28.307 704 1HG PRO 28 1HG PRO 28 11.617 -17.037 26.734 705 2HG PRO 28 2HG PRO 28 9.918 -17.409 26.407 706 1HD PRO 28 1HD PRO 28 11.283 -15.437 25.134 707 2HD PRO 28 2HD PRO 28 9.530 -15.387 25.412 708 H ARG 29 H ARG 29 11.278 -15.146 30.654 709 HA ARG 29 HA ARG 29 14.094 -14.201 30.228 710 1HB ARG 29 1HB ARG 29 12.575 -12.871 31.716 711 2HB ARG 29 2HB ARG 29 12.404 -14.292 32.748 712 1HG ARG 29 1HG ARG 29 15.134 -14.103 32.504 713 2HG ARG 29 2HG ARG 29 14.652 -12.406 32.515 714 1HD ARG 29 1HD ARG 29 13.163 -13.075 34.555 715 2HD ARG 29 2HD ARG 29 14.227 -14.494 34.648 716 HE ARG 29 HE ARG 29 15.999 -13.064 35.296 717 1HH1 ARG 29 1HH1 ARG 29 13.359 -11.320 33.915 718 2HH1 ARG 29 2HH1 ARG 29 14.025 -9.765 34.284 719 1HH2 ARG 29 1HH2 ARG 29 16.875 -11.042 35.786 720 2HH2 ARG 29 2HH2 ARG 29 16.009 -9.608 35.348 No H/Q in entry = 720 Start of MODEL 13 1 H MET 1 H MET 1 4.088 -9.033 -0.595 2 HA MET 1 HA MET 1 3.672 -10.562 -2.591 3 1HB MET 1 1HB MET 1 4.747 -11.295 -0.393 4 2HB MET 1 2HB MET 1 3.165 -11.929 0.065 5 1HG MET 1 1HG MET 1 3.192 -13.569 -1.599 6 2HG MET 1 2HG MET 1 4.362 -12.691 -2.584 7 1HE MET 1 1HE MET 1 3.591 -15.392 -1.127 8 2HE MET 1 2HE MET 1 5.143 -16.203 -1.374 9 3HE MET 1 3HE MET 1 4.574 -15.860 0.257 10 H ALA 2 H ALA 2 1.139 -10.483 -0.076 11 HA ALA 2 HA ALA 2 -0.910 -11.020 -2.138 12 1HB ALA 2 1HB ALA 2 -0.603 -13.258 -1.694 13 2HB ALA 2 2HB ALA 2 0.085 -12.950 -0.101 14 3HB ALA 2 3HB ALA 2 -1.663 -12.890 -0.334 15 H ASP 3 H ASP 3 -0.289 -10.773 1.382 16 HA ASP 3 HA ASP 3 -2.752 -9.067 1.587 17 1HB ASP 3 1HB ASP 3 -2.599 -11.485 2.603 18 2HB ASP 3 2HB ASP 3 -1.610 -10.707 3.839 19 H THR 4 H THR 4 -2.573 -7.701 3.733 20 HA THR 4 HA THR 4 0.239 -6.830 4.236 21 HB THR 4 HB THR 4 -0.554 -4.470 3.890 22 HG1 THR 4 HG1 THR 4 -2.858 -5.861 3.012 23 1HG2 THR 4 1HG2 THR 4 0.541 -5.917 2.094 24 2HG2 THR 4 2HG2 THR 4 -1.080 -6.169 1.448 25 3HG2 THR 4 3HG2 THR 4 -0.398 -4.543 1.512 26 H ASP 5 H ASP 5 0.474 -6.826 6.435 27 HA ASP 5 HA ASP 5 -1.429 -5.467 8.174 28 1HB ASP 5 1HB ASP 5 -2.040 -8.069 7.436 29 2HB ASP 5 2HB ASP 5 -1.235 -8.280 8.992 30 H THR 6 H THR 6 0.700 -8.307 8.658 31 HA THR 6 HA THR 6 2.674 -6.593 10.074 32 HB THR 6 HB THR 6 2.358 -8.646 11.858 33 HG1 THR 6 HG1 THR 6 0.251 -9.155 12.001 34 1HG2 THR 6 1HG2 THR 6 2.354 -6.080 12.134 35 2HG2 THR 6 2HG2 THR 6 0.602 -6.196 11.966 36 3HG2 THR 6 3HG2 THR 6 1.418 -7.022 13.294 37 H ALA 7 H ALA 7 1.947 -10.100 9.899 38 HA ALA 7 HA ALA 7 4.679 -10.899 9.583 39 1HB ALA 7 1HB ALA 7 1.951 -12.064 9.330 40 2HB ALA 7 2HB ALA 7 3.253 -12.949 8.536 41 3HB ALA 7 3HB ALA 7 3.330 -12.634 10.270 42 H GLU 8 H GLU 8 2.040 -10.605 7.177 43 HA GLU 8 HA GLU 8 3.489 -11.304 4.858 44 1HB GLU 8 1HB GLU 8 0.968 -10.367 5.552 45 2HB GLU 8 2HB GLU 8 1.609 -9.074 4.538 46 1HG GLU 8 1HG GLU 8 1.594 -12.008 3.772 47 2HG GLU 8 2HG GLU 8 0.412 -10.821 3.216 48 H GLN 9 H GLN 9 3.303 -8.202 6.582 49 HA GLN 9 HA GLN 9 4.633 -6.571 4.655 50 1HB GLN 9 1HB GLN 9 3.366 -6.090 6.910 51 2HB GLN 9 2HB GLN 9 4.969 -6.256 7.629 52 1HG GLN 9 1HG GLN 9 4.756 -3.939 7.140 53 2HG GLN 9 2HG GLN 9 5.766 -4.588 5.847 54 2HE2 GLN 9 2HE2 GLN 9 3.456 -2.373 6.140 55 1HE2 GLN 9 1HE2 GLN 9 2.561 -2.627 4.720 56 H VAL 10 H VAL 10 5.900 -8.665 7.242 57 HA VAL 10 HA VAL 10 8.627 -7.880 7.162 58 HB VAL 10 HB VAL 10 7.348 -10.597 7.616 59 1HG1 VAL 10 1HG1 VAL 10 10.093 -9.778 7.548 60 2HG1 VAL 10 2HG1 VAL 10 9.663 -10.136 9.221 61 3HG1 VAL 10 3HG1 VAL 10 9.436 -11.359 7.972 62 1HG2 VAL 10 1HG2 VAL 10 7.200 -8.129 9.061 63 2HG2 VAL 10 2HG2 VAL 10 6.525 -9.696 9.510 64 3HG2 VAL 10 3HG2 VAL 10 8.159 -9.263 10.010 65 H ILE 11 H ILE 11 6.881 -10.324 5.225 66 HA ILE 11 HA ILE 11 9.130 -11.272 3.732 67 HB ILE 11 HB ILE 11 6.154 -11.080 3.176 68 1HG1 ILE 11 1HG1 ILE 11 7.052 -13.739 3.490 69 2HG1 ILE 11 2HG1 ILE 11 7.852 -12.810 4.757 70 1HG2 ILE 11 1HG2 ILE 11 8.332 -11.779 1.399 71 2HG2 ILE 11 2HG2 ILE 11 7.289 -13.174 1.674 72 3HG2 ILE 11 3HG2 ILE 11 6.607 -11.672 1.050 73 1HD1 ILE 11 1HD1 ILE 11 5.406 -11.759 5.004 74 2HD1 ILE 11 2HD1 ILE 11 4.943 -13.323 4.331 75 3HD1 ILE 11 3HD1 ILE 11 5.861 -13.246 5.835 76 H ALA 12 H ALA 12 6.689 -8.761 2.960 77 HA ALA 12 HA ALA 12 7.745 -7.960 0.445 78 1HB ALA 12 1HB ALA 12 5.673 -7.267 2.141 79 2HB ALA 12 2HB ALA 12 6.068 -6.422 0.645 80 3HB ALA 12 3HB ALA 12 6.689 -5.826 2.185 81 H SER 13 H SER 13 8.512 -6.874 3.754 82 HA SER 13 HA SER 13 10.443 -4.876 2.993 83 1HB SER 13 1HB SER 13 10.735 -4.713 5.304 84 2HB SER 13 2HB SER 13 9.157 -5.492 5.241 85 HG SER 13 HG SER 13 10.049 -7.375 5.797 86 H PHE 14 H PHE 14 10.654 -8.343 3.777 87 HA PHE 14 HA PHE 14 13.539 -8.517 3.654 88 1HB PHE 14 1HB PHE 14 11.169 -10.255 3.860 89 2HB PHE 14 2HB PHE 14 12.521 -11.008 3.014 90 HD1 PHE 14 HD1 PHE 14 11.107 -10.534 6.168 91 HD2 PHE 14 HD2 PHE 14 14.910 -10.451 4.174 92 HE1 PHE 14 HE1 PHE 14 12.250 -10.917 8.335 93 HE2 PHE 14 HE2 PHE 14 16.054 -10.833 6.341 94 HZ PHE 14 HZ PHE 14 14.725 -11.066 8.421 95 H ARG 15 H ARG 15 10.929 -9.064 1.286 96 HA ARG 15 HA ARG 15 12.434 -10.045 -0.891 97 1HB ARG 15 1HB ARG 15 9.855 -9.395 -0.393 98 2HB ARG 15 2HB ARG 15 10.311 -8.014 -1.392 99 1HG ARG 15 1HG ARG 15 10.885 -9.391 -3.234 100 2HG ARG 15 2HG ARG 15 10.931 -10.846 -2.237 101 1HD ARG 15 1HD ARG 15 8.591 -11.004 -2.128 102 2HD ARG 15 2HD ARG 15 8.363 -9.283 -2.496 103 HE ARG 15 HE ARG 15 9.733 -10.697 -4.639 104 1HH1 ARG 15 1HH1 ARG 15 6.687 -9.934 -3.197 105 2HH1 ARG 15 2HH1 ARG 15 5.796 -10.136 -4.669 106 1HH2 ARG 15 1HH2 ARG 15 8.579 -10.961 -6.561 107 2HH2 ARG 15 2HH2 ARG 15 6.864 -10.714 -6.569 108 H ILE 16 H ILE 16 11.802 -6.669 0.088 109 HA ILE 16 HA ILE 16 13.191 -5.393 -2.062 110 HB ILE 16 HB ILE 16 12.597 -4.641 0.816 111 1HG1 ILE 16 1HG1 ILE 16 11.320 -3.815 -1.812 112 2HG1 ILE 16 2HG1 ILE 16 10.663 -5.025 -0.709 113 1HG2 ILE 16 1HG2 ILE 16 14.313 -3.340 -1.107 114 2HG2 ILE 16 2HG2 ILE 16 12.904 -2.330 -0.786 115 3HG2 ILE 16 3HG2 ILE 16 13.936 -2.851 0.546 116 1HD1 ILE 16 1HD1 ILE 16 11.348 -2.385 0.476 117 2HD1 ILE 16 2HD1 ILE 16 9.950 -2.426 -0.597 118 3HD1 ILE 16 3HD1 ILE 16 9.996 -3.460 0.831 119 H LEU 17 H LEU 17 14.282 -6.380 1.197 120 HA LEU 17 HA LEU 17 16.976 -5.424 0.945 121 1HB LEU 17 1HB LEU 17 15.356 -7.194 2.680 122 2HB LEU 17 2HB LEU 17 17.088 -7.530 2.692 123 HG LEU 17 HG LEU 17 17.563 -5.185 3.229 124 1HD1 LEU 17 1HD1 LEU 17 14.732 -4.916 2.497 125 2HD1 LEU 17 2HD1 LEU 17 15.149 -4.076 3.990 126 3HD1 LEU 17 3HD1 LEU 17 16.011 -3.702 2.498 127 1HD2 LEU 17 1HD2 LEU 17 16.830 -6.984 4.989 128 2HD2 LEU 17 2HD2 LEU 17 16.946 -5.297 5.489 129 3HD2 LEU 17 3HD2 LEU 17 15.371 -6.002 5.124 130 H ALA 18 H ALA 18 15.402 -8.468 0.050 131 HA ALA 18 HA ALA 18 17.914 -9.800 -0.661 132 1HB ALA 18 1HB ALA 18 15.464 -10.906 -1.779 133 2HB ALA 18 2HB ALA 18 16.533 -11.590 -0.555 134 3HB ALA 18 3HB ALA 18 15.252 -10.476 -0.082 135 H SER 19 H SER 19 16.159 -7.360 -2.113 136 HA SER 19 HA SER 19 16.175 -6.472 -4.303 137 1HB SER 19 1HB SER 19 18.629 -6.991 -3.820 138 2HB SER 19 2HB SER 19 18.398 -8.488 -4.720 139 HG SER 19 HG SER 19 18.919 -7.190 -6.323 140 H ASP 20 H ASP 20 14.051 -7.757 -4.460 141 HA ASP 20 HA ASP 20 12.640 -9.262 -5.625 142 1HB ASP 20 1HB ASP 20 14.863 -8.440 -7.482 143 2HB ASP 20 2HB ASP 20 13.616 -9.553 -8.045 144 H LYS 21 H LYS 21 13.804 -10.831 -3.870 145 HA LYS 21 HA LYS 21 14.638 -13.230 -5.422 146 1HB LYS 21 1HB LYS 21 16.169 -11.767 -3.273 147 2HB LYS 21 2HB LYS 21 16.447 -13.483 -3.572 148 1HG LYS 21 1HG LYS 21 16.481 -12.429 -6.120 149 2HG LYS 21 2HG LYS 21 17.249 -11.155 -5.172 150 1HD LYS 21 1HD LYS 21 18.105 -13.945 -4.592 151 2HD LYS 21 2HD LYS 21 18.624 -13.261 -6.134 152 1HE LYS 21 1HE LYS 21 18.939 -11.371 -3.909 153 2HE LYS 21 2HE LYS 21 19.907 -12.847 -3.712 154 1HZ LYS 21 1HZ LYS 21 20.687 -12.602 -5.986 155 2HZ LYS 21 2HZ LYS 21 19.778 -11.178 -6.169 156 3HZ LYS 21 3HZ LYS 21 21.076 -11.219 -5.078 157 HA PRO 22 HA PRO 22 11.926 -14.969 -2.427 158 1HB PRO 22 1HB PRO 22 12.567 -17.643 -2.883 159 2HB PRO 22 2HB PRO 22 11.399 -16.704 -3.832 160 1HG PRO 22 1HG PRO 22 14.215 -17.399 -4.447 161 2HG PRO 22 2HG PRO 22 12.826 -17.230 -5.532 162 1HD PRO 22 1HD PRO 22 14.757 -15.352 -5.335 163 2HD PRO 22 2HD PRO 22 13.066 -14.954 -5.703 164 H TYR 23 H TYR 23 15.214 -14.820 -2.190 165 HA TYR 23 HA TYR 23 15.164 -15.902 0.580 166 1HB TYR 23 1HB TYR 23 17.231 -17.216 0.072 167 2HB TYR 23 2HB TYR 23 15.836 -17.770 -0.854 168 HD1 TYR 23 HD1 TYR 23 18.684 -15.337 -1.085 169 HD2 TYR 23 HD2 TYR 23 16.031 -17.995 -3.171 170 HE1 TYR 23 HE1 TYR 23 19.915 -14.910 -3.195 171 HE2 TYR 23 HE2 TYR 23 17.262 -17.568 -5.281 172 HH TYR 23 HH TYR 23 19.698 -15.078 -5.516 173 H ILE 24 H ILE 24 17.261 -15.287 1.726 174 HA ILE 24 HA ILE 24 18.455 -12.803 0.550 175 HB ILE 24 HB ILE 24 16.610 -12.849 2.530 176 1HG1 ILE 24 1HG1 ILE 24 17.432 -10.817 1.514 177 2HG1 ILE 24 2HG1 ILE 24 17.591 -10.649 3.263 178 1HG2 ILE 24 1HG2 ILE 24 18.188 -14.222 3.965 179 2HG2 ILE 24 2HG2 ILE 24 19.239 -12.807 4.029 180 3HG2 ILE 24 3HG2 ILE 24 17.613 -12.729 4.708 181 1HD1 ILE 24 1HD1 ILE 24 19.993 -11.720 2.752 182 2HD1 ILE 24 2HD1 ILE 24 19.709 -10.958 1.187 183 3HD1 ILE 24 3HD1 ILE 24 19.708 -9.983 2.655 184 H LEU 25 H LEU 25 20.688 -12.530 0.969 185 HA LEU 25 HA LEU 25 22.126 -14.961 1.833 186 1HB LEU 25 1HB LEU 25 22.858 -12.303 0.587 187 2HB LEU 25 2HB LEU 25 24.081 -13.482 1.061 188 HG LEU 25 HG LEU 25 21.827 -14.552 -0.538 189 1HD1 LEU 25 1HD1 LEU 25 23.812 -12.536 -1.599 190 2HD1 LEU 25 2HD1 LEU 25 23.069 -13.745 -2.648 191 3HD1 LEU 25 3HD1 LEU 25 22.060 -12.563 -1.812 192 1HD2 LEU 25 1HD2 LEU 25 24.077 -15.640 0.304 193 2HD2 LEU 25 2HD2 LEU 25 23.466 -16.027 -1.305 194 3HD2 LEU 25 3HD2 LEU 25 24.762 -14.845 -1.113 195 H ALA 26 H ALA 26 23.655 -14.945 3.572 196 HA ALA 26 HA ALA 26 22.935 -13.483 5.916 197 1HB ALA 26 1HB ALA 26 25.712 -14.415 5.770 198 2HB ALA 26 2HB ALA 26 24.403 -14.965 6.816 199 3HB ALA 26 3HB ALA 26 24.560 -15.616 5.185 200 H GLU 27 H GLU 27 25.479 -12.937 3.480 201 HA GLU 27 HA GLU 27 26.780 -10.752 4.803 202 1HB GLU 27 1HB GLU 27 26.462 -11.530 1.888 203 2HB GLU 27 2HB GLU 27 27.639 -10.366 2.484 204 1HG GLU 27 1HG GLU 27 27.478 -13.216 3.485 205 2HG GLU 27 2HG GLU 27 28.545 -12.709 2.175 206 H GLU 28 H GLU 28 23.996 -10.942 2.609 207 HA GLU 28 HA GLU 28 23.719 -8.160 2.028 208 1HB GLU 28 1HB GLU 28 21.871 -10.544 2.176 209 2HB GLU 28 2HB GLU 28 21.261 -8.951 1.727 210 1HG GLU 28 1HG GLU 28 23.674 -10.128 0.356 211 2HG GLU 28 2HG GLU 28 22.041 -10.525 -0.180 212 H LEU 29 H LEU 29 22.254 -10.152 4.621 213 HA LEU 29 HA LEU 29 20.722 -8.094 5.852 214 1HB LEU 29 1HB LEU 29 22.134 -10.510 7.035 215 2HB LEU 29 2HB LEU 29 20.806 -9.635 7.796 216 HG LEU 29 HG LEU 29 20.735 -11.249 5.239 217 1HD1 LEU 29 1HD1 LEU 29 20.422 -12.327 7.531 218 2HD1 LEU 29 2HD1 LEU 29 18.950 -11.367 7.680 219 3HD1 LEU 29 3HD1 LEU 29 19.098 -12.561 6.389 220 1HD2 LEU 29 1HD2 LEU 29 18.761 -9.230 6.334 221 2HD2 LEU 29 2HD2 LEU 29 19.500 -9.252 4.734 222 3HD2 LEU 29 3HD2 LEU 29 18.305 -10.473 5.170 223 H ARG 30 H ARG 30 24.130 -9.009 6.206 224 HA ARG 30 HA ARG 30 24.700 -7.339 8.486 225 1HB ARG 30 1HB ARG 30 26.311 -8.620 6.270 226 2HB ARG 30 2HB ARG 30 27.076 -7.701 7.567 227 1HG ARG 30 1HG ARG 30 25.096 -9.816 8.312 228 2HG ARG 30 2HG ARG 30 26.704 -10.322 7.794 229 1HD ARG 30 1HD ARG 30 26.709 -8.080 9.722 230 2HD ARG 30 2HD ARG 30 26.099 -9.615 10.371 231 HE ARG 30 HE ARG 30 28.840 -9.102 9.607 232 1HH1 ARG 30 1HH1 ARG 30 26.306 -11.450 9.584 233 2HH1 ARG 30 2HH1 ARG 30 27.387 -12.803 9.592 234 1HH2 ARG 30 1HH2 ARG 30 30.256 -10.860 9.621 235 2HH2 ARG 30 2HH2 ARG 30 29.619 -12.471 9.613 236 H ARG 31 H ARG 31 24.817 -6.793 4.972 237 HA ARG 31 HA ARG 31 25.955 -4.088 5.333 238 1HB ARG 31 1HB ARG 31 26.099 -6.056 3.417 239 2HB ARG 31 2HB ARG 31 24.939 -4.937 2.699 240 1HG ARG 31 1HG ARG 31 26.656 -3.096 3.392 241 2HG ARG 31 2HG ARG 31 27.799 -4.436 3.491 242 1HD ARG 31 1HD ARG 31 27.593 -4.939 1.187 243 2HD ARG 31 2HD ARG 31 26.077 -4.028 1.036 244 HE ARG 31 HE ARG 31 27.847 -2.110 1.898 245 1HH1 ARG 31 1HH1 ARG 31 27.876 -4.479 -0.615 246 2HH1 ARG 31 2HH1 ARG 31 28.862 -3.528 -1.675 247 1HH2 ARG 31 1HH2 ARG 31 29.133 -0.863 0.525 248 2HH2 ARG 31 2HH2 ARG 31 29.574 -1.486 -1.030 249 H GLU 32 H GLU 32 22.840 -5.599 4.634 250 HA GLU 32 HA GLU 32 21.593 -2.992 3.993 251 1HB GLU 32 1HB GLU 32 20.854 -5.901 3.948 252 2HB GLU 32 2HB GLU 32 19.568 -4.694 3.920 253 1HG GLU 32 1HG GLU 32 21.846 -4.238 2.065 254 2HG GLU 32 2HG GLU 32 20.770 -5.580 1.674 255 H LEU 33 H LEU 33 21.927 -5.181 6.703 256 HA LEU 33 HA LEU 33 20.066 -3.435 8.277 257 1HB LEU 33 1HB LEU 33 20.165 -6.323 7.761 258 2HB LEU 33 2HB LEU 33 20.067 -5.932 9.475 259 HG LEU 33 HG LEU 33 18.275 -4.407 7.652 260 1HD1 LEU 33 1HD1 LEU 33 18.195 -6.814 6.866 261 2HD1 LEU 33 2HD1 LEU 33 17.636 -7.250 8.481 262 3HD1 LEU 33 3HD1 LEU 33 16.661 -6.186 7.468 263 1HD2 LEU 33 1HD2 LEU 33 18.596 -4.704 10.387 264 2HD2 LEU 33 2HD2 LEU 33 17.170 -4.031 9.598 265 3HD2 LEU 33 3HD2 LEU 33 17.209 -5.737 10.043 266 HA PRO 34 HA PRO 34 23.452 -2.630 10.950 267 1HB PRO 34 1HB PRO 34 22.005 -3.016 13.376 268 2HB PRO 34 2HB PRO 34 22.328 -1.477 12.560 269 1HG PRO 34 1HG PRO 34 19.903 -3.146 12.537 270 2HG PRO 34 2HG PRO 34 20.081 -1.402 12.299 271 1HD PRO 34 1HD PRO 34 19.511 -3.077 10.272 272 2HD PRO 34 2HD PRO 34 20.496 -1.614 10.046 273 HA PRO 35 HA PRO 35 25.118 -6.620 11.704 274 1HB PRO 35 1HB PRO 35 26.456 -6.110 14.079 275 2HB PRO 35 2HB PRO 35 27.109 -5.773 12.465 276 1HG PRO 35 1HG PRO 35 25.853 -3.930 14.421 277 2HG PRO 35 2HG PRO 35 27.189 -3.647 13.295 278 1HD PRO 35 1HD PRO 35 24.685 -2.727 12.854 279 2HD PRO 35 2HD PRO 35 25.788 -3.185 11.538 280 H ASP 36 H ASP 36 23.485 -4.834 14.301 281 HA ASP 36 HA ASP 36 23.036 -7.053 16.062 282 1HB ASP 36 1HB ASP 36 22.631 -4.334 16.041 283 2HB ASP 36 2HB ASP 36 20.978 -4.943 15.924 284 H GLN 37 H GLN 37 20.960 -5.608 13.520 285 HA GLN 37 HA GLN 37 18.812 -7.511 13.850 286 1HB GLN 37 1HB GLN 37 19.672 -5.391 11.934 287 2HB GLN 37 2HB GLN 37 18.465 -6.545 11.369 288 1HG GLN 37 1HG GLN 37 17.512 -4.475 12.477 289 2HG GLN 37 2HG GLN 37 16.980 -6.002 13.183 290 2HE2 GLN 37 2HE2 GLN 37 17.755 -6.551 15.325 291 1HE2 GLN 37 1HE2 GLN 37 18.585 -5.433 16.295 292 H ALA 38 H ALA 38 21.568 -7.301 11.590 293 HA ALA 38 HA ALA 38 20.940 -9.470 9.893 294 1HB ALA 38 1HB ALA 38 23.264 -7.873 10.711 295 2HB ALA 38 2HB ALA 38 23.696 -9.496 10.176 296 3HB ALA 38 3HB ALA 38 22.795 -8.426 9.103 297 H GLN 39 H GLN 39 22.689 -9.487 13.012 298 HA GLN 39 HA GLN 39 23.399 -12.242 13.043 299 1HB GLN 39 1HB GLN 39 24.101 -10.283 14.547 300 2HB GLN 39 2HB GLN 39 22.602 -10.566 15.432 301 1HG GLN 39 1HG GLN 39 23.292 -12.651 16.209 302 2HG GLN 39 2HG GLN 39 24.440 -12.875 14.890 303 2HE2 GLN 39 2HE2 GLN 39 26.185 -13.288 16.471 304 1HE2 GLN 39 1HE2 GLN 39 26.873 -12.009 17.348 305 H TYR 40 H TYR 40 20.518 -10.618 14.427 306 HA TYR 40 HA TYR 40 19.264 -12.983 15.435 307 1HB TYR 40 1HB TYR 40 18.659 -10.158 14.908 308 2HB TYR 40 2HB TYR 40 17.243 -11.202 14.785 309 HD1 TYR 40 HD1 TYR 40 17.477 -13.230 16.726 310 HD2 TYR 40 HD2 TYR 40 18.834 -9.164 17.001 311 HE1 TYR 40 HE1 TYR 40 17.357 -13.357 19.200 312 HE2 TYR 40 HE2 TYR 40 18.714 -9.290 19.474 313 HH TYR 40 HH TYR 40 18.857 -11.485 21.210 314 H CYS 41 H CYS 41 18.806 -11.242 12.338 315 HA CYS 41 HA CYS 41 16.811 -13.006 11.278 316 1HB CYS 41 1HB CYS 41 18.871 -11.190 9.990 317 2HB CYS 41 2HB CYS 41 17.506 -11.904 9.131 318 HG CYS 41 HG CYS 41 16.441 -10.468 11.533 319 H ILE 42 H ILE 42 20.369 -12.985 10.965 320 HA ILE 42 HA ILE 42 20.526 -15.170 9.099 321 HB ILE 42 HB ILE 42 22.407 -13.903 11.102 322 1HG1 ILE 42 1HG1 ILE 42 22.360 -13.863 8.069 323 2HG1 ILE 42 2HG1 ILE 42 21.639 -12.611 9.081 324 1HG2 ILE 42 1HG2 ILE 42 22.814 -16.235 9.244 325 2HG2 ILE 42 2HG2 ILE 42 24.155 -15.146 9.600 326 3HG2 ILE 42 3HG2 ILE 42 23.367 -16.032 10.906 327 1HD1 ILE 42 1HD1 ILE 42 24.410 -13.281 9.811 328 2HD1 ILE 42 2HD1 ILE 42 24.242 -12.595 8.195 329 3HD1 ILE 42 3HD1 ILE 42 23.654 -11.702 9.598 330 H LYS 43 H LYS 43 20.079 -15.037 12.565 331 HA LYS 43 HA LYS 43 20.918 -17.820 13.015 332 1HB LYS 43 1HB LYS 43 20.803 -15.559 14.520 333 2HB LYS 43 2HB LYS 43 19.297 -16.335 15.008 334 1HG LYS 43 1HG LYS 43 20.670 -18.465 15.354 335 2HG LYS 43 2HG LYS 43 22.103 -17.446 15.201 336 1HD LYS 43 1HD LYS 43 21.858 -17.173 17.449 337 2HD LYS 43 2HD LYS 43 20.627 -15.998 16.983 338 1HE LYS 43 1HE LYS 43 18.956 -17.941 16.997 339 2HE LYS 43 2HE LYS 43 20.218 -18.881 17.818 340 1HZ LYS 43 1HZ LYS 43 20.411 -16.749 19.261 341 2HZ LYS 43 2HZ LYS 43 18.826 -16.453 18.727 342 3HZ LYS 43 3HZ LYS 43 19.183 -17.872 19.592 343 H ARG 44 H ARG 44 17.945 -16.113 12.285 344 HA ARG 44 HA ARG 44 16.266 -18.406 13.123 345 1HB ARG 44 1HB ARG 44 15.939 -15.557 12.340 346 2HB ARG 44 2HB ARG 44 14.587 -16.625 11.963 347 1HG ARG 44 1HG ARG 44 14.440 -15.567 14.245 348 2HG ARG 44 2HG ARG 44 14.415 -17.330 14.273 349 1HD ARG 44 1HD ARG 44 16.940 -17.245 14.650 350 2HD ARG 44 2HD ARG 44 16.744 -15.504 14.936 351 HE ARG 44 HE ARG 44 15.837 -17.636 16.719 352 1HH1 ARG 44 1HH1 ARG 44 15.366 -14.409 15.580 353 2HH1 ARG 44 2HH1 ARG 44 14.572 -13.877 17.025 354 1HH2 ARG 44 1HH2 ARG 44 14.802 -16.955 18.606 355 2HH2 ARG 44 2HH2 ARG 44 14.255 -15.317 18.737 356 H MET 45 H MET 45 16.679 -16.501 10.099 357 HA MET 45 HA MET 45 15.284 -17.849 8.218 358 1HB MET 45 1HB MET 45 17.532 -16.204 8.307 359 2HB MET 45 2HB MET 45 18.074 -17.606 7.384 360 1HG MET 45 1HG MET 45 16.648 -17.181 5.645 361 2HG MET 45 2HG MET 45 15.384 -16.571 6.709 362 1HE MET 45 1HE MET 45 15.246 -14.719 7.809 363 2HE MET 45 2HE MET 45 16.659 -13.756 8.226 364 3HE MET 45 3HE MET 45 15.501 -13.159 7.031 365 HA PRO 46 HA PRO 46 16.672 -22.061 9.130 366 1HB PRO 46 1HB PRO 46 14.521 -22.637 7.155 367 2HB PRO 46 2HB PRO 46 14.787 -23.334 8.765 368 1HG PRO 46 1HG PRO 46 12.838 -21.573 8.310 369 2HG PRO 46 2HG PRO 46 13.733 -21.606 9.838 370 1HD PRO 46 1HD PRO 46 13.937 -19.692 7.572 371 2HD PRO 46 2HD PRO 46 14.136 -19.414 9.316 372 H ALA 47 H ALA 47 16.122 -23.782 6.749 373 HA ALA 47 HA ALA 47 18.421 -22.866 5.090 374 1HB ALA 47 1HB ALA 47 17.827 -25.235 6.289 375 2HB ALA 47 2HB ALA 47 17.131 -25.512 4.692 376 3HB ALA 47 3HB ALA 47 18.842 -25.111 4.850 377 H TYR 48 H TYR 48 17.825 -21.725 3.287 378 HA TYR 48 HA TYR 48 15.357 -21.311 2.145 379 1HB TYR 48 1HB TYR 48 16.585 -20.748 0.139 380 2HB TYR 48 2HB TYR 48 17.623 -20.368 1.513 381 HD1 TYR 48 HD1 TYR 48 17.304 -22.259 -1.523 382 HD2 TYR 48 HD2 TYR 48 19.325 -22.152 2.266 383 HE1 TYR 48 HE1 TYR 48 19.034 -23.802 -2.402 384 HE2 TYR 48 HE2 TYR 48 21.056 -23.693 1.386 385 HH TYR 48 HH TYR 48 21.574 -25.100 -0.307 386 H SER 49 H SER 49 14.206 -22.306 0.344 387 HA SER 49 HA SER 49 14.973 -25.053 -0.446 388 1HB SER 49 1HB SER 49 13.204 -24.457 1.707 389 2HB SER 49 2HB SER 49 12.223 -25.086 0.387 390 HG SER 49 HG SER 49 14.513 -26.270 1.576 391 H GLY 50 H GLY 50 14.737 -22.622 -1.968 392 1HA GLY 50 1HA GLY 50 13.181 -21.565 -3.537 393 2HA GLY 50 2HA GLY 50 12.188 -23.021 -3.469 394 HA PRO 51 HA PRO 51 14.690 -24.132 -6.935 395 1HB PRO 51 1HB PRO 51 13.588 -22.732 -9.066 396 2HB PRO 51 2HB PRO 51 12.834 -24.136 -8.285 397 1HG PRO 51 1HG PRO 51 12.274 -21.244 -7.928 398 2HG PRO 51 2HG PRO 51 11.165 -22.624 -7.908 399 1HD PRO 51 1HD PRO 51 11.969 -21.373 -5.656 400 2HD PRO 51 2HD PRO 51 11.590 -23.108 -5.705 401 H GLY 52 H GLY 52 16.245 -23.521 -8.692 402 1HA GLY 52 1HA GLY 52 17.060 -20.938 -9.380 403 2HA GLY 52 2HA GLY 52 18.164 -22.314 -9.316 404 H SER 53 H SER 53 17.509 -22.605 -6.361 405 HA SER 53 HA SER 53 18.130 -20.349 -4.866 406 1HB SER 53 1HB SER 53 19.213 -23.056 -4.176 407 2HB SER 53 2HB SER 53 18.410 -21.888 -3.131 408 HG SER 53 HG SER 53 17.339 -23.932 -4.390 409 H VAL 54 H VAL 54 20.472 -21.015 -3.428 410 HA VAL 54 HA VAL 54 22.721 -21.156 -5.332 411 HB VAL 54 HB VAL 54 23.524 -18.884 -4.537 412 1HG1 VAL 54 1HG1 VAL 54 22.328 -19.293 -6.722 413 2HG1 VAL 54 2HG1 VAL 54 20.827 -18.832 -5.920 414 3HG1 VAL 54 3HG1 VAL 54 22.133 -17.659 -6.088 415 1HG2 VAL 54 1HG2 VAL 54 21.179 -19.209 -2.878 416 2HG2 VAL 54 2HG2 VAL 54 22.421 -17.960 -2.802 417 3HG2 VAL 54 3HG2 VAL 54 21.025 -17.751 -3.859 418 HA PRO 55 HA PRO 55 24.752 -22.303 -1.607 419 1HB PRO 55 1HB PRO 55 27.309 -21.229 -1.941 420 2HB PRO 55 2HB PRO 55 26.722 -22.722 -2.696 421 1HG PRO 55 1HG PRO 55 26.979 -20.000 -3.835 422 2HG PRO 55 2HG PRO 55 27.185 -21.577 -4.611 423 1HD PRO 55 1HD PRO 55 24.995 -20.046 -4.987 424 2HD PRO 55 2HD PRO 55 24.937 -21.822 -5.013 425 H GLY 56 H GLY 56 23.926 -21.256 0.209 426 1HA GLY 56 1HA GLY 56 25.278 -18.710 0.991 427 2HA GLY 56 2HA GLY 56 24.635 -19.888 2.137 428 H ALA 57 H ALA 57 22.250 -20.140 0.179 429 HA ALA 57 HA ALA 57 20.922 -17.518 0.535 430 1HB ALA 57 1HB ALA 57 19.133 -19.376 -0.533 431 2HB ALA 57 2HB ALA 57 20.151 -18.273 -1.458 432 3HB ALA 57 3HB ALA 57 20.705 -19.913 -1.126 433 H LEU 58 H LEU 58 19.256 -17.169 2.005 434 HA LEU 58 HA LEU 58 18.426 -19.486 3.724 435 1HB LEU 58 1HB LEU 58 18.880 -16.607 4.570 436 2HB LEU 58 2HB LEU 58 18.582 -17.988 5.626 437 HG LEU 58 HG LEU 58 20.939 -17.936 3.744 438 1HD1 LEU 58 1HD1 LEU 58 20.758 -15.946 5.456 439 2HD1 LEU 58 2HD1 LEU 58 21.177 -17.182 6.643 440 3HD1 LEU 58 3HD1 LEU 58 22.275 -16.832 5.308 441 1HD2 LEU 58 1HD2 LEU 58 20.243 -20.087 4.775 442 2HD2 LEU 58 2HD2 LEU 58 21.824 -19.566 5.358 443 3HD2 LEU 58 3HD2 LEU 58 20.396 -19.356 6.372 444 H ASP 59 H ASP 59 16.221 -19.317 4.541 445 HA ASP 59 HA ASP 59 14.507 -17.542 2.852 446 1HB ASP 59 1HB ASP 59 14.360 -20.257 4.021 447 2HB ASP 59 2HB ASP 59 12.849 -19.345 4.065 448 H TYR 60 H TYR 60 14.037 -15.668 3.944 449 HA TYR 60 HA TYR 60 13.886 -15.526 6.866 450 1HB TYR 60 1HB TYR 60 13.343 -13.152 6.314 451 2HB TYR 60 2HB TYR 60 14.767 -13.716 5.439 452 HD1 TYR 60 HD1 TYR 60 14.840 -13.667 3.087 453 HD2 TYR 60 HD2 TYR 60 11.068 -13.293 5.110 454 HE1 TYR 60 HE1 TYR 60 13.733 -13.158 0.928 455 HE2 TYR 60 HE2 TYR 60 9.961 -12.783 2.949 456 HH TYR 60 HH TYR 60 11.569 -13.200 -0.082 457 H ALA 61 H ALA 61 11.689 -16.076 4.220 458 HA ALA 61 HA ALA 61 9.232 -15.144 5.261 459 1HB ALA 61 1HB ALA 61 9.858 -17.656 3.674 460 2HB ALA 61 2HB ALA 61 8.283 -16.868 3.760 461 3HB ALA 61 3HB ALA 61 9.640 -16.047 2.989 462 H ALA 62 H ALA 62 11.008 -18.156 5.920 463 HA ALA 62 HA ALA 62 8.977 -19.423 7.498 464 1HB ALA 62 1HB ALA 62 10.843 -20.660 6.594 465 2HB ALA 62 2HB ALA 62 11.999 -19.600 7.400 466 3HB ALA 62 3HB ALA 62 11.003 -20.705 8.349 467 H PHE 63 H PHE 63 11.497 -17.098 8.234 468 HA PHE 63 HA PHE 63 11.232 -17.217 11.118 469 1HB PHE 63 1HB PHE 63 13.223 -16.404 9.878 470 2HB PHE 63 2HB PHE 63 12.273 -15.056 9.253 471 HD1 PHE 63 HD1 PHE 63 14.174 -13.692 10.364 472 HD2 PHE 63 HD2 PHE 63 11.312 -16.009 12.578 473 HE1 PHE 63 HE1 PHE 63 14.690 -12.381 12.405 474 HE2 PHE 63 HE2 PHE 63 11.828 -14.697 14.618 475 HZ PHE 63 HZ PHE 63 13.518 -12.883 14.531 476 H SER 64 H SER 64 9.761 -15.258 8.548 477 HA SER 64 HA SER 64 8.487 -13.279 10.133 478 1HB SER 64 1HB SER 64 8.267 -12.814 7.903 479 2HB SER 64 2HB SER 64 8.233 -14.517 7.458 480 HG SER 64 HG SER 64 6.186 -12.782 7.923 481 H SER 65 H SER 65 7.212 -16.442 9.020 482 HA SER 65 HA SER 65 4.694 -16.252 10.377 483 1HB SER 65 1HB SER 65 6.360 -18.669 9.601 484 2HB SER 65 2HB SER 65 4.627 -18.674 9.918 485 HG SER 65 HG SER 65 4.690 -16.908 8.202 486 H ALA 66 H ALA 66 7.866 -17.513 11.373 487 HA ALA 66 HA ALA 66 6.967 -18.655 13.874 488 1HB ALA 66 1HB ALA 66 9.358 -18.840 14.287 489 2HB ALA 66 2HB ALA 66 9.067 -19.185 12.582 490 3HB ALA 66 3HB ALA 66 9.702 -17.613 13.068 491 H LEU 67 H LEU 67 8.166 -15.462 12.898 492 HA LEU 67 HA LEU 67 8.604 -14.347 15.487 493 1HB LEU 67 1HB LEU 67 8.481 -13.562 12.727 494 2HB LEU 67 2HB LEU 67 7.579 -12.387 13.684 495 HG LEU 67 HG LEU 67 10.253 -13.306 14.680 496 1HD1 LEU 67 1HD1 LEU 67 10.193 -12.532 12.128 497 2HD1 LEU 67 2HD1 LEU 67 10.124 -10.931 12.866 498 3HD1 LEU 67 3HD1 LEU 67 11.480 -12.003 13.213 499 1HD2 LEU 67 1HD2 LEU 67 8.535 -11.728 15.848 500 2HD2 LEU 67 2HD2 LEU 67 10.231 -11.240 15.814 501 3HD2 LEU 67 3HD2 LEU 67 9.084 -10.526 14.680 502 H TYR 68 H TYR 68 5.686 -14.385 13.422 503 HA TYR 68 HA TYR 68 4.089 -13.263 15.676 504 1HB TYR 68 1HB TYR 68 3.836 -13.537 12.697 505 2HB TYR 68 2HB TYR 68 2.370 -13.336 13.659 506 HD1 TYR 68 HD1 TYR 68 5.176 -11.673 12.162 507 HD2 TYR 68 HD2 TYR 68 2.296 -11.377 15.335 508 HE1 TYR 68 HE1 TYR 68 5.623 -9.240 12.341 509 HE2 TYR 68 HE2 TYR 68 2.744 -8.945 15.516 510 HH TYR 68 HH TYR 68 3.625 -7.119 13.956 511 H GLY 69 H GLY 69 5.068 -16.250 14.721 512 1HA GLY 69 1HA GLY 69 4.156 -18.418 14.863 513 2HA GLY 69 2HA GLY 69 2.553 -17.698 14.710 514 H GLU 70 H GLU 70 3.978 -19.683 16.677 515 HA GLU 70 HA GLU 70 3.830 -20.174 18.985 516 1HB GLU 70 1HB GLU 70 5.122 -17.938 18.908 517 2HB GLU 70 2HB GLU 70 3.592 -17.183 19.355 518 1HG GLU 70 1HG GLU 70 3.567 -18.150 21.460 519 2HG GLU 70 2HG GLU 70 4.532 -19.536 20.947 520 H SER 71 H SER 71 1.552 -20.853 18.082 521 HA SER 71 HA SER 71 -0.461 -19.889 19.961 522 1HB SER 71 1HB SER 71 -0.820 -18.083 18.540 523 2HB SER 71 2HB SER 71 -0.331 -18.983 17.107 524 HG SER 71 HG SER 71 -2.783 -18.614 18.128 525 H ASP 72 H ASP 72 -2.708 -20.917 19.185 526 HA ASP 72 HA ASP 72 -2.097 -23.739 18.432 527 1HB ASP 72 1HB ASP 72 -4.253 -24.178 19.534 528 2HB ASP 72 2HB ASP 72 -3.227 -23.200 20.585 529 H LEU 73 H LEU 73 -2.814 -24.529 16.482 530 HA LEU 73 HA LEU 73 -3.852 -24.560 14.358 531 1HB LEU 73 1HB LEU 73 -5.714 -24.407 16.322 532 2HB LEU 73 2HB LEU 73 -6.103 -22.938 15.425 533 HG LEU 73 HG LEU 73 -5.807 -24.665 13.363 534 1HD1 LEU 73 1HD1 LEU 73 -6.251 -26.269 15.808 535 2HD1 LEU 73 2HD1 LEU 73 -7.335 -26.643 14.469 536 3HD1 LEU 73 3HD1 LEU 73 -5.590 -26.756 14.247 537 1HD2 LEU 73 1HD2 LEU 73 -7.901 -23.317 14.673 538 2HD2 LEU 73 2HD2 LEU 73 -7.957 -24.045 13.067 539 3HD2 LEU 73 3HD2 LEU 73 -8.472 -24.975 14.474 540 H GLY 7 H GLY 7 12.124 1.406 -5.025 541 1HA GLY 7 1HA GLY 7 11.612 3.606 -4.214 542 2HA GLY 7 2HA GLY 7 13.364 3.556 -4.008 543 H LYS 8 H LYS 8 11.066 1.599 -2.169 544 HA LYS 8 HA LYS 8 11.487 3.331 0.227 545 1HB LYS 8 1HB LYS 8 9.515 2.210 1.063 546 2HB LYS 8 2HB LYS 8 9.201 2.628 -0.622 547 1HG LYS 8 1HG LYS 8 9.854 0.341 -1.305 548 2HG LYS 8 2HG LYS 8 10.134 -0.077 0.386 549 1HD LYS 8 1HD LYS 8 7.926 -0.854 -0.171 550 2HD LYS 8 2HD LYS 8 7.729 0.575 0.843 551 1HE LYS 8 1HE LYS 8 6.303 1.214 -0.853 552 2HE LYS 8 2HE LYS 8 7.814 1.737 -1.624 553 1HZ LYS 8 1HZ LYS 8 6.607 -0.967 -1.875 554 2HZ LYS 8 2HZ LYS 8 6.551 0.241 -3.068 555 3HZ LYS 8 3HZ LYS 8 8.039 -0.445 -2.619 556 H LYS 9 H LYS 9 13.666 1.625 -0.711 557 HA LYS 9 HA LYS 9 13.849 -0.885 0.598 558 1HB LYS 9 1HB LYS 9 15.378 0.413 -1.100 559 2HB LYS 9 2HB LYS 9 16.163 1.026 0.356 560 1HG LYS 9 1HG LYS 9 16.351 -1.407 1.114 561 2HG LYS 9 2HG LYS 9 15.888 -1.853 -0.528 562 1HD LYS 9 1HD LYS 9 18.209 -0.013 0.102 563 2HD LYS 9 2HD LYS 9 18.386 -1.752 -0.133 564 1HE LYS 9 1HE LYS 9 18.187 -1.569 -2.395 565 2HE LYS 9 2HE LYS 9 16.835 -0.427 -2.264 566 1HZ LYS 9 1HZ LYS 9 19.583 0.353 -1.508 567 2HZ LYS 9 2HZ LYS 9 19.053 0.476 -3.117 568 3HZ LYS 9 3HZ LYS 9 18.268 1.353 -1.893 569 H ALA 10 H ALA 10 14.878 2.350 1.757 570 HA ALA 10 HA ALA 10 15.830 1.590 4.311 571 1HB ALA 10 1HB ALA 10 15.006 4.009 4.841 572 2HB ALA 10 2HB ALA 10 16.207 3.803 3.565 573 3HB ALA 10 3HB ALA 10 14.510 4.043 3.148 574 H GLU 11 H GLU 11 12.531 2.131 3.150 575 HA GLU 11 HA GLU 11 11.228 2.096 5.719 576 1HB GLU 11 1HB GLU 11 10.606 2.373 2.966 577 2HB GLU 11 2HB GLU 11 9.618 1.041 3.566 578 1HG GLU 11 1HG GLU 11 9.712 3.273 5.445 579 2HG GLU 11 2HG GLU 11 9.060 3.749 3.878 580 H ALA 12 H ALA 12 11.992 -0.442 3.332 581 HA ALA 12 HA ALA 12 10.633 -2.600 4.630 582 1HB ALA 12 1HB ALA 12 11.398 -2.777 2.356 583 2HB ALA 12 2HB ALA 12 13.055 -2.394 2.821 584 3HB ALA 12 3HB ALA 12 12.343 -3.939 3.285 585 H VAL 13 H VAL 13 13.976 -1.377 4.929 586 HA VAL 13 HA VAL 13 14.967 -3.340 6.736 587 HB VAL 13 HB VAL 13 15.574 -0.373 6.466 588 1HG1 VAL 13 1HG1 VAL 13 17.029 -2.670 7.789 589 2HG1 VAL 13 2HG1 VAL 13 17.874 -1.212 7.266 590 3HG1 VAL 13 3HG1 VAL 13 16.601 -1.105 8.481 591 1HG2 VAL 13 1HG2 VAL 13 16.491 -2.848 5.006 592 2HG2 VAL 13 2HG2 VAL 13 15.933 -1.316 4.335 593 3HG2 VAL 13 3HG2 VAL 13 17.523 -1.421 5.090 594 H ALA 14 H ALA 14 13.214 -0.292 7.310 595 HA ALA 14 HA ALA 14 13.360 -0.228 10.149 596 1HB ALA 14 1HB ALA 14 12.566 1.606 8.711 597 2HB ALA 14 2HB ALA 14 11.176 0.637 8.221 598 3HB ALA 14 3HB ALA 14 11.322 1.190 9.889 599 H THR 15 H THR 15 11.040 -1.838 7.972 600 HA THR 15 HA THR 15 9.255 -2.821 9.980 601 HB THR 15 HB THR 15 9.877 -4.341 7.469 602 HG1 THR 15 HG1 THR 15 8.626 -2.640 6.398 603 1HG2 THR 15 1HG2 THR 15 7.949 -4.853 9.031 604 2HG2 THR 15 2HG2 THR 15 7.264 -3.293 8.577 605 3HG2 THR 15 3HG2 THR 15 7.487 -4.546 7.357 606 H VAL 16 H VAL 16 12.119 -4.316 8.438 607 HA VAL 16 HA VAL 16 11.976 -6.817 9.833 608 HB VAL 16 HB VAL 16 14.293 -5.247 8.657 609 1HG1 VAL 16 1HG1 VAL 16 14.702 -7.249 10.329 610 2HG1 VAL 16 2HG1 VAL 16 14.233 -8.234 8.943 611 3HG1 VAL 16 3HG1 VAL 16 15.622 -7.152 8.828 612 1HG2 VAL 16 1HG2 VAL 16 12.042 -6.461 7.459 613 2HG2 VAL 16 2HG2 VAL 16 13.496 -5.883 6.645 614 3HG2 VAL 16 3HG2 VAL 16 13.390 -7.562 7.174 615 H VAL 17 H VAL 17 13.708 -3.777 10.558 616 HA VAL 17 HA VAL 17 15.083 -4.667 12.894 617 HB VAL 17 HB VAL 17 13.946 -1.922 12.269 618 1HG1 VAL 17 1HG1 VAL 17 16.392 -2.821 13.826 619 2HG1 VAL 17 2HG1 VAL 17 15.932 -1.145 13.521 620 3HG1 VAL 17 3HG1 VAL 17 14.909 -2.172 14.526 621 1HG2 VAL 17 1HG2 VAL 17 15.591 -3.459 10.635 622 2HG2 VAL 17 2HG2 VAL 17 15.446 -1.702 10.586 623 3HG2 VAL 17 3HG2 VAL 17 16.730 -2.454 11.531 624 H ALA 18 H ALA 18 11.920 -3.013 12.561 625 HA ALA 18 HA ALA 18 11.267 -2.978 15.345 626 1HB ALA 18 1HB ALA 18 9.967 -2.611 12.718 627 2HB ALA 18 2HB ALA 18 9.823 -1.643 14.185 628 3HB ALA 18 3HB ALA 18 8.870 -3.116 14.004 629 H ALA 19 H ALA 19 10.442 -5.328 12.771 630 HA ALA 19 HA ALA 19 8.921 -7.108 14.423 631 1HB ALA 19 1HB ALA 19 8.952 -7.031 11.937 632 2HB ALA 19 2HB ALA 19 10.610 -7.635 11.953 633 3HB ALA 19 3HB ALA 19 9.293 -8.653 12.537 634 H VAL 20 H VAL 20 12.377 -7.129 13.483 635 HA VAL 20 HA VAL 20 13.098 -9.519 14.876 636 HB VAL 20 HB VAL 20 14.575 -7.008 14.047 637 1HG1 VAL 20 1HG1 VAL 20 15.465 -9.319 15.667 638 2HG1 VAL 20 2HG1 VAL 20 16.513 -8.909 14.309 639 3HG1 VAL 20 3HG1 VAL 20 16.154 -7.700 15.541 640 1HG2 VAL 20 1HG2 VAL 20 13.526 -8.979 12.513 641 2HG2 VAL 20 2HG2 VAL 20 15.002 -8.115 12.084 642 3HG2 VAL 20 3HG2 VAL 20 15.100 -9.688 12.874 643 H ASP 21 H ASP 21 13.124 -6.093 15.889 644 HA ASP 21 HA ASP 21 14.282 -6.432 18.463 645 1HB ASP 21 1HB ASP 21 12.918 -4.444 16.893 646 2HB ASP 21 2HB ASP 21 12.279 -4.409 18.537 647 H GLN 22 H GLN 22 10.924 -6.785 17.351 648 HA GLN 22 HA GLN 22 9.675 -7.050 19.909 649 1HB GLN 22 1HB GLN 22 8.995 -7.079 17.203 650 2HB GLN 22 2HB GLN 22 8.563 -8.696 17.760 651 1HG GLN 22 1HG GLN 22 7.330 -7.636 19.676 652 2HG GLN 22 2HG GLN 22 7.640 -6.063 18.943 653 2HE2 GLN 22 2HE2 GLN 22 5.689 -5.419 17.996 654 1HE2 GLN 22 1HE2 GLN 22 4.729 -6.400 16.999 655 H ALA 23 H ALA 23 11.049 -9.498 17.692 656 HA ALA 23 HA ALA 23 10.401 -11.801 19.258 657 1HB ALA 23 1HB ALA 23 11.286 -12.699 17.384 658 2HB ALA 23 2HB ALA 23 11.790 -11.086 16.876 659 3HB ALA 23 3HB ALA 23 12.880 -12.091 17.831 660 H ARG 24 H ARG 24 13.155 -9.566 19.348 661 HA ARG 24 HA ARG 24 14.811 -11.102 21.130 662 1HB ARG 24 1HB ARG 24 15.677 -9.299 19.766 663 2HB ARG 24 2HB ARG 24 14.557 -8.148 20.494 664 1HG ARG 24 1HG ARG 24 15.691 -8.833 22.742 665 2HG ARG 24 2HG ARG 24 16.989 -9.436 21.712 666 1HD ARG 24 1HD ARG 24 17.299 -7.236 20.713 667 2HD ARG 24 2HD ARG 24 15.897 -6.602 21.597 668 HE ARG 24 HE ARG 24 17.821 -7.841 23.382 669 1HH1 ARG 24 1HH1 ARG 24 17.057 -5.010 21.556 670 2HH1 ARG 24 2HH1 ARG 24 17.920 -3.942 22.610 671 1HH2 ARG 24 1HH2 ARG 24 18.949 -6.454 24.763 672 2HH2 ARG 24 2HH2 ARG 24 18.987 -4.756 24.421 673 H VAL 25 H VAL 25 12.308 -8.627 21.689 674 HA VAL 25 HA VAL 25 12.727 -8.581 24.576 675 HB VAL 25 HB VAL 25 10.703 -7.485 22.624 676 1HG1 VAL 25 1HG1 VAL 25 9.553 -8.086 24.762 677 2HG1 VAL 25 2HG1 VAL 25 10.709 -7.077 25.630 678 3HG1 VAL 25 3HG1 VAL 25 9.595 -6.347 24.475 679 1HG2 VAL 25 1HG2 VAL 25 13.129 -6.571 23.115 680 2HG2 VAL 25 2HG2 VAL 25 11.779 -5.444 22.978 681 3HG2 VAL 25 3HG2 VAL 25 12.374 -5.920 24.569 682 H ARG 26 H ARG 26 10.867 -10.491 22.361 683 HA ARG 26 HA ARG 26 9.180 -11.571 24.577 684 1HB ARG 26 1HB ARG 26 8.279 -10.698 22.333 685 2HB ARG 26 2HB ARG 26 8.996 -12.140 21.610 686 1HG ARG 26 1HG ARG 26 7.552 -13.588 22.737 687 2HG ARG 26 2HG ARG 26 7.216 -12.419 24.014 688 1HD ARG 26 1HD ARG 26 5.276 -12.043 22.861 689 2HD ARG 26 2HD ARG 26 6.302 -11.098 21.762 690 HE ARG 26 HE ARG 26 6.617 -13.754 20.946 691 1HH1 ARG 26 1HH1 ARG 26 4.036 -11.494 21.357 692 2HH1 ARG 26 2HH1 ARG 26 3.060 -12.186 20.104 693 1HH2 ARG 26 1HH2 ARG 26 5.351 -14.661 19.309 694 2HH2 ARG 26 2HH2 ARG 26 3.802 -13.973 18.947 695 H GLU 27 H GLU 27 12.136 -12.202 23.944 696 HA GLU 27 HA GLU 27 11.942 -15.091 23.256 697 1HB GLU 27 1HB GLU 27 13.638 -13.193 22.437 698 2HB GLU 27 2HB GLU 27 14.498 -13.674 23.900 699 1HG GLU 27 1HG GLU 27 14.620 -15.968 23.161 700 2HG GLU 27 2HG GLU 27 13.555 -15.638 21.795 701 HA PRO 28 HA PRO 28 12.625 -15.941 27.540 702 1HB PRO 28 1HB PRO 28 12.745 -18.703 27.323 703 2HB PRO 28 2HB PRO 28 11.241 -17.764 27.332 704 1HG PRO 28 1HG PRO 28 12.727 -18.934 25.047 705 2HG PRO 28 2HG PRO 28 10.983 -18.761 25.294 706 1HD PRO 28 1HD PRO 28 12.400 -17.150 23.646 707 2HD PRO 28 2HD PRO 28 10.953 -16.604 24.518 708 H ARG 29 H ARG 29 14.684 -15.363 28.237 709 HA ARG 29 HA ARG 29 16.944 -17.198 27.498 710 1HB ARG 29 1HB ARG 29 18.351 -15.153 27.794 711 2HB ARG 29 2HB ARG 29 17.136 -14.953 26.531 712 1HG ARG 29 1HG ARG 29 15.677 -13.748 28.072 713 2HG ARG 29 2HG ARG 29 16.806 -14.025 29.399 714 1HD ARG 29 1HD ARG 29 17.494 -12.491 26.865 715 2HD ARG 29 2HD ARG 29 17.066 -11.739 28.413 716 HE ARG 29 HE ARG 29 19.584 -13.108 27.819 717 1HH1 ARG 29 1HH1 ARG 29 17.287 -12.155 30.217 718 2HH1 ARG 29 2HH1 ARG 29 18.439 -12.171 31.510 719 1HH2 ARG 29 1HH2 ARG 29 21.093 -13.129 29.497 720 2HH2 ARG 29 2HH2 ARG 29 20.591 -12.721 31.103 No H/Q in entry = 720 Start of MODEL 14 1 H MET 1 H MET 1 -1.486 -11.972 -5.714 2 HA MET 1 HA MET 1 -1.969 -9.892 -6.778 3 1HB MET 1 1HB MET 1 -4.053 -11.153 -6.831 4 2HB MET 1 2HB MET 1 -4.451 -10.631 -5.194 5 1HG MET 1 1HG MET 1 -4.906 -8.436 -5.863 6 2HG MET 1 2HG MET 1 -3.941 -8.580 -7.333 7 1HE MET 1 1HE MET 1 -7.167 -9.314 -5.464 8 2HE MET 1 2HE MET 1 -7.220 -7.814 -6.388 9 3HE MET 1 3HE MET 1 -8.325 -9.139 -6.781 10 H ALA 2 H ALA 2 -3.983 -9.323 -3.916 11 HA ALA 2 HA ALA 2 -2.162 -7.082 -3.118 12 1HB ALA 2 1HB ALA 2 -3.899 -6.105 -4.455 13 2HB ALA 2 2HB ALA 2 -5.140 -7.076 -3.665 14 3HB ALA 2 3HB ALA 2 -4.338 -5.782 -2.778 15 H ASP 3 H ASP 3 -1.688 -8.959 -1.504 16 HA ASP 3 HA ASP 3 -3.714 -8.925 0.711 17 1HB ASP 3 1HB ASP 3 -3.393 -11.114 -0.344 18 2HB ASP 3 2HB ASP 3 -1.648 -10.989 -0.121 19 H THR 4 H THR 4 -3.011 -8.039 2.624 20 HA THR 4 HA THR 4 -0.161 -8.091 3.369 21 HB THR 4 HB THR 4 -0.353 -6.200 1.785 22 HG1 THR 4 HG1 THR 4 1.005 -6.021 3.636 23 1HG2 THR 4 1HG2 THR 4 -2.875 -5.902 2.916 24 2HG2 THR 4 2HG2 THR 4 -1.978 -4.508 3.519 25 3HG2 THR 4 3HG2 THR 4 -2.109 -4.787 1.783 26 H ASP 5 H ASP 5 0.020 -8.029 5.600 27 HA ASP 5 HA ASP 5 -2.094 -6.794 7.252 28 1HB ASP 5 1HB ASP 5 -1.693 -9.729 6.814 29 2HB ASP 5 2HB ASP 5 -2.153 -9.191 8.429 30 H THR 6 H THR 6 0.114 -9.446 8.081 31 HA THR 6 HA THR 6 1.801 -7.503 9.621 32 HB THR 6 HB THR 6 1.745 -9.846 11.109 33 HG1 THR 6 HG1 THR 6 -0.427 -10.401 11.211 34 1HG2 THR 6 1HG2 THR 6 0.193 -7.264 11.269 35 2HG2 THR 6 2HG2 THR 6 0.063 -8.498 12.523 36 3HG2 THR 6 3HG2 THR 6 1.621 -7.744 12.186 37 H ALA 7 H ALA 7 1.660 -10.995 8.789 38 HA ALA 7 HA ALA 7 4.519 -11.334 8.719 39 1HB ALA 7 1HB ALA 7 2.045 -12.819 8.034 40 2HB ALA 7 2HB ALA 7 3.495 -13.341 7.178 41 3HB ALA 7 3HB ALA 7 3.458 -13.355 8.941 42 H GLU 8 H GLU 8 2.076 -10.847 6.159 43 HA GLU 8 HA GLU 8 3.742 -11.003 3.887 44 1HB GLU 8 1HB GLU 8 1.126 -10.518 4.403 45 2HB GLU 8 2HB GLU 8 1.653 -8.885 3.990 46 1HG GLU 8 1HG GLU 8 2.024 -11.367 2.287 47 2HG GLU 8 2HG GLU 8 0.902 -10.044 1.967 48 H GLN 9 H GLN 9 3.213 -8.323 6.153 49 HA GLN 9 HA GLN 9 4.528 -6.255 4.699 50 1HB GLN 9 1HB GLN 9 3.107 -6.293 6.891 51 2HB GLN 9 2HB GLN 9 4.650 -6.583 7.694 52 1HG GLN 9 1HG GLN 9 5.577 -4.537 6.714 53 2HG GLN 9 2HG GLN 9 4.073 -4.256 5.837 54 2HE2 GLN 9 2HE2 GLN 9 3.985 -2.157 7.104 55 1HE2 GLN 9 1HE2 GLN 9 3.377 -2.189 8.688 56 H VAL 10 H VAL 10 5.825 -8.597 7.085 57 HA VAL 10 HA VAL 10 8.530 -7.644 7.025 58 HB VAL 10 HB VAL 10 7.393 -10.417 7.533 59 1HG1 VAL 10 1HG1 VAL 10 10.086 -9.231 7.729 60 2HG1 VAL 10 2HG1 VAL 10 9.558 -10.071 9.187 61 3HG1 VAL 10 3HG1 VAL 10 9.606 -10.926 7.645 62 1HG2 VAL 10 1HG2 VAL 10 6.512 -8.342 8.852 63 2HG2 VAL 10 2HG2 VAL 10 7.031 -9.760 9.764 64 3HG2 VAL 10 3HG2 VAL 10 8.099 -8.362 9.621 65 H ILE 11 H ILE 11 6.850 -10.192 5.170 66 HA ILE 11 HA ILE 11 9.083 -11.110 3.651 67 HB ILE 11 HB ILE 11 6.108 -10.927 3.068 68 1HG1 ILE 11 1HG1 ILE 11 7.824 -13.247 4.010 69 2HG1 ILE 11 2HG1 ILE 11 6.822 -12.255 5.071 70 1HG2 ILE 11 1HG2 ILE 11 8.052 -11.389 1.192 71 2HG2 ILE 11 2HG2 ILE 11 7.719 -13.025 1.759 72 3HG2 ILE 11 3HG2 ILE 11 6.413 -12.035 1.104 73 1HD1 ILE 11 1HD1 ILE 11 5.489 -13.396 2.668 74 2HD1 ILE 11 2HD1 ILE 11 5.920 -14.533 3.948 75 3HD1 ILE 11 3HD1 ILE 11 4.861 -13.166 4.300 76 H ALA 12 H ALA 12 6.652 -8.574 2.961 77 HA ALA 12 HA ALA 12 7.606 -7.783 0.403 78 1HB ALA 12 1HB ALA 12 5.526 -6.929 1.150 79 2HB ALA 12 2HB ALA 12 6.193 -6.429 2.704 80 3HB ALA 12 3HB ALA 12 6.590 -5.525 1.243 81 H SER 13 H SER 13 8.559 -6.764 3.679 82 HA SER 13 HA SER 13 10.520 -4.815 2.843 83 1HB SER 13 1HB SER 13 10.557 -6.454 5.385 84 2HB SER 13 2HB SER 13 11.040 -4.775 5.166 85 HG SER 13 HG SER 13 8.861 -5.317 6.122 86 H PHE 14 H PHE 14 10.633 -8.283 3.642 87 HA PHE 14 HA PHE 14 13.501 -8.576 3.412 88 1HB PHE 14 1HB PHE 14 11.057 -10.241 3.630 89 2HB PHE 14 2HB PHE 14 12.433 -11.032 2.860 90 HD1 PHE 14 HD1 PHE 14 10.909 -10.364 5.951 91 HD2 PHE 14 HD2 PHE 14 14.772 -10.564 4.084 92 HE1 PHE 14 HE1 PHE 14 11.963 -10.703 8.170 93 HE2 PHE 14 HE2 PHE 14 15.827 -10.903 6.303 94 HZ PHE 14 HZ PHE 14 14.423 -10.973 8.346 95 H ARG 15 H ARG 15 10.786 -9.036 1.138 96 HA ARG 15 HA ARG 15 12.172 -10.086 -1.081 97 1HB ARG 15 1HB ARG 15 9.641 -9.220 -0.482 98 2HB ARG 15 2HB ARG 15 10.164 -7.976 -1.618 99 1HG ARG 15 1HG ARG 15 9.853 -9.389 -3.339 100 2HG ARG 15 2HG ARG 15 10.990 -10.532 -2.623 101 1HD ARG 15 1HD ARG 15 9.292 -11.721 -1.508 102 2HD ARG 15 2HD ARG 15 8.155 -10.361 -1.596 103 HE ARG 15 HE ARG 15 8.697 -10.919 -4.250 104 1HH1 ARG 15 1HH1 ARG 15 7.653 -12.738 -1.505 105 2HH1 ARG 15 2HH1 ARG 15 6.727 -13.862 -2.441 106 1HH2 ARG 15 1HH2 ARG 15 7.492 -12.381 -5.479 107 2HH2 ARG 15 2HH2 ARG 15 6.634 -13.660 -4.686 108 H ILE 16 H ILE 16 11.693 -6.670 -0.144 109 HA ILE 16 HA ILE 16 13.122 -5.490 -2.323 110 HB ILE 16 HB ILE 16 12.512 -4.691 0.534 111 1HG1 ILE 16 1HG1 ILE 16 11.433 -3.741 -2.140 112 2HG1 ILE 16 2HG1 ILE 16 10.630 -4.907 -1.087 113 1HG2 ILE 16 1HG2 ILE 16 13.882 -3.110 -1.655 114 2HG2 ILE 16 2HG2 ILE 16 13.120 -2.357 -0.255 115 3HG2 ILE 16 3HG2 ILE 16 14.489 -3.445 -0.033 116 1HD1 ILE 16 1HD1 ILE 16 11.383 -2.095 -0.240 117 2HD1 ILE 16 2HD1 ILE 16 9.779 -2.561 -0.807 118 3HD1 ILE 16 3HD1 ILE 16 10.425 -3.256 0.680 119 H LEU 17 H LEU 17 14.179 -6.587 0.902 120 HA LEU 17 HA LEU 17 16.900 -5.702 0.710 121 1HB LEU 17 1HB LEU 17 15.182 -7.385 2.386 122 2HB LEU 17 2HB LEU 17 16.847 -7.966 2.326 123 HG LEU 17 HG LEU 17 17.540 -5.534 2.781 124 1HD1 LEU 17 1HD1 LEU 17 15.198 -4.683 2.236 125 2HD1 LEU 17 2HD1 LEU 17 14.693 -5.344 3.791 126 3HD1 LEU 17 3HD1 LEU 17 15.905 -4.063 3.728 127 1HD2 LEU 17 1HD2 LEU 17 17.215 -7.611 4.434 128 2HD2 LEU 17 2HD2 LEU 17 17.637 -6.010 5.044 129 3HD2 LEU 17 3HD2 LEU 17 15.964 -6.564 5.104 130 H ALA 18 H ALA 18 15.288 -8.736 -0.217 131 HA ALA 18 HA ALA 18 17.813 -9.972 -1.093 132 1HB ALA 18 1HB ALA 18 14.979 -10.900 -1.591 133 2HB ALA 18 2HB ALA 18 16.431 -11.887 -1.424 134 3HB ALA 18 3HB ALA 18 15.749 -11.075 -0.014 135 H SER 19 H SER 19 15.959 -7.591 -2.403 136 HA SER 19 HA SER 19 15.769 -6.740 -4.602 137 1HB SER 19 1HB SER 19 18.232 -8.023 -4.299 138 2HB SER 19 2HB SER 19 17.593 -8.678 -5.804 139 HG SER 19 HG SER 19 17.069 -6.292 -6.165 140 H ASP 20 H ASP 20 13.639 -8.227 -4.147 141 HA ASP 20 HA ASP 20 12.001 -9.605 -5.149 142 1HB ASP 20 1HB ASP 20 13.870 -8.929 -7.437 143 2HB ASP 20 2HB ASP 20 12.337 -9.770 -7.672 144 H LYS 21 H LYS 21 13.462 -11.223 -3.676 145 HA LYS 21 HA LYS 21 13.951 -13.592 -5.409 146 1HB LYS 21 1HB LYS 21 15.866 -12.404 -3.372 147 2HB LYS 21 2HB LYS 21 16.098 -13.959 -4.173 148 1HG LYS 21 1HG LYS 21 15.911 -12.704 -6.385 149 2HG LYS 21 2HG LYS 21 16.033 -11.216 -5.446 150 1HD LYS 21 1HD LYS 21 18.181 -12.075 -4.473 151 2HD LYS 21 2HD LYS 21 18.078 -13.450 -5.573 152 1HE LYS 21 1HE LYS 21 18.021 -11.849 -7.504 153 2HE LYS 21 2HE LYS 21 18.289 -10.522 -6.356 154 1HZ LYS 21 1HZ LYS 21 20.018 -12.911 -6.324 155 2HZ LYS 21 2HZ LYS 21 20.332 -11.646 -7.410 156 3HZ LYS 21 3HZ LYS 21 20.345 -11.351 -5.736 157 HA PRO 22 HA PRO 22 11.635 -15.349 -2.104 158 1HB PRO 22 1HB PRO 22 12.246 -18.012 -2.601 159 2HB PRO 22 2HB PRO 22 10.974 -17.098 -3.435 160 1HG PRO 22 1HG PRO 22 13.726 -17.759 -4.330 161 2HG PRO 22 2HG PRO 22 12.225 -17.658 -5.263 162 1HD PRO 22 1HD PRO 22 14.106 -15.725 -5.329 163 2HD PRO 22 2HD PRO 22 12.372 -15.379 -5.509 164 H TYR 23 H TYR 23 14.987 -15.334 -2.389 165 HA TYR 23 HA TYR 23 15.270 -16.367 0.406 166 1HB TYR 23 1HB TYR 23 17.408 -17.466 -0.439 167 2HB TYR 23 2HB TYR 23 15.913 -18.182 -1.042 168 HD1 TYR 23 HD1 TYR 23 15.442 -18.251 -3.360 169 HD2 TYR 23 HD2 TYR 23 18.602 -15.740 -1.893 170 HE1 TYR 23 HE1 TYR 23 16.162 -17.796 -5.689 171 HE2 TYR 23 HE2 TYR 23 19.323 -15.285 -4.222 172 HH TYR 23 HH TYR 23 18.416 -17.097 -6.810 173 H ILE 24 H ILE 24 17.155 -15.456 1.511 174 HA ILE 24 HA ILE 24 18.310 -13.048 0.145 175 HB ILE 24 HB ILE 24 16.400 -12.821 1.930 176 1HG1 ILE 24 1HG1 ILE 24 17.809 -10.979 0.981 177 2HG1 ILE 24 2HG1 ILE 24 17.340 -10.703 2.659 178 1HG2 ILE 24 1HG2 ILE 24 17.646 -14.378 3.524 179 2HG2 ILE 24 2HG2 ILE 24 18.781 -13.053 3.781 180 3HG2 ILE 24 3HG2 ILE 24 17.084 -12.858 4.219 181 1HD1 ILE 24 1HD1 ILE 24 19.713 -12.147 2.860 182 2HD1 ILE 24 2HD1 ILE 24 20.003 -11.043 1.517 183 3HD1 ILE 24 3HD1 ILE 24 19.536 -10.409 3.095 184 H LEU 25 H LEU 25 20.522 -12.808 0.414 185 HA LEU 25 HA LEU 25 22.022 -15.025 1.596 186 1HB LEU 25 1HB LEU 25 22.679 -12.434 0.180 187 2HB LEU 25 2HB LEU 25 23.940 -13.506 0.793 188 HG LEU 25 HG LEU 25 22.007 -15.075 -0.637 189 1HD1 LEU 25 1HD1 LEU 25 22.999 -12.573 -2.007 190 2HD1 LEU 25 2HD1 LEU 25 22.583 -14.023 -2.921 191 3HD1 LEU 25 3HD1 LEU 25 21.355 -13.211 -1.950 192 1HD2 LEU 25 1HD2 LEU 25 24.765 -14.926 -0.241 193 2HD2 LEU 25 2HD2 LEU 25 23.926 -16.096 -1.261 194 3HD2 LEU 25 3HD2 LEU 25 24.566 -14.611 -1.965 195 H ALA 26 H ALA 26 23.217 -14.954 3.503 196 HA ALA 26 HA ALA 26 22.444 -13.212 5.621 197 1HB ALA 26 1HB ALA 26 24.603 -15.203 5.049 198 2HB ALA 26 2HB ALA 26 23.366 -15.228 6.305 199 3HB ALA 26 3HB ALA 26 24.779 -14.187 6.480 200 H GLU 27 H GLU 27 25.268 -13.129 3.444 201 HA GLU 27 HA GLU 27 26.743 -11.049 4.643 202 1HB GLU 27 1HB GLU 27 26.291 -11.661 1.707 203 2HB GLU 27 2HB GLU 27 27.692 -10.842 2.391 204 1HG GLU 27 1HG GLU 27 27.936 -12.976 3.863 205 2HG GLU 27 2HG GLU 27 26.889 -13.729 2.660 206 H GLU 28 H GLU 28 23.950 -10.878 2.445 207 HA GLU 28 HA GLU 28 24.047 -8.037 2.003 208 1HB GLU 28 1HB GLU 28 22.570 -10.273 1.180 209 2HB GLU 28 2HB GLU 28 21.390 -9.229 1.973 210 1HG GLU 28 1HG GLU 28 21.656 -7.525 0.439 211 2HG GLU 28 2HG GLU 28 23.333 -7.951 0.097 212 H LEU 29 H LEU 29 22.210 -10.055 4.321 213 HA LEU 29 HA LEU 29 20.788 -7.942 5.603 214 1HB LEU 29 1HB LEU 29 21.834 -10.615 6.589 215 2HB LEU 29 2HB LEU 29 20.652 -9.637 7.460 216 HG LEU 29 HG LEU 29 20.341 -10.940 4.748 217 1HD1 LEU 29 1HD1 LEU 29 19.745 -11.807 7.309 218 2HD1 LEU 29 2HD1 LEU 29 18.212 -11.130 6.759 219 3HD1 LEU 29 3HD1 LEU 29 18.996 -12.409 5.831 220 1HD2 LEU 29 1HD2 LEU 29 18.850 -8.659 6.024 221 2HD2 LEU 29 2HD2 LEU 29 19.334 -8.865 4.340 222 3HD2 LEU 29 3HD2 LEU 29 17.986 -9.797 4.990 223 H ARG 30 H ARG 30 24.039 -9.271 6.149 224 HA ARG 30 HA ARG 30 24.631 -7.894 8.584 225 1HB ARG 30 1HB ARG 30 25.833 -9.782 7.180 226 2HB ARG 30 2HB ARG 30 26.667 -8.418 6.434 227 1HG ARG 30 1HG ARG 30 28.101 -8.645 8.193 228 2HG ARG 30 2HG ARG 30 26.861 -7.748 9.071 229 1HD ARG 30 1HD ARG 30 25.794 -10.093 9.507 230 2HD ARG 30 2HD ARG 30 27.403 -10.714 9.088 231 HE ARG 30 HE ARG 30 27.496 -8.482 10.965 232 1HH1 ARG 30 1HH1 ARG 30 27.129 -11.892 10.549 233 2HH1 ARG 30 2HH1 ARG 30 27.703 -12.277 12.135 234 1HH2 ARG 30 1HH2 ARG 30 28.248 -8.975 13.038 235 2HH2 ARG 30 2HH2 ARG 30 28.336 -10.630 13.543 236 H ARG 31 H ARG 31 24.826 -6.922 5.182 237 HA ARG 31 HA ARG 31 26.021 -4.302 5.904 238 1HB ARG 31 1HB ARG 31 26.682 -5.748 3.923 239 2HB ARG 31 2HB ARG 31 25.107 -5.382 3.222 240 1HG ARG 31 1HG ARG 31 25.735 -3.289 2.625 241 2HG ARG 31 2HG ARG 31 26.525 -2.997 4.173 242 1HD ARG 31 1HD ARG 31 28.275 -2.962 2.526 243 2HD ARG 31 2HD ARG 31 28.406 -4.542 3.324 244 HE ARG 31 HE ARG 31 26.593 -4.925 1.226 245 1HH1 ARG 31 1HH1 ARG 31 29.853 -3.851 1.630 246 2HH1 ARG 31 2HH1 ARG 31 30.375 -4.443 0.090 247 1HH2 ARG 31 1HH2 ARG 31 27.266 -5.701 -0.786 248 2HH2 ARG 31 2HH2 ARG 31 28.914 -5.491 -1.276 249 H GLU 32 H GLU 32 22.986 -5.675 4.684 250 HA GLU 32 HA GLU 32 21.714 -3.084 4.254 251 1HB GLU 32 1HB GLU 32 20.637 -5.912 4.491 252 2HB GLU 32 2HB GLU 32 19.737 -4.533 3.857 253 1HG GLU 32 1HG GLU 32 22.387 -4.943 2.623 254 2HG GLU 32 2HG GLU 32 21.222 -6.230 2.312 255 H LEU 33 H LEU 33 22.045 -5.282 6.971 256 HA LEU 33 HA LEU 33 20.169 -3.543 8.535 257 1HB LEU 33 1HB LEU 33 20.459 -6.468 8.157 258 2HB LEU 33 2HB LEU 33 20.169 -5.945 9.812 259 HG LEU 33 HG LEU 33 18.460 -4.507 7.959 260 1HD1 LEU 33 1HD1 LEU 33 18.881 -6.822 6.814 261 2HD1 LEU 33 2HD1 LEU 33 17.854 -7.451 8.103 262 3HD1 LEU 33 3HD1 LEU 33 17.224 -6.242 6.983 263 1HD2 LEU 33 1HD2 LEU 33 18.281 -4.921 10.503 264 2HD2 LEU 33 2HD2 LEU 33 16.795 -5.049 9.561 265 3HD2 LEU 33 3HD2 LEU 33 17.646 -6.507 10.071 266 HA PRO 34 HA PRO 34 23.418 -2.874 11.380 267 1HB PRO 34 1HB PRO 34 21.619 -3.591 13.633 268 2HB PRO 34 2HB PRO 34 22.472 -2.068 13.314 269 1HG PRO 34 1HG PRO 34 19.831 -2.314 12.975 270 2HG PRO 34 2HG PRO 34 20.826 -1.274 11.945 271 1HD PRO 34 1HD PRO 34 19.615 -3.918 11.346 272 2HD PRO 34 2HD PRO 34 19.921 -2.537 10.270 273 HA PRO 35 HA PRO 35 25.392 -6.702 12.160 274 1HB PRO 35 1HB PRO 35 26.415 -6.254 14.708 275 2HB PRO 35 2HB PRO 35 27.209 -5.766 13.199 276 1HG PRO 35 1HG PRO 35 25.607 -4.153 15.102 277 2HG PRO 35 2HG PRO 35 27.016 -3.695 14.134 278 1HD PRO 35 1HD PRO 35 24.499 -2.952 13.492 279 2HD PRO 35 2HD PRO 35 25.759 -3.238 12.272 280 H ASP 36 H ASP 36 23.621 -5.305 14.940 281 HA ASP 36 HA ASP 36 23.064 -7.804 16.235 282 1HB ASP 36 1HB ASP 36 21.531 -6.445 17.541 283 2HB ASP 36 2HB ASP 36 22.963 -5.476 17.191 284 H GLN 37 H GLN 37 21.219 -5.897 13.835 285 HA GLN 37 HA GLN 37 18.886 -7.599 13.887 286 1HB GLN 37 1HB GLN 37 20.000 -5.712 11.787 287 2HB GLN 37 2HB GLN 37 18.351 -6.338 11.819 288 1HG GLN 37 1HG GLN 37 19.655 -4.596 13.931 289 2HG GLN 37 2HG GLN 37 18.376 -4.113 12.816 290 2HE2 GLN 37 2HE2 GLN 37 18.240 -4.187 15.801 291 1HE2 GLN 37 1HE2 GLN 37 16.967 -5.245 16.180 292 H ALA 38 H ALA 38 21.827 -7.529 11.881 293 HA ALA 38 HA ALA 38 21.015 -9.518 9.982 294 1HB ALA 38 1HB ALA 38 23.615 -8.394 11.012 295 2HB ALA 38 2HB ALA 38 23.620 -9.706 9.834 296 3HB ALA 38 3HB ALA 38 22.863 -8.165 9.433 297 H GLN 39 H GLN 39 22.796 -9.761 13.071 298 HA GLN 39 HA GLN 39 23.410 -12.531 12.986 299 1HB GLN 39 1HB GLN 39 23.696 -10.374 14.704 300 2HB GLN 39 2HB GLN 39 22.644 -11.460 15.611 301 1HG GLN 39 1HG GLN 39 24.227 -13.284 15.371 302 2HG GLN 39 2HG GLN 39 25.245 -12.311 14.308 303 2HE2 GLN 39 2HE2 GLN 39 25.243 -13.422 17.378 304 1HE2 GLN 39 1HE2 GLN 39 26.003 -12.133 18.177 305 H TYR 40 H TYR 40 20.555 -10.893 14.409 306 HA TYR 40 HA TYR 40 19.214 -13.305 15.215 307 1HB TYR 40 1HB TYR 40 18.910 -10.553 15.457 308 2HB TYR 40 2HB TYR 40 17.523 -11.026 14.476 309 HD1 TYR 40 HD1 TYR 40 19.367 -11.899 17.608 310 HD2 TYR 40 HD2 TYR 40 15.647 -12.049 15.467 311 HE1 TYR 40 HE1 TYR 40 18.242 -12.794 19.628 312 HE2 TYR 40 HE2 TYR 40 14.520 -12.943 17.489 313 HH TYR 40 HH TYR 40 14.767 -13.605 19.588 314 H CYS 41 H CYS 41 18.808 -11.206 12.344 315 HA CYS 41 HA CYS 41 16.770 -12.786 11.088 316 1HB CYS 41 1HB CYS 41 18.862 -10.849 10.054 317 2HB CYS 41 2HB CYS 41 17.524 -11.454 9.078 318 HG CYS 41 HG CYS 41 16.854 -9.997 11.749 319 H ILE 42 H ILE 42 20.329 -12.759 10.711 320 HA ILE 42 HA ILE 42 20.381 -14.787 8.647 321 HB ILE 42 HB ILE 42 22.426 -13.729 10.625 322 1HG1 ILE 42 1HG1 ILE 42 22.185 -13.180 7.660 323 2HG1 ILE 42 2HG1 ILE 42 21.347 -12.196 8.861 324 1HG2 ILE 42 1HG2 ILE 42 22.601 -16.068 9.104 325 2HG2 ILE 42 2HG2 ILE 42 23.456 -14.861 8.144 326 3HG2 ILE 42 3HG2 ILE 42 23.952 -15.179 9.807 327 1HD1 ILE 42 1HD1 ILE 42 23.561 -11.814 9.992 328 2HD1 ILE 42 2HD1 ILE 42 24.336 -12.638 8.640 329 3HD1 ILE 42 3HD1 ILE 42 23.463 -11.129 8.371 330 H LYS 43 H LYS 43 20.115 -14.888 12.117 331 HA LYS 43 HA LYS 43 21.054 -17.663 12.365 332 1HB LYS 43 1HB LYS 43 21.330 -15.872 14.092 333 2HB LYS 43 2HB LYS 43 19.577 -15.841 14.290 334 1HG LYS 43 1HG LYS 43 19.675 -18.300 14.837 335 2HG LYS 43 2HG LYS 43 21.435 -18.169 14.840 336 1HD LYS 43 1HD LYS 43 19.531 -16.610 16.613 337 2HD LYS 43 2HD LYS 43 20.574 -17.937 17.126 338 1HE LYS 43 1HE LYS 43 22.561 -16.574 16.352 339 2HE LYS 43 2HE LYS 43 21.447 -15.214 16.105 340 1HZ LYS 43 1HZ LYS 43 21.364 -16.716 18.633 341 2HZ LYS 43 2HZ LYS 43 22.573 -15.542 18.411 342 3HZ LYS 43 3HZ LYS 43 20.934 -15.104 18.329 343 H ARG 44 H ARG 44 17.921 -15.944 12.518 344 HA ARG 44 HA ARG 44 16.332 -18.293 13.031 345 1HB ARG 44 1HB ARG 44 15.685 -15.602 11.786 346 2HB ARG 44 2HB ARG 44 14.490 -16.749 12.397 347 1HG ARG 44 1HG ARG 44 16.706 -15.971 14.237 348 2HG ARG 44 2HG ARG 44 15.448 -14.772 13.929 349 1HD ARG 44 1HD ARG 44 14.186 -15.848 15.479 350 2HD ARG 44 2HD ARG 44 14.073 -17.203 14.338 351 HE ARG 44 HE ARG 44 16.613 -17.325 15.631 352 1HH1 ARG 44 1HH1 ARG 44 13.235 -17.674 16.260 353 2HH1 ARG 44 2HH1 ARG 44 13.460 -18.814 17.543 354 1HH2 ARG 44 1HH2 ARG 44 16.919 -18.813 17.302 355 2HH2 ARG 44 2HH2 ARG 44 15.543 -19.463 18.129 356 H MET 45 H MET 45 16.493 -16.322 10.038 357 HA MET 45 HA MET 45 15.162 -17.694 8.159 358 1HB MET 45 1HB MET 45 17.245 -15.902 8.224 359 2HB MET 45 2HB MET 45 17.961 -17.256 7.353 360 1HG MET 45 1HG MET 45 16.519 -17.052 5.571 361 2HG MET 45 2HG MET 45 15.203 -16.451 6.576 362 1HE MET 45 1HE MET 45 16.306 -14.304 8.252 363 2HE MET 45 2HE MET 45 16.202 -12.811 7.328 364 3HE MET 45 3HE MET 45 14.865 -13.952 7.295 365 HA PRO 46 HA PRO 46 16.800 -21.830 8.584 366 1HB PRO 46 1HB PRO 46 14.917 -22.927 6.811 367 2HB PRO 46 2HB PRO 46 14.735 -22.807 8.570 368 1HG PRO 46 1HG PRO 46 13.620 -21.093 6.434 369 2HG PRO 46 2HG PRO 46 12.947 -21.518 8.015 370 1HD PRO 46 1HD PRO 46 14.003 -19.093 7.497 371 2HD PRO 46 2HD PRO 46 14.095 -19.851 9.102 372 H ALA 47 H ALA 47 16.598 -23.578 6.322 373 HA ALA 47 HA ALA 47 18.618 -22.308 4.545 374 1HB ALA 47 1HB ALA 47 17.659 -25.153 4.991 375 2HB ALA 47 2HB ALA 47 19.154 -24.438 5.594 376 3HB ALA 47 3HB ALA 47 18.941 -24.710 3.865 377 H TYR 48 H TYR 48 16.925 -21.003 3.417 378 HA TYR 48 HA TYR 48 15.218 -20.674 1.793 379 1HB TYR 48 1HB TYR 48 15.978 -21.779 -0.327 380 2HB TYR 48 2HB TYR 48 17.280 -20.976 0.547 381 HD1 TYR 48 HD1 TYR 48 19.209 -22.168 1.154 382 HD2 TYR 48 HD2 TYR 48 15.630 -24.314 0.141 383 HE1 TYR 48 HE1 TYR 48 20.460 -24.304 1.262 384 HE2 TYR 48 HE2 TYR 48 16.882 -26.452 0.249 385 HH TYR 48 HH TYR 48 20.373 -26.518 0.642 386 H SER 49 H SER 49 14.224 -22.454 -0.150 387 HA SER 49 HA SER 49 13.043 -24.745 1.333 388 1HB SER 49 1HB SER 49 11.797 -22.174 0.824 389 2HB SER 49 2HB SER 49 10.891 -23.466 0.043 390 HG SER 49 HG SER 49 10.592 -22.861 2.446 391 H GLY 50 H GLY 50 14.613 -23.813 -1.329 392 1HA GLY 50 1HA GLY 50 14.079 -24.225 -3.717 393 2HA GLY 50 2HA GLY 50 12.972 -25.490 -3.180 394 HA PRO 51 HA PRO 51 16.804 -27.755 -3.462 395 1HB PRO 51 1HB PRO 51 16.380 -28.569 -6.218 396 2HB PRO 51 2HB PRO 51 15.977 -29.449 -4.734 397 1HG PRO 51 1HG PRO 51 14.132 -28.398 -6.450 398 2HG PRO 51 2HG PRO 51 13.839 -28.718 -4.734 399 1HD PRO 51 1HD PRO 51 14.401 -26.138 -6.105 400 2HD PRO 51 2HD PRO 51 13.349 -26.479 -4.714 401 H GLY 52 H GLY 52 17.043 -24.903 -4.774 402 1HA GLY 52 1HA GLY 52 18.495 -24.277 -6.795 403 2HA GLY 52 2HA GLY 52 19.599 -25.518 -6.201 404 H SER 53 H SER 53 19.715 -25.048 -3.515 405 HA SER 53 HA SER 53 19.790 -22.480 -2.516 406 1HB SER 53 1HB SER 53 21.968 -24.435 -1.888 407 2HB SER 53 2HB SER 53 21.003 -23.458 -0.784 408 HG SER 53 HG SER 53 20.585 -25.962 -1.642 409 H VAL 54 H VAL 54 22.241 -21.690 -1.799 410 HA VAL 54 HA VAL 54 24.102 -21.648 -4.086 411 HB VAL 54 HB VAL 54 23.848 -18.954 -3.739 412 1HG1 VAL 54 1HG1 VAL 54 22.345 -20.795 -5.611 413 2HG1 VAL 54 2HG1 VAL 54 22.381 -19.043 -5.807 414 3HG1 VAL 54 3HG1 VAL 54 23.877 -19.973 -5.907 415 1HG2 VAL 54 1HG2 VAL 54 21.725 -19.760 -2.277 416 2HG2 VAL 54 2HG2 VAL 54 21.729 -18.256 -3.197 417 3HG2 VAL 54 3HG2 VAL 54 20.970 -19.699 -3.869 418 HA PRO 55 HA PRO 55 27.162 -20.747 -1.111 419 1HB PRO 55 1HB PRO 55 28.120 -18.178 -1.818 420 2HB PRO 55 2HB PRO 55 28.756 -19.734 -2.384 421 1HG PRO 55 1HG PRO 55 26.921 -17.846 -3.722 422 2HG PRO 55 2HG PRO 55 28.099 -18.968 -4.418 423 1HD PRO 55 1HD PRO 55 25.455 -19.427 -4.525 424 2HD PRO 55 2HD PRO 55 26.636 -20.746 -4.369 425 H GLY 56 H GLY 56 25.277 -20.466 0.432 426 1HA GLY 56 1HA GLY 56 25.485 -17.829 1.753 427 2HA GLY 56 2HA GLY 56 24.759 -19.279 2.448 428 H ALA 57 H ALA 57 22.564 -19.748 1.962 429 HA ALA 57 HA ALA 57 21.014 -17.405 0.987 430 1HB ALA 57 1HB ALA 57 19.734 -19.430 -0.301 431 2HB ALA 57 2HB ALA 57 21.001 -18.460 -1.050 432 3HB ALA 57 3HB ALA 57 21.391 -20.029 -0.348 433 H LEU 58 H LEU 58 19.245 -17.141 2.300 434 HA LEU 58 HA LEU 58 18.154 -19.542 3.719 435 1HB LEU 58 1HB LEU 58 18.764 -16.805 4.881 436 2HB LEU 58 2HB LEU 58 18.059 -18.161 5.759 437 HG LEU 58 HG LEU 58 20.440 -19.072 4.452 438 1HD1 LEU 58 1HD1 LEU 58 20.690 -16.496 6.020 439 2HD1 LEU 58 2HD1 LEU 58 22.040 -17.607 5.789 440 3HD1 LEU 58 3HD1 LEU 58 21.287 -16.832 4.395 441 1HD2 LEU 58 1HD2 LEU 58 19.636 -18.602 7.337 442 2HD2 LEU 58 2HD2 LEU 58 19.554 -20.117 6.439 443 3HD2 LEU 58 3HD2 LEU 58 21.120 -19.431 6.868 444 H ASP 59 H ASP 59 15.903 -19.197 4.460 445 HA ASP 59 HA ASP 59 14.456 -17.252 2.703 446 1HB ASP 59 1HB ASP 59 14.115 -20.023 3.565 447 2HB ASP 59 2HB ASP 59 12.651 -19.071 3.819 448 H TYR 60 H TYR 60 14.008 -15.407 3.856 449 HA TYR 60 HA TYR 60 13.767 -15.310 6.745 450 1HB TYR 60 1HB TYR 60 13.018 -12.954 6.166 451 2HB TYR 60 2HB TYR 60 14.558 -13.417 5.444 452 HD1 TYR 60 HD1 TYR 60 14.852 -13.374 3.103 453 HD2 TYR 60 HD2 TYR 60 10.888 -13.260 4.753 454 HE1 TYR 60 HE1 TYR 60 13.924 -12.951 0.842 455 HE2 TYR 60 HE2 TYR 60 9.960 -12.837 2.492 456 HH TYR 60 HH TYR 60 11.636 -13.355 -0.308 457 H ALA 61 H ALA 61 11.533 -15.850 4.104 458 HA ALA 61 HA ALA 61 9.077 -15.047 5.249 459 1HB ALA 61 1HB ALA 61 9.599 -17.539 3.603 460 2HB ALA 61 2HB ALA 61 8.127 -16.566 3.629 461 3HB ALA 61 3HB ALA 61 9.604 -15.914 2.918 462 H ALA 62 H ALA 62 10.997 -17.986 5.768 463 HA ALA 62 HA ALA 62 9.028 -19.390 7.333 464 1HB ALA 62 1HB ALA 62 10.970 -20.432 6.219 465 2HB ALA 62 2HB ALA 62 12.057 -19.528 7.273 466 3HB ALA 62 3HB ALA 62 10.999 -20.765 7.951 467 H PHE 63 H PHE 63 11.545 -17.068 8.086 468 HA PHE 63 HA PHE 63 11.400 -17.328 10.969 469 1HB PHE 63 1HB PHE 63 13.353 -16.442 9.815 470 2HB PHE 63 2HB PHE 63 12.384 -15.157 9.091 471 HD1 PHE 63 HD1 PHE 63 12.256 -16.478 12.576 472 HD2 PHE 63 HD2 PHE 63 13.289 -13.178 10.029 473 HE1 PHE 63 HE1 PHE 63 12.656 -15.063 14.571 474 HE2 PHE 63 HE2 PHE 63 13.686 -11.762 12.024 475 HZ PHE 63 HZ PHE 63 13.371 -12.704 14.297 476 H SER 64 H SER 64 9.782 -15.279 8.567 477 HA SER 64 HA SER 64 8.606 -13.352 10.270 478 1HB SER 64 1HB SER 64 7.176 -14.586 7.927 479 2HB SER 64 2HB SER 64 7.273 -12.890 8.389 480 HG SER 64 HG SER 64 8.687 -13.108 6.735 481 H SER 65 H SER 65 7.246 -16.496 9.206 482 HA SER 65 HA SER 65 4.802 -16.367 10.633 483 1HB SER 65 1HB SER 65 6.370 -18.910 10.302 484 2HB SER 65 2HB SER 65 4.649 -18.630 10.047 485 HG SER 65 HG SER 65 5.069 -18.067 8.069 486 H ALA 66 H ALA 66 8.030 -17.387 11.714 487 HA ALA 66 HA ALA 66 7.251 -18.509 14.234 488 1HB ALA 66 1HB ALA 66 9.634 -18.297 14.716 489 2HB ALA 66 2HB ALA 66 9.814 -17.092 13.440 490 3HB ALA 66 3HB ALA 66 9.433 -18.764 13.028 491 H LEU 67 H LEU 67 8.367 -15.217 13.372 492 HA LEU 67 HA LEU 67 8.277 -14.109 16.002 493 1HB LEU 67 1HB LEU 67 8.191 -13.131 13.170 494 2HB LEU 67 2HB LEU 67 7.850 -11.980 14.453 495 HG LEU 67 HG LEU 67 10.376 -12.698 13.504 496 1HD1 LEU 67 1HD1 LEU 67 9.508 -11.380 16.087 497 2HD1 LEU 67 2HD1 LEU 67 11.157 -11.338 15.461 498 3HD1 LEU 67 3HD1 LEU 67 9.849 -10.588 14.548 499 1HD2 LEU 67 1HD2 LEU 67 10.170 -14.826 14.862 500 2HD2 LEU 67 2HD2 LEU 67 11.524 -13.797 15.326 501 3HD2 LEU 67 3HD2 LEU 67 10.062 -13.820 16.307 502 H TYR 68 H TYR 68 5.780 -14.204 13.440 503 HA TYR 68 HA TYR 68 3.824 -12.915 15.247 504 1HB TYR 68 1HB TYR 68 4.010 -13.737 12.367 505 2HB TYR 68 2HB TYR 68 2.417 -13.436 13.063 506 HD1 TYR 68 HD1 TYR 68 5.123 -11.923 11.417 507 HD2 TYR 68 HD2 TYR 68 2.309 -11.225 14.587 508 HE1 TYR 68 HE1 TYR 68 5.488 -9.479 11.204 509 HE2 TYR 68 HE2 TYR 68 2.674 -8.782 14.373 510 HH TYR 68 HH TYR 68 3.569 -7.244 12.168 511 H GLY 69 H GLY 69 4.795 -16.105 14.351 512 1HA GLY 69 1HA GLY 69 2.350 -17.185 15.693 513 2HA GLY 69 2HA GLY 69 3.938 -17.949 15.781 514 H GLU 70 H GLU 70 3.965 -19.768 14.555 515 HA GLU 70 HA GLU 70 2.792 -19.648 11.807 516 1HB GLU 70 1HB GLU 70 4.394 -21.382 11.311 517 2HB GLU 70 2HB GLU 70 5.241 -20.163 12.265 518 1HG GLU 70 1HG GLU 70 4.653 -21.557 14.322 519 2HG GLU 70 2HG GLU 70 4.168 -22.831 13.202 520 H SER 71 H SER 71 1.037 -20.049 14.081 521 HA SER 71 HA SER 71 -0.017 -22.740 13.370 522 1HB SER 71 1HB SER 71 1.533 -22.793 15.401 523 2HB SER 71 2HB SER 71 0.335 -21.801 16.228 524 HG SER 71 HG SER 71 -0.734 -23.568 16.560 525 H ASP 72 H ASP 72 -2.285 -22.991 14.373 526 HA ASP 72 HA ASP 72 -3.898 -20.685 13.723 527 1HB ASP 72 1HB ASP 72 -4.464 -23.161 13.561 528 2HB ASP 72 2HB ASP 72 -4.656 -23.150 15.315 529 H LEU 73 H LEU 73 -4.624 -19.067 15.072 530 HA LEU 73 HA LEU 73 -3.666 -19.020 17.863 531 1HB LEU 73 1HB LEU 73 -5.272 -17.043 16.207 532 2HB LEU 73 2HB LEU 73 -4.462 -16.694 17.735 533 HG LEU 73 HG LEU 73 -2.949 -17.780 15.360 534 1HD1 LEU 73 1HD1 LEU 73 -4.240 -15.554 14.946 535 2HD1 LEU 73 2HD1 LEU 73 -3.067 -14.852 16.059 536 3HD1 LEU 73 3HD1 LEU 73 -2.519 -15.608 14.564 537 1HD2 LEU 73 1HD2 LEU 73 -2.079 -17.727 17.807 538 2HD2 LEU 73 2HD2 LEU 73 -1.035 -17.070 16.548 539 3HD2 LEU 73 3HD2 LEU 73 -1.968 -15.982 17.576 540 H GLY 7 H GLY 7 14.681 5.529 -0.624 541 1HA GLY 7 1HA GLY 7 12.345 5.401 -1.439 542 2HA GLY 7 2HA GLY 7 12.283 5.712 0.297 543 H LYS 8 H LYS 8 13.219 2.697 -1.348 544 HA LYS 8 HA LYS 8 10.764 1.403 -0.215 545 1HB LYS 8 1HB LYS 8 11.659 1.535 -2.780 546 2HB LYS 8 2HB LYS 8 12.443 0.044 -2.252 547 1HG LYS 8 1HG LYS 8 10.313 -0.612 -3.114 548 2HG LYS 8 2HG LYS 8 10.163 -0.679 -1.358 549 1HD LYS 8 1HD LYS 8 9.531 1.977 -2.115 550 2HD LYS 8 2HD LYS 8 8.664 0.917 -3.228 551 1HE LYS 8 1HE LYS 8 7.459 -0.127 -1.497 552 2HE LYS 8 2HE LYS 8 8.638 0.356 -0.261 553 1HZ LYS 8 1HZ LYS 8 7.304 2.440 -1.839 554 2HZ LYS 8 2HZ LYS 8 6.437 1.707 -0.576 555 3HZ LYS 8 3HZ LYS 8 7.900 2.508 -0.254 556 H LYS 9 H LYS 9 14.284 1.024 -0.634 557 HA LYS 9 HA LYS 9 14.475 -1.467 0.827 558 1HB LYS 9 1HB LYS 9 16.085 0.204 -0.735 559 2HB LYS 9 2HB LYS 9 16.833 0.256 0.862 560 1HG LYS 9 1HG LYS 9 16.373 -2.386 0.717 561 2HG LYS 9 2HG LYS 9 16.516 -2.043 -1.007 562 1HD LYS 9 1HD LYS 9 18.582 -0.681 0.530 563 2HD LYS 9 2HD LYS 9 18.632 -2.427 0.777 564 1HE LYS 9 1HE LYS 9 19.993 -2.036 -1.153 565 2HE LYS 9 2HE LYS 9 18.443 -2.605 -1.805 566 1HZ LYS 9 1HZ LYS 9 17.722 -0.306 -2.008 567 2HZ LYS 9 2HZ LYS 9 19.217 0.239 -1.411 568 3HZ LYS 9 3HZ LYS 9 19.144 -0.561 -2.904 569 H ALA 10 H ALA 10 15.246 1.921 1.725 570 HA ALA 10 HA ALA 10 15.976 1.484 4.418 571 1HB ALA 10 1HB ALA 10 15.170 3.891 4.644 572 2HB ALA 10 2HB ALA 10 16.291 3.604 3.314 573 3HB ALA 10 3HB ALA 10 14.564 3.758 2.993 574 H GLU 11 H GLU 11 12.745 1.963 2.987 575 HA GLU 11 HA GLU 11 11.277 2.016 5.454 576 1HB GLU 11 1HB GLU 11 10.794 2.404 2.786 577 2HB GLU 11 2HB GLU 11 10.009 0.846 3.050 578 1HG GLU 11 1HG GLU 11 8.637 1.749 4.813 579 2HG GLU 11 2HG GLU 11 9.543 3.262 4.815 580 H ALA 12 H ALA 12 12.173 -0.639 3.245 581 HA ALA 12 HA ALA 12 10.724 -2.707 4.628 582 1HB ALA 12 1HB ALA 12 11.380 -3.163 2.420 583 2HB ALA 12 2HB ALA 12 13.007 -2.531 2.674 584 3HB ALA 12 3HB ALA 12 12.551 -4.095 3.354 585 H VAL 13 H VAL 13 14.041 -1.450 4.921 586 HA VAL 13 HA VAL 13 15.050 -3.425 6.727 587 HB VAL 13 HB VAL 13 15.707 -0.473 6.456 588 1HG1 VAL 13 1HG1 VAL 13 16.924 -2.757 7.901 589 2HG1 VAL 13 2HG1 VAL 13 18.047 -1.751 6.985 590 3HG1 VAL 13 3HG1 VAL 13 17.031 -1.028 8.233 591 1HG2 VAL 13 1HG2 VAL 13 15.702 -2.135 4.386 592 2HG2 VAL 13 2HG2 VAL 13 17.025 -0.991 4.614 593 3HG2 VAL 13 3HG2 VAL 13 17.221 -2.675 5.100 594 H ALA 14 H ALA 14 13.454 -0.280 7.331 595 HA ALA 14 HA ALA 14 13.643 -0.272 10.166 596 1HB ALA 14 1HB ALA 14 12.186 1.058 8.012 597 2HB ALA 14 2HB ALA 14 12.784 1.728 9.531 598 3HB ALA 14 3HB ALA 14 11.215 0.926 9.478 599 H THR 15 H THR 15 11.156 -1.669 8.020 600 HA THR 15 HA THR 15 9.358 -2.537 10.071 601 HB THR 15 HB THR 15 9.983 -3.517 7.270 602 HG1 THR 15 HG1 THR 15 8.785 -1.896 6.745 603 1HG2 THR 15 1HG2 THR 15 7.736 -4.246 9.162 604 2HG2 THR 15 2HG2 THR 15 7.669 -4.531 7.423 605 3HG2 THR 15 3HG2 THR 15 8.895 -5.337 8.402 606 H VAL 16 H VAL 16 12.186 -4.093 8.567 607 HA VAL 16 HA VAL 16 11.832 -6.670 9.815 608 HB VAL 16 HB VAL 16 14.261 -5.209 8.727 609 1HG1 VAL 16 1HG1 VAL 16 14.143 -7.602 10.211 610 2HG1 VAL 16 2HG1 VAL 16 14.315 -8.098 8.528 611 3HG1 VAL 16 3HG1 VAL 16 15.503 -7.016 9.252 612 1HG2 VAL 16 1HG2 VAL 16 12.249 -5.626 7.202 613 2HG2 VAL 16 2HG2 VAL 16 13.782 -6.306 6.655 614 3HG2 VAL 16 3HG2 VAL 16 12.573 -7.348 7.406 615 H VAL 17 H VAL 17 13.857 -3.836 10.654 616 HA VAL 17 HA VAL 17 15.103 -4.913 12.968 617 HB VAL 17 HB VAL 17 14.209 -2.083 12.326 618 1HG1 VAL 17 1HG1 VAL 17 16.343 -3.149 14.200 619 2HG1 VAL 17 2HG1 VAL 17 16.126 -1.449 13.787 620 3HG1 VAL 17 3HG1 VAL 17 14.866 -2.309 14.670 621 1HG2 VAL 17 1HG2 VAL 17 16.289 -3.862 11.262 622 2HG2 VAL 17 2HG2 VAL 17 15.652 -2.360 10.596 623 3HG2 VAL 17 3HG2 VAL 17 16.920 -2.312 11.820 624 H ALA 18 H ALA 18 12.021 -3.134 12.636 625 HA ALA 18 HA ALA 18 11.369 -3.048 15.423 626 1HB ALA 18 1HB ALA 18 9.595 -3.151 12.961 627 2HB ALA 18 2HB ALA 18 10.343 -1.694 13.614 628 3HB ALA 18 3HB ALA 18 9.117 -2.550 14.549 629 H ALA 19 H ALA 19 10.491 -5.390 12.863 630 HA ALA 19 HA ALA 19 8.862 -7.081 14.504 631 1HB ALA 19 1HB ALA 19 8.709 -7.276 12.147 632 2HB ALA 19 2HB ALA 19 10.459 -7.395 11.960 633 3HB ALA 19 3HB ALA 19 9.550 -8.748 12.634 634 H VAL 20 H VAL 20 12.336 -7.215 13.677 635 HA VAL 20 HA VAL 20 12.907 -9.640 15.114 636 HB VAL 20 HB VAL 20 14.649 -7.260 14.392 637 1HG1 VAL 20 1HG1 VAL 20 15.182 -9.795 15.724 638 2HG1 VAL 20 2HG1 VAL 20 16.113 -9.638 14.235 639 3HG1 VAL 20 3HG1 VAL 20 16.249 -8.410 15.491 640 1HG2 VAL 20 1HG2 VAL 20 13.206 -8.716 12.641 641 2HG2 VAL 20 2HG2 VAL 20 14.820 -8.111 12.262 642 3HG2 VAL 20 3HG2 VAL 20 14.607 -9.777 12.798 643 H ASP 21 H ASP 21 13.142 -6.194 16.021 644 HA ASP 21 HA ASP 21 14.307 -6.544 18.596 645 1HB ASP 21 1HB ASP 21 13.502 -4.484 16.972 646 2HB ASP 21 2HB ASP 21 12.304 -4.398 18.265 647 H GLN 22 H GLN 22 10.957 -6.822 17.490 648 HA GLN 22 HA GLN 22 9.616 -6.729 19.994 649 1HB GLN 22 1HB GLN 22 8.896 -6.942 17.428 650 2HB GLN 22 2HB GLN 22 8.778 -8.649 17.858 651 1HG GLN 22 1HG GLN 22 7.547 -6.624 19.690 652 2HG GLN 22 2HG GLN 22 6.705 -7.033 18.195 653 2HE2 GLN 22 2HE2 GLN 22 5.491 -8.950 18.205 654 1HE2 GLN 22 1HE2 GLN 22 5.576 -10.132 19.420 655 H ALA 23 H ALA 23 10.840 -9.593 18.209 656 HA ALA 23 HA ALA 23 10.207 -11.493 20.272 657 1HB ALA 23 1HB ALA 23 10.594 -12.057 17.915 658 2HB ALA 23 2HB ALA 23 11.748 -12.924 18.929 659 3HB ALA 23 3HB ALA 23 12.261 -11.492 18.035 660 H ARG 24 H ARG 24 13.125 -9.598 19.543 661 HA ARG 24 HA ARG 24 14.872 -10.843 21.441 662 1HB ARG 24 1HB ARG 24 15.022 -8.966 19.459 663 2HB ARG 24 2HB ARG 24 15.172 -7.950 20.893 664 1HG ARG 24 1HG ARG 24 16.771 -10.402 21.058 665 2HG ARG 24 2HG ARG 24 17.240 -9.360 19.714 666 1HD ARG 24 1HD ARG 24 18.286 -7.964 21.156 667 2HD ARG 24 2HD ARG 24 16.763 -7.721 22.036 668 HE ARG 24 HE ARG 24 18.036 -10.295 22.594 669 1HH1 ARG 24 1HH1 ARG 24 17.786 -6.942 23.388 670 2HH1 ARG 24 2HH1 ARG 24 18.342 -7.155 25.013 671 1HH2 ARG 24 1HH2 ARG 24 18.758 -10.583 24.712 672 2HH2 ARG 24 2HH2 ARG 24 18.888 -9.213 25.764 673 H VAL 25 H VAL 25 12.479 -8.248 21.751 674 HA VAL 25 HA VAL 25 13.285 -7.255 24.308 675 HB VAL 25 HB VAL 25 10.626 -7.400 22.867 676 1HG1 VAL 25 1HG1 VAL 25 11.430 -6.144 25.472 677 2HG1 VAL 25 2HG1 VAL 25 10.237 -5.330 24.458 678 3HG1 VAL 25 3HG1 VAL 25 9.928 -6.964 25.046 679 1HG2 VAL 25 1HG2 VAL 25 12.989 -5.899 22.434 680 2HG2 VAL 25 2HG2 VAL 25 11.420 -5.668 21.663 681 3HG2 VAL 25 3HG2 VAL 25 11.818 -4.784 23.137 682 H ARG 26 H ARG 26 11.474 -10.086 23.366 683 HA ARG 26 HA ARG 26 10.816 -10.643 26.233 684 1HB ARG 26 1HB ARG 26 9.718 -11.597 23.576 685 2HB ARG 26 2HB ARG 26 9.248 -12.322 25.113 686 1HG ARG 26 1HG ARG 26 9.128 -9.373 25.064 687 2HG ARG 26 2HG ARG 26 7.984 -10.173 23.985 688 1HD ARG 26 1HD ARG 26 7.064 -11.475 25.820 689 2HD ARG 26 2HD ARG 26 8.308 -10.860 26.927 690 HE ARG 26 HE ARG 26 7.128 -8.574 25.849 691 1HH1 ARG 26 1HH1 ARG 26 6.100 -11.390 27.567 692 2HH1 ARG 26 2HH1 ARG 26 4.782 -10.587 28.351 693 1HH2 ARG 26 1HH2 ARG 26 5.412 -7.518 26.868 694 2HH2 ARG 26 2HH2 ARG 26 4.395 -8.399 27.960 695 H GLU 27 H GLU 27 13.478 -11.069 24.875 696 HA GLU 27 HA GLU 27 13.756 -13.961 24.522 697 1HB GLU 27 1HB GLU 27 15.056 -11.928 23.496 698 2HB GLU 27 2HB GLU 27 15.989 -11.995 24.991 699 1HG GLU 27 1HG GLU 27 16.352 -14.467 24.521 700 2HG GLU 27 2HG GLU 27 15.666 -14.180 22.922 701 HA PRO 28 HA PRO 28 13.884 -14.840 28.881 702 1HB PRO 28 1HB PRO 28 15.630 -17.086 28.009 703 2HB PRO 28 2HB PRO 28 14.143 -17.125 28.977 704 1HG PRO 28 1HG PRO 28 14.188 -17.939 26.435 705 2HG PRO 28 2HG PRO 28 12.782 -17.123 27.137 706 1HD PRO 28 1HD PRO 28 14.832 -16.071 25.259 707 2HD PRO 28 2HD PRO 28 13.100 -15.688 25.383 708 H ARG 29 H ARG 29 16.898 -15.599 27.078 709 HA ARG 29 HA ARG 29 18.478 -14.343 29.266 710 1HB ARG 29 1HB ARG 29 18.786 -16.459 27.265 711 2HB ARG 29 2HB ARG 29 20.190 -15.393 27.335 712 1HG ARG 29 1HG ARG 29 20.582 -15.856 29.611 713 2HG ARG 29 2HG ARG 29 18.951 -16.478 29.858 714 1HD ARG 29 1HD ARG 29 20.154 -18.475 29.737 715 2HD ARG 29 2HD ARG 29 19.734 -18.264 28.029 716 HE ARG 29 HE ARG 29 22.390 -17.771 29.232 717 1HH1 ARG 29 1HH1 ARG 29 20.237 -17.426 26.537 718 2HH1 ARG 29 2HH1 ARG 29 21.512 -17.170 25.398 719 1HH2 ARG 29 1HH2 ARG 29 24.043 -17.428 27.745 720 2HH2 ARG 29 2HH2 ARG 29 23.656 -17.164 26.077 No H/Q in entry = 720 Start of MODEL 15 1 H MET 1 H MET 1 -10.147 -7.829 -0.672 2 HA MET 1 HA MET 1 -8.431 -5.741 -1.153 3 1HB MET 1 1HB MET 1 -9.951 -6.491 1.359 4 2HB MET 1 2HB MET 1 -9.224 -4.901 1.121 5 1HG MET 1 1HG MET 1 -10.563 -4.559 -0.901 6 2HG MET 1 2HG MET 1 -11.248 -6.176 -0.742 7 1HE MET 1 1HE MET 1 -11.643 -2.668 -0.304 8 2HE MET 1 2HE MET 1 -12.465 -2.326 1.224 9 3HE MET 1 3HE MET 1 -10.754 -2.745 1.216 10 H ALA 2 H ALA 2 -8.242 -7.208 2.089 11 HA ALA 2 HA ALA 2 -5.303 -7.542 1.815 12 1HB ALA 2 1HB ALA 2 -5.068 -5.435 2.659 13 2HB ALA 2 2HB ALA 2 -5.505 -6.179 4.197 14 3HB ALA 2 3HB ALA 2 -6.738 -5.381 3.221 15 H ASP 3 H ASP 3 -4.470 -8.363 4.099 16 HA ASP 3 HA ASP 3 -6.375 -9.697 5.834 17 1HB ASP 3 1HB ASP 3 -6.254 -10.910 3.485 18 2HB ASP 3 2HB ASP 3 -4.763 -11.586 4.143 19 H THR 4 H THR 4 -5.108 -9.042 7.593 20 HA THR 4 HA THR 4 -3.320 -9.145 9.136 21 HB THR 4 HB THR 4 -2.161 -11.393 7.525 22 HG1 THR 4 HG1 THR 4 -4.653 -11.413 8.876 23 1HG2 THR 4 1HG2 THR 4 -2.255 -10.471 10.297 24 2HG2 THR 4 2HG2 THR 4 -2.647 -12.184 10.142 25 3HG2 THR 4 3HG2 THR 4 -1.117 -11.571 9.518 26 H ASP 5 H ASP 5 -1.985 -7.374 8.839 27 HA ASP 5 HA ASP 5 -0.097 -7.405 6.512 28 1HB ASP 5 1HB ASP 5 -1.772 -5.547 6.770 29 2HB ASP 5 2HB ASP 5 -0.997 -5.120 8.295 30 H THR 6 H THR 6 0.485 -8.962 8.871 31 HA THR 6 HA THR 6 2.640 -7.347 10.186 32 HB THR 6 HB THR 6 1.459 -9.986 11.081 33 HG1 THR 6 HG1 THR 6 0.129 -8.599 12.419 34 1HG2 THR 6 1HG2 THR 6 3.466 -8.166 12.065 35 2HG2 THR 6 2HG2 THR 6 2.137 -8.267 13.219 36 3HG2 THR 6 3HG2 THR 6 2.981 -9.731 12.714 37 H ALA 7 H ALA 7 2.118 -10.826 9.507 38 HA ALA 7 HA ALA 7 4.908 -11.426 9.226 39 1HB ALA 7 1HB ALA 7 2.277 -12.720 8.572 40 2HB ALA 7 2HB ALA 7 3.761 -13.461 7.973 41 3HB ALA 7 3HB ALA 7 3.521 -13.244 9.707 42 H GLU 8 H GLU 8 2.341 -10.855 6.803 43 HA GLU 8 HA GLU 8 3.890 -11.230 4.456 44 1HB GLU 8 1HB GLU 8 1.330 -10.744 4.977 45 2HB GLU 8 2HB GLU 8 1.810 -9.076 4.660 46 1HG GLU 8 1HG GLU 8 2.664 -11.208 2.735 47 2HG GLU 8 2HG GLU 8 0.998 -10.630 2.678 48 H GLN 9 H GLN 9 3.521 -8.393 6.566 49 HA GLN 9 HA GLN 9 4.851 -6.472 4.926 50 1HB GLN 9 1HB GLN 9 3.484 -6.314 7.151 51 2HB GLN 9 2HB GLN 9 5.045 -6.573 7.931 52 1HG GLN 9 1HG GLN 9 5.978 -4.636 6.725 53 2HG GLN 9 2HG GLN 9 4.424 -4.377 5.932 54 2HE2 GLN 9 2HE2 GLN 9 5.580 -2.360 7.604 55 1HE2 GLN 9 1HE2 GLN 9 4.614 -2.192 8.988 56 H VAL 10 H VAL 10 6.135 -8.650 7.464 57 HA VAL 10 HA VAL 10 8.850 -7.802 7.356 58 HB VAL 10 HB VAL 10 7.499 -10.446 7.973 59 1HG1 VAL 10 1HG1 VAL 10 10.379 -9.643 7.983 60 2HG1 VAL 10 2HG1 VAL 10 9.801 -10.655 9.307 61 3HG1 VAL 10 3HG1 VAL 10 9.654 -11.215 7.641 62 1HG2 VAL 10 1HG2 VAL 10 8.176 -7.959 9.454 63 2HG2 VAL 10 2HG2 VAL 10 6.851 -9.096 9.711 64 3HG2 VAL 10 3HG2 VAL 10 8.466 -9.473 10.313 65 H ILE 11 H ILE 11 7.113 -10.290 5.488 66 HA ILE 11 HA ILE 11 9.368 -11.246 3.993 67 HB ILE 11 HB ILE 11 6.400 -11.131 3.351 68 1HG1 ILE 11 1HG1 ILE 11 8.022 -13.378 4.582 69 2HG1 ILE 11 2HG1 ILE 11 7.080 -12.229 5.534 70 1HG2 ILE 11 1HG2 ILE 11 7.965 -11.640 1.424 71 2HG2 ILE 11 2HG2 ILE 11 8.499 -13.060 2.323 72 3HG2 ILE 11 3HG2 ILE 11 6.819 -12.927 1.800 73 1HD1 ILE 11 1HD1 ILE 11 5.179 -12.945 3.784 74 2HD1 ILE 11 2HD1 ILE 11 6.147 -14.418 3.737 75 3HD1 ILE 11 3HD1 ILE 11 5.472 -13.856 5.266 76 H ALA 12 H ALA 12 6.833 -8.832 3.218 77 HA ALA 12 HA ALA 12 7.789 -8.078 0.647 78 1HB ALA 12 1HB ALA 12 5.640 -7.347 1.401 79 2HB ALA 12 2HB ALA 12 6.313 -6.658 2.879 80 3HB ALA 12 3HB ALA 12 6.616 -5.879 1.327 81 H SER 13 H SER 13 8.668 -6.963 3.906 82 HA SER 13 HA SER 13 10.498 -4.897 3.071 83 1HB SER 13 1HB SER 13 10.570 -6.573 5.595 84 2HB SER 13 2HB SER 13 11.109 -4.908 5.400 85 HG SER 13 HG SER 13 8.635 -5.889 5.918 86 H PHE 14 H PHE 14 10.904 -8.331 3.977 87 HA PHE 14 HA PHE 14 13.770 -8.401 3.608 88 1HB PHE 14 1HB PHE 14 11.487 -10.337 3.828 89 2HB PHE 14 2HB PHE 14 13.057 -10.947 3.302 90 HD1 PHE 14 HD1 PHE 14 11.184 -10.908 6.076 91 HD2 PHE 14 HD2 PHE 14 14.992 -9.399 4.782 92 HE1 PHE 14 HE1 PHE 14 11.977 -10.894 8.426 93 HE2 PHE 14 HE2 PHE 14 15.785 -9.383 7.132 94 HZ PHE 14 HZ PHE 14 14.277 -10.131 8.954 95 H ARG 15 H ARG 15 11.000 -9.117 1.490 96 HA ARG 15 HA ARG 15 12.332 -10.156 -0.765 97 1HB ARG 15 1HB ARG 15 9.796 -9.430 -0.071 98 2HB ARG 15 2HB ARG 15 10.190 -8.148 -1.215 99 1HG ARG 15 1HG ARG 15 10.932 -9.943 -2.832 100 2HG ARG 15 2HG ARG 15 10.267 -11.133 -1.714 101 1HD ARG 15 1HD ARG 15 8.041 -10.070 -1.889 102 2HD ARG 15 2HD ARG 15 8.705 -8.873 -3.018 103 HE ARG 15 HE ARG 15 9.406 -11.465 -3.964 104 1HH1 ARG 15 1HH1 ARG 15 6.663 -9.426 -3.460 105 2HH1 ARG 15 2HH1 ARG 15 5.750 -10.118 -4.758 106 1HH2 ARG 15 1HH2 ARG 15 8.223 -12.372 -5.658 107 2HH2 ARG 15 2HH2 ARG 15 6.631 -11.782 -6.002 108 H ILE 16 H ILE 16 11.841 -6.770 0.227 109 HA ILE 16 HA ILE 16 13.016 -5.534 -2.078 110 HB ILE 16 HB ILE 16 12.574 -4.767 0.812 111 1HG1 ILE 16 1HG1 ILE 16 11.349 -3.647 -1.720 112 2HG1 ILE 16 2HG1 ILE 16 10.674 -5.046 -0.882 113 1HG2 ILE 16 1HG2 ILE 16 14.002 -3.282 -1.369 114 2HG2 ILE 16 2HG2 ILE 16 13.000 -2.378 -0.233 115 3HG2 ILE 16 3HG2 ILE 16 14.355 -3.340 0.358 116 1HD1 ILE 16 1HD1 ILE 16 11.160 -2.340 0.398 117 2HD1 ILE 16 2HD1 ILE 16 9.595 -2.910 -0.183 118 3HD1 ILE 16 3HD1 ILE 16 10.390 -3.733 1.159 119 H LEU 17 H LEU 17 14.417 -6.496 1.076 120 HA LEU 17 HA LEU 17 17.058 -5.500 0.601 121 1HB LEU 17 1HB LEU 17 16.177 -7.920 2.207 122 2HB LEU 17 2HB LEU 17 17.628 -6.957 2.471 123 HG LEU 17 HG LEU 17 14.753 -6.136 2.892 124 1HD1 LEU 17 1HD1 LEU 17 16.301 -7.323 4.648 125 2HD1 LEU 17 2HD1 LEU 17 17.064 -5.738 4.772 126 3HD1 LEU 17 3HD1 LEU 17 15.349 -5.923 5.143 127 1HD2 LEU 17 1HD2 LEU 17 17.213 -4.476 2.433 128 2HD2 LEU 17 2HD2 LEU 17 15.560 -4.189 1.889 129 3HD2 LEU 17 3HD2 LEU 17 15.996 -3.907 3.574 130 H ALA 18 H ALA 18 15.567 -8.674 -0.053 131 HA ALA 18 HA ALA 18 18.046 -9.745 -1.216 132 1HB ALA 18 1HB ALA 18 15.275 -10.910 -1.439 133 2HB ALA 18 2HB ALA 18 16.815 -11.757 -1.293 134 3HB ALA 18 3HB ALA 18 16.133 -10.922 0.103 135 H SER 19 H SER 19 16.207 -7.404 -2.375 136 HA SER 19 HA SER 19 15.845 -6.589 -4.567 137 1HB SER 19 1HB SER 19 18.099 -8.157 -4.613 138 2HB SER 19 2HB SER 19 17.101 -8.944 -5.832 139 HG SER 19 HG SER 19 17.108 -7.144 -7.021 140 H ASP 20 H ASP 20 13.641 -7.748 -3.580 141 HA ASP 20 HA ASP 20 11.643 -8.859 -4.179 142 1HB ASP 20 1HB ASP 20 13.076 -8.152 -6.713 143 2HB ASP 20 2HB ASP 20 11.630 -9.157 -6.825 144 H LYS 21 H LYS 21 13.094 -10.713 -3.031 145 HA LYS 21 HA LYS 21 12.850 -13.092 -4.798 146 1HB LYS 21 1HB LYS 21 15.333 -12.100 -3.382 147 2HB LYS 21 2HB LYS 21 15.164 -13.769 -3.929 148 1HG LYS 21 1HG LYS 21 14.430 -12.512 -6.191 149 2HG LYS 21 2HG LYS 21 15.497 -11.277 -5.523 150 1HD LYS 21 1HD LYS 21 17.082 -13.374 -5.105 151 2HD LYS 21 2HD LYS 21 16.145 -14.048 -6.440 152 1HE LYS 21 1HE LYS 21 17.198 -11.256 -6.736 153 2HE LYS 21 2HE LYS 21 18.326 -12.612 -6.938 154 1HZ LYS 21 1HZ LYS 21 16.456 -13.626 -8.339 155 2HZ LYS 21 2HZ LYS 21 15.836 -12.045 -8.424 156 3HZ LYS 21 3HZ LYS 21 17.381 -12.383 -9.037 157 HA PRO 22 HA PRO 22 11.263 -14.631 -1.003 158 1HB PRO 22 1HB PRO 22 11.391 -17.346 -1.623 159 2HB PRO 22 2HB PRO 22 10.065 -16.261 -2.079 160 1HG PRO 22 1HG PRO 22 12.345 -17.245 -3.695 161 2HG PRO 22 2HG PRO 22 10.683 -16.881 -4.182 162 1HD PRO 22 1HD PRO 22 12.763 -15.248 -4.741 163 2HD PRO 22 2HD PRO 22 11.113 -14.647 -4.471 164 H TYR 23 H TYR 23 14.402 -14.967 -2.078 165 HA TYR 23 HA TYR 23 15.231 -16.287 0.489 166 1HB TYR 23 1HB TYR 23 16.596 -16.556 -2.205 167 2HB TYR 23 2HB TYR 23 16.894 -17.511 -0.752 168 HD1 TYR 23 HD1 TYR 23 14.225 -18.151 0.219 169 HD2 TYR 23 HD2 TYR 23 15.697 -18.009 -3.814 170 HE1 TYR 23 HE1 TYR 23 12.473 -19.762 -0.477 171 HE2 TYR 23 HE2 TYR 23 13.944 -19.619 -4.510 172 HH TYR 23 HH TYR 23 11.327 -20.193 -3.139 173 H ILE 24 H ILE 24 17.176 -15.413 1.411 174 HA ILE 24 HA ILE 24 18.294 -12.998 0.038 175 HB ILE 24 HB ILE 24 16.457 -12.773 1.944 176 1HG1 ILE 24 1HG1 ILE 24 17.934 -10.998 0.765 177 2HG1 ILE 24 2HG1 ILE 24 17.226 -10.579 2.323 178 1HG2 ILE 24 1HG2 ILE 24 17.668 -14.181 3.574 179 2HG2 ILE 24 2HG2 ILE 24 19.023 -13.053 3.537 180 3HG2 ILE 24 3HG2 ILE 24 17.463 -12.536 4.176 181 1HD1 ILE 24 1HD1 ILE 24 19.364 -11.284 3.425 182 2HD1 ILE 24 2HD1 ILE 24 20.060 -11.532 1.824 183 3HD1 ILE 24 3HD1 ILE 24 19.565 -9.918 2.328 184 H LEU 25 H LEU 25 20.526 -12.692 0.401 185 HA LEU 25 HA LEU 25 22.025 -15.024 1.331 186 1HB LEU 25 1HB LEU 25 22.744 -12.261 0.308 187 2HB LEU 25 2HB LEU 25 23.946 -13.497 0.679 188 HG LEU 25 HG LEU 25 22.106 -14.849 -0.902 189 1HD1 LEU 25 1HD1 LEU 25 22.269 -11.956 -1.654 190 2HD1 LEU 25 2HD1 LEU 25 22.242 -13.154 -2.946 191 3HD1 LEU 25 3HD1 LEU 25 20.911 -13.073 -1.792 192 1HD2 LEU 25 1HD2 LEU 25 24.761 -14.549 -0.845 193 2HD2 LEU 25 2HD2 LEU 25 23.941 -15.169 -2.278 194 3HD2 LEU 25 3HD2 LEU 25 24.424 -13.475 -2.201 195 H ALA 26 H ALA 26 23.533 -14.981 3.108 196 HA ALA 26 HA ALA 26 22.618 -13.643 5.482 197 1HB ALA 26 1HB ALA 26 24.959 -15.304 4.617 198 2HB ALA 26 2HB ALA 26 23.753 -15.640 5.858 199 3HB ALA 26 3HB ALA 26 25.046 -14.483 6.175 200 H GLU 27 H GLU 27 25.433 -13.061 3.346 201 HA GLU 27 HA GLU 27 26.551 -10.875 4.790 202 1HB GLU 27 1HB GLU 27 27.688 -12.067 2.995 203 2HB GLU 27 2HB GLU 27 26.470 -11.547 1.831 204 1HG GLU 27 1HG GLU 27 27.469 -9.224 3.164 205 2HG GLU 27 2HG GLU 27 28.850 -10.177 2.619 206 H GLU 28 H GLU 28 23.967 -11.010 2.353 207 HA GLU 28 HA GLU 28 23.639 -8.222 1.893 208 1HB GLU 28 1HB GLU 28 21.994 -10.712 1.745 209 2HB GLU 28 2HB GLU 28 21.136 -9.175 1.651 210 1HG GLU 28 1HG GLU 28 23.451 -8.979 -0.007 211 2HG GLU 28 2HG GLU 28 22.628 -10.488 -0.404 212 H LEU 29 H LEU 29 22.379 -10.349 4.446 213 HA LEU 29 HA LEU 29 20.632 -8.489 5.724 214 1HB LEU 29 1HB LEU 29 22.208 -10.933 6.508 215 2HB LEU 29 2HB LEU 29 21.310 -10.043 7.737 216 HG LEU 29 HG LEU 29 20.103 -11.094 5.162 217 1HD1 LEU 29 1HD1 LEU 29 20.892 -12.817 6.899 218 2HD1 LEU 29 2HD1 LEU 29 19.649 -12.148 7.958 219 3HD1 LEU 29 3HD1 LEU 29 19.195 -12.892 6.425 220 1HD2 LEU 29 1HD2 LEU 29 18.976 -9.752 7.635 221 2HD2 LEU 29 2HD2 LEU 29 18.872 -9.190 5.966 222 3HD2 LEU 29 3HD2 LEU 29 17.970 -10.619 6.473 223 H ARG 30 H ARG 30 24.122 -9.102 6.067 224 HA ARG 30 HA ARG 30 24.548 -7.350 8.315 225 1HB ARG 30 1HB ARG 30 26.340 -8.356 6.080 226 2HB ARG 30 2HB ARG 30 26.922 -7.593 7.559 227 1HG ARG 30 1HG ARG 30 26.018 -9.363 8.921 228 2HG ARG 30 2HG ARG 30 25.169 -10.062 7.543 229 1HD ARG 30 1HD ARG 30 27.013 -11.407 7.371 230 2HD ARG 30 2HD ARG 30 27.779 -9.985 6.635 231 HE ARG 30 HE ARG 30 28.959 -9.630 8.657 232 1HH1 ARG 30 1HH1 ARG 30 26.315 -11.816 9.060 233 2HH1 ARG 30 2HH1 ARG 30 26.738 -12.230 10.687 234 1HH2 ARG 30 1HH2 ARG 30 29.518 -10.164 10.780 235 2HH2 ARG 30 2HH2 ARG 30 28.545 -11.295 11.660 236 H ARG 31 H ARG 31 24.531 -6.871 4.806 237 HA ARG 31 HA ARG 31 25.486 -4.091 5.025 238 1HB ARG 31 1HB ARG 31 25.753 -6.017 3.178 239 2HB ARG 31 2HB ARG 31 24.297 -5.249 2.544 240 1HG ARG 31 1HG ARG 31 25.426 -3.074 2.512 241 2HG ARG 31 2HG ARG 31 26.879 -3.802 3.199 242 1HD ARG 31 1HD ARG 31 26.711 -5.423 1.125 243 2HD ARG 31 2HD ARG 31 25.746 -4.103 0.432 244 HE ARG 31 HE ARG 31 28.606 -4.001 0.982 245 1HH1 ARG 31 1HH1 ARG 31 25.646 -2.229 0.786 246 2HH1 ARG 31 2HH1 ARG 31 26.424 -0.718 0.458 247 1HH2 ARG 31 1HH2 ARG 31 29.629 -2.035 0.550 248 2HH2 ARG 31 2HH2 ARG 31 28.675 -0.608 0.320 249 H GLU 32 H GLU 32 22.435 -5.781 4.898 250 HA GLU 32 HA GLU 32 20.972 -3.285 4.187 251 1HB GLU 32 1HB GLU 32 20.522 -6.216 4.137 252 2HB GLU 32 2HB GLU 32 19.099 -5.235 4.490 253 1HG GLU 32 1HG GLU 32 19.312 -5.586 2.066 254 2HG GLU 32 2HG GLU 32 19.541 -3.882 2.462 255 H LEU 33 H LEU 33 21.663 -5.366 6.923 256 HA LEU 33 HA LEU 33 19.802 -3.715 8.594 257 1HB LEU 33 1HB LEU 33 20.408 -6.629 8.364 258 2HB LEU 33 2HB LEU 33 20.046 -6.002 9.965 259 HG LEU 33 HG LEU 33 18.261 -5.198 7.708 260 1HD1 LEU 33 1HD1 LEU 33 18.759 -7.779 7.731 261 2HD1 LEU 33 2HD1 LEU 33 17.733 -7.773 9.166 262 3HD1 LEU 33 3HD1 LEU 33 17.091 -7.217 7.620 263 1HD2 LEU 33 1HD2 LEU 33 18.177 -4.501 10.236 264 2HD2 LEU 33 2HD2 LEU 33 16.676 -4.917 9.412 265 3HD2 LEU 33 3HD2 LEU 33 17.458 -6.093 10.467 266 HA PRO 34 HA PRO 34 23.244 -2.641 11.074 267 1HB PRO 34 1HB PRO 34 21.711 -3.438 13.500 268 2HB PRO 34 2HB PRO 34 22.448 -1.875 13.097 269 1HG PRO 34 1HG PRO 34 19.803 -2.281 12.982 270 2HG PRO 34 2HG PRO 34 20.649 -1.184 11.878 271 1HD PRO 34 1HD PRO 34 19.501 -3.860 11.360 272 2HD PRO 34 2HD PRO 34 19.734 -2.492 10.254 273 HA PRO 35 HA PRO 35 25.453 -6.189 12.356 274 1HB PRO 35 1HB PRO 35 26.261 -5.708 14.973 275 2HB PRO 35 2HB PRO 35 27.082 -5.082 13.529 276 1HG PRO 35 1HG PRO 35 25.193 -3.726 15.370 277 2HG PRO 35 2HG PRO 35 26.594 -3.077 14.503 278 1HD PRO 35 1HD PRO 35 24.047 -2.613 13.725 279 2HD PRO 35 2HD PRO 35 25.402 -2.707 12.580 280 H ASP 36 H ASP 36 23.486 -5.108 15.150 281 HA ASP 36 HA ASP 36 23.084 -7.724 16.257 282 1HB ASP 36 1HB ASP 36 21.945 -4.979 16.504 283 2HB ASP 36 2HB ASP 36 20.990 -6.304 17.169 284 H GLN 37 H GLN 37 21.122 -5.773 13.986 285 HA GLN 37 HA GLN 37 18.911 -7.622 13.876 286 1HB GLN 37 1HB GLN 37 19.845 -5.141 12.660 287 2HB GLN 37 2HB GLN 37 19.010 -6.168 11.494 288 1HG GLN 37 1HG GLN 37 17.257 -4.932 12.459 289 2HG GLN 37 2HG GLN 37 17.220 -6.447 13.361 290 2HE2 GLN 37 2HE2 GLN 37 18.435 -6.426 15.510 291 1HE2 GLN 37 1HE2 GLN 37 18.503 -4.968 16.378 292 H ALA 38 H ALA 38 21.815 -7.173 11.848 293 HA ALA 38 HA ALA 38 21.121 -9.127 9.858 294 1HB ALA 38 1HB ALA 38 23.721 -7.940 10.867 295 2HB ALA 38 2HB ALA 38 23.636 -8.999 9.457 296 3HB ALA 38 3HB ALA 38 22.795 -7.448 9.448 297 H GLN 39 H GLN 39 22.993 -9.344 12.889 298 HA GLN 39 HA GLN 39 23.829 -12.074 12.571 299 1HB GLN 39 1HB GLN 39 24.478 -10.086 14.205 300 2HB GLN 39 2HB GLN 39 23.263 -10.834 15.241 301 1HG GLN 39 1HG GLN 39 24.440 -12.998 15.064 302 2HG GLN 39 2HG GLN 39 25.661 -12.246 14.036 303 2HE2 GLN 39 2HE2 GLN 39 25.550 -13.356 17.020 304 1HE2 GLN 39 1HE2 GLN 39 26.392 -12.155 17.875 305 H TYR 40 H TYR 40 21.088 -10.653 14.397 306 HA TYR 40 HA TYR 40 19.998 -13.114 15.345 307 1HB TYR 40 1HB TYR 40 19.528 -10.419 15.602 308 2HB TYR 40 2HB TYR 40 18.119 -10.937 14.678 309 HD1 TYR 40 HD1 TYR 40 16.549 -12.601 15.589 310 HD2 TYR 40 HD2 TYR 40 19.908 -11.201 17.872 311 HE1 TYR 40 HE1 TYR 40 15.543 -13.546 17.648 312 HE2 TYR 40 HE2 TYR 40 18.902 -12.147 19.932 313 HH TYR 40 HH TYR 40 17.256 -13.983 20.498 314 H CYS 41 H CYS 41 19.209 -11.208 12.414 315 HA CYS 41 HA CYS 41 17.115 -12.874 11.440 316 1HB CYS 41 1HB CYS 41 19.159 -11.059 10.139 317 2HB CYS 41 2HB CYS 41 17.840 -11.799 9.232 318 HG CYS 41 HG CYS 41 17.535 -9.342 10.856 319 H ILE 42 H ILE 42 20.632 -12.970 10.790 320 HA ILE 42 HA ILE 42 20.610 -15.108 8.906 321 HB ILE 42 HB ILE 42 22.614 -14.091 10.935 322 1HG1 ILE 42 1HG1 ILE 42 22.599 -13.850 7.916 323 2HG1 ILE 42 2HG1 ILE 42 21.825 -12.661 8.966 324 1HG2 ILE 42 1HG2 ILE 42 22.679 -16.503 9.291 325 2HG2 ILE 42 2HG2 ILE 42 24.010 -15.410 8.913 326 3HG2 ILE 42 3HG2 ILE 42 23.786 -15.987 10.564 327 1HD1 ILE 42 1HD1 ILE 42 24.703 -13.485 9.362 328 2HD1 ILE 42 2HD1 ILE 42 24.256 -12.183 8.258 329 3HD1 ILE 42 3HD1 ILE 42 23.880 -12.050 9.977 330 H LYS 43 H LYS 43 20.568 -15.116 12.450 331 HA LYS 43 HA LYS 43 21.069 -17.975 12.702 332 1HB LYS 43 1HB LYS 43 21.278 -15.844 14.327 333 2HB LYS 43 2HB LYS 43 19.671 -16.388 14.809 334 1HG LYS 43 1HG LYS 43 20.512 -18.156 15.930 335 2HG LYS 43 2HG LYS 43 21.527 -18.619 14.564 336 1HD LYS 43 1HD LYS 43 23.124 -16.786 15.224 337 2HD LYS 43 2HD LYS 43 22.157 -16.544 16.680 338 1HE LYS 43 1HE LYS 43 23.582 -18.100 17.582 339 2HE LYS 43 2HE LYS 43 22.547 -19.267 16.735 340 1HZ LYS 43 1HZ LYS 43 23.941 -19.018 14.770 341 2HZ LYS 43 2HZ LYS 43 24.953 -17.935 15.602 342 3HZ LYS 43 3HZ LYS 43 24.862 -19.556 16.092 343 H ARG 44 H ARG 44 18.244 -15.965 12.219 344 HA ARG 44 HA ARG 44 16.335 -18.040 13.053 345 1HB ARG 44 1HB ARG 44 16.067 -15.373 11.629 346 2HB ARG 44 2HB ARG 44 14.713 -16.324 12.242 347 1HG ARG 44 1HG ARG 44 16.791 -15.943 14.259 348 2HG ARG 44 2HG ARG 44 16.138 -14.411 13.676 349 1HD ARG 44 1HD ARG 44 14.223 -14.737 14.839 350 2HD ARG 44 2HD ARG 44 13.994 -16.326 14.083 351 HE ARG 44 HE ARG 44 16.039 -16.782 15.875 352 1HH1 ARG 44 1HH1 ARG 44 12.896 -15.360 16.053 353 2HH1 ARG 44 2HH1 ARG 44 12.635 -15.828 17.699 354 1HH2 ARG 44 1HH2 ARG 44 15.711 -17.395 18.024 355 2HH2 ARG 44 2HH2 ARG 44 14.227 -16.978 18.815 356 H MET 45 H MET 45 16.857 -16.320 9.952 357 HA MET 45 HA MET 45 15.405 -17.698 8.132 358 1HB MET 45 1HB MET 45 17.695 -16.111 8.163 359 2HB MET 45 2HB MET 45 18.199 -17.556 7.287 360 1HG MET 45 1HG MET 45 16.872 -17.079 5.506 361 2HG MET 45 2HG MET 45 15.533 -16.568 6.534 362 1HE MET 45 1HE MET 45 15.436 -14.794 7.852 363 2HE MET 45 2HE MET 45 16.817 -13.765 8.222 364 3HE MET 45 3HE MET 45 15.560 -13.179 7.136 365 HA PRO 46 HA PRO 46 16.769 -21.899 9.161 366 1HB PRO 46 1HB PRO 46 14.793 -22.985 7.441 367 2HB PRO 46 2HB PRO 46 14.691 -22.836 9.205 368 1HG PRO 46 1HG PRO 46 13.523 -21.137 7.097 369 2HG PRO 46 2HG PRO 46 12.956 -21.455 8.743 370 1HD PRO 46 1HD PRO 46 14.075 -19.109 8.021 371 2HD PRO 46 2HD PRO 46 14.254 -19.791 9.653 372 H ALA 47 H ALA 47 16.418 -23.782 6.980 373 HA ALA 47 HA ALA 47 18.465 -22.684 5.107 374 1HB ALA 47 1HB ALA 47 18.644 -24.853 6.537 375 2HB ALA 47 2HB ALA 47 17.544 -25.548 5.346 376 3HB ALA 47 3HB ALA 47 19.121 -24.941 4.841 377 H TYR 48 H TYR 48 17.787 -22.080 3.101 378 HA TYR 48 HA TYR 48 15.136 -22.255 2.132 379 1HB TYR 48 1HB TYR 48 16.668 -20.685 1.200 380 2HB TYR 48 2HB TYR 48 17.854 -21.942 0.845 381 HD1 TYR 48 HD1 TYR 48 18.074 -21.648 -1.520 382 HD2 TYR 48 HD2 TYR 48 14.196 -22.173 0.249 383 HE1 TYR 48 HE1 TYR 48 17.086 -21.945 -3.776 384 HE2 TYR 48 HE2 TYR 48 13.207 -22.470 -2.006 385 HH TYR 48 HH TYR 48 14.654 -23.308 -4.550 386 H SER 49 H SER 49 17.681 -23.869 0.276 387 HA SER 49 HA SER 49 16.126 -26.427 0.398 388 1HB SER 49 1HB SER 49 16.192 -24.566 -1.714 389 2HB SER 49 2HB SER 49 17.255 -25.876 -2.221 390 HG SER 49 HG SER 49 14.679 -25.868 -2.351 391 H GLY 50 H GLY 50 17.435 -28.296 0.189 392 1HA GLY 50 1HA GLY 50 19.436 -29.482 0.605 393 2HA GLY 50 2HA GLY 50 20.264 -27.935 0.796 394 HA PRO 51 HA PRO 51 20.951 -29.438 -3.518 395 1HB PRO 51 1HB PRO 51 19.000 -30.795 -4.915 396 2HB PRO 51 2HB PRO 51 20.105 -31.565 -3.761 397 1HG PRO 51 1HG PRO 51 17.280 -30.723 -3.403 398 2HG PRO 51 2HG PRO 51 18.130 -32.139 -2.762 399 1HD PRO 51 1HD PRO 51 17.573 -29.940 -1.271 400 2HD PRO 51 2HD PRO 51 18.978 -30.988 -0.975 401 H GLY 52 H GLY 52 21.099 -27.890 -5.102 402 1HA GLY 52 1HA GLY 52 18.568 -26.571 -6.001 403 2HA GLY 52 2HA GLY 52 19.958 -26.821 -7.057 404 H SER 53 H SER 53 19.112 -25.239 -3.961 405 HA SER 53 HA SER 53 19.943 -22.678 -4.642 406 1HB SER 53 1HB SER 53 19.921 -22.328 -2.204 407 2HB SER 53 2HB SER 53 18.570 -23.340 -2.699 408 HG SER 53 HG SER 53 20.073 -23.988 -0.847 409 H VAL 54 H VAL 54 21.786 -21.982 -2.569 410 HA VAL 54 HA VAL 54 24.286 -23.427 -3.370 411 HB VAL 54 HB VAL 54 25.352 -21.245 -3.683 412 1HG1 VAL 54 1HG1 VAL 54 22.674 -21.456 -5.093 413 2HG1 VAL 54 2HG1 VAL 54 24.011 -20.432 -5.616 414 3HG1 VAL 54 3HG1 VAL 54 24.189 -22.186 -5.621 415 1HG2 VAL 54 1HG2 VAL 54 22.804 -20.333 -2.434 416 2HG2 VAL 54 2HG2 VAL 54 24.436 -19.683 -2.262 417 3HG2 VAL 54 3HG2 VAL 54 23.481 -19.301 -3.695 418 HA PRO 55 HA PRO 55 25.321 -23.093 0.867 419 1HB PRO 55 1HB PRO 55 28.008 -22.380 0.816 420 2HB PRO 55 2HB PRO 55 27.395 -24.025 0.561 421 1HG PRO 55 1HG PRO 55 28.281 -22.006 -1.423 422 2HG PRO 55 2HG PRO 55 28.454 -23.769 -1.444 423 1HD PRO 55 1HD PRO 55 26.626 -22.464 -2.946 424 2HD PRO 55 2HD PRO 55 26.352 -24.099 -2.305 425 H GLY 56 H GLY 56 23.986 -20.823 0.243 426 1HA GLY 56 1HA GLY 56 25.435 -18.370 0.559 427 2HA GLY 56 2HA GLY 56 24.836 -18.906 2.129 428 H ALA 57 H ALA 57 22.421 -20.142 1.087 429 HA ALA 57 HA ALA 57 20.900 -17.661 0.355 430 1HB ALA 57 1HB ALA 57 19.470 -19.442 -0.941 431 2HB ALA 57 2HB ALA 57 20.923 -20.433 -0.823 432 3HB ALA 57 3HB ALA 57 20.982 -18.879 -1.654 433 H LEU 58 H LEU 58 19.697 -17.260 2.180 434 HA LEU 58 HA LEU 58 18.416 -19.593 3.565 435 1HB LEU 58 1HB LEU 58 19.102 -16.809 4.563 436 2HB LEU 58 2HB LEU 58 18.474 -18.134 5.542 437 HG LEU 58 HG LEU 58 21.067 -18.293 3.988 438 1HD1 LEU 58 1HD1 LEU 58 20.575 -17.636 6.908 439 2HD1 LEU 58 2HD1 LEU 58 22.156 -17.999 6.214 440 3HD1 LEU 58 3HD1 LEU 58 21.275 -16.560 5.698 441 1HD2 LEU 58 1HD2 LEU 58 19.501 -20.087 5.771 442 2HD2 LEU 58 2HD2 LEU 58 20.573 -20.492 4.431 443 3HD2 LEU 58 3HD2 LEU 58 21.249 -20.082 6.007 444 H ASP 59 H ASP 59 16.203 -19.181 4.384 445 HA ASP 59 HA ASP 59 14.728 -17.238 2.639 446 1HB ASP 59 1HB ASP 59 12.797 -18.816 3.244 447 2HB ASP 59 2HB ASP 59 14.067 -19.500 2.233 448 H TYR 60 H TYR 60 14.322 -15.389 3.816 449 HA TYR 60 HA TYR 60 14.077 -15.372 6.718 450 1HB TYR 60 1HB TYR 60 13.498 -12.978 6.263 451 2HB TYR 60 2HB TYR 60 14.956 -13.483 5.411 452 HD1 TYR 60 HD1 TYR 60 15.099 -13.352 3.067 453 HD2 TYR 60 HD2 TYR 60 11.270 -13.053 4.985 454 HE1 TYR 60 HE1 TYR 60 14.063 -12.736 0.899 455 HE2 TYR 60 HE2 TYR 60 10.232 -12.437 2.819 456 HH TYR 60 HH TYR 60 11.690 -12.905 -0.115 457 H ALA 61 H ALA 61 11.890 -15.626 3.980 458 HA ALA 61 HA ALA 61 9.426 -14.870 5.148 459 1HB ALA 61 1HB ALA 61 10.272 -16.914 3.086 460 2HB ALA 61 2HB ALA 61 8.571 -16.643 3.466 461 3HB ALA 61 3HB ALA 61 9.551 -15.328 2.815 462 H ALA 62 H ALA 62 11.091 -18.040 5.178 463 HA ALA 62 HA ALA 62 9.102 -19.460 6.654 464 1HB ALA 62 1HB ALA 62 10.875 -20.603 5.490 465 2HB ALA 62 2HB ALA 62 12.107 -19.715 6.386 466 3HB ALA 62 3HB ALA 62 11.116 -20.921 7.208 467 H PHE 63 H PHE 63 11.711 -17.341 7.629 468 HA PHE 63 HA PHE 63 11.595 -17.913 10.467 469 1HB PHE 63 1HB PHE 63 13.584 -16.969 9.584 470 2HB PHE 63 2HB PHE 63 12.698 -15.727 8.698 471 HD1 PHE 63 HD1 PHE 63 13.974 -13.879 9.670 472 HD2 PHE 63 HD2 PHE 63 11.815 -16.642 12.150 473 HE1 PHE 63 HE1 PHE 63 14.210 -12.335 11.595 474 HE2 PHE 63 HE2 PHE 63 12.052 -15.098 14.076 475 HZ PHE 63 HZ PHE 63 13.250 -12.944 13.798 476 H SER 64 H SER 64 10.123 -15.434 8.364 477 HA SER 64 HA SER 64 8.924 -13.818 10.369 478 1HB SER 64 1HB SER 64 7.701 -12.933 8.543 479 2HB SER 64 2HB SER 64 9.166 -13.564 7.794 480 HG SER 64 HG SER 64 8.017 -15.038 6.819 481 H SER 65 H SER 65 7.629 -16.687 8.662 482 HA SER 65 HA SER 65 5.054 -16.721 9.878 483 1HB SER 65 1HB SER 65 5.915 -18.036 7.896 484 2HB SER 65 2HB SER 65 6.772 -19.074 9.033 485 HG SER 65 HG SER 65 4.208 -19.150 8.290 486 H ALA 66 H ALA 66 8.150 -18.149 10.925 487 HA ALA 66 HA ALA 66 7.006 -19.453 13.267 488 1HB ALA 66 1HB ALA 66 9.343 -19.964 13.726 489 2HB ALA 66 2HB ALA 66 9.067 -20.135 11.992 490 3HB ALA 66 3HB ALA 66 9.873 -18.697 12.619 491 H LEU 67 H LEU 67 8.813 -16.439 12.672 492 HA LEU 67 HA LEU 67 9.043 -15.642 15.427 493 1HB LEU 67 1HB LEU 67 10.397 -14.256 14.262 494 2HB LEU 67 2HB LEU 67 9.631 -14.709 12.751 495 HG LEU 67 HG LEU 67 7.838 -13.038 13.196 496 1HD1 LEU 67 1HD1 LEU 67 8.718 -13.177 15.801 497 2HD1 LEU 67 2HD1 LEU 67 9.404 -11.644 15.261 498 3HD1 LEU 67 3HD1 LEU 67 7.665 -11.916 15.162 499 1HD2 LEU 67 1HD2 LEU 67 9.904 -12.474 11.886 500 2HD2 LEU 67 2HD2 LEU 67 9.193 -11.078 12.695 501 3HD2 LEU 67 3HD2 LEU 67 10.626 -11.853 13.370 502 H TYR 68 H TYR 68 6.701 -14.826 12.878 503 HA TYR 68 HA TYR 68 4.990 -13.394 14.839 504 1HB TYR 68 1HB TYR 68 5.333 -13.598 11.891 505 2HB TYR 68 2HB TYR 68 3.696 -13.269 12.460 506 HD1 TYR 68 HD1 TYR 68 6.536 -11.689 11.338 507 HD2 TYR 68 HD2 TYR 68 3.782 -11.542 14.631 508 HE1 TYR 68 HE1 TYR 68 7.153 -9.322 11.748 509 HE2 TYR 68 HE2 TYR 68 4.398 -9.174 15.041 510 HH TYR 68 HH TYR 68 5.389 -7.329 14.006 511 H GLY 69 H GLY 69 5.421 -16.549 14.120 512 1HA GLY 69 1HA GLY 69 3.329 -17.962 13.318 513 2HA GLY 69 2HA GLY 69 2.579 -17.184 14.714 514 H GLU 70 H GLU 70 2.904 -18.119 16.701 515 HA GLU 70 HA GLU 70 4.950 -20.311 16.863 516 1HB GLU 70 1HB GLU 70 5.601 -18.296 18.109 517 2HB GLU 70 2HB GLU 70 4.046 -18.290 18.942 518 1HG GLU 70 1HG GLU 70 4.574 -20.154 20.233 519 2HG GLU 70 2HG GLU 70 5.757 -20.751 19.069 520 H SER 71 H SER 71 2.738 -21.387 16.069 521 HA SER 71 HA SER 71 1.243 -22.242 18.528 522 1HB SER 71 1HB SER 71 -0.310 -20.970 17.330 523 2HB SER 71 2HB SER 71 0.382 -21.415 15.772 524 HG SER 71 HG SER 71 -1.453 -22.597 15.949 525 H ASP 72 H ASP 72 1.536 -23.279 15.105 526 HA ASP 72 HA ASP 72 1.679 -26.105 16.020 527 1HB ASP 72 1HB ASP 72 0.108 -25.217 14.224 528 2HB ASP 72 2HB ASP 72 1.533 -24.960 13.217 529 H LEU 73 H LEU 73 3.569 -27.286 15.867 530 HA LEU 73 HA LEU 73 5.809 -26.225 14.206 531 1HB LEU 73 1HB LEU 73 5.667 -25.569 16.793 532 2HB LEU 73 2HB LEU 73 6.373 -27.175 16.987 533 HG LEU 73 HG LEU 73 8.131 -25.448 16.805 534 1HD1 LEU 73 1HD1 LEU 73 8.411 -27.784 15.857 535 2HD1 LEU 73 2HD1 LEU 73 8.022 -27.109 14.275 536 3HD1 LEU 73 3HD1 LEU 73 9.461 -26.562 15.138 537 1HD2 LEU 73 1HD2 LEU 73 6.384 -24.470 14.759 538 2HD2 LEU 73 2HD2 LEU 73 7.859 -23.728 15.376 539 3HD2 LEU 73 3HD2 LEU 73 7.938 -24.849 14.018 540 H GLY 7 H GLY 7 17.684 4.392 -2.502 541 1HA GLY 7 1HA GLY 7 15.176 5.264 -2.444 542 2HA GLY 7 2HA GLY 7 15.951 4.910 -0.898 543 H LYS 8 H LYS 8 13.671 4.447 -0.218 544 HA LYS 8 HA LYS 8 11.839 2.987 0.144 545 1HB LYS 8 1HB LYS 8 12.346 2.805 -2.507 546 2HB LYS 8 2HB LYS 8 12.707 1.146 -2.025 547 1HG LYS 8 1HG LYS 8 10.502 0.997 -0.910 548 2HG LYS 8 2HG LYS 8 10.137 2.644 -1.426 549 1HD LYS 8 1HD LYS 8 10.469 1.900 -3.805 550 2HD LYS 8 2HD LYS 8 10.622 0.245 -3.212 551 1HE LYS 8 1HE LYS 8 8.346 0.565 -2.093 552 2HE LYS 8 2HE LYS 8 8.194 2.053 -3.048 553 1HZ LYS 8 1HZ LYS 8 8.989 0.493 -4.960 554 2HZ LYS 8 2HZ LYS 8 8.361 -0.734 -3.966 555 3HZ LYS 8 3HZ LYS 8 7.353 0.519 -4.513 556 H LYS 9 H LYS 9 14.834 1.235 -0.803 557 HA LYS 9 HA LYS 9 14.408 -1.109 0.721 558 1HB LYS 9 1HB LYS 9 16.223 -0.386 -1.014 559 2HB LYS 9 2HB LYS 9 17.095 0.221 0.395 560 1HG LYS 9 1HG LYS 9 16.411 -2.228 1.313 561 2HG LYS 9 2HG LYS 9 16.518 -2.579 -0.412 562 1HD LYS 9 1HD LYS 9 18.693 -1.088 1.066 563 2HD LYS 9 2HD LYS 9 18.684 -2.847 0.929 564 1HE LYS 9 1HE LYS 9 18.242 -2.139 -1.676 565 2HE LYS 9 2HE LYS 9 19.288 -0.813 -1.132 566 1HZ LYS 9 1HZ LYS 9 19.830 -3.685 -0.605 567 2HZ LYS 9 2HZ LYS 9 20.536 -2.807 -1.877 568 3HZ LYS 9 3HZ LYS 9 20.854 -2.375 -0.265 569 H ALA 10 H ALA 10 15.635 2.074 1.686 570 HA ALA 10 HA ALA 10 16.574 1.329 4.303 571 1HB ALA 10 1HB ALA 10 17.232 3.486 4.143 572 2HB ALA 10 2HB ALA 10 15.552 4.018 4.182 573 3HB ALA 10 3HB ALA 10 16.318 3.628 2.641 574 H GLU 11 H GLU 11 13.426 2.437 3.067 575 HA GLU 11 HA GLU 11 12.110 2.706 5.607 576 1HB GLU 11 1HB GLU 11 11.475 3.501 3.227 577 2HB GLU 11 2HB GLU 11 10.834 1.875 2.995 578 1HG GLU 11 1HG GLU 11 9.299 2.141 4.841 579 2HG GLU 11 2HG GLU 11 10.037 3.677 5.296 580 H ALA 12 H ALA 12 12.387 -0.009 3.308 581 HA ALA 12 HA ALA 12 10.689 -1.848 4.694 582 1HB ALA 12 1HB ALA 12 11.188 -2.822 2.713 583 2HB ALA 12 2HB ALA 12 12.583 -1.766 2.494 584 3HB ALA 12 3HB ALA 12 12.748 -3.269 3.402 585 H VAL 13 H VAL 13 14.100 -0.992 5.083 586 HA VAL 13 HA VAL 13 14.859 -3.159 6.807 587 HB VAL 13 HB VAL 13 15.842 -0.304 6.495 588 1HG1 VAL 13 1HG1 VAL 13 16.453 -2.023 8.566 589 2HG1 VAL 13 2HG1 VAL 13 17.732 -2.364 7.402 590 3HG1 VAL 13 3HG1 VAL 13 17.494 -0.720 7.993 591 1HG2 VAL 13 1HG2 VAL 13 15.880 -2.413 4.698 592 2HG2 VAL 13 2HG2 VAL 13 16.978 -1.034 4.672 593 3HG2 VAL 13 3HG2 VAL 13 17.460 -2.531 5.473 594 H ALA 14 H ALA 14 13.594 0.112 7.481 595 HA ALA 14 HA ALA 14 13.788 0.065 10.313 596 1HB ALA 14 1HB ALA 14 13.170 1.932 8.637 597 2HB ALA 14 2HB ALA 14 11.527 1.299 8.730 598 3HB ALA 14 3HB ALA 14 12.314 1.928 10.178 599 H THR 15 H THR 15 11.225 -1.151 8.153 600 HA THR 15 HA THR 15 9.354 -1.863 10.213 601 HB THR 15 HB THR 15 9.886 -2.746 7.370 602 HG1 THR 15 HG1 THR 15 9.042 -0.639 7.836 603 1HG2 THR 15 1HG2 THR 15 7.916 -3.785 9.372 604 2HG2 THR 15 2HG2 THR 15 7.418 -3.636 7.687 605 3HG2 THR 15 3HG2 THR 15 8.794 -4.653 8.113 606 H VAL 16 H VAL 16 11.899 -3.740 8.537 607 HA VAL 16 HA VAL 16 11.379 -6.238 9.848 608 HB VAL 16 HB VAL 16 13.921 -5.046 8.691 609 1HG1 VAL 16 1HG1 VAL 16 13.132 -7.825 9.543 610 2HG1 VAL 16 2HG1 VAL 16 14.320 -7.586 8.261 611 3HG1 VAL 16 3HG1 VAL 16 14.627 -6.949 9.877 612 1HG2 VAL 16 1HG2 VAL 16 11.473 -6.295 7.534 613 2HG2 VAL 16 2HG2 VAL 16 12.530 -5.057 6.855 614 3HG2 VAL 16 3HG2 VAL 16 13.018 -6.751 6.815 615 H VAL 17 H VAL 17 13.615 -3.558 10.620 616 HA VAL 17 HA VAL 17 14.909 -4.735 12.857 617 HB VAL 17 HB VAL 17 14.180 -1.900 12.082 618 1HG1 VAL 17 1HG1 VAL 17 15.397 -2.954 14.564 619 2HG1 VAL 17 2HG1 VAL 17 16.291 -1.642 13.795 620 3HG1 VAL 17 3HG1 VAL 17 14.608 -1.405 14.267 621 1HG2 VAL 17 1HG2 VAL 17 15.880 -3.505 10.839 622 2HG2 VAL 17 2HG2 VAL 17 16.300 -1.816 11.121 623 3HG2 VAL 17 3HG2 VAL 17 16.942 -3.072 12.179 624 H ALA 18 H ALA 18 12.016 -2.613 12.782 625 HA ALA 18 HA ALA 18 11.462 -2.712 15.582 626 1HB ALA 18 1HB ALA 18 10.361 -1.677 13.165 627 2HB ALA 18 2HB ALA 18 9.069 -2.542 13.998 628 3HB ALA 18 3HB ALA 18 9.930 -1.239 14.818 629 H ALA 19 H ALA 19 10.203 -4.692 12.879 630 HA ALA 19 HA ALA 19 8.506 -6.375 14.460 631 1HB ALA 19 1HB ALA 19 8.285 -7.559 12.443 632 2HB ALA 19 2HB ALA 19 9.964 -7.273 11.983 633 3HB ALA 19 3HB ALA 19 8.785 -5.965 11.879 634 H VAL 20 H VAL 20 11.877 -6.804 13.331 635 HA VAL 20 HA VAL 20 12.300 -9.376 14.518 636 HB VAL 20 HB VAL 20 14.153 -7.068 13.840 637 1HG1 VAL 20 1HG1 VAL 20 14.807 -9.178 15.454 638 2HG1 VAL 20 2HG1 VAL 20 15.194 -9.833 13.862 639 3HG1 VAL 20 3HG1 VAL 20 15.955 -8.339 14.410 640 1HG2 VAL 20 1HG2 VAL 20 12.716 -8.222 12.034 641 2HG2 VAL 20 2HG2 VAL 20 14.454 -8.149 11.745 642 3HG2 VAL 20 3HG2 VAL 20 13.718 -9.645 12.321 643 H ASP 21 H ASP 21 12.924 -6.069 15.719 644 HA ASP 21 HA ASP 21 14.119 -6.765 18.208 645 1HB ASP 21 1HB ASP 21 13.903 -4.508 17.018 646 2HB ASP 21 2HB ASP 21 12.264 -4.432 17.667 647 H GLN 22 H GLN 22 10.698 -6.358 17.282 648 HA GLN 22 HA GLN 22 9.478 -6.566 19.818 649 1HB GLN 22 1HB GLN 22 8.735 -6.468 17.152 650 2HB GLN 22 2HB GLN 22 8.176 -8.066 17.646 651 1HG GLN 22 1HG GLN 22 6.599 -7.221 19.068 652 2HG GLN 22 2HG GLN 22 7.620 -5.868 19.557 653 2HE2 GLN 22 2HE2 GLN 22 4.868 -5.467 18.862 654 1HE2 GLN 22 1HE2 GLN 22 4.804 -4.568 17.424 655 H ALA 23 H ALA 23 10.648 -9.126 17.635 656 HA ALA 23 HA ALA 23 9.691 -11.384 19.085 657 1HB ALA 23 1HB ALA 23 10.897 -12.495 17.484 658 2HB ALA 23 2HB ALA 23 11.073 -10.888 16.779 659 3HB ALA 23 3HB ALA 23 12.353 -11.551 17.793 660 H ARG 24 H ARG 24 12.670 -9.462 19.414 661 HA ARG 24 HA ARG 24 14.003 -11.076 21.348 662 1HB ARG 24 1HB ARG 24 14.711 -8.984 19.954 663 2HB ARG 24 2HB ARG 24 14.047 -8.059 21.301 664 1HG ARG 24 1HG ARG 24 15.516 -9.379 22.851 665 2HG ARG 24 2HG ARG 24 16.262 -10.122 21.436 666 1HD ARG 24 1HD ARG 24 16.144 -7.189 21.257 667 2HD ARG 24 2HD ARG 24 17.135 -7.778 22.607 668 HE ARG 24 HE ARG 24 17.734 -8.147 19.779 669 1HH1 ARG 24 1HH1 ARG 24 18.002 -9.438 22.972 670 2HH1 ARG 24 2HH1 ARG 24 19.423 -10.362 22.617 671 1HH2 ARG 24 1HH2 ARG 24 19.584 -9.349 19.305 672 2HH2 ARG 24 2HH2 ARG 24 20.316 -10.313 20.544 673 H VAL 25 H VAL 25 11.713 -8.364 21.748 674 HA VAL 25 HA VAL 25 11.702 -8.449 24.637 675 HB VAL 25 HB VAL 25 9.837 -7.334 22.524 676 1HG1 VAL 25 1HG1 VAL 25 9.665 -7.367 25.503 677 2HG1 VAL 25 2HG1 VAL 25 9.250 -5.862 24.685 678 3HG1 VAL 25 3HG1 VAL 25 8.373 -7.344 24.304 679 1HG2 VAL 25 1HG2 VAL 25 12.368 -6.554 23.251 680 2HG2 VAL 25 2HG2 VAL 25 11.153 -5.476 22.567 681 3HG2 VAL 25 3HG2 VAL 25 11.373 -5.560 24.315 682 H ARG 26 H ARG 26 10.123 -10.273 22.160 683 HA ARG 26 HA ARG 26 8.571 -12.050 22.268 684 1HB ARG 26 1HB ARG 26 10.434 -12.566 24.011 685 2HB ARG 26 2HB ARG 26 9.223 -12.117 25.213 686 1HG ARG 26 1HG ARG 26 7.663 -13.774 24.010 687 2HG ARG 26 2HG ARG 26 9.115 -14.372 23.205 688 1HD ARG 26 1HD ARG 26 9.033 -14.105 26.215 689 2HD ARG 26 2HD ARG 26 8.407 -15.557 25.406 690 HE ARG 26 HE ARG 26 11.216 -14.786 25.575 691 1HH1 ARG 26 1HH1 ARG 26 8.775 -16.394 23.734 692 2HH1 ARG 26 2HH1 ARG 26 9.889 -17.458 22.945 693 1HH2 ARG 26 1HH2 ARG 26 12.677 -16.167 24.550 694 2HH2 ARG 26 2HH2 ARG 26 12.096 -17.330 23.405 695 H GLU 27 H GLU 27 7.387 -9.512 22.431 696 HA GLU 27 HA GLU 27 5.578 -9.374 24.735 697 1HB GLU 27 1HB GLU 27 6.498 -7.401 23.534 698 2HB GLU 27 2HB GLU 27 5.644 -7.907 22.076 699 1HG GLU 27 1HG GLU 27 3.500 -7.818 23.453 700 2HG GLU 27 2HG GLU 27 4.444 -7.004 24.701 701 HA PRO 28 HA PRO 28 2.927 -12.250 22.508 702 1HB PRO 28 1HB PRO 28 1.268 -12.810 24.607 703 2HB PRO 28 2HB PRO 28 2.840 -13.601 24.377 704 1HG PRO 28 1HG PRO 28 2.072 -11.424 26.233 705 2HG PRO 28 2HG PRO 28 3.238 -12.737 26.446 706 1HD PRO 28 1HD PRO 28 3.899 -10.129 25.851 707 2HD PRO 28 2HD PRO 28 4.936 -11.535 25.542 708 H ARG 29 H ARG 29 1.378 -10.176 24.994 709 HA ARG 29 HA ARG 29 -0.557 -9.281 22.881 710 1HB ARG 29 1HB ARG 29 -1.056 -10.714 25.136 711 2HB ARG 29 2HB ARG 29 -1.227 -9.075 25.766 712 1HG ARG 29 1HG ARG 29 -3.394 -9.576 25.002 713 2HG ARG 29 2HG ARG 29 -2.700 -8.661 23.662 714 1HD ARG 29 1HD ARG 29 -1.970 -10.964 22.715 715 2HD ARG 29 2HD ARG 29 -3.143 -11.643 23.861 716 HE ARG 29 HE ARG 29 -4.314 -9.430 22.442 717 1HH1 ARG 29 1HH1 ARG 29 -3.334 -12.727 22.128 718 2HH1 ARG 29 2HH1 ARG 29 -4.497 -13.091 20.897 719 1HH2 ARG 29 1HH2 ARG 29 -5.835 -9.893 20.838 720 2HH2 ARG 29 2HH2 ARG 29 -5.910 -11.488 20.167 No H/Q in entry = 720 Start of MODEL 16 1 H MET 1 H MET 1 1.193 -13.845 -1.013 2 HA MET 1 HA MET 1 -0.707 -15.272 -1.667 3 1HB MET 1 1HB MET 1 -0.349 -17.205 -0.061 4 2HB MET 1 2HB MET 1 1.133 -16.541 -0.749 5 1HG MET 1 1HG MET 1 0.408 -15.096 1.652 6 2HG MET 1 2HG MET 1 0.518 -16.825 1.985 7 1HE MET 1 1HE MET 1 2.391 -17.906 2.608 8 2HE MET 1 2HE MET 1 3.999 -17.204 2.768 9 3HE MET 1 3HE MET 1 2.638 -16.469 3.610 10 H ALA 2 H ALA 2 -1.890 -13.029 -0.318 11 HA ALA 2 HA ALA 2 -3.775 -12.450 1.000 12 1HB ALA 2 1HB ALA 2 -4.216 -14.867 -0.588 13 2HB ALA 2 2HB ALA 2 -5.262 -13.463 -0.381 14 3HB ALA 2 3HB ALA 2 -5.300 -14.773 0.799 15 H ASP 3 H ASP 3 -2.556 -12.503 3.057 16 HA ASP 3 HA ASP 3 -3.616 -14.567 4.894 17 1HB ASP 3 1HB ASP 3 -1.174 -14.917 3.639 18 2HB ASP 3 2HB ASP 3 -0.715 -14.191 5.181 19 H THR 4 H THR 4 -1.963 -13.961 7.079 20 HA THR 4 HA THR 4 -3.102 -11.678 8.228 21 HB THR 4 HB THR 4 -1.841 -13.432 9.415 22 HG1 THR 4 HG1 THR 4 -1.905 -11.654 10.627 23 1HG2 THR 4 1HG2 THR 4 -0.082 -13.693 7.663 24 2HG2 THR 4 2HG2 THR 4 0.614 -12.156 8.178 25 3HG2 THR 4 3HG2 THR 4 0.590 -13.529 9.285 26 H ASP 5 H ASP 5 -1.654 -9.692 8.944 27 HA ASP 5 HA ASP 5 -0.454 -8.547 6.453 28 1HB ASP 5 1HB ASP 5 -2.031 -7.541 8.785 29 2HB ASP 5 2HB ASP 5 -0.893 -6.424 8.029 30 H THR 6 H THR 6 0.113 -9.126 9.896 31 HA THR 6 HA THR 6 2.491 -7.583 10.227 32 HB THR 6 HB THR 6 1.933 -10.252 11.527 33 HG1 THR 6 HG1 THR 6 0.510 -7.841 11.663 34 1HG2 THR 6 1HG2 THR 6 3.954 -8.626 11.996 35 2HG2 THR 6 2HG2 THR 6 2.746 -7.717 12.905 36 3HG2 THR 6 3HG2 THR 6 3.104 -9.388 13.341 37 H ALA 7 H ALA 7 2.112 -11.060 9.424 38 HA ALA 7 HA ALA 7 4.936 -11.508 8.996 39 1HB ALA 7 1HB ALA 7 2.857 -13.086 9.453 40 2HB ALA 7 2HB ALA 7 4.221 -13.676 8.505 41 3HB ALA 7 3HB ALA 7 2.761 -13.116 7.692 42 H GLU 8 H GLU 8 2.182 -10.947 6.786 43 HA GLU 8 HA GLU 8 3.525 -11.162 4.314 44 1HB GLU 8 1HB GLU 8 1.022 -10.643 5.126 45 2HB GLU 8 2HB GLU 8 1.516 -8.993 4.746 46 1HG GLU 8 1HG GLU 8 0.542 -9.944 2.749 47 2HG GLU 8 2HG GLU 8 2.284 -9.826 2.493 48 H GLN 9 H GLN 9 3.351 -8.435 6.587 49 HA GLN 9 HA GLN 9 4.574 -6.449 4.937 50 1HB GLN 9 1HB GLN 9 3.358 -6.297 7.209 51 2HB GLN 9 2HB GLN 9 4.905 -6.739 7.929 52 1HG GLN 9 1HG GLN 9 5.050 -4.414 7.943 53 2HG GLN 9 2HG GLN 9 5.837 -4.798 6.412 54 2HE2 GLN 9 2HE2 GLN 9 4.967 -2.363 6.159 55 1HE2 GLN 9 1HE2 GLN 9 3.441 -2.229 5.426 56 H VAL 10 H VAL 10 6.001 -8.769 7.259 57 HA VAL 10 HA VAL 10 8.714 -7.936 7.011 58 HB VAL 10 HB VAL 10 7.642 -10.743 7.434 59 1HG1 VAL 10 1HG1 VAL 10 10.235 -9.373 7.795 60 2HG1 VAL 10 2HG1 VAL 10 9.718 -10.349 9.170 61 3HG1 VAL 10 3HG1 VAL 10 9.889 -11.089 7.579 62 1HG2 VAL 10 1HG2 VAL 10 7.526 -8.283 9.118 63 2HG2 VAL 10 2HG2 VAL 10 6.414 -9.650 9.050 64 3HG2 VAL 10 3HG2 VAL 10 7.936 -9.793 9.931 65 H ILE 11 H ILE 11 6.870 -10.410 5.201 66 HA ILE 11 HA ILE 11 8.980 -11.331 3.532 67 HB ILE 11 HB ILE 11 6.006 -11.025 2.998 68 1HG1 ILE 11 1HG1 ILE 11 7.601 -13.331 4.167 69 2HG1 ILE 11 2HG1 ILE 11 6.554 -12.252 5.089 70 1HG2 ILE 11 1HG2 ILE 11 7.570 -11.543 1.025 71 2HG2 ILE 11 2HG2 ILE 11 7.895 -13.076 1.833 72 3HG2 ILE 11 3HG2 ILE 11 6.257 -12.685 1.311 73 1HD1 ILE 11 1HD1 ILE 11 5.374 -13.586 2.697 74 2HD1 ILE 11 2HD1 ILE 11 5.665 -14.584 4.121 75 3HD1 ILE 11 3HD1 ILE 11 4.621 -13.168 4.236 76 H ALA 12 H ALA 12 6.541 -8.767 2.912 77 HA ALA 12 HA ALA 12 7.488 -7.964 0.355 78 1HB ALA 12 1HB ALA 12 6.493 -5.926 2.298 79 2HB ALA 12 2HB ALA 12 5.441 -7.305 1.979 80 3HB ALA 12 3HB ALA 12 5.953 -6.260 0.653 81 H SER 13 H SER 13 8.334 -6.723 3.607 82 HA SER 13 HA SER 13 10.303 -4.833 2.701 83 1HB SER 13 1HB SER 13 11.063 -5.299 5.193 84 2HB SER 13 2HB SER 13 9.515 -4.519 4.881 85 HG SER 13 HG SER 13 9.788 -6.584 6.296 86 H PHE 14 H PHE 14 10.431 -8.263 3.596 87 HA PHE 14 HA PHE 14 13.306 -8.522 3.541 88 1HB PHE 14 1HB PHE 14 10.885 -10.186 3.718 89 2HB PHE 14 2HB PHE 14 12.227 -10.992 2.904 90 HD1 PHE 14 HD1 PHE 14 10.773 -10.461 6.023 91 HD2 PHE 14 HD2 PHE 14 14.614 -10.474 4.102 92 HE1 PHE 14 HE1 PHE 14 11.867 -10.854 8.213 93 HE2 PHE 14 HE2 PHE 14 15.708 -10.867 6.292 94 HZ PHE 14 HZ PHE 14 14.334 -11.058 8.348 95 H ARG 15 H ARG 15 10.739 -9.102 1.124 96 HA ARG 15 HA ARG 15 12.303 -10.101 -1.002 97 1HB ARG 15 1HB ARG 15 9.750 -9.703 -0.719 98 2HB ARG 15 2HB ARG 15 10.078 -8.077 -1.319 99 1HG ARG 15 1HG ARG 15 10.288 -8.809 -3.442 100 2HG ARG 15 2HG ARG 15 11.379 -10.107 -2.954 101 1HD ARG 15 1HD ARG 15 9.571 -11.590 -2.471 102 2HD ARG 15 2HD ARG 15 8.384 -10.271 -2.512 103 HE ARG 15 HE ARG 15 9.687 -10.252 -5.014 104 1HH1 ARG 15 1HH1 ARG 15 7.720 -12.346 -3.095 105 2HH1 ARG 15 2HH1 ARG 15 7.003 -13.135 -4.460 106 1HH2 ARG 15 1HH2 ARG 15 8.759 -11.277 -6.800 107 2HH2 ARG 15 2HH2 ARG 15 7.591 -12.532 -6.554 108 H ILE 16 H ILE 16 11.537 -6.704 -0.182 109 HA ILE 16 HA ILE 16 13.047 -5.446 -2.242 110 HB ILE 16 HB ILE 16 12.274 -4.690 0.590 111 1HG1 ILE 16 1HG1 ILE 16 11.226 -3.845 -2.132 112 2HG1 ILE 16 2HG1 ILE 16 10.451 -5.013 -1.061 113 1HG2 ILE 16 1HG2 ILE 16 14.114 -3.369 -1.239 114 2HG2 ILE 16 2HG2 ILE 16 12.727 -2.346 -0.868 115 3HG2 ILE 16 3HG2 ILE 16 13.732 -2.974 0.437 116 1HD1 ILE 16 1HD1 ILE 16 10.452 -3.166 0.713 117 2HD1 ILE 16 2HD1 ILE 16 10.872 -2.057 -0.592 118 3HD1 ILE 16 3HD1 ILE 16 9.347 -2.941 -0.641 119 H LEU 17 H LEU 17 13.975 -6.450 1.055 120 HA LEU 17 HA LEU 17 16.671 -5.471 0.975 121 1HB LEU 17 1HB LEU 17 14.947 -7.229 2.595 122 2HB LEU 17 2HB LEU 17 16.658 -7.652 2.666 123 HG LEU 17 HG LEU 17 17.201 -5.297 3.229 124 1HD1 LEU 17 1HD1 LEU 17 14.639 -4.806 2.228 125 2HD1 LEU 17 2HD1 LEU 17 14.482 -4.544 3.965 126 3HD1 LEU 17 3HD1 LEU 17 15.681 -3.639 3.040 127 1HD2 LEU 17 1HD2 LEU 17 16.603 -7.109 4.959 128 2HD2 LEU 17 2HD2 LEU 17 16.526 -5.434 5.506 129 3HD2 LEU 17 3HD2 LEU 17 15.043 -6.296 5.097 130 H ALA 18 H ALA 18 15.190 -8.541 -0.015 131 HA ALA 18 HA ALA 18 17.758 -9.810 -0.630 132 1HB ALA 18 1HB ALA 18 16.074 -11.486 -1.679 133 2HB ALA 18 2HB ALA 18 14.828 -10.441 -0.996 134 3HB ALA 18 3HB ALA 18 15.994 -11.234 0.065 135 H SER 19 H SER 19 16.077 -7.371 -2.124 136 HA SER 19 HA SER 19 16.272 -6.436 -4.290 137 1HB SER 19 1HB SER 19 18.646 -7.407 -3.770 138 2HB SER 19 2HB SER 19 18.193 -8.674 -4.906 139 HG SER 19 HG SER 19 19.016 -6.175 -5.398 140 H ASP 20 H ASP 20 14.010 -7.425 -4.474 141 HA ASP 20 HA ASP 20 12.424 -8.801 -5.586 142 1HB ASP 20 1HB ASP 20 13.611 -7.253 -7.273 143 2HB ASP 20 2HB ASP 20 14.510 -8.686 -7.773 144 H LYS 21 H LYS 21 13.727 -10.483 -3.931 145 HA LYS 21 HA LYS 21 14.138 -12.913 -5.608 146 1HB LYS 21 1HB LYS 21 16.032 -11.624 -3.648 147 2HB LYS 21 2HB LYS 21 16.112 -13.359 -3.960 148 1HG LYS 21 1HG LYS 21 15.947 -12.297 -6.507 149 2HG LYS 21 2HG LYS 21 16.952 -11.119 -5.660 150 1HD LYS 21 1HD LYS 21 18.337 -13.063 -4.809 151 2HD LYS 21 2HD LYS 21 17.436 -14.098 -5.918 152 1HE LYS 21 1HE LYS 21 18.544 -11.625 -7.128 153 2HE LYS 21 2HE LYS 21 19.739 -12.839 -6.628 154 1HZ LYS 21 1HZ LYS 21 18.217 -14.516 -7.706 155 2HZ LYS 21 2HZ LYS 21 17.409 -13.206 -8.424 156 3HZ LYS 21 3HZ LYS 21 19.046 -13.484 -8.771 157 HA PRO 22 HA PRO 22 11.644 -14.507 -2.359 158 1HB PRO 22 1HB PRO 22 12.014 -17.209 -2.896 159 2HB PRO 22 2HB PRO 22 10.853 -16.164 -3.737 160 1HG PRO 22 1HG PRO 22 13.541 -17.079 -4.592 161 2HG PRO 22 2HG PRO 22 12.082 -16.794 -5.553 162 1HD PRO 22 1HD PRO 22 14.167 -15.074 -5.516 163 2HD PRO 22 2HD PRO 22 12.487 -14.547 -5.752 164 H TYR 23 H TYR 23 14.941 -14.599 -2.454 165 HA TYR 23 HA TYR 23 15.073 -15.853 0.256 166 1HB TYR 23 1HB TYR 23 16.943 -16.426 -2.065 167 2HB TYR 23 2HB TYR 23 17.019 -17.157 -0.461 168 HD1 TYR 23 HD1 TYR 23 14.605 -18.134 0.335 169 HD2 TYR 23 HD2 TYR 23 15.942 -17.707 -3.724 170 HE1 TYR 23 HE1 TYR 23 12.989 -19.874 -0.380 171 HE2 TYR 23 HE2 TYR 23 14.326 -19.447 -4.439 172 HH TYR 23 HH TYR 23 12.741 -20.854 -3.803 173 H ILE 24 H ILE 24 17.177 -15.281 1.349 174 HA ILE 24 HA ILE 24 18.360 -12.741 0.293 175 HB ILE 24 HB ILE 24 16.502 -12.865 2.271 176 1HG1 ILE 24 1HG1 ILE 24 17.673 -10.881 1.134 177 2HG1 ILE 24 2HG1 ILE 24 17.128 -10.637 2.792 178 1HG2 ILE 24 1HG2 ILE 24 19.196 -13.081 3.648 179 2HG2 ILE 24 2HG2 ILE 24 17.704 -12.582 4.446 180 3HG2 ILE 24 3HG2 ILE 24 17.850 -14.211 3.786 181 1HD1 ILE 24 1HD1 ILE 24 19.878 -11.716 2.445 182 2HD1 ILE 24 2HD1 ILE 24 19.625 -10.031 1.988 183 3HD1 ILE 24 3HD1 ILE 24 19.263 -10.564 3.629 184 H LEU 25 H LEU 25 20.596 -12.494 0.761 185 HA LEU 25 HA LEU 25 21.988 -14.983 1.561 186 1HB LEU 25 1HB LEU 25 22.835 -12.320 0.385 187 2HB LEU 25 2HB LEU 25 23.965 -13.628 0.738 188 HG LEU 25 HG LEU 25 21.602 -13.755 -1.157 189 1HD1 LEU 25 1HD1 LEU 25 24.509 -13.289 -1.441 190 2HD1 LEU 25 2HD1 LEU 25 23.833 -14.479 -2.555 191 3HD1 LEU 25 3HD1 LEU 25 23.187 -12.838 -2.518 192 1HD2 LEU 25 1HD2 LEU 25 23.084 -15.825 0.264 193 2HD2 LEU 25 2HD2 LEU 25 21.631 -15.974 -0.725 194 3HD2 LEU 25 3HD2 LEU 25 23.223 -16.012 -1.484 195 H ALA 26 H ALA 26 23.653 -14.944 3.219 196 HA ALA 26 HA ALA 26 22.956 -13.567 5.625 197 1HB ALA 26 1HB ALA 26 25.750 -14.424 5.371 198 2HB ALA 26 2HB ALA 26 24.492 -15.029 6.448 199 3HB ALA 26 3HB ALA 26 24.610 -15.641 4.798 200 H GLU 27 H GLU 27 25.391 -12.896 3.130 201 HA GLU 27 HA GLU 27 26.603 -10.649 4.497 202 1HB GLU 27 1HB GLU 27 26.876 -12.194 2.115 203 2HB GLU 27 2HB GLU 27 26.809 -10.499 1.640 204 1HG GLU 27 1HG GLU 27 29.016 -10.459 2.167 205 2HG GLU 27 2HG GLU 27 28.460 -10.413 3.841 206 H GLU 28 H GLU 28 23.918 -11.039 2.218 207 HA GLU 28 HA GLU 28 23.552 -8.290 1.523 208 1HB GLU 28 1HB GLU 28 22.569 -10.399 0.491 209 2HB GLU 28 2HB GLU 28 21.431 -10.434 1.837 210 1HG GLU 28 1HG GLU 28 20.385 -8.437 1.170 211 2HG GLU 28 2HG GLU 28 21.759 -7.938 0.183 212 H LEU 29 H LEU 29 21.903 -10.257 4.044 213 HA LEU 29 HA LEU 29 20.467 -8.013 5.150 214 1HB LEU 29 1HB LEU 29 19.971 -9.596 6.957 215 2HB LEU 29 2HB LEU 29 19.850 -10.415 5.401 216 HG LEU 29 HG LEU 29 22.432 -10.904 5.902 217 1HD1 LEU 29 1HD1 LEU 29 22.071 -9.584 8.124 218 2HD1 LEU 29 2HD1 LEU 29 21.270 -11.053 8.674 219 3HD1 LEU 29 3HD1 LEU 29 22.962 -11.104 8.182 220 1HD2 LEU 29 1HD2 LEU 29 20.004 -12.362 6.967 221 2HD2 LEU 29 2HD2 LEU 29 20.867 -12.666 5.459 222 3HD2 LEU 29 3HD2 LEU 29 21.625 -13.057 7.004 223 H ARG 30 H ARG 30 23.639 -9.453 5.754 224 HA ARG 30 HA ARG 30 24.224 -8.081 8.210 225 1HB ARG 30 1HB ARG 30 25.349 -10.079 6.957 226 2HB ARG 30 2HB ARG 30 26.258 -8.824 6.114 227 1HG ARG 30 1HG ARG 30 26.319 -8.124 8.853 228 2HG ARG 30 2HG ARG 30 26.654 -9.855 8.782 229 1HD ARG 30 1HD ARG 30 28.217 -9.034 6.734 230 2HD ARG 30 2HD ARG 30 28.271 -7.580 7.749 231 HE ARG 30 HE ARG 30 29.481 -8.820 9.353 232 1HH1 ARG 30 1HH1 ARG 30 27.783 -10.879 7.160 233 2HH1 ARG 30 2HH1 ARG 30 28.478 -12.334 7.790 234 1HH2 ARG 30 1HH2 ARG 30 30.391 -10.710 10.181 235 2HH2 ARG 30 2HH2 ARG 30 29.954 -12.239 9.496 236 H ARG 31 H ARG 31 24.578 -7.153 4.801 237 HA ARG 31 HA ARG 31 26.024 -4.676 5.507 238 1HB ARG 31 1HB ARG 31 25.776 -6.421 3.301 239 2HB ARG 31 2HB ARG 31 25.104 -4.876 2.776 240 1HG ARG 31 1HG ARG 31 27.475 -4.831 2.318 241 2HG ARG 31 2HG ARG 31 27.176 -3.761 3.688 242 1HD ARG 31 1HD ARG 31 28.099 -5.276 5.237 243 2HD ARG 31 2HD ARG 31 27.899 -6.659 4.141 244 HE ARG 31 HE ARG 31 29.554 -4.996 2.711 245 1HH1 ARG 31 1HH1 ARG 31 29.564 -6.237 5.935 246 2HH1 ARG 31 2HH1 ARG 31 31.289 -6.227 6.070 247 1HH2 ARG 31 1HH2 ARG 31 31.802 -4.976 2.880 248 2HH2 ARG 31 2HH2 ARG 31 32.554 -5.516 4.344 249 H GLU 32 H GLU 32 22.722 -5.644 5.075 250 HA GLU 32 HA GLU 32 21.918 -2.807 4.549 251 1HB GLU 32 1HB GLU 32 19.882 -3.785 3.699 252 2HB GLU 32 2HB GLU 32 21.228 -4.705 3.028 253 1HG GLU 32 1HG GLU 32 20.916 -6.230 5.111 254 2HG GLU 32 2HG GLU 32 19.325 -5.480 5.228 255 H LEU 33 H LEU 33 21.698 -5.402 6.906 256 HA LEU 33 HA LEU 33 19.793 -3.757 8.526 257 1HB LEU 33 1HB LEU 33 20.337 -6.644 8.085 258 2HB LEU 33 2HB LEU 33 19.890 -6.186 9.724 259 HG LEU 33 HG LEU 33 18.258 -4.978 7.565 260 1HD1 LEU 33 1HD1 LEU 33 18.277 -7.941 8.176 261 2HD1 LEU 33 2HD1 LEU 33 16.874 -7.126 7.486 262 3HD1 LEU 33 3HD1 LEU 33 18.399 -7.160 6.600 263 1HD2 LEU 33 1HD2 LEU 33 18.120 -5.481 10.365 264 2HD2 LEU 33 2HD2 LEU 33 16.938 -4.644 9.360 265 3HD2 LEU 33 3HD2 LEU 33 16.811 -6.386 9.608 266 HA PRO 34 HA PRO 34 22.938 -2.623 11.363 267 1HB PRO 34 1HB PRO 34 21.082 -3.547 13.507 268 2HB PRO 34 2HB PRO 34 21.888 -1.977 13.315 269 1HG PRO 34 1HG PRO 34 19.287 -2.300 12.806 270 2HG PRO 34 2HG PRO 34 20.299 -1.183 11.877 271 1HD PRO 34 1HD PRO 34 19.186 -3.814 11.090 272 2HD PRO 34 2HD PRO 34 19.576 -2.399 10.090 273 HA PRO 35 HA PRO 35 25.160 -6.371 11.959 274 1HB PRO 35 1HB PRO 35 26.345 -5.828 14.390 275 2HB PRO 35 2HB PRO 35 26.963 -5.237 12.835 276 1HG PRO 35 1HG PRO 35 25.346 -3.825 14.889 277 2HG PRO 35 2HG PRO 35 26.662 -3.217 13.871 278 1HD PRO 35 1HD PRO 35 24.051 -2.697 13.369 279 2HD PRO 35 2HD PRO 35 25.278 -2.818 12.089 280 H ASP 36 H ASP 36 23.316 -4.957 14.655 281 HA ASP 36 HA ASP 36 23.044 -7.357 16.207 282 1HB ASP 36 1HB ASP 36 22.622 -4.872 16.778 283 2HB ASP 36 2HB ASP 36 21.046 -5.097 16.019 284 H GLN 37 H GLN 37 20.932 -5.872 13.728 285 HA GLN 37 HA GLN 37 18.860 -7.870 13.902 286 1HB GLN 37 1HB GLN 37 19.705 -5.969 11.689 287 2HB GLN 37 2HB GLN 37 18.156 -6.809 11.762 288 1HG GLN 37 1HG GLN 37 19.115 -5.048 14.021 289 2HG GLN 37 2HG GLN 37 18.205 -4.398 12.658 290 2HE2 GLN 37 2HE2 GLN 37 17.128 -4.382 15.320 291 1HE2 GLN 37 1HE2 GLN 37 15.802 -5.439 15.363 292 H ALA 38 H ALA 38 21.683 -7.473 11.750 293 HA ALA 38 HA ALA 38 21.197 -9.615 9.968 294 1HB ALA 38 1HB ALA 38 23.707 -8.381 11.129 295 2HB ALA 38 2HB ALA 38 23.754 -9.570 9.827 296 3HB ALA 38 3HB ALA 38 22.946 -8.022 9.579 297 H GLN 39 H GLN 39 22.855 -9.640 13.136 298 HA GLN 39 HA GLN 39 23.569 -12.422 13.098 299 1HB GLN 39 1HB GLN 39 24.313 -10.395 14.574 300 2HB GLN 39 2HB GLN 39 22.922 -10.822 15.573 301 1HG GLN 39 1HG GLN 39 23.787 -13.060 15.921 302 2HG GLN 39 2HG GLN 39 25.105 -12.771 14.784 303 2HE2 GLN 39 2HE2 GLN 39 25.189 -13.368 17.776 304 1HE2 GLN 39 1HE2 GLN 39 26.098 -12.098 18.438 305 H TYR 40 H TYR 40 20.765 -10.697 14.492 306 HA TYR 40 HA TYR 40 19.484 -12.993 15.632 307 1HB TYR 40 1HB TYR 40 19.102 -10.217 15.374 308 2HB TYR 40 2HB TYR 40 17.675 -10.946 14.638 309 HD1 TYR 40 HD1 TYR 40 19.236 -10.019 17.705 310 HD2 TYR 40 HD2 TYR 40 16.526 -12.871 15.981 311 HE1 TYR 40 HE1 TYR 40 18.324 -10.515 19.958 312 HE2 TYR 40 HE2 TYR 40 15.616 -13.368 18.233 313 HH TYR 40 HH TYR 40 16.386 -13.202 20.605 314 H CYS 41 H CYS 41 19.000 -11.345 12.492 315 HA CYS 41 HA CYS 41 16.986 -13.128 11.500 316 1HB CYS 41 1HB CYS 41 19.039 -11.438 10.039 317 2HB CYS 41 2HB CYS 41 17.513 -12.019 9.374 318 HG CYS 41 HG CYS 41 17.630 -9.469 10.661 319 H ILE 42 H ILE 42 20.507 -12.991 10.798 320 HA ILE 42 HA ILE 42 20.719 -15.149 9.032 321 HB ILE 42 HB ILE 42 22.489 -14.038 11.211 322 1HG1 ILE 42 1HG1 ILE 42 22.762 -13.994 8.194 323 2HG1 ILE 42 2HG1 ILE 42 21.913 -12.744 9.103 324 1HG2 ILE 42 1HG2 ILE 42 22.820 -16.514 9.643 325 2HG2 ILE 42 2HG2 ILE 42 24.192 -15.408 9.552 326 3HG2 ILE 42 3HG2 ILE 42 23.637 -15.999 11.118 327 1HD1 ILE 42 1HD1 ILE 42 24.502 -13.300 10.289 328 2HD1 ILE 42 2HD1 ILE 42 24.669 -12.858 8.591 329 3HD1 ILE 42 3HD1 ILE 42 23.850 -11.767 9.707 330 H LYS 43 H LYS 43 20.220 -15.224 12.516 331 HA LYS 43 HA LYS 43 20.783 -18.106 12.726 332 1HB LYS 43 1HB LYS 43 20.769 -15.873 14.400 333 2HB LYS 43 2HB LYS 43 19.381 -16.818 14.941 334 1HG LYS 43 1HG LYS 43 20.717 -18.735 15.374 335 2HG LYS 43 2HG LYS 43 22.081 -18.086 14.463 336 1HD LYS 43 1HD LYS 43 22.233 -16.228 16.154 337 2HD LYS 43 2HD LYS 43 21.009 -17.067 17.107 338 1HE LYS 43 1HE LYS 43 22.447 -18.812 17.670 339 2HE LYS 43 2HE LYS 43 23.442 -18.593 16.216 340 1HZ LYS 43 1HZ LYS 43 24.098 -16.399 17.109 341 2HZ LYS 43 2HZ LYS 43 23.276 -16.762 18.551 342 3HZ LYS 43 3HZ LYS 43 24.621 -17.686 18.081 343 H ARG 44 H ARG 44 17.992 -16.006 12.342 344 HA ARG 44 HA ARG 44 16.020 -17.999 13.126 345 1HB ARG 44 1HB ARG 44 15.970 -15.351 11.661 346 2HB ARG 44 2HB ARG 44 14.503 -16.262 12.027 347 1HG ARG 44 1HG ARG 44 16.534 -15.474 14.130 348 2HG ARG 44 2HG ARG 44 15.108 -14.507 13.751 349 1HD ARG 44 1HD ARG 44 13.927 -16.925 14.072 350 2HD ARG 44 2HD ARG 44 15.296 -17.103 15.188 351 HE ARG 44 HE ARG 44 14.098 -14.503 15.499 352 1HH1 ARG 44 1HH1 ARG 44 13.663 -17.867 16.156 353 2HH1 ARG 44 2HH1 ARG 44 12.703 -17.597 17.571 354 1HH2 ARG 44 1HH2 ARG 44 12.848 -14.142 17.344 355 2HH2 ARG 44 2HH2 ARG 44 12.240 -15.493 18.242 356 H MET 45 H MET 45 16.333 -16.421 9.924 357 HA MET 45 HA MET 45 14.979 -18.440 8.479 358 1HB MET 45 1HB MET 45 16.102 -17.347 6.539 359 2HB MET 45 2HB MET 45 15.434 -16.175 7.671 360 1HG MET 45 1HG MET 45 17.689 -15.977 8.728 361 2HG MET 45 2HG MET 45 18.330 -17.056 7.491 362 1HE MET 45 1HE MET 45 15.952 -14.244 8.004 363 2HE MET 45 2HE MET 45 16.275 -13.039 6.749 364 3HE MET 45 3HE MET 45 15.414 -14.523 6.351 365 HA PRO 46 HA PRO 46 18.196 -21.508 8.694 366 1HB PRO 46 1HB PRO 46 16.769 -23.454 7.306 367 2HB PRO 46 2HB PRO 46 16.667 -23.180 9.055 368 1HG PRO 46 1HG PRO 46 14.831 -22.315 6.894 369 2HG PRO 46 2HG PRO 46 14.472 -22.816 8.554 370 1HD PRO 46 1HD PRO 46 14.434 -20.230 7.767 371 2HD PRO 46 2HD PRO 46 14.879 -20.728 9.414 372 H ALA 47 H ALA 47 18.476 -23.376 6.553 373 HA ALA 47 HA ALA 47 19.613 -21.593 4.485 374 1HB ALA 47 1HB ALA 47 19.764 -24.535 5.175 375 2HB ALA 47 2HB ALA 47 21.041 -23.324 5.296 376 3HB ALA 47 3HB ALA 47 20.504 -23.885 3.713 377 H TYR 48 H TYR 48 18.718 -21.358 2.460 378 HA TYR 48 HA TYR 48 16.058 -22.208 1.868 379 1HB TYR 48 1HB TYR 48 16.989 -20.287 0.798 380 2HB TYR 48 2HB TYR 48 18.397 -21.193 0.239 381 HD1 TYR 48 HD1 TYR 48 18.200 -20.888 -2.124 382 HD2 TYR 48 HD2 TYR 48 14.864 -22.349 0.154 383 HE1 TYR 48 HE1 TYR 48 17.008 -21.445 -4.226 384 HE2 TYR 48 HE2 TYR 48 13.672 -22.906 -1.948 385 HH TYR 48 HH TYR 48 14.743 -21.804 -5.014 386 H SER 49 H SER 49 16.299 -24.580 2.396 387 HA SER 49 HA SER 49 17.948 -26.333 0.817 388 1HB SER 49 1HB SER 49 16.331 -28.038 1.758 389 2HB SER 49 2HB SER 49 17.046 -26.979 2.968 390 HG SER 49 HG SER 49 14.512 -27.371 2.533 391 H GLY 50 H GLY 50 16.729 -28.136 -0.540 392 1HA GLY 50 1HA GLY 50 15.338 -26.726 -2.708 393 2HA GLY 50 2HA GLY 50 14.366 -27.946 -1.881 394 HA PRO 51 HA PRO 51 16.430 -30.603 -4.741 395 1HB PRO 51 1HB PRO 51 16.352 -29.623 -7.313 396 2HB PRO 51 2HB PRO 51 14.939 -30.285 -6.469 397 1HG PRO 51 1HG PRO 51 15.716 -27.458 -6.927 398 2HG PRO 51 2HG PRO 51 14.110 -28.202 -6.905 399 1HD PRO 51 1HD PRO 51 15.114 -26.734 -4.844 400 2HD PRO 51 2HD PRO 51 13.918 -28.030 -4.635 401 H GLY 52 H GLY 52 17.709 -27.374 -4.913 402 1HA GLY 52 1HA GLY 52 19.884 -27.279 -6.475 403 2HA GLY 52 2HA GLY 52 20.421 -28.488 -5.307 404 H SER 53 H SER 53 18.993 -25.206 -5.412 405 HA SER 53 HA SER 53 19.469 -23.315 -4.104 406 1HB SER 53 1HB SER 53 18.321 -24.502 -2.398 407 2HB SER 53 2HB SER 53 19.631 -25.665 -2.214 408 HG SER 53 HG SER 53 19.340 -23.105 -1.195 409 H VAL 54 H VAL 54 21.238 -22.560 -2.410 410 HA VAL 54 HA VAL 54 23.912 -23.687 -3.121 411 HB VAL 54 HB VAL 54 24.678 -21.406 -3.651 412 1HG1 VAL 54 1HG1 VAL 54 22.130 -22.217 -5.083 413 2HG1 VAL 54 2HG1 VAL 54 23.291 -21.040 -5.695 414 3HG1 VAL 54 3HG1 VAL 54 23.769 -22.725 -5.493 415 1HG2 VAL 54 1HG2 VAL 54 22.192 -20.734 -2.323 416 2HG2 VAL 54 2HG2 VAL 54 23.540 -19.680 -2.748 417 3HG2 VAL 54 3HG2 VAL 54 22.256 -19.987 -3.918 418 HA PRO 55 HA PRO 55 24.763 -22.597 1.042 419 1HB PRO 55 1HB PRO 55 27.515 -21.750 0.354 420 2HB PRO 55 2HB PRO 55 26.974 -23.122 1.338 421 1HG PRO 55 1HG PRO 55 28.006 -23.429 -1.121 422 2HG PRO 55 2HG PRO 55 26.767 -24.507 -0.460 423 1HD PRO 55 1HD PRO 55 26.506 -22.352 -2.488 424 2HD PRO 55 2HD PRO 55 25.627 -23.889 -2.343 425 H GLY 56 H GLY 56 23.986 -20.780 2.040 426 1HA GLY 56 1HA GLY 56 25.080 -18.133 1.166 427 2HA GLY 56 2HA GLY 56 24.723 -18.504 2.854 428 H ALA 57 H ALA 57 22.562 -19.774 0.471 429 HA ALA 57 HA ALA 57 20.741 -17.497 0.403 430 1HB ALA 57 1HB ALA 57 19.271 -19.306 -0.664 431 2HB ALA 57 2HB ALA 57 20.623 -20.410 -0.412 432 3HB ALA 57 3HB ALA 57 20.816 -19.004 -1.458 433 H LEU 58 H LEU 58 19.375 -16.976 2.064 434 HA LEU 58 HA LEU 58 18.531 -19.164 3.938 435 1HB LEU 58 1HB LEU 58 19.007 -16.198 4.379 436 2HB LEU 58 2HB LEU 58 18.440 -17.319 5.617 437 HG LEU 58 HG LEU 58 21.013 -17.745 4.085 438 1HD1 LEU 58 1HD1 LEU 58 20.392 -15.993 6.397 439 2HD1 LEU 58 2HD1 LEU 58 21.812 -17.025 6.578 440 3HD1 LEU 58 3HD1 LEU 58 21.711 -15.893 5.229 441 1HD2 LEU 58 1HD2 LEU 58 19.873 -18.870 6.664 442 2HD2 LEU 58 2HD2 LEU 58 20.075 -19.739 5.143 443 3HD2 LEU 58 3HD2 LEU 58 21.492 -19.214 6.052 444 H ASP 59 H ASP 59 16.334 -18.968 4.775 445 HA ASP 59 HA ASP 59 14.509 -17.524 2.892 446 1HB ASP 59 1HB ASP 59 14.403 -20.038 4.536 447 2HB ASP 59 2HB ASP 59 12.895 -19.251 4.069 448 H TYR 60 H TYR 60 13.839 -15.598 3.773 449 HA TYR 60 HA TYR 60 13.737 -15.193 6.684 450 1HB TYR 60 1HB TYR 60 13.085 -12.901 5.962 451 2HB TYR 60 2HB TYR 60 14.523 -13.464 5.109 452 HD1 TYR 60 HD1 TYR 60 14.551 -13.633 2.751 453 HD2 TYR 60 HD2 TYR 60 10.813 -13.170 4.815 454 HE1 TYR 60 HE1 TYR 60 13.393 -13.316 0.582 455 HE2 TYR 60 HE2 TYR 60 9.655 -12.853 2.645 456 HH TYR 60 HH TYR 60 11.462 -12.643 -0.388 457 H ALA 61 H ALA 61 11.506 -16.013 4.112 458 HA ALA 61 HA ALA 61 9.047 -15.117 5.192 459 1HB ALA 61 1HB ALA 61 9.660 -17.723 3.754 460 2HB ALA 61 2HB ALA 61 8.103 -16.895 3.792 461 3HB ALA 61 3HB ALA 61 9.471 -16.164 2.952 462 H ALA 62 H ALA 62 10.901 -18.083 5.868 463 HA ALA 62 HA ALA 62 8.994 -19.244 7.676 464 1HB ALA 62 1HB ALA 62 11.995 -19.576 7.760 465 2HB ALA 62 2HB ALA 62 11.031 -20.257 6.449 466 3HB ALA 62 3HB ALA 62 10.759 -20.784 8.109 467 H PHE 63 H PHE 63 11.593 -16.928 8.042 468 HA PHE 63 HA PHE 63 11.698 -16.934 10.929 469 1HB PHE 63 1HB PHE 63 13.526 -16.100 9.585 470 2HB PHE 63 2HB PHE 63 12.469 -14.942 8.777 471 HD1 PHE 63 HD1 PHE 63 13.636 -12.926 9.423 472 HD2 PHE 63 HD2 PHE 63 12.317 -15.743 12.386 473 HE1 PHE 63 HE1 PHE 63 14.088 -11.262 11.207 474 HE2 PHE 63 HE2 PHE 63 12.770 -14.080 14.169 475 HZ PHE 63 HZ PHE 63 13.656 -11.840 13.580 476 H SER 64 H SER 64 9.764 -15.164 8.538 477 HA SER 64 HA SER 64 8.702 -13.159 10.289 478 1HB SER 64 1HB SER 64 7.328 -12.694 8.456 479 2HB SER 64 2HB SER 64 8.651 -13.561 7.680 480 HG SER 64 HG SER 64 6.972 -14.691 6.988 481 H SER 65 H SER 65 7.344 -16.322 9.286 482 HA SER 65 HA SER 65 5.038 -16.166 11.011 483 1HB SER 65 1HB SER 65 5.069 -17.595 9.070 484 2HB SER 65 2HB SER 65 6.530 -18.410 9.622 485 HG SER 65 HG SER 65 4.905 -19.732 10.227 486 H ALA 66 H ALA 66 8.303 -17.501 11.391 487 HA ALA 66 HA ALA 66 7.816 -18.881 13.876 488 1HB ALA 66 1HB ALA 66 10.300 -18.901 13.941 489 2HB ALA 66 2HB ALA 66 9.690 -19.331 12.343 490 3HB ALA 66 3HB ALA 66 10.329 -17.715 12.636 491 H LEU 67 H LEU 67 9.202 -15.653 13.144 492 HA LEU 67 HA LEU 67 9.601 -14.943 15.913 493 1HB LEU 67 1HB LEU 67 10.494 -13.049 14.979 494 2HB LEU 67 2HB LEU 67 10.458 -14.030 13.523 495 HG LEU 67 HG LEU 67 8.085 -13.025 13.178 496 1HD1 LEU 67 1HD1 LEU 67 8.533 -11.972 15.656 497 2HD1 LEU 67 2HD1 LEU 67 9.047 -10.634 14.630 498 3HD1 LEU 67 3HD1 LEU 67 7.413 -11.277 14.485 499 1HD2 LEU 67 1HD2 LEU 67 10.718 -11.600 12.871 500 2HD2 LEU 67 2HD2 LEU 67 9.720 -12.358 11.631 501 3HD2 LEU 67 3HD2 LEU 67 9.225 -10.824 12.344 502 H TYR 68 H TYR 68 6.973 -14.412 13.609 503 HA TYR 68 HA TYR 68 5.374 -12.981 15.671 504 1HB TYR 68 1HB TYR 68 5.388 -13.335 12.708 505 2HB TYR 68 2HB TYR 68 3.825 -13.034 13.468 506 HD1 TYR 68 HD1 TYR 68 6.057 -11.324 11.705 507 HD2 TYR 68 HD2 TYR 68 4.479 -11.272 15.700 508 HE1 TYR 68 HE1 TYR 68 6.621 -8.916 11.898 509 HE2 TYR 68 HE2 TYR 68 5.042 -8.865 15.892 510 HH TYR 68 HH TYR 68 5.906 -6.959 13.205 511 H GLY 69 H GLY 69 5.961 -16.138 14.919 512 1HA GLY 69 1HA GLY 69 4.705 -18.132 15.053 513 2HA GLY 69 2HA GLY 69 3.241 -17.173 14.827 514 H GLU 70 H GLU 70 3.246 -19.227 16.695 515 HA GLU 70 HA GLU 70 3.537 -17.848 19.336 516 1HB GLU 70 1HB GLU 70 1.135 -19.187 18.079 517 2HB GLU 70 2HB GLU 70 1.248 -18.921 19.819 518 1HG GLU 70 1HG GLU 70 1.984 -16.469 18.695 519 2HG GLU 70 2HG GLU 70 0.630 -17.017 17.705 520 H SER 71 H SER 71 2.879 -20.943 17.664 521 HA SER 71 HA SER 71 3.567 -22.566 19.982 522 1HB SER 71 1HB SER 71 2.618 -22.853 17.228 523 2HB SER 71 2HB SER 71 3.740 -24.132 17.686 524 HG SER 71 HG SER 71 1.206 -23.927 18.319 525 H ASP 72 H ASP 72 5.665 -22.717 20.680 526 HA ASP 72 HA ASP 72 7.954 -22.027 19.056 527 1HB ASP 72 1HB ASP 72 7.417 -23.266 21.744 528 2HB ASP 72 2HB ASP 72 9.064 -23.247 21.114 529 H LEU 73 H LEU 73 8.493 -23.323 17.323 530 HA LEU 73 HA LEU 73 8.327 -26.294 17.668 531 1HB LEU 73 1HB LEU 73 7.062 -24.975 15.844 532 2HB LEU 73 2HB LEU 73 8.641 -24.730 15.097 533 HG LEU 73 HG LEU 73 8.956 -27.249 15.199 534 1HD1 LEU 73 1HD1 LEU 73 6.371 -26.967 16.521 535 2HD1 LEU 73 2HD1 LEU 73 6.296 -28.093 15.165 536 3HD1 LEU 73 3HD1 LEU 73 7.453 -28.358 16.469 537 1HD2 LEU 73 1HD2 LEU 73 7.820 -25.673 13.289 538 2HD2 LEU 73 2HD2 LEU 73 8.123 -27.396 13.074 539 3HD2 LEU 73 3HD2 LEU 73 6.522 -26.836 13.557 540 H GLY 7 H GLY 7 14.459 6.385 -1.556 541 1HA GLY 7 1HA GLY 7 13.068 4.902 -3.139 542 2HA GLY 7 2HA GLY 7 12.155 6.250 -2.459 543 H LYS 8 H LYS 8 13.278 3.234 -0.918 544 HA LYS 8 HA LYS 8 10.809 2.830 0.498 545 1HB LYS 8 1HB LYS 8 9.972 0.929 -0.897 546 2HB LYS 8 2HB LYS 8 9.955 2.465 -1.764 547 1HG LYS 8 1HG LYS 8 12.380 0.704 -1.944 548 2HG LYS 8 2HG LYS 8 10.962 0.326 -2.920 549 1HD LYS 8 1HD LYS 8 11.108 2.952 -3.436 550 2HD LYS 8 2HD LYS 8 12.814 2.654 -3.092 551 1HE LYS 8 1HE LYS 8 12.845 0.836 -4.770 552 2HE LYS 8 2HE LYS 8 11.132 1.138 -5.122 553 1HZ LYS 8 1HZ LYS 8 11.998 3.590 -5.321 554 2HZ LYS 8 2HZ LYS 8 13.467 2.822 -5.686 555 3HZ LYS 8 3HZ LYS 8 12.093 2.526 -6.641 556 H LYS 9 H LYS 9 13.759 1.452 -0.881 557 HA LYS 9 HA LYS 9 13.873 -1.004 0.532 558 1HB LYS 9 1HB LYS 9 15.401 0.316 -1.265 559 2HB LYS 9 2HB LYS 9 16.353 0.610 0.193 560 1HG LYS 9 1HG LYS 9 15.975 -1.974 0.589 561 2HG LYS 9 2HG LYS 9 15.708 -1.990 -1.154 562 1HD LYS 9 1HD LYS 9 18.086 -0.496 -0.149 563 2HD LYS 9 2HD LYS 9 18.157 -2.258 -0.104 564 1HE LYS 9 1HE LYS 9 18.118 -2.455 -2.412 565 2HE LYS 9 2HE LYS 9 17.167 -0.971 -2.623 566 1HZ LYS 9 1HZ LYS 9 19.986 -1.078 -1.684 567 2HZ LYS 9 2HZ LYS 9 19.500 -0.645 -3.250 568 3HZ LYS 9 3HZ LYS 9 19.066 0.329 -1.928 569 H ALA 10 H ALA 10 15.214 2.189 1.476 570 HA ALA 10 HA ALA 10 16.202 1.448 4.029 571 1HB ALA 10 1HB ALA 10 15.579 3.998 4.421 572 2HB ALA 10 2HB ALA 10 16.830 3.560 3.258 573 3HB ALA 10 3HB ALA 10 15.203 3.948 2.698 574 H GLU 11 H GLU 11 12.940 2.312 2.961 575 HA GLU 11 HA GLU 11 11.755 2.536 5.584 576 1HB GLU 11 1HB GLU 11 10.907 3.384 3.336 577 2HB GLU 11 2HB GLU 11 10.457 1.718 2.967 578 1HG GLU 11 1HG GLU 11 8.631 1.809 4.300 579 2HG GLU 11 2HG GLU 11 9.531 2.576 5.609 580 H ALA 12 H ALA 12 12.092 -0.147 3.259 581 HA ALA 12 HA ALA 12 10.542 -2.083 4.684 582 1HB ALA 12 1HB ALA 12 11.130 -2.460 2.404 583 2HB ALA 12 2HB ALA 12 12.843 -2.181 2.723 584 3HB ALA 12 3HB ALA 12 12.063 -3.650 3.313 585 H VAL 13 H VAL 13 13.947 -1.107 4.924 586 HA VAL 13 HA VAL 13 14.878 -3.203 6.622 587 HB VAL 13 HB VAL 13 15.662 -0.275 6.439 588 1HG1 VAL 13 1HG1 VAL 13 16.589 -2.387 8.130 589 2HG1 VAL 13 2HG1 VAL 13 17.854 -2.033 6.952 590 3HG1 VAL 13 3HG1 VAL 13 17.225 -0.749 7.984 591 1HG2 VAL 13 1HG2 VAL 13 15.629 -1.644 4.288 592 2HG2 VAL 13 2HG2 VAL 13 17.193 -0.949 4.717 593 3HG2 VAL 13 3HG2 VAL 13 16.875 -2.658 5.017 594 H ALA 14 H ALA 14 13.428 -0.028 7.398 595 HA ALA 14 HA ALA 14 13.660 -0.163 10.231 596 1HB ALA 14 1HB ALA 14 13.018 1.786 8.748 597 2HB ALA 14 2HB ALA 14 11.422 1.054 8.586 598 3HB ALA 14 3HB ALA 14 11.989 1.590 10.168 599 H THR 15 H THR 15 11.224 -1.494 8.018 600 HA THR 15 HA THR 15 9.337 -2.310 10.038 601 HB THR 15 HB THR 15 9.954 -3.166 7.200 602 HG1 THR 15 HG1 THR 15 9.101 -1.094 7.478 603 1HG2 THR 15 1HG2 THR 15 7.726 -4.045 9.049 604 2HG2 THR 15 2HG2 THR 15 7.661 -4.232 7.296 605 3HG2 THR 15 3HG2 THR 15 8.903 -5.070 8.227 606 H VAL 16 H VAL 16 11.890 -4.105 8.277 607 HA VAL 16 HA VAL 16 11.520 -6.611 9.586 608 HB VAL 16 HB VAL 16 13.918 -5.240 8.333 609 1HG1 VAL 16 1HG1 VAL 16 13.530 -8.098 9.255 610 2HG1 VAL 16 2HG1 VAL 16 14.782 -7.615 8.112 611 3HG1 VAL 16 3HG1 VAL 16 14.792 -6.973 9.755 612 1HG2 VAL 16 1HG2 VAL 16 11.843 -5.735 6.945 613 2HG2 VAL 16 2HG2 VAL 16 13.327 -6.493 6.367 614 3HG2 VAL 16 3HG2 VAL 16 12.139 -7.445 7.258 615 H VAL 17 H VAL 17 13.674 -3.866 10.374 616 HA VAL 17 HA VAL 17 15.007 -5.015 12.604 617 HB VAL 17 HB VAL 17 14.181 -2.199 11.855 618 1HG1 VAL 17 1HG1 VAL 17 15.229 -3.188 14.372 619 2HG1 VAL 17 2HG1 VAL 17 16.378 -2.091 13.606 620 3HG1 VAL 17 3HG1 VAL 17 14.733 -1.551 13.942 621 1HG2 VAL 17 1HG2 VAL 17 16.693 -3.864 11.607 622 2HG2 VAL 17 2HG2 VAL 17 15.784 -3.066 10.323 623 3HG2 VAL 17 3HG2 VAL 17 16.726 -2.106 11.464 624 H ALA 18 H ALA 18 12.016 -3.045 12.513 625 HA ALA 18 HA ALA 18 11.467 -3.071 15.306 626 1HB ALA 18 1HB ALA 18 10.394 -2.006 13.013 627 2HB ALA 18 2HB ALA 18 9.171 -3.199 13.451 628 3HB ALA 18 3HB ALA 18 9.619 -1.935 14.595 629 H ALA 19 H ALA 19 10.562 -5.361 12.728 630 HA ALA 19 HA ALA 19 8.872 -7.035 14.347 631 1HB ALA 19 1HB ALA 19 8.675 -7.241 12.010 632 2HB ALA 19 2HB ALA 19 10.422 -7.287 11.774 633 3HB ALA 19 3HB ALA 19 9.586 -8.690 12.439 634 H VAL 20 H VAL 20 12.340 -7.237 13.486 635 HA VAL 20 HA VAL 20 12.887 -9.686 14.864 636 HB VAL 20 HB VAL 20 14.584 -7.268 14.171 637 1HG1 VAL 20 1HG1 VAL 20 15.387 -10.064 15.029 638 2HG1 VAL 20 2HG1 VAL 20 16.497 -8.854 14.385 639 3HG1 VAL 20 3HG1 VAL 20 15.680 -8.574 15.923 640 1HG2 VAL 20 1HG2 VAL 20 13.438 -8.532 12.304 641 2HG2 VAL 20 2HG2 VAL 20 15.198 -8.545 12.210 642 3HG2 VAL 20 3HG2 VAL 20 14.337 -9.963 12.804 643 H ASP 21 H ASP 21 13.268 -6.275 15.910 644 HA ASP 21 HA ASP 21 14.300 -6.737 18.502 645 1HB ASP 21 1HB ASP 21 13.749 -4.584 17.060 646 2HB ASP 21 2HB ASP 21 12.236 -4.619 17.967 647 H GLN 22 H GLN 22 10.949 -6.783 17.327 648 HA GLN 22 HA GLN 22 9.637 -7.037 19.858 649 1HB GLN 22 1HB GLN 22 8.869 -6.652 17.328 650 2HB GLN 22 2HB GLN 22 8.628 -8.398 17.389 651 1HG GLN 22 1HG GLN 22 6.549 -7.503 18.077 652 2HG GLN 22 2HG GLN 22 7.346 -7.958 19.582 653 2HE2 GLN 22 2HE2 GLN 22 6.998 -5.100 17.405 654 1HE2 GLN 22 1HE2 GLN 22 7.027 -3.958 18.660 655 H ALA 23 H ALA 23 11.052 -9.429 17.646 656 HA ALA 23 HA ALA 23 10.076 -11.787 18.952 657 1HB ALA 23 1HB ALA 23 11.185 -12.701 17.199 658 2HB ALA 23 2HB ALA 23 11.639 -11.059 16.741 659 3HB ALA 23 3HB ALA 23 12.719 -12.024 17.747 660 H ARG 24 H ARG 24 13.030 -9.841 19.424 661 HA ARG 24 HA ARG 24 14.314 -11.584 21.288 662 1HB ARG 24 1HB ARG 24 15.877 -9.942 21.125 663 2HB ARG 24 2HB ARG 24 14.781 -9.159 19.995 664 1HG ARG 24 1HG ARG 24 13.864 -7.759 21.702 665 2HG ARG 24 2HG ARG 24 14.607 -8.716 22.985 666 1HD ARG 24 1HD ARG 24 16.869 -8.075 21.961 667 2HD ARG 24 2HD ARG 24 15.976 -6.860 21.024 668 HE ARG 24 HE ARG 24 15.018 -6.416 23.537 669 1HH1 ARG 24 1HH1 ARG 24 18.209 -6.853 22.276 670 2HH1 ARG 24 2HH1 ARG 24 18.954 -5.852 23.475 671 1HH2 ARG 24 1HH2 ARG 24 15.984 -5.106 25.095 672 2HH2 ARG 24 2HH2 ARG 24 17.699 -4.861 25.065 673 H VAL 25 H VAL 25 12.080 -8.841 21.803 674 HA VAL 25 HA VAL 25 12.081 -8.974 24.670 675 HB VAL 25 HB VAL 25 9.866 -8.059 22.818 676 1HG1 VAL 25 1HG1 VAL 25 10.248 -7.994 25.641 677 2HG1 VAL 25 2HG1 VAL 25 10.413 -6.342 25.048 678 3HG1 VAL 25 3HG1 VAL 25 8.944 -7.258 24.708 679 1HG2 VAL 25 1HG2 VAL 25 12.603 -7.007 23.295 680 2HG2 VAL 25 2HG2 VAL 25 11.555 -6.815 21.890 681 3HG2 VAL 25 3HG2 VAL 25 11.304 -5.816 23.322 682 H ARG 26 H ARG 26 10.451 -10.809 22.208 683 HA ARG 26 HA ARG 26 8.519 -11.985 24.124 684 1HB ARG 26 1HB ARG 26 8.618 -11.427 21.366 685 2HB ARG 26 2HB ARG 26 8.672 -13.185 21.478 686 1HG ARG 26 1HG ARG 26 6.678 -11.620 23.104 687 2HG ARG 26 2HG ARG 26 6.343 -12.019 21.418 688 1HD ARG 26 1HD ARG 26 7.161 -14.450 22.275 689 2HD ARG 26 2HD ARG 26 6.478 -13.816 23.786 690 HE ARG 26 HE ARG 26 4.596 -13.121 21.875 691 1HH1 ARG 26 1HH1 ARG 26 6.190 -16.028 22.849 692 2HH1 ARG 26 2HH1 ARG 26 4.857 -17.051 22.429 693 1HH2 ARG 26 1HH2 ARG 26 2.853 -14.447 21.325 694 2HH2 ARG 26 2HH2 ARG 26 2.971 -16.158 21.568 695 H GLU 27 H GLU 27 11.634 -12.392 23.938 696 HA GLU 27 HA GLU 27 11.657 -15.371 23.689 697 1HB GLU 27 1HB GLU 27 13.251 -14.225 22.300 698 2HB GLU 27 2HB GLU 27 13.767 -13.198 23.638 699 1HG GLU 27 1HG GLU 27 14.878 -14.973 24.730 700 2HG GLU 27 2HG GLU 27 14.033 -16.198 23.783 701 HA PRO 28 HA PRO 28 12.093 -15.511 28.072 702 1HB PRO 28 1HB PRO 28 12.851 -18.159 28.297 703 2HB PRO 28 2HB PRO 28 11.176 -17.624 28.052 704 1HG PRO 28 1HG PRO 28 13.135 -18.671 26.075 705 2HG PRO 28 2HG PRO 28 11.391 -18.957 26.200 706 1HD PRO 28 1HD PRO 28 12.454 -17.259 24.393 707 2HD PRO 28 2HD PRO 28 10.857 -16.998 25.127 708 H ARG 29 H ARG 29 13.945 -14.244 28.510 709 HA ARG 29 HA ARG 29 16.228 -13.781 28.937 710 1HB ARG 29 1HB ARG 29 15.574 -15.523 30.611 711 2HB ARG 29 2HB ARG 29 16.142 -16.764 29.494 712 1HG ARG 29 1HG ARG 29 18.394 -15.614 29.503 713 2HG ARG 29 2HG ARG 29 17.792 -14.588 30.806 714 1HD ARG 29 1HD ARG 29 18.034 -17.618 30.867 715 2HD ARG 29 2HD ARG 29 18.984 -16.458 31.817 716 HE ARG 29 HE ARG 29 16.207 -17.227 32.338 717 1HH1 ARG 29 1HH1 ARG 29 18.663 -14.813 32.635 718 2HH1 ARG 29 2HH1 ARG 29 17.941 -14.067 34.020 719 1HH2 ARG 29 1HH2 ARG 29 15.261 -16.261 34.145 720 2HH2 ARG 29 2HH2 ARG 29 16.018 -14.885 34.874 No H/Q in entry = 720 Start of MODEL 17 1 H MET 1 H MET 1 4.127 -9.402 -5.501 2 HA MET 1 HA MET 1 1.551 -9.185 -5.516 3 1HB MET 1 1HB MET 1 1.333 -10.677 -7.476 4 2HB MET 1 2HB MET 1 2.861 -9.796 -7.528 5 1HG MET 1 1HG MET 1 4.118 -11.684 -6.912 6 2HG MET 1 2HG MET 1 2.715 -12.514 -6.240 7 1HE MET 1 1HE MET 1 2.558 -14.346 -6.911 8 2HE MET 1 2HE MET 1 1.358 -14.566 -8.181 9 3HE MET 1 3HE MET 1 3.033 -15.066 -8.447 10 H ALA 2 H ALA 2 1.896 -10.413 -3.020 11 HA ALA 2 HA ALA 2 0.399 -12.998 -3.248 12 1HB ALA 2 1HB ALA 2 2.460 -11.833 -1.458 13 2HB ALA 2 2HB ALA 2 1.228 -12.812 -0.661 14 3HB ALA 2 3HB ALA 2 2.215 -13.510 -1.945 15 H ASP 3 H ASP 3 0.607 -10.656 -0.574 16 HA ASP 3 HA ASP 3 -2.130 -9.707 -0.882 17 1HB ASP 3 1HB ASP 3 -2.889 -10.928 1.226 18 2HB ASP 3 2HB ASP 3 -2.643 -11.957 -0.186 19 H THR 4 H THR 4 -2.646 -9.180 1.851 20 HA THR 4 HA THR 4 -0.256 -7.576 2.695 21 HB THR 4 HB THR 4 -2.255 -5.963 3.422 22 HG1 THR 4 HG1 THR 4 -4.074 -6.567 2.609 23 1HG2 THR 4 1HG2 THR 4 -0.396 -5.487 1.806 24 2HG2 THR 4 2HG2 THR 4 -1.381 -6.204 0.531 25 3HG2 THR 4 3HG2 THR 4 -1.928 -4.742 1.351 26 H ASP 5 H ASP 5 0.276 -7.999 4.802 27 HA ASP 5 HA ASP 5 -1.700 -8.344 6.899 28 1HB ASP 5 1HB ASP 5 -1.793 -10.491 5.536 29 2HB ASP 5 2HB ASP 5 -0.137 -10.802 6.058 30 H THR 6 H THR 6 -0.546 -9.039 8.993 31 HA THR 6 HA THR 6 1.726 -7.444 9.512 32 HB THR 6 HB THR 6 1.098 -10.018 10.959 33 HG1 THR 6 HG1 THR 6 -0.382 -7.600 10.943 34 1HG2 THR 6 1HG2 THR 6 1.894 -7.228 11.836 35 2HG2 THR 6 2HG2 THR 6 1.557 -8.568 12.930 36 3HG2 THR 6 3HG2 THR 6 2.929 -8.655 11.826 37 H ALA 7 H ALA 7 1.603 -10.993 8.987 38 HA ALA 7 HA ALA 7 4.475 -11.324 9.000 39 1HB ALA 7 1HB ALA 7 2.453 -12.979 9.332 40 2HB ALA 7 2HB ALA 7 3.932 -13.566 8.574 41 3HB ALA 7 3HB ALA 7 2.540 -13.139 7.579 42 H GLU 8 H GLU 8 2.042 -11.065 6.397 43 HA GLU 8 HA GLU 8 3.722 -11.432 4.157 44 1HB GLU 8 1HB GLU 8 1.172 -11.139 4.368 45 2HB GLU 8 2HB GLU 8 1.485 -9.403 4.360 46 1HG GLU 8 1HG GLU 8 1.005 -10.152 2.083 47 2HG GLU 8 2HG GLU 8 2.695 -9.663 2.197 48 H GLN 9 H GLN 9 3.167 -8.547 6.154 49 HA GLN 9 HA GLN 9 4.527 -6.635 4.531 50 1HB GLN 9 1HB GLN 9 3.203 -6.770 6.983 51 2HB GLN 9 2HB GLN 9 4.847 -6.310 7.423 52 1HG GLN 9 1HG GLN 9 3.446 -4.321 6.964 53 2HG GLN 9 2HG GLN 9 4.775 -4.453 5.811 54 2HE2 GLN 9 2HE2 GLN 9 2.799 -2.949 4.808 55 1HE2 GLN 9 1HE2 GLN 9 1.812 -3.805 3.723 56 H VAL 10 H VAL 10 5.735 -8.747 7.160 57 HA VAL 10 HA VAL 10 8.431 -7.844 7.192 58 HB VAL 10 HB VAL 10 7.253 -10.608 7.645 59 1HG1 VAL 10 1HG1 VAL 10 9.942 -9.763 7.616 60 2HG1 VAL 10 2HG1 VAL 10 9.499 -9.872 9.319 61 3HG1 VAL 10 3HG1 VAL 10 9.313 -11.276 8.269 62 1HG2 VAL 10 1HG2 VAL 10 6.935 -8.113 9.039 63 2HG2 VAL 10 2HG2 VAL 10 6.261 -9.690 9.447 64 3HG2 VAL 10 3HG2 VAL 10 7.848 -9.224 10.060 65 H ILE 11 H ILE 11 6.832 -10.327 5.200 66 HA ILE 11 HA ILE 11 9.189 -11.219 3.812 67 HB ILE 11 HB ILE 11 6.228 -11.210 3.134 68 1HG1 ILE 11 1HG1 ILE 11 8.059 -13.369 4.236 69 2HG1 ILE 11 2HG1 ILE 11 6.879 -12.458 5.179 70 1HG2 ILE 11 1HG2 ILE 11 8.518 -11.892 1.518 71 2HG2 ILE 11 2HG2 ILE 11 7.585 -13.349 1.864 72 3HG2 ILE 11 3HG2 ILE 11 6.807 -11.966 1.093 73 1HD1 ILE 11 1HD1 ILE 11 5.170 -13.287 3.388 74 2HD1 ILE 11 2HD1 ILE 11 6.395 -14.502 3.025 75 3HD1 ILE 11 3HD1 ILE 11 5.697 -14.409 4.642 76 H ALA 12 H ALA 12 6.679 -8.790 3.040 77 HA ALA 12 HA ALA 12 7.627 -8.017 0.475 78 1HB ALA 12 1HB ALA 12 5.476 -7.351 1.507 79 2HB ALA 12 2HB ALA 12 6.347 -6.382 2.696 80 3HB ALA 12 3HB ALA 12 6.384 -5.931 0.991 81 H SER 13 H SER 13 8.499 -6.861 3.734 82 HA SER 13 HA SER 13 10.412 -4.885 2.866 83 1HB SER 13 1HB SER 13 11.191 -5.723 5.377 84 2HB SER 13 2HB SER 13 9.925 -4.539 5.073 85 HG SER 13 HG SER 13 9.742 -7.030 6.083 86 H PHE 14 H PHE 14 10.611 -8.331 3.723 87 HA PHE 14 HA PHE 14 13.487 -8.548 3.535 88 1HB PHE 14 1HB PHE 14 11.095 -10.268 3.774 89 2HB PHE 14 2HB PHE 14 12.470 -11.038 2.979 90 HD1 PHE 14 HD1 PHE 14 11.000 -10.847 6.031 91 HD2 PHE 14 HD2 PHE 14 14.819 -10.068 4.226 92 HE1 PHE 14 HE1 PHE 14 12.103 -11.160 8.231 93 HE2 PHE 14 HE2 PHE 14 15.922 -10.380 6.425 94 HZ PHE 14 HZ PHE 14 14.564 -10.926 8.426 95 H ARG 15 H ARG 15 10.820 -9.116 1.234 96 HA ARG 15 HA ARG 15 12.289 -10.129 -0.954 97 1HB ARG 15 1HB ARG 15 9.781 -9.853 -0.642 98 2HB ARG 15 2HB ARG 15 9.990 -8.150 -1.051 99 1HG ARG 15 1HG ARG 15 9.796 -8.754 -3.214 100 2HG ARG 15 2HG ARG 15 11.376 -9.522 -3.056 101 1HD ARG 15 1HD ARG 15 10.038 -11.310 -3.802 102 2HD ARG 15 2HD ARG 15 9.970 -11.521 -2.041 103 HE ARG 15 HE ARG 15 7.704 -10.860 -2.110 104 1HH1 ARG 15 1HH1 ARG 15 9.409 -9.888 -4.952 105 2HH1 ARG 15 2HH1 ARG 15 7.995 -9.287 -5.751 106 1HH2 ARG 15 1HH2 ARG 15 5.852 -10.083 -3.143 107 2HH2 ARG 15 2HH2 ARG 15 5.983 -9.398 -4.728 108 H ILE 16 H ILE 16 11.669 -6.740 -0.002 109 HA ILE 16 HA ILE 16 13.025 -5.501 -2.203 110 HB ILE 16 HB ILE 16 12.450 -4.681 0.661 111 1HG1 ILE 16 1HG1 ILE 16 11.159 -3.742 -1.910 112 2HG1 ILE 16 2HG1 ILE 16 10.566 -5.141 -1.015 113 1HG2 ILE 16 1HG2 ILE 16 14.360 -3.389 -0.247 114 2HG2 ILE 16 2HG2 ILE 16 13.391 -2.962 -1.657 115 3HG2 ILE 16 3HG2 ILE 16 12.927 -2.378 -0.059 116 1HD1 ILE 16 1HD1 ILE 16 10.956 -2.423 0.254 117 2HD1 ILE 16 2HD1 ILE 16 9.425 -2.945 -0.448 118 3HD1 ILE 16 3HD1 ILE 16 10.104 -3.811 0.929 119 H LEU 17 H LEU 17 14.137 -6.422 1.066 120 HA LEU 17 HA LEU 17 16.824 -5.465 0.811 121 1HB LEU 17 1HB LEU 17 15.233 -7.299 2.521 122 2HB LEU 17 2HB LEU 17 16.977 -7.567 2.541 123 HG LEU 17 HG LEU 17 16.351 -5.966 4.290 124 1HD1 LEU 17 1HD1 LEU 17 18.398 -5.690 2.546 125 2HD1 LEU 17 2HD1 LEU 17 17.573 -4.155 2.276 126 3HD1 LEU 17 3HD1 LEU 17 18.133 -4.582 3.892 127 1HD2 LEU 17 1HD2 LEU 17 14.427 -5.135 2.509 128 2HD2 LEU 17 2HD2 LEU 17 14.895 -4.249 3.961 129 3HD2 LEU 17 3HD2 LEU 17 15.605 -3.826 2.403 130 H ALA 18 H ALA 18 15.263 -8.513 -0.100 131 HA ALA 18 HA ALA 18 17.769 -9.833 -0.837 132 1HB ALA 18 1HB ALA 18 15.983 -11.435 -1.858 133 2HB ALA 18 2HB ALA 18 14.811 -10.376 -1.073 134 3HB ALA 18 3HB ALA 18 16.012 -11.234 -0.106 135 H SER 19 H SER 19 16.155 -7.309 -2.223 136 HA SER 19 HA SER 19 16.211 -6.369 -4.390 137 1HB SER 19 1HB SER 19 18.623 -7.242 -3.936 138 2HB SER 19 2HB SER 19 18.196 -8.547 -5.040 139 HG SER 19 HG SER 19 19.092 -6.884 -6.228 140 H ASP 20 H ASP 20 13.991 -7.319 -4.650 141 HA ASP 20 HA ASP 20 12.403 -8.668 -5.779 142 1HB ASP 20 1HB ASP 20 14.638 -7.894 -7.564 143 2HB ASP 20 2HB ASP 20 13.596 -9.178 -8.179 144 H LYS 21 H LYS 21 13.462 -10.333 -3.989 145 HA LYS 21 HA LYS 21 13.759 -12.877 -5.470 146 1HB LYS 21 1HB LYS 21 15.847 -11.573 -3.722 147 2HB LYS 21 2HB LYS 21 15.820 -13.321 -3.959 148 1HG LYS 21 1HG LYS 21 15.550 -12.423 -6.533 149 2HG LYS 21 2HG LYS 21 16.596 -11.186 -5.836 150 1HD LYS 21 1HD LYS 21 18.242 -12.784 -5.204 151 2HD LYS 21 2HD LYS 21 17.138 -14.135 -5.468 152 1HE LYS 21 1HE LYS 21 18.513 -14.148 -7.406 153 2HE LYS 21 2HE LYS 21 17.061 -13.279 -7.941 154 1HZ LYS 21 1HZ LYS 21 18.205 -11.207 -7.136 155 2HZ LYS 21 2HZ LYS 21 19.630 -12.124 -7.014 156 3HZ LYS 21 3HZ LYS 21 18.885 -11.916 -8.522 157 HA PRO 22 HA PRO 22 11.427 -14.003 -1.912 158 1HB PRO 22 1HB PRO 22 11.413 -16.738 -2.325 159 2HB PRO 22 2HB PRO 22 10.333 -15.600 -3.153 160 1HG PRO 22 1HG PRO 22 12.817 -16.898 -4.124 161 2HG PRO 22 2HG PRO 22 11.335 -16.489 -5.002 162 1HD PRO 22 1HD PRO 22 13.626 -15.044 -5.195 163 2HD PRO 22 2HD PRO 22 12.009 -14.339 -5.403 164 H TYR 23 H TYR 23 14.654 -14.388 -2.273 165 HA TYR 23 HA TYR 23 14.925 -15.714 0.402 166 1HB TYR 23 1HB TYR 23 16.708 -16.153 -2.013 167 2HB TYR 23 2HB TYR 23 16.766 -17.026 -0.480 168 HD1 TYR 23 HD1 TYR 23 14.123 -17.759 0.195 169 HD2 TYR 23 HD2 TYR 23 15.857 -17.481 -3.726 170 HE1 TYR 23 HE1 TYR 23 12.448 -19.375 -0.660 171 HE2 TYR 23 HE2 TYR 23 14.182 -19.097 -4.581 172 HH TYR 23 HH TYR 23 11.649 -19.758 -3.694 173 H ILE 24 H ILE 24 17.111 -15.186 1.392 174 HA ILE 24 HA ILE 24 18.277 -12.643 0.343 175 HB ILE 24 HB ILE 24 16.408 -12.640 2.271 176 1HG1 ILE 24 1HG1 ILE 24 17.300 -10.598 1.431 177 2HG1 ILE 24 2HG1 ILE 24 17.582 -10.555 3.172 178 1HG2 ILE 24 1HG2 ILE 24 17.897 -14.165 3.683 179 2HG2 ILE 24 2HG2 ILE 24 18.962 -12.774 3.883 180 3HG2 ILE 24 3HG2 ILE 24 17.304 -12.708 4.481 181 1HD1 ILE 24 1HD1 ILE 24 19.873 -11.703 2.500 182 2HD1 ILE 24 2HD1 ILE 24 19.544 -10.940 0.944 183 3HD1 ILE 24 3HD1 ILE 24 19.682 -9.953 2.399 184 H LEU 25 H LEU 25 20.509 -12.515 0.649 185 HA LEU 25 HA LEU 25 21.888 -14.952 1.533 186 1HB LEU 25 1HB LEU 25 22.601 -12.311 0.269 187 2HB LEU 25 2HB LEU 25 23.875 -13.359 0.894 188 HG LEU 25 HG LEU 25 22.528 -15.207 -0.476 189 1HD1 LEU 25 1HD1 LEU 25 21.594 -12.573 -1.511 190 2HD1 LEU 25 2HD1 LEU 25 21.982 -13.811 -2.706 191 3HD1 LEU 25 3HD1 LEU 25 20.760 -14.127 -1.474 192 1HD2 LEU 25 1HD2 LEU 25 24.748 -13.394 -1.065 193 2HD2 LEU 25 2HD2 LEU 25 24.619 -15.131 -1.341 194 3HD2 LEU 25 3HD2 LEU 25 23.970 -14.000 -2.527 195 H ALA 26 H ALA 26 23.476 -14.955 3.254 196 HA ALA 26 HA ALA 26 22.694 -13.514 5.626 197 1HB ALA 26 1HB ALA 26 24.844 -15.401 4.751 198 2HB ALA 26 2HB ALA 26 23.672 -15.571 6.059 199 3HB ALA 26 3HB ALA 26 25.082 -14.533 6.268 200 H GLU 27 H GLU 27 25.502 -13.212 3.434 201 HA GLU 27 HA GLU 27 26.879 -11.139 4.783 202 1HB GLU 27 1HB GLU 27 27.446 -12.583 2.710 203 2HB GLU 27 2HB GLU 27 26.595 -11.348 1.784 204 1HG GLU 27 1HG GLU 27 28.093 -9.629 2.877 205 2HG GLU 27 2HG GLU 27 29.032 -10.966 3.542 206 H GLU 28 H GLU 28 24.192 -10.978 2.452 207 HA GLU 28 HA GLU 28 24.105 -8.153 2.106 208 1HB GLU 28 1HB GLU 28 22.359 -10.514 1.766 209 2HB GLU 28 2HB GLU 28 21.493 -8.990 1.965 210 1HG GLU 28 1HG GLU 28 23.551 -8.329 0.224 211 2HG GLU 28 2HG GLU 28 23.072 -9.944 -0.306 212 H LEU 29 H LEU 29 22.613 -10.273 4.541 213 HA LEU 29 HA LEU 29 21.111 -8.286 5.935 214 1HB LEU 29 1HB LEU 29 22.124 -11.032 6.308 215 2HB LEU 29 2HB LEU 29 21.878 -10.152 7.817 216 HG LEU 29 HG LEU 29 19.857 -11.444 6.951 217 1HD1 LEU 29 1HD1 LEU 29 19.754 -8.458 7.430 218 2HD1 LEU 29 2HD1 LEU 29 18.308 -9.464 7.354 219 3HD1 LEU 29 3HD1 LEU 29 19.514 -9.747 8.609 220 1HD2 LEU 29 1HD2 LEU 29 20.476 -10.391 4.547 221 2HD2 LEU 29 2HD2 LEU 29 18.831 -10.859 4.977 222 3HD2 LEU 29 3HD2 LEU 29 19.328 -9.172 5.098 223 H ARG 30 H ARG 30 24.505 -9.284 6.109 224 HA ARG 30 HA ARG 30 25.174 -7.834 8.513 225 1HB ARG 30 1HB ARG 30 26.701 -8.901 6.127 226 2HB ARG 30 2HB ARG 30 27.510 -8.140 7.496 227 1HG ARG 30 1HG ARG 30 25.535 -10.182 8.269 228 2HG ARG 30 2HG ARG 30 26.892 -10.815 7.338 229 1HD ARG 30 1HD ARG 30 27.268 -8.993 9.735 230 2HD ARG 30 2HD ARG 30 27.280 -10.763 9.852 231 HE ARG 30 HE ARG 30 29.376 -9.126 8.653 232 1HH1 ARG 30 1HH1 ARG 30 27.717 -12.158 8.621 233 2HH1 ARG 30 2HH1 ARG 30 29.055 -13.026 7.947 234 1HH2 ARG 30 1HH2 ARG 30 31.124 -10.252 7.778 235 2HH2 ARG 30 2HH2 ARG 30 30.981 -11.951 7.474 236 H ARG 31 H ARG 31 25.118 -6.978 5.067 237 HA ARG 31 HA ARG 31 26.252 -4.294 5.661 238 1HB ARG 31 1HB ARG 31 26.513 -6.130 3.612 239 2HB ARG 31 2HB ARG 31 25.405 -4.943 2.923 240 1HG ARG 31 1HG ARG 31 27.051 -3.421 2.698 241 2HG ARG 31 2HG ARG 31 27.564 -3.643 4.370 242 1HD ARG 31 1HD ARG 31 29.450 -4.352 3.112 243 2HD ARG 31 2HD ARG 31 28.621 -5.874 3.493 244 HE ARG 31 HE ARG 31 27.966 -6.047 1.219 245 1HH1 ARG 31 1HH1 ARG 31 29.163 -2.899 2.001 246 2HH1 ARG 31 2HH1 ARG 31 29.197 -2.364 0.356 247 1HH2 ARG 31 1HH2 ARG 31 28.014 -5.358 -0.929 248 2HH2 ARG 31 2HH2 ARG 31 28.552 -3.754 -1.303 249 H GLU 32 H GLU 32 23.180 -5.811 4.840 250 HA GLU 32 HA GLU 32 21.939 -3.211 4.163 251 1HB GLU 32 1HB GLU 32 20.829 -6.024 4.392 252 2HB GLU 32 2HB GLU 32 20.003 -4.648 3.661 253 1HG GLU 32 1HG GLU 32 22.738 -5.394 2.680 254 2HG GLU 32 2HG GLU 32 21.347 -6.336 2.142 255 H LEU 33 H LEU 33 22.156 -5.375 6.929 256 HA LEU 33 HA LEU 33 20.165 -3.640 8.344 257 1HB LEU 33 1HB LEU 33 20.604 -6.569 8.114 258 2HB LEU 33 2HB LEU 33 20.129 -5.972 9.700 259 HG LEU 33 HG LEU 33 18.664 -5.168 7.186 260 1HD1 LEU 33 1HD1 LEU 33 18.488 -7.668 8.805 261 2HD1 LEU 33 2HD1 LEU 33 16.974 -6.933 8.280 262 3HD1 LEU 33 3HD1 LEU 33 18.178 -7.418 7.087 263 1HD2 LEU 33 1HD2 LEU 33 18.207 -4.976 10.152 264 2HD2 LEU 33 2HD2 LEU 33 18.056 -3.720 8.924 265 3HD2 LEU 33 3HD2 LEU 33 16.830 -4.982 9.051 266 HA PRO 34 HA PRO 34 23.173 -2.721 11.371 267 1HB PRO 34 1HB PRO 34 21.374 -3.572 13.559 268 2HB PRO 34 2HB PRO 34 22.036 -1.964 13.213 269 1HG PRO 34 1HG PRO 34 19.453 -2.565 12.820 270 2HG PRO 34 2HG PRO 34 20.331 -1.413 11.799 271 1HD PRO 34 1HD PRO 34 19.537 -4.224 11.223 272 2HD PRO 34 2HD PRO 34 19.619 -2.821 10.135 273 HA PRO 35 HA PRO 35 25.372 -6.476 12.023 274 1HB PRO 35 1HB PRO 35 26.520 -5.921 14.465 275 2HB PRO 35 2HB PRO 35 27.159 -5.330 12.919 276 1HG PRO 35 1HG PRO 35 25.526 -3.917 14.955 277 2HG PRO 35 2HG PRO 35 26.840 -3.309 13.937 278 1HD PRO 35 1HD PRO 35 24.213 -2.818 13.437 279 2HD PRO 35 2HD PRO 35 25.455 -2.889 12.168 280 H ASP 36 H ASP 36 23.579 -5.051 14.759 281 HA ASP 36 HA ASP 36 23.256 -7.476 16.253 282 1HB ASP 36 1HB ASP 36 22.789 -4.813 16.599 283 2HB ASP 36 2HB ASP 36 21.143 -5.405 16.371 284 H GLN 37 H GLN 37 21.253 -5.965 13.710 285 HA GLN 37 HA GLN 37 19.027 -7.778 13.998 286 1HB GLN 37 1HB GLN 37 19.664 -5.452 12.624 287 2HB GLN 37 2HB GLN 37 19.499 -6.646 11.336 288 1HG GLN 37 1HG GLN 37 17.264 -6.993 11.750 289 2HG GLN 37 2HG GLN 37 17.428 -6.674 13.478 290 2HE2 GLN 37 2HE2 GLN 37 18.367 -4.168 13.730 291 1HE2 GLN 37 1HE2 GLN 37 17.418 -3.035 12.895 292 H ALA 38 H ALA 38 21.880 -7.748 11.854 293 HA ALA 38 HA ALA 38 21.233 -9.950 10.209 294 1HB ALA 38 1HB ALA 38 23.760 -8.716 11.284 295 2HB ALA 38 2HB ALA 38 23.849 -10.146 10.257 296 3HB ALA 38 3HB ALA 38 23.117 -8.665 9.642 297 H GLN 39 H GLN 39 23.005 -9.952 13.327 298 HA GLN 39 HA GLN 39 23.497 -12.730 13.516 299 1HB GLN 39 1HB GLN 39 23.897 -10.467 15.026 300 2HB GLN 39 2HB GLN 39 22.736 -11.355 16.011 301 1HG GLN 39 1HG GLN 39 24.179 -13.362 15.894 302 2HG GLN 39 2HG GLN 39 25.351 -12.453 14.939 303 2HE2 GLN 39 2HE2 GLN 39 24.748 -13.434 18.067 304 1HE2 GLN 39 1HE2 GLN 39 25.574 -12.209 18.905 305 H TYR 40 H TYR 40 20.671 -10.894 14.761 306 HA TYR 40 HA TYR 40 19.268 -13.152 15.810 307 1HB TYR 40 1HB TYR 40 18.977 -10.480 15.873 308 2HB TYR 40 2HB TYR 40 17.794 -10.846 14.616 309 HD1 TYR 40 HD1 TYR 40 15.755 -12.034 15.112 310 HD2 TYR 40 HD2 TYR 40 18.747 -11.466 18.140 311 HE1 TYR 40 HE1 TYR 40 14.147 -12.787 16.843 312 HE2 TYR 40 HE2 TYR 40 17.139 -12.219 19.871 313 HH TYR 40 HH TYR 40 14.267 -12.193 19.847 314 H CYS 41 H CYS 41 18.975 -11.501 12.644 315 HA CYS 41 HA CYS 41 16.981 -13.262 11.565 316 1HB CYS 41 1HB CYS 41 19.144 -11.660 10.162 317 2HB CYS 41 2HB CYS 41 17.611 -12.182 9.464 318 HG CYS 41 HG CYS 41 17.814 -9.618 10.715 319 H ILE 42 H ILE 42 20.542 -13.208 11.212 320 HA ILE 42 HA ILE 42 20.830 -15.450 9.503 321 HB ILE 42 HB ILE 42 22.542 -14.316 11.734 322 1HG1 ILE 42 1HG1 ILE 42 21.883 -12.897 9.698 323 2HG1 ILE 42 2HG1 ILE 42 23.611 -13.053 10.014 324 1HG2 ILE 42 1HG2 ILE 42 23.068 -16.473 9.700 325 2HG2 ILE 42 2HG2 ILE 42 24.388 -15.453 10.273 326 3HG2 ILE 42 3HG2 ILE 42 23.478 -16.443 11.415 327 1HD1 ILE 42 1HD1 ILE 42 22.284 -15.047 8.212 328 2HD1 ILE 42 2HD1 ILE 42 22.660 -13.444 7.579 329 3HD1 ILE 42 3HD1 ILE 42 23.951 -14.471 8.205 330 H LYS 43 H LYS 43 20.024 -15.276 12.893 331 HA LYS 43 HA LYS 43 20.716 -18.079 13.455 332 1HB LYS 43 1HB LYS 43 20.840 -16.130 15.065 333 2HB LYS 43 2HB LYS 43 19.076 -16.085 15.047 334 1HG LYS 43 1HG LYS 43 18.873 -18.098 16.178 335 2HG LYS 43 2HG LYS 43 20.429 -18.698 15.604 336 1HD LYS 43 1HD LYS 43 21.639 -17.391 17.154 337 2HD LYS 43 2HD LYS 43 20.262 -16.334 17.469 338 1HE LYS 43 1HE LYS 43 19.225 -17.875 18.876 339 2HE LYS 43 2HE LYS 43 20.001 -19.264 18.089 340 1HZ LYS 43 1HZ LYS 43 21.479 -17.187 19.613 341 2HZ LYS 43 2HZ LYS 43 20.992 -18.669 20.279 342 3HZ LYS 43 3HZ LYS 43 22.101 -18.641 18.992 343 H ARG 44 H ARG 44 17.922 -16.258 12.400 344 HA ARG 44 HA ARG 44 16.064 -18.492 13.001 345 1HB ARG 44 1HB ARG 44 15.865 -15.653 11.994 346 2HB ARG 44 2HB ARG 44 14.477 -16.740 11.918 347 1HG ARG 44 1HG ARG 44 16.040 -16.070 14.429 348 2HG ARG 44 2HG ARG 44 14.456 -15.417 14.008 349 1HD ARG 44 1HD ARG 44 13.933 -18.067 13.752 350 2HD ARG 44 2HD ARG 44 15.168 -18.115 15.024 351 HE ARG 44 HE ARG 44 13.436 -15.997 15.689 352 1HH1 ARG 44 1HH1 ARG 44 13.330 -19.419 15.220 353 2HH1 ARG 44 2HH1 ARG 44 12.029 -19.661 16.337 354 1HH2 ARG 44 1HH2 ARG 44 11.737 -16.304 17.146 355 2HH2 ARG 44 2HH2 ARG 44 11.129 -17.900 17.425 356 H MET 45 H MET 45 16.528 -16.451 10.095 357 HA MET 45 HA MET 45 15.415 -17.932 8.108 358 1HB MET 45 1HB MET 45 17.312 -15.909 8.355 359 2HB MET 45 2HB MET 45 18.136 -17.138 7.393 360 1HG MET 45 1HG MET 45 16.609 -17.002 5.655 361 2HG MET 45 2HG MET 45 15.309 -16.452 6.709 362 1HE MET 45 1HE MET 45 15.195 -14.589 7.890 363 2HE MET 45 2HE MET 45 16.561 -13.498 8.150 364 3HE MET 45 3HE MET 45 15.258 -13.038 7.056 365 HA PRO 46 HA PRO 46 17.688 -21.779 8.751 366 1HB PRO 46 1HB PRO 46 15.500 -22.848 7.051 367 2HB PRO 46 2HB PRO 46 16.073 -23.412 8.632 368 1HG PRO 46 1HG PRO 46 13.754 -22.111 8.345 369 2HG PRO 46 2HG PRO 46 14.766 -21.936 9.787 370 1HD PRO 46 1HD PRO 46 14.360 -20.051 7.528 371 2HD PRO 46 2HD PRO 46 14.666 -19.717 9.246 372 H ALA 47 H ALA 47 17.605 -23.650 6.593 373 HA ALA 47 HA ALA 47 19.106 -22.101 4.536 374 1HB ALA 47 1HB ALA 47 19.022 -24.919 5.562 375 2HB ALA 47 2HB ALA 47 20.414 -23.863 5.319 376 3HB ALA 47 3HB ALA 47 19.637 -24.630 3.935 377 H TYR 48 H TYR 48 18.115 -21.693 2.606 378 HA TYR 48 HA TYR 48 15.472 -22.572 1.952 379 1HB TYR 48 1HB TYR 48 16.314 -20.564 0.999 380 2HB TYR 48 2HB TYR 48 17.789 -21.354 0.440 381 HD1 TYR 48 HD1 TYR 48 17.779 -21.195 -1.903 382 HD2 TYR 48 HD2 TYR 48 14.210 -22.416 0.151 383 HE1 TYR 48 HE1 TYR 48 16.697 -21.686 -4.079 384 HE2 TYR 48 HE2 TYR 48 13.127 -22.907 -2.026 385 HH TYR 48 HH TYR 48 13.504 -21.994 -4.513 386 H SER 49 H SER 49 14.764 -24.366 0.813 387 HA SER 49 HA SER 49 16.855 -26.182 -0.346 388 1HB SER 49 1HB SER 49 15.292 -28.013 0.490 389 2HB SER 49 2HB SER 49 16.103 -27.090 1.751 390 HG SER 49 HG SER 49 14.239 -25.918 2.062 391 H GLY 50 H GLY 50 16.494 -25.885 -2.544 392 1HA GLY 50 1HA GLY 50 14.691 -25.082 -4.206 393 2HA GLY 50 2HA GLY 50 13.704 -26.363 -3.502 394 HA PRO 51 HA PRO 51 15.983 -28.509 -6.712 395 1HB PRO 51 1HB PRO 51 16.465 -27.038 -8.989 396 2HB PRO 51 2HB PRO 51 14.854 -27.608 -8.508 397 1HG PRO 51 1HG PRO 51 16.082 -24.920 -8.197 398 2HG PRO 51 2HG PRO 51 14.412 -25.364 -8.587 399 1HD PRO 51 1HD PRO 51 15.187 -24.541 -6.122 400 2HD PRO 51 2HD PRO 51 13.838 -25.667 -6.391 401 H GLY 52 H GLY 52 17.771 -26.530 -5.060 402 1HA GLY 52 1HA GLY 52 20.219 -26.528 -6.720 403 2HA GLY 52 2HA GLY 52 20.252 -27.517 -5.259 404 H SER 53 H SER 53 18.598 -24.403 -5.642 405 HA SER 53 HA SER 53 18.928 -22.350 -4.553 406 1HB SER 53 1HB SER 53 18.325 -23.557 -2.605 407 2HB SER 53 2HB SER 53 19.834 -24.461 -2.598 408 HG SER 53 HG SER 53 20.448 -22.954 -1.267 409 H VAL 54 H VAL 54 20.769 -21.134 -3.270 410 HA VAL 54 HA VAL 54 23.304 -21.553 -4.809 411 HB VAL 54 HB VAL 54 23.617 -19.131 -4.388 412 1HG1 VAL 54 1HG1 VAL 54 21.533 -20.351 -5.934 413 2HG1 VAL 54 2HG1 VAL 54 20.943 -18.804 -5.323 414 3HG1 VAL 54 3HG1 VAL 54 22.426 -18.868 -6.278 415 1HG2 VAL 54 1HG2 VAL 54 22.420 -19.163 -2.170 416 2HG2 VAL 54 2HG2 VAL 54 21.917 -17.846 -3.230 417 3HG2 VAL 54 3HG2 VAL 54 20.896 -19.274 -3.052 418 HA PRO 55 HA PRO 55 25.448 -22.266 -1.066 419 1HB PRO 55 1HB PRO 55 27.828 -20.922 -1.471 420 2HB PRO 55 2HB PRO 55 27.439 -22.496 -2.190 421 1HG PRO 55 1HG PRO 55 27.340 -19.788 -3.399 422 2HG PRO 55 2HG PRO 55 27.798 -21.336 -4.126 423 1HD PRO 55 1HD PRO 55 25.400 -20.148 -4.559 424 2HD PRO 55 2HD PRO 55 25.631 -21.909 -4.594 425 H GLY 56 H GLY 56 23.876 -20.829 0.112 426 1HA GLY 56 1HA GLY 56 25.107 -18.216 0.887 427 2HA GLY 56 2HA GLY 56 24.451 -19.316 2.100 428 H ALA 57 H ALA 57 22.132 -20.141 0.631 429 HA ALA 57 HA ALA 57 20.627 -17.566 0.325 430 1HB ALA 57 1HB ALA 57 19.182 -19.830 -0.631 431 2HB ALA 57 2HB ALA 57 19.931 -18.548 -1.584 432 3HB ALA 57 3HB ALA 57 20.848 -20.001 -1.184 433 H LEU 58 H LEU 58 19.460 -17.110 2.155 434 HA LEU 58 HA LEU 58 18.344 -19.396 3.744 435 1HB LEU 58 1HB LEU 58 18.935 -16.512 4.493 436 2HB LEU 58 2HB LEU 58 18.392 -17.772 5.602 437 HG LEU 58 HG LEU 58 20.682 -18.711 4.128 438 1HD1 LEU 58 1HD1 LEU 58 21.220 -16.305 3.905 439 2HD1 LEU 58 2HD1 LEU 58 21.061 -16.112 5.650 440 3HD1 LEU 58 3HD1 LEU 58 22.352 -17.115 4.987 441 1HD2 LEU 58 1HD2 LEU 58 19.942 -18.171 7.000 442 2HD2 LEU 58 2HD2 LEU 58 20.195 -19.722 6.198 443 3HD2 LEU 58 3HD2 LEU 58 21.574 -18.691 6.581 444 H ASP 59 H ASP 59 16.144 -19.096 4.586 445 HA ASP 59 HA ASP 59 14.492 -17.317 2.825 446 1HB ASP 59 1HB ASP 59 12.680 -18.997 3.645 447 2HB ASP 59 2HB ASP 59 13.868 -19.568 2.478 448 H TYR 60 H TYR 60 13.991 -15.465 3.933 449 HA TYR 60 HA TYR 60 13.860 -15.314 6.834 450 1HB TYR 60 1HB TYR 60 13.081 -13.001 6.288 451 2HB TYR 60 2HB TYR 60 14.528 -13.441 5.378 452 HD1 TYR 60 HD1 TYR 60 14.523 -13.408 3.016 453 HD2 TYR 60 HD2 TYR 60 10.799 -13.344 5.155 454 HE1 TYR 60 HE1 TYR 60 13.308 -13.008 0.890 455 HE2 TYR 60 HE2 TYR 60 9.585 -12.944 3.030 456 HH TYR 60 HH TYR 60 11.340 -12.526 -0.038 457 H ALA 61 H ALA 61 11.611 -15.978 4.245 458 HA ALA 61 HA ALA 61 9.129 -15.333 5.442 459 1HB ALA 61 1HB ALA 61 9.603 -17.831 3.826 460 2HB ALA 61 2HB ALA 61 8.258 -16.694 3.728 461 3HB ALA 61 3HB ALA 61 9.841 -16.246 3.090 462 H ALA 62 H ALA 62 11.115 -18.292 5.719 463 HA ALA 62 HA ALA 62 9.323 -19.815 7.320 464 1HB ALA 62 1HB ALA 62 12.345 -19.751 7.477 465 2HB ALA 62 2HB ALA 62 11.466 -20.513 6.152 466 3HB ALA 62 3HB ALA 62 11.292 -21.129 7.795 467 H PHE 63 H PHE 63 11.778 -17.447 8.198 468 HA PHE 63 HA PHE 63 11.479 -17.742 11.065 469 1HB PHE 63 1HB PHE 63 13.511 -16.867 10.126 470 2HB PHE 63 2HB PHE 63 12.634 -15.631 9.225 471 HD1 PHE 63 HD1 PHE 63 11.565 -16.459 12.622 472 HD2 PHE 63 HD2 PHE 63 14.029 -13.850 10.259 473 HE1 PHE 63 HE1 PHE 63 11.770 -14.910 14.546 474 HE2 PHE 63 HE2 PHE 63 14.232 -12.301 12.186 475 HZ PHE 63 HZ PHE 63 13.103 -12.831 14.329 476 H SER 64 H SER 64 10.015 -15.626 8.616 477 HA SER 64 HA SER 64 8.771 -13.727 10.316 478 1HB SER 64 1HB SER 64 7.888 -14.958 7.688 479 2HB SER 64 2HB SER 64 7.232 -13.471 8.364 480 HG SER 64 HG SER 64 9.643 -13.962 7.122 481 H SER 65 H SER 65 7.571 -16.902 9.183 482 HA SER 65 HA SER 65 4.980 -16.767 10.365 483 1HB SER 65 1HB SER 65 5.589 -19.410 10.384 484 2HB SER 65 2HB SER 65 5.183 -18.532 8.911 485 HG SER 65 HG SER 65 7.420 -19.779 9.467 486 H ALA 66 H ALA 66 8.090 -17.927 11.673 487 HA ALA 66 HA ALA 66 7.001 -18.842 14.194 488 1HB ALA 66 1HB ALA 66 9.264 -19.281 14.684 489 2HB ALA 66 2HB ALA 66 9.829 -17.916 13.722 490 3HB ALA 66 3HB ALA 66 9.223 -19.365 12.923 491 H LEU 67 H LEU 67 8.291 -15.753 13.038 492 HA LEU 67 HA LEU 67 8.641 -14.487 15.584 493 1HB LEU 67 1HB LEU 67 8.905 -13.916 12.836 494 2HB LEU 67 2HB LEU 67 7.790 -12.700 13.463 495 HG LEU 67 HG LEU 67 10.533 -13.358 14.576 496 1HD1 LEU 67 1HD1 LEU 67 9.805 -11.729 12.437 497 2HD1 LEU 67 2HD1 LEU 67 9.949 -10.605 13.789 498 3HD1 LEU 67 3HD1 LEU 67 11.313 -11.631 13.345 499 1HD2 LEU 67 1HD2 LEU 67 8.200 -11.847 15.633 500 2HD2 LEU 67 2HD2 LEU 67 9.498 -12.665 16.503 501 3HD2 LEU 67 3HD2 LEU 67 9.772 -11.068 15.808 502 H TYR 68 H TYR 68 5.855 -14.547 13.338 503 HA TYR 68 HA TYR 68 4.195 -13.163 15.388 504 1HB TYR 68 1HB TYR 68 4.072 -13.706 12.435 505 2HB TYR 68 2HB TYR 68 2.588 -13.307 13.300 506 HD1 TYR 68 HD1 TYR 68 5.811 -12.064 12.096 507 HD2 TYR 68 HD2 TYR 68 2.353 -11.131 14.467 508 HE1 TYR 68 HE1 TYR 68 6.435 -9.663 12.061 509 HE2 TYR 68 HE2 TYR 68 2.977 -8.731 14.432 510 HH TYR 68 HH TYR 68 4.694 -7.285 13.989 511 H GLY 69 H GLY 69 4.636 -16.272 13.822 512 1HA GLY 69 1HA GLY 69 3.327 -18.249 13.940 513 2HA GLY 69 2HA GLY 69 2.064 -17.328 14.755 514 H GLU 70 H GLU 70 2.760 -16.573 17.054 515 HA GLU 70 HA GLU 70 4.446 -18.671 18.371 516 1HB GLU 70 1HB GLU 70 4.851 -16.985 20.054 517 2HB GLU 70 2HB GLU 70 5.050 -16.208 18.483 518 1HG GLU 70 1HG GLU 70 3.611 -14.660 19.334 519 2HG GLU 70 2HG GLU 70 2.379 -15.843 18.896 520 H SER 71 H SER 71 1.249 -17.287 18.189 521 HA SER 71 HA SER 71 0.092 -19.446 19.739 522 1HB SER 71 1HB SER 71 1.211 -18.006 21.474 523 2HB SER 71 2HB SER 71 0.159 -16.680 20.986 524 HG SER 71 HG SER 71 -0.906 -17.653 22.620 525 H ASP 72 H ASP 72 -1.387 -19.555 17.976 526 HA ASP 72 HA ASP 72 -2.784 -17.317 16.855 527 1HB ASP 72 1HB ASP 72 -4.257 -19.132 15.970 528 2HB ASP 72 2HB ASP 72 -2.544 -19.504 15.771 529 H LEU 73 H LEU 73 -4.068 -16.006 18.114 530 HA LEU 73 HA LEU 73 -5.402 -16.909 20.526 531 1HB LEU 73 1HB LEU 73 -6.344 -14.608 20.427 532 2HB LEU 73 2HB LEU 73 -4.603 -14.609 20.140 533 HG LEU 73 HG LEU 73 -5.589 -14.958 17.598 534 1HD1 LEU 73 1HD1 LEU 73 -7.707 -13.840 19.249 535 2HD1 LEU 73 2HD1 LEU 73 -7.236 -12.720 17.971 536 3HD1 LEU 73 3HD1 LEU 73 -7.762 -14.353 17.562 537 1HD2 LEU 73 1HD2 LEU 73 -4.712 -12.570 19.202 538 2HD2 LEU 73 2HD2 LEU 73 -3.871 -13.399 17.892 539 3HD2 LEU 73 3HD2 LEU 73 -5.242 -12.348 17.534 540 H GLY 7 H GLY 7 14.116 1.199 -4.079 541 1HA GLY 7 1HA GLY 7 11.857 1.644 -5.101 542 2HA GLY 7 2HA GLY 7 12.345 3.338 -5.197 543 H LYS 8 H LYS 8 12.959 1.150 -2.479 544 HA LYS 8 HA LYS 8 11.961 3.054 -0.549 545 1HB LYS 8 1HB LYS 8 9.888 1.912 0.031 546 2HB LYS 8 2HB LYS 8 9.865 2.268 -1.697 547 1HG LYS 8 1HG LYS 8 11.107 -0.202 -1.598 548 2HG LYS 8 2HG LYS 8 9.889 -0.327 -0.328 549 1HD LYS 8 1HD LYS 8 8.707 0.982 -2.586 550 2HD LYS 8 2HD LYS 8 9.500 -0.490 -3.148 551 1HE LYS 8 1HE LYS 8 7.407 -1.326 -2.503 552 2HE LYS 8 2HE LYS 8 8.323 -1.539 -0.998 553 1HZ LYS 8 1HZ LYS 8 7.629 0.942 -0.653 554 2HZ LYS 8 2HZ LYS 8 6.356 0.524 -1.699 555 3HZ LYS 8 3HZ LYS 8 6.566 -0.311 -0.234 556 H LYS 9 H LYS 9 14.253 1.234 -0.979 557 HA LYS 9 HA LYS 9 14.183 -1.097 0.637 558 1HB LYS 9 1HB LYS 9 16.003 0.361 -0.879 559 2HB LYS 9 2HB LYS 9 16.673 0.442 0.751 560 1HG LYS 9 1HG LYS 9 16.085 -2.145 0.763 561 2HG LYS 9 2HG LYS 9 16.200 -1.951 -0.987 562 1HD LYS 9 1HD LYS 9 18.426 -0.600 -0.191 563 2HD LYS 9 2HD LYS 9 18.326 -1.831 1.069 564 1HE LYS 9 1HE LYS 9 19.501 -3.044 -0.520 565 2HE LYS 9 2HE LYS 9 17.856 -3.391 -1.091 566 1HZ LYS 9 1HZ LYS 9 19.304 -0.955 -1.938 567 2HZ LYS 9 2HZ LYS 9 19.490 -2.423 -2.775 568 3HZ LYS 9 3HZ LYS 9 17.961 -1.697 -2.669 569 H ALA 10 H ALA 10 14.846 2.297 1.514 570 HA ALA 10 HA ALA 10 15.632 1.936 4.209 571 1HB ALA 10 1HB ALA 10 14.434 4.278 4.356 572 2HB ALA 10 2HB ALA 10 15.840 4.092 3.308 573 3HB ALA 10 3HB ALA 10 14.217 4.062 2.619 574 H GLU 11 H GLU 11 12.343 2.357 2.857 575 HA GLU 11 HA GLU 11 10.925 2.221 5.333 576 1HB GLU 11 1HB GLU 11 10.290 1.613 2.442 577 2HB GLU 11 2HB GLU 11 9.064 1.468 3.702 578 1HG GLU 11 1HG GLU 11 8.794 3.704 3.811 579 2HG GLU 11 2HG GLU 11 10.534 3.969 3.933 580 H ALA 12 H ALA 12 11.914 -0.322 3.036 581 HA ALA 12 HA ALA 12 10.596 -2.509 4.336 582 1HB ALA 12 1HB ALA 12 11.348 -3.261 2.332 583 2HB ALA 12 2HB ALA 12 12.570 -1.992 2.242 584 3HB ALA 12 3HB ALA 12 12.911 -3.485 3.118 585 H VAL 13 H VAL 13 13.801 -1.035 4.791 586 HA VAL 13 HA VAL 13 14.860 -3.008 6.584 587 HB VAL 13 HB VAL 13 15.394 -0.024 6.384 588 1HG1 VAL 13 1HG1 VAL 13 16.481 -2.095 8.045 589 2HG1 VAL 13 2HG1 VAL 13 17.721 -1.584 6.900 590 3HG1 VAL 13 3HG1 VAL 13 16.956 -0.398 7.958 591 1HG2 VAL 13 1HG2 VAL 13 15.582 -1.889 4.355 592 2HG2 VAL 13 2HG2 VAL 13 16.519 -0.398 4.445 593 3HG2 VAL 13 3HG2 VAL 13 17.209 -1.909 5.036 594 H ALA 14 H ALA 14 13.133 0.070 7.183 595 HA ALA 14 HA ALA 14 13.222 0.030 10.024 596 1HB ALA 14 1HB ALA 14 11.401 1.165 7.911 597 2HB ALA 14 2HB ALA 14 12.511 2.015 8.986 598 3HB ALA 14 3HB ALA 14 10.997 1.366 9.616 599 H THR 15 H THR 15 11.002 -1.541 7.742 600 HA THR 15 HA THR 15 9.078 -2.436 9.686 601 HB THR 15 HB THR 15 9.913 -3.318 6.913 602 HG1 THR 15 HG1 THR 15 8.366 -2.001 6.316 603 1HG2 THR 15 1HG2 THR 15 8.922 -5.206 8.281 604 2HG2 THR 15 2HG2 THR 15 7.455 -4.236 8.421 605 3HG2 THR 15 3HG2 THR 15 8.005 -4.778 6.836 606 H VAL 16 H VAL 16 11.996 -3.952 8.291 607 HA VAL 16 HA VAL 16 11.661 -6.491 9.630 608 HB VAL 16 HB VAL 16 14.122 -5.078 8.546 609 1HG1 VAL 16 1HG1 VAL 16 14.454 -7.110 10.061 610 2HG1 VAL 16 2HG1 VAL 16 13.619 -8.049 8.825 611 3HG1 VAL 16 3HG1 VAL 16 15.139 -7.241 8.441 612 1HG2 VAL 16 1HG2 VAL 16 11.769 -6.107 7.257 613 2HG2 VAL 16 2HG2 VAL 16 13.199 -5.390 6.515 614 3HG2 VAL 16 3HG2 VAL 16 13.144 -7.126 6.828 615 H VAL 17 H VAL 17 13.468 -3.521 10.420 616 HA VAL 17 HA VAL 17 14.838 -4.487 12.728 617 HB VAL 17 HB VAL 17 13.740 -1.703 12.228 618 1HG1 VAL 17 1HG1 VAL 17 15.717 -2.920 14.052 619 2HG1 VAL 17 2HG1 VAL 17 16.281 -1.468 13.225 620 3HG1 VAL 17 3HG1 VAL 17 14.819 -1.411 14.209 621 1HG2 VAL 17 1HG2 VAL 17 15.289 -3.188 10.455 622 2HG2 VAL 17 2HG2 VAL 17 15.174 -1.430 10.494 623 3HG2 VAL 17 3HG2 VAL 17 16.481 -2.248 11.350 624 H ALA 18 H ALA 18 11.683 -2.803 12.458 625 HA ALA 18 HA ALA 18 11.057 -2.779 15.239 626 1HB ALA 18 1HB ALA 18 9.360 -2.900 12.728 627 2HB ALA 18 2HB ALA 18 9.871 -1.451 13.593 628 3HB ALA 18 3HB ALA 18 8.708 -2.553 14.329 629 H ALA 19 H ALA 19 10.225 -5.175 12.708 630 HA ALA 19 HA ALA 19 8.758 -6.949 14.419 631 1HB ALA 19 1HB ALA 19 8.532 -7.090 12.046 632 2HB ALA 19 2HB ALA 19 10.275 -7.223 11.817 633 3HB ALA 19 3HB ALA 19 9.373 -8.567 12.516 634 H VAL 20 H VAL 20 12.192 -6.845 13.464 635 HA VAL 20 HA VAL 20 12.979 -9.267 14.798 636 HB VAL 20 HB VAL 20 14.502 -6.746 14.058 637 1HG1 VAL 20 1HG1 VAL 20 15.328 -9.018 15.536 638 2HG1 VAL 20 2HG1 VAL 20 16.013 -9.197 13.921 639 3HG1 VAL 20 3HG1 VAL 20 16.350 -7.746 14.864 640 1HG2 VAL 20 1HG2 VAL 20 13.140 -8.423 12.383 641 2HG2 VAL 20 2HG2 VAL 20 14.592 -7.537 11.917 642 3HG2 VAL 20 3HG2 VAL 20 14.714 -9.217 12.440 643 H ASP 21 H ASP 21 12.912 -5.854 15.831 644 HA ASP 21 HA ASP 21 14.235 -6.212 18.347 645 1HB ASP 21 1HB ASP 21 12.777 -4.201 16.848 646 2HB ASP 21 2HB ASP 21 12.349 -4.127 18.558 647 H GLN 22 H GLN 22 10.852 -6.588 17.355 648 HA GLN 22 HA GLN 22 9.611 -6.701 19.903 649 1HB GLN 22 1HB GLN 22 8.715 -6.734 17.447 650 2HB GLN 22 2HB GLN 22 8.869 -8.485 17.590 651 1HG GLN 22 1HG GLN 22 7.294 -8.604 19.341 652 2HG GLN 22 2HG GLN 22 7.429 -6.882 19.699 653 2HE2 GLN 22 2HE2 GLN 22 5.014 -6.784 19.411 654 1HE2 GLN 22 1HE2 GLN 22 4.370 -6.717 17.843 655 H ALA 23 H ALA 23 10.964 -9.381 17.943 656 HA ALA 23 HA ALA 23 10.463 -11.436 19.886 657 1HB ALA 23 1HB ALA 23 11.476 -12.757 18.291 658 2HB ALA 23 2HB ALA 23 11.201 -11.328 17.297 659 3HB ALA 23 3HB ALA 23 12.783 -11.605 18.024 660 H ARG 24 H ARG 24 13.251 -9.304 19.303 661 HA ARG 24 HA ARG 24 15.021 -10.602 21.181 662 1HB ARG 24 1HB ARG 24 15.605 -9.075 19.254 663 2HB ARG 24 2HB ARG 24 14.998 -7.727 20.217 664 1HG ARG 24 1HG ARG 24 16.681 -7.999 21.865 665 2HG ARG 24 2HG ARG 24 17.097 -9.613 21.290 666 1HD ARG 24 1HD ARG 24 18.135 -8.745 19.308 667 2HD ARG 24 2HD ARG 24 17.472 -7.123 19.596 668 HE ARG 24 HE ARG 24 19.789 -8.278 20.949 669 1HH1 ARG 24 1HH1 ARG 24 17.126 -6.086 21.128 670 2HH1 ARG 24 2HH1 ARG 24 17.871 -5.077 22.322 671 1HH2 ARG 24 1HH2 ARG 24 20.768 -6.967 22.509 672 2HH2 ARG 24 2HH2 ARG 24 19.927 -5.576 23.104 673 H VAL 25 H VAL 25 12.703 -7.914 21.457 674 HA VAL 25 HA VAL 25 13.411 -6.869 23.963 675 HB VAL 25 HB VAL 25 11.584 -6.242 22.232 676 1HG1 VAL 25 1HG1 VAL 25 10.529 -8.664 22.965 677 2HG1 VAL 25 2HG1 VAL 25 9.594 -7.555 23.967 678 3HG1 VAL 25 3HG1 VAL 25 9.607 -7.361 22.213 679 1HG2 VAL 25 1HG2 VAL 25 12.029 -5.510 24.850 680 2HG2 VAL 25 2HG2 VAL 25 10.884 -4.720 23.765 681 3HG2 VAL 25 3HG2 VAL 25 10.325 -5.968 24.878 682 H ARG 26 H ARG 26 12.011 -9.947 23.200 683 HA ARG 26 HA ARG 26 11.370 -10.468 26.069 684 1HB ARG 26 1HB ARG 26 9.993 -10.937 23.759 685 2HB ARG 26 2HB ARG 26 10.816 -12.483 23.970 686 1HG ARG 26 1HG ARG 26 9.484 -13.056 25.698 687 2HG ARG 26 2HG ARG 26 9.727 -11.496 26.485 688 1HD ARG 26 1HD ARG 26 7.827 -10.581 25.556 689 2HD ARG 26 2HD ARG 26 7.985 -11.522 24.060 690 HE ARG 26 HE ARG 26 7.515 -13.309 26.247 691 1HH1 ARG 26 1HH1 ARG 26 5.990 -10.895 24.302 692 2HH1 ARG 26 2HH1 ARG 26 4.407 -11.574 24.477 693 1HH2 ARG 26 1HH2 ARG 26 5.455 -14.199 26.480 694 2HH2 ARG 26 2HH2 ARG 26 4.103 -13.440 25.707 695 H GLU 27 H GLU 27 14.118 -10.476 24.595 696 HA GLU 27 HA GLU 27 14.923 -13.309 24.965 697 1HB GLU 27 1HB GLU 27 15.530 -11.434 23.112 698 2HB GLU 27 2HB GLU 27 16.853 -11.160 24.248 699 1HG GLU 27 1HG GLU 27 16.464 -13.994 23.874 700 2HG GLU 27 2HG GLU 27 16.663 -13.207 22.307 701 HA PRO 28 HA PRO 28 16.255 -12.216 29.061 702 1HB PRO 28 1HB PRO 28 17.509 -14.639 29.585 703 2HB PRO 28 2HB PRO 28 15.782 -14.325 29.832 704 1HG PRO 28 1HG PRO 28 17.150 -15.714 27.597 705 2HG PRO 28 2HG PRO 28 15.581 -16.047 28.347 706 1HD PRO 28 1HD PRO 28 15.823 -14.822 25.951 707 2HD PRO 28 2HD PRO 28 14.490 -14.479 27.076 708 H ARG 29 H ARG 29 18.292 -11.606 29.971 709 HA ARG 29 HA ARG 29 20.390 -10.895 28.208 710 1HB ARG 29 1HB ARG 29 20.423 -11.463 31.192 711 2HB ARG 29 2HB ARG 29 21.627 -10.508 30.324 712 1HG ARG 29 1HG ARG 29 19.557 -9.128 29.504 713 2HG ARG 29 2HG ARG 29 18.752 -9.848 30.900 714 1HD ARG 29 1HD ARG 29 20.666 -9.018 32.334 715 2HD ARG 29 2HD ARG 29 21.250 -8.122 30.916 716 HE ARG 29 HE ARG 29 19.446 -6.623 31.197 717 1HH1 ARG 29 1HH1 ARG 29 18.906 -9.606 32.854 718 2HH1 ARG 29 2HH1 ARG 29 17.433 -9.076 33.594 719 1HH2 ARG 29 1HH2 ARG 29 17.527 -5.923 32.157 720 2HH2 ARG 29 2HH2 ARG 29 16.652 -6.994 33.199 No H/Q in entry = 720 Start of MODEL 18 1 H MET 1 H MET 1 6.004 -0.852 1.053 2 HA MET 1 HA MET 1 4.842 -0.661 3.807 3 1HB MET 1 1HB MET 1 4.375 1.689 3.084 4 2HB MET 1 2HB MET 1 6.090 1.284 2.992 5 1HG MET 1 1HG MET 1 6.121 1.675 0.776 6 2HG MET 1 2HG MET 1 4.770 0.571 0.521 7 1HE MET 1 1HE MET 1 3.701 1.277 -1.012 8 2HE MET 1 2HE MET 1 2.344 2.392 -0.871 9 3HE MET 1 3HE MET 1 3.850 2.937 -1.606 10 H ALA 2 H ALA 2 3.327 -2.469 3.121 11 HA ALA 2 HA ALA 2 1.171 -1.518 1.273 12 1HB ALA 2 1HB ALA 2 2.033 -4.252 2.266 13 2HB ALA 2 2HB ALA 2 2.247 -3.603 0.640 14 3HB ALA 2 3HB ALA 2 0.629 -3.983 1.232 15 H ASP 3 H ASP 3 -1.078 -2.094 1.968 16 HA ASP 3 HA ASP 3 -1.456 -1.519 4.841 17 1HB ASP 3 1HB ASP 3 -3.149 -1.650 2.351 18 2HB ASP 3 2HB ASP 3 -3.913 -1.567 3.938 19 H THR 4 H THR 4 -0.360 -3.927 4.939 20 HA THR 4 HA THR 4 -2.533 -5.976 4.842 21 HB THR 4 HB THR 4 -0.390 -6.384 3.657 22 HG1 THR 4 HG1 THR 4 -1.620 -8.056 4.875 23 1HG2 THR 4 1HG2 THR 4 0.664 -5.336 6.136 24 2HG2 THR 4 2HG2 THR 4 1.364 -6.919 5.796 25 3HG2 THR 4 3HG2 THR 4 1.499 -5.621 4.608 26 H ASP 5 H ASP 5 -0.941 -7.609 6.789 27 HA ASP 5 HA ASP 5 -2.042 -6.380 9.264 28 1HB ASP 5 1HB ASP 5 -1.028 -9.123 8.471 29 2HB ASP 5 2HB ASP 5 -1.521 -8.730 10.118 30 H THR 6 H THR 6 0.725 -8.565 9.109 31 HA THR 6 HA THR 6 2.642 -6.432 9.811 32 HB THR 6 HB THR 6 2.191 -8.684 11.765 33 HG1 THR 6 HG1 THR 6 0.992 -6.855 12.878 34 1HG2 THR 6 1HG2 THR 6 4.062 -6.634 11.546 35 2HG2 THR 6 2HG2 THR 6 2.924 -6.042 12.756 36 3HG2 THR 6 3HG2 THR 6 3.734 -7.591 12.990 37 H ALA 7 H ALA 7 2.034 -9.953 9.675 38 HA ALA 7 HA ALA 7 4.808 -10.685 9.328 39 1HB ALA 7 1HB ALA 7 2.979 -12.160 10.165 40 2HB ALA 7 2HB ALA 7 3.822 -12.875 8.791 41 3HB ALA 7 3HB ALA 7 2.245 -12.122 8.561 42 H GLU 8 H GLU 8 2.105 -10.131 7.074 43 HA GLU 8 HA GLU 8 3.418 -10.884 4.662 44 1HB GLU 8 1HB GLU 8 0.951 -10.152 5.318 45 2HB GLU 8 2HB GLU 8 1.520 -8.562 4.808 46 1HG GLU 8 1HG GLU 8 0.865 -9.295 2.744 47 2HG GLU 8 2HG GLU 8 2.448 -10.072 2.757 48 H GLN 9 H GLN 9 3.415 -7.839 6.489 49 HA GLN 9 HA GLN 9 4.775 -6.224 4.551 50 1HB GLN 9 1HB GLN 9 3.596 -5.919 7.014 51 2HB GLN 9 2HB GLN 9 5.304 -5.720 7.412 52 1HG GLN 9 1HG GLN 9 5.372 -4.136 5.352 53 2HG GLN 9 2HG GLN 9 3.616 -4.101 5.515 54 2HE2 GLN 9 2HE2 GLN 9 3.917 -1.745 6.098 55 1HE2 GLN 9 1HE2 GLN 9 4.359 -1.346 7.688 56 H VAL 10 H VAL 10 6.005 -8.190 7.278 57 HA VAL 10 HA VAL 10 8.755 -7.522 7.058 58 HB VAL 10 HB VAL 10 7.266 -10.026 7.892 59 1HG1 VAL 10 1HG1 VAL 10 10.207 -9.340 8.110 60 2HG1 VAL 10 2HG1 VAL 10 9.431 -10.585 9.088 61 3HG1 VAL 10 3HG1 VAL 10 9.491 -10.753 7.334 62 1HG2 VAL 10 1HG2 VAL 10 8.454 -7.640 9.325 63 2HG2 VAL 10 2HG2 VAL 10 6.779 -8.193 9.343 64 3HG2 VAL 10 3HG2 VAL 10 8.025 -9.127 10.173 65 H ILE 11 H ILE 11 6.881 -10.085 5.425 66 HA ILE 11 HA ILE 11 9.058 -11.241 3.969 67 HB ILE 11 HB ILE 11 6.061 -11.062 3.574 68 1HG1 ILE 11 1HG1 ILE 11 7.405 -13.648 4.031 69 2HG1 ILE 11 2HG1 ILE 11 7.587 -12.498 5.358 70 1HG2 ILE 11 1HG2 ILE 11 8.150 -12.510 1.931 71 2HG2 ILE 11 2HG2 ILE 11 6.451 -12.988 1.942 72 3HG2 ILE 11 3HG2 ILE 11 6.913 -11.387 1.363 73 1HD1 ILE 11 1HD1 ILE 11 4.979 -12.142 4.919 74 2HD1 ILE 11 2HD1 ILE 11 5.111 -13.782 4.287 75 3HD1 ILE 11 3HD1 ILE 11 5.566 -13.441 5.956 76 H ALA 12 H ALA 12 6.619 -8.787 3.020 77 HA ALA 12 HA ALA 12 7.615 -8.265 0.405 78 1HB ALA 12 1HB ALA 12 6.228 -6.535 2.480 79 2HB ALA 12 2HB ALA 12 6.448 -6.049 0.799 80 3HB ALA 12 3HB ALA 12 5.462 -7.458 1.188 81 H SER 13 H SER 13 8.458 -6.823 3.560 82 HA SER 13 HA SER 13 10.377 -4.937 2.557 83 1HB SER 13 1HB SER 13 11.242 -5.441 5.042 84 2HB SER 13 2HB SER 13 9.744 -4.559 4.762 85 HG SER 13 HG SER 13 8.769 -6.134 5.729 86 H PHE 14 H PHE 14 10.695 -8.272 3.821 87 HA PHE 14 HA PHE 14 13.520 -8.552 3.480 88 1HB PHE 14 1HB PHE 14 11.105 -10.270 3.753 89 2HB PHE 14 2HB PHE 14 12.533 -11.054 3.080 90 HD1 PHE 14 HD1 PHE 14 10.866 -10.467 6.052 91 HD2 PHE 14 HD2 PHE 14 14.814 -10.226 4.378 92 HE1 PHE 14 HE1 PHE 14 11.840 -10.643 8.325 93 HE2 PHE 14 HE2 PHE 14 15.788 -10.401 6.652 94 HZ PHE 14 HZ PHE 14 14.300 -10.610 8.626 95 H ARG 15 H ARG 15 10.793 -9.216 1.280 96 HA ARG 15 HA ARG 15 12.181 -10.315 -0.912 97 1HB ARG 15 1HB ARG 15 9.662 -9.864 -0.452 98 2HB ARG 15 2HB ARG 15 9.965 -8.267 -1.136 99 1HG ARG 15 1HG ARG 15 11.007 -9.523 -3.136 100 2HG ARG 15 2HG ARG 15 10.210 -10.956 -2.485 101 1HD ARG 15 1HD ARG 15 8.200 -9.031 -2.412 102 2HD ARG 15 2HD ARG 15 9.038 -8.704 -3.942 103 HE ARG 15 HE ARG 15 8.863 -11.435 -3.965 104 1HH1 ARG 15 1HH1 ARG 15 6.595 -8.905 -3.338 105 2HH1 ARG 15 2HH1 ARG 15 5.237 -9.801 -3.929 106 1HH2 ARG 15 1HH2 ARG 15 7.097 -12.607 -4.747 107 2HH2 ARG 15 2HH2 ARG 15 5.520 -11.891 -4.729 108 H ILE 16 H ILE 16 11.702 -6.921 0.034 109 HA ILE 16 HA ILE 16 13.015 -5.741 -2.242 110 HB ILE 16 HB ILE 16 12.417 -4.876 0.597 111 1HG1 ILE 16 1HG1 ILE 16 11.276 -3.951 -2.057 112 2HG1 ILE 16 2HG1 ILE 16 10.560 -5.240 -1.087 113 1HG2 ILE 16 1HG2 ILE 16 13.995 -3.527 -1.543 114 2HG2 ILE 16 2HG2 ILE 16 12.843 -2.536 -0.650 115 3HG2 ILE 16 3HG2 ILE 16 14.127 -3.385 0.209 116 1HD1 ILE 16 1HD1 ILE 16 11.167 -2.611 0.220 117 2HD1 ILE 16 2HD1 ILE 16 9.731 -2.749 -0.795 118 3HD1 ILE 16 3HD1 ILE 16 9.919 -3.792 0.615 119 H LEU 17 H LEU 17 14.206 -6.587 1.046 120 HA LEU 17 HA LEU 17 16.856 -5.606 0.761 121 1HB LEU 17 1HB LEU 17 15.981 -8.126 2.205 122 2HB LEU 17 2HB LEU 17 17.340 -7.082 2.619 123 HG LEU 17 HG LEU 17 14.394 -6.536 2.922 124 1HD1 LEU 17 1HD1 LEU 17 16.756 -6.919 4.650 125 2HD1 LEU 17 2HD1 LEU 17 15.699 -5.590 5.126 126 3HD1 LEU 17 3HD1 LEU 17 15.053 -7.224 4.989 127 1HD2 LEU 17 1HD2 LEU 17 16.665 -4.572 2.640 128 2HD2 LEU 17 2HD2 LEU 17 15.062 -4.514 1.904 129 3HD2 LEU 17 3HD2 LEU 17 15.255 -4.182 3.626 130 H ALA 18 H ALA 18 15.460 -8.768 -0.104 131 HA ALA 18 HA ALA 18 17.996 -9.814 -1.124 132 1HB ALA 18 1HB ALA 18 15.425 -11.030 -1.939 133 2HB ALA 18 2HB ALA 18 16.810 -11.768 -1.136 134 3HB ALA 18 3HB ALA 18 15.636 -10.845 -0.197 135 H SER 19 H SER 19 16.046 -7.444 -2.303 136 HA SER 19 HA SER 19 15.871 -6.471 -4.454 137 1HB SER 19 1HB SER 19 18.318 -7.654 -4.283 138 2HB SER 19 2HB SER 19 17.637 -8.535 -5.648 139 HG SER 19 HG SER 19 17.402 -6.656 -6.745 140 H ASP 20 H ASP 20 13.669 -7.759 -4.094 141 HA ASP 20 HA ASP 20 11.959 -9.073 -5.065 142 1HB ASP 20 1HB ASP 20 13.472 -7.679 -7.022 143 2HB ASP 20 2HB ASP 20 13.135 -9.276 -7.690 144 H LYS 21 H LYS 21 13.440 -10.773 -3.658 145 HA LYS 21 HA LYS 21 13.764 -13.127 -5.459 146 1HB LYS 21 1HB LYS 21 15.779 -11.961 -3.521 147 2HB LYS 21 2HB LYS 21 15.909 -13.600 -4.159 148 1HG LYS 21 1HG LYS 21 15.553 -12.331 -6.480 149 2HG LYS 21 2HG LYS 21 16.241 -10.986 -5.568 150 1HD LYS 21 1HD LYS 21 18.214 -12.284 -5.022 151 2HD LYS 21 2HD LYS 21 17.511 -13.732 -5.746 152 1HE LYS 21 1HE LYS 21 18.051 -13.073 -7.865 153 2HE LYS 21 2HE LYS 21 17.606 -11.385 -7.547 154 1HZ LYS 21 1HZ LYS 21 19.636 -11.410 -6.006 155 2HZ LYS 21 2HZ LYS 21 20.115 -12.790 -6.873 156 3HZ LYS 21 3HZ LYS 21 19.912 -11.307 -7.676 157 HA PRO 22 HA PRO 22 11.531 -14.934 -2.134 158 1HB PRO 22 1HB PRO 22 12.598 -17.516 -3.157 159 2HB PRO 22 2HB PRO 22 10.915 -17.008 -2.922 160 1HG PRO 22 1HG PRO 22 12.018 -17.180 -5.351 161 2HG PRO 22 2HG PRO 22 10.807 -15.953 -4.946 162 1HD PRO 22 1HD PRO 22 13.734 -15.661 -5.325 163 2HD PRO 22 2HD PRO 22 12.424 -14.503 -5.643 164 H TYR 23 H TYR 23 14.868 -14.927 -2.482 165 HA TYR 23 HA TYR 23 15.213 -15.941 0.303 166 1HB TYR 23 1HB TYR 23 17.213 -17.224 -0.538 167 2HB TYR 23 2HB TYR 23 15.677 -17.821 -1.166 168 HD1 TYR 23 HD1 TYR 23 15.456 -18.137 -3.465 169 HD2 TYR 23 HD2 TYR 23 18.348 -15.321 -1.997 170 HE1 TYR 23 HE1 TYR 23 16.249 -17.742 -5.782 171 HE2 TYR 23 HE2 TYR 23 19.141 -14.926 -4.314 172 HH TYR 23 HH TYR 23 19.075 -16.441 -6.561 173 H ILE 24 H ILE 24 17.081 -15.017 1.352 174 HA ILE 24 HA ILE 24 18.329 -12.730 -0.144 175 HB ILE 24 HB ILE 24 16.582 -12.268 1.679 176 1HG1 ILE 24 1HG1 ILE 24 19.410 -11.195 1.871 177 2HG1 ILE 24 2HG1 ILE 24 18.055 -10.493 0.987 178 1HG2 ILE 24 1HG2 ILE 24 17.815 -14.150 3.107 179 2HG2 ILE 24 2HG2 ILE 24 18.767 -12.772 3.656 180 3HG2 ILE 24 3HG2 ILE 24 17.020 -12.784 3.889 181 1HD1 ILE 24 1HD1 ILE 24 18.068 -10.876 3.992 182 2HD1 ILE 24 2HD1 ILE 24 18.546 -9.374 3.201 183 3HD1 ILE 24 3HD1 ILE 24 16.895 -9.970 3.036 184 H LEU 25 H LEU 25 20.566 -12.399 0.228 185 HA LEU 25 HA LEU 25 22.076 -14.744 1.120 186 1HB LEU 25 1HB LEU 25 22.718 -11.991 0.041 187 2HB LEU 25 2HB LEU 25 23.984 -13.124 0.512 188 HG LEU 25 HG LEU 25 22.248 -14.652 -1.050 189 1HD1 LEU 25 1HD1 LEU 25 22.656 -11.890 -2.239 190 2HD1 LEU 25 2HD1 LEU 25 22.106 -13.296 -3.150 191 3HD1 LEU 25 3HD1 LEU 25 21.112 -12.647 -1.847 192 1HD2 LEU 25 1HD2 LEU 25 24.900 -13.293 -1.514 193 2HD2 LEU 25 2HD2 LEU 25 24.573 -15.001 -1.219 194 3HD2 LEU 25 3HD2 LEU 25 24.164 -14.281 -2.776 195 H ALA 26 H ALA 26 23.253 -14.902 3.039 196 HA ALA 26 HA ALA 26 22.455 -13.423 5.332 197 1HB ALA 26 1HB ALA 26 25.147 -14.570 5.436 198 2HB ALA 26 2HB ALA 26 23.698 -15.042 6.323 199 3HB ALA 26 3HB ALA 26 23.976 -15.662 4.695 200 H GLU 27 H GLU 27 25.290 -13.038 3.203 201 HA GLU 27 HA GLU 27 26.594 -10.987 4.725 202 1HB GLU 27 1HB GLU 27 26.593 -12.053 1.932 203 2HB GLU 27 2HB GLU 27 27.431 -10.532 2.232 204 1HG GLU 27 1HG GLU 27 28.965 -11.515 3.704 205 2HG GLU 27 2HG GLU 27 27.912 -12.891 4.034 206 H GLU 28 H GLU 28 24.071 -10.896 2.227 207 HA GLU 28 HA GLU 28 24.095 -8.038 1.832 208 1HB GLU 28 1HB GLU 28 22.657 -10.402 0.990 209 2HB GLU 28 2HB GLU 28 21.518 -9.101 1.341 210 1HG GLU 28 1HG GLU 28 22.020 -8.522 -0.825 211 2HG GLU 28 2HG GLU 28 23.348 -7.684 -0.023 212 H LEU 29 H LEU 29 21.968 -10.176 3.769 213 HA LEU 29 HA LEU 29 20.462 -8.037 4.956 214 1HB LEU 29 1HB LEU 29 19.433 -9.774 6.127 215 2HB LEU 29 2HB LEU 29 20.067 -10.625 4.724 216 HG LEU 29 HG LEU 29 22.175 -11.007 6.215 217 1HD1 LEU 29 1HD1 LEU 29 20.464 -9.569 7.998 218 2HD1 LEU 29 2HD1 LEU 29 20.641 -11.211 8.616 219 3HD1 LEU 29 3HD1 LEU 29 22.070 -10.219 8.321 220 1HD2 LEU 29 1HD2 LEU 29 20.225 -12.624 5.499 221 2HD2 LEU 29 2HD2 LEU 29 21.334 -13.114 6.779 222 3HD2 LEU 29 3HD2 LEU 29 19.742 -12.477 7.190 223 H ARG 30 H ARG 30 23.445 -9.700 5.870 224 HA ARG 30 HA ARG 30 23.628 -8.627 8.537 225 1HB ARG 30 1HB ARG 30 24.815 -10.624 7.487 226 2HB ARG 30 2HB ARG 30 25.890 -9.458 6.712 227 1HG ARG 30 1HG ARG 30 26.383 -8.507 8.991 228 2HG ARG 30 2HG ARG 30 25.463 -9.841 9.687 229 1HD ARG 30 1HD ARG 30 27.624 -10.728 9.738 230 2HD ARG 30 2HD ARG 30 27.081 -11.304 8.149 231 HE ARG 30 HE ARG 30 28.065 -8.852 7.507 232 1HH1 ARG 30 1HH1 ARG 30 29.295 -11.426 9.462 233 2HH1 ARG 30 2HH1 ARG 30 30.952 -11.033 9.159 234 1HH2 ARG 30 1HH2 ARG 30 30.225 -8.341 7.103 235 2HH2 ARG 30 2HH2 ARG 30 31.478 -9.292 7.827 236 H ARG 31 H ARG 31 24.746 -7.444 5.377 237 HA ARG 31 HA ARG 31 26.239 -5.223 6.604 238 1HB ARG 31 1HB ARG 31 26.480 -6.675 4.327 239 2HB ARG 31 2HB ARG 31 25.611 -5.270 3.708 240 1HG ARG 31 1HG ARG 31 27.302 -3.769 4.612 241 2HG ARG 31 2HG ARG 31 28.141 -5.123 5.368 242 1HD ARG 31 1HD ARG 31 29.360 -4.757 3.368 243 2HD ARG 31 2HD ARG 31 28.276 -6.091 2.940 244 HE ARG 31 HE ARG 31 28.004 -3.283 2.055 245 1HH1 ARG 31 1HH1 ARG 31 26.619 -6.453 2.353 246 2HH1 ARG 31 2HH1 ARG 31 25.411 -6.163 1.150 247 1HH2 ARG 31 1HH2 ARG 31 26.433 -2.925 0.491 248 2HH2 ARG 31 2HH2 ARG 31 25.304 -4.178 0.101 249 H GLU 32 H GLU 32 23.020 -5.740 5.310 250 HA GLU 32 HA GLU 32 22.547 -2.835 4.975 251 1HB GLU 32 1HB GLU 32 20.410 -3.591 4.098 252 2HB GLU 32 2HB GLU 32 21.681 -4.617 3.432 253 1HG GLU 32 1HG GLU 32 21.197 -6.363 5.029 254 2HG GLU 32 2HG GLU 32 20.068 -5.323 5.897 255 H LEU 33 H LEU 33 21.973 -5.349 7.347 256 HA LEU 33 HA LEU 33 20.116 -3.569 8.855 257 1HB LEU 33 1HB LEU 33 20.730 -6.484 8.672 258 2HB LEU 33 2HB LEU 33 20.143 -5.877 10.217 259 HG LEU 33 HG LEU 33 18.741 -5.139 7.659 260 1HD1 LEU 33 1HD1 LEU 33 18.270 -7.626 9.334 261 2HD1 LEU 33 2HD1 LEU 33 17.241 -7.075 8.012 262 3HD1 LEU 33 3HD1 LEU 33 18.893 -7.598 7.684 263 1HD2 LEU 33 1HD2 LEU 33 18.303 -4.916 10.567 264 2HD2 LEU 33 2HD2 LEU 33 17.649 -3.937 9.254 265 3HD2 LEU 33 3HD2 LEU 33 16.892 -5.475 9.668 266 HA PRO 34 HA PRO 34 23.146 -2.451 11.784 267 1HB PRO 34 1HB PRO 34 21.414 -3.076 14.047 268 2HB PRO 34 2HB PRO 34 21.932 -1.491 13.452 269 1HG PRO 34 1HG PRO 34 19.422 -2.851 13.044 270 2HG PRO 34 2HG PRO 34 19.872 -1.192 12.636 271 1HD PRO 34 1HD PRO 34 19.373 -3.165 10.795 272 2HD PRO 34 2HD PRO 34 20.369 -1.727 10.484 273 HA PRO 35 HA PRO 35 25.324 -6.137 12.740 274 1HB PRO 35 1HB PRO 35 25.853 -4.974 15.420 275 2HB PRO 35 2HB PRO 35 27.001 -5.534 14.188 276 1HG PRO 35 1HG PRO 35 26.632 -2.938 14.688 277 2HG PRO 35 2HG PRO 35 26.971 -3.543 13.059 278 1HD PRO 35 1HD PRO 35 24.396 -2.612 14.226 279 2HD PRO 35 2HD PRO 35 25.025 -2.433 12.574 280 H ASP 36 H ASP 36 23.317 -4.743 15.356 281 HA ASP 36 HA ASP 36 22.890 -7.205 16.765 282 1HB ASP 36 1HB ASP 36 20.930 -5.850 17.687 283 2HB ASP 36 2HB ASP 36 22.516 -5.091 17.826 284 H GLN 37 H GLN 37 20.876 -5.526 14.308 285 HA GLN 37 HA GLN 37 18.774 -7.505 14.320 286 1HB GLN 37 1HB GLN 37 19.530 -5.038 12.995 287 2HB GLN 37 2HB GLN 37 18.856 -6.183 11.834 288 1HG GLN 37 1HG GLN 37 17.069 -4.815 12.827 289 2HG GLN 37 2HG GLN 37 16.890 -6.504 13.303 290 2HE2 GLN 37 2HE2 GLN 37 17.287 -7.064 15.542 291 1HE2 GLN 37 1HE2 GLN 37 17.484 -5.880 16.744 292 H ALA 38 H ALA 38 21.695 -7.058 12.345 293 HA ALA 38 HA ALA 38 21.179 -9.019 10.350 294 1HB ALA 38 1HB ALA 38 23.559 -7.689 11.595 295 2HB ALA 38 2HB ALA 38 23.830 -9.022 10.471 296 3HB ALA 38 3HB ALA 38 22.962 -7.582 9.940 297 H GLN 39 H GLN 39 22.829 -9.336 13.509 298 HA GLN 39 HA GLN 39 23.618 -12.056 13.264 299 1HB GLN 39 1HB GLN 39 24.004 -10.096 15.032 300 2HB GLN 39 2HB GLN 39 22.698 -10.927 15.877 301 1HG GLN 39 1HG GLN 39 24.970 -12.551 14.788 302 2HG GLN 39 2HG GLN 39 25.214 -11.642 16.280 303 2HE2 GLN 39 2HE2 GLN 39 24.155 -14.620 15.124 304 1HE2 GLN 39 1HE2 GLN 39 23.217 -15.098 16.455 305 H TYR 40 H TYR 40 20.607 -10.666 14.613 306 HA TYR 40 HA TYR 40 19.417 -13.122 15.441 307 1HB TYR 40 1HB TYR 40 18.861 -10.420 15.492 308 2HB TYR 40 2HB TYR 40 17.614 -11.041 14.411 309 HD1 TYR 40 HD1 TYR 40 15.836 -12.437 15.218 310 HD2 TYR 40 HD2 TYR 40 19.096 -11.353 17.798 311 HE1 TYR 40 HE1 TYR 40 14.586 -13.321 17.169 312 HE2 TYR 40 HE2 TYR 40 17.845 -12.236 19.748 313 HH TYR 40 HH TYR 40 14.503 -13.189 19.510 314 H CYS 41 H CYS 41 19.211 -11.372 12.331 315 HA CYS 41 HA CYS 41 17.274 -13.062 11.089 316 1HB CYS 41 1HB CYS 41 19.487 -11.236 10.168 317 2HB CYS 41 2HB CYS 41 18.512 -12.119 8.994 318 HG CYS 41 HG CYS 41 16.770 -10.641 11.007 319 H ILE 42 H ILE 42 20.856 -13.145 10.844 320 HA ILE 42 HA ILE 42 20.987 -15.489 9.208 321 HB ILE 42 HB ILE 42 22.807 -13.951 11.039 322 1HG1 ILE 42 1HG1 ILE 42 23.807 -14.510 8.405 323 2HG1 ILE 42 2HG1 ILE 42 22.129 -13.981 8.276 324 1HG2 ILE 42 1HG2 ILE 42 23.361 -16.657 9.812 325 2HG2 ILE 42 2HG2 ILE 42 24.658 -15.522 10.181 326 3HG2 ILE 42 3HG2 ILE 42 23.632 -16.138 11.475 327 1HD1 ILE 42 1HD1 ILE 42 23.246 -12.274 10.188 328 2HD1 ILE 42 2HD1 ILE 42 24.498 -12.431 8.955 329 3HD1 ILE 42 3HD1 ILE 42 22.887 -11.872 8.510 330 H LYS 43 H LYS 43 20.296 -15.086 12.576 331 HA LYS 43 HA LYS 43 21.143 -17.781 13.373 332 1HB LYS 43 1HB LYS 43 20.723 -15.373 14.615 333 2HB LYS 43 2HB LYS 43 19.256 -16.249 15.049 334 1HG LYS 43 1HG LYS 43 21.135 -18.183 15.451 335 2HG LYS 43 2HG LYS 43 22.055 -16.737 15.872 336 1HD LYS 43 1HD LYS 43 20.218 -16.048 17.404 337 2HD LYS 43 2HD LYS 43 19.371 -17.549 17.028 338 1HE LYS 43 1HE LYS 43 21.226 -18.868 17.939 339 2HE LYS 43 2HE LYS 43 22.150 -17.385 18.250 340 1HZ LYS 43 1HZ LYS 43 19.399 -17.694 19.272 341 2HZ LYS 43 2HZ LYS 43 20.710 -18.327 20.141 342 3HZ LYS 43 3HZ LYS 43 20.629 -16.660 19.822 343 H ARG 44 H ARG 44 18.326 -16.381 11.933 344 HA ARG 44 HA ARG 44 16.706 -18.781 12.713 345 1HB ARG 44 1HB ARG 44 16.154 -15.885 12.241 346 2HB ARG 44 2HB ARG 44 14.885 -17.031 11.810 347 1HG ARG 44 1HG ARG 44 14.563 -16.331 14.123 348 2HG ARG 44 2HG ARG 44 15.060 -18.023 14.099 349 1HD ARG 44 1HD ARG 44 17.318 -17.460 14.722 350 2HD ARG 44 2HD ARG 44 17.014 -15.729 14.474 351 HE ARG 44 HE ARG 44 15.875 -15.677 16.552 352 1HH1 ARG 44 1HH1 ARG 44 16.342 -18.901 15.402 353 2HH1 ARG 44 2HH1 ARG 44 15.791 -19.640 16.869 354 1HH2 ARG 44 1HH2 ARG 44 15.154 -16.630 18.465 355 2HH2 ARG 44 2HH2 ARG 44 15.115 -18.356 18.599 356 H MET 45 H MET 45 16.825 -16.443 9.979 357 HA MET 45 HA MET 45 15.605 -17.705 7.931 358 1HB MET 45 1HB MET 45 17.532 -15.753 8.219 359 2HB MET 45 2HB MET 45 18.349 -16.937 7.197 360 1HG MET 45 1HG MET 45 16.865 -16.665 5.455 361 2HG MET 45 2HG MET 45 15.527 -16.261 6.526 362 1HE MET 45 1HE MET 45 16.359 -14.307 8.384 363 2HE MET 45 2HE MET 45 16.302 -12.692 7.683 364 3HE MET 45 3HE MET 45 14.974 -13.826 7.411 365 HA PRO 46 HA PRO 46 17.767 -21.634 7.955 366 1HB PRO 46 1HB PRO 46 15.757 -22.963 6.538 367 2HB PRO 46 2HB PRO 46 15.856 -22.845 8.305 368 1HG PRO 46 1HG PRO 46 14.204 -21.297 6.394 369 2HG PRO 46 2HG PRO 46 13.839 -21.814 8.047 370 1HD PRO 46 1HD PRO 46 14.493 -19.269 7.433 371 2HD PRO 46 2HD PRO 46 14.909 -20.015 8.992 372 H ALA 47 H ALA 47 18.144 -23.252 5.995 373 HA ALA 47 HA ALA 47 19.315 -21.733 3.829 374 1HB ALA 47 1HB ALA 47 18.711 -24.697 3.924 375 2HB ALA 47 2HB ALA 47 20.008 -23.972 4.873 376 3HB ALA 47 3HB ALA 47 20.055 -23.894 3.112 377 H TYR 48 H TYR 48 18.401 -21.196 1.871 378 HA TYR 48 HA TYR 48 15.609 -21.390 1.370 379 1HB TYR 48 1HB TYR 48 16.907 -19.731 0.263 380 2HB TYR 48 2HB TYR 48 18.069 -20.920 -0.326 381 HD1 TYR 48 HD1 TYR 48 17.951 -21.022 -2.655 382 HD2 TYR 48 HD2 TYR 48 14.317 -20.805 -0.375 383 HE1 TYR 48 HE1 TYR 48 16.630 -21.285 -4.737 384 HE2 TYR 48 HE2 TYR 48 12.995 -21.069 -2.457 385 HH TYR 48 HH TYR 48 14.557 -21.753 -5.549 386 H SER 49 H SER 49 14.623 -23.396 1.256 387 HA SER 49 HA SER 49 15.944 -25.536 -0.367 388 1HB SER 49 1HB SER 49 14.464 -25.382 2.127 389 2HB SER 49 2HB SER 49 13.721 -26.544 1.033 390 HG SER 49 HG SER 49 15.907 -27.386 0.747 391 H GLY 50 H GLY 50 14.719 -26.583 -2.016 392 1HA GLY 50 1HA GLY 50 12.489 -24.957 -3.082 393 2HA GLY 50 2HA GLY 50 12.131 -26.645 -2.713 394 HA PRO 51 HA PRO 51 13.630 -27.265 -6.812 395 1HB PRO 51 1HB PRO 51 12.453 -24.904 -8.166 396 2HB PRO 51 2HB PRO 51 12.125 -26.628 -8.423 397 1HG PRO 51 1HG PRO 51 10.377 -25.007 -7.199 398 2HG PRO 51 2HG PRO 51 10.552 -26.717 -6.773 399 1HD PRO 51 1HD PRO 51 11.495 -24.303 -5.319 400 2HD PRO 51 2HD PRO 51 10.930 -25.864 -4.685 401 H GLY 52 H GLY 52 15.854 -26.949 -6.844 402 1HA GLY 52 1HA GLY 52 16.913 -24.651 -8.261 403 2HA GLY 52 2HA GLY 52 17.870 -25.938 -7.524 404 H SER 53 H SER 53 19.305 -24.236 -6.695 405 HA SER 53 HA SER 53 18.488 -22.118 -5.037 406 1HB SER 53 1HB SER 53 17.578 -23.889 -3.637 407 2HB SER 53 2HB SER 53 19.110 -24.752 -3.680 408 HG SER 53 HG SER 53 18.926 -23.553 -1.770 409 H VAL 54 H VAL 54 20.534 -22.082 -3.139 410 HA VAL 54 HA VAL 54 23.059 -22.592 -4.640 411 HB VAL 54 HB VAL 54 23.690 -20.186 -4.079 412 1HG1 VAL 54 1HG1 VAL 54 22.813 -21.055 -6.327 413 2HG1 VAL 54 2HG1 VAL 54 21.251 -20.385 -5.856 414 3HG1 VAL 54 3HG1 VAL 54 22.646 -19.322 -6.042 415 1HG2 VAL 54 1HG2 VAL 54 20.712 -20.075 -3.499 416 2HG2 VAL 54 2HG2 VAL 54 22.014 -19.780 -2.346 417 3HG2 VAL 54 3HG2 VAL 54 21.749 -18.660 -3.681 418 HA PRO 55 HA PRO 55 24.508 -23.217 -0.540 419 1HB PRO 55 1HB PRO 55 27.196 -22.598 -0.810 420 2HB PRO 55 2HB PRO 55 26.455 -24.109 -1.373 421 1HG PRO 55 1HG PRO 55 27.183 -21.672 -2.905 422 2HG PRO 55 2HG PRO 55 27.272 -23.376 -3.378 423 1HD PRO 55 1HD PRO 55 25.323 -21.720 -4.252 424 2HD PRO 55 2HD PRO 55 25.062 -23.459 -3.994 425 H GLY 56 H GLY 56 23.343 -20.623 -0.792 426 1HA GLY 56 1HA GLY 56 25.016 -18.481 0.049 427 2HA GLY 56 2HA GLY 56 24.404 -19.294 1.490 428 H ALA 57 H ALA 57 21.848 -20.036 0.321 429 HA ALA 57 HA ALA 57 20.599 -17.317 0.058 430 1HB ALA 57 1HB ALA 57 18.819 -18.902 -1.151 431 2HB ALA 57 2HB ALA 57 20.229 -18.290 -2.016 432 3HB ALA 57 3HB ALA 57 20.238 -19.929 -1.362 433 H LEU 58 H LEU 58 19.820 -16.988 2.145 434 HA LEU 58 HA LEU 58 18.515 -19.221 3.600 435 1HB LEU 58 1HB LEU 58 19.031 -16.330 4.368 436 2HB LEU 58 2HB LEU 58 18.614 -17.645 5.465 437 HG LEU 58 HG LEU 58 21.099 -17.598 3.730 438 1HD1 LEU 58 1HD1 LEU 58 21.044 -15.836 5.533 439 2HD1 LEU 58 2HD1 LEU 58 20.866 -17.131 6.715 440 3HD1 LEU 58 3HD1 LEU 58 22.328 -17.028 5.735 441 1HD2 LEU 58 1HD2 LEU 58 19.752 -19.669 5.144 442 2HD2 LEU 58 2HD2 LEU 58 21.325 -19.752 4.353 443 3HD2 LEU 58 3HD2 LEU 58 21.216 -19.290 6.051 444 H ASP 59 H ASP 59 16.319 -18.902 4.488 445 HA ASP 59 HA ASP 59 14.650 -17.114 2.750 446 1HB ASP 59 1HB ASP 59 14.481 -19.906 3.714 447 2HB ASP 59 2HB ASP 59 12.964 -19.008 3.780 448 H TYR 60 H TYR 60 14.148 -15.319 3.963 449 HA TYR 60 HA TYR 60 13.980 -15.291 6.855 450 1HB TYR 60 1HB TYR 60 13.070 -12.975 6.337 451 2HB TYR 60 2HB TYR 60 14.623 -13.333 5.578 452 HD1 TYR 60 HD1 TYR 60 14.870 -13.202 3.238 453 HD2 TYR 60 HD2 TYR 60 10.936 -13.415 4.950 454 HE1 TYR 60 HE1 TYR 60 13.875 -12.800 1.002 455 HE2 TYR 60 HE2 TYR 60 9.941 -13.013 2.714 456 HH TYR 60 HH TYR 60 11.754 -13.212 -0.165 457 H ALA 61 H ALA 61 11.687 -15.839 4.248 458 HA ALA 61 HA ALA 61 9.237 -15.218 5.511 459 1HB ALA 61 1HB ALA 61 9.280 -17.702 3.932 460 2HB ALA 61 2HB ALA 61 8.432 -16.189 3.613 461 3HB ALA 61 3HB ALA 61 10.127 -16.363 3.156 462 H ALA 62 H ALA 62 11.286 -18.107 5.804 463 HA ALA 62 HA ALA 62 9.432 -19.653 7.371 464 1HB ALA 62 1HB ALA 62 11.228 -20.774 6.292 465 2HB ALA 62 2HB ALA 62 12.415 -19.629 6.917 466 3HB ALA 62 3HB ALA 62 11.667 -20.803 7.999 467 H PHE 63 H PHE 63 12.094 -17.494 8.196 468 HA PHE 63 HA PHE 63 11.842 -17.788 11.068 469 1HB PHE 63 1HB PHE 63 13.925 -17.101 10.144 470 2HB PHE 63 2HB PHE 63 13.166 -15.845 9.167 471 HD1 PHE 63 HD1 PHE 63 12.136 -16.458 12.644 472 HD2 PHE 63 HD2 PHE 63 14.595 -14.065 10.060 473 HE1 PHE 63 HE1 PHE 63 12.474 -14.825 14.479 474 HE2 PHE 63 HE2 PHE 63 14.933 -12.431 11.895 475 HZ PHE 63 HZ PHE 63 13.873 -12.811 14.105 476 H SER 64 H SER 64 10.530 -15.521 8.668 477 HA SER 64 HA SER 64 9.506 -13.537 10.429 478 1HB SER 64 1HB SER 64 8.639 -14.618 7.739 479 2HB SER 64 2HB SER 64 7.897 -13.199 8.471 480 HG SER 64 HG SER 64 10.072 -12.339 8.611 481 H SER 65 H SER 65 7.854 -16.431 9.093 482 HA SER 65 HA SER 65 5.358 -16.080 10.394 483 1HB SER 65 1HB SER 65 6.472 -17.833 8.649 484 2HB SER 65 2HB SER 65 6.462 -18.826 10.104 485 HG SER 65 HG SER 65 4.241 -18.416 10.289 486 H ALA 66 H ALA 66 8.319 -17.723 11.526 487 HA ALA 66 HA ALA 66 7.329 -18.840 13.928 488 1HB ALA 66 1HB ALA 66 9.647 -18.975 14.515 489 2HB ALA 66 2HB ALA 66 10.045 -17.559 13.541 490 3HB ALA 66 3HB ALA 66 9.595 -19.072 12.755 491 H LEU 67 H LEU 67 8.534 -15.545 13.277 492 HA LEU 67 HA LEU 67 8.569 -14.548 15.929 493 1HB LEU 67 1HB LEU 67 8.094 -13.399 13.184 494 2HB LEU 67 2HB LEU 67 8.040 -12.359 14.605 495 HG LEU 67 HG LEU 67 10.365 -14.220 14.212 496 1HD1 LEU 67 1HD1 LEU 67 9.834 -11.602 12.811 497 2HD1 LEU 67 2HD1 LEU 67 11.481 -12.142 13.141 498 3HD1 LEU 67 3HD1 LEU 67 10.420 -13.116 12.123 499 1HD2 LEU 67 1HD2 LEU 67 9.829 -11.604 15.629 500 2HD2 LEU 67 2HD2 LEU 67 10.331 -13.141 16.332 501 3HD2 LEU 67 3HD2 LEU 67 11.468 -12.200 15.367 502 H TYR 68 H TYR 68 5.888 -14.735 13.582 503 HA TYR 68 HA TYR 68 3.987 -13.495 15.448 504 1HB TYR 68 1HB TYR 68 3.274 -14.986 12.931 505 2HB TYR 68 2HB TYR 68 2.565 -13.512 13.583 506 HD1 TYR 68 HD1 TYR 68 4.676 -11.678 14.036 507 HD2 TYR 68 HD2 TYR 68 4.331 -14.588 10.897 508 HE1 TYR 68 HE1 TYR 68 6.200 -10.329 12.620 509 HE2 TYR 68 HE2 TYR 68 5.854 -13.239 9.478 510 HH TYR 68 HH TYR 68 7.874 -11.119 10.452 511 H GLY 69 H GLY 69 5.414 -16.382 15.611 512 1HA GLY 69 1HA GLY 69 2.997 -18.047 15.963 513 2HA GLY 69 2HA GLY 69 3.937 -17.713 17.417 514 H GLU 70 H GLU 70 3.730 -19.618 14.554 515 HA GLU 70 HA GLU 70 6.508 -20.517 14.525 516 1HB GLU 70 1HB GLU 70 5.574 -21.424 16.670 517 2HB GLU 70 2HB GLU 70 4.375 -22.309 15.728 518 1HG GLU 70 1HG GLU 70 6.051 -23.637 14.661 519 2HG GLU 70 2HG GLU 70 7.347 -22.597 15.252 520 H SER 71 H SER 71 3.195 -21.794 13.966 521 HA SER 71 HA SER 71 3.672 -21.923 11.069 522 1HB SER 71 1HB SER 71 3.887 -24.256 12.924 523 2HB SER 71 2HB SER 71 3.112 -24.528 11.367 524 HG SER 71 HG SER 71 5.007 -23.506 10.436 525 H ASP 72 H ASP 72 1.693 -22.613 9.922 526 HA ASP 72 HA ASP 72 -0.740 -21.782 11.325 527 1HB ASP 72 1HB ASP 72 0.273 -21.954 8.682 528 2HB ASP 72 2HB ASP 72 -1.159 -22.983 8.733 529 H LEU 73 H LEU 73 -2.263 -23.146 12.208 530 HA LEU 73 HA LEU 73 -3.196 -25.175 12.994 531 1HB LEU 73 1HB LEU 73 -3.157 -24.992 10.180 532 2HB LEU 73 2HB LEU 73 -2.690 -26.652 10.552 533 HG LEU 73 HG LEU 73 -5.162 -26.380 10.344 534 1HD1 LEU 73 1HD1 LEU 73 -3.990 -28.047 11.910 535 2HD1 LEU 73 2HD1 LEU 73 -4.417 -26.945 13.219 536 3HD1 LEU 73 3HD1 LEU 73 -5.685 -27.701 12.253 537 1HD2 LEU 73 1HD2 LEU 73 -4.609 -24.087 11.968 538 2HD2 LEU 73 2HD2 LEU 73 -6.152 -24.583 11.274 539 3HD2 LEU 73 3HD2 LEU 73 -5.679 -25.156 12.873 540 H GLY 7 H GLY 7 14.744 2.831 -4.849 541 1HA GLY 7 1HA GLY 7 12.029 2.216 -4.888 542 2HA GLY 7 2HA GLY 7 12.633 3.869 -4.750 543 H LYS 8 H LYS 8 12.789 1.103 -2.486 544 HA LYS 8 HA LYS 8 11.973 2.872 -0.274 545 1HB LYS 8 1HB LYS 8 9.956 1.512 0.206 546 2HB LYS 8 2HB LYS 8 9.855 2.263 -1.385 547 1HG LYS 8 1HG LYS 8 11.151 -0.139 -1.896 548 2HG LYS 8 2HG LYS 8 9.952 -0.573 -0.676 549 1HD LYS 8 1HD LYS 8 9.333 0.996 -3.195 550 2HD LYS 8 2HD LYS 8 9.074 -0.739 -3.016 551 1HE LYS 8 1HE LYS 8 7.256 -0.459 -1.624 552 2HE LYS 8 2HE LYS 8 7.911 1.024 -0.903 553 1HZ LYS 8 1HZ LYS 8 7.588 2.106 -3.096 554 2HZ LYS 8 2HZ LYS 8 6.770 0.714 -3.628 555 3HZ LYS 8 3HZ LYS 8 6.134 1.642 -2.355 556 H LYS 9 H LYS 9 14.317 1.222 -0.866 557 HA LYS 9 HA LYS 9 14.251 -1.291 0.521 558 1HB LYS 9 1HB LYS 9 16.008 0.183 -1.025 559 2HB LYS 9 2HB LYS 9 16.774 0.223 0.564 560 1HG LYS 9 1HG LYS 9 16.186 -2.360 0.554 561 2HG LYS 9 2HG LYS 9 16.179 -2.128 -1.194 562 1HD LYS 9 1HD LYS 9 18.463 -0.767 -0.271 563 2HD LYS 9 2HD LYS 9 18.440 -2.296 0.609 564 1HE LYS 9 1HE LYS 9 19.175 -3.360 -1.248 565 2HE LYS 9 2HE LYS 9 17.730 -2.820 -2.125 566 1HZ LYS 9 1HZ LYS 9 20.167 -1.182 -1.660 567 2HZ LYS 9 2HZ LYS 9 19.763 -1.935 -3.128 568 3HZ LYS 9 3HZ LYS 9 18.786 -0.689 -2.511 569 H ALA 10 H ALA 10 15.232 1.988 1.575 570 HA ALA 10 HA ALA 10 16.040 1.359 4.217 571 1HB ALA 10 1HB ALA 10 14.886 3.850 4.387 572 2HB ALA 10 2HB ALA 10 16.502 3.545 3.750 573 3HB ALA 10 3HB ALA 10 15.131 3.689 2.648 574 H GLU 11 H GLU 11 12.799 2.091 2.918 575 HA GLU 11 HA GLU 11 11.381 2.118 5.397 576 1HB GLU 11 1HB GLU 11 10.792 1.692 2.493 577 2HB GLU 11 2HB GLU 11 9.523 1.307 3.657 578 1HG GLU 11 1HG GLU 11 9.130 3.489 4.113 579 2HG GLU 11 2HG GLU 11 10.852 3.860 4.216 580 H ALA 12 H ALA 12 12.164 -0.541 3.153 581 HA ALA 12 HA ALA 12 10.693 -2.594 4.519 582 1HB ALA 12 1HB ALA 12 13.229 -2.774 2.860 583 2HB ALA 12 2HB ALA 12 11.607 -2.636 2.182 584 3HB ALA 12 3HB ALA 12 12.054 -4.064 3.116 585 H VAL 13 H VAL 13 14.092 -1.515 4.762 586 HA VAL 13 HA VAL 13 15.017 -3.466 6.605 587 HB VAL 13 HB VAL 13 15.718 -0.539 6.205 588 1HG1 VAL 13 1HG1 VAL 13 16.713 -2.552 8.082 589 2HG1 VAL 13 2HG1 VAL 13 17.988 -1.890 7.059 590 3HG1 VAL 13 3HG1 VAL 13 17.002 -0.813 8.047 591 1HG2 VAL 13 1HG2 VAL 13 15.889 -2.430 4.341 592 2HG2 VAL 13 2HG2 VAL 13 17.178 -1.243 4.542 593 3HG2 VAL 13 3HG2 VAL 13 17.349 -2.857 5.233 594 H ALA 14 H ALA 14 13.494 -0.285 7.196 595 HA ALA 14 HA ALA 14 13.648 -0.314 10.044 596 1HB ALA 14 1HB ALA 14 13.040 1.557 8.399 597 2HB ALA 14 2HB ALA 14 11.423 0.856 8.358 598 3HB ALA 14 3HB ALA 14 12.074 1.484 9.872 599 H THR 15 H THR 15 11.183 -1.599 7.812 600 HA THR 15 HA THR 15 9.265 -2.366 9.799 601 HB THR 15 HB THR 15 9.946 -3.343 7.013 602 HG1 THR 15 HG1 THR 15 9.131 -1.188 7.353 603 1HG2 THR 15 1HG2 THR 15 7.638 -4.074 8.828 604 2HG2 THR 15 2HG2 THR 15 7.612 -4.323 7.082 605 3HG2 THR 15 3HG2 THR 15 8.799 -5.167 8.076 606 H VAL 16 H VAL 16 11.929 -4.177 8.245 607 HA VAL 16 HA VAL 16 11.455 -6.670 9.585 608 HB VAL 16 HB VAL 16 14.000 -5.423 8.494 609 1HG1 VAL 16 1HG1 VAL 16 13.207 -8.294 9.064 610 2HG1 VAL 16 2HG1 VAL 16 14.632 -7.830 8.134 611 3HG1 VAL 16 3HG1 VAL 16 14.505 -7.382 9.835 612 1HG2 VAL 16 1HG2 VAL 16 12.073 -5.486 6.896 613 2HG2 VAL 16 2HG2 VAL 16 13.407 -6.527 6.402 614 3HG2 VAL 16 3HG2 VAL 16 11.969 -7.229 7.143 615 H VAL 17 H VAL 17 13.553 -3.891 10.369 616 HA VAL 17 HA VAL 17 14.834 -4.988 12.664 617 HB VAL 17 HB VAL 17 14.032 -2.164 11.894 618 1HG1 VAL 17 1HG1 VAL 17 15.323 -3.233 14.295 619 2HG1 VAL 17 2HG1 VAL 17 16.319 -2.036 13.466 620 3HG1 VAL 17 3HG1 VAL 17 14.687 -1.617 13.989 621 1HG2 VAL 17 1HG2 VAL 17 16.013 -4.023 10.940 622 2HG2 VAL 17 2HG2 VAL 17 15.687 -2.382 10.383 623 3HG2 VAL 17 3HG2 VAL 17 16.823 -2.656 11.704 624 H ALA 18 H ALA 18 11.817 -3.082 12.387 625 HA ALA 18 HA ALA 18 11.219 -2.940 15.174 626 1HB ALA 18 1HB ALA 18 10.202 -1.942 12.876 627 2HB ALA 18 2HB ALA 18 9.021 -3.213 13.185 628 3HB ALA 18 3HB ALA 18 9.293 -1.952 14.387 629 H ALA 19 H ALA 19 10.187 -5.312 12.695 630 HA ALA 19 HA ALA 19 8.612 -6.935 14.461 631 1HB ALA 19 1HB ALA 19 8.387 -7.030 12.053 632 2HB ALA 19 2HB ALA 19 10.085 -7.467 11.864 633 3HB ALA 19 3HB ALA 19 8.957 -8.610 12.591 634 H VAL 20 H VAL 20 12.028 -7.138 13.436 635 HA VAL 20 HA VAL 20 12.633 -9.587 14.811 636 HB VAL 20 HB VAL 20 14.271 -7.203 13.902 637 1HG1 VAL 20 1HG1 VAL 20 15.131 -9.876 15.035 638 2HG1 VAL 20 2HG1 VAL 20 16.199 -8.856 14.072 639 3HG1 VAL 20 3HG1 VAL 20 15.572 -8.269 15.613 640 1HG2 VAL 20 1HG2 VAL 20 13.017 -9.373 12.558 641 2HG2 VAL 20 2HG2 VAL 20 14.111 -8.172 11.873 642 3HG2 VAL 20 3HG2 VAL 20 14.753 -9.681 12.524 643 H ASP 21 H ASP 21 13.066 -6.161 15.757 644 HA ASP 21 HA ASP 21 14.240 -6.658 18.317 645 1HB ASP 21 1HB ASP 21 13.732 -4.511 16.742 646 2HB ASP 21 2HB ASP 21 12.445 -4.318 17.933 647 H GLN 22 H GLN 22 10.872 -6.541 17.233 648 HA GLN 22 HA GLN 22 9.544 -6.345 19.727 649 1HB GLN 22 1HB GLN 22 8.910 -6.689 17.061 650 2HB GLN 22 2HB GLN 22 8.384 -8.216 17.772 651 1HG GLN 22 1HG GLN 22 6.574 -6.526 17.824 652 2HG GLN 22 2HG GLN 22 7.065 -6.996 19.452 653 2HE2 GLN 22 2HE2 GLN 22 7.172 -5.186 20.781 654 1HE2 GLN 22 1HE2 GLN 22 7.727 -3.655 20.305 655 H ALA 23 H ALA 23 10.825 -9.217 18.038 656 HA ALA 23 HA ALA 23 9.850 -11.204 19.833 657 1HB ALA 23 1HB ALA 23 11.347 -12.605 18.661 658 2HB ALA 23 2HB ALA 23 11.035 -11.308 17.508 659 3HB ALA 23 3HB ALA 23 12.527 -11.313 18.448 660 H ARG 24 H ARG 24 12.812 -9.232 19.901 661 HA ARG 24 HA ARG 24 14.096 -10.514 22.109 662 1HB ARG 24 1HB ARG 24 14.564 -8.448 20.328 663 2HB ARG 24 2HB ARG 24 14.429 -7.603 21.871 664 1HG ARG 24 1HG ARG 24 16.085 -9.182 22.849 665 2HG ARG 24 2HG ARG 24 16.263 -9.941 21.266 666 1HD ARG 24 1HD ARG 24 17.498 -8.192 20.424 667 2HD ARG 24 2HD ARG 24 16.584 -6.978 21.343 668 HE ARG 24 HE ARG 24 18.988 -8.297 22.260 669 1HH1 ARG 24 1HH1 ARG 24 15.882 -7.123 23.210 670 2HH1 ARG 24 2HH1 ARG 24 16.348 -6.843 24.855 671 1HH2 ARG 24 1HH2 ARG 24 19.607 -7.934 24.403 672 2HH2 ARG 24 2HH2 ARG 24 18.452 -7.302 25.529 673 H VAL 25 H VAL 25 11.596 -8.014 21.946 674 HA VAL 25 HA VAL 25 11.692 -7.237 24.716 675 HB VAL 25 HB VAL 25 10.139 -6.764 22.291 676 1HG1 VAL 25 1HG1 VAL 25 8.658 -6.927 24.928 677 2HG1 VAL 25 2HG1 VAL 25 8.099 -5.930 23.585 678 3HG1 VAL 25 3HG1 VAL 25 8.222 -7.678 23.392 679 1HG2 VAL 25 1HG2 VAL 25 10.721 -5.188 24.813 680 2HG2 VAL 25 2HG2 VAL 25 11.576 -5.083 23.273 681 3HG2 VAL 25 3HG2 VAL 25 9.910 -4.515 23.398 682 H ARG 26 H ARG 26 10.373 -9.988 23.083 683 HA ARG 26 HA ARG 26 8.453 -10.671 25.202 684 1HB ARG 26 1HB ARG 26 8.415 -11.129 22.633 685 2HB ARG 26 2HB ARG 26 9.464 -12.491 23.025 686 1HG ARG 26 1HG ARG 26 7.814 -13.598 24.220 687 2HG ARG 26 2HG ARG 26 6.969 -12.107 24.634 688 1HD ARG 26 1HD ARG 26 7.108 -13.139 21.788 689 2HD ARG 26 2HD ARG 26 5.790 -13.565 22.898 690 HE ARG 26 HE ARG 26 6.302 -10.707 22.876 691 1HH1 ARG 26 1HH1 ARG 26 4.772 -13.342 21.247 692 2HH1 ARG 26 2HH1 ARG 26 3.560 -12.348 20.511 693 1HH2 ARG 26 1HH2 ARG 26 4.728 -9.407 21.923 694 2HH2 ARG 26 2HH2 ARG 26 3.533 -10.124 20.895 695 H GLU 27 H GLU 27 11.445 -10.464 25.821 696 HA GLU 27 HA GLU 27 11.930 -13.291 26.682 697 1HB GLU 27 1HB GLU 27 14.251 -12.711 26.612 698 2HB GLU 27 2HB GLU 27 13.540 -11.987 25.169 699 1HG GLU 27 1HG GLU 27 13.280 -9.842 26.446 700 2HG GLU 27 2HG GLU 27 14.160 -10.583 27.783 701 HA PRO 28 HA PRO 28 10.871 -12.204 30.828 702 1HB PRO 28 1HB PRO 28 13.251 -13.826 31.574 703 2HB PRO 28 2HB PRO 28 11.566 -13.985 32.109 704 1HG PRO 28 1HG PRO 28 12.665 -15.702 30.384 705 2HG PRO 28 2HG PRO 28 10.962 -15.232 30.291 706 1HD PRO 28 1HD PRO 28 13.242 -14.408 28.577 707 2HD PRO 28 2HD PRO 28 11.529 -14.633 28.159 708 H ARG 29 H ARG 29 11.481 -10.012 30.937 709 HA ARG 29 HA ARG 29 14.388 -9.407 31.307 710 1HB ARG 29 1HB ARG 29 13.221 -8.285 29.464 711 2HB ARG 29 2HB ARG 29 11.985 -7.700 30.578 712 1HG ARG 29 1HG ARG 29 13.549 -6.289 31.717 713 2HG ARG 29 2HG ARG 29 14.921 -7.042 30.901 714 1HD ARG 29 1HD ARG 29 12.946 -5.979 29.009 715 2HD ARG 29 2HD ARG 29 13.651 -4.727 30.052 716 HE ARG 29 HE ARG 29 15.715 -6.513 29.169 717 1HH1 ARG 29 1HH1 ARG 29 13.594 -4.009 28.094 718 2HH1 ARG 29 2HH1 ARG 29 14.673 -3.446 26.863 719 1HH2 ARG 29 1HH2 ARG 29 17.132 -5.787 27.569 720 2HH2 ARG 29 2HH2 ARG 29 16.674 -4.451 26.565 No H/Q in entry = 720 Start of MODEL 19 1 H MET 1 H MET 1 1.159 -21.737 12.180 2 HA MET 1 HA MET 1 3.979 -20.829 12.364 3 1HB MET 1 1HB MET 1 2.390 -22.930 11.025 4 2HB MET 1 2HB MET 1 3.704 -22.273 10.047 5 1HG MET 1 1HG MET 1 5.155 -23.537 11.210 6 2HG MET 1 2HG MET 1 4.742 -22.624 12.661 7 1HE MET 1 1HE MET 1 5.863 -25.195 12.325 8 2HE MET 1 2HE MET 1 5.093 -26.205 13.545 9 3HE MET 1 3HE MET 1 4.857 -26.552 11.826 10 H ALA 2 H ALA 2 1.939 -21.136 9.464 11 HA ALA 2 HA ALA 2 2.964 -18.513 8.519 12 1HB ALA 2 1HB ALA 2 1.449 -19.563 6.507 13 2HB ALA 2 2HB ALA 2 1.879 -21.028 7.389 14 3HB ALA 2 3HB ALA 2 3.146 -19.972 6.763 15 H ASP 3 H ASP 3 1.660 -17.029 9.729 16 HA ASP 3 HA ASP 3 -1.292 -17.292 9.572 17 1HB ASP 3 1HB ASP 3 0.562 -16.375 11.446 18 2HB ASP 3 2HB ASP 3 -0.172 -14.897 10.820 19 H THR 4 H THR 4 -2.173 -14.745 9.409 20 HA THR 4 HA THR 4 -1.124 -13.769 6.772 21 HB THR 4 HB THR 4 -3.654 -12.869 6.835 22 HG1 THR 4 HG1 THR 4 -4.028 -15.316 8.100 23 1HG2 THR 4 1HG2 THR 4 -2.342 -15.320 5.889 24 2HG2 THR 4 2HG2 THR 4 -4.091 -15.476 6.058 25 3HG2 THR 4 3HG2 THR 4 -3.414 -14.213 5.029 26 H ASP 5 H ASP 5 -1.304 -11.411 6.451 27 HA ASP 5 HA ASP 5 -1.060 -9.167 7.157 28 1HB ASP 5 1HB ASP 5 -3.155 -10.398 8.611 29 2HB ASP 5 2HB ASP 5 -2.228 -9.464 9.785 30 H THR 6 H THR 6 0.324 -7.902 8.558 31 HA THR 6 HA THR 6 2.121 -7.553 10.058 32 HB THR 6 HB THR 6 1.467 -10.244 11.242 33 HG1 THR 6 HG1 THR 6 -0.432 -9.579 11.845 34 1HG2 THR 6 1HG2 THR 6 3.289 -8.603 12.071 35 2HG2 THR 6 2HG2 THR 6 1.942 -7.617 12.641 36 3HG2 THR 6 3HG2 THR 6 2.165 -9.252 13.265 37 H ALA 7 H ALA 7 1.971 -11.086 9.427 38 HA ALA 7 HA ALA 7 4.831 -11.383 9.208 39 1HB ALA 7 1HB ALA 7 2.669 -13.017 9.505 40 2HB ALA 7 2HB ALA 7 4.257 -13.600 9.005 41 3HB ALA 7 3HB ALA 7 3.019 -13.267 7.794 42 H GLU 8 H GLU 8 2.218 -10.885 6.864 43 HA GLU 8 HA GLU 8 3.699 -11.251 4.459 44 1HB GLU 8 1HB GLU 8 1.176 -10.951 4.904 45 2HB GLU 8 2HB GLU 8 1.505 -9.218 4.917 46 1HG GLU 8 1HG GLU 8 0.833 -9.869 2.670 47 2HG GLU 8 2HG GLU 8 2.546 -9.447 2.653 48 H GLN 9 H GLN 9 3.341 -8.456 6.616 49 HA GLN 9 HA GLN 9 4.551 -6.472 4.961 50 1HB GLN 9 1HB GLN 9 3.419 -6.669 7.470 51 2HB GLN 9 2HB GLN 9 5.111 -6.342 7.851 52 1HG GLN 9 1HG GLN 9 4.058 -4.203 7.633 53 2HG GLN 9 2HG GLN 9 4.991 -4.441 6.154 54 2HE2 GLN 9 2HE2 GLN 9 1.961 -3.493 7.240 55 1HE2 GLN 9 1HE2 GLN 9 1.061 -3.823 5.839 56 H VAL 10 H VAL 10 6.010 -8.674 7.386 57 HA VAL 10 HA VAL 10 8.699 -7.738 7.122 58 HB VAL 10 HB VAL 10 7.702 -10.543 7.718 59 1HG1 VAL 10 1HG1 VAL 10 10.239 -9.013 8.228 60 2HG1 VAL 10 2HG1 VAL 10 9.749 -10.290 9.342 61 3HG1 VAL 10 3HG1 VAL 10 10.036 -10.664 7.643 62 1HG2 VAL 10 1HG2 VAL 10 7.494 -7.985 9.207 63 2HG2 VAL 10 2HG2 VAL 10 6.500 -9.437 9.323 64 3HG2 VAL 10 3HG2 VAL 10 8.059 -9.368 10.144 65 H ILE 11 H ILE 11 6.930 -10.337 5.428 66 HA ILE 11 HA ILE 11 9.047 -11.341 3.832 67 HB ILE 11 HB ILE 11 6.063 -11.029 3.383 68 1HG1 ILE 11 1HG1 ILE 11 7.818 -13.341 4.272 69 2HG1 ILE 11 2HG1 ILE 11 6.682 -12.444 5.280 70 1HG2 ILE 11 1HG2 ILE 11 7.540 -11.327 1.273 71 2HG2 ILE 11 2HG2 ILE 11 7.853 -12.948 1.894 72 3HG2 ILE 11 3HG2 ILE 11 6.204 -12.456 1.506 73 1HD1 ILE 11 1HD1 ILE 11 4.820 -13.181 3.822 74 2HD1 ILE 11 2HD1 ILE 11 5.960 -14.107 2.848 75 3HD1 ILE 11 3HD1 ILE 11 5.670 -14.554 4.529 76 H ALA 12 H ALA 12 6.668 -8.763 3.092 77 HA ALA 12 HA ALA 12 7.714 -8.032 0.540 78 1HB ALA 12 1HB ALA 12 6.465 -6.198 2.607 79 2HB ALA 12 2HB ALA 12 5.525 -7.384 1.702 80 3HB ALA 12 3HB ALA 12 6.348 -6.076 0.851 81 H SER 13 H SER 13 8.478 -6.896 3.831 82 HA SER 13 HA SER 13 10.391 -4.891 3.064 83 1HB SER 13 1HB SER 13 10.370 -6.563 5.589 84 2HB SER 13 2HB SER 13 10.901 -4.894 5.408 85 HG SER 13 HG SER 13 8.345 -5.965 5.611 86 H PHE 14 H PHE 14 10.673 -8.349 3.894 87 HA PHE 14 HA PHE 14 13.555 -8.474 3.694 88 1HB PHE 14 1HB PHE 14 11.215 -10.315 3.838 89 2HB PHE 14 2HB PHE 14 12.715 -10.999 3.211 90 HD1 PHE 14 HD1 PHE 14 10.974 -10.993 6.065 91 HD2 PHE 14 HD2 PHE 14 14.811 -9.654 4.675 92 HE1 PHE 14 HE1 PHE 14 11.865 -11.155 8.374 93 HE2 PHE 14 HE2 PHE 14 15.704 -9.816 6.984 94 HZ PHE 14 HZ PHE 14 14.231 -10.566 8.833 95 H ARG 15 H ARG 15 10.894 -9.097 1.408 96 HA ARG 15 HA ARG 15 12.345 -10.106 -0.786 97 1HB ARG 15 1HB ARG 15 9.794 -9.589 -0.299 98 2HB ARG 15 2HB ARG 15 10.156 -8.076 -1.131 99 1HG ARG 15 1HG ARG 15 11.244 -10.412 -2.520 100 2HG ARG 15 2HG ARG 15 9.488 -10.470 -2.362 101 1HD ARG 15 1HD ARG 15 10.898 -7.966 -3.312 102 2HD ARG 15 2HD ARG 15 10.395 -9.243 -4.437 103 HE ARG 15 HE ARG 15 8.607 -7.416 -3.058 104 1HH1 ARG 15 1HH1 ARG 15 9.023 -10.626 -4.265 105 2HH1 ARG 15 2HH1 ARG 15 7.328 -10.899 -4.490 106 1HH2 ARG 15 1HH2 ARG 15 6.397 -7.760 -3.350 107 2HH2 ARG 15 2HH2 ARG 15 5.842 -9.278 -3.973 108 H ILE 16 H ILE 16 11.752 -6.707 0.150 109 HA ILE 16 HA ILE 16 13.054 -5.459 -2.056 110 HB ILE 16 HB ILE 16 12.659 -4.699 0.853 111 1HG1 ILE 16 1HG1 ILE 16 11.241 -3.879 -1.705 112 2HG1 ILE 16 2HG1 ILE 16 10.614 -5.012 -0.508 113 1HG2 ILE 16 1HG2 ILE 16 14.077 -3.319 -1.354 114 2HG2 ILE 16 2HG2 ILE 16 12.920 -2.332 -0.463 115 3HG2 ILE 16 3HG2 ILE 16 14.246 -3.121 0.390 116 1HD1 ILE 16 1HD1 ILE 16 11.482 -2.324 0.457 117 2HD1 ILE 16 2HD1 ILE 16 9.969 -2.420 -0.444 118 3HD1 ILE 16 3HD1 ILE 16 10.174 -3.356 1.036 119 H LEU 17 H LEU 17 14.329 -6.482 1.124 120 HA LEU 17 HA LEU 17 17.027 -5.597 0.693 121 1HB LEU 17 1HB LEU 17 15.950 -7.885 2.376 122 2HB LEU 17 2HB LEU 17 17.473 -7.032 2.629 123 HG LEU 17 HG LEU 17 14.683 -5.875 2.857 124 1HD1 LEU 17 1HD1 LEU 17 15.576 -7.240 4.774 125 2HD1 LEU 17 2HD1 LEU 17 16.914 -6.098 4.897 126 3HD1 LEU 17 3HD1 LEU 17 15.262 -5.555 5.187 127 1HD2 LEU 17 1HD2 LEU 17 17.328 -4.627 2.427 128 2HD2 LEU 17 2HD2 LEU 17 15.716 -3.972 2.141 129 3HD2 LEU 17 3HD2 LEU 17 16.402 -3.949 3.766 130 H ALA 18 H ALA 18 15.373 -8.691 0.078 131 HA ALA 18 HA ALA 18 17.745 -10.093 -0.824 132 1HB ALA 18 1HB ALA 18 15.347 -11.175 -1.927 133 2HB ALA 18 2HB ALA 18 14.951 -10.544 -0.329 134 3HB ALA 18 3HB ALA 18 16.233 -11.742 -0.511 135 H SER 19 H SER 19 15.993 -7.576 -2.206 136 HA SER 19 HA SER 19 16.137 -6.610 -4.364 137 1HB SER 19 1HB SER 19 18.480 -7.898 -3.959 138 2HB SER 19 2HB SER 19 17.875 -8.830 -5.325 139 HG SER 19 HG SER 19 19.124 -6.913 -5.867 140 H ASP 20 H ASP 20 13.891 -8.085 -3.943 141 HA ASP 20 HA ASP 20 12.171 -9.188 -5.136 142 1HB ASP 20 1HB ASP 20 13.501 -7.662 -6.889 143 2HB ASP 20 2HB ASP 20 13.914 -9.239 -7.565 144 H LYS 21 H LYS 21 14.220 -10.755 -3.738 145 HA LYS 21 HA LYS 21 14.307 -13.196 -5.481 146 1HB LYS 21 1HB LYS 21 16.126 -12.217 -3.258 147 2HB LYS 21 2HB LYS 21 16.309 -13.764 -4.085 148 1HG LYS 21 1HG LYS 21 16.100 -11.323 -5.786 149 2HG LYS 21 2HG LYS 21 17.608 -11.571 -4.904 150 1HD LYS 21 1HD LYS 21 18.208 -13.355 -6.180 151 2HD LYS 21 2HD LYS 21 16.561 -13.983 -6.243 152 1HE LYS 21 1HE LYS 21 16.111 -12.925 -8.215 153 2HE LYS 21 2HE LYS 21 16.957 -11.446 -7.715 154 1HZ LYS 21 1HZ LYS 21 19.068 -12.644 -7.977 155 2HZ LYS 21 2HZ LYS 21 18.225 -13.995 -8.570 156 3HZ LYS 21 3HZ LYS 21 18.213 -12.540 -9.443 157 HA PRO 22 HA PRO 22 11.701 -15.013 -2.453 158 1HB PRO 22 1HB PRO 22 12.920 -17.605 -3.241 159 2HB PRO 22 2HB PRO 22 11.220 -17.098 -3.294 160 1HG PRO 22 1HG PRO 22 12.709 -17.341 -5.508 161 2HG PRO 22 2HG PRO 22 11.429 -16.127 -5.347 162 1HD PRO 22 1HD PRO 22 14.376 -15.785 -5.255 163 2HD PRO 22 2HD PRO 22 13.118 -14.669 -5.828 164 H TYR 23 H TYR 23 15.073 -15.017 -2.398 165 HA TYR 23 HA TYR 23 15.068 -15.955 0.441 166 1HB TYR 23 1HB TYR 23 17.201 -17.193 -0.135 167 2HB TYR 23 2HB TYR 23 15.755 -17.850 -0.902 168 HD1 TYR 23 HD1 TYR 23 15.216 -17.166 -3.292 169 HD2 TYR 23 HD2 TYR 23 19.002 -16.358 -1.433 170 HE1 TYR 23 HE1 TYR 23 16.233 -16.807 -5.525 171 HE2 TYR 23 HE2 TYR 23 20.021 -15.999 -3.666 172 HH TYR 23 HH TYR 23 18.348 -16.791 -6.598 173 H ILE 24 H ILE 24 17.112 -15.222 1.572 174 HA ILE 24 HA ILE 24 18.238 -12.753 0.297 175 HB ILE 24 HB ILE 24 16.463 -12.848 2.361 176 1HG1 ILE 24 1HG1 ILE 24 17.236 -10.847 1.126 177 2HG1 ILE 24 2HG1 ILE 24 17.184 -10.556 2.865 178 1HG2 ILE 24 1HG2 ILE 24 18.184 -14.049 3.775 179 2HG2 ILE 24 2HG2 ILE 24 19.167 -12.586 3.703 180 3HG2 ILE 24 3HG2 ILE 24 17.580 -12.546 4.474 181 1HD1 ILE 24 1HD1 ILE 24 19.719 -11.481 2.628 182 2HD1 ILE 24 2HD1 ILE 24 19.522 -10.729 1.044 183 3HD1 ILE 24 3HD1 ILE 24 19.304 -9.770 2.508 184 H LEU 25 H LEU 25 20.464 -12.337 0.776 185 HA LEU 25 HA LEU 25 22.008 -14.747 1.526 186 1HB LEU 25 1HB LEU 25 22.713 -12.002 0.440 187 2HB LEU 25 2HB LEU 25 23.893 -13.284 0.712 188 HG LEU 25 HG LEU 25 23.286 -13.443 -1.592 189 1HD1 LEU 25 1HD1 LEU 25 23.274 -15.584 -0.232 190 2HD1 LEU 25 2HD1 LEU 25 21.516 -15.453 -0.179 191 3HD1 LEU 25 3HD1 LEU 25 22.340 -15.650 -1.726 192 1HD2 LEU 25 1HD2 LEU 25 21.081 -12.092 -1.051 193 2HD2 LEU 25 2HD2 LEU 25 21.132 -13.172 -2.444 194 3HD2 LEU 25 3HD2 LEU 25 20.365 -13.700 -0.947 195 H ALA 26 H ALA 26 23.651 -14.658 3.196 196 HA ALA 26 HA ALA 26 22.870 -13.254 5.594 197 1HB ALA 26 1HB ALA 26 25.228 -14.902 4.681 198 2HB ALA 26 2HB ALA 26 23.960 -15.342 5.826 199 3HB ALA 26 3HB ALA 26 25.201 -14.178 6.288 200 H GLU 27 H GLU 27 25.392 -12.712 3.144 201 HA GLU 27 HA GLU 27 26.762 -10.586 4.498 202 1HB GLU 27 1HB GLU 27 26.411 -11.475 1.629 203 2HB GLU 27 2HB GLU 27 27.450 -10.119 2.058 204 1HG GLU 27 1HG GLU 27 29.078 -11.640 2.422 205 2HG GLU 27 2HG GLU 27 28.180 -12.103 3.868 206 H GLU 28 H GLU 28 23.950 -10.666 2.333 207 HA GLU 28 HA GLU 28 23.721 -7.860 1.841 208 1HB GLU 28 1HB GLU 28 22.144 -10.327 1.602 209 2HB GLU 28 2HB GLU 28 21.150 -8.894 1.864 210 1HG GLU 28 1HG GLU 28 22.966 -7.978 0.018 211 2HG GLU 28 2HG GLU 28 22.758 -9.657 -0.485 212 H LEU 29 H LEU 29 22.319 -9.927 4.399 213 HA LEU 29 HA LEU 29 20.801 -7.893 5.717 214 1HB LEU 29 1HB LEU 29 21.945 -10.585 6.320 215 2HB LEU 29 2HB LEU 29 21.404 -9.619 7.693 216 HG LEU 29 HG LEU 29 19.640 -11.142 6.678 217 1HD1 LEU 29 1HD1 LEU 29 19.398 -8.195 7.103 218 2HD1 LEU 29 2HD1 LEU 29 18.008 -9.037 6.418 219 3HD1 LEU 29 3HD1 LEU 29 18.647 -9.523 7.989 220 1HD2 LEU 29 1HD2 LEU 29 20.380 -10.671 4.308 221 2HD2 LEU 29 2HD2 LEU 29 18.646 -10.491 4.572 222 3HD2 LEU 29 3HD2 LEU 29 19.676 -9.063 4.472 223 H ARG 30 H ARG 30 24.201 -8.870 5.966 224 HA ARG 30 HA ARG 30 24.830 -7.325 8.320 225 1HB ARG 30 1HB ARG 30 26.085 -9.057 6.405 226 2HB ARG 30 2HB ARG 30 27.082 -7.614 6.591 227 1HG ARG 30 1HG ARG 30 25.997 -8.811 9.090 228 2HG ARG 30 2HG ARG 30 27.264 -9.719 8.263 229 1HD ARG 30 1HD ARG 30 28.319 -7.205 8.152 230 2HD ARG 30 2HD ARG 30 27.441 -7.131 9.693 231 HE ARG 30 HE ARG 30 29.786 -8.755 9.179 232 1HH1 ARG 30 1HH1 ARG 30 26.746 -8.605 10.814 233 2HH1 ARG 30 2HH1 ARG 30 27.225 -9.693 12.073 234 1HH2 ARG 30 1HH2 ARG 30 30.420 -10.173 10.817 235 2HH2 ARG 30 2HH2 ARG 30 29.301 -10.580 12.076 236 H ARG 31 H ARG 31 24.976 -6.635 4.829 237 HA ARG 31 HA ARG 31 26.002 -3.904 5.337 238 1HB ARG 31 1HB ARG 31 26.219 -5.834 3.325 239 2HB ARG 31 2HB ARG 31 25.196 -4.584 2.616 240 1HG ARG 31 1HG ARG 31 27.104 -3.452 2.190 241 2HG ARG 31 2HG ARG 31 27.177 -3.137 3.924 242 1HD ARG 31 1HD ARG 31 28.213 -5.682 3.792 243 2HD ARG 31 2HD ARG 31 28.826 -4.955 2.292 244 HE ARG 31 HE ARG 31 29.077 -3.076 4.448 245 1HH1 ARG 31 1HH1 ARG 31 30.378 -6.017 3.188 246 2HH1 ARG 31 2HH1 ARG 31 31.958 -5.748 3.843 247 1HH2 ARG 31 1HH2 ARG 31 31.134 -2.716 5.307 248 2HH2 ARG 31 2HH2 ARG 31 32.386 -3.882 5.043 249 H GLU 32 H GLU 32 22.974 -5.505 4.909 250 HA GLU 32 HA GLU 32 21.620 -2.993 4.041 251 1HB GLU 32 1HB GLU 32 20.761 -5.890 4.315 252 2HB GLU 32 2HB GLU 32 19.692 -4.596 3.770 253 1HG GLU 32 1HG GLU 32 22.233 -4.579 2.339 254 2HG GLU 32 2HG GLU 32 21.382 -6.113 2.153 255 H LEU 33 H LEU 33 22.050 -5.079 6.820 256 HA LEU 33 HA LEU 33 20.219 -3.298 8.379 257 1HB LEU 33 1HB LEU 33 20.161 -6.184 7.833 258 2HB LEU 33 2HB LEU 33 20.052 -5.796 9.546 259 HG LEU 33 HG LEU 33 18.390 -4.116 7.766 260 1HD1 LEU 33 1HD1 LEU 33 17.957 -7.087 8.104 261 2HD1 LEU 33 2HD1 LEU 33 16.624 -5.984 7.764 262 3HD1 LEU 33 3HD1 LEU 33 17.948 -6.147 6.612 263 1HD2 LEU 33 1HD2 LEU 33 18.556 -4.859 10.502 264 2HD2 LEU 33 2HD2 LEU 33 17.402 -3.753 9.758 265 3HD2 LEU 33 3HD2 LEU 33 17.014 -5.468 9.903 266 HA PRO 34 HA PRO 34 23.545 -2.780 11.185 267 1HB PRO 34 1HB PRO 34 22.164 -3.306 13.591 268 2HB PRO 34 2HB PRO 34 22.370 -1.720 12.827 269 1HG PRO 34 1HG PRO 34 20.055 -3.557 12.771 270 2HG PRO 34 2HG PRO 34 20.103 -1.789 12.695 271 1HD PRO 34 1HD PRO 34 19.584 -3.300 10.532 272 2HD PRO 34 2HD PRO 34 20.466 -1.761 10.423 273 HA PRO 35 HA PRO 35 25.151 -6.851 11.602 274 1HB PRO 35 1HB PRO 35 26.571 -6.519 13.961 275 2HB PRO 35 2HB PRO 35 27.183 -6.089 12.353 276 1HG PRO 35 1HG PRO 35 26.022 -4.356 14.463 277 2HG PRO 35 2HG PRO 35 27.329 -4.023 13.317 278 1HD PRO 35 1HD PRO 35 24.832 -3.033 13.014 279 2HD PRO 35 2HD PRO 35 25.888 -3.422 11.639 280 H ASP 36 H ASP 36 23.683 -5.190 14.373 281 HA ASP 36 HA ASP 36 23.207 -7.473 16.022 282 1HB ASP 36 1HB ASP 36 23.032 -4.959 16.511 283 2HB ASP 36 2HB ASP 36 21.443 -5.028 15.749 284 H GLN 37 H GLN 37 21.141 -5.905 13.548 285 HA GLN 37 HA GLN 37 18.937 -7.745 13.842 286 1HB GLN 37 1HB GLN 37 19.827 -5.527 12.120 287 2HB GLN 37 2HB GLN 37 18.802 -6.701 11.294 288 1HG GLN 37 1HG GLN 37 17.417 -4.951 12.308 289 2HG GLN 37 2HG GLN 37 17.127 -6.492 13.117 290 2HE2 GLN 37 2HE2 GLN 37 16.388 -4.798 14.875 291 1HE2 GLN 37 1HE2 GLN 37 17.585 -4.294 15.970 292 H ALA 38 H ALA 38 21.704 -7.585 11.588 293 HA ALA 38 HA ALA 38 21.001 -9.732 9.877 294 1HB ALA 38 1HB ALA 38 23.539 -8.437 10.832 295 2HB ALA 38 2HB ALA 38 23.637 -9.864 9.800 296 3HB ALA 38 3HB ALA 38 22.819 -8.412 9.222 297 H GLN 39 H GLN 39 22.962 -9.800 12.877 298 HA GLN 39 HA GLN 39 23.505 -12.582 12.932 299 1HB GLN 39 1HB GLN 39 24.232 -10.496 14.391 300 2HB GLN 39 2HB GLN 39 22.898 -11.016 15.421 301 1HG GLN 39 1HG GLN 39 24.207 -13.390 14.866 302 2HG GLN 39 2HG GLN 39 25.533 -12.238 15.028 303 2HE2 GLN 39 2HE2 GLN 39 26.007 -13.482 17.104 304 1HE2 GLN 39 1HE2 GLN 39 25.140 -13.071 18.503 305 H TYR 40 H TYR 40 20.723 -10.764 14.247 306 HA TYR 40 HA TYR 40 19.396 -13.023 15.431 307 1HB TYR 40 1HB TYR 40 18.890 -10.200 14.759 308 2HB TYR 40 2HB TYR 40 17.437 -11.198 14.757 309 HD1 TYR 40 HD1 TYR 40 16.288 -11.242 16.773 310 HD2 TYR 40 HD2 TYR 40 20.573 -10.950 16.814 311 HE1 TYR 40 HE1 TYR 40 16.262 -11.211 19.253 312 HE2 TYR 40 HE2 TYR 40 20.548 -10.918 19.294 313 HH TYR 40 HH TYR 40 18.191 -11.931 21.120 314 H CYS 41 H CYS 41 19.050 -11.434 12.244 315 HA CYS 41 HA CYS 41 16.910 -13.005 11.231 316 1HB CYS 41 1HB CYS 41 19.202 -11.422 10.119 317 2HB CYS 41 2HB CYS 41 18.228 -12.388 9.012 318 HG CYS 41 HG CYS 41 17.287 -9.858 10.480 319 H ILE 42 H ILE 42 20.438 -13.474 10.809 320 HA ILE 42 HA ILE 42 20.296 -15.892 9.322 321 HB ILE 42 HB ILE 42 22.364 -14.870 11.295 322 1HG1 ILE 42 1HG1 ILE 42 22.302 -14.582 8.280 323 2HG1 ILE 42 2HG1 ILE 42 21.631 -13.361 9.361 324 1HG2 ILE 42 1HG2 ILE 42 22.599 -17.288 10.642 325 2HG2 ILE 42 2HG2 ILE 42 22.699 -16.773 8.959 326 3HG2 ILE 42 3HG2 ILE 42 23.943 -16.279 10.107 327 1HD1 ILE 42 1HD1 ILE 42 24.373 -14.289 10.015 328 2HD1 ILE 42 2HD1 ILE 42 24.212 -13.346 8.532 329 3HD1 ILE 42 3HD1 ILE 42 23.690 -12.662 10.071 330 H LYS 43 H LYS 43 19.901 -15.275 12.747 331 HA LYS 43 HA LYS 43 20.366 -17.981 13.669 332 1HB LYS 43 1HB LYS 43 19.996 -15.476 14.760 333 2HB LYS 43 2HB LYS 43 18.473 -16.273 15.153 334 1HG LYS 43 1HG LYS 43 19.455 -17.715 16.613 335 2HG LYS 43 2HG LYS 43 20.877 -17.930 15.591 336 1HD LYS 43 1HD LYS 43 21.906 -16.705 17.219 337 2HD LYS 43 2HD LYS 43 21.210 -15.340 16.345 338 1HE LYS 43 1HE LYS 43 19.589 -16.735 18.470 339 2HE LYS 43 2HE LYS 43 20.780 -15.498 18.920 340 1HZ LYS 43 1HZ LYS 43 18.670 -15.152 16.855 341 2HZ LYS 43 2HZ LYS 43 18.586 -14.534 18.436 342 3HZ LYS 43 3HZ LYS 43 19.780 -13.974 17.364 343 H ARG 44 H ARG 44 17.478 -16.148 12.689 344 HA ARG 44 HA ARG 44 15.681 -18.428 13.181 345 1HB ARG 44 1HB ARG 44 15.551 -15.569 12.354 346 2HB ARG 44 2HB ARG 44 14.214 -16.601 11.840 347 1HG ARG 44 1HG ARG 44 13.690 -15.611 14.014 348 2HG ARG 44 2HG ARG 44 13.929 -17.350 14.200 349 1HD ARG 44 1HD ARG 44 16.184 -17.013 15.046 350 2HD ARG 44 2HD ARG 44 16.089 -15.273 14.713 351 HE ARG 44 HE ARG 44 13.871 -15.716 16.286 352 1HH1 ARG 44 1HH1 ARG 44 17.232 -16.479 16.539 353 2HH1 ARG 44 2HH1 ARG 44 17.253 -16.391 18.268 354 1HH2 ARG 44 1HH2 ARG 44 13.888 -15.601 18.535 355 2HH2 ARG 44 2HH2 ARG 44 15.361 -15.893 19.398 356 H MET 45 H MET 45 16.147 -16.426 10.243 357 HA MET 45 HA MET 45 15.152 -17.884 8.219 358 1HB MET 45 1HB MET 45 17.691 -16.372 8.630 359 2HB MET 45 2HB MET 45 17.503 -17.241 7.113 360 1HG MET 45 1HG MET 45 15.417 -16.090 6.656 361 2HG MET 45 2HG MET 45 15.479 -15.288 8.224 362 1HE MET 45 1HE MET 45 14.903 -13.426 7.082 363 2HE MET 45 2HE MET 45 16.180 -12.435 7.795 364 3HE MET 45 3HE MET 45 15.885 -12.380 6.061 365 HA PRO 46 HA PRO 46 17.368 -21.739 8.717 366 1HB PRO 46 1HB PRO 46 15.104 -22.809 7.119 367 2HB PRO 46 2HB PRO 46 15.719 -23.339 8.695 368 1HG PRO 46 1HG PRO 46 13.418 -21.981 8.426 369 2HG PRO 46 2HG PRO 46 14.461 -21.832 9.848 370 1HD PRO 46 1HD PRO 46 14.028 -19.928 7.622 371 2HD PRO 46 2HD PRO 46 14.462 -19.618 9.317 372 H ALA 47 H ALA 47 16.892 -23.643 6.500 373 HA ALA 47 HA ALA 47 18.742 -22.429 4.540 374 1HB ALA 47 1HB ALA 47 17.534 -25.197 4.854 375 2HB ALA 47 2HB ALA 47 19.112 -24.684 5.452 376 3HB ALA 47 3HB ALA 47 18.815 -24.778 3.716 377 H TYR 48 H TYR 48 18.171 -21.927 2.423 378 HA TYR 48 HA TYR 48 15.392 -21.500 1.777 379 1HB TYR 48 1HB TYR 48 17.173 -20.104 0.902 380 2HB TYR 48 2HB TYR 48 17.962 -21.500 0.168 381 HD1 TYR 48 HD1 TYR 48 17.883 -20.686 -2.121 382 HD2 TYR 48 HD2 TYR 48 14.301 -21.033 0.227 383 HE1 TYR 48 HE1 TYR 48 16.513 -20.384 -4.166 384 HE2 TYR 48 HE2 TYR 48 12.933 -20.732 -1.818 385 HH TYR 48 HH TYR 48 14.462 -20.168 -4.988 386 H SER 49 H SER 49 17.812 -23.711 0.313 387 HA SER 49 HA SER 49 17.510 -25.762 -0.822 388 1HB SER 49 1HB SER 49 16.073 -25.736 1.580 389 2HB SER 49 2HB SER 49 14.931 -26.363 0.395 390 HG SER 49 HG SER 49 16.714 -27.748 1.556 391 H GLY 50 H GLY 50 17.076 -24.749 -2.901 392 1HA GLY 50 1HA GLY 50 15.153 -23.540 -4.167 393 2HA GLY 50 2HA GLY 50 14.202 -24.947 -3.687 394 HA PRO 51 HA PRO 51 15.799 -26.636 -7.422 395 1HB PRO 51 1HB PRO 51 15.185 -24.927 -9.535 396 2HB PRO 51 2HB PRO 51 14.034 -26.028 -8.754 397 1HG PRO 51 1HG PRO 51 14.425 -23.114 -8.368 398 2HG PRO 51 2HG PRO 51 12.938 -24.072 -8.329 399 1HD PRO 51 1HD PRO 51 14.134 -23.161 -6.089 400 2HD PRO 51 2HD PRO 51 13.234 -24.692 -6.138 401 H GLY 52 H GLY 52 18.074 -26.196 -6.659 402 1HA GLY 52 1HA GLY 52 19.588 -24.827 -8.782 403 2HA GLY 52 2HA GLY 52 20.274 -25.823 -7.498 404 H SER 53 H SER 53 19.008 -24.474 -5.300 405 HA SER 53 HA SER 53 19.210 -21.710 -5.215 406 1HB SER 53 1HB SER 53 19.883 -22.359 -2.723 407 2HB SER 53 2HB SER 53 18.271 -22.700 -3.343 408 HG SER 53 HG SER 53 19.597 -24.465 -2.299 409 H VAL 54 H VAL 54 21.113 -21.077 -3.262 410 HA VAL 54 HA VAL 54 23.716 -21.600 -4.664 411 HB VAL 54 HB VAL 54 24.257 -19.250 -4.140 412 1HG1 VAL 54 1HG1 VAL 54 21.646 -19.808 -5.553 413 2HG1 VAL 54 2HG1 VAL 54 22.340 -18.188 -5.497 414 3HG1 VAL 54 3HG1 VAL 54 23.229 -19.503 -6.266 415 1HG2 VAL 54 1HG2 VAL 54 22.384 -19.525 -2.147 416 2HG2 VAL 54 2HG2 VAL 54 23.038 -17.983 -2.696 417 3HG2 VAL 54 3HG2 VAL 54 21.502 -18.567 -3.337 418 HA PRO 55 HA PRO 55 25.235 -22.734 -0.717 419 1HB PRO 55 1HB PRO 55 27.844 -21.812 -0.845 420 2HB PRO 55 2HB PRO 55 27.274 -23.311 -1.603 421 1HG PRO 55 1HG PRO 55 27.766 -20.646 -2.812 422 2HG PRO 55 2HG PRO 55 28.030 -22.262 -3.487 423 1HD PRO 55 1HD PRO 55 25.933 -20.703 -4.191 424 2HD PRO 55 2HD PRO 55 25.854 -22.478 -4.172 425 H GLY 56 H GLY 56 23.724 -20.802 -0.004 426 1HA GLY 56 1HA GLY 56 25.245 -18.450 0.947 427 2HA GLY 56 2HA GLY 56 24.538 -19.485 2.188 428 H ALA 57 H ALA 57 22.145 -20.157 0.710 429 HA ALA 57 HA ALA 57 20.808 -17.479 0.502 430 1HB ALA 57 1HB ALA 57 19.127 -19.290 -0.672 431 2HB ALA 57 2HB ALA 57 20.385 -18.415 -1.546 432 3HB ALA 57 3HB ALA 57 20.691 -20.051 -0.965 433 H LEU 58 H LEU 58 19.682 -17.059 2.359 434 HA LEU 58 HA LEU 58 18.508 -19.345 3.887 435 1HB LEU 58 1HB LEU 58 18.946 -16.450 4.681 436 2HB LEU 58 2HB LEU 58 18.570 -17.793 5.753 437 HG LEU 58 HG LEU 58 20.897 -17.543 5.998 438 1HD1 LEU 58 1HD1 LEU 58 19.965 -19.868 5.068 439 2HD1 LEU 58 2HD1 LEU 58 21.046 -19.479 3.729 440 3HD1 LEU 58 3HD1 LEU 58 21.684 -19.616 5.367 441 1HD2 LEU 58 1HD2 LEU 58 20.829 -16.094 3.736 442 2HD2 LEU 58 2HD2 LEU 58 22.335 -16.734 4.395 443 3HD2 LEU 58 3HD2 LEU 58 21.516 -17.581 3.082 444 H ASP 59 H ASP 59 16.294 -19.002 4.774 445 HA ASP 59 HA ASP 59 14.622 -17.393 2.878 446 1HB ASP 59 1HB ASP 59 12.818 -18.966 3.901 447 2HB ASP 59 2HB ASP 59 13.990 -19.665 2.794 448 H TYR 60 H TYR 60 14.151 -15.422 3.781 449 HA TYR 60 HA TYR 60 13.996 -14.940 6.641 450 1HB TYR 60 1HB TYR 60 13.190 -12.713 5.805 451 2HB TYR 60 2HB TYR 60 14.654 -13.244 4.978 452 HD1 TYR 60 HD1 TYR 60 14.704 -13.419 2.641 453 HD2 TYR 60 HD2 TYR 60 10.923 -13.319 4.678 454 HE1 TYR 60 HE1 TYR 60 13.530 -13.311 0.459 455 HE2 TYR 60 HE2 TYR 60 9.750 -13.210 2.496 456 HH TYR 60 HH TYR 60 11.306 -13.849 -0.459 457 H ALA 61 H ALA 61 11.764 -15.967 4.153 458 HA ALA 61 HA ALA 61 9.275 -15.166 5.236 459 1HB ALA 61 1HB ALA 61 10.043 -17.787 3.899 460 2HB ALA 61 2HB ALA 61 8.423 -17.096 3.960 461 3HB ALA 61 3HB ALA 61 9.691 -16.288 3.040 462 H ALA 62 H ALA 62 11.331 -17.983 5.986 463 HA ALA 62 HA ALA 62 9.602 -19.236 7.875 464 1HB ALA 62 1HB ALA 62 11.381 -20.626 7.652 465 2HB ALA 62 2HB ALA 62 12.355 -19.323 6.972 466 3HB ALA 62 3HB ALA 62 12.278 -19.545 8.719 467 H PHE 63 H PHE 63 11.776 -16.514 8.095 468 HA PHE 63 HA PHE 63 11.966 -16.186 10.911 469 1HB PHE 63 1HB PHE 63 13.156 -15.033 8.929 470 2HB PHE 63 2HB PHE 63 11.754 -13.965 8.872 471 HD1 PHE 63 HD1 PHE 63 11.261 -12.425 10.719 472 HD2 PHE 63 HD2 PHE 63 14.717 -14.971 10.793 473 HE1 PHE 63 HE1 PHE 63 12.210 -11.081 12.574 474 HE2 PHE 63 HE2 PHE 63 15.666 -13.629 12.649 475 HZ PHE 63 HZ PHE 63 14.413 -11.685 13.542 476 H SER 64 H SER 64 9.625 -14.725 8.612 477 HA SER 64 HA SER 64 8.095 -13.385 10.663 478 1HB SER 64 1HB SER 64 8.295 -13.445 7.884 479 2HB SER 64 2HB SER 64 6.681 -14.074 8.200 480 HG SER 64 HG SER 64 6.382 -11.934 8.234 481 H SER 65 H SER 65 7.759 -16.525 9.023 482 HA SER 65 HA SER 65 5.161 -17.188 10.031 483 1HB SER 65 1HB SER 65 5.711 -19.366 9.202 484 2HB SER 65 2HB SER 65 6.569 -18.235 8.160 485 HG SER 65 HG SER 65 7.691 -20.166 9.266 486 H ALA 66 H ALA 66 8.436 -17.825 11.311 487 HA ALA 66 HA ALA 66 7.481 -19.323 13.616 488 1HB ALA 66 1HB ALA 66 9.870 -19.113 14.275 489 2HB ALA 66 2HB ALA 66 10.109 -17.944 12.976 490 3HB ALA 66 3HB ALA 66 9.700 -19.617 12.594 491 H LEU 67 H LEU 67 8.560 -15.962 13.074 492 HA LEU 67 HA LEU 67 8.469 -15.115 15.806 493 1HB LEU 67 1HB LEU 67 8.653 -13.985 13.099 494 2HB LEU 67 2HB LEU 67 7.876 -12.902 14.254 495 HG LEU 67 HG LEU 67 9.966 -13.820 15.746 496 1HD1 LEU 67 1HD1 LEU 67 10.878 -15.076 13.816 497 2HD1 LEU 67 2HD1 LEU 67 10.950 -13.579 12.886 498 3HD1 LEU 67 3HD1 LEU 67 11.968 -13.781 14.312 499 1HD2 LEU 67 1HD2 LEU 67 9.706 -11.451 13.888 500 2HD2 LEU 67 2HD2 LEU 67 9.496 -11.495 15.639 501 3HD2 LEU 67 3HD2 LEU 67 11.109 -11.645 14.939 502 H TYR 68 H TYR 68 5.999 -14.985 13.219 503 HA TYR 68 HA TYR 68 3.991 -14.042 15.204 504 1HB TYR 68 1HB TYR 68 4.238 -14.191 12.205 505 2HB TYR 68 2HB TYR 68 2.662 -13.934 12.953 506 HD1 TYR 68 HD1 TYR 68 5.310 -12.241 11.530 507 HD2 TYR 68 HD2 TYR 68 2.875 -12.168 15.069 508 HE1 TYR 68 HE1 TYR 68 5.854 -9.843 11.856 509 HE2 TYR 68 HE2 TYR 68 3.421 -9.770 15.394 510 HH TYR 68 HH TYR 68 5.548 -8.246 14.594 511 H GLY 69 H GLY 69 5.172 -16.937 14.661 512 1HA GLY 69 1HA GLY 69 4.209 -19.102 14.177 513 2HA GLY 69 2HA GLY 69 2.614 -18.349 14.122 514 H GLU 70 H GLU 70 2.848 -20.614 15.629 515 HA GLU 70 HA GLU 70 2.034 -19.744 18.254 516 1HB GLU 70 1HB GLU 70 2.526 -22.292 16.775 517 2HB GLU 70 2HB GLU 70 2.438 -22.386 18.534 518 1HG GLU 70 1HG GLU 70 0.227 -21.600 18.596 519 2HG GLU 70 2HG GLU 70 0.338 -20.882 16.988 520 H SER 71 H SER 71 3.236 -21.372 20.081 521 HA SER 71 HA SER 71 6.157 -21.301 19.883 522 1HB SER 71 1HB SER 71 6.252 -19.643 21.846 523 2HB SER 71 2HB SER 71 5.813 -18.972 20.278 524 HG SER 71 HG SER 71 4.429 -18.357 22.075 525 H ASP 72 H ASP 72 6.991 -21.633 22.357 526 HA ASP 72 HA ASP 72 5.368 -23.904 23.411 527 1HB ASP 72 1HB ASP 72 8.255 -23.020 23.614 528 2HB ASP 72 2HB ASP 72 7.605 -24.329 24.603 529 H LEU 73 H LEU 73 4.444 -23.771 25.440 530 HA LEU 73 HA LEU 73 4.625 -21.202 26.889 531 1HB LEU 73 1HB LEU 73 2.524 -22.588 26.333 532 2HB LEU 73 2HB LEU 73 3.051 -23.680 27.613 533 HG LEU 73 HG LEU 73 3.281 -21.324 28.915 534 1HD1 LEU 73 1HD1 LEU 73 2.207 -20.397 26.641 535 2HD1 LEU 73 2HD1 LEU 73 0.716 -20.855 27.465 536 3HD1 LEU 73 3HD1 LEU 73 1.815 -19.693 28.210 537 1HD2 LEU 73 1HD2 LEU 73 1.945 -23.455 29.452 538 2HD2 LEU 73 2HD2 LEU 73 1.287 -21.939 30.066 539 3HD2 LEU 73 3HD2 LEU 73 0.593 -22.681 28.625 540 H GLY 7 H GLY 7 12.397 5.590 -2.966 541 1HA GLY 7 1HA GLY 7 14.790 5.909 -1.365 542 2HA GLY 7 2HA GLY 7 14.852 4.432 -2.326 543 H LYS 8 H LYS 8 12.660 3.148 -2.186 544 HA LYS 8 HA LYS 8 11.303 3.397 0.431 545 1HB LYS 8 1HB LYS 8 9.896 1.589 -0.552 546 2HB LYS 8 2HB LYS 8 10.047 2.970 -1.640 547 1HG LYS 8 1HG LYS 8 11.022 1.696 -3.219 548 2HG LYS 8 2HG LYS 8 12.224 1.110 -2.067 549 1HD LYS 8 1HD LYS 8 11.195 -0.898 -2.372 550 2HD LYS 8 2HD LYS 8 10.005 -0.253 -1.240 551 1HE LYS 8 1HE LYS 8 9.807 0.147 -4.244 552 2HE LYS 8 2HE LYS 8 8.995 -1.172 -3.378 553 1HZ LYS 8 1HZ LYS 8 8.227 0.697 -1.811 554 2HZ LYS 8 2HZ LYS 8 8.600 1.739 -3.099 555 3HZ LYS 8 3HZ LYS 8 7.435 0.524 -3.303 556 H LYS 9 H LYS 9 14.077 1.877 -0.745 557 HA LYS 9 HA LYS 9 13.980 -0.704 0.472 558 1HB LYS 9 1HB LYS 9 15.641 0.488 -1.184 559 2HB LYS 9 2HB LYS 9 16.474 0.969 0.295 560 1HG LYS 9 1HG LYS 9 16.188 -1.598 0.900 561 2HG LYS 9 2HG LYS 9 16.085 -1.769 -0.853 562 1HD LYS 9 1HD LYS 9 18.378 -1.923 -0.585 563 2HD LYS 9 2HD LYS 9 18.217 -0.177 -0.780 564 1HE LYS 9 1HE LYS 9 18.111 0.057 1.711 565 2HE LYS 9 2HE LYS 9 18.416 -1.686 1.851 566 1HZ LYS 9 1HZ LYS 9 20.148 -0.054 0.125 567 2HZ LYS 9 2HZ LYS 9 20.408 -0.030 1.805 568 3HZ LYS 9 3HZ LYS 9 20.504 -1.493 0.948 569 H ALA 10 H ALA 10 14.989 2.468 1.750 570 HA ALA 10 HA ALA 10 16.036 1.602 4.249 571 1HB ALA 10 1HB ALA 10 15.176 4.008 4.871 572 2HB ALA 10 2HB ALA 10 16.418 3.835 3.631 573 3HB ALA 10 3HB ALA 10 14.738 4.093 3.165 574 H GLU 11 H GLU 11 12.699 2.383 3.269 575 HA GLU 11 HA GLU 11 11.474 2.199 5.838 576 1HB GLU 11 1HB GLU 11 10.763 2.655 3.175 577 2HB GLU 11 2HB GLU 11 9.866 1.201 3.616 578 1HG GLU 11 1HG GLU 11 9.890 3.403 5.616 579 2HG GLU 11 2HG GLU 11 8.952 3.680 4.150 580 H ALA 12 H ALA 12 12.167 -0.296 3.386 581 HA ALA 12 HA ALA 12 10.793 -2.462 4.640 582 1HB ALA 12 1HB ALA 12 11.462 -2.987 2.506 583 2HB ALA 12 2HB ALA 12 12.932 -2.021 2.625 584 3HB ALA 12 3HB ALA 12 12.875 -3.631 3.341 585 H VAL 13 H VAL 13 14.146 -1.277 4.997 586 HA VAL 13 HA VAL 13 15.055 -3.326 6.783 587 HB VAL 13 HB VAL 13 15.842 -0.404 6.506 588 1HG1 VAL 13 1HG1 VAL 13 16.927 -2.699 8.038 589 2HG1 VAL 13 2HG1 VAL 13 18.115 -1.761 7.133 590 3HG1 VAL 13 3HG1 VAL 13 17.094 -0.968 8.332 591 1HG2 VAL 13 1HG2 VAL 13 15.833 -2.071 4.459 592 2HG2 VAL 13 2HG2 VAL 13 17.229 -1.030 4.736 593 3HG2 VAL 13 3HG2 VAL 13 17.277 -2.720 5.238 594 H ALA 14 H ALA 14 13.572 -0.131 7.372 595 HA ALA 14 HA ALA 14 13.717 -0.138 10.218 596 1HB ALA 14 1HB ALA 14 13.173 1.825 8.872 597 2HB ALA 14 2HB ALA 14 11.715 1.040 8.263 598 3HB ALA 14 3HB ALA 14 11.825 1.499 9.962 599 H THR 15 H THR 15 11.210 -1.383 8.002 600 HA THR 15 HA THR 15 9.336 -2.195 10.014 601 HB THR 15 HB THR 15 9.943 -3.120 7.191 602 HG1 THR 15 HG1 THR 15 7.753 -1.619 8.137 603 1HG2 THR 15 1HG2 THR 15 7.947 -4.059 9.188 604 2HG2 THR 15 2HG2 THR 15 7.371 -3.816 7.539 605 3HG2 THR 15 3HG2 THR 15 8.700 -4.931 7.854 606 H VAL 16 H VAL 16 11.979 -3.954 8.370 607 HA VAL 16 HA VAL 16 11.528 -6.499 9.601 608 HB VAL 16 HB VAL 16 14.120 -5.222 8.670 609 1HG1 VAL 16 1HG1 VAL 16 13.184 -8.061 9.098 610 2HG1 VAL 16 2HG1 VAL 16 14.520 -7.687 8.008 611 3HG1 VAL 16 3HG1 VAL 16 14.638 -7.280 9.719 612 1HG2 VAL 16 1HG2 VAL 16 11.794 -5.495 7.199 613 2HG2 VAL 16 2HG2 VAL 16 13.420 -5.423 6.519 614 3HG2 VAL 16 3HG2 VAL 16 12.661 -6.985 6.824 615 H VAL 17 H VAL 17 13.703 -3.801 10.511 616 HA VAL 17 HA VAL 17 14.879 -4.994 12.805 617 HB VAL 17 HB VAL 17 14.129 -2.110 12.213 618 1HG1 VAL 17 1HG1 VAL 17 15.029 -3.109 14.602 619 2HG1 VAL 17 2HG1 VAL 17 16.546 -2.726 13.788 620 3HG1 VAL 17 3HG1 VAL 17 15.334 -1.468 14.032 621 1HG2 VAL 17 1HG2 VAL 17 16.018 -3.936 11.025 622 2HG2 VAL 17 2HG2 VAL 17 15.692 -2.256 10.597 623 3HG2 VAL 17 3HG2 VAL 17 16.888 -2.634 11.836 624 H ALA 18 H ALA 18 11.870 -3.092 12.479 625 HA ALA 18 HA ALA 18 11.176 -2.981 15.243 626 1HB ALA 18 1HB ALA 18 9.434 -3.149 12.760 627 2HB ALA 18 2HB ALA 18 10.149 -1.672 13.405 628 3HB ALA 18 3HB ALA 18 8.919 -2.533 14.331 629 H ALA 19 H ALA 19 10.320 -5.375 12.723 630 HA ALA 19 HA ALA 19 8.730 -7.061 14.422 631 1HB ALA 19 1HB ALA 19 8.799 -8.529 12.546 632 2HB ALA 19 2HB ALA 19 10.374 -7.925 12.035 633 3HB ALA 19 3HB ALA 19 8.940 -6.914 11.853 634 H VAL 20 H VAL 20 12.182 -7.124 13.513 635 HA VAL 20 HA VAL 20 12.827 -9.549 14.931 636 HB VAL 20 HB VAL 20 14.397 -7.141 13.972 637 1HG1 VAL 20 1HG1 VAL 20 15.371 -9.734 15.202 638 2HG1 VAL 20 2HG1 VAL 20 16.405 -8.639 14.284 639 3HG1 VAL 20 3HG1 VAL 20 15.667 -8.099 15.794 640 1HG2 VAL 20 1HG2 VAL 20 13.206 -8.944 12.449 641 2HG2 VAL 20 2HG2 VAL 20 14.844 -8.410 12.069 642 3HG2 VAL 20 3HG2 VAL 20 14.587 -9.940 12.907 643 H ASP 21 H ASP 21 13.046 -6.091 15.812 644 HA ASP 21 HA ASP 21 14.232 -6.468 18.393 645 1HB ASP 21 1HB ASP 21 13.617 -4.385 16.768 646 2HB ASP 21 2HB ASP 21 12.310 -4.244 17.944 647 H GLN 22 H GLN 22 10.869 -6.518 17.273 648 HA GLN 22 HA GLN 22 9.618 -6.478 19.863 649 1HB GLN 22 1HB GLN 22 8.889 -6.451 17.182 650 2HB GLN 22 2HB GLN 22 8.266 -8.000 17.750 651 1HG GLN 22 1HG GLN 22 7.813 -5.480 19.339 652 2HG GLN 22 2HG GLN 22 6.743 -5.912 18.005 653 2HE2 GLN 22 2HE2 GLN 22 4.921 -6.408 19.403 654 1HE2 GLN 22 1HE2 GLN 22 4.920 -7.765 20.423 655 H ALA 23 H ALA 23 10.838 -9.104 17.802 656 HA ALA 23 HA ALA 23 9.754 -11.294 19.302 657 1HB ALA 23 1HB ALA 23 10.839 -12.469 17.679 658 2HB ALA 23 2HB ALA 23 11.164 -10.885 16.975 659 3HB ALA 23 3HB ALA 23 12.373 -11.661 17.997 660 H ARG 24 H ARG 24 12.909 -9.606 19.514 661 HA ARG 24 HA ARG 24 13.953 -11.311 21.603 662 1HB ARG 24 1HB ARG 24 15.809 -9.942 21.396 663 2HB ARG 24 2HB ARG 24 15.013 -9.573 19.869 664 1HG ARG 24 1HG ARG 24 13.865 -7.643 21.055 665 2HG ARG 24 2HG ARG 24 14.934 -7.945 22.424 666 1HD ARG 24 1HD ARG 24 15.833 -7.273 19.594 667 2HD ARG 24 2HD ARG 24 15.896 -6.191 20.999 668 HE ARG 24 HE ARG 24 17.242 -8.811 21.296 669 1HH1 ARG 24 1HH1 ARG 24 17.465 -5.406 20.669 670 2HH1 ARG 24 2HH1 ARG 24 19.136 -5.318 21.106 671 1HH2 ARG 24 1HH2 ARG 24 19.414 -8.688 21.847 672 2HH2 ARG 24 2HH2 ARG 24 20.237 -7.166 21.766 673 H VAL 25 H VAL 25 12.135 -8.268 21.596 674 HA VAL 25 HA VAL 25 12.411 -7.477 24.282 675 HB VAL 25 HB VAL 25 10.064 -7.379 22.366 676 1HG1 VAL 25 1HG1 VAL 25 10.534 -6.012 25.025 677 2HG1 VAL 25 2HG1 VAL 25 9.398 -5.390 23.827 678 3HG1 VAL 25 3HG1 VAL 25 9.146 -6.984 24.538 679 1HG2 VAL 25 1HG2 VAL 25 12.544 -6.187 22.204 680 2HG2 VAL 25 2HG2 VAL 25 11.079 -5.568 21.443 681 3HG2 VAL 25 3HG2 VAL 25 11.589 -4.944 23.011 682 H ARG 26 H ARG 26 10.746 -10.214 22.965 683 HA ARG 26 HA ARG 26 9.675 -12.016 24.073 684 1HB ARG 26 1HB ARG 26 11.564 -11.033 25.784 685 2HB ARG 26 2HB ARG 26 10.101 -10.813 26.747 686 1HG ARG 26 1HG ARG 26 10.834 -13.003 27.279 687 2HG ARG 26 2HG ARG 26 9.533 -13.245 26.113 688 1HD ARG 26 1HD ARG 26 11.899 -12.907 24.585 689 2HD ARG 26 2HD ARG 26 12.294 -14.044 25.888 690 HE ARG 26 HE ARG 26 9.697 -14.614 24.733 691 1HH1 ARG 26 1HH1 ARG 26 13.113 -14.938 24.335 692 2HH1 ARG 26 2HH1 ARG 26 12.995 -16.378 23.382 693 1HH2 ARG 26 1HH2 ARG 26 9.533 -16.495 23.493 694 2HH2 ARG 26 2HH2 ARG 26 10.972 -17.260 22.908 695 H GLU 27 H GLU 27 7.766 -10.677 23.090 696 HA GLU 27 HA GLU 27 6.160 -9.069 24.909 697 1HB GLU 27 1HB GLU 27 4.641 -9.009 23.021 698 2HB GLU 27 2HB GLU 27 6.284 -8.915 22.389 699 1HG GLU 27 1HG GLU 27 5.832 -11.644 22.519 700 2HG GLU 27 2HG GLU 27 4.264 -11.008 22.018 701 HA PRO 28 HA PRO 28 4.081 -12.524 26.693 702 1HB PRO 28 1HB PRO 28 2.143 -11.112 28.065 703 2HB PRO 28 2HB PRO 28 3.817 -11.299 28.624 704 1HG PRO 28 1HG PRO 28 2.524 -9.002 27.253 705 2HG PRO 28 2HG PRO 28 3.749 -9.014 28.533 706 1HD PRO 28 1HD PRO 28 4.334 -8.514 25.935 707 2HD PRO 28 2HD PRO 28 5.481 -9.280 27.056 708 H ARG 29 H ARG 29 2.389 -13.823 26.000 709 HA ARG 29 HA ARG 29 0.702 -12.910 23.808 710 1HB ARG 29 1HB ARG 29 1.763 -15.240 24.407 711 2HB ARG 29 2HB ARG 29 0.308 -15.443 25.385 712 1HG ARG 29 1HG ARG 29 -0.699 -14.466 23.005 713 2HG ARG 29 2HG ARG 29 0.618 -15.509 22.468 714 1HD ARG 29 1HD ARG 29 -0.309 -17.341 23.920 715 2HD ARG 29 2HD ARG 29 -1.702 -16.295 24.265 716 HE ARG 29 HE ARG 29 -2.467 -16.678 22.060 717 1HH1 ARG 29 1HH1 ARG 29 0.866 -17.504 22.434 718 2HH1 ARG 29 2HH1 ARG 29 1.011 -18.173 20.844 719 1HH2 ARG 29 1HH2 ARG 29 -2.288 -17.545 19.986 720 2HH2 ARG 29 2HH2 ARG 29 -0.773 -18.199 19.459 No H/Q in entry = 720 Start of MODEL 20 1 H MET 1 H MET 1 -6.981 -7.001 -5.636 2 HA MET 1 HA MET 1 -7.404 -9.854 -5.138 3 1HB MET 1 1HB MET 1 -5.999 -10.578 -7.048 4 2HB MET 1 2HB MET 1 -7.433 -9.715 -7.606 5 1HG MET 1 1HG MET 1 -6.190 -7.722 -8.031 6 2HG MET 1 2HG MET 1 -4.786 -8.326 -7.151 7 1HE MET 1 1HE MET 1 -6.846 -8.058 -10.085 8 2HE MET 1 2HE MET 1 -5.323 -7.341 -10.603 9 3HE MET 1 3HE MET 1 -5.944 -8.766 -11.432 10 H ALA 2 H ALA 2 -6.367 -8.000 -3.400 11 HA ALA 2 HA ALA 2 -3.484 -8.784 -3.284 12 1HB ALA 2 1HB ALA 2 -4.695 -6.019 -2.977 13 2HB ALA 2 2HB ALA 2 -3.018 -6.408 -2.595 14 3HB ALA 2 3HB ALA 2 -3.601 -6.554 -4.253 15 H ASP 3 H ASP 3 -2.635 -8.761 -1.090 16 HA ASP 3 HA ASP 3 -4.559 -8.298 1.124 17 1HB ASP 3 1HB ASP 3 -4.039 -10.647 1.947 18 2HB ASP 3 2HB ASP 3 -5.007 -10.582 0.473 19 H THR 4 H THR 4 -3.411 -8.454 3.265 20 HA THR 4 HA THR 4 -0.473 -8.546 3.245 21 HB THR 4 HB THR 4 -1.063 -6.301 2.336 22 HG1 THR 4 HG1 THR 4 0.184 -5.153 3.860 23 1HG2 THR 4 1HG2 THR 4 -3.242 -6.225 3.676 24 2HG2 THR 4 2HG2 THR 4 -2.254 -5.737 5.053 25 3HG2 THR 4 3HG2 THR 4 -2.315 -4.728 3.608 26 H ASP 5 H ASP 5 0.309 -7.817 5.557 27 HA ASP 5 HA ASP 5 -1.524 -7.830 7.770 28 1HB ASP 5 1HB ASP 5 -1.488 -10.223 6.530 29 2HB ASP 5 2HB ASP 5 -0.113 -10.452 7.612 30 H THR 6 H THR 6 0.069 -9.204 9.661 31 HA THR 6 HA THR 6 2.250 -7.302 10.021 32 HB THR 6 HB THR 6 1.742 -9.851 11.566 33 HG1 THR 6 HG1 THR 6 0.340 -7.389 11.672 34 1HG2 THR 6 1HG2 THR 6 3.699 -8.240 12.020 35 2HG2 THR 6 2HG2 THR 6 2.472 -7.107 12.587 36 3HG2 THR 6 3HG2 THR 6 2.674 -8.663 13.391 37 H ALA 7 H ALA 7 2.121 -10.867 9.613 38 HA ALA 7 HA ALA 7 4.986 -11.164 9.348 39 1HB ALA 7 1HB ALA 7 2.504 -12.789 8.981 40 2HB ALA 7 2HB ALA 7 3.985 -13.395 8.240 41 3HB ALA 7 3HB ALA 7 3.919 -13.118 9.981 42 H GLU 8 H GLU 8 2.304 -11.096 6.981 43 HA GLU 8 HA GLU 8 3.776 -11.500 4.608 44 1HB GLU 8 1HB GLU 8 1.373 -11.478 4.635 45 2HB GLU 8 2HB GLU 8 1.334 -9.839 5.289 46 1HG GLU 8 1HG GLU 8 1.544 -8.913 3.240 47 2HG GLU 8 2HG GLU 8 2.859 -10.003 2.802 48 H GLN 9 H GLN 9 3.292 -8.538 6.511 49 HA GLN 9 HA GLN 9 4.405 -6.664 4.669 50 1HB GLN 9 1HB GLN 9 3.105 -6.145 6.717 51 2HB GLN 9 2HB GLN 9 4.446 -6.726 7.705 52 1HG GLN 9 1HG GLN 9 5.844 -4.942 7.084 53 2HG GLN 9 2HG GLN 9 4.888 -4.570 5.649 54 2HE2 GLN 9 2HE2 GLN 9 5.473 -2.506 7.500 55 1HE2 GLN 9 1HE2 GLN 9 4.045 -2.058 8.301 56 H VAL 10 H VAL 10 5.951 -8.610 7.241 57 HA VAL 10 HA VAL 10 8.587 -7.548 6.971 58 HB VAL 10 HB VAL 10 7.581 -10.302 7.761 59 1HG1 VAL 10 1HG1 VAL 10 10.248 -8.919 8.071 60 2HG1 VAL 10 2HG1 VAL 10 9.753 -10.228 9.144 61 3HG1 VAL 10 3HG1 VAL 10 9.920 -10.521 7.413 62 1HG2 VAL 10 1HG2 VAL 10 7.036 -7.869 8.933 63 2HG2 VAL 10 2HG2 VAL 10 7.037 -9.414 9.783 64 3HG2 VAL 10 3HG2 VAL 10 8.472 -8.389 9.817 65 H ILE 11 H ILE 11 6.983 -10.291 5.351 66 HA ILE 11 HA ILE 11 9.186 -11.295 3.883 67 HB ILE 11 HB ILE 11 6.218 -11.104 3.279 68 1HG1 ILE 11 1HG1 ILE 11 7.915 -13.378 4.355 69 2HG1 ILE 11 2HG1 ILE 11 6.908 -12.325 5.351 70 1HG2 ILE 11 1HG2 ILE 11 8.411 -12.011 1.625 71 2HG2 ILE 11 2HG2 ILE 11 7.357 -13.366 2.032 72 3HG2 ILE 11 3HG2 ILE 11 6.690 -11.938 1.240 73 1HD1 ILE 11 1HD1 ILE 11 5.463 -13.439 3.060 74 2HD1 ILE 11 2HD1 ILE 11 6.072 -14.681 4.155 75 3HD1 ILE 11 3HD1 ILE 11 5.012 -13.410 4.766 76 H ALA 12 H ALA 12 6.749 -8.842 2.910 77 HA ALA 12 HA ALA 12 7.869 -8.218 0.366 78 1HB ALA 12 1HB ALA 12 6.204 -6.778 2.429 79 2HB ALA 12 2HB ALA 12 6.715 -5.938 0.965 80 3HB ALA 12 3HB ALA 12 5.713 -7.385 0.847 81 H SER 13 H SER 13 8.588 -7.037 3.631 82 HA SER 13 HA SER 13 10.460 -4.986 2.849 83 1HB SER 13 1HB SER 13 9.978 -6.621 5.356 84 2HB SER 13 2HB SER 13 11.163 -5.320 5.288 85 HG SER 13 HG SER 13 8.500 -5.181 5.583 86 H PHE 14 H PHE 14 10.775 -8.436 3.701 87 HA PHE 14 HA PHE 14 13.668 -8.510 3.573 88 1HB PHE 14 1HB PHE 14 11.359 -10.346 3.781 89 2HB PHE 14 2HB PHE 14 12.783 -11.052 3.013 90 HD1 PHE 14 HD1 PHE 14 11.302 -11.140 5.990 91 HD2 PHE 14 HD2 PHE 14 15.013 -9.735 4.346 92 HE1 PHE 14 HE1 PHE 14 12.379 -11.382 8.212 93 HE2 PHE 14 HE2 PHE 14 16.089 -9.977 6.567 94 HZ PHE 14 HZ PHE 14 14.772 -10.801 8.499 95 H ARG 15 H ARG 15 11.086 -9.221 1.203 96 HA ARG 15 HA ARG 15 12.681 -10.149 -0.937 97 1HB ARG 15 1HB ARG 15 10.058 -9.642 -0.512 98 2HB ARG 15 2HB ARG 15 10.460 -8.240 -1.503 99 1HG ARG 15 1HG ARG 15 11.729 -10.326 -2.818 100 2HG ARG 15 2HG ARG 15 10.215 -11.051 -2.278 101 1HD ARG 15 1HD ARG 15 8.927 -9.266 -3.349 102 2HD ARG 15 2HD ARG 15 10.427 -8.437 -3.818 103 HE ARG 15 HE ARG 15 10.596 -11.123 -4.735 104 1HH1 ARG 15 1HH1 ARG 15 8.788 -8.225 -5.253 105 2HH1 ARG 15 2HH1 ARG 15 8.467 -8.570 -6.918 106 1HH2 ARG 15 1HH2 ARG 15 10.183 -11.582 -6.903 107 2HH2 ARG 15 2HH2 ARG 15 9.258 -10.467 -7.853 108 H ILE 16 H ILE 16 11.905 -6.825 0.076 109 HA ILE 16 HA ILE 16 13.226 -5.449 -2.055 110 HB ILE 16 HB ILE 16 12.579 -4.819 0.835 111 1HG1 ILE 16 1HG1 ILE 16 11.421 -3.872 -1.809 112 2HG1 ILE 16 2HG1 ILE 16 10.696 -5.087 -0.755 113 1HG2 ILE 16 1HG2 ILE 16 14.139 -3.267 -1.175 114 2HG2 ILE 16 2HG2 ILE 16 12.939 -2.376 -0.238 115 3HG2 ILE 16 3HG2 ILE 16 14.235 -3.242 0.586 116 1HD1 ILE 16 1HD1 ILE 16 11.370 -2.342 0.291 117 2HD1 ILE 16 2HD1 ILE 16 9.849 -2.642 -0.549 118 3HD1 ILE 16 3HD1 ILE 16 10.222 -3.515 0.936 119 H LEU 17 H LEU 17 14.390 -6.614 1.114 120 HA LEU 17 HA LEU 17 17.042 -5.524 0.933 121 1HB LEU 17 1HB LEU 17 15.945 -7.991 2.330 122 2HB LEU 17 2HB LEU 17 17.489 -7.222 2.700 123 HG LEU 17 HG LEU 17 14.719 -6.059 3.047 124 1HD1 LEU 17 1HD1 LEU 17 17.028 -6.638 4.924 125 2HD1 LEU 17 2HD1 LEU 17 15.580 -5.744 5.389 126 3HD1 LEU 17 3HD1 LEU 17 15.455 -7.435 4.903 127 1HD2 LEU 17 1HD2 LEU 17 17.433 -4.713 3.174 128 2HD2 LEU 17 2HD2 LEU 17 16.098 -4.308 2.095 129 3HD2 LEU 17 3HD2 LEU 17 15.955 -4.004 3.826 130 H ALA 18 H ALA 18 15.647 -8.663 -0.018 131 HA ALA 18 HA ALA 18 18.181 -9.726 -1.005 132 1HB ALA 18 1HB ALA 18 15.354 -10.613 -1.634 133 2HB ALA 18 2HB ALA 18 16.811 -11.606 -1.610 134 3HB ALA 18 3HB ALA 18 16.147 -10.978 -0.101 135 H SER 19 H SER 19 16.000 -7.435 -2.208 136 HA SER 19 HA SER 19 15.926 -6.342 -4.307 137 1HB SER 19 1HB SER 19 18.471 -7.321 -4.000 138 2HB SER 19 2HB SER 19 17.978 -8.101 -5.500 139 HG SER 19 HG SER 19 18.919 -5.994 -5.780 140 H ASP 20 H ASP 20 13.856 -7.850 -4.203 141 HA ASP 20 HA ASP 20 12.342 -9.169 -5.450 142 1HB ASP 20 1HB ASP 20 14.282 -7.947 -7.237 143 2HB ASP 20 2HB ASP 20 13.714 -9.486 -7.884 144 H LYS 21 H LYS 21 13.558 -10.790 -3.766 145 HA LYS 21 HA LYS 21 14.208 -13.202 -5.378 146 1HB LYS 21 1HB LYS 21 15.945 -11.894 -3.267 147 2HB LYS 21 2HB LYS 21 16.191 -13.552 -3.818 148 1HG LYS 21 1HG LYS 21 16.058 -12.315 -6.211 149 2HG LYS 21 2HG LYS 21 16.694 -10.987 -5.240 150 1HD LYS 21 1HD LYS 21 18.138 -13.261 -4.427 151 2HD LYS 21 2HD LYS 21 18.054 -13.363 -6.186 152 1HE LYS 21 1HE LYS 21 18.671 -10.783 -6.046 153 2HE LYS 21 2HE LYS 21 19.345 -11.266 -4.477 154 1HZ LYS 21 1HZ LYS 21 20.307 -13.231 -5.778 155 2HZ LYS 21 2HZ LYS 21 20.014 -12.294 -7.166 156 3HZ LYS 21 3HZ LYS 21 21.062 -11.719 -5.961 157 HA PRO 22 HA PRO 22 11.683 -14.864 -2.178 158 1HB PRO 22 1HB PRO 22 12.754 -17.503 -3.030 159 2HB PRO 22 2HB PRO 22 11.074 -16.936 -2.968 160 1HG PRO 22 1HG PRO 22 12.387 -17.228 -5.279 161 2HG PRO 22 2HG PRO 22 11.182 -15.956 -5.029 162 1HD PRO 22 1HD PRO 22 14.142 -15.756 -5.132 163 2HD PRO 22 2HD PRO 22 12.905 -14.581 -5.629 164 H TYR 23 H TYR 23 15.003 -14.817 -2.213 165 HA TYR 23 HA TYR 23 15.134 -15.832 0.586 166 1HB TYR 23 1HB TYR 23 17.106 -17.198 -0.020 167 2HB TYR 23 2HB TYR 23 15.694 -17.693 -0.953 168 HD1 TYR 23 HD1 TYR 23 18.867 -15.775 -1.072 169 HD2 TYR 23 HD2 TYR 23 15.590 -17.387 -3.333 170 HE1 TYR 23 HE1 TYR 23 20.088 -15.305 -3.179 171 HE2 TYR 23 HE2 TYR 23 16.811 -16.916 -5.439 172 HH TYR 23 HH TYR 23 19.404 -16.659 -6.038 173 H ILE 24 H ILE 24 17.235 -15.138 1.624 174 HA ILE 24 HA ILE 24 18.429 -12.741 0.278 175 HB ILE 24 HB ILE 24 16.588 -12.496 2.161 176 1HG1 ILE 24 1HG1 ILE 24 17.941 -10.662 1.134 177 2HG1 ILE 24 2HG1 ILE 24 17.616 -10.393 2.847 178 1HG2 ILE 24 1HG2 ILE 24 18.041 -14.072 3.646 179 2HG2 ILE 24 2HG2 ILE 24 19.018 -12.631 3.933 180 3HG2 ILE 24 3HG2 ILE 24 17.313 -12.646 4.386 181 1HD1 ILE 24 1HD1 ILE 24 19.936 -11.778 3.028 182 2HD1 ILE 24 2HD1 ILE 24 20.182 -10.973 1.479 183 3HD1 ILE 24 3HD1 ILE 24 19.869 -10.018 2.929 184 H LEU 25 H LEU 25 20.670 -12.534 0.575 185 HA LEU 25 HA LEU 25 22.102 -14.877 1.593 186 1HB LEU 25 1HB LEU 25 22.860 -12.221 0.350 187 2HB LEU 25 2HB LEU 25 24.063 -13.416 0.839 188 HG LEU 25 HG LEU 25 21.831 -14.480 -0.784 189 1HD1 LEU 25 1HD1 LEU 25 23.126 -12.081 -1.614 190 2HD1 LEU 25 2HD1 LEU 25 23.751 -13.392 -2.614 191 3HD1 LEU 25 3HD1 LEU 25 22.015 -13.088 -2.542 192 1HD2 LEU 25 1HD2 LEU 25 24.137 -15.503 0.061 193 2HD2 LEU 25 2HD2 LEU 25 23.467 -15.958 -1.506 194 3HD2 LEU 25 3HD2 LEU 25 24.748 -14.749 -1.412 195 H ALA 26 H ALA 26 23.760 -14.716 3.271 196 HA ALA 26 HA ALA 26 22.907 -13.269 5.621 197 1HB ALA 26 1HB ALA 26 25.181 -15.026 4.770 198 2HB ALA 26 2HB ALA 26 24.009 -15.267 6.065 199 3HB ALA 26 3HB ALA 26 25.338 -14.129 6.281 200 H GLU 27 H GLU 27 25.576 -12.794 3.290 201 HA GLU 27 HA GLU 27 26.881 -10.639 4.610 202 1HB GLU 27 1HB GLU 27 26.529 -11.155 1.640 203 2HB GLU 27 2HB GLU 27 27.855 -10.286 2.406 204 1HG GLU 27 1HG GLU 27 28.174 -12.505 3.764 205 2HG GLU 27 2HG GLU 27 27.263 -13.228 2.439 206 H GLU 28 H GLU 28 24.082 -10.711 2.434 207 HA GLU 28 HA GLU 28 23.858 -7.894 1.974 208 1HB GLU 28 1HB GLU 28 22.077 -10.313 1.877 209 2HB GLU 28 2HB GLU 28 21.360 -8.714 1.666 210 1HG GLU 28 1HG GLU 28 23.385 -8.400 -0.023 211 2HG GLU 28 2HG GLU 28 23.312 -10.162 -0.084 212 H LEU 29 H LEU 29 22.397 -10.021 4.450 213 HA LEU 29 HA LEU 29 20.817 -8.045 5.763 214 1HB LEU 29 1HB LEU 29 22.245 -10.523 6.788 215 2HB LEU 29 2HB LEU 29 20.965 -9.677 7.657 216 HG LEU 29 HG LEU 29 20.767 -11.172 5.038 217 1HD1 LEU 29 1HD1 LEU 29 20.071 -11.667 7.792 218 2HD1 LEU 29 2HD1 LEU 29 18.610 -11.655 6.805 219 3HD1 LEU 29 3HD1 LEU 29 19.934 -12.750 6.409 220 1HD2 LEU 29 1HD2 LEU 29 18.825 -9.182 6.253 221 2HD2 LEU 29 2HD2 LEU 29 19.608 -9.069 4.677 222 3HD2 LEU 29 3HD2 LEU 29 18.397 -10.317 4.972 223 H ARG 30 H ARG 30 24.233 -8.910 6.040 224 HA ARG 30 HA ARG 30 24.818 -7.394 8.416 225 1HB ARG 30 1HB ARG 30 26.198 -8.839 6.251 226 2HB ARG 30 2HB ARG 30 27.141 -7.512 6.931 227 1HG ARG 30 1HG ARG 30 26.930 -8.414 9.162 228 2HG ARG 30 2HG ARG 30 25.786 -9.640 8.611 229 1HD ARG 30 1HD ARG 30 27.481 -10.782 7.340 230 2HD ARG 30 2HD ARG 30 28.629 -9.447 7.565 231 HE ARG 30 HE ARG 30 29.051 -10.245 9.752 232 1HH1 ARG 30 1HH1 ARG 30 26.135 -11.551 8.435 233 2HH1 ARG 30 2HH1 ARG 30 25.877 -12.642 9.755 234 1HH2 ARG 30 1HH2 ARG 30 28.723 -11.663 11.475 235 2HH2 ARG 30 2HH2 ARG 30 27.341 -12.706 11.475 236 H ARG 31 H ARG 31 24.787 -6.582 4.955 237 HA ARG 31 HA ARG 31 25.784 -3.845 5.544 238 1HB ARG 31 1HB ARG 31 26.206 -5.639 3.525 239 2HB ARG 31 2HB ARG 31 24.956 -4.618 2.813 240 1HG ARG 31 1HG ARG 31 26.463 -2.660 3.760 241 2HG ARG 31 2HG ARG 31 27.728 -3.887 3.683 242 1HD ARG 31 1HD ARG 31 27.135 -4.292 1.281 243 2HD ARG 31 2HD ARG 31 25.985 -2.944 1.380 244 HE ARG 31 HE ARG 31 28.525 -2.104 2.410 245 1HH1 ARG 31 1HH1 ARG 31 26.874 -2.928 -0.509 246 2HH1 ARG 31 2HH1 ARG 31 27.860 -1.911 -1.506 247 1HH2 ARG 31 1HH2 ARG 31 29.818 -0.779 1.122 248 2HH2 ARG 31 2HH2 ARG 31 29.526 -0.697 -0.584 249 H GLU 32 H GLU 32 22.798 -5.521 4.904 250 HA GLU 32 HA GLU 32 21.394 -3.000 4.186 251 1HB GLU 32 1HB GLU 32 20.717 -5.946 4.259 252 2HB GLU 32 2HB GLU 32 19.483 -4.720 3.968 253 1HG GLU 32 1HG GLU 32 20.636 -3.924 2.003 254 2HG GLU 32 2HG GLU 32 22.035 -4.940 2.350 255 H LEU 33 H LEU 33 21.842 -5.184 6.888 256 HA LEU 33 HA LEU 33 19.903 -3.541 8.472 257 1HB LEU 33 1HB LEU 33 20.185 -6.443 7.976 258 2HB LEU 33 2HB LEU 33 19.918 -6.002 9.658 259 HG LEU 33 HG LEU 33 18.214 -4.949 7.391 260 1HD1 LEU 33 1HD1 LEU 33 18.306 -7.597 8.406 261 2HD1 LEU 33 2HD1 LEU 33 16.860 -6.846 9.080 262 3HD1 LEU 33 3HD1 LEU 33 17.094 -6.899 7.332 263 1HD2 LEU 33 1HD2 LEU 33 18.089 -4.899 10.405 264 2HD2 LEU 33 2HD2 LEU 33 17.952 -3.552 9.274 265 3HD2 LEU 33 3HD2 LEU 33 16.627 -4.704 9.437 266 HA PRO 34 HA PRO 34 23.197 -2.781 11.257 267 1HB PRO 34 1HB PRO 34 21.399 -3.498 13.507 268 2HB PRO 34 2HB PRO 34 22.254 -1.976 13.190 269 1HG PRO 34 1HG PRO 34 19.606 -2.226 12.859 270 2HG PRO 34 2HG PRO 34 20.599 -1.167 11.846 271 1HD PRO 34 1HD PRO 34 19.383 -3.797 11.200 272 2HD PRO 34 2HD PRO 34 19.705 -2.403 10.146 273 HA PRO 35 HA PRO 35 25.125 -6.610 12.130 274 1HB PRO 35 1HB PRO 35 26.112 -6.183 14.689 275 2HB PRO 35 2HB PRO 35 26.922 -5.659 13.199 276 1HG PRO 35 1HG PRO 35 25.259 -4.099 15.100 277 2HG PRO 35 2HG PRO 35 26.694 -3.610 14.186 278 1HD PRO 35 1HD PRO 35 24.197 -2.869 13.477 279 2HD PRO 35 2HD PRO 35 25.492 -3.136 12.289 280 H ASP 36 H ASP 36 23.161 -5.180 14.735 281 HA ASP 36 HA ASP 36 22.634 -7.591 16.184 282 1HB ASP 36 1HB ASP 36 21.451 -4.860 15.876 283 2HB ASP 36 2HB ASP 36 20.491 -6.081 16.712 284 H GLN 37 H GLN 37 20.774 -5.952 13.602 285 HA GLN 37 HA GLN 37 18.660 -7.913 13.507 286 1HB GLN 37 1HB GLN 37 19.684 -5.621 11.885 287 2HB GLN 37 2HB GLN 37 18.558 -6.730 11.102 288 1HG GLN 37 1HG GLN 37 17.335 -4.885 12.171 289 2HG GLN 37 2HG GLN 37 16.964 -6.414 12.970 290 2HE2 GLN 37 2HE2 GLN 37 16.982 -6.206 15.205 291 1HE2 GLN 37 1HE2 GLN 37 17.997 -5.168 16.084 292 H ALA 38 H ALA 38 21.607 -7.427 11.538 293 HA ALA 38 HA ALA 38 21.220 -9.490 9.645 294 1HB ALA 38 1HB ALA 38 23.948 -9.059 10.745 295 2HB ALA 38 2HB ALA 38 23.099 -7.613 10.200 296 3HB ALA 38 3HB ALA 38 23.380 -8.945 9.079 297 H GLN 39 H GLN 39 22.877 -9.665 12.821 298 HA GLN 39 HA GLN 39 23.499 -12.460 12.686 299 1HB GLN 39 1HB GLN 39 24.199 -10.425 14.259 300 2HB GLN 39 2HB GLN 39 22.903 -11.066 15.270 301 1HG GLN 39 1HG GLN 39 24.883 -13.006 14.153 302 2HG GLN 39 2HG GLN 39 25.404 -11.973 15.484 303 2HE2 GLN 39 2HE2 GLN 39 25.446 -14.181 16.662 304 1HE2 GLN 39 1HE2 GLN 39 23.999 -14.710 17.373 305 H TYR 40 H TYR 40 20.724 -10.708 14.099 306 HA TYR 40 HA TYR 40 19.404 -13.002 15.205 307 1HB TYR 40 1HB TYR 40 19.111 -10.315 15.294 308 2HB TYR 40 2HB TYR 40 17.830 -10.706 14.147 309 HD1 TYR 40 HD1 TYR 40 18.825 -10.708 17.610 310 HD2 TYR 40 HD2 TYR 40 16.124 -12.501 14.790 311 HE1 TYR 40 HE1 TYR 40 17.378 -11.466 19.477 312 HE2 TYR 40 HE2 TYR 40 14.678 -13.258 16.658 313 HH TYR 40 HH TYR 40 14.765 -13.688 18.991 314 H CYS 41 H CYS 41 18.965 -11.305 12.079 315 HA CYS 41 HA CYS 41 16.894 -13.020 11.081 316 1HB CYS 41 1HB CYS 41 19.005 -11.395 9.625 317 2HB CYS 41 2HB CYS 41 17.469 -11.937 8.948 318 HG CYS 41 HG CYS 41 17.662 -9.865 11.289 319 H ILE 42 H ILE 42 20.427 -13.011 10.448 320 HA ILE 42 HA ILE 42 20.505 -15.264 8.728 321 HB ILE 42 HB ILE 42 22.418 -13.974 10.676 322 1HG1 ILE 42 1HG1 ILE 42 22.927 -14.203 7.757 323 2HG1 ILE 42 2HG1 ILE 42 21.558 -13.196 8.224 324 1HG2 ILE 42 1HG2 ILE 42 22.722 -16.526 9.147 325 2HG2 ILE 42 2HG2 ILE 42 24.107 -15.437 9.217 326 3HG2 ILE 42 3HG2 ILE 42 23.404 -16.067 10.707 327 1HD1 ILE 42 1HD1 ILE 42 23.837 -12.684 9.942 328 2HD1 ILE 42 2HD1 ILE 42 24.269 -12.459 8.248 329 3HD1 ILE 42 3HD1 ILE 42 22.924 -11.555 8.942 330 H LYS 43 H LYS 43 20.105 -15.079 12.203 331 HA LYS 43 HA LYS 43 20.835 -17.876 12.695 332 1HB LYS 43 1HB LYS 43 20.958 -15.789 14.239 333 2HB LYS 43 2HB LYS 43 19.232 -16.056 14.492 334 1HG LYS 43 1HG LYS 43 20.926 -18.470 14.739 335 2HG LYS 43 2HG LYS 43 21.179 -17.246 15.984 336 1HD LYS 43 1HD LYS 43 18.592 -17.197 16.164 337 2HD LYS 43 2HD LYS 43 18.648 -18.733 15.300 338 1HE LYS 43 1HE LYS 43 19.123 -19.786 17.247 339 2HE LYS 43 2HE LYS 43 20.613 -18.829 17.383 340 1HZ LYS 43 1HZ LYS 43 17.922 -17.795 18.094 341 2HZ LYS 43 2HZ LYS 43 18.995 -18.463 19.229 342 3HZ LYS 43 3HZ LYS 43 19.422 -17.054 18.389 343 H ARG 44 H ARG 44 17.881 -16.046 12.066 344 HA ARG 44 HA ARG 44 16.130 -18.315 12.754 345 1HB ARG 44 1HB ARG 44 15.791 -15.515 11.666 346 2HB ARG 44 2HB ARG 44 14.425 -16.622 11.810 347 1HG ARG 44 1HG ARG 44 16.267 -15.822 14.084 348 2HG ARG 44 2HG ARG 44 14.647 -15.180 13.818 349 1HD ARG 44 1HD ARG 44 14.326 -17.972 13.726 350 2HD ARG 44 2HD ARG 44 15.421 -17.673 15.091 351 HE ARG 44 HE ARG 44 13.523 -15.711 15.408 352 1HH1 ARG 44 1HH1 ARG 44 13.415 -19.128 14.904 353 2HH1 ARG 44 2HH1 ARG 44 11.940 -19.339 15.785 354 1HH2 ARG 44 1HH2 ARG 44 11.598 -15.980 16.558 355 2HH2 ARG 44 2HH2 ARG 44 10.914 -17.563 16.719 356 H MET 45 H MET 45 16.654 -16.386 9.771 357 HA MET 45 HA MET 45 15.312 -17.796 7.858 358 1HB MET 45 1HB MET 45 17.366 -15.949 7.975 359 2HB MET 45 2HB MET 45 18.110 -17.294 7.110 360 1HG MET 45 1HG MET 45 16.734 -17.067 5.295 361 2HG MET 45 2HG MET 45 15.355 -16.578 6.280 362 1HE MET 45 1HE MET 45 15.203 -14.708 7.557 363 2HE MET 45 2HE MET 45 16.624 -13.712 7.899 364 3HE MET 45 3HE MET 45 15.353 -13.106 6.839 365 HA PRO 46 HA PRO 46 17.198 -21.813 8.334 366 1HB PRO 46 1HB PRO 46 15.281 -23.134 6.791 367 2HB PRO 46 2HB PRO 46 15.175 -22.863 8.541 368 1HG PRO 46 1HG PRO 46 13.885 -21.389 6.317 369 2HG PRO 46 2HG PRO 46 13.284 -21.738 7.945 370 1HD PRO 46 1HD PRO 46 14.190 -19.302 7.225 371 2HD PRO 46 2HD PRO 46 14.365 -19.938 8.876 372 H ALA 47 H ALA 47 17.104 -23.701 6.272 373 HA ALA 47 HA ALA 47 18.872 -22.432 4.274 374 1HB ALA 47 1HB ALA 47 18.007 -25.266 4.914 375 2HB ALA 47 2HB ALA 47 19.559 -24.515 5.280 376 3HB ALA 47 3HB ALA 47 19.125 -24.874 3.608 377 H TYR 48 H TYR 48 18.141 -21.816 2.280 378 HA TYR 48 HA TYR 48 15.394 -22.039 1.482 379 1HB TYR 48 1HB TYR 48 16.826 -20.260 0.697 380 2HB TYR 48 2HB TYR 48 17.978 -21.413 0.025 381 HD1 TYR 48 HD1 TYR 48 17.896 -20.753 -2.281 382 HD2 TYR 48 HD2 TYR 48 14.283 -21.707 -0.161 383 HE1 TYR 48 HE1 TYR 48 16.643 -20.766 -4.421 384 HE2 TYR 48 HE2 TYR 48 13.031 -21.718 -2.301 385 HH TYR 48 HH TYR 48 14.687 -21.111 -5.403 386 H SER 49 H SER 49 14.434 -23.944 0.882 387 HA SER 49 HA SER 49 16.104 -26.036 -0.452 388 1HB SER 49 1HB SER 49 14.061 -25.967 1.572 389 2HB SER 49 2HB SER 49 13.490 -26.944 0.222 390 HG SER 49 HG SER 49 14.864 -27.962 1.941 391 H GLY 50 H GLY 50 15.800 -26.344 -2.621 392 1HA GLY 50 1HA GLY 50 14.378 -24.850 -4.394 393 2HA GLY 50 2HA GLY 50 13.142 -25.971 -3.820 394 HA PRO 51 HA PRO 51 15.300 -28.342 -6.960 395 1HB PRO 51 1HB PRO 51 16.431 -26.850 -9.010 396 2HB PRO 51 2HB PRO 51 14.695 -27.175 -8.841 397 1HG PRO 51 1HG PRO 51 16.242 -24.746 -8.134 398 2HG PRO 51 2HG PRO 51 14.596 -24.896 -8.767 399 1HD PRO 51 1HD PRO 51 15.123 -24.341 -6.173 400 2HD PRO 51 2HD PRO 51 13.685 -25.246 -6.694 401 H GLY 52 H GLY 52 17.613 -25.662 -6.484 402 1HA GLY 52 1HA GLY 52 19.995 -26.931 -7.229 403 2HA GLY 52 2HA GLY 52 19.688 -27.449 -5.571 404 H SER 53 H SER 53 18.704 -25.233 -4.355 405 HA SER 53 HA SER 53 19.759 -22.729 -4.918 406 1HB SER 53 1HB SER 53 19.502 -23.887 -2.150 407 2HB SER 53 2HB SER 53 19.160 -22.241 -2.674 408 HG SER 53 HG SER 53 17.308 -23.715 -2.369 409 H VAL 54 H VAL 54 21.297 -22.033 -2.643 410 HA VAL 54 HA VAL 54 23.778 -23.682 -2.860 411 HB VAL 54 HB VAL 54 25.064 -21.676 -3.366 412 1HG1 VAL 54 1HG1 VAL 54 22.574 -21.932 -5.078 413 2HG1 VAL 54 2HG1 VAL 54 24.024 -21.050 -5.558 414 3HG1 VAL 54 3HG1 VAL 54 24.097 -22.794 -5.300 415 1HG2 VAL 54 1HG2 VAL 54 22.394 -20.299 -2.978 416 2HG2 VAL 54 2HG2 VAL 54 23.897 -20.006 -2.103 417 3HG2 VAL 54 3HG2 VAL 54 23.753 -19.525 -3.793 418 HA PRO 55 HA PRO 55 23.903 -23.094 1.484 419 1HB PRO 55 1HB PRO 55 26.661 -22.875 1.831 420 2HB PRO 55 2HB PRO 55 25.765 -24.404 1.745 421 1HG PRO 55 1HG PRO 55 27.340 -23.012 -0.349 422 2HG PRO 55 2HG PRO 55 27.144 -24.745 -0.043 423 1HD PRO 55 1HD PRO 55 25.878 -23.482 -2.059 424 2HD PRO 55 2HD PRO 55 25.159 -24.861 -1.198 425 H GLY 56 H GLY 56 22.964 -20.917 1.310 426 1HA GLY 56 1HA GLY 56 24.672 -18.608 0.866 427 2HA GLY 56 2HA GLY 56 24.319 -18.859 2.576 428 H ALA 57 H ALA 57 22.133 -19.587 -0.115 429 HA ALA 57 HA ALA 57 20.548 -17.156 0.238 430 1HB ALA 57 1HB ALA 57 19.008 -18.719 -1.268 431 2HB ALA 57 2HB ALA 57 20.478 -18.003 -1.927 432 3HB ALA 57 3HB ALA 57 20.482 -19.679 -1.378 433 H LEU 58 H LEU 58 19.748 -17.142 2.392 434 HA LEU 58 HA LEU 58 18.285 -19.519 3.396 435 1HB LEU 58 1HB LEU 58 18.874 -16.794 4.599 436 2HB LEU 58 2HB LEU 58 18.242 -18.188 5.474 437 HG LEU 58 HG LEU 58 20.802 -18.446 3.923 438 1HD1 LEU 58 1HD1 LEU 58 20.421 -16.557 5.996 439 2HD1 LEU 58 2HD1 LEU 58 21.287 -17.913 6.717 440 3HD1 LEU 58 3HD1 LEU 58 21.953 -17.092 5.305 441 1HD2 LEU 58 1HD2 LEU 58 19.527 -19.759 6.334 442 2HD2 LEU 58 2HD2 LEU 58 19.946 -20.500 4.788 443 3HD2 LEU 58 3HD2 LEU 58 21.219 -20.018 5.910 444 H ASP 59 H ASP 59 16.038 -19.332 4.086 445 HA ASP 59 HA ASP 59 14.505 -17.343 2.467 446 1HB ASP 59 1HB ASP 59 14.172 -20.132 3.419 447 2HB ASP 59 2HB ASP 59 12.702 -19.156 3.414 448 H TYR 60 H TYR 60 14.015 -15.546 3.670 449 HA TYR 60 HA TYR 60 13.850 -15.522 6.565 450 1HB TYR 60 1HB TYR 60 13.073 -13.180 6.101 451 2HB TYR 60 2HB TYR 60 14.547 -13.596 5.227 452 HD1 TYR 60 HD1 TYR 60 14.624 -13.503 2.866 453 HD2 TYR 60 HD2 TYR 60 10.832 -13.435 4.883 454 HE1 TYR 60 HE1 TYR 60 13.489 -13.015 0.715 455 HE2 TYR 60 HE2 TYR 60 9.698 -12.947 2.732 456 HH TYR 60 HH TYR 60 11.380 -13.113 -0.312 457 H ALA 61 H ALA 61 11.573 -16.117 3.984 458 HA ALA 61 HA ALA 61 9.116 -15.397 5.181 459 1HB ALA 61 1HB ALA 61 10.020 -17.572 3.291 460 2HB ALA 61 2HB ALA 61 8.322 -17.410 3.737 461 3HB ALA 61 3HB ALA 61 9.147 -16.087 2.913 462 H ALA 62 H ALA 62 11.164 -18.242 5.697 463 HA ALA 62 HA ALA 62 9.266 -19.742 7.263 464 1HB ALA 62 1HB ALA 62 10.958 -21.157 6.722 465 2HB ALA 62 2HB ALA 62 12.075 -19.818 6.453 466 3HB ALA 62 3HB ALA 62 11.832 -20.451 8.082 467 H PHE 63 H PHE 63 11.714 -17.349 8.033 468 HA PHE 63 HA PHE 63 11.526 -17.592 10.914 469 1HB PHE 63 1HB PHE 63 13.500 -16.690 9.892 470 2HB PHE 63 2HB PHE 63 12.564 -15.508 8.978 471 HD1 PHE 63 HD1 PHE 63 11.905 -16.383 12.512 472 HD2 PHE 63 HD2 PHE 63 13.655 -13.525 9.825 473 HE1 PHE 63 HE1 PHE 63 12.124 -14.763 14.377 474 HE2 PHE 63 HE2 PHE 63 13.874 -11.905 11.689 475 HZ PHE 63 HZ PHE 63 13.109 -12.525 13.966 476 H SER 64 H SER 64 9.927 -15.558 8.479 477 HA SER 64 HA SER 64 8.704 -13.638 10.155 478 1HB SER 64 1HB SER 64 7.340 -14.915 7.790 479 2HB SER 64 2HB SER 64 7.362 -13.218 8.261 480 HG SER 64 HG SER 64 8.791 -13.472 6.579 481 H SER 65 H SER 65 7.386 -16.800 9.094 482 HA SER 65 HA SER 65 4.958 -16.621 10.615 483 1HB SER 65 1HB SER 65 6.591 -18.878 9.435 484 2HB SER 65 2HB SER 65 5.031 -19.150 10.204 485 HG SER 65 HG SER 65 5.282 -17.139 8.266 486 H ALA 66 H ALA 66 8.178 -17.909 11.375 487 HA ALA 66 HA ALA 66 7.395 -19.138 13.885 488 1HB ALA 66 1HB ALA 66 9.641 -19.740 13.955 489 2HB ALA 66 2HB ALA 66 10.175 -18.205 13.270 490 3HB ALA 66 3HB ALA 66 9.448 -19.430 12.230 491 H LEU 67 H LEU 67 8.849 -15.995 13.003 492 HA LEU 67 HA LEU 67 9.245 -15.154 15.748 493 1HB LEU 67 1HB LEU 67 10.281 -13.403 14.718 494 2HB LEU 67 2HB LEU 67 10.133 -14.406 13.285 495 HG LEU 67 HG LEU 67 7.875 -13.236 12.905 496 1HD1 LEU 67 1HD1 LEU 67 8.733 -12.004 15.382 497 2HD1 LEU 67 2HD1 LEU 67 8.529 -10.781 14.128 498 3HD1 LEU 67 3HD1 LEU 67 7.188 -11.848 14.546 499 1HD2 LEU 67 1HD2 LEU 67 9.934 -12.764 11.604 500 2HD2 LEU 67 2HD2 LEU 67 8.967 -11.308 11.842 501 3HD2 LEU 67 3HD2 LEU 67 10.411 -11.575 12.816 502 H TYR 68 H TYR 68 6.713 -14.567 13.333 503 HA TYR 68 HA TYR 68 5.120 -13.053 15.342 504 1HB TYR 68 1HB TYR 68 5.337 -13.287 12.399 505 2HB TYR 68 2HB TYR 68 3.695 -13.070 13.006 506 HD1 TYR 68 HD1 TYR 68 6.311 -11.281 11.737 507 HD2 TYR 68 HD2 TYR 68 3.782 -11.331 15.208 508 HE1 TYR 68 HE1 TYR 68 6.763 -8.870 12.100 509 HE2 TYR 68 HE2 TYR 68 4.234 -8.920 15.571 510 HH TYR 68 HH TYR 68 6.272 -7.071 13.306 511 H GLY 69 H GLY 69 5.561 -16.220 14.634 512 1HA GLY 69 1HA GLY 69 4.085 -18.100 14.468 513 2HA GLY 69 2HA GLY 69 2.711 -16.998 14.570 514 H GLU 70 H GLU 70 1.910 -18.570 16.216 515 HA GLU 70 HA GLU 70 3.152 -18.049 18.899 516 1HB GLU 70 1HB GLU 70 0.990 -16.943 18.537 517 2HB GLU 70 2HB GLU 70 0.267 -18.477 18.052 518 1HG GLU 70 1HG GLU 70 0.723 -19.409 20.288 519 2HG GLU 70 2HG GLU 70 1.458 -17.881 20.777 520 H SER 71 H SER 71 4.314 -19.957 19.243 521 HA SER 71 HA SER 71 2.714 -22.479 19.302 522 1HB SER 71 1HB SER 71 4.130 -22.077 17.172 523 2HB SER 71 2HB SER 71 5.529 -22.330 18.212 524 HG SER 71 HG SER 71 4.841 -24.279 17.260 525 H ASP 72 H ASP 72 2.950 -21.583 21.676 526 HA ASP 72 HA ASP 72 5.575 -21.919 22.930 527 1HB ASP 72 1HB ASP 72 4.329 -21.322 24.941 528 2HB ASP 72 2HB ASP 72 3.785 -20.292 23.616 529 H LEU 73 H LEU 73 6.291 -23.744 24.030 530 HA LEU 73 HA LEU 73 4.412 -25.921 24.710 531 1HB LEU 73 1HB LEU 73 5.135 -26.039 22.236 532 2HB LEU 73 2HB LEU 73 6.736 -26.454 22.851 533 HG LEU 73 HG LEU 73 4.397 -27.957 23.941 534 1HD1 LEU 73 1HD1 LEU 73 5.522 -28.231 21.150 535 2HD1 LEU 73 2HD1 LEU 73 4.770 -29.592 21.982 536 3HD1 LEU 73 3HD1 LEU 73 3.831 -28.137 21.642 537 1HD2 LEU 73 1HD2 LEU 73 7.330 -28.288 23.535 538 2HD2 LEU 73 2HD2 LEU 73 6.323 -28.770 24.901 539 3HD2 LEU 73 3HD2 LEU 73 6.349 -29.751 23.436 540 H GLY 7 H GLY 7 14.368 6.546 -0.814 541 1HA GLY 7 1HA GLY 7 14.812 4.413 -2.340 542 2HA GLY 7 2HA GLY 7 13.434 5.079 -3.217 543 H LYS 8 H LYS 8 13.394 2.531 -1.932 544 HA LYS 8 HA LYS 8 11.499 3.048 0.339 545 1HB LYS 8 1HB LYS 8 10.307 1.004 -0.615 546 2HB LYS 8 2HB LYS 8 10.256 2.444 -1.633 547 1HG LYS 8 1HG LYS 8 12.070 1.605 -3.008 548 2HG LYS 8 2HG LYS 8 12.303 0.228 -1.930 549 1HD LYS 8 1HD LYS 8 10.915 -0.859 -3.366 550 2HD LYS 8 2HD LYS 8 9.635 0.011 -2.521 551 1HE LYS 8 1HE LYS 8 9.347 0.380 -4.914 552 2HE LYS 8 2HE LYS 8 9.938 1.895 -4.202 553 1HZ LYS 8 1HZ LYS 8 11.810 -0.171 -5.181 554 2HZ LYS 8 2HZ LYS 8 11.168 0.990 -6.238 555 3HZ LYS 8 3HZ LYS 8 12.100 1.480 -4.905 556 H LYS 9 H LYS 9 14.398 1.620 -0.586 557 HA LYS 9 HA LYS 9 14.358 -0.898 0.769 558 1HB LYS 9 1HB LYS 9 16.086 0.546 -0.784 559 2HB LYS 9 2HB LYS 9 16.855 0.693 0.797 560 1HG LYS 9 1HG LYS 9 16.377 -1.903 0.924 561 2HG LYS 9 2HG LYS 9 16.332 -1.769 -0.834 562 1HD LYS 9 1HD LYS 9 18.598 -0.490 0.656 563 2HD LYS 9 2HD LYS 9 18.621 -2.236 0.404 564 1HE LYS 9 1HE LYS 9 18.270 -1.830 -2.056 565 2HE LYS 9 2HE LYS 9 18.454 -0.092 -1.743 566 1HZ LYS 9 1HZ LYS 9 20.552 -0.808 -0.482 567 2HZ LYS 9 2HZ LYS 9 20.429 -2.255 -1.357 568 3HZ LYS 9 3HZ LYS 9 20.616 -0.780 -2.179 569 H ALA 10 H ALA 10 15.331 2.359 1.894 570 HA ALA 10 HA ALA 10 16.119 1.634 4.530 571 1HB ALA 10 1HB ALA 10 15.665 4.052 4.971 572 2HB ALA 10 2HB ALA 10 16.563 3.802 3.473 573 3HB ALA 10 3HB ALA 10 14.834 4.151 3.419 574 H GLU 11 H GLU 11 12.924 2.420 3.177 575 HA GLU 11 HA GLU 11 11.466 2.503 5.639 576 1HB GLU 11 1HB GLU 11 10.944 3.048 3.070 577 2HB GLU 11 2HB GLU 11 10.260 1.424 3.123 578 1HG GLU 11 1HG GLU 11 8.903 2.092 5.102 579 2HG GLU 11 2HG GLU 11 9.534 3.732 4.950 580 H ALA 12 H ALA 12 12.164 -0.177 3.384 581 HA ALA 12 HA ALA 12 10.655 -2.194 4.746 582 1HB ALA 12 1HB ALA 12 11.419 -2.489 2.483 583 2HB ALA 12 2HB ALA 12 13.097 -2.215 2.953 584 3HB ALA 12 3HB ALA 12 12.270 -3.689 3.456 585 H VAL 13 H VAL 13 14.001 -1.050 5.121 586 HA VAL 13 HA VAL 13 14.946 -3.061 6.905 587 HB VAL 13 HB VAL 13 15.583 -0.101 6.660 588 1HG1 VAL 13 1HG1 VAL 13 16.624 -2.223 8.391 589 2HG1 VAL 13 2HG1 VAL 13 17.881 -1.452 7.422 590 3HG1 VAL 13 3HG1 VAL 13 16.865 -0.479 8.485 591 1HG2 VAL 13 1HG2 VAL 13 15.871 -2.146 4.796 592 2HG2 VAL 13 2HG2 VAL 13 16.766 -0.627 4.801 593 3HG2 VAL 13 3HG2 VAL 13 17.460 -2.060 5.557 594 H ALA 14 H ALA 14 13.299 0.044 7.548 595 HA ALA 14 HA ALA 14 13.401 -0.026 10.391 596 1HB ALA 14 1HB ALA 14 12.643 1.762 8.619 597 2HB ALA 14 2HB ALA 14 11.052 1.031 8.832 598 3HB ALA 14 3HB ALA 14 11.883 1.754 10.210 599 H THR 15 H THR 15 11.058 -1.435 8.103 600 HA THR 15 HA THR 15 9.160 -2.341 10.058 601 HB THR 15 HB THR 15 9.915 -3.313 7.284 602 HG1 THR 15 HG1 THR 15 8.681 -1.748 6.634 603 1HG2 THR 15 1HG2 THR 15 8.684 -5.041 8.549 604 2HG2 THR 15 2HG2 THR 15 7.423 -3.864 8.919 605 3HG2 THR 15 3HG2 THR 15 7.694 -4.370 7.252 606 H VAL 16 H VAL 16 11.841 -4.048 8.405 607 HA VAL 16 HA VAL 16 11.528 -6.545 9.767 608 HB VAL 16 HB VAL 16 14.023 -5.232 8.645 609 1HG1 VAL 16 1HG1 VAL 16 14.434 -7.296 9.932 610 2HG1 VAL 16 2HG1 VAL 16 13.229 -8.142 8.962 611 3HG1 VAL 16 3HG1 VAL 16 14.716 -7.560 8.212 612 1HG2 VAL 16 1HG2 VAL 16 11.563 -6.266 7.388 613 2HG2 VAL 16 2HG2 VAL 16 12.787 -5.178 6.734 614 3HG2 VAL 16 3HG2 VAL 16 13.053 -6.921 6.711 615 H VAL 17 H VAL 17 13.497 -3.666 10.512 616 HA VAL 17 HA VAL 17 14.917 -4.732 12.747 617 HB VAL 17 HB VAL 17 13.981 -1.948 11.995 618 1HG1 VAL 17 1HG1 VAL 17 15.977 -2.833 14.103 619 2HG1 VAL 17 2HG1 VAL 17 15.762 -1.168 13.561 620 3HG1 VAL 17 3HG1 VAL 17 14.449 -2.000 14.393 621 1HG2 VAL 17 1HG2 VAL 17 15.791 -3.589 10.756 622 2HG2 VAL 17 2HG2 VAL 17 15.861 -1.827 10.711 623 3HG2 VAL 17 3HG2 VAL 17 16.831 -2.719 11.883 624 H ALA 18 H ALA 18 11.851 -2.883 12.621 625 HA ALA 18 HA ALA 18 11.359 -2.888 15.442 626 1HB ALA 18 1HB ALA 18 10.317 -1.468 13.623 627 2HB ALA 18 2HB ALA 18 9.354 -2.873 13.167 628 3HB ALA 18 3HB ALA 18 9.157 -2.150 14.763 629 H ALA 19 H ALA 19 10.354 -5.133 12.854 630 HA ALA 19 HA ALA 19 8.675 -6.794 14.486 631 1HB ALA 19 1HB ALA 19 8.542 -6.828 12.082 632 2HB ALA 19 2HB ALA 19 10.257 -7.217 11.935 633 3HB ALA 19 3HB ALA 19 9.132 -8.415 12.573 634 H VAL 20 H VAL 20 12.116 -7.099 13.542 635 HA VAL 20 HA VAL 20 12.579 -9.560 14.965 636 HB VAL 20 HB VAL 20 14.442 -7.313 14.132 637 1HG1 VAL 20 1HG1 VAL 20 15.317 -9.032 15.802 638 2HG1 VAL 20 2HG1 VAL 20 15.084 -10.243 14.540 639 3HG1 VAL 20 3HG1 VAL 20 16.216 -8.915 14.290 640 1HG2 VAL 20 1HG2 VAL 20 12.827 -8.742 12.487 641 2HG2 VAL 20 2HG2 VAL 20 14.429 -8.180 12.011 642 3HG2 VAL 20 3HG2 VAL 20 14.209 -9.835 12.580 643 H ASP 21 H ASP 21 13.211 -6.140 15.818 644 HA ASP 21 HA ASP 21 14.434 -6.550 18.336 645 1HB ASP 21 1HB ASP 21 14.318 -4.412 17.145 646 2HB ASP 21 2HB ASP 21 12.565 -4.376 17.339 647 H GLN 22 H GLN 22 11.022 -6.621 17.415 648 HA GLN 22 HA GLN 22 9.786 -6.435 19.952 649 1HB GLN 22 1HB GLN 22 8.956 -6.678 17.435 650 2HB GLN 22 2HB GLN 22 8.821 -8.377 17.886 651 1HG GLN 22 1HG GLN 22 7.025 -7.999 19.214 652 2HG GLN 22 2HG GLN 22 7.739 -6.543 19.908 653 2HE2 GLN 22 2HE2 GLN 22 5.024 -6.455 19.239 654 1HE2 GLN 22 1HE2 GLN 22 4.800 -5.478 17.870 655 H ALA 23 H ALA 23 10.873 -9.388 18.229 656 HA ALA 23 HA ALA 23 10.163 -11.261 20.244 657 1HB ALA 23 1HB ALA 23 11.318 -12.742 18.872 658 2HB ALA 23 2HB ALA 23 11.071 -11.405 17.749 659 3HB ALA 23 3HB ALA 23 12.622 -11.597 18.564 660 H ARG 24 H ARG 24 13.078 -9.265 19.862 661 HA ARG 24 HA ARG 24 14.625 -10.570 21.924 662 1HB ARG 24 1HB ARG 24 15.636 -9.228 20.173 663 2HB ARG 24 2HB ARG 24 14.696 -7.816 20.656 664 1HG ARG 24 1HG ARG 24 16.316 -7.247 22.106 665 2HG ARG 24 2HG ARG 24 16.054 -8.761 22.974 666 1HD ARG 24 1HD ARG 24 17.534 -9.856 21.158 667 2HD ARG 24 2HD ARG 24 18.024 -8.200 20.749 668 HE ARG 24 HE ARG 24 18.122 -8.730 23.615 669 1HH1 ARG 24 1HH1 ARG 24 19.759 -8.989 20.582 670 2HH1 ARG 24 2HH1 ARG 24 21.339 -8.991 21.292 671 1HH2 ARG 24 1HH2 ARG 24 20.176 -8.734 24.546 672 2HH2 ARG 24 2HH2 ARG 24 21.574 -8.850 23.531 673 H VAL 25 H VAL 25 12.324 -7.868 21.924 674 HA VAL 25 HA VAL 25 12.873 -6.882 24.549 675 HB VAL 25 HB VAL 25 11.455 -5.994 22.535 676 1HG1 VAL 25 1HG1 VAL 25 9.888 -8.165 23.156 677 2HG1 VAL 25 2HG1 VAL 25 9.050 -6.860 23.997 678 3HG1 VAL 25 3HG1 VAL 25 9.332 -6.751 22.259 679 1HG2 VAL 25 1HG2 VAL 25 10.941 -5.667 25.474 680 2HG2 VAL 25 2HG2 VAL 25 11.646 -4.523 24.331 681 3HG2 VAL 25 3HG2 VAL 25 9.908 -4.822 24.321 682 H ARG 26 H ARG 26 11.221 -9.723 23.458 683 HA ARG 26 HA ARG 26 10.231 -10.218 26.248 684 1HB ARG 26 1HB ARG 26 8.944 -10.200 23.726 685 2HB ARG 26 2HB ARG 26 9.036 -11.891 24.218 686 1HG ARG 26 1HG ARG 26 8.056 -9.688 26.049 687 2HG ARG 26 2HG ARG 26 6.978 -10.652 25.040 688 1HD ARG 26 1HD ARG 26 8.921 -12.189 26.692 689 2HD ARG 26 2HD ARG 26 7.611 -11.375 27.569 690 HE ARG 26 HE ARG 26 7.278 -13.641 25.804 691 1HH1 ARG 26 1HH1 ARG 26 5.897 -10.647 26.835 692 2HH1 ARG 26 2HH1 ARG 26 4.271 -11.129 26.485 693 1HH2 ARG 26 1HH2 ARG 26 5.162 -14.281 25.352 694 2HH2 ARG 26 2HH2 ARG 26 3.856 -13.185 25.647 695 H GLU 27 H GLU 27 12.941 -10.832 25.398 696 HA GLU 27 HA GLU 27 12.850 -13.824 25.215 697 1HB GLU 27 1HB GLU 27 14.163 -11.884 23.708 698 2HB GLU 27 2HB GLU 27 15.420 -12.488 24.788 699 1HG GLU 27 1HG GLU 27 15.274 -14.665 23.961 700 2HG GLU 27 2HG GLU 27 13.623 -14.440 23.382 701 HA PRO 28 HA PRO 28 14.592 -13.799 29.251 702 1HB PRO 28 1HB PRO 28 15.581 -16.532 28.625 703 2HB PRO 28 2HB PRO 28 14.487 -15.997 29.915 704 1HG PRO 28 1HG PRO 28 13.616 -17.333 27.764 705 2HG PRO 28 2HG PRO 28 12.639 -16.106 28.583 706 1HD PRO 28 1HD PRO 28 14.061 -15.959 25.989 707 2HD PRO 28 2HD PRO 28 12.584 -15.133 26.524 708 H ARG 29 H ARG 29 16.765 -14.283 30.371 709 HA ARG 29 HA ARG 29 18.982 -13.535 28.510 710 1HB ARG 29 1HB ARG 29 20.034 -12.775 30.664 711 2HB ARG 29 2HB ARG 29 18.491 -11.990 30.330 712 1HG ARG 29 1HG ARG 29 17.456 -12.985 32.097 713 2HG ARG 29 2HG ARG 29 18.287 -14.520 31.842 714 1HD ARG 29 1HD ARG 29 20.395 -13.033 32.644 715 2HD ARG 29 2HD ARG 29 19.098 -12.195 33.519 716 HE ARG 29 HE ARG 29 20.022 -14.891 34.066 717 1HH1 ARG 29 1HH1 ARG 29 17.279 -12.794 33.960 718 2HH1 ARG 29 2HH1 ARG 29 16.395 -13.680 35.157 719 1HH2 ARG 29 1HH2 ARG 29 18.877 -16.052 35.629 720 2HH2 ARG 29 2HH2 ARG 29 17.297 -15.521 36.099 No H/Q in entry = 720 Start of MODEL 21 1 H MET 1 H MET 1 -4.960 3.162 7.490 2 HA MET 1 HA MET 1 -4.923 1.078 8.830 3 1HB MET 1 1HB MET 1 -5.750 0.654 5.939 4 2HB MET 1 2HB MET 1 -6.211 -0.405 7.273 5 1HG MET 1 1HG MET 1 -7.313 1.496 8.402 6 2HG MET 1 2HG MET 1 -6.858 2.551 7.064 7 1HE MET 1 1HE MET 1 -7.205 2.253 4.912 8 2HE MET 1 2HE MET 1 -7.825 0.781 4.171 9 3HE MET 1 3HE MET 1 -8.881 2.179 4.353 10 H ALA 2 H ALA 2 -4.637 -1.503 7.972 11 HA ALA 2 HA ALA 2 -1.700 -1.715 7.590 12 1HB ALA 2 1HB ALA 2 -3.046 -2.862 9.418 13 2HB ALA 2 2HB ALA 2 -2.033 -3.942 8.460 14 3HB ALA 2 3HB ALA 2 -3.768 -3.859 8.154 15 H ASP 3 H ASP 3 -0.783 -2.768 5.801 16 HA ASP 3 HA ASP 3 -2.387 -2.935 3.372 17 1HB ASP 3 1HB ASP 3 0.452 -3.295 4.239 18 2HB ASP 3 2HB ASP 3 -0.024 -4.004 2.695 19 H THR 4 H THR 4 -0.334 -5.409 4.966 20 HA THR 4 HA THR 4 -2.475 -7.431 4.519 21 HB THR 4 HB THR 4 -0.449 -8.854 3.581 22 HG1 THR 4 HG1 THR 4 0.799 -6.723 4.041 23 1HG2 THR 4 1HG2 THR 4 -2.575 -7.490 2.453 24 2HG2 THR 4 2HG2 THR 4 -1.193 -6.900 1.529 25 3HG2 THR 4 3HG2 THR 4 -1.528 -8.631 1.607 26 H ASP 5 H ASP 5 -2.452 -7.218 6.943 27 HA ASP 5 HA ASP 5 -1.787 -7.976 9.082 28 1HB ASP 5 1HB ASP 5 -0.579 -10.010 7.185 29 2HB ASP 5 2HB ASP 5 -0.632 -10.234 8.934 30 H THR 6 H THR 6 0.558 -9.082 10.026 31 HA THR 6 HA THR 6 2.535 -6.910 9.465 32 HB THR 6 HB THR 6 2.593 -8.842 11.777 33 HG1 THR 6 HG1 THR 6 0.678 -8.139 12.258 34 1HG2 THR 6 1HG2 THR 6 3.618 -6.107 11.127 35 2HG2 THR 6 2HG2 THR 6 3.262 -6.491 12.811 36 3HG2 THR 6 3HG2 THR 6 4.440 -7.453 11.917 37 H ALA 7 H ALA 7 2.086 -10.401 9.466 38 HA ALA 7 HA ALA 7 4.846 -11.180 9.267 39 1HB ALA 7 1HB ALA 7 2.667 -12.520 9.742 40 2HB ALA 7 2HB ALA 7 3.915 -13.305 8.774 41 3HB ALA 7 3HB ALA 7 2.505 -12.596 7.987 42 H GLU 8 H GLU 8 2.346 -10.522 6.806 43 HA GLU 8 HA GLU 8 3.838 -11.101 4.474 44 1HB GLU 8 1HB GLU 8 1.341 -10.233 5.083 45 2HB GLU 8 2HB GLU 8 2.043 -8.731 4.480 46 1HG GLU 8 1HG GLU 8 1.422 -9.570 2.448 47 2HG GLU 8 2HG GLU 8 2.934 -10.469 2.592 48 H GLN 9 H GLN 9 3.780 -8.188 6.504 49 HA GLN 9 HA GLN 9 5.250 -6.439 4.796 50 1HB GLN 9 1HB GLN 9 4.301 -6.616 7.523 51 2HB GLN 9 2HB GLN 9 5.923 -5.924 7.497 52 1HG GLN 9 1HG GLN 9 5.223 -4.240 5.876 53 2HG GLN 9 2HG GLN 9 3.621 -4.969 5.769 54 2HE2 GLN 9 2HE2 GLN 9 4.078 -2.226 6.633 55 1HE2 GLN 9 1HE2 GLN 9 3.581 -2.114 8.251 56 H VAL 10 H VAL 10 6.390 -8.721 7.311 57 HA VAL 10 HA VAL 10 9.163 -8.112 7.172 58 HB VAL 10 HB VAL 10 7.832 -10.804 7.615 59 1HG1 VAL 10 1HG1 VAL 10 10.493 -9.590 8.338 60 2HG1 VAL 10 2HG1 VAL 10 9.809 -10.898 9.305 61 3HG1 VAL 10 3HG1 VAL 10 10.160 -11.154 7.596 62 1HG2 VAL 10 1HG2 VAL 10 7.799 -8.288 9.161 63 2HG2 VAL 10 2HG2 VAL 10 6.709 -9.673 9.244 64 3HG2 VAL 10 3HG2 VAL 10 8.253 -9.713 10.095 65 H ILE 11 H ILE 11 7.257 -10.527 5.342 66 HA ILE 11 HA ILE 11 9.438 -11.536 3.776 67 HB ILE 11 HB ILE 11 6.432 -11.404 3.446 68 1HG1 ILE 11 1HG1 ILE 11 8.055 -13.893 3.828 69 2HG1 ILE 11 2HG1 ILE 11 7.802 -12.835 5.216 70 1HG2 ILE 11 1HG2 ILE 11 8.499 -12.780 1.708 71 2HG2 ILE 11 2HG2 ILE 11 6.778 -13.166 1.673 72 3HG2 ILE 11 3HG2 ILE 11 7.331 -11.558 1.206 73 1HD1 ILE 11 1HD1 ILE 11 5.343 -13.242 3.705 74 2HD1 ILE 11 2HD1 ILE 11 6.021 -14.766 4.277 75 3HD1 ILE 11 3HD1 ILE 11 5.649 -13.481 5.426 76 H ALA 12 H ALA 12 6.914 -9.103 3.016 77 HA ALA 12 HA ALA 12 7.883 -8.394 0.427 78 1HB ALA 12 1HB ALA 12 5.998 -7.465 2.447 79 2HB ALA 12 2HB ALA 12 6.766 -6.108 1.623 80 3HB ALA 12 3HB ALA 12 5.897 -7.327 0.692 81 H SER 13 H SER 13 8.660 -7.150 3.671 82 HA SER 13 HA SER 13 10.444 -5.061 2.796 83 1HB SER 13 1HB SER 13 10.232 -6.670 5.365 84 2HB SER 13 2HB SER 13 11.170 -5.189 5.192 85 HG SER 13 HG SER 13 8.473 -5.228 4.415 86 H PHE 14 H PHE 14 10.919 -8.466 3.748 87 HA PHE 14 HA PHE 14 13.800 -8.443 3.526 88 1HB PHE 14 1HB PHE 14 11.569 -10.346 3.879 89 2HB PHE 14 2HB PHE 14 12.979 -11.031 3.070 90 HD1 PHE 14 HD1 PHE 14 11.539 -10.340 6.210 91 HD2 PHE 14 HD2 PHE 14 15.315 -10.346 4.162 92 HE1 PHE 14 HE1 PHE 14 12.718 -10.487 8.386 93 HE2 PHE 14 HE2 PHE 14 16.494 -10.493 6.339 94 HZ PHE 14 HZ PHE 14 15.196 -10.564 8.450 95 H ARG 15 H ARG 15 11.175 -9.350 1.271 96 HA ARG 15 HA ARG 15 12.724 -10.304 -0.885 97 1HB ARG 15 1HB ARG 15 10.168 -10.124 -0.524 98 2HB ARG 15 2HB ARG 15 10.320 -8.487 -1.161 99 1HG ARG 15 1HG ARG 15 10.611 -9.221 -3.286 100 2HG ARG 15 2HG ARG 15 11.712 -10.504 -2.782 101 1HD ARG 15 1HD ARG 15 9.830 -11.694 -3.598 102 2HD ARG 15 2HD ARG 15 9.541 -11.649 -1.846 103 HE ARG 15 HE ARG 15 8.458 -9.272 -2.967 104 1HH1 ARG 15 1HH1 ARG 15 8.002 -12.696 -2.988 105 2HH1 ARG 15 2HH1 ARG 15 6.297 -12.595 -3.271 106 1HH2 ARG 15 1HH2 ARG 15 6.236 -9.131 -3.335 107 2HH2 ARG 15 2HH2 ARG 15 5.298 -10.580 -3.467 108 H ILE 16 H ILE 16 11.891 -6.959 0.019 109 HA ILE 16 HA ILE 16 13.059 -5.619 -2.209 110 HB ILE 16 HB ILE 16 12.570 -4.946 0.700 111 1HG1 ILE 16 1HG1 ILE 16 11.326 -3.754 -1.785 112 2HG1 ILE 16 2HG1 ILE 16 10.709 -5.242 -1.063 113 1HG2 ILE 16 1HG2 ILE 16 14.328 -3.586 -1.133 114 2HG2 ILE 16 2HG2 ILE 16 12.927 -2.567 -0.801 115 3HG2 ILE 16 3HG2 ILE 16 13.925 -3.156 0.529 116 1HD1 ILE 16 1HD1 ILE 16 10.504 -4.006 1.123 117 2HD1 ILE 16 2HD1 ILE 16 10.921 -2.525 0.262 118 3HD1 ILE 16 3HD1 ILE 16 9.443 -3.395 -0.146 119 H LEU 17 H LEU 17 14.461 -6.575 0.942 120 HA LEU 17 HA LEU 17 17.089 -5.516 0.469 121 1HB LEU 17 1HB LEU 17 16.230 -7.906 2.134 122 2HB LEU 17 2HB LEU 17 17.667 -6.914 2.384 123 HG LEU 17 HG LEU 17 14.775 -6.103 2.729 124 1HD1 LEU 17 1HD1 LEU 17 16.695 -7.130 4.484 125 2HD1 LEU 17 2HD1 LEU 17 16.702 -5.395 4.795 126 3HD1 LEU 17 3HD1 LEU 17 15.201 -6.310 4.936 127 1HD2 LEU 17 1HD2 LEU 17 17.278 -4.390 2.640 128 2HD2 LEU 17 2HD2 LEU 17 15.883 -4.280 1.566 129 3HD2 LEU 17 3HD2 LEU 17 15.725 -3.834 3.265 130 H ALA 18 H ALA 18 15.640 -8.722 -0.107 131 HA ALA 18 HA ALA 18 18.084 -9.921 -1.119 132 1HB ALA 18 1HB ALA 18 16.304 -11.613 -1.955 133 2HB ALA 18 2HB ALA 18 15.136 -10.579 -1.133 134 3HB ALA 18 3HB ALA 18 16.426 -11.355 -0.215 135 H SER 19 H SER 19 16.150 -7.523 -2.398 136 HA SER 19 HA SER 19 16.109 -6.561 -4.561 137 1HB SER 19 1HB SER 19 18.527 -7.625 -4.333 138 2HB SER 19 2HB SER 19 17.902 -8.773 -5.514 139 HG SER 19 HG SER 19 18.668 -6.188 -5.828 140 H ASP 20 H ASP 20 13.872 -7.813 -4.199 141 HA ASP 20 HA ASP 20 12.150 -9.115 -5.166 142 1HB ASP 20 1HB ASP 20 13.977 -8.491 -7.507 143 2HB ASP 20 2HB ASP 20 12.337 -9.116 -7.679 144 H LYS 21 H LYS 21 13.694 -10.838 -3.826 145 HA LYS 21 HA LYS 21 13.980 -13.150 -5.695 146 1HB LYS 21 1HB LYS 21 15.995 -11.980 -3.770 147 2HB LYS 21 2HB LYS 21 16.105 -13.656 -4.311 148 1HG LYS 21 1HG LYS 21 15.761 -12.471 -6.700 149 2HG LYS 21 2HG LYS 21 16.539 -11.140 -5.842 150 1HD LYS 21 1HD LYS 21 18.454 -12.487 -5.312 151 2HD LYS 21 2HD LYS 21 17.648 -13.957 -5.863 152 1HE LYS 21 1HE LYS 21 17.858 -13.378 -8.131 153 2HE LYS 21 2HE LYS 21 18.059 -11.651 -7.768 154 1HZ LYS 21 1HZ LYS 21 19.966 -13.805 -7.015 155 2HZ LYS 21 2HZ LYS 21 20.192 -12.694 -8.280 156 3HZ LYS 21 3HZ LYS 21 20.149 -12.155 -6.669 157 HA PRO 22 HA PRO 22 11.688 -15.093 -2.495 158 1HB PRO 22 1HB PRO 22 12.468 -17.719 -2.999 159 2HB PRO 22 2HB PRO 22 11.157 -16.872 -3.841 160 1HG PRO 22 1HG PRO 22 13.950 -17.374 -4.705 161 2HG PRO 22 2HG PRO 22 12.459 -17.322 -5.660 162 1HD PRO 22 1HD PRO 22 14.254 -15.307 -5.656 163 2HD PRO 22 2HD PRO 22 12.510 -15.035 -5.863 164 H TYR 23 H TYR 23 15.071 -15.020 -2.739 165 HA TYR 23 HA TYR 23 15.316 -15.950 0.096 166 1HB TYR 23 1HB TYR 23 17.401 -17.143 -0.614 167 2HB TYR 23 2HB TYR 23 15.951 -17.791 -1.381 168 HD1 TYR 23 HD1 TYR 23 15.743 -17.836 -3.732 169 HD2 TYR 23 HD2 TYR 23 18.772 -15.397 -1.906 170 HE1 TYR 23 HE1 TYR 23 16.711 -17.366 -5.965 171 HE2 TYR 23 HE2 TYR 23 19.740 -14.928 -4.141 172 HH TYR 23 HH TYR 23 18.709 -16.638 -6.985 173 H ILE 24 H ILE 24 17.433 -15.196 1.053 174 HA ILE 24 HA ILE 24 18.513 -12.742 -0.276 175 HB ILE 24 HB ILE 24 16.629 -12.490 1.518 176 1HG1 ILE 24 1HG1 ILE 24 18.225 -10.704 0.596 177 2HG1 ILE 24 2HG1 ILE 24 17.511 -10.382 2.172 178 1HG2 ILE 24 1HG2 ILE 24 19.034 -13.146 3.239 179 2HG2 ILE 24 2HG2 ILE 24 17.559 -12.390 3.844 180 3HG2 ILE 24 3HG2 ILE 24 17.505 -14.022 3.175 181 1HD1 ILE 24 1HD1 ILE 24 19.658 -11.501 3.130 182 2HD1 ILE 24 2HD1 ILE 24 20.327 -11.234 1.524 183 3HD1 ILE 24 3HD1 ILE 24 19.786 -9.866 2.490 184 H LEU 25 H LEU 25 20.741 -12.412 0.133 185 HA LEU 25 HA LEU 25 22.245 -14.718 1.116 186 1HB LEU 25 1HB LEU 25 22.902 -11.966 0.040 187 2HB LEU 25 2HB LEU 25 24.157 -13.092 0.558 188 HG LEU 25 HG LEU 25 22.112 -14.238 -1.247 189 1HD1 LEU 25 1HD1 LEU 25 23.900 -11.949 -2.029 190 2HD1 LEU 25 2HD1 LEU 25 23.525 -13.210 -3.204 191 3HD1 LEU 25 3HD1 LEU 25 22.225 -12.255 -2.488 192 1HD2 LEU 25 1HD2 LEU 25 25.083 -14.354 -0.799 193 2HD2 LEU 25 2HD2 LEU 25 23.905 -15.667 -0.790 194 3HD2 LEU 25 3HD2 LEU 25 24.411 -14.946 -2.318 195 H ALA 26 H ALA 26 23.619 -14.705 2.971 196 HA ALA 26 HA ALA 26 22.645 -13.294 5.281 197 1HB ALA 26 1HB ALA 26 24.594 -15.318 4.550 198 2HB ALA 26 2HB ALA 26 23.752 -15.096 6.083 199 3HB ALA 26 3HB ALA 26 25.255 -14.229 5.770 200 H GLU 27 H GLU 27 25.599 -12.876 3.295 201 HA GLU 27 HA GLU 27 26.747 -10.745 4.775 202 1HB GLU 27 1HB GLU 27 28.069 -10.462 2.791 203 2HB GLU 27 2HB GLU 27 27.685 -12.177 2.896 204 1HG GLU 27 1HG GLU 27 25.720 -11.748 1.373 205 2HG GLU 27 2HG GLU 27 26.333 -10.109 1.146 206 H GLU 28 H GLU 28 24.289 -10.751 2.201 207 HA GLU 28 HA GLU 28 24.153 -7.888 1.881 208 1HB GLU 28 1HB GLU 28 23.161 -10.061 0.595 209 2HB GLU 28 2HB GLU 28 21.730 -9.580 1.508 210 1HG GLU 28 1HG GLU 28 21.895 -7.301 0.601 211 2HG GLU 28 2HG GLU 28 23.347 -7.752 -0.291 212 H LEU 29 H LEU 29 22.602 -10.214 4.039 213 HA LEU 29 HA LEU 29 20.664 -8.435 5.200 214 1HB LEU 29 1HB LEU 29 20.258 -10.691 5.576 215 2HB LEU 29 2HB LEU 29 21.966 -11.073 5.756 216 HG LEU 29 HG LEU 29 21.987 -10.014 7.964 217 1HD1 LEU 29 1HD1 LEU 29 19.193 -9.288 7.153 218 2HD1 LEU 29 2HD1 LEU 29 19.540 -9.550 8.862 219 3HD1 LEU 29 3HD1 LEU 29 20.409 -8.304 7.967 220 1HD2 LEU 29 1HD2 LEU 29 21.232 -12.446 7.565 221 2HD2 LEU 29 2HD2 LEU 29 20.818 -11.731 9.123 222 3HD2 LEU 29 3HD2 LEU 29 19.595 -11.857 7.859 223 H ARG 30 H ARG 30 24.013 -9.318 5.994 224 HA ARG 30 HA ARG 30 24.224 -7.840 8.450 225 1HB ARG 30 1HB ARG 30 26.093 -8.906 6.340 226 2HB ARG 30 2HB ARG 30 26.733 -7.918 7.654 227 1HG ARG 30 1HG ARG 30 26.301 -9.512 9.252 228 2HG ARG 30 2HG ARG 30 24.875 -10.119 8.411 229 1HD ARG 30 1HD ARG 30 26.088 -11.743 7.393 230 2HD ARG 30 2HD ARG 30 27.294 -10.564 6.841 231 HE ARG 30 HE ARG 30 27.526 -12.214 9.214 232 1HH1 ARG 30 1HH1 ARG 30 28.181 -9.113 7.842 233 2HH1 ARG 30 2HH1 ARG 30 29.550 -8.809 8.857 234 1HH2 ARG 30 1HH2 ARG 30 29.313 -11.830 10.541 235 2HH2 ARG 30 2HH2 ARG 30 30.193 -10.346 10.381 236 H ARG 31 H ARG 31 24.637 -6.961 5.049 237 HA ARG 31 HA ARG 31 25.631 -4.263 5.655 238 1HB ARG 31 1HB ARG 31 26.247 -5.745 3.687 239 2HB ARG 31 2HB ARG 31 24.627 -5.453 3.056 240 1HG ARG 31 1HG ARG 31 25.944 -3.804 1.998 241 2HG ARG 31 2HG ARG 31 25.186 -2.942 3.338 242 1HD ARG 31 1HD ARG 31 27.512 -4.020 4.459 243 2HD ARG 31 2HD ARG 31 28.015 -3.438 2.859 244 HE ARG 31 HE ARG 31 26.256 -1.575 4.264 245 1HH1 ARG 31 1HH1 ARG 31 29.486 -2.692 3.757 246 2HH1 ARG 31 2HH1 ARG 31 30.214 -1.187 4.203 247 1HH2 ARG 31 1HH2 ARG 31 27.195 0.393 4.844 248 2HH2 ARG 31 2HH2 ARG 31 28.919 0.560 4.813 249 H GLU 32 H GLU 32 22.591 -5.733 4.504 250 HA GLU 32 HA GLU 32 21.246 -3.183 4.107 251 1HB GLU 32 1HB GLU 32 20.345 -6.067 4.330 252 2HB GLU 32 2HB GLU 32 19.264 -4.743 3.894 253 1HG GLU 32 1HG GLU 32 21.587 -4.489 2.276 254 2HG GLU 32 2HG GLU 32 21.091 -6.180 2.210 255 H LEU 33 H LEU 33 21.695 -5.328 6.845 256 HA LEU 33 HA LEU 33 19.854 -3.575 8.435 257 1HB LEU 33 1HB LEU 33 20.006 -6.480 7.999 258 2HB LEU 33 2HB LEU 33 19.913 -6.027 9.698 259 HG LEU 33 HG LEU 33 18.045 -4.905 7.600 260 1HD1 LEU 33 1HD1 LEU 33 18.124 -7.560 8.707 261 2HD1 LEU 33 2HD1 LEU 33 16.694 -6.723 9.311 262 3HD1 LEU 33 3HD1 LEU 33 16.959 -6.876 7.574 263 1HD2 LEU 33 1HD2 LEU 33 18.041 -4.996 10.630 264 2HD2 LEU 33 2HD2 LEU 33 18.162 -3.565 9.610 265 3HD2 LEU 33 3HD2 LEU 33 16.656 -4.480 9.670 266 HA PRO 34 HA PRO 34 23.229 -2.849 11.115 267 1HB PRO 34 1HB PRO 34 21.522 -3.401 13.466 268 2HB PRO 34 2HB PRO 34 22.351 -1.902 13.007 269 1HG PRO 34 1HG PRO 34 19.687 -2.195 12.831 270 2HG PRO 34 2HG PRO 34 20.617 -1.175 11.724 271 1HD PRO 34 1HD PRO 34 19.416 -3.852 11.264 272 2HD PRO 34 2HD PRO 34 19.647 -2.501 10.134 273 HA PRO 35 HA PRO 35 25.031 -6.786 11.852 274 1HB PRO 35 1HB PRO 35 26.349 -6.250 14.232 275 2HB PRO 35 2HB PRO 35 26.995 -5.875 12.622 276 1HG PRO 35 1HG PRO 35 25.670 -4.094 14.591 277 2HG PRO 35 2HG PRO 35 27.002 -3.756 13.475 278 1HD PRO 35 1HD PRO 35 24.472 -2.915 13.028 279 2HD PRO 35 2HD PRO 35 25.597 -3.325 11.714 280 H ASP 36 H ASP 36 23.490 -5.050 14.556 281 HA ASP 36 HA ASP 36 23.013 -7.312 16.239 282 1HB ASP 36 1HB ASP 36 21.779 -4.591 15.832 283 2HB ASP 36 2HB ASP 36 21.114 -5.706 17.025 284 H GLN 37 H GLN 37 21.003 -5.805 13.688 285 HA GLN 37 HA GLN 37 18.761 -7.593 14.026 286 1HB GLN 37 1HB GLN 37 19.718 -5.963 11.648 287 2HB GLN 37 2HB GLN 37 18.090 -6.611 11.856 288 1HG GLN 37 1HG GLN 37 19.465 -4.484 13.512 289 2HG GLN 37 2HG GLN 37 17.979 -4.334 12.572 290 2HE2 GLN 37 2HE2 GLN 37 16.310 -6.257 13.327 291 1HE2 GLN 37 1HE2 GLN 37 16.095 -6.334 15.009 292 H ALA 38 H ALA 38 21.581 -7.588 11.835 293 HA ALA 38 HA ALA 38 20.838 -9.879 10.287 294 1HB ALA 38 1HB ALA 38 23.629 -8.968 11.039 295 2HB ALA 38 2HB ALA 38 23.126 -9.765 9.548 296 3HB ALA 38 3HB ALA 38 22.626 -8.105 9.873 297 H GLN 39 H GLN 39 22.952 -9.588 13.168 298 HA GLN 39 HA GLN 39 23.672 -12.301 13.451 299 1HB GLN 39 1HB GLN 39 24.415 -10.185 14.712 300 2HB GLN 39 2HB GLN 39 22.989 -10.422 15.722 301 1HG GLN 39 1HG GLN 39 24.538 -11.625 16.948 302 2HG GLN 39 2HG GLN 39 23.942 -12.899 15.884 303 2HE2 GLN 39 2HE2 GLN 39 25.893 -14.107 15.654 304 1HE2 GLN 39 1HE2 GLN 39 27.303 -13.469 14.956 305 H TYR 40 H TYR 40 20.855 -10.592 14.856 306 HA TYR 40 HA TYR 40 19.706 -12.881 16.142 307 1HB TYR 40 1HB TYR 40 19.274 -10.195 16.055 308 2HB TYR 40 2HB TYR 40 17.938 -10.760 15.050 309 HD1 TYR 40 HD1 TYR 40 16.315 -12.444 15.963 310 HD2 TYR 40 HD2 TYR 40 19.294 -10.560 18.418 311 HE1 TYR 40 HE1 TYR 40 15.072 -13.130 17.997 312 HE2 TYR 40 HE2 TYR 40 18.052 -11.247 20.452 313 HH TYR 40 HH TYR 40 15.101 -11.967 20.647 314 H CYS 41 H CYS 41 19.021 -11.369 12.971 315 HA CYS 41 HA CYS 41 17.030 -13.261 12.147 316 1HB CYS 41 1HB CYS 41 18.952 -11.507 10.583 317 2HB CYS 41 2HB CYS 41 17.503 -12.260 9.917 318 HG CYS 41 HG CYS 41 17.013 -10.461 12.373 319 H ILE 42 H ILE 42 20.524 -13.036 11.354 320 HA ILE 42 HA ILE 42 20.901 -15.161 9.647 321 HB ILE 42 HB ILE 42 22.445 -14.180 12.050 322 1HG1 ILE 42 1HG1 ILE 42 22.131 -12.808 9.920 323 2HG1 ILE 42 2HG1 ILE 42 23.805 -13.096 10.396 324 1HG2 ILE 42 1HG2 ILE 42 23.153 -16.396 10.118 325 2HG2 ILE 42 2HG2 ILE 42 24.388 -15.483 10.988 326 3HG2 ILE 42 3HG2 ILE 42 23.200 -16.433 11.881 327 1HD1 ILE 42 1HD1 ILE 42 22.476 -15.058 8.564 328 2HD1 ILE 42 2HD1 ILE 42 23.034 -13.522 7.899 329 3HD1 ILE 42 3HD1 ILE 42 24.179 -14.614 8.679 330 H LYS 43 H LYS 43 20.186 -15.361 13.107 331 HA LYS 43 HA LYS 43 20.526 -18.284 13.181 332 1HB LYS 43 1HB LYS 43 20.667 -16.186 14.976 333 2HB LYS 43 2HB LYS 43 19.120 -16.931 15.382 334 1HG LYS 43 1HG LYS 43 20.089 -18.908 16.059 335 2HG LYS 43 2HG LYS 43 21.436 -18.756 14.929 336 1HD LYS 43 1HD LYS 43 21.213 -16.761 17.150 337 2HD LYS 43 2HD LYS 43 21.804 -18.379 17.531 338 1HE LYS 43 1HE LYS 43 23.025 -17.256 15.102 339 2HE LYS 43 2HE LYS 43 23.387 -16.330 16.572 340 1HZ LYS 43 1HZ LYS 43 23.504 -19.286 16.520 341 2HZ LYS 43 2HZ LYS 43 24.851 -18.338 16.103 342 3HZ LYS 43 3HZ LYS 43 24.185 -18.224 17.658 343 H ARG 44 H ARG 44 17.860 -15.929 13.147 344 HA ARG 44 HA ARG 44 15.727 -17.800 13.580 345 1HB ARG 44 1HB ARG 44 16.103 -15.025 12.531 346 2HB ARG 44 2HB ARG 44 14.550 -15.808 12.232 347 1HG ARG 44 1HG ARG 44 15.785 -15.791 14.985 348 2HG ARG 44 2HG ARG 44 14.796 -14.445 14.418 349 1HD ARG 44 1HD ARG 44 12.874 -15.626 14.694 350 2HD ARG 44 2HD ARG 44 13.556 -17.056 13.894 351 HE ARG 44 HE ARG 44 14.218 -17.868 16.016 352 1HH1 ARG 44 1HH1 ARG 44 13.445 -14.502 16.099 353 2HH1 ARG 44 2HH1 ARG 44 13.569 -14.386 17.822 354 1HH2 ARG 44 1HH2 ARG 44 14.377 -17.727 18.264 355 2HH2 ARG 44 2HH2 ARG 44 14.093 -16.208 19.047 356 H MET 45 H MET 45 16.203 -16.060 10.500 357 HA MET 45 HA MET 45 14.853 -17.899 8.864 358 1HB MET 45 1HB MET 45 16.347 -16.836 7.075 359 2HB MET 45 2HB MET 45 15.425 -15.718 8.075 360 1HG MET 45 1HG MET 45 17.333 -15.162 9.387 361 2HG MET 45 2HG MET 45 18.260 -16.521 8.756 362 1HE MET 45 1HE MET 45 16.013 -13.771 7.739 363 2HE MET 45 2HE MET 45 16.775 -12.913 6.402 364 3HE MET 45 3HE MET 45 16.004 -14.481 6.126 365 HA PRO 46 HA PRO 46 17.882 -21.186 9.353 366 1HB PRO 46 1HB PRO 46 15.894 -22.782 7.869 367 2HB PRO 46 2HB PRO 46 16.578 -23.060 9.482 368 1HG PRO 46 1HG PRO 46 14.036 -22.268 9.098 369 2HG PRO 46 2HG PRO 46 14.983 -21.811 10.522 370 1HD PRO 46 1HD PRO 46 14.273 -20.194 8.128 371 2HD PRO 46 2HD PRO 46 14.446 -19.696 9.825 372 H ALA 47 H ALA 47 17.626 -23.169 7.138 373 HA ALA 47 HA ALA 47 19.220 -21.720 5.140 374 1HB ALA 47 1HB ALA 47 19.089 -24.286 6.181 375 2HB ALA 47 2HB ALA 47 18.390 -24.478 4.573 376 3HB ALA 47 3HB ALA 47 20.014 -23.815 4.756 377 H TYR 48 H TYR 48 18.622 -21.536 2.900 378 HA TYR 48 HA TYR 48 15.839 -20.973 2.397 379 1HB TYR 48 1HB TYR 48 16.651 -20.268 0.295 380 2HB TYR 48 2HB TYR 48 18.043 -20.056 1.353 381 HD1 TYR 48 HD1 TYR 48 17.849 -20.589 -1.769 382 HD2 TYR 48 HD2 TYR 48 18.698 -23.058 1.644 383 HE1 TYR 48 HE1 TYR 48 19.168 -22.122 -3.203 384 HE2 TYR 48 HE2 TYR 48 20.015 -24.588 0.210 385 HH TYR 48 HH TYR 48 19.811 -24.961 -2.753 386 H SER 49 H SER 49 14.758 -22.036 0.372 387 HA SER 49 HA SER 49 15.408 -24.814 -0.212 388 1HB SER 49 1HB SER 49 13.223 -25.598 0.919 389 2HB SER 49 2HB SER 49 14.580 -25.228 1.978 390 HG SER 49 HG SER 49 12.565 -23.363 1.262 391 H GLY 50 H GLY 50 14.886 -22.572 -1.860 392 1HA GLY 50 1HA GLY 50 13.082 -21.635 -3.235 393 2HA GLY 50 2HA GLY 50 12.133 -23.083 -2.895 394 HA PRO 51 HA PRO 51 13.941 -24.858 -6.455 395 1HB PRO 51 1HB PRO 51 12.048 -24.199 -8.388 396 2HB PRO 51 2HB PRO 51 11.885 -25.521 -7.217 397 1HG PRO 51 1HG PRO 51 10.703 -22.804 -7.177 398 2HG PRO 51 2HG PRO 51 10.037 -24.339 -6.600 399 1HD PRO 51 1HD PRO 51 11.023 -22.452 -4.934 400 2HD PRO 51 2HD PRO 51 11.094 -24.190 -4.571 401 H GLY 52 H GLY 52 15.616 -24.173 -7.736 402 1HA GLY 52 1HA GLY 52 15.319 -21.643 -9.263 403 2HA GLY 52 2HA GLY 52 16.541 -22.881 -9.558 404 H SER 53 H SER 53 15.996 -21.994 -6.265 405 HA SER 53 HA SER 53 17.577 -19.753 -5.887 406 1HB SER 53 1HB SER 53 17.479 -22.173 -4.088 407 2HB SER 53 2HB SER 53 17.657 -20.488 -3.609 408 HG SER 53 HG SER 53 15.512 -21.167 -3.348 409 H VAL 54 H VAL 54 19.677 -20.442 -4.213 410 HA VAL 54 HA VAL 54 21.493 -22.234 -5.739 411 HB VAL 54 HB VAL 54 23.172 -20.307 -5.745 412 1HG1 VAL 54 1HG1 VAL 54 21.344 -21.065 -7.594 413 2HG1 VAL 54 2HG1 VAL 54 20.853 -19.388 -7.357 414 3HG1 VAL 54 3HG1 VAL 54 22.500 -19.761 -7.865 415 1HG2 VAL 54 1HG2 VAL 54 21.753 -19.031 -4.010 416 2HG2 VAL 54 2HG2 VAL 54 22.401 -18.091 -5.355 417 3HG2 VAL 54 3HG2 VAL 54 20.711 -18.594 -5.363 418 HA PRO 55 HA PRO 55 23.118 -23.000 -1.754 419 1HB PRO 55 1HB PRO 55 25.835 -23.232 -2.228 420 2HB PRO 55 2HB PRO 55 24.648 -24.502 -2.580 421 1HG PRO 55 1HG PRO 55 25.926 -22.546 -4.411 422 2HG PRO 55 2HG PRO 55 25.479 -24.236 -4.692 423 1HD PRO 55 1HD PRO 55 24.031 -22.158 -5.644 424 2HD PRO 55 2HD PRO 55 23.305 -23.717 -5.202 425 H GLY 56 H GLY 56 23.281 -21.468 -0.164 426 1HA GLY 56 1HA GLY 56 25.163 -19.185 -0.616 427 2HA GLY 56 2HA GLY 56 24.918 -19.924 0.967 428 H ALA 57 H ALA 57 22.012 -19.841 -0.735 429 HA ALA 57 HA ALA 57 21.264 -17.093 0.047 430 1HB ALA 57 1HB ALA 57 19.009 -18.275 -0.901 431 2HB ALA 57 2HB ALA 57 20.251 -17.593 -1.952 432 3HB ALA 57 3HB ALA 57 20.231 -19.325 -1.619 433 H LEU 58 H LEU 58 19.413 -16.700 1.469 434 HA LEU 58 HA LEU 58 18.851 -18.943 3.383 435 1HB LEU 58 1HB LEU 58 19.399 -15.999 3.879 436 2HB LEU 58 2HB LEU 58 18.859 -17.124 5.126 437 HG LEU 58 HG LEU 58 21.352 -17.553 3.459 438 1HD1 LEU 58 1HD1 LEU 58 21.098 -15.523 5.232 439 2HD1 LEU 58 2HD1 LEU 58 21.539 -16.828 6.335 440 3HD1 LEU 58 3HD1 LEU 58 22.607 -16.407 4.997 441 1HD2 LEU 58 1HD2 LEU 58 20.010 -18.939 5.761 442 2HD2 LEU 58 2HD2 LEU 58 20.771 -19.636 4.330 443 3HD2 LEU 58 3HD2 LEU 58 21.769 -18.999 5.636 444 H ASP 59 H ASP 59 16.730 -18.705 4.486 445 HA ASP 59 HA ASP 59 14.770 -17.217 2.776 446 1HB ASP 59 1HB ASP 59 14.893 -19.864 4.099 447 2HB ASP 59 2HB ASP 59 13.331 -19.051 4.200 448 H TYR 60 H TYR 60 14.209 -15.327 3.793 449 HA TYR 60 HA TYR 60 14.276 -15.057 6.721 450 1HB TYR 60 1HB TYR 60 13.396 -12.751 6.083 451 2HB TYR 60 2HB TYR 60 14.931 -13.185 5.336 452 HD1 TYR 60 HD1 TYR 60 15.168 -13.195 2.999 453 HD2 TYR 60 HD2 TYR 60 11.239 -13.212 4.735 454 HE1 TYR 60 HE1 TYR 60 14.175 -12.883 0.749 455 HE2 TYR 60 HE2 TYR 60 10.244 -12.899 2.483 456 HH TYR 60 HH TYR 60 12.156 -13.142 -0.419 457 H ALA 61 H ALA 61 11.953 -15.911 4.284 458 HA ALA 61 HA ALA 61 9.507 -15.088 5.439 459 1HB ALA 61 1HB ALA 61 10.042 -17.742 4.080 460 2HB ALA 61 2HB ALA 61 8.566 -16.779 4.018 461 3HB ALA 61 3HB ALA 61 10.022 -16.216 3.198 462 H ALA 62 H ALA 62 11.568 -17.888 6.180 463 HA ALA 62 HA ALA 62 9.758 -19.226 7.947 464 1HB ALA 62 1HB ALA 62 12.671 -19.302 8.498 465 2HB ALA 62 2HB ALA 62 12.198 -19.706 6.848 466 3HB ALA 62 3HB ALA 62 11.554 -20.634 8.203 467 H PHE 63 H PHE 63 12.074 -16.630 8.410 468 HA PHE 63 HA PHE 63 11.920 -16.555 11.303 469 1HB PHE 63 1HB PHE 63 13.808 -15.655 10.054 470 2HB PHE 63 2HB PHE 63 12.747 -14.550 9.180 471 HD1 PHE 63 HD1 PHE 63 13.894 -12.528 9.925 472 HD2 PHE 63 HD2 PHE 63 12.269 -15.326 12.748 473 HE1 PHE 63 HE1 PHE 63 14.149 -10.850 11.734 474 HE2 PHE 63 HE2 PHE 63 12.523 -13.649 14.557 475 HZ PHE 63 HZ PHE 63 13.463 -11.412 14.050 476 H SER 64 H SER 64 10.127 -15.012 8.671 477 HA SER 64 HA SER 64 8.732 -13.083 10.319 478 1HB SER 64 1HB SER 64 7.653 -14.220 7.759 479 2HB SER 64 2HB SER 64 7.692 -12.544 8.299 480 HG SER 64 HG SER 64 9.260 -13.270 6.612 481 H SER 65 H SER 65 7.750 -16.235 8.916 482 HA SER 65 HA SER 65 5.141 -16.304 10.091 483 1HB SER 65 1HB SER 65 7.057 -18.503 9.252 484 2HB SER 65 2HB SER 65 5.334 -18.729 9.540 485 HG SER 65 HG SER 65 5.527 -18.350 7.388 486 H ALA 66 H ALA 66 8.277 -17.593 11.217 487 HA ALA 66 HA ALA 66 7.222 -18.823 13.611 488 1HB ALA 66 1HB ALA 66 9.839 -18.433 14.133 489 2HB ALA 66 2HB ALA 66 9.278 -19.677 13.017 490 3HB ALA 66 3HB ALA 66 9.854 -18.131 12.396 491 H LEU 67 H LEU 67 8.350 -15.585 12.811 492 HA LEU 67 HA LEU 67 8.824 -14.581 15.437 493 1HB LEU 67 1HB LEU 67 8.199 -13.545 12.717 494 2HB LEU 67 2HB LEU 67 7.950 -12.424 14.057 495 HG LEU 67 HG LEU 67 10.504 -14.009 13.717 496 1HD1 LEU 67 1HD1 LEU 67 9.533 -11.797 12.145 497 2HD1 LEU 67 2HD1 LEU 67 10.919 -11.275 13.100 498 3HD1 LEU 67 3HD1 LEU 67 11.069 -12.654 12.011 499 1HD2 LEU 67 1HD2 LEU 67 9.725 -11.539 15.301 500 2HD2 LEU 67 2HD2 LEU 67 10.116 -13.130 15.957 501 3HD2 LEU 67 3HD2 LEU 67 11.370 -12.163 15.180 502 H TYR 68 H TYR 68 5.833 -14.690 13.484 503 HA TYR 68 HA TYR 68 4.287 -13.622 15.794 504 1HB TYR 68 1HB TYR 68 3.916 -13.964 12.837 505 2HB TYR 68 2HB TYR 68 2.483 -13.832 13.857 506 HD1 TYR 68 HD1 TYR 68 5.147 -12.041 12.239 507 HD2 TYR 68 HD2 TYR 68 2.341 -11.849 15.485 508 HE1 TYR 68 HE1 TYR 68 5.462 -9.585 12.365 509 HE2 TYR 68 HE2 TYR 68 2.655 -9.393 15.611 510 HH TYR 68 HH TYR 68 5.185 -7.791 14.227 511 H GLY 69 H GLY 69 5.362 -16.584 14.872 512 1HA GLY 69 1HA GLY 69 3.441 -18.454 14.588 513 2HA GLY 69 2HA GLY 69 3.128 -17.938 16.247 514 H GLU 70 H GLU 70 3.915 -19.602 17.486 515 HA GLU 70 HA GLU 70 6.750 -20.455 16.987 516 1HB GLU 70 1HB GLU 70 6.827 -20.734 19.457 517 2HB GLU 70 2HB GLU 70 6.406 -19.081 19.003 518 1HG GLU 70 1HG GLU 70 4.144 -19.364 19.576 519 2HG GLU 70 2HG GLU 70 4.249 -21.124 19.497 520 H SER 71 H SER 71 7.180 -22.690 17.109 521 HA SER 71 HA SER 71 5.198 -24.611 18.057 522 1HB SER 71 1HB SER 71 4.776 -25.552 15.780 523 2HB SER 71 2HB SER 71 4.183 -23.902 15.943 524 HG SER 71 HG SER 71 5.364 -23.642 14.203 525 H ASP 72 H ASP 72 6.024 -26.851 16.636 526 HA ASP 72 HA ASP 72 8.894 -27.044 17.444 527 1HB ASP 72 1HB ASP 72 8.397 -29.432 17.620 528 2HB ASP 72 2HB ASP 72 7.146 -28.521 18.468 529 H LEU 73 H LEU 73 10.292 -26.844 15.737 530 HA LEU 73 HA LEU 73 9.789 -28.413 13.275 531 1HB LEU 73 1HB LEU 73 8.750 -26.013 13.243 532 2HB LEU 73 2HB LEU 73 10.419 -25.474 13.055 533 HG LEU 73 HG LEU 73 10.572 -27.187 11.138 534 1HD1 LEU 73 1HD1 LEU 73 8.288 -28.181 11.948 535 2HD1 LEU 73 2HD1 LEU 73 7.583 -26.858 11.019 536 3HD1 LEU 73 3HD1 LEU 73 8.599 -28.055 10.217 537 1HD2 LEU 73 1HD2 LEU 73 10.345 -24.648 10.953 538 2HD2 LEU 73 2HD2 LEU 73 9.791 -25.569 9.554 539 3HD2 LEU 73 3HD2 LEU 73 8.620 -24.914 10.699 540 H GLY 7 H GLY 7 14.346 6.742 0.465 541 1HA GLY 7 1HA GLY 7 11.816 6.806 0.477 542 2HA GLY 7 2HA GLY 7 12.441 6.248 2.030 543 H LYS 8 H LYS 8 13.045 4.082 -0.534 544 HA LYS 8 HA LYS 8 10.546 2.536 0.005 545 1HB LYS 8 1HB LYS 8 11.563 3.262 -2.322 546 2HB LYS 8 2HB LYS 8 12.613 1.867 -2.070 547 1HG LYS 8 1HG LYS 8 9.814 1.272 -1.470 548 2HG LYS 8 2HG LYS 8 10.047 1.793 -3.139 549 1HD LYS 8 1HD LYS 8 12.079 0.136 -3.091 550 2HD LYS 8 2HD LYS 8 11.229 -0.576 -1.718 551 1HE LYS 8 1HE LYS 8 9.992 -0.117 -4.459 552 2HE LYS 8 2HE LYS 8 10.581 -1.679 -3.855 553 1HZ LYS 8 1HZ LYS 8 9.112 -1.436 -1.935 554 2HZ LYS 8 2HZ LYS 8 8.510 0.021 -2.567 555 3HZ LYS 8 3HZ LYS 8 8.227 -1.438 -3.385 556 H LYS 9 H LYS 9 13.962 1.680 -0.690 557 HA LYS 9 HA LYS 9 13.874 -0.848 0.633 558 1HB LYS 9 1HB LYS 9 15.550 0.280 -1.046 559 2HB LYS 9 2HB LYS 9 16.350 0.851 0.419 560 1HG LYS 9 1HG LYS 9 16.152 -1.654 1.179 561 2HG LYS 9 2HG LYS 9 15.966 -1.969 -0.547 562 1HD LYS 9 1HD LYS 9 18.275 -2.101 -0.338 563 2HD LYS 9 2HD LYS 9 18.082 -0.395 -0.741 564 1HE LYS 9 1HE LYS 9 17.767 -0.550 2.066 565 2HE LYS 9 2HE LYS 9 19.177 -1.553 1.670 566 1HZ LYS 9 1HZ LYS 9 19.934 0.274 0.200 567 2HZ LYS 9 2HZ LYS 9 18.677 1.244 0.804 568 3HZ LYS 9 3HZ LYS 9 19.904 0.706 1.842 569 H ALA 10 H ALA 10 15.001 2.352 1.778 570 HA ALA 10 HA ALA 10 15.944 1.609 4.334 571 1HB ALA 10 1HB ALA 10 15.204 4.019 4.870 572 2HB ALA 10 2HB ALA 10 16.292 3.818 3.497 573 3HB ALA 10 3HB ALA 10 14.566 4.064 3.226 574 H GLU 11 H GLU 11 12.627 2.302 3.246 575 HA GLU 11 HA GLU 11 11.375 2.195 5.827 576 1HB GLU 11 1HB GLU 11 10.381 3.158 3.783 577 2HB GLU 11 2HB GLU 11 10.342 1.555 3.045 578 1HG GLU 11 1HG GLU 11 8.143 2.186 4.016 579 2HG GLU 11 2HG GLU 11 8.822 0.755 4.787 580 H ALA 12 H ALA 12 12.037 -0.301 3.367 581 HA ALA 12 HA ALA 12 10.620 -2.450 4.607 582 1HB ALA 12 1HB ALA 12 13.190 -2.590 3.004 583 2HB ALA 12 2HB ALA 12 11.620 -2.263 2.271 584 3HB ALA 12 3HB ALA 12 11.911 -3.802 3.083 585 H VAL 13 H VAL 13 13.927 -1.219 5.053 586 HA VAL 13 HA VAL 13 14.874 -3.328 6.755 587 HB VAL 13 HB VAL 13 15.599 -0.381 6.625 588 1HG1 VAL 13 1HG1 VAL 13 16.428 -2.015 8.544 589 2HG1 VAL 13 2HG1 VAL 13 17.519 -2.585 7.280 590 3HG1 VAL 13 3HG1 VAL 13 17.549 -0.892 7.774 591 1HG2 VAL 13 1HG2 VAL 13 15.616 -1.896 4.477 592 2HG2 VAL 13 2HG2 VAL 13 17.018 -0.884 4.830 593 3HG2 VAL 13 3HG2 VAL 13 17.053 -2.605 5.216 594 H ALA 14 H ALA 14 13.233 -0.238 7.431 595 HA ALA 14 HA ALA 14 13.391 -0.297 10.275 596 1HB ALA 14 1HB ALA 14 12.720 1.643 8.924 597 2HB ALA 14 2HB ALA 14 11.277 0.787 8.382 598 3HB ALA 14 3HB ALA 14 11.443 1.251 10.075 599 H THR 15 H THR 15 11.115 -1.816 8.015 600 HA THR 15 HA THR 15 9.208 -2.701 9.985 601 HB THR 15 HB THR 15 9.937 -3.864 7.276 602 HG1 THR 15 HG1 THR 15 8.037 -2.416 6.775 603 1HG2 THR 15 1HG2 THR 15 7.852 -4.409 9.250 604 2HG2 THR 15 2HG2 THR 15 7.190 -3.997 7.667 605 3HG2 THR 15 3HG2 THR 15 8.322 -5.341 7.828 606 H VAL 16 H VAL 16 12.026 -4.291 8.456 607 HA VAL 16 HA VAL 16 11.702 -6.827 9.775 608 HB VAL 16 HB VAL 16 14.104 -5.377 8.617 609 1HG1 VAL 16 1HG1 VAL 16 13.721 -8.291 9.367 610 2HG1 VAL 16 2HG1 VAL 16 15.084 -7.665 8.440 611 3HG1 VAL 16 3HG1 VAL 16 14.849 -7.158 10.112 612 1HG2 VAL 16 1HG2 VAL 16 12.012 -5.964 7.185 613 2HG2 VAL 16 2HG2 VAL 16 13.593 -6.457 6.583 614 3HG2 VAL 16 3HG2 VAL 16 12.543 -7.636 7.368 615 H VAL 17 H VAL 17 13.619 -3.922 10.574 616 HA VAL 17 HA VAL 17 14.930 -4.972 12.890 617 HB VAL 17 HB VAL 17 14.090 -2.191 12.021 618 1HG1 VAL 17 1HG1 VAL 17 14.473 -2.355 14.496 619 2HG1 VAL 17 2HG1 VAL 17 16.097 -2.957 14.162 620 3HG1 VAL 17 3HG1 VAL 17 15.645 -1.323 13.675 621 1HG2 VAL 17 1HG2 VAL 17 16.405 -3.998 11.540 622 2HG2 VAL 17 2HG2 VAL 17 15.693 -2.779 10.484 623 3HG2 VAL 17 3HG2 VAL 17 16.777 -2.292 11.787 624 H ALA 18 H ALA 18 11.918 -3.052 12.578 625 HA ALA 18 HA ALA 18 11.279 -2.941 15.355 626 1HB ALA 18 1HB ALA 18 10.318 -1.830 13.135 627 2HB ALA 18 2HB ALA 18 9.169 -3.163 13.239 628 3HB ALA 18 3HB ALA 18 9.301 -2.007 14.564 629 H ALA 19 H ALA 19 10.442 -5.343 12.852 630 HA ALA 19 HA ALA 19 8.712 -6.948 14.487 631 1HB ALA 19 1HB ALA 19 8.758 -7.064 12.055 632 2HB ALA 19 2HB ALA 19 10.454 -7.548 12.075 633 3HB ALA 19 3HB ALA 19 9.217 -8.643 12.695 634 H VAL 20 H VAL 20 12.223 -7.020 13.902 635 HA VAL 20 HA VAL 20 12.743 -9.477 15.313 636 HB VAL 20 HB VAL 20 14.389 -7.031 14.610 637 1HG1 VAL 20 1HG1 VAL 20 15.083 -9.526 16.099 638 2HG1 VAL 20 2HG1 VAL 20 16.255 -8.917 14.930 639 3HG1 VAL 20 3HG1 VAL 20 15.738 -7.897 16.273 640 1HG2 VAL 20 1HG2 VAL 20 13.318 -8.900 12.963 641 2HG2 VAL 20 2HG2 VAL 20 14.861 -8.106 12.641 642 3HG2 VAL 20 3HG2 VAL 20 14.830 -9.703 13.388 643 H ASP 21 H ASP 21 12.869 -6.047 16.314 644 HA ASP 21 HA ASP 21 13.805 -6.476 18.977 645 1HB ASP 21 1HB ASP 21 13.559 -4.338 17.553 646 2HB ASP 21 2HB ASP 21 11.877 -4.325 18.085 647 H GLN 22 H GLN 22 10.535 -6.533 17.588 648 HA GLN 22 HA GLN 22 9.029 -6.568 20.002 649 1HB GLN 22 1HB GLN 22 8.437 -6.455 17.426 650 2HB GLN 22 2HB GLN 22 8.275 -8.203 17.599 651 1HG GLN 22 1HG GLN 22 6.505 -8.024 19.118 652 2HG GLN 22 2HG GLN 22 6.939 -6.376 19.577 653 2HE2 GLN 22 2HE2 GLN 22 4.288 -6.826 18.835 654 1HE2 GLN 22 1HE2 GLN 22 3.987 -6.145 17.309 655 H ALA 23 H ALA 23 10.242 -9.321 18.047 656 HA ALA 23 HA ALA 23 9.323 -11.377 19.812 657 1HB ALA 23 1HB ALA 23 9.908 -12.049 17.651 658 2HB ALA 23 2HB ALA 23 11.321 -12.575 18.567 659 3HB ALA 23 3HB ALA 23 11.378 -11.074 17.642 660 H ARG 24 H ARG 24 12.321 -9.473 19.722 661 HA ARG 24 HA ARG 24 13.739 -11.024 21.710 662 1HB ARG 24 1HB ARG 24 14.626 -9.378 19.969 663 2HB ARG 24 2HB ARG 24 14.055 -8.089 21.029 664 1HG ARG 24 1HG ARG 24 15.715 -10.224 22.281 665 2HG ARG 24 2HG ARG 24 16.543 -9.088 21.214 666 1HD ARG 24 1HD ARG 24 15.120 -7.305 22.618 667 2HD ARG 24 2HD ARG 24 15.216 -8.583 23.845 668 HE ARG 24 HE ARG 24 17.467 -7.016 22.843 669 1HH1 ARG 24 1HH1 ARG 24 16.402 -10.030 24.153 670 2HH1 ARG 24 2HH1 ARG 24 17.942 -10.420 24.842 671 1HH2 ARG 24 1HH2 ARG 24 19.478 -7.515 23.738 672 2HH2 ARG 24 2HH2 ARG 24 19.681 -8.999 24.609 673 H VAL 25 H VAL 25 11.719 -8.081 21.870 674 HA VAL 25 HA VAL 25 12.077 -7.765 24.750 675 HB VAL 25 HB VAL 25 10.106 -6.593 22.763 676 1HG1 VAL 25 1HG1 VAL 25 10.247 -6.414 25.617 677 2HG1 VAL 25 2HG1 VAL 25 10.705 -4.850 24.942 678 3HG1 VAL 25 3HG1 VAL 25 9.151 -5.569 24.522 679 1HG2 VAL 25 1HG2 VAL 25 12.858 -6.298 22.858 680 2HG2 VAL 25 2HG2 VAL 25 11.735 -5.144 22.137 681 3HG2 VAL 25 3HG2 VAL 25 12.284 -4.919 23.797 682 H ARG 26 H ARG 26 9.932 -9.530 22.680 683 HA ARG 26 HA ARG 26 8.024 -10.856 23.142 684 1HB ARG 26 1HB ARG 26 10.167 -11.360 24.883 685 2HB ARG 26 2HB ARG 26 8.745 -11.309 25.926 686 1HG ARG 26 1HG ARG 26 8.469 -12.803 23.367 687 2HG ARG 26 2HG ARG 26 9.485 -13.537 24.608 688 1HD ARG 26 1HD ARG 26 7.701 -13.667 26.163 689 2HD ARG 26 2HD ARG 26 6.720 -12.493 25.263 690 HE ARG 26 HE ARG 26 7.428 -14.850 23.689 691 1HH1 ARG 26 1HH1 ARG 26 5.240 -13.433 25.956 692 2HH1 ARG 26 2HH1 ARG 26 3.910 -14.445 25.500 693 1HH2 ARG 26 1HH2 ARG 26 5.702 -16.174 23.087 694 2HH2 ARG 26 2HH2 ARG 26 4.172 -15.996 23.881 695 H GLU 27 H GLU 27 7.720 -7.968 23.651 696 HA GLU 27 HA GLU 27 5.866 -8.004 26.007 697 1HB GLU 27 1HB GLU 27 7.841 -6.454 25.999 698 2HB GLU 27 2HB GLU 27 7.175 -5.678 24.562 699 1HG GLU 27 1HG GLU 27 5.563 -4.587 25.744 700 2HG GLU 27 2HG GLU 27 5.276 -5.964 26.808 701 HA PRO 28 HA PRO 28 2.741 -7.379 22.945 702 1HB PRO 28 1HB PRO 28 0.936 -6.987 25.271 703 2HB PRO 28 2HB PRO 28 0.847 -8.185 23.966 704 1HG PRO 28 1HG PRO 28 1.599 -8.839 26.449 705 2HG PRO 28 2HG PRO 28 2.264 -9.636 25.015 706 1HD PRO 28 1HD PRO 28 3.518 -7.629 26.806 707 2HD PRO 28 2HD PRO 28 4.260 -8.961 25.894 708 H ARG 29 H ARG 29 1.908 -5.387 25.805 709 HA ARG 29 HA ARG 29 0.842 -3.184 24.393 710 1HB ARG 29 1HB ARG 29 1.512 -1.978 26.571 711 2HB ARG 29 2HB ARG 29 0.497 -3.412 26.743 712 1HG ARG 29 1HG ARG 29 3.291 -4.163 26.687 713 2HG ARG 29 2HG ARG 29 3.004 -2.961 27.947 714 1HD ARG 29 1HD ARG 29 0.818 -4.718 28.134 715 2HD ARG 29 2HD ARG 29 2.235 -5.762 27.905 716 HE ARG 29 HE ARG 29 3.054 -3.801 29.725 717 1HH1 ARG 29 1HH1 ARG 29 0.580 -6.200 29.489 718 2HH1 ARG 29 2HH1 ARG 29 0.504 -6.474 31.197 719 1HH2 ARG 29 1HH2 ARG 29 2.963 -4.151 31.955 720 2HH2 ARG 29 2HH2 ARG 29 1.850 -5.314 32.592 No H/Q in entry = 720 Start of MODEL 22 1 H MET 1 H MET 1 -5.380 -2.740 -3.716 2 HA MET 1 HA MET 1 -3.718 -1.093 -2.389 3 1HB MET 1 1HB MET 1 -5.682 0.388 -2.001 4 2HB MET 1 2HB MET 1 -5.752 -0.389 -3.582 5 1HG MET 1 1HG MET 1 -7.011 -2.211 -1.892 6 2HG MET 1 2HG MET 1 -7.574 -0.642 -1.318 7 1HE MET 1 1HE MET 1 -8.974 -2.936 -2.273 8 2HE MET 1 2HE MET 1 -10.332 -1.903 -2.711 9 3HE MET 1 3HE MET 1 -9.638 -2.988 -3.911 10 H ALA 2 H ALA 2 -3.835 -3.525 -0.783 11 HA ALA 2 HA ALA 2 -4.382 -2.280 1.879 12 1HB ALA 2 1HB ALA 2 -6.237 -3.593 1.939 13 2HB ALA 2 2HB ALA 2 -5.117 -4.936 2.165 14 3HB ALA 2 3HB ALA 2 -5.705 -4.540 0.551 15 H ASP 3 H ASP 3 -2.213 -2.186 2.523 16 HA ASP 3 HA ASP 3 -0.694 -4.778 2.486 17 1HB ASP 3 1HB ASP 3 -0.067 -2.623 1.051 18 2HB ASP 3 2HB ASP 3 0.642 -2.099 2.579 19 H THR 4 H THR 4 -2.500 -3.547 4.594 20 HA THR 4 HA THR 4 -0.603 -2.777 6.734 21 HB THR 4 HB THR 4 -2.911 -2.673 7.959 22 HG1 THR 4 HG1 THR 4 -3.825 -3.973 6.159 23 1HG2 THR 4 1HG2 THR 4 -1.853 -0.952 5.763 24 2HG2 THR 4 2HG2 THR 4 -3.467 -0.595 6.377 25 3HG2 THR 4 3HG2 THR 4 -2.084 -0.579 7.471 26 H ASP 5 H ASP 5 0.444 -4.981 6.740 27 HA ASP 5 HA ASP 5 -1.155 -6.891 8.409 28 1HB ASP 5 1HB ASP 5 -0.521 -7.230 5.759 29 2HB ASP 5 2HB ASP 5 0.842 -8.024 6.548 30 H THR 6 H THR 6 0.524 -8.622 9.311 31 HA THR 6 HA THR 6 2.842 -7.072 10.407 32 HB THR 6 HB THR 6 2.452 -9.376 11.927 33 HG1 THR 6 HG1 THR 6 -0.057 -8.263 11.226 34 1HG2 THR 6 1HG2 THR 6 2.681 -6.782 12.433 35 2HG2 THR 6 2HG2 THR 6 0.927 -6.888 12.580 36 3HG2 THR 6 3HG2 THR 6 1.959 -7.873 13.615 37 H ALA 7 H ALA 7 2.108 -10.544 9.889 38 HA ALA 7 HA ALA 7 4.847 -11.307 9.510 39 1HB ALA 7 1HB ALA 7 2.294 -12.480 9.728 40 2HB ALA 7 2HB ALA 7 2.914 -13.007 8.162 41 3HB ALA 7 3HB ALA 7 3.836 -13.330 9.630 42 H GLU 8 H GLU 8 2.203 -10.742 7.169 43 HA GLU 8 HA GLU 8 3.596 -11.275 4.775 44 1HB GLU 8 1HB GLU 8 1.111 -10.567 5.420 45 2HB GLU 8 2HB GLU 8 1.699 -8.963 4.979 46 1HG GLU 8 1HG GLU 8 1.642 -9.463 2.782 47 2HG GLU 8 2HG GLU 8 2.544 -10.957 3.041 48 H GLN 9 H GLN 9 3.565 -8.352 6.791 49 HA GLN 9 HA GLN 9 4.915 -6.584 5.006 50 1HB GLN 9 1HB GLN 9 3.766 -6.426 7.442 51 2HB GLN 9 2HB GLN 9 5.461 -6.471 7.934 52 1HG GLN 9 1HG GLN 9 5.664 -4.301 7.384 53 2HG GLN 9 2HG GLN 9 5.267 -4.699 5.712 54 2HE2 GLN 9 2HE2 GLN 9 2.868 -4.771 5.178 55 1HE2 GLN 9 1HE2 GLN 9 1.817 -3.759 6.044 56 H VAL 10 H VAL 10 6.215 -8.798 7.503 57 HA VAL 10 HA VAL 10 8.961 -8.130 7.249 58 HB VAL 10 HB VAL 10 7.545 -10.746 7.858 59 1HG1 VAL 10 1HG1 VAL 10 10.428 -9.906 8.015 60 2HG1 VAL 10 2HG1 VAL 10 9.789 -11.058 9.187 61 3HG1 VAL 10 3HG1 VAL 10 9.744 -11.436 7.466 62 1HG2 VAL 10 1HG2 VAL 10 8.352 -8.326 9.444 63 2HG2 VAL 10 2HG2 VAL 10 6.859 -9.262 9.522 64 3HG2 VAL 10 3HG2 VAL 10 8.340 -9.902 10.236 65 H ILE 11 H ILE 11 6.988 -10.473 5.422 66 HA ILE 11 HA ILE 11 9.100 -11.580 3.838 67 HB ILE 11 HB ILE 11 6.121 -11.194 3.407 68 1HG1 ILE 11 1HG1 ILE 11 7.783 -13.590 4.257 69 2HG1 ILE 11 2HG1 ILE 11 6.784 -12.608 5.328 70 1HG2 ILE 11 1HG2 ILE 11 8.226 -12.276 1.646 71 2HG2 ILE 11 2HG2 ILE 11 6.851 -13.354 1.881 72 3HG2 ILE 11 3HG2 ILE 11 6.597 -11.727 1.249 73 1HD1 ILE 11 1HD1 ILE 11 4.784 -13.202 3.995 74 2HD1 ILE 11 2HD1 ILE 11 5.788 -14.210 2.953 75 3HD1 ILE 11 3HD1 ILE 11 5.571 -14.637 4.652 76 H ALA 12 H ALA 12 6.762 -8.957 3.120 77 HA ALA 12 HA ALA 12 7.792 -8.244 0.562 78 1HB ALA 12 1HB ALA 12 5.646 -7.473 1.432 79 2HB ALA 12 2HB ALA 12 6.447 -6.639 2.764 80 3HB ALA 12 3HB ALA 12 6.655 -6.062 1.110 81 H SER 13 H SER 13 8.634 -7.116 3.839 82 HA SER 13 HA SER 13 10.586 -5.166 3.051 83 1HB SER 13 1HB SER 13 9.447 -6.263 5.400 84 2HB SER 13 2HB SER 13 11.186 -6.497 5.552 85 HG SER 13 HG SER 13 11.303 -4.448 5.960 86 H PHE 14 H PHE 14 10.788 -8.648 3.780 87 HA PHE 14 HA PHE 14 13.666 -8.842 3.560 88 1HB PHE 14 1HB PHE 14 11.279 -10.603 3.701 89 2HB PHE 14 2HB PHE 14 12.708 -11.320 2.954 90 HD1 PHE 14 HD1 PHE 14 11.076 -10.917 5.998 91 HD2 PHE 14 HD2 PHE 14 14.997 -10.628 4.268 92 HE1 PHE 14 HE1 PHE 14 12.089 -11.242 8.239 93 HE2 PHE 14 HE2 PHE 14 16.009 -10.954 6.507 94 HZ PHE 14 HZ PHE 14 14.556 -11.261 8.493 95 H ARG 15 H ARG 15 10.990 -9.334 1.247 96 HA ARG 15 HA ARG 15 12.489 -10.247 -0.977 97 1HB ARG 15 1HB ARG 15 10.051 -10.207 -0.893 98 2HB ARG 15 2HB ARG 15 10.051 -8.448 -0.762 99 1HG ARG 15 1HG ARG 15 11.577 -9.386 -3.071 100 2HG ARG 15 2HG ARG 15 9.889 -9.896 -3.130 101 1HD ARG 15 1HD ARG 15 10.348 -7.076 -2.304 102 2HD ARG 15 2HD ARG 15 10.694 -7.461 -4.002 103 HE ARG 15 HE ARG 15 8.281 -8.744 -3.485 104 1HH1 ARG 15 1HH1 ARG 15 9.529 -5.534 -3.226 105 2HH1 ARG 15 2HH1 ARG 15 7.997 -4.778 -3.513 106 1HH2 ARG 15 1HH2 ARG 15 6.280 -7.769 -3.860 107 2HH2 ARG 15 2HH2 ARG 15 6.161 -6.041 -3.875 108 H ILE 16 H ILE 16 11.835 -6.932 0.159 109 HA ILE 16 HA ILE 16 13.059 -5.511 -1.989 110 HB ILE 16 HB ILE 16 12.783 -4.923 0.977 111 1HG1 ILE 16 1HG1 ILE 16 11.118 -3.969 -1.369 112 2HG1 ILE 16 2HG1 ILE 16 10.690 -5.367 -0.383 113 1HG2 ILE 16 1HG2 ILE 16 13.407 -3.085 -1.353 114 2HG2 ILE 16 2HG2 ILE 16 13.017 -2.543 0.279 115 3HG2 ILE 16 3HG2 ILE 16 14.486 -3.473 -0.013 116 1HD1 ILE 16 1HD1 ILE 16 11.317 -2.787 1.000 117 2HD1 ILE 16 2HD1 ILE 16 9.750 -2.957 0.209 118 3HD1 ILE 16 3HD1 ILE 16 10.219 -4.078 1.487 119 H LEU 17 H LEU 17 14.425 -6.723 1.089 120 HA LEU 17 HA LEU 17 17.093 -5.746 0.670 121 1HB LEU 17 1HB LEU 17 16.056 -8.160 2.199 122 2HB LEU 17 2HB LEU 17 17.613 -7.374 2.459 123 HG LEU 17 HG LEU 17 14.878 -6.135 2.861 124 1HD1 LEU 17 1HD1 LEU 17 15.929 -7.773 4.586 125 2HD1 LEU 17 2HD1 LEU 17 17.065 -6.462 4.910 126 3HD1 LEU 17 3HD1 LEU 17 15.338 -6.217 5.170 127 1HD2 LEU 17 1HD2 LEU 17 17.475 -4.953 2.327 128 2HD2 LEU 17 2HD2 LEU 17 15.910 -4.160 2.499 129 3HD2 LEU 17 3HD2 LEU 17 16.895 -4.487 3.926 130 H ALA 18 H ALA 18 15.505 -8.845 -0.093 131 HA ALA 18 HA ALA 18 17.872 -10.104 -1.188 132 1HB ALA 18 1HB ALA 18 15.264 -10.981 -2.202 133 2HB ALA 18 2HB ALA 18 16.440 -11.866 -1.232 134 3HB ALA 18 3HB ALA 18 15.282 -10.790 -0.449 135 H SER 19 H SER 19 15.703 -7.712 -2.375 136 HA SER 19 HA SER 19 15.684 -6.574 -4.452 137 1HB SER 19 1HB SER 19 18.238 -7.507 -4.067 138 2HB SER 19 2HB SER 19 17.820 -8.254 -5.606 139 HG SER 19 HG SER 19 17.131 -6.111 -6.266 140 H ASP 20 H ASP 20 13.624 -8.007 -4.568 141 HA ASP 20 HA ASP 20 12.198 -9.355 -5.886 142 1HB ASP 20 1HB ASP 20 14.492 -8.776 -7.787 143 2HB ASP 20 2HB ASP 20 12.956 -9.483 -8.288 144 H LYS 21 H LYS 21 13.321 -10.991 -4.156 145 HA LYS 21 HA LYS 21 13.981 -13.408 -5.730 146 1HB LYS 21 1HB LYS 21 15.798 -12.102 -3.682 147 2HB LYS 21 2HB LYS 21 16.030 -13.743 -4.285 148 1HG LYS 21 1HG LYS 21 15.893 -12.608 -6.647 149 2HG LYS 21 2HG LYS 21 16.292 -11.137 -5.757 150 1HD LYS 21 1HD LYS 21 18.383 -11.946 -5.094 151 2HD LYS 21 2HD LYS 21 17.911 -13.631 -5.319 152 1HE LYS 21 1HE LYS 21 19.466 -12.801 -7.117 153 2HE LYS 21 2HE LYS 21 17.899 -13.329 -7.761 154 1HZ LYS 21 1HZ LYS 21 18.391 -10.538 -6.904 155 2HZ LYS 21 2HZ LYS 21 18.699 -11.055 -8.493 156 3HZ LYS 21 3HZ LYS 21 17.123 -11.133 -7.861 157 HA PRO 22 HA PRO 22 11.582 -14.981 -2.394 158 1HB PRO 22 1HB PRO 22 12.045 -17.689 -2.906 159 2HB PRO 22 2HB PRO 22 10.788 -16.703 -3.675 160 1HG PRO 22 1HG PRO 22 13.437 -17.532 -4.705 161 2HG PRO 22 2HG PRO 22 11.915 -17.265 -5.571 162 1HD PRO 22 1HD PRO 22 13.973 -15.512 -5.648 163 2HD PRO 22 2HD PRO 22 12.273 -15.011 -5.780 164 H TYR 23 H TYR 23 14.870 -14.976 -2.556 165 HA TYR 23 HA TYR 23 15.107 -16.116 0.189 166 1HB TYR 23 1HB TYR 23 17.106 -17.408 -0.590 167 2HB TYR 23 2HB TYR 23 15.617 -17.934 -1.374 168 HD1 TYR 23 HD1 TYR 23 15.421 -17.900 -3.722 169 HD2 TYR 23 HD2 TYR 23 18.549 -15.659 -1.813 170 HE1 TYR 23 HE1 TYR 23 16.405 -17.386 -5.940 171 HE2 TYR 23 HE2 TYR 23 19.533 -15.145 -4.030 172 HH TYR 23 HH TYR 23 17.860 -15.767 -6.972 173 H ILE 24 H ILE 24 17.045 -15.318 1.298 174 HA ILE 24 HA ILE 24 18.304 -12.953 -0.054 175 HB ILE 24 HB ILE 24 16.473 -12.721 1.840 176 1HG1 ILE 24 1HG1 ILE 24 17.757 -10.853 0.870 177 2HG1 ILE 24 2HG1 ILE 24 17.584 -10.654 2.614 178 1HG2 ILE 24 1HG2 ILE 24 17.694 -14.308 3.366 179 2HG2 ILE 24 2HG2 ILE 24 18.977 -13.106 3.501 180 3HG2 ILE 24 3HG2 ILE 24 17.358 -12.735 4.090 181 1HD1 ILE 24 1HD1 ILE 24 19.903 -12.128 2.428 182 2HD1 ILE 24 2HD1 ILE 24 20.012 -11.084 1.010 183 3HD1 ILE 24 3HD1 ILE 24 19.834 -10.376 2.615 184 H LEU 25 H LEU 25 20.551 -12.758 0.258 185 HA LEU 25 HA LEU 25 21.956 -15.155 1.173 186 1HB LEU 25 1HB LEU 25 22.747 -12.436 0.091 187 2HB LEU 25 2HB LEU 25 23.937 -13.665 0.525 188 HG LEU 25 HG LEU 25 22.439 -15.220 -0.989 189 1HD1 LEU 25 1HD1 LEU 25 21.695 -12.413 -1.811 190 2HD1 LEU 25 2HD1 LEU 25 21.634 -13.750 -2.959 191 3HD1 LEU 25 3HD1 LEU 25 20.630 -13.786 -1.509 192 1HD2 LEU 25 1HD2 LEU 25 24.804 -14.573 -1.414 193 2HD2 LEU 25 2HD2 LEU 25 23.862 -14.645 -2.904 194 3HD2 LEU 25 3HD2 LEU 25 24.241 -13.085 -2.175 195 H ALA 26 H ALA 26 23.268 -15.293 3.027 196 HA ALA 26 HA ALA 26 22.502 -13.893 5.372 197 1HB ALA 26 1HB ALA 26 24.843 -15.573 4.504 198 2HB ALA 26 2HB ALA 26 23.559 -15.971 5.646 199 3HB ALA 26 3HB ALA 26 24.835 -14.848 6.112 200 H GLU 27 H GLU 27 25.322 -13.392 3.241 201 HA GLU 27 HA GLU 27 26.489 -11.243 4.733 202 1HB GLU 27 1HB GLU 27 26.689 -12.541 2.101 203 2HB GLU 27 2HB GLU 27 27.199 -10.854 2.103 204 1HG GLU 27 1HG GLU 27 28.199 -12.294 4.435 205 2HG GLU 27 2HG GLU 27 28.739 -13.029 2.925 206 H GLU 28 H GLU 28 23.992 -11.327 2.209 207 HA GLU 28 HA GLU 28 23.920 -8.517 1.650 208 1HB GLU 28 1HB GLU 28 22.318 -10.947 1.206 209 2HB GLU 28 2HB GLU 28 21.356 -9.469 1.264 210 1HG GLU 28 1HG GLU 28 21.988 -9.651 -1.009 211 2HG GLU 28 2HG GLU 28 23.126 -8.481 -0.338 212 H LEU 29 H LEU 29 21.877 -10.487 3.858 213 HA LEU 29 HA LEU 29 20.479 -8.217 4.950 214 1HB LEU 29 1HB LEU 29 19.473 -9.835 6.313 215 2HB LEU 29 2HB LEU 29 19.993 -10.802 4.937 216 HG LEU 29 HG LEU 29 22.183 -11.139 6.322 217 1HD1 LEU 29 1HD1 LEU 29 20.592 -9.554 8.106 218 2HD1 LEU 29 2HD1 LEU 29 20.817 -11.150 8.821 219 3HD1 LEU 29 3HD1 LEU 29 22.219 -10.185 8.361 220 1HD2 LEU 29 1HD2 LEU 29 19.825 -12.589 6.016 221 2HD2 LEU 29 2HD2 LEU 29 21.341 -13.212 6.668 222 3HD2 LEU 29 3HD2 LEU 29 20.097 -12.600 7.759 223 H ARG 30 H ARG 30 23.460 -9.897 5.793 224 HA ARG 30 HA ARG 30 23.911 -8.790 8.382 225 1HB ARG 30 1HB ARG 30 25.232 -10.362 6.393 226 2HB ARG 30 2HB ARG 30 26.355 -9.111 6.924 227 1HG ARG 30 1HG ARG 30 25.306 -9.887 9.315 228 2HG ARG 30 2HG ARG 30 25.245 -11.407 8.423 229 1HD ARG 30 1HD ARG 30 27.541 -11.579 8.293 230 2HD ARG 30 2HD ARG 30 27.768 -9.820 8.212 231 HE ARG 30 HE ARG 30 26.694 -10.260 10.740 232 1HH1 ARG 30 1HH1 ARG 30 29.406 -11.392 8.926 233 2HH1 ARG 30 2HH1 ARG 30 30.400 -11.640 10.322 234 1HH2 ARG 30 1HH2 ARG 30 27.981 -10.578 12.567 235 2HH2 ARG 30 2HH2 ARG 30 29.595 -11.179 12.382 236 H ARG 31 H ARG 31 24.576 -7.514 5.135 237 HA ARG 31 HA ARG 31 25.892 -5.109 6.275 238 1HB ARG 31 1HB ARG 31 26.228 -6.657 4.011 239 2HB ARG 31 2HB ARG 31 25.354 -5.258 3.386 240 1HG ARG 31 1HG ARG 31 27.032 -3.799 4.612 241 2HG ARG 31 2HG ARG 31 27.969 -5.264 4.908 242 1HD ARG 31 1HD ARG 31 27.760 -5.626 2.319 243 2HD ARG 31 2HD ARG 31 27.408 -3.886 2.290 244 HE ARG 31 HE ARG 31 29.643 -4.252 3.987 245 1HH1 ARG 31 1HH1 ARG 31 28.733 -4.679 0.682 246 2HH1 ARG 31 2HH1 ARG 31 30.329 -4.397 0.073 247 1HH2 ARG 31 1HH2 ARG 31 31.726 -3.884 3.204 248 2HH2 ARG 31 2HH2 ARG 31 32.022 -3.950 1.499 249 H GLU 32 H GLU 32 22.792 -6.145 5.142 250 HA GLU 32 HA GLU 32 21.860 -3.406 4.525 251 1HB GLU 32 1HB GLU 32 20.797 -6.218 4.388 252 2HB GLU 32 2HB GLU 32 19.677 -4.859 4.280 253 1HG GLU 32 1HG GLU 32 20.964 -3.931 2.398 254 2HG GLU 32 2HG GLU 32 22.105 -5.271 2.511 255 H LEU 33 H LEU 33 21.876 -5.656 7.191 256 HA LEU 33 HA LEU 33 19.950 -3.913 8.684 257 1HB LEU 33 1HB LEU 33 20.487 -6.837 8.469 258 2HB LEU 33 2HB LEU 33 20.001 -6.231 10.048 259 HG LEU 33 HG LEU 33 18.494 -5.640 7.490 260 1HD1 LEU 33 1HD1 LEU 33 18.660 -8.116 8.537 261 2HD1 LEU 33 2HD1 LEU 33 17.387 -7.463 9.567 262 3HD1 LEU 33 3HD1 LEU 33 17.176 -7.493 7.817 263 1HD2 LEU 33 1HD2 LEU 33 18.415 -4.260 9.803 264 2HD2 LEU 33 2HD2 LEU 33 16.987 -4.502 8.801 265 3HD2 LEU 33 3HD2 LEU 33 17.265 -5.536 10.201 266 HA PRO 34 HA PRO 34 23.172 -2.834 11.451 267 1HB PRO 34 1HB PRO 34 21.286 -3.396 13.689 268 2HB PRO 34 2HB PRO 34 22.180 -1.909 13.317 269 1HG PRO 34 1HG PRO 34 19.557 -2.127 12.868 270 2HG PRO 34 2HG PRO 34 20.620 -1.183 11.812 271 1HD PRO 34 1HD PRO 34 19.356 -3.822 11.341 272 2HD PRO 34 2HD PRO 34 19.786 -2.545 10.183 273 HA PRO 35 HA PRO 35 25.218 -6.495 12.695 274 1HB PRO 35 1HB PRO 35 26.015 -5.872 15.274 275 2HB PRO 35 2HB PRO 35 26.892 -5.387 13.810 276 1HG PRO 35 1HG PRO 35 25.034 -3.817 15.512 277 2HG PRO 35 2HG PRO 35 26.501 -3.303 14.665 278 1HD PRO 35 1HD PRO 35 24.015 -2.741 13.761 279 2HD PRO 35 2HD PRO 35 25.403 -2.983 12.678 280 H ASP 36 H ASP 36 23.142 -5.016 15.208 281 HA ASP 36 HA ASP 36 22.583 -7.445 16.628 282 1HB ASP 36 1HB ASP 36 22.034 -4.706 16.793 283 2HB ASP 36 2HB ASP 36 20.447 -5.459 16.630 284 H GLN 37 H GLN 37 20.738 -5.720 14.085 285 HA GLN 37 HA GLN 37 18.607 -7.662 13.959 286 1HB GLN 37 1HB GLN 37 19.604 -5.293 12.466 287 2HB GLN 37 2HB GLN 37 18.563 -6.395 11.563 288 1HG GLN 37 1HG GLN 37 17.165 -4.722 12.634 289 2HG GLN 37 2HG GLN 37 16.901 -6.271 13.437 290 2HE2 GLN 37 2HE2 GLN 37 17.336 -6.375 15.673 291 1HE2 GLN 37 1HE2 GLN 37 18.055 -5.120 16.561 292 H ALA 38 H ALA 38 21.585 -7.175 12.049 293 HA ALA 38 HA ALA 38 21.150 -9.175 10.080 294 1HB ALA 38 1HB ALA 38 23.467 -7.766 11.341 295 2HB ALA 38 2HB ALA 38 23.815 -9.159 10.319 296 3HB ALA 38 3HB ALA 38 22.946 -7.775 9.657 297 H GLN 39 H GLN 39 22.849 -9.428 13.228 298 HA GLN 39 HA GLN 39 23.441 -12.230 13.010 299 1HB GLN 39 1HB GLN 39 24.355 -10.349 14.553 300 2HB GLN 39 2HB GLN 39 22.969 -10.721 15.580 301 1HG GLN 39 1HG GLN 39 23.692 -13.120 15.595 302 2HG GLN 39 2HG GLN 39 25.143 -12.646 14.711 303 2HE2 GLN 39 2HE2 GLN 39 26.149 -13.581 16.838 304 1HE2 GLN 39 1HE2 GLN 39 26.373 -12.482 18.113 305 H TYR 40 H TYR 40 20.754 -10.468 14.575 306 HA TYR 40 HA TYR 40 19.442 -12.731 15.718 307 1HB TYR 40 1HB TYR 40 19.156 -10.013 15.695 308 2HB TYR 40 2HB TYR 40 17.792 -10.499 14.688 309 HD1 TYR 40 HD1 TYR 40 19.295 -10.672 18.042 310 HD2 TYR 40 HD2 TYR 40 15.983 -11.883 15.588 311 HE1 TYR 40 HE1 TYR 40 18.036 -11.345 20.071 312 HE2 TYR 40 HE2 TYR 40 14.726 -12.556 17.617 313 HH TYR 40 HH TYR 40 15.942 -13.214 20.398 314 H CYS 41 H CYS 41 18.907 -11.090 12.575 315 HA CYS 41 HA CYS 41 16.785 -12.771 11.670 316 1HB CYS 41 1HB CYS 41 18.943 -11.229 10.194 317 2HB CYS 41 2HB CYS 41 17.469 -11.845 9.449 318 HG CYS 41 HG CYS 41 16.518 -10.241 11.709 319 H ILE 42 H ILE 42 20.298 -12.939 10.937 320 HA ILE 42 HA ILE 42 20.224 -15.297 9.353 321 HB ILE 42 HB ILE 42 22.274 -14.008 11.165 322 1HG1 ILE 42 1HG1 ILE 42 22.150 -14.276 8.147 323 2HG1 ILE 42 2HG1 ILE 42 21.507 -12.889 9.028 324 1HG2 ILE 42 1HG2 ILE 42 22.444 -16.536 9.541 325 2HG2 ILE 42 2HG2 ILE 42 23.872 -15.522 9.748 326 3HG2 ILE 42 3HG2 ILE 42 23.069 -16.213 11.159 327 1HD1 ILE 42 1HD1 ILE 42 24.284 -13.681 9.712 328 2HD1 ILE 42 2HD1 ILE 42 24.053 -13.001 8.101 329 3HD1 ILE 42 3HD1 ILE 42 23.585 -12.072 9.526 330 H LYS 43 H LYS 43 19.821 -14.877 12.770 331 HA LYS 43 HA LYS 43 20.560 -17.637 13.470 332 1HB LYS 43 1HB LYS 43 20.570 -15.274 14.775 333 2HB LYS 43 2HB LYS 43 18.993 -15.876 15.288 334 1HG LYS 43 1HG LYS 43 20.778 -18.067 15.463 335 2HG LYS 43 2HG LYS 43 21.606 -16.688 16.189 336 1HD LYS 43 1HD LYS 43 19.533 -16.240 17.540 337 2HD LYS 43 2HD LYS 43 18.860 -17.746 16.914 338 1HE LYS 43 1HE LYS 43 21.505 -17.576 18.399 339 2HE LYS 43 2HE LYS 43 19.966 -18.038 19.153 340 1HZ LYS 43 1HZ LYS 43 19.801 -19.631 17.147 341 2HZ LYS 43 2HZ LYS 43 21.483 -19.426 17.040 342 3HZ LYS 43 3HZ LYS 43 20.790 -20.065 18.454 343 H ARG 44 H ARG 44 17.706 -15.925 12.464 344 HA ARG 44 HA ARG 44 15.924 -18.091 13.472 345 1HB ARG 44 1HB ARG 44 15.506 -15.338 12.278 346 2HB ARG 44 2HB ARG 44 14.174 -16.426 12.672 347 1HG ARG 44 1HG ARG 44 16.254 -15.361 14.606 348 2HG ARG 44 2HG ARG 44 14.551 -14.903 14.546 349 1HD ARG 44 1HD ARG 44 14.119 -17.482 14.840 350 2HD ARG 44 2HD ARG 44 15.776 -17.489 15.476 351 HE ARG 44 HE ARG 44 14.991 -16.292 17.355 352 1HH1 ARG 44 1HH1 ARG 44 12.807 -16.066 14.689 353 2HH1 ARG 44 2HH1 ARG 44 11.595 -15.218 15.589 354 1HH2 ARG 44 1HH2 ARG 44 13.417 -15.189 18.537 355 2HH2 ARG 44 2HH2 ARG 44 11.939 -14.722 17.764 356 H MET 45 H MET 45 15.826 -16.168 10.453 357 HA MET 45 HA MET 45 14.535 -17.983 8.814 358 1HB MET 45 1HB MET 45 15.616 -16.767 6.999 359 2HB MET 45 2HB MET 45 15.275 -15.642 8.310 360 1HG MET 45 1HG MET 45 17.767 -16.566 9.002 361 2HG MET 45 2HG MET 45 17.866 -16.546 7.241 362 1HE MET 45 1HE MET 45 16.225 -14.744 6.169 363 2HE MET 45 2HE MET 45 15.311 -13.861 7.397 364 3HE MET 45 3HE MET 45 16.511 -13.024 6.416 365 HA PRO 46 HA PRO 46 17.171 -21.542 8.868 366 1HB PRO 46 1HB PRO 46 16.261 -22.501 6.377 367 2HB PRO 46 2HB PRO 46 15.608 -22.935 7.965 368 1HG PRO 46 1HG PRO 46 14.594 -21.009 5.970 369 2HG PRO 46 2HG PRO 46 13.713 -21.986 7.152 370 1HD PRO 46 1HD PRO 46 14.082 -19.333 7.454 371 2HD PRO 46 2HD PRO 46 13.994 -20.449 8.835 372 H ALA 47 H ALA 47 18.423 -22.651 6.737 373 HA ALA 47 HA ALA 47 20.008 -20.371 5.620 374 1HB ALA 47 1HB ALA 47 20.582 -23.260 6.300 375 2HB ALA 47 2HB ALA 47 21.320 -21.815 6.988 376 3HB ALA 47 3HB ALA 47 21.698 -22.295 5.334 377 H TYR 48 H TYR 48 17.510 -21.228 4.361 378 HA TYR 48 HA TYR 48 18.361 -21.473 1.634 379 1HB TYR 48 1HB TYR 48 19.044 -23.701 2.449 380 2HB TYR 48 2HB TYR 48 17.407 -24.001 3.008 381 HD1 TYR 48 HD1 TYR 48 19.363 -23.168 -0.066 382 HD2 TYR 48 HD2 TYR 48 15.809 -24.943 1.567 383 HE1 TYR 48 HE1 TYR 48 18.753 -24.014 -2.316 384 HE2 TYR 48 HE2 TYR 48 15.197 -25.788 -0.683 385 HH TYR 48 HH TYR 48 17.113 -26.224 -3.061 386 H SER 49 H SER 49 16.364 -22.162 0.219 387 HA SER 49 HA SER 49 13.800 -21.484 1.603 388 1HB SER 49 1HB SER 49 15.333 -19.797 -0.042 389 2HB SER 49 2HB SER 49 14.012 -20.355 -1.064 390 HG SER 49 HG SER 49 13.851 -18.448 0.612 391 H GLY 50 H GLY 50 15.102 -22.359 -1.634 392 1HA GLY 50 1HA GLY 50 12.691 -23.842 -2.314 393 2HA GLY 50 2HA GLY 50 14.036 -24.902 -1.897 394 HA PRO 51 HA PRO 51 14.087 -22.714 -6.300 395 1HB PRO 51 1HB PRO 51 15.724 -20.375 -5.455 396 2HB PRO 51 2HB PRO 51 14.420 -20.463 -6.656 397 1HG PRO 51 1HG PRO 51 14.057 -19.331 -4.267 398 2HG PRO 51 2HG PRO 51 12.772 -20.230 -5.088 399 1HD PRO 51 1HD PRO 51 14.433 -21.019 -2.759 400 2HD PRO 51 2HD PRO 51 12.755 -21.446 -3.154 401 H GLY 52 H GLY 52 16.207 -22.437 -7.636 402 1HA GLY 52 1HA GLY 52 18.436 -23.060 -8.061 403 2HA GLY 52 2HA GLY 52 18.066 -24.421 -7.001 404 H SER 53 H SER 53 18.993 -24.442 -4.968 405 HA SER 53 HA SER 53 19.674 -22.529 -3.208 406 1HB SER 53 1HB SER 53 21.910 -24.329 -3.495 407 2HB SER 53 2HB SER 53 20.662 -24.311 -2.254 408 HG SER 53 HG SER 53 20.973 -26.014 -4.268 409 H VAL 54 H VAL 54 21.186 -20.935 -2.997 410 HA VAL 54 HA VAL 54 23.198 -20.597 -5.198 411 HB VAL 54 HB VAL 54 22.700 -18.164 -5.016 412 1HG1 VAL 54 1HG1 VAL 54 21.303 -20.011 -6.377 413 2HG1 VAL 54 2HG1 VAL 54 20.009 -19.406 -5.341 414 3HG1 VAL 54 3HG1 VAL 54 20.873 -18.301 -6.410 415 1HG2 VAL 54 1HG2 VAL 54 21.767 -18.718 -2.544 416 2HG2 VAL 54 2HG2 VAL 54 21.259 -17.291 -3.449 417 3HG2 VAL 54 3HG2 VAL 54 20.242 -18.733 -3.431 418 HA PRO 55 HA PRO 55 26.438 -20.117 -2.313 419 1HB PRO 55 1HB PRO 55 26.816 -17.281 -3.106 420 2HB PRO 55 2HB PRO 55 27.975 -18.624 -3.138 421 1HG PRO 55 1HG PRO 55 26.872 -17.623 -5.369 422 2HG PRO 55 2HG PRO 55 27.310 -19.331 -5.200 423 1HD PRO 55 1HD PRO 55 24.633 -18.058 -5.160 424 2HD PRO 55 2HD PRO 55 25.113 -19.679 -5.702 425 H GLY 56 H GLY 56 25.187 -20.139 -0.380 426 1HA GLY 56 1HA GLY 56 25.041 -17.596 1.039 427 2HA GLY 56 2HA GLY 56 24.563 -19.168 1.681 428 H ALA 57 H ALA 57 22.441 -20.020 0.918 429 HA ALA 57 HA ALA 57 20.555 -17.820 0.128 430 1HB ALA 57 1HB ALA 57 19.444 -19.401 -1.184 431 2HB ALA 57 2HB ALA 57 19.975 -20.751 -0.183 432 3HB ALA 57 3HB ALA 57 21.102 -19.988 -1.305 433 H LEU 58 H LEU 58 19.217 -17.242 1.796 434 HA LEU 58 HA LEU 58 18.425 -19.368 3.760 435 1HB LEU 58 1HB LEU 58 18.907 -16.442 4.356 436 2HB LEU 58 2HB LEU 58 18.707 -17.751 5.516 437 HG LEU 58 HG LEU 58 20.796 -18.726 4.110 438 1HD1 LEU 58 1HD1 LEU 58 20.899 -15.711 3.897 439 2HD1 LEU 58 2HD1 LEU 58 22.355 -16.705 3.840 440 3HD1 LEU 58 3HD1 LEU 58 21.105 -16.901 2.611 441 1HD2 LEU 58 1HD2 LEU 58 20.597 -18.336 6.585 442 2HD2 LEU 58 2HD2 LEU 58 22.198 -17.962 5.946 443 3HD2 LEU 58 3HD2 LEU 58 21.069 -16.658 6.314 444 H ASP 59 H ASP 59 16.244 -19.315 4.367 445 HA ASP 59 HA ASP 59 14.490 -17.565 2.725 446 1HB ASP 59 1HB ASP 59 13.964 -19.906 2.716 447 2HB ASP 59 2HB ASP 59 14.087 -20.006 4.472 448 H TYR 60 H TYR 60 14.078 -15.594 3.682 449 HA TYR 60 HA TYR 60 14.117 -15.223 6.582 450 1HB TYR 60 1HB TYR 60 13.370 -12.919 5.888 451 2HB TYR 60 2HB TYR 60 14.812 -13.463 5.031 452 HD1 TYR 60 HD1 TYR 60 14.836 -13.610 2.676 453 HD2 TYR 60 HD2 TYR 60 11.091 -13.264 4.754 454 HE1 TYR 60 HE1 TYR 60 13.661 -13.322 0.512 455 HE2 TYR 60 HE2 TYR 60 9.917 -12.977 2.589 456 HH TYR 60 HH TYR 60 11.676 -13.190 -0.498 457 H ALA 61 H ALA 61 11.747 -15.951 4.120 458 HA ALA 61 HA ALA 61 9.338 -15.132 5.364 459 1HB ALA 61 1HB ALA 61 9.902 -17.651 3.762 460 2HB ALA 61 2HB ALA 61 8.344 -16.839 3.916 461 3HB ALA 61 3HB ALA 61 9.666 -16.054 3.052 462 H ALA 62 H ALA 62 11.171 -18.192 5.705 463 HA ALA 62 HA ALA 62 9.423 -19.511 7.504 464 1HB ALA 62 1HB ALA 62 11.071 -21.005 7.103 465 2HB ALA 62 2HB ALA 62 12.109 -19.722 6.478 466 3HB ALA 62 3HB ALA 62 12.108 -20.095 8.202 467 H PHE 63 H PHE 63 11.914 -17.099 8.059 468 HA PHE 63 HA PHE 63 11.849 -17.211 10.954 469 1HB PHE 63 1HB PHE 63 13.780 -16.337 9.872 470 2HB PHE 63 2HB PHE 63 12.821 -15.264 8.856 471 HD1 PHE 63 HD1 PHE 63 12.091 -15.762 12.432 472 HD2 PHE 63 HD2 PHE 63 13.995 -13.233 9.529 473 HE1 PHE 63 HE1 PHE 63 12.297 -13.968 14.130 474 HE2 PHE 63 HE2 PHE 63 14.202 -11.439 11.228 475 HZ PHE 63 HZ PHE 63 13.352 -11.806 13.528 476 H SER 64 H SER 64 10.204 -15.240 8.493 477 HA SER 64 HA SER 64 8.996 -13.294 10.148 478 1HB SER 64 1HB SER 64 7.742 -12.855 8.234 479 2HB SER 64 2HB SER 64 9.060 -13.794 7.540 480 HG SER 64 HG SER 64 7.020 -14.577 6.878 481 H SER 65 H SER 65 7.686 -16.486 9.159 482 HA SER 65 HA SER 65 5.266 -16.327 10.671 483 1HB SER 65 1HB SER 65 6.951 -18.728 9.887 484 2HB SER 65 2HB SER 65 5.237 -18.761 10.293 485 HG SER 65 HG SER 65 4.947 -18.352 8.257 486 H ALA 66 H ALA 66 8.521 -17.480 11.521 487 HA ALA 66 HA ALA 66 7.765 -18.499 14.136 488 1HB ALA 66 1HB ALA 66 10.041 -19.020 14.268 489 2HB ALA 66 2HB ALA 66 10.523 -17.574 13.380 490 3HB ALA 66 3HB ALA 66 9.809 -18.940 12.522 491 H LEU 67 H LEU 67 9.142 -15.443 12.929 492 HA LEU 67 HA LEU 67 9.700 -14.229 15.444 493 1HB LEU 67 1HB LEU 67 10.452 -12.701 13.963 494 2HB LEU 67 2HB LEU 67 9.731 -13.638 12.667 495 HG LEU 67 HG LEU 67 7.579 -12.392 13.064 496 1HD1 LEU 67 1HD1 LEU 67 9.161 -11.391 15.303 497 2HD1 LEU 67 2HD1 LEU 67 8.497 -10.078 14.330 498 3HD1 LEU 67 3HD1 LEU 67 7.421 -11.287 15.030 499 1HD2 LEU 67 1HD2 LEU 67 10.135 -11.033 12.253 500 2HD2 LEU 67 2HD2 LEU 67 8.790 -11.560 11.242 501 3HD2 LEU 67 3HD2 LEU 67 8.623 -10.125 12.253 502 H TYR 68 H TYR 68 6.773 -14.168 13.432 503 HA TYR 68 HA TYR 68 5.274 -12.758 15.575 504 1HB TYR 68 1HB TYR 68 4.941 -13.395 12.665 505 2HB TYR 68 2HB TYR 68 3.499 -13.037 13.616 506 HD1 TYR 68 HD1 TYR 68 5.374 -11.474 11.374 507 HD2 TYR 68 HD2 TYR 68 4.451 -11.059 15.548 508 HE1 TYR 68 HE1 TYR 68 5.888 -9.051 11.246 509 HE2 TYR 68 HE2 TYR 68 4.965 -8.637 15.421 510 HH TYR 68 HH TYR 68 5.063 -6.866 13.736 511 H GLY 69 H GLY 69 6.104 -15.882 15.043 512 1HA GLY 69 1HA GLY 69 3.764 -16.883 16.519 513 2HA GLY 69 2HA GLY 69 5.227 -17.799 16.150 514 H GLU 70 H GLU 70 4.395 -19.582 15.098 515 HA GLU 70 HA GLU 70 3.075 -19.091 12.478 516 1HB GLU 70 1HB GLU 70 5.169 -20.560 12.998 517 2HB GLU 70 2HB GLU 70 3.998 -21.734 13.601 518 1HG GLU 70 1HG GLU 70 2.809 -21.624 11.413 519 2HG GLU 70 2HG GLU 70 4.066 -20.540 10.816 520 H SER 71 H SER 71 2.643 -21.157 15.375 521 HA SER 71 HA SER 71 -0.270 -20.859 15.232 522 1HB SER 71 1HB SER 71 1.157 -23.426 14.486 523 2HB SER 71 2HB SER 71 -0.551 -23.369 14.910 524 HG SER 71 HG SER 71 -0.752 -21.770 13.213 525 H ASP 72 H ASP 72 1.412 -23.744 16.376 526 HA ASP 72 HA ASP 72 0.588 -23.069 19.153 527 1HB ASP 72 1HB ASP 72 1.137 -25.487 19.499 528 2HB ASP 72 2HB ASP 72 -0.033 -25.239 18.203 529 H LEU 73 H LEU 73 2.179 -21.723 20.028 530 HA LEU 73 HA LEU 73 4.940 -21.723 19.448 531 1HB LEU 73 1HB LEU 73 5.102 -20.349 21.391 532 2HB LEU 73 2HB LEU 73 3.482 -20.075 20.763 533 HG LEU 73 HG LEU 73 3.168 -20.361 23.087 534 1HD1 LEU 73 1HD1 LEU 73 2.734 -23.082 21.820 535 2HD1 LEU 73 2HD1 LEU 73 1.995 -22.525 23.320 536 3HD1 LEU 73 3HD1 LEU 73 1.601 -21.733 21.796 537 1HD2 LEU 73 1HD2 LEU 73 5.588 -21.756 22.960 538 2HD2 LEU 73 2HD2 LEU 73 4.633 -21.448 24.410 539 3HD2 LEU 73 3HD2 LEU 73 4.418 -22.953 23.518 540 H GLY 7 H GLY 7 15.057 5.417 -1.589 541 1HA GLY 7 1HA GLY 7 14.007 3.386 -3.452 542 2HA GLY 7 2HA GLY 7 13.140 4.922 -3.423 543 H LYS 8 H LYS 8 12.377 2.133 -2.494 544 HA LYS 8 HA LYS 8 11.320 2.982 0.156 545 1HB LYS 8 1HB LYS 8 10.000 2.063 -1.899 546 2HB LYS 8 2HB LYS 8 10.611 0.490 -1.386 547 1HG LYS 8 1HG LYS 8 9.683 0.956 0.907 548 2HG LYS 8 2HG LYS 8 8.928 2.407 0.247 549 1HD LYS 8 1HD LYS 8 8.479 -0.203 -1.153 550 2HD LYS 8 2HD LYS 8 7.590 0.122 0.336 551 1HE LYS 8 1HE LYS 8 6.908 2.358 -0.699 552 2HE LYS 8 2HE LYS 8 7.547 1.732 -2.232 553 1HZ LYS 8 1HZ LYS 8 6.175 -0.292 -1.832 554 2HZ LYS 8 2HZ LYS 8 5.436 0.517 -0.533 555 3HZ LYS 8 3HZ LYS 8 5.264 1.112 -2.115 556 H LYS 9 H LYS 9 14.041 1.482 -0.841 557 HA LYS 9 HA LYS 9 14.136 -0.993 0.582 558 1HB LYS 9 1HB LYS 9 15.734 0.391 -1.115 559 2HB LYS 9 2HB LYS 9 16.570 0.705 0.407 560 1HG LYS 9 1HG LYS 9 16.404 -1.823 0.832 561 2HG LYS 9 2HG LYS 9 15.971 -1.966 -0.872 562 1HD LYS 9 1HD LYS 9 18.334 -2.262 -0.798 563 2HD LYS 9 2HD LYS 9 18.090 -0.611 -1.367 564 1HE LYS 9 1HE LYS 9 18.801 0.333 0.644 565 2HE LYS 9 2HE LYS 9 18.366 -1.106 1.587 566 1HZ LYS 9 1HZ LYS 9 20.473 -1.099 -0.501 567 2HZ LYS 9 2HZ LYS 9 20.802 -0.850 1.148 568 3HZ LYS 9 3HZ LYS 9 20.140 -2.325 0.623 569 H ALA 10 H ALA 10 15.181 2.291 1.573 570 HA ALA 10 HA ALA 10 16.108 1.673 4.170 571 1HB ALA 10 1HB ALA 10 16.191 3.967 4.354 572 2HB ALA 10 2HB ALA 10 14.549 4.174 3.746 573 3HB ALA 10 3HB ALA 10 15.875 3.878 2.621 574 H GLU 11 H GLU 11 12.801 2.378 3.040 575 HA GLU 11 HA GLU 11 11.529 2.403 5.604 576 1HB GLU 11 1HB GLU 11 10.852 2.269 2.749 577 2HB GLU 11 2HB GLU 11 9.678 1.442 3.775 578 1HG GLU 11 1HG GLU 11 8.793 3.464 4.232 579 2HG GLU 11 2HG GLU 11 10.262 3.814 5.143 580 H ALA 12 H ALA 12 12.158 -0.240 3.289 581 HA ALA 12 HA ALA 12 10.758 -2.302 4.690 582 1HB ALA 12 1HB ALA 12 13.183 -3.154 3.311 583 2HB ALA 12 2HB ALA 12 12.287 -1.961 2.370 584 3HB ALA 12 3HB ALA 12 11.498 -3.452 2.884 585 H VAL 13 H VAL 13 14.157 -1.211 4.873 586 HA VAL 13 HA VAL 13 15.143 -3.167 6.674 587 HB VAL 13 HB VAL 13 15.781 -0.224 6.303 588 1HG1 VAL 13 1HG1 VAL 13 16.619 -1.098 8.472 589 2HG1 VAL 13 2HG1 VAL 13 17.435 -2.405 7.613 590 3HG1 VAL 13 3HG1 VAL 13 17.937 -0.733 7.358 591 1HG2 VAL 13 1HG2 VAL 13 16.592 -2.781 4.972 592 2HG2 VAL 13 2HG2 VAL 13 16.291 -1.195 4.260 593 3HG2 VAL 13 3HG2 VAL 13 17.799 -1.502 5.122 594 H ALA 14 H ALA 14 13.534 -0.047 7.336 595 HA ALA 14 HA ALA 14 13.745 -0.112 10.183 596 1HB ALA 14 1HB ALA 14 12.063 1.207 8.096 597 2HB ALA 14 2HB ALA 14 13.081 1.936 9.337 598 3HB ALA 14 3HB ALA 14 11.496 1.291 9.763 599 H THR 15 H THR 15 11.334 -1.479 7.955 600 HA THR 15 HA THR 15 9.426 -2.312 9.927 601 HB THR 15 HB THR 15 10.082 -3.643 7.285 602 HG1 THR 15 HG1 THR 15 8.971 -1.151 7.898 603 1HG2 THR 15 1HG2 THR 15 8.345 -4.659 8.797 604 2HG2 THR 15 2HG2 THR 15 7.432 -3.157 8.665 605 3HG2 THR 15 3HG2 THR 15 7.718 -4.143 7.232 606 H VAL 16 H VAL 16 12.184 -4.013 8.414 607 HA VAL 16 HA VAL 16 11.795 -6.515 9.770 608 HB VAL 16 HB VAL 16 14.210 -5.127 8.567 609 1HG1 VAL 16 1HG1 VAL 16 13.837 -7.886 9.716 610 2HG1 VAL 16 2HG1 VAL 16 14.984 -7.615 8.405 611 3HG1 VAL 16 3HG1 VAL 16 15.182 -6.769 9.940 612 1HG2 VAL 16 1HG2 VAL 16 11.886 -6.397 7.473 613 2HG2 VAL 16 2HG2 VAL 16 13.264 -5.717 6.608 614 3HG2 VAL 16 3HG2 VAL 16 13.286 -7.407 7.113 615 H VAL 17 H VAL 17 13.871 -3.696 10.511 616 HA VAL 17 HA VAL 17 15.128 -4.720 12.843 617 HB VAL 17 HB VAL 17 14.248 -1.900 12.138 618 1HG1 VAL 17 1HG1 VAL 17 15.972 -3.064 14.273 619 2HG1 VAL 17 2HG1 VAL 17 16.546 -1.587 13.498 620 3HG1 VAL 17 3HG1 VAL 17 14.975 -1.609 14.301 621 1HG2 VAL 17 1HG2 VAL 17 16.078 -3.677 10.874 622 2HG2 VAL 17 2HG2 VAL 17 15.826 -1.966 10.530 623 3HG2 VAL 17 3HG2 VAL 17 17.037 -2.459 11.714 624 H ALA 18 H ALA 18 12.091 -2.856 12.514 625 HA ALA 18 HA ALA 18 11.455 -2.759 15.306 626 1HB ALA 18 1HB ALA 18 10.154 -2.328 12.678 627 2HB ALA 18 2HB ALA 18 10.161 -1.296 14.110 628 3HB ALA 18 3HB ALA 18 9.055 -2.666 14.014 629 H ALA 19 H ALA 19 10.502 -5.058 12.739 630 HA ALA 19 HA ALA 19 8.802 -6.685 14.381 631 1HB ALA 19 1HB ALA 19 8.482 -7.141 12.159 632 2HB ALA 19 2HB ALA 19 10.158 -6.775 11.746 633 3HB ALA 19 3HB ALA 19 9.740 -8.346 12.429 634 H VAL 20 H VAL 20 12.251 -7.016 13.473 635 HA VAL 20 HA VAL 20 12.772 -9.455 14.850 636 HB VAL 20 HB VAL 20 14.460 -7.032 14.164 637 1HG1 VAL 20 1HG1 VAL 20 15.108 -9.507 15.650 638 2HG1 VAL 20 2HG1 VAL 20 16.215 -9.115 14.334 639 3HG1 VAL 20 3HG1 VAL 20 15.942 -7.953 15.633 640 1HG2 VAL 20 1HG2 VAL 20 13.419 -9.323 12.713 641 2HG2 VAL 20 2HG2 VAL 20 14.266 -7.907 12.092 642 3HG2 VAL 20 3HG2 VAL 20 15.182 -9.300 12.667 643 H ASP 21 H ASP 21 12.941 -6.067 15.956 644 HA ASP 21 HA ASP 21 14.001 -6.604 18.566 645 1HB ASP 21 1HB ASP 21 13.882 -4.411 17.338 646 2HB ASP 21 2HB ASP 21 12.146 -4.385 17.649 647 H GLN 22 H GLN 22 10.706 -6.616 17.269 648 HA GLN 22 HA GLN 22 9.241 -6.637 19.704 649 1HB GLN 22 1HB GLN 22 8.823 -6.907 16.932 650 2HB GLN 22 2HB GLN 22 8.140 -8.367 17.647 651 1HG GLN 22 1HG GLN 22 6.353 -6.828 17.734 652 2HG GLN 22 2HG GLN 22 7.036 -6.758 19.359 653 2HE2 GLN 22 2HE2 GLN 22 5.576 -4.544 18.267 654 1HE2 GLN 22 1HE2 GLN 22 6.655 -3.255 18.036 655 H ALA 23 H ALA 23 10.441 -9.398 17.754 656 HA ALA 23 HA ALA 23 9.572 -11.458 19.543 657 1HB ALA 23 1HB ALA 23 10.176 -11.964 17.279 658 2HB ALA 23 2HB ALA 23 11.410 -12.730 18.280 659 3HB ALA 23 3HB ALA 23 11.759 -11.206 17.463 660 H ARG 24 H ARG 24 12.624 -9.643 19.302 661 HA ARG 24 HA ARG 24 14.127 -11.074 21.254 662 1HB ARG 24 1HB ARG 24 15.082 -9.481 19.679 663 2HB ARG 24 2HB ARG 24 14.113 -8.175 20.359 664 1HG ARG 24 1HG ARG 24 15.277 -8.471 22.534 665 2HG ARG 24 2HG ARG 24 16.283 -9.724 21.804 666 1HD ARG 24 1HD ARG 24 17.699 -8.094 21.114 667 2HD ARG 24 2HD ARG 24 16.407 -7.478 20.064 668 HE ARG 24 HE ARG 24 15.948 -5.811 21.683 669 1HH1 ARG 24 1HH1 ARG 24 17.900 -8.362 22.955 670 2HH1 ARG 24 2HH1 ARG 24 18.188 -7.562 24.462 671 1HH2 ARG 24 1HH2 ARG 24 16.320 -4.761 23.647 672 2HH2 ARG 24 2HH2 ARG 24 17.296 -5.527 24.854 673 H VAL 25 H VAL 25 11.716 -8.501 21.574 674 HA VAL 25 HA VAL 25 12.236 -7.911 24.354 675 HB VAL 25 HB VAL 25 9.855 -7.527 22.518 676 1HG1 VAL 25 1HG1 VAL 25 10.244 -6.957 25.393 677 2HG1 VAL 25 2HG1 VAL 25 9.642 -5.599 24.442 678 3HG1 VAL 25 3HG1 VAL 25 8.750 -7.119 24.470 679 1HG2 VAL 25 1HG2 VAL 25 12.354 -6.356 22.470 680 2HG2 VAL 25 2HG2 VAL 25 10.886 -5.627 21.817 681 3HG2 VAL 25 3HG2 VAL 25 11.426 -5.217 23.445 682 H ARG 26 H ARG 26 10.503 -10.434 22.727 683 HA ARG 26 HA ARG 26 9.203 -11.252 25.300 684 1HB ARG 26 1HB ARG 26 8.243 -10.889 22.703 685 2HB ARG 26 2HB ARG 26 8.385 -12.639 22.865 686 1HG ARG 26 1HG ARG 26 6.882 -12.730 24.654 687 2HG ARG 26 2HG ARG 26 7.128 -11.034 25.074 688 1HD ARG 26 1HD ARG 26 5.412 -10.405 23.736 689 2HD ARG 26 2HD ARG 26 6.111 -11.282 22.360 690 HE ARG 26 HE ARG 26 5.035 -13.164 24.235 691 1HH1 ARG 26 1HH1 ARG 26 4.119 -10.764 21.925 692 2HH1 ARG 26 2HH1 ARG 26 2.618 -11.532 21.532 693 1HH2 ARG 26 1HH2 ARG 26 3.082 -14.174 23.728 694 2HH2 ARG 26 2HH2 ARG 26 2.032 -13.464 22.548 695 H GLU 27 H GLU 27 11.969 -11.836 24.973 696 HA GLU 27 HA GLU 27 11.971 -14.759 24.303 697 1HB GLU 27 1HB GLU 27 13.491 -13.389 22.979 698 2HB GLU 27 2HB GLU 27 14.154 -12.653 24.439 699 1HG GLU 27 1HG GLU 27 15.462 -14.460 24.911 700 2HG GLU 27 2HG GLU 27 14.235 -15.610 24.380 701 HA PRO 28 HA PRO 28 12.243 -15.248 28.716 702 1HB PRO 28 1HB PRO 28 12.995 -18.035 28.085 703 2HB PRO 28 2HB PRO 28 11.618 -17.429 29.025 704 1HG PRO 28 1HG PRO 28 11.332 -18.500 26.582 705 2HG PRO 28 2HG PRO 28 10.286 -17.204 27.186 706 1HD PRO 28 1HD PRO 28 12.530 -17.068 25.235 707 2HD PRO 28 2HD PRO 28 11.003 -16.157 25.277 708 H ARG 29 H ARG 29 14.355 -13.914 28.178 709 HA ARG 29 HA ARG 29 16.577 -15.208 29.479 710 1HB ARG 29 1HB ARG 29 16.225 -15.973 26.862 711 2HB ARG 29 2HB ARG 29 17.366 -14.639 26.693 712 1HG ARG 29 1HG ARG 29 18.182 -16.217 28.931 713 2HG ARG 29 2HG ARG 29 17.897 -17.303 27.570 714 1HD ARG 29 1HD ARG 29 19.286 -15.663 26.159 715 2HD ARG 29 2HD ARG 29 19.788 -14.943 27.702 716 HE ARG 29 HE ARG 29 20.169 -17.632 28.139 717 1HH1 ARG 29 1HH1 ARG 29 21.083 -15.424 25.646 718 2HH1 ARG 29 2HH1 ARG 29 22.538 -16.274 25.250 719 1HH2 ARG 29 1HH2 ARG 29 22.064 -18.748 27.630 720 2HH2 ARG 29 2HH2 ARG 29 23.093 -18.154 26.370 No H/Q in entry = 720 Start of MODEL 23 1 H MET 1 H MET 1 0.649 -9.028 -4.269 2 HA MET 1 HA MET 1 0.281 -6.630 -5.857 3 1HB MET 1 1HB MET 1 -1.763 -8.790 -5.812 4 2HB MET 1 2HB MET 1 -2.371 -7.144 -5.628 5 1HG MET 1 1HG MET 1 -0.990 -6.522 -7.664 6 2HG MET 1 2HG MET 1 -0.702 -8.246 -7.900 7 1HE MET 1 1HE MET 1 -2.632 -5.365 -8.868 8 2HE MET 1 2HE MET 1 -1.978 -6.438 -10.104 9 3HE MET 1 3HE MET 1 -3.719 -6.144 -10.014 10 H ALA 2 H ALA 2 1.071 -5.683 -3.875 11 HA ALA 2 HA ALA 2 0.829 -4.689 -1.749 12 1HB ALA 2 1HB ALA 2 -1.121 -3.741 -2.864 13 2HB ALA 2 2HB ALA 2 -2.054 -5.204 -2.547 14 3HB ALA 2 3HB ALA 2 -1.569 -4.161 -1.210 15 H ASP 3 H ASP 3 -2.100 -6.230 -0.848 16 HA ASP 3 HA ASP 3 -2.559 -7.919 0.735 17 1HB ASP 3 1HB ASP 3 -1.309 -9.088 -1.222 18 2HB ASP 3 2HB ASP 3 0.074 -9.116 -0.127 19 H THR 4 H THR 4 -2.316 -7.542 2.903 20 HA THR 4 HA THR 4 0.442 -7.365 4.031 21 HB THR 4 HB THR 4 -0.412 -5.087 3.485 22 HG1 THR 4 HG1 THR 4 0.098 -4.263 5.455 23 1HG2 THR 4 1HG2 THR 4 -2.828 -5.696 3.768 24 2HG2 THR 4 2HG2 THR 4 -2.572 -5.717 5.512 25 3HG2 THR 4 3HG2 THR 4 -2.374 -4.215 4.609 26 H ASP 5 H ASP 5 0.566 -8.205 6.136 27 HA ASP 5 HA ASP 5 -1.776 -8.616 7.816 28 1HB ASP 5 1HB ASP 5 -1.728 -10.322 5.789 29 2HB ASP 5 2HB ASP 5 -0.543 -11.155 6.796 30 H THR 6 H THR 6 0.683 -7.417 8.375 31 HA THR 6 HA THR 6 2.368 -7.455 10.031 32 HB THR 6 HB THR 6 1.078 -10.064 10.865 33 HG1 THR 6 HG1 THR 6 -0.523 -8.487 10.522 34 1HG2 THR 6 1HG2 THR 6 3.201 -8.643 11.904 35 2HG2 THR 6 2HG2 THR 6 1.842 -8.058 12.864 36 3HG2 THR 6 3HG2 THR 6 2.204 -9.782 12.808 37 H ALA 7 H ALA 7 1.904 -10.965 9.470 38 HA ALA 7 HA ALA 7 4.737 -11.468 9.246 39 1HB ALA 7 1HB ALA 7 3.089 -13.135 9.983 40 2HB ALA 7 2HB ALA 7 3.912 -13.720 8.537 41 3HB ALA 7 3HB ALA 7 2.283 -13.056 8.417 42 H GLU 8 H GLU 8 2.136 -10.924 6.902 43 HA GLU 8 HA GLU 8 3.692 -11.552 4.545 44 1HB GLU 8 1HB GLU 8 1.051 -10.981 5.235 45 2HB GLU 8 2HB GLU 8 1.528 -9.604 4.242 46 1HG GLU 8 1HG GLU 8 2.273 -12.342 3.298 47 2HG GLU 8 2HG GLU 8 0.593 -11.832 3.128 48 H GLN 9 H GLN 9 3.042 -8.584 6.385 49 HA GLN 9 HA GLN 9 4.156 -6.699 4.555 50 1HB GLN 9 1HB GLN 9 3.263 -6.885 7.319 51 2HB GLN 9 2HB GLN 9 4.668 -5.827 7.179 52 1HG GLN 9 1HG GLN 9 2.683 -5.430 5.048 53 2HG GLN 9 2HG GLN 9 2.070 -5.066 6.661 54 2HE2 GLN 9 2HE2 GLN 9 2.099 -2.737 6.293 55 1HE2 GLN 9 1HE2 GLN 9 3.557 -1.873 6.189 56 H VAL 10 H VAL 10 5.668 -8.578 7.197 57 HA VAL 10 HA VAL 10 8.278 -7.444 7.028 58 HB VAL 10 HB VAL 10 7.301 -10.224 7.765 59 1HG1 VAL 10 1HG1 VAL 10 9.904 -9.537 7.282 60 2HG1 VAL 10 2HG1 VAL 10 9.759 -9.136 8.992 61 3HG1 VAL 10 3HG1 VAL 10 9.409 -10.772 8.438 62 1HG2 VAL 10 1HG2 VAL 10 7.238 -7.599 9.058 63 2HG2 VAL 10 2HG2 VAL 10 6.387 -9.080 9.493 64 3HG2 VAL 10 3HG2 VAL 10 8.039 -8.816 10.050 65 H ILE 11 H ILE 11 6.885 -10.309 5.397 66 HA ILE 11 HA ILE 11 9.158 -11.152 3.951 67 HB ILE 11 HB ILE 11 6.192 -11.139 3.309 68 1HG1 ILE 11 1HG1 ILE 11 7.891 -13.485 4.142 69 2HG1 ILE 11 2HG1 ILE 11 7.242 -12.379 5.352 70 1HG2 ILE 11 1HG2 ILE 11 8.141 -11.533 1.437 71 2HG2 ILE 11 2HG2 ILE 11 7.951 -13.169 2.067 72 3HG2 ILE 11 3HG2 ILE 11 6.562 -12.318 1.391 73 1HD1 ILE 11 1HD1 ILE 11 5.315 -13.318 3.303 74 2HD1 ILE 11 2HD1 ILE 11 5.884 -14.541 4.439 75 3HD1 ILE 11 3HD1 ILE 11 5.090 -13.084 5.036 76 H ALA 12 H ALA 12 6.662 -8.746 3.042 77 HA ALA 12 HA ALA 12 7.695 -8.053 0.484 78 1HB ALA 12 1HB ALA 12 6.066 -6.736 2.638 79 2HB ALA 12 2HB ALA 12 6.598 -5.761 1.267 80 3HB ALA 12 3HB ALA 12 5.587 -7.180 1.000 81 H SER 13 H SER 13 8.472 -6.857 3.744 82 HA SER 13 HA SER 13 10.393 -4.871 2.899 83 1HB SER 13 1HB SER 13 9.647 -6.336 5.417 84 2HB SER 13 2HB SER 13 11.125 -5.376 5.398 85 HG SER 13 HG SER 13 8.589 -4.413 4.561 86 H PHE 14 H PHE 14 10.580 -8.305 3.805 87 HA PHE 14 HA PHE 14 13.463 -8.511 3.732 88 1HB PHE 14 1HB PHE 14 11.066 -10.254 3.850 89 2HB PHE 14 2HB PHE 14 12.509 -11.012 3.177 90 HD1 PHE 14 HD1 PHE 14 10.790 -10.714 6.110 91 HD2 PHE 14 HD2 PHE 14 14.749 -10.063 4.576 92 HE1 PHE 14 HE1 PHE 14 11.718 -10.972 8.396 93 HE2 PHE 14 HE2 PHE 14 15.677 -10.321 6.862 94 HZ PHE 14 HZ PHE 14 14.162 -10.776 8.772 95 H ARG 15 H ARG 15 10.885 -9.095 1.335 96 HA ARG 15 HA ARG 15 12.428 -10.135 -0.788 97 1HB ARG 15 1HB ARG 15 9.852 -9.572 -0.410 98 2HB ARG 15 2HB ARG 15 10.280 -8.096 -1.278 99 1HG ARG 15 1HG ARG 15 11.224 -9.468 -3.116 100 2HG ARG 15 2HG ARG 15 10.740 -10.930 -2.257 101 1HD ARG 15 1HD ARG 15 8.435 -9.284 -2.342 102 2HD ARG 15 2HD ARG 15 9.133 -9.257 -3.973 103 HE ARG 15 HE ARG 15 9.258 -11.931 -3.000 104 1HH1 ARG 15 1HH1 ARG 15 6.986 -9.513 -3.962 105 2HH1 ARG 15 2HH1 ARG 15 5.808 -10.656 -4.512 106 1HH2 ARG 15 1HH2 ARG 15 7.724 -13.432 -3.714 107 2HH2 ARG 15 2HH2 ARG 15 6.224 -12.870 -4.372 108 H ILE 16 H ILE 16 11.739 -6.723 0.041 109 HA ILE 16 HA ILE 16 13.183 -5.492 -2.074 110 HB ILE 16 HB ILE 16 12.549 -4.742 0.790 111 1HG1 ILE 16 1HG1 ILE 16 11.483 -3.564 -1.783 112 2HG1 ILE 16 2HG1 ILE 16 10.764 -5.000 -1.054 113 1HG2 ILE 16 1HG2 ILE 16 14.445 -3.504 -0.999 114 2HG2 ILE 16 2HG2 ILE 16 13.085 -2.416 -0.727 115 3HG2 ILE 16 3HG2 ILE 16 14.007 -3.035 0.643 116 1HD1 ILE 16 1HD1 ILE 16 11.239 -2.608 0.682 117 2HD1 ILE 16 2HD1 ILE 16 9.870 -2.583 -0.429 118 3HD1 ILE 16 3HD1 ILE 16 9.986 -3.843 0.800 119 H LEU 17 H LEU 17 14.254 -6.535 1.168 120 HA LEU 17 HA LEU 17 16.971 -5.638 0.931 121 1HB LEU 17 1HB LEU 17 15.264 -7.228 2.685 122 2HB LEU 17 2HB LEU 17 16.898 -7.888 2.599 123 HG LEU 17 HG LEU 17 17.793 -5.598 3.074 124 1HD1 LEU 17 1HD1 LEU 17 14.843 -5.002 3.453 125 2HD1 LEU 17 2HD1 LEU 17 16.143 -3.946 4.007 126 3HD1 LEU 17 3HD1 LEU 17 15.931 -4.254 2.284 127 1HD2 LEU 17 1HD2 LEU 17 16.892 -7.472 4.820 128 2HD2 LEU 17 2HD2 LEU 17 17.671 -5.974 5.331 129 3HD2 LEU 17 3HD2 LEU 17 15.912 -6.093 5.317 130 H ALA 18 H ALA 18 15.366 -8.722 0.149 131 HA ALA 18 HA ALA 18 17.834 -10.046 -0.678 132 1HB ALA 18 1HB ALA 18 15.020 -10.812 -1.451 133 2HB ALA 18 2HB ALA 18 16.385 -11.869 -1.082 134 3HB ALA 18 3HB ALA 18 15.574 -10.988 0.214 135 H SER 19 H SER 19 16.068 -7.583 -2.073 136 HA SER 19 HA SER 19 16.196 -6.634 -4.242 137 1HB SER 19 1HB SER 19 18.525 -7.961 -3.859 138 2HB SER 19 2HB SER 19 17.887 -8.880 -5.219 139 HG SER 19 HG SER 19 17.433 -6.516 -5.964 140 H ASP 20 H ASP 20 13.881 -7.811 -3.973 141 HA ASP 20 HA ASP 20 12.159 -9.027 -5.047 142 1HB ASP 20 1HB ASP 20 14.113 -8.648 -7.341 143 2HB ASP 20 2HB ASP 20 12.386 -8.971 -7.501 144 H LYS 21 H LYS 21 13.514 -10.807 -3.600 145 HA LYS 21 HA LYS 21 13.765 -13.162 -5.405 146 1HB LYS 21 1HB LYS 21 15.815 -12.125 -3.425 147 2HB LYS 21 2HB LYS 21 15.881 -13.741 -4.128 148 1HG LYS 21 1HG LYS 21 15.566 -12.287 -6.384 149 2HG LYS 21 2HG LYS 21 16.417 -11.106 -5.390 150 1HD LYS 21 1HD LYS 21 17.699 -13.621 -5.009 151 2HD LYS 21 2HD LYS 21 17.498 -13.384 -6.745 152 1HE LYS 21 1HE LYS 21 18.399 -10.979 -6.307 153 2HE LYS 21 2HE LYS 21 18.989 -11.652 -4.774 154 1HZ LYS 21 1HZ LYS 21 19.411 -13.284 -7.143 155 2HZ LYS 21 2HZ LYS 21 20.338 -11.863 -7.057 156 3HZ LYS 21 3HZ LYS 21 20.433 -13.019 -5.816 157 HA PRO 22 HA PRO 22 11.452 -14.885 -2.082 158 1HB PRO 22 1HB PRO 22 11.936 -17.564 -2.607 159 2HB PRO 22 2HB PRO 22 10.708 -16.588 -3.436 160 1HG PRO 22 1HG PRO 22 13.425 -17.374 -4.336 161 2HG PRO 22 2HG PRO 22 11.931 -17.194 -5.269 162 1HD PRO 22 1HD PRO 22 13.911 -15.353 -5.309 163 2HD PRO 22 2HD PRO 22 12.197 -14.929 -5.515 164 H TYR 23 H TYR 23 14.792 -15.029 -2.457 165 HA TYR 23 HA TYR 23 15.126 -15.952 0.358 166 1HB TYR 23 1HB TYR 23 16.972 -17.440 -0.409 167 2HB TYR 23 2HB TYR 23 15.424 -17.904 -1.118 168 HD1 TYR 23 HD1 TYR 23 15.162 -18.006 -3.457 169 HD2 TYR 23 HD2 TYR 23 18.486 -15.865 -1.782 170 HE1 TYR 23 HE1 TYR 23 16.105 -17.694 -5.728 171 HE2 TYR 23 HE2 TYR 23 19.431 -15.552 -4.053 172 HH TYR 23 HH TYR 23 18.202 -15.515 -6.561 173 H ILE 24 H ILE 24 17.292 -15.301 1.207 174 HA ILE 24 HA ILE 24 18.642 -13.174 -0.407 175 HB ILE 24 HB ILE 24 16.953 -12.149 1.064 176 1HG1 ILE 24 1HG1 ILE 24 19.772 -11.791 2.136 177 2HG1 ILE 24 2HG1 ILE 24 19.119 -10.982 0.711 178 1HG2 ILE 24 1HG2 ILE 24 18.370 -13.817 3.144 179 2HG2 ILE 24 2HG2 ILE 24 17.440 -12.387 3.593 180 3HG2 ILE 24 3HG2 ILE 24 16.644 -13.740 2.789 181 1HD1 ILE 24 1HD1 ILE 24 17.286 -10.063 2.205 182 2HD1 ILE 24 2HD1 ILE 24 18.200 -10.681 3.580 183 3HD1 ILE 24 3HD1 ILE 24 18.902 -9.441 2.542 184 H LEU 25 H LEU 25 20.861 -12.830 0.225 185 HA LEU 25 HA LEU 25 22.107 -15.181 1.510 186 1HB LEU 25 1HB LEU 25 23.175 -12.694 0.133 187 2HB LEU 25 2HB LEU 25 24.178 -14.038 0.676 188 HG LEU 25 HG LEU 25 22.057 -15.175 -0.815 189 1HD1 LEU 25 1HD1 LEU 25 23.348 -12.788 -2.171 190 2HD1 LEU 25 2HD1 LEU 25 22.435 -14.037 -3.016 191 3HD1 LEU 25 3HD1 LEU 25 21.630 -13.006 -1.834 192 1HD2 LEU 25 1HD2 LEU 25 24.462 -15.918 -0.548 193 2HD2 LEU 25 2HD2 LEU 25 23.861 -15.983 -2.205 194 3HD2 LEU 25 3HD2 LEU 25 24.911 -14.659 -1.700 195 H ALA 26 H ALA 26 23.620 -14.914 3.300 196 HA ALA 26 HA ALA 26 22.702 -13.188 5.399 197 1HB ALA 26 1HB ALA 26 25.217 -14.814 4.938 198 2HB ALA 26 2HB ALA 26 23.792 -15.287 5.862 199 3HB ALA 26 3HB ALA 26 24.856 -14.019 6.470 200 H GLU 27 H GLU 27 25.513 -12.987 3.205 201 HA GLU 27 HA GLU 27 26.782 -10.718 4.322 202 1HB GLU 27 1HB GLU 27 27.641 -12.207 2.538 203 2HB GLU 27 2HB GLU 27 26.461 -11.531 1.416 204 1HG GLU 27 1HG GLU 27 27.468 -9.249 1.925 205 2HG GLU 27 2HG GLU 27 28.773 -10.103 2.749 206 H GLU 28 H GLU 28 24.093 -10.910 1.981 207 HA GLU 28 HA GLU 28 23.893 -8.060 1.538 208 1HB GLU 28 1HB GLU 28 22.643 -10.511 0.731 209 2HB GLU 28 2HB GLU 28 21.377 -9.398 1.249 210 1HG GLU 28 1HG GLU 28 22.347 -7.647 -0.227 211 2HG GLU 28 2HG GLU 28 23.543 -8.815 -0.792 212 H LEU 29 H LEU 29 22.325 -10.347 3.757 213 HA LEU 29 HA LEU 29 20.540 -8.472 5.006 214 1HB LEU 29 1HB LEU 29 19.993 -10.701 5.344 215 2HB LEU 29 2HB LEU 29 21.673 -11.204 5.452 216 HG LEU 29 HG LEU 29 21.797 -10.073 7.689 217 1HD1 LEU 29 1HD1 LEU 29 18.859 -9.699 7.094 218 2HD1 LEU 29 2HD1 LEU 29 19.467 -9.733 8.750 219 3HD1 LEU 29 3HD1 LEU 29 20.029 -8.492 7.629 220 1HD2 LEU 29 1HD2 LEU 29 21.149 -12.564 7.185 221 2HD2 LEU 29 2HD2 LEU 29 20.932 -11.937 8.819 222 3HD2 LEU 29 3HD2 LEU 29 19.548 -12.071 7.736 223 H ARG 30 H ARG 30 23.845 -9.573 5.675 224 HA ARG 30 HA ARG 30 24.184 -8.203 8.183 225 1HB ARG 30 1HB ARG 30 25.514 -10.090 6.913 226 2HB ARG 30 2HB ARG 30 26.404 -8.730 6.226 227 1HG ARG 30 1HG ARG 30 26.990 -7.932 8.453 228 2HG ARG 30 2HG ARG 30 26.003 -9.192 9.196 229 1HD ARG 30 1HD ARG 30 28.160 -10.009 7.270 230 2HD ARG 30 2HD ARG 30 28.606 -9.575 8.931 231 HE ARG 30 HE ARG 30 26.466 -11.220 9.345 232 1HH1 ARG 30 1HH1 ARG 30 29.303 -11.465 7.388 233 2HH1 ARG 30 2HH1 ARG 30 29.374 -13.192 7.483 234 1HH2 ARG 30 1HH2 ARG 30 26.552 -13.471 9.476 235 2HH2 ARG 30 2HH2 ARG 30 27.820 -14.327 8.663 236 H ARG 31 H ARG 31 24.690 -7.219 4.809 237 HA ARG 31 HA ARG 31 25.864 -4.630 5.632 238 1HB ARG 31 1HB ARG 31 25.942 -6.390 3.408 239 2HB ARG 31 2HB ARG 31 25.236 -4.878 2.832 240 1HG ARG 31 1HG ARG 31 27.237 -3.853 2.908 241 2HG ARG 31 2HG ARG 31 27.458 -4.322 4.594 242 1HD ARG 31 1HD ARG 31 29.019 -5.832 3.958 243 2HD ARG 31 2HD ARG 31 27.804 -6.659 2.961 244 HE ARG 31 HE ARG 31 28.761 -5.602 1.086 245 1HH1 ARG 31 1HH1 ARG 31 29.382 -3.832 3.987 246 2HH1 ARG 31 2HH1 ARG 31 30.348 -2.631 3.199 247 1HH2 ARG 31 1HH2 ARG 31 30.020 -4.041 0.050 248 2HH2 ARG 31 2HH2 ARG 31 30.713 -2.750 0.975 249 H GLU 32 H GLU 32 22.753 -5.922 4.729 250 HA GLU 32 HA GLU 32 21.683 -3.237 4.054 251 1HB GLU 32 1HB GLU 32 20.725 -6.092 3.932 252 2HB GLU 32 2HB GLU 32 19.590 -4.756 3.727 253 1HG GLU 32 1HG GLU 32 20.952 -3.860 1.885 254 2HG GLU 32 2HG GLU 32 22.112 -5.172 2.094 255 H LEU 33 H LEU 33 21.835 -5.428 6.748 256 HA LEU 33 HA LEU 33 19.782 -3.777 8.183 257 1HB LEU 33 1HB LEU 33 20.304 -6.662 7.878 258 2HB LEU 33 2HB LEU 33 19.999 -6.159 9.538 259 HG LEU 33 HG LEU 33 18.221 -5.420 7.200 260 1HD1 LEU 33 1HD1 LEU 33 18.209 -7.753 9.094 261 2HD1 LEU 33 2HD1 LEU 33 16.677 -7.102 8.509 262 3HD1 LEU 33 3HD1 LEU 33 17.866 -7.722 7.363 263 1HD2 LEU 33 1HD2 LEU 33 17.972 -5.170 10.210 264 2HD2 LEU 33 2HD2 LEU 33 18.016 -3.859 9.030 265 3HD2 LEU 33 3HD2 LEU 33 16.620 -4.937 9.102 266 HA PRO 34 HA PRO 34 22.872 -2.746 11.101 267 1HB PRO 34 1HB PRO 34 20.938 -3.334 13.288 268 2HB PRO 34 2HB PRO 34 21.798 -1.826 12.920 269 1HG PRO 34 1HG PRO 34 19.194 -2.131 12.405 270 2HG PRO 34 2HG PRO 34 20.255 -1.164 11.370 271 1HD PRO 34 1HD PRO 34 19.090 -3.847 10.889 272 2HD PRO 34 2HD PRO 34 19.506 -2.565 9.733 273 HA PRO 35 HA PRO 35 24.963 -6.393 12.323 274 1HB PRO 35 1HB PRO 35 25.490 -5.228 14.978 275 2HB PRO 35 2HB PRO 35 26.639 -5.711 13.717 276 1HG PRO 35 1HG PRO 35 26.149 -3.137 14.334 277 2HG PRO 35 2HG PRO 35 26.597 -3.672 12.707 278 1HD PRO 35 1HD PRO 35 23.932 -2.877 13.769 279 2HD PRO 35 2HD PRO 35 24.633 -2.628 12.154 280 H ASP 36 H ASP 36 22.840 -4.848 14.744 281 HA ASP 36 HA ASP 36 22.365 -7.171 16.344 282 1HB ASP 36 1HB ASP 36 21.042 -4.538 15.793 283 2HB ASP 36 2HB ASP 36 20.158 -5.740 16.736 284 H GLN 37 H GLN 37 20.490 -5.801 13.611 285 HA GLN 37 HA GLN 37 18.497 -7.892 13.610 286 1HB GLN 37 1HB GLN 37 19.418 -5.668 11.825 287 2HB GLN 37 2HB GLN 37 18.318 -6.874 11.158 288 1HG GLN 37 1HG GLN 37 17.008 -5.042 12.085 289 2HG GLN 37 2HG GLN 37 16.781 -6.474 13.090 290 2HE2 GLN 37 2HE2 GLN 37 16.331 -5.219 15.031 291 1HE2 GLN 37 1HE2 GLN 37 17.546 -4.333 15.818 292 H ALA 38 H ALA 38 21.507 -7.375 11.768 293 HA ALA 38 HA ALA 38 21.279 -9.548 9.954 294 1HB ALA 38 1HB ALA 38 23.744 -8.404 11.308 295 2HB ALA 38 2HB ALA 38 23.709 -9.262 9.767 296 3HB ALA 38 3HB ALA 38 22.938 -7.683 9.915 297 H GLN 39 H GLN 39 22.823 -9.444 13.188 298 HA GLN 39 HA GLN 39 23.653 -12.172 13.265 299 1HB GLN 39 1HB GLN 39 24.299 -10.228 14.764 300 2HB GLN 39 2HB GLN 39 22.742 -10.426 15.571 301 1HG GLN 39 1HG GLN 39 24.474 -11.640 16.807 302 2HG GLN 39 2HG GLN 39 23.337 -12.784 16.091 303 2HE2 GLN 39 2HE2 GLN 39 25.041 -14.462 16.073 304 1HE2 GLN 39 1HE2 GLN 39 26.286 -14.413 14.919 305 H TYR 40 H TYR 40 20.680 -10.642 14.564 306 HA TYR 40 HA TYR 40 19.499 -13.082 15.514 307 1HB TYR 40 1HB TYR 40 18.993 -10.324 15.512 308 2HB TYR 40 2HB TYR 40 17.622 -11.025 14.651 309 HD1 TYR 40 HD1 TYR 40 19.523 -11.041 17.829 310 HD2 TYR 40 HD2 TYR 40 16.030 -12.456 15.767 311 HE1 TYR 40 HE1 TYR 40 18.566 -11.815 19.982 312 HE2 TYR 40 HE2 TYR 40 15.073 -13.230 17.921 313 HH TYR 40 HH TYR 40 16.382 -13.947 20.360 314 H CYS 41 H CYS 41 19.157 -11.284 12.444 315 HA CYS 41 HA CYS 41 17.144 -12.954 11.279 316 1HB CYS 41 1HB CYS 41 19.274 -11.061 10.313 317 2HB CYS 41 2HB CYS 41 18.322 -11.973 9.140 318 HG CYS 41 HG CYS 41 17.250 -9.718 10.954 319 H ILE 42 H ILE 42 20.713 -13.017 10.948 320 HA ILE 42 HA ILE 42 20.862 -15.277 9.216 321 HB ILE 42 HB ILE 42 22.638 -13.816 11.138 322 1HG1 ILE 42 1HG1 ILE 42 23.647 -14.431 8.480 323 2HG1 ILE 42 2HG1 ILE 42 22.040 -13.707 8.402 324 1HG2 ILE 42 1HG2 ILE 42 23.114 -16.576 10.068 325 2HG2 ILE 42 2HG2 ILE 42 24.475 -15.458 10.165 326 3HG2 ILE 42 3HG2 ILE 42 23.579 -15.886 11.622 327 1HD1 ILE 42 1HD1 ILE 42 23.708 -12.362 10.368 328 2HD1 ILE 42 2HD1 ILE 42 24.456 -12.344 8.772 329 3HD1 ILE 42 3HD1 ILE 42 22.836 -11.683 8.994 330 H LYS 43 H LYS 43 20.184 -15.043 12.626 331 HA LYS 43 HA LYS 43 20.913 -17.819 13.238 332 1HB LYS 43 1HB LYS 43 20.802 -15.643 14.720 333 2HB LYS 43 2HB LYS 43 19.101 -16.076 14.887 334 1HG LYS 43 1HG LYS 43 19.569 -17.809 16.264 335 2HG LYS 43 2HG LYS 43 20.899 -18.361 15.247 336 1HD LYS 43 1HD LYS 43 22.412 -16.756 16.221 337 2HD LYS 43 2HD LYS 43 21.095 -15.965 17.089 338 1HE LYS 43 1HE LYS 43 20.745 -17.949 18.470 339 2HE LYS 43 2HE LYS 43 21.965 -18.843 17.540 340 1HZ LYS 43 1HZ LYS 43 23.542 -17.010 18.103 341 2HZ LYS 43 2HZ LYS 43 22.381 -16.411 19.190 342 3HZ LYS 43 3HZ LYS 43 23.057 -17.947 19.435 343 H ARG 44 H ARG 44 17.916 -15.991 12.616 344 HA ARG 44 HA ARG 44 16.174 -18.293 13.043 345 1HB ARG 44 1HB ARG 44 15.938 -15.488 11.964 346 2HB ARG 44 2HB ARG 44 14.572 -16.601 11.860 347 1HG ARG 44 1HG ARG 44 16.014 -15.729 14.381 348 2HG ARG 44 2HG ARG 44 14.362 -15.323 13.914 349 1HD ARG 44 1HD ARG 44 13.904 -17.854 13.894 350 2HD ARG 44 2HD ARG 44 15.450 -18.022 14.749 351 HE ARG 44 HE ARG 44 13.006 -16.906 15.874 352 1HH1 ARG 44 1HH1 ARG 44 16.460 -16.827 15.860 353 2HH1 ARG 44 2HH1 ARG 44 16.581 -16.229 17.481 354 1HH2 ARG 44 1HH2 ARG 44 13.152 -16.123 17.985 355 2HH2 ARG 44 2HH2 ARG 44 14.710 -15.830 18.683 356 H MET 45 H MET 45 16.702 -16.334 10.086 357 HA MET 45 HA MET 45 15.671 -17.730 8.052 358 1HB MET 45 1HB MET 45 18.222 -16.317 8.528 359 2HB MET 45 2HB MET 45 18.183 -17.312 7.076 360 1HG MET 45 1HG MET 45 17.305 -15.342 6.235 361 2HG MET 45 2HG MET 45 15.825 -16.148 6.746 362 1HE MET 45 1HE MET 45 16.364 -13.490 6.004 363 2HE MET 45 2HE MET 45 15.110 -12.761 7.016 364 3HE MET 45 3HE MET 45 16.786 -12.246 7.177 365 HA PRO 46 HA PRO 46 17.653 -21.712 8.546 366 1HB PRO 46 1HB PRO 46 15.546 -23.180 7.488 367 2HB PRO 46 2HB PRO 46 15.692 -22.720 9.194 368 1HG PRO 46 1HG PRO 46 14.065 -21.498 7.037 369 2HG PRO 46 2HG PRO 46 13.700 -21.694 8.758 370 1HD PRO 46 1HD PRO 46 14.453 -19.331 7.680 371 2HD PRO 46 2HD PRO 46 14.834 -19.791 9.353 372 H ALA 47 H ALA 47 17.091 -23.731 6.605 373 HA ALA 47 HA ALA 47 18.584 -22.644 4.309 374 1HB ALA 47 1HB ALA 47 18.690 -24.959 5.661 375 2HB ALA 47 2HB ALA 47 17.520 -25.435 4.431 376 3HB ALA 47 3HB ALA 47 19.120 -24.869 3.953 377 H TYR 48 H TYR 48 17.569 -21.904 2.504 378 HA TYR 48 HA TYR 48 14.710 -21.990 2.156 379 1HB TYR 48 1HB TYR 48 15.846 -20.163 1.219 380 2HB TYR 48 2HB TYR 48 17.132 -21.175 0.566 381 HD1 TYR 48 HD1 TYR 48 17.105 -20.757 -1.748 382 HD2 TYR 48 HD2 TYR 48 13.425 -21.604 0.298 383 HE1 TYR 48 HE1 TYR 48 15.924 -20.866 -3.923 384 HE2 TYR 48 HE2 TYR 48 12.241 -21.712 -1.879 385 HH TYR 48 HH TYR 48 12.500 -20.915 -4.153 386 H SER 49 H SER 49 13.471 -23.523 1.129 387 HA SER 49 HA SER 49 12.910 -25.477 -0.075 388 1HB SER 49 1HB SER 49 15.063 -24.071 -1.450 389 2HB SER 49 2HB SER 49 15.095 -25.800 -1.786 390 HG SER 49 HG SER 49 12.933 -23.988 -2.107 391 H GLY 50 H GLY 50 13.507 -27.764 -0.236 392 1HA GLY 50 1HA GLY 50 14.315 -29.650 0.963 393 2HA GLY 50 2HA GLY 50 15.355 -28.575 1.897 394 HA PRO 51 HA PRO 51 17.880 -30.313 -1.514 395 1HB PRO 51 1HB PRO 51 16.691 -31.552 -3.686 396 2HB PRO 51 2HB PRO 51 16.961 -32.332 -2.115 397 1HG PRO 51 1HG PRO 51 14.486 -31.140 -3.236 398 2HG PRO 51 2HG PRO 51 14.691 -32.564 -2.205 399 1HD PRO 51 1HD PRO 51 13.805 -30.183 -1.267 400 2HD PRO 51 2HD PRO 51 14.735 -31.328 -0.276 401 H GLY 52 H GLY 52 16.421 -27.682 -1.994 402 1HA GLY 52 1HA GLY 52 15.943 -26.661 -4.374 403 2HA GLY 52 2HA GLY 52 17.606 -27.169 -4.675 404 H SER 53 H SER 53 18.392 -25.072 -4.913 405 HA SER 53 HA SER 53 18.285 -22.659 -4.042 406 1HB SER 53 1HB SER 53 17.506 -23.292 -1.843 407 2HB SER 53 2HB SER 53 18.944 -24.263 -1.556 408 HG SER 53 HG SER 53 19.234 -22.271 -0.585 409 H VAL 54 H VAL 54 20.558 -21.880 -2.679 410 HA VAL 54 HA VAL 54 22.801 -23.345 -4.019 411 HB VAL 54 HB VAL 54 23.682 -21.003 -4.537 412 1HG1 VAL 54 1HG1 VAL 54 21.530 -22.514 -5.797 413 2HG1 VAL 54 2HG1 VAL 54 21.444 -20.797 -6.192 414 3HG1 VAL 54 3HG1 VAL 54 22.914 -21.709 -6.538 415 1HG2 VAL 54 1HG2 VAL 54 21.718 -20.180 -2.837 416 2HG2 VAL 54 2HG2 VAL 54 22.431 -19.144 -4.074 417 3HG2 VAL 54 3HG2 VAL 54 20.906 -19.972 -4.388 418 HA PRO 55 HA PRO 55 24.847 -23.010 -0.173 419 1HB PRO 55 1HB PRO 55 27.417 -22.316 -0.998 420 2HB PRO 55 2HB PRO 55 26.781 -23.970 -0.936 421 1HG PRO 55 1HG PRO 55 27.082 -22.146 -3.252 422 2HG PRO 55 2HG PRO 55 27.246 -23.906 -3.167 423 1HD PRO 55 1HD PRO 55 25.080 -22.691 -4.229 424 2HD PRO 55 2HD PRO 55 24.992 -24.261 -3.402 425 H GLY 56 H GLY 56 23.947 -21.146 0.778 426 1HA GLY 56 1HA GLY 56 25.287 -18.555 0.108 427 2HA GLY 56 2HA GLY 56 24.932 -19.023 1.772 428 H ALA 57 H ALA 57 22.376 -20.251 0.269 429 HA ALA 57 HA ALA 57 20.856 -17.685 0.055 430 1HB ALA 57 1HB ALA 57 20.569 -20.492 -0.997 431 2HB ALA 57 2HB ALA 57 19.164 -19.427 -0.944 432 3HB ALA 57 3HB ALA 57 20.581 -18.973 -1.891 433 H LEU 58 H LEU 58 19.720 -17.141 1.865 434 HA LEU 58 HA LEU 58 18.765 -19.335 3.675 435 1HB LEU 58 1HB LEU 58 19.524 -16.432 4.119 436 2HB LEU 58 2HB LEU 58 18.807 -17.448 5.366 437 HG LEU 58 HG LEU 58 21.179 -17.550 5.696 438 1HD1 LEU 58 1HD1 LEU 58 19.829 -19.732 5.673 439 2HD1 LEU 58 2HD1 LEU 58 20.547 -20.032 4.091 440 3HD1 LEU 58 3HD1 LEU 58 21.578 -19.890 5.514 441 1HD2 LEU 58 1HD2 LEU 58 21.342 -16.978 3.010 442 2HD2 LEU 58 2HD2 LEU 58 22.709 -17.454 4.017 443 3HD2 LEU 58 3HD2 LEU 58 21.861 -18.663 3.053 444 H ASP 59 H ASP 59 16.612 -18.928 4.692 445 HA ASP 59 HA ASP 59 14.827 -17.380 2.844 446 1HB ASP 59 1HB ASP 59 14.662 -19.937 3.310 447 2HB ASP 59 2HB ASP 59 13.973 -19.456 4.854 448 H TYR 60 H TYR 60 14.441 -15.371 3.735 449 HA TYR 60 HA TYR 60 14.427 -14.851 6.599 450 1HB TYR 60 1HB TYR 60 13.652 -12.624 5.799 451 2HB TYR 60 2HB TYR 60 15.007 -13.195 4.826 452 HD1 TYR 60 HD1 TYR 60 14.790 -13.517 2.495 453 HD2 TYR 60 HD2 TYR 60 11.282 -13.022 4.923 454 HE1 TYR 60 HE1 TYR 60 13.395 -13.374 0.449 455 HE2 TYR 60 HE2 TYR 60 9.886 -12.878 2.877 456 HH TYR 60 HH TYR 60 11.210 -13.544 -0.298 457 H ALA 61 H ALA 61 12.118 -15.873 4.191 458 HA ALA 61 HA ALA 61 9.651 -15.084 5.326 459 1HB ALA 61 1HB ALA 61 10.540 -16.548 3.186 460 2HB ALA 61 2HB ALA 61 8.847 -16.440 3.667 461 3HB ALA 61 3HB ALA 61 9.825 -17.811 4.189 462 H ALA 62 H ALA 62 11.712 -17.920 6.039 463 HA ALA 62 HA ALA 62 9.979 -19.268 7.829 464 1HB ALA 62 1HB ALA 62 12.792 -19.233 8.629 465 2HB ALA 62 2HB ALA 62 12.594 -19.456 6.891 466 3HB ALA 62 3HB ALA 62 11.827 -20.576 8.017 467 H PHE 63 H PHE 63 12.011 -16.458 8.284 468 HA PHE 63 HA PHE 63 11.932 -16.301 11.149 469 1HB PHE 63 1HB PHE 63 13.398 -15.108 9.391 470 2HB PHE 63 2HB PHE 63 12.050 -13.986 9.208 471 HD1 PHE 63 HD1 PHE 63 11.004 -13.351 11.709 472 HD2 PHE 63 HD2 PHE 63 15.081 -14.335 10.783 473 HE1 PHE 63 HE1 PHE 63 11.756 -12.128 13.728 474 HE2 PHE 63 HE2 PHE 63 15.834 -13.111 12.804 475 HZ PHE 63 HZ PHE 63 14.171 -12.008 14.276 476 H SER 64 H SER 64 9.918 -14.711 8.645 477 HA SER 64 HA SER 64 8.245 -13.195 10.337 478 1HB SER 64 1HB SER 64 8.438 -13.209 7.809 479 2HB SER 64 2HB SER 64 7.444 -14.663 7.808 480 HG SER 64 HG SER 64 5.799 -13.381 7.970 481 H SER 65 H SER 65 7.738 -16.545 9.160 482 HA SER 65 HA SER 65 5.251 -16.961 10.526 483 1HB SER 65 1HB SER 65 7.192 -19.183 10.022 484 2HB SER 65 2HB SER 65 5.468 -19.104 9.666 485 HG SER 65 HG SER 65 6.826 -18.942 7.793 486 H ALA 66 H ALA 66 8.631 -17.580 11.481 487 HA ALA 66 HA ALA 66 7.917 -18.862 13.995 488 1HB ALA 66 1HB ALA 66 10.229 -19.103 14.199 489 2HB ALA 66 2HB ALA 66 10.557 -17.550 13.430 490 3HB ALA 66 3HB ALA 66 10.062 -18.932 12.452 491 H LEU 67 H LEU 67 8.639 -15.554 12.974 492 HA LEU 67 HA LEU 67 8.933 -14.521 15.689 493 1HB LEU 67 1HB LEU 67 10.048 -13.190 14.191 494 2HB LEU 67 2HB LEU 67 8.978 -13.614 12.865 495 HG LEU 67 HG LEU 67 7.256 -12.111 13.769 496 1HD1 LEU 67 1HD1 LEU 67 8.124 -12.390 16.170 497 2HD1 LEU 67 2HD1 LEU 67 9.330 -11.171 15.757 498 3HD1 LEU 67 3HD1 LEU 67 7.614 -10.768 15.705 499 1HD2 LEU 67 1HD2 LEU 67 9.470 -11.401 12.376 500 2HD2 LEU 67 2HD2 LEU 67 8.192 -10.259 12.791 501 3HD2 LEU 67 3HD2 LEU 67 9.649 -10.351 13.781 502 H TYR 68 H TYR 68 6.413 -14.430 13.175 503 HA TYR 68 HA TYR 68 4.485 -13.243 15.103 504 1HB TYR 68 1HB TYR 68 4.680 -13.677 12.134 505 2HB TYR 68 2HB TYR 68 3.108 -13.343 12.860 506 HD1 TYR 68 HD1 TYR 68 5.699 -11.789 11.238 507 HD2 TYR 68 HD2 TYR 68 3.402 -11.409 14.847 508 HE1 TYR 68 HE1 TYR 68 6.256 -9.375 11.339 509 HE2 TYR 68 HE2 TYR 68 3.959 -8.995 14.948 510 HH TYR 68 HH TYR 68 6.397 -7.607 13.366 511 H GLY 69 H GLY 69 5.541 -16.261 14.641 512 1HA GLY 69 1HA GLY 69 4.449 -18.396 14.411 513 2HA GLY 69 2HA GLY 69 2.890 -17.571 14.417 514 H GLU 70 H GLU 70 3.903 -19.838 16.104 515 HA GLU 70 HA GLU 70 3.667 -18.548 18.801 516 1HB GLU 70 1HB GLU 70 2.203 -20.523 19.348 517 2HB GLU 70 2HB GLU 70 1.524 -19.469 18.108 518 1HG GLU 70 1HG GLU 70 2.440 -20.980 16.358 519 2HG GLU 70 2HG GLU 70 3.031 -22.055 17.625 520 H SER 71 H SER 71 3.940 -20.761 20.381 521 HA SER 71 HA SER 71 5.538 -22.275 21.243 522 1HB SER 71 1HB SER 71 5.122 -22.788 18.478 523 2HB SER 71 2HB SER 71 6.852 -22.941 18.769 524 HG SER 71 HG SER 71 5.224 -24.788 19.207 525 H ASP 72 H ASP 72 7.761 -22.240 21.869 526 HA ASP 72 HA ASP 72 9.263 -19.833 20.927 527 1HB ASP 72 1HB ASP 72 8.544 -20.422 23.387 528 2HB ASP 72 2HB ASP 72 9.925 -21.518 23.333 529 H LEU 73 H LEU 73 11.005 -20.197 19.614 530 HA LEU 73 HA LEU 73 11.992 -22.950 19.203 531 1HB LEU 73 1HB LEU 73 12.427 -20.234 17.950 532 2HB LEU 73 2HB LEU 73 13.400 -21.627 17.479 533 HG LEU 73 HG LEU 73 10.372 -21.627 17.454 534 1HD1 LEU 73 1HD1 LEU 73 11.799 -20.044 15.823 535 2HD1 LEU 73 2HD1 LEU 73 11.971 -21.558 14.938 536 3HD1 LEU 73 3HD1 LEU 73 10.365 -20.908 15.266 537 1HD2 LEU 73 1HD2 LEU 73 12.229 -23.699 17.370 538 2HD2 LEU 73 2HD2 LEU 73 10.555 -23.794 16.823 539 3HD2 LEU 73 3HD2 LEU 73 11.840 -23.426 15.673 540 H GLY 7 H GLY 7 13.667 6.174 0.617 541 1HA GLY 7 1HA GLY 7 15.619 4.848 -1.176 542 2HA GLY 7 2HA GLY 7 14.114 5.619 -1.682 543 H LYS 8 H LYS 8 12.385 4.329 0.191 544 HA LYS 8 HA LYS 8 11.044 2.379 0.241 545 1HB LYS 8 1HB LYS 8 12.241 2.562 -2.307 546 2HB LYS 8 2HB LYS 8 12.463 0.886 -1.800 547 1HG LYS 8 1HG LYS 8 10.252 0.424 -1.964 548 2HG LYS 8 2HG LYS 8 9.791 1.941 -1.192 549 1HD LYS 8 1HD LYS 8 8.976 2.005 -3.466 550 2HD LYS 8 2HD LYS 8 10.343 3.114 -3.359 551 1HE LYS 8 1HE LYS 8 11.828 1.502 -4.389 552 2HE LYS 8 2HE LYS 8 10.583 0.239 -4.313 553 1HZ LYS 8 1HZ LYS 8 9.154 1.607 -5.699 554 2HZ LYS 8 2HZ LYS 8 10.346 2.814 -5.781 555 3HZ LYS 8 3HZ LYS 8 10.618 1.298 -6.496 556 H LYS 9 H LYS 9 14.374 1.336 -0.626 557 HA LYS 9 HA LYS 9 14.387 -1.043 0.922 558 1HB LYS 9 1HB LYS 9 16.064 0.299 -0.792 559 2HB LYS 9 2HB LYS 9 16.918 0.469 0.742 560 1HG LYS 9 1HG LYS 9 16.355 -2.107 0.976 561 2HG LYS 9 2HG LYS 9 16.240 -2.020 -0.783 562 1HD LYS 9 1HD LYS 9 18.603 -0.717 0.481 563 2HD LYS 9 2HD LYS 9 18.571 -2.480 0.469 564 1HE LYS 9 1HE LYS 9 18.320 -2.523 -1.948 565 2HE LYS 9 2HE LYS 9 18.151 -0.757 -1.999 566 1HZ LYS 9 1HZ LYS 9 20.368 -0.857 -0.657 567 2HZ LYS 9 2HZ LYS 9 20.528 -2.377 -1.393 568 3HZ LYS 9 3HZ LYS 9 20.392 -0.980 -2.352 569 H ALA 10 H ALA 10 15.620 2.215 1.790 570 HA ALA 10 HA ALA 10 16.476 1.651 4.423 571 1HB ALA 10 1HB ALA 10 16.774 3.916 4.433 572 2HB ALA 10 2HB ALA 10 15.092 4.225 4.002 573 3HB ALA 10 3HB ALA 10 16.264 3.827 2.747 574 H GLU 11 H GLU 11 13.234 2.432 3.190 575 HA GLU 11 HA GLU 11 11.929 2.613 5.753 576 1HB GLU 11 1HB GLU 11 11.057 3.523 3.628 577 2HB GLU 11 2HB GLU 11 10.913 1.888 2.983 578 1HG GLU 11 1HG GLU 11 9.491 1.518 5.204 579 2HG GLU 11 2HG GLU 11 9.254 3.259 5.057 580 H ALA 12 H ALA 12 12.409 -0.061 3.441 581 HA ALA 12 HA ALA 12 10.842 -2.019 4.830 582 1HB ALA 12 1HB ALA 12 13.299 -2.778 3.311 583 2HB ALA 12 2HB ALA 12 12.076 -1.846 2.447 584 3HB ALA 12 3HB ALA 12 11.656 -3.402 3.164 585 H VAL 13 H VAL 13 14.252 -1.046 5.080 586 HA VAL 13 HA VAL 13 15.160 -3.121 6.812 587 HB VAL 13 HB VAL 13 15.970 -0.198 6.647 588 1HG1 VAL 13 1HG1 VAL 13 16.818 -1.899 8.514 589 2HG1 VAL 13 2HG1 VAL 13 17.862 -2.445 7.203 590 3HG1 VAL 13 3HG1 VAL 13 17.927 -0.767 7.739 591 1HG2 VAL 13 1HG2 VAL 13 15.982 -2.189 4.645 592 2HG2 VAL 13 2HG2 VAL 13 16.821 -0.638 4.603 593 3HG2 VAL 13 3HG2 VAL 13 17.648 -2.072 5.211 594 H ALA 14 H ALA 14 13.660 0.042 7.519 595 HA ALA 14 HA ALA 14 13.885 -0.065 10.370 596 1HB ALA 14 1HB ALA 14 13.090 1.737 8.523 597 2HB ALA 14 2HB ALA 14 11.508 1.187 9.079 598 3HB ALA 14 3HB ALA 14 12.654 1.881 10.227 599 H THR 15 H THR 15 11.301 -1.156 8.158 600 HA THR 15 HA THR 15 9.429 -2.002 10.135 601 HB THR 15 HB THR 15 10.038 -3.024 7.342 602 HG1 THR 15 HG1 THR 15 8.169 -1.117 8.295 603 1HG2 THR 15 1HG2 THR 15 8.327 -4.121 9.260 604 2HG2 THR 15 2HG2 THR 15 7.271 -3.155 8.229 605 3HG2 THR 15 3HG2 THR 15 8.278 -4.418 7.522 606 H VAL 16 H VAL 16 12.075 -3.779 8.510 607 HA VAL 16 HA VAL 16 11.571 -6.322 9.741 608 HB VAL 16 HB VAL 16 14.094 -5.012 8.672 609 1HG1 VAL 16 1HG1 VAL 16 13.562 -7.658 9.853 610 2HG1 VAL 16 2HG1 VAL 16 14.340 -7.722 8.272 611 3HG1 VAL 16 3HG1 VAL 16 15.098 -6.831 9.591 612 1HG2 VAL 16 1HG2 VAL 16 11.719 -6.275 7.461 613 2HG2 VAL 16 2HG2 VAL 16 12.893 -5.172 6.744 614 3HG2 VAL 16 3HG2 VAL 16 13.254 -6.894 6.854 615 H VAL 17 H VAL 17 13.648 -3.577 10.675 616 HA VAL 17 HA VAL 17 14.932 -4.766 12.918 617 HB VAL 17 HB VAL 17 14.068 -1.920 12.317 618 1HG1 VAL 17 1HG1 VAL 17 15.899 -3.078 14.422 619 2HG1 VAL 17 2HG1 VAL 17 16.052 -1.409 13.873 620 3HG1 VAL 17 3HG1 VAL 17 14.560 -1.951 14.641 621 1HG2 VAL 17 1HG2 VAL 17 15.710 -3.371 10.815 622 2HG2 VAL 17 2HG2 VAL 17 16.076 -1.684 11.174 623 3HG2 VAL 17 3HG2 VAL 17 16.865 -2.971 12.086 624 H ALA 18 H ALA 18 11.892 -2.873 12.750 625 HA ALA 18 HA ALA 18 11.292 -2.979 15.550 626 1HB ALA 18 1HB ALA 18 10.304 -1.452 13.838 627 2HB ALA 18 2HB ALA 18 9.447 -2.828 13.143 628 3HB ALA 18 3HB ALA 18 9.066 -2.288 14.777 629 H ALA 19 H ALA 19 10.434 -5.137 12.846 630 HA ALA 19 HA ALA 19 8.650 -6.847 14.294 631 1HB ALA 19 1HB ALA 19 8.717 -6.832 11.890 632 2HB ALA 19 2HB ALA 19 10.442 -7.197 11.877 633 3HB ALA 19 3HB ALA 19 9.284 -8.424 12.392 634 H VAL 20 H VAL 20 12.173 -7.014 13.737 635 HA VAL 20 HA VAL 20 12.583 -9.550 15.030 636 HB VAL 20 HB VAL 20 14.414 -7.160 14.641 637 1HG1 VAL 20 1HG1 VAL 20 14.801 -9.719 15.902 638 2HG1 VAL 20 2HG1 VAL 20 15.773 -9.641 14.433 639 3HG1 VAL 20 3HG1 VAL 20 15.966 -8.412 15.684 640 1HG2 VAL 20 1HG2 VAL 20 13.093 -8.661 12.717 641 2HG2 VAL 20 2HG2 VAL 20 14.572 -7.738 12.454 642 3HG2 VAL 20 3HG2 VAL 20 14.662 -9.457 12.835 643 H ASP 21 H ASP 21 12.763 -6.188 16.214 644 HA ASP 21 HA ASP 21 13.717 -6.740 18.842 645 1HB ASP 21 1HB ASP 21 12.870 -4.567 17.278 646 2HB ASP 21 2HB ASP 21 11.800 -4.554 18.680 647 H GLN 22 H GLN 22 10.403 -6.633 17.532 648 HA GLN 22 HA GLN 22 8.927 -6.867 19.927 649 1HB GLN 22 1HB GLN 22 8.524 -6.941 17.158 650 2HB GLN 22 2HB GLN 22 7.901 -8.489 17.730 651 1HG GLN 22 1HG GLN 22 7.177 -6.093 19.335 652 2HG GLN 22 2HG GLN 22 6.418 -6.239 17.749 653 2HE2 GLN 22 2HE2 GLN 22 4.399 -6.561 19.196 654 1HE2 GLN 22 1HE2 GLN 22 4.066 -8.141 19.718 655 H ALA 23 H ALA 23 10.202 -9.496 17.849 656 HA ALA 23 HA ALA 23 9.307 -11.666 19.481 657 1HB ALA 23 1HB ALA 23 9.975 -12.339 17.383 658 2HB ALA 23 2HB ALA 23 11.492 -12.643 18.229 659 3HB ALA 23 3HB ALA 23 11.278 -11.154 17.308 660 H ARG 24 H ARG 24 12.300 -9.742 19.523 661 HA ARG 24 HA ARG 24 13.692 -11.344 21.477 662 1HB ARG 24 1HB ARG 24 14.951 -9.870 20.115 663 2HB ARG 24 2HB ARG 24 13.861 -8.518 20.424 664 1HG ARG 24 1HG ARG 24 14.790 -8.058 22.487 665 2HG ARG 24 2HG ARG 24 15.256 -9.736 22.768 666 1HD ARG 24 1HD ARG 24 17.166 -8.051 22.272 667 2HD ARG 24 2HD ARG 24 17.160 -9.552 21.324 668 HE ARG 24 HE ARG 24 15.542 -7.562 20.019 669 1HH1 ARG 24 1HH1 ARG 24 18.803 -8.459 20.722 670 2HH1 ARG 24 2HH1 ARG 24 19.451 -7.704 19.306 671 1HH2 ARG 24 1HH2 ARG 24 16.378 -6.574 18.168 672 2HH2 ARG 24 2HH2 ARG 24 18.081 -6.637 17.862 673 H VAL 25 H VAL 25 11.717 -8.376 21.743 674 HA VAL 25 HA VAL 25 11.973 -8.202 24.625 675 HB VAL 25 HB VAL 25 9.890 -7.017 22.768 676 1HG1 VAL 25 1HG1 VAL 25 10.073 -6.894 25.510 677 2HG1 VAL 25 2HG1 VAL 25 10.973 -5.459 25.020 678 3HG1 VAL 25 3HG1 VAL 25 9.300 -5.671 24.501 679 1HG2 VAL 25 1HG2 VAL 25 12.738 -6.693 22.784 680 2HG2 VAL 25 2HG2 VAL 25 11.550 -5.840 21.798 681 3HG2 VAL 25 3HG2 VAL 25 12.008 -5.200 23.376 682 H ARG 26 H ARG 26 9.934 -9.998 22.480 683 HA ARG 26 HA ARG 26 8.020 -11.346 22.877 684 1HB ARG 26 1HB ARG 26 10.184 -11.772 24.773 685 2HB ARG 26 2HB ARG 26 8.631 -12.218 25.475 686 1HG ARG 26 1HG ARG 26 8.218 -13.857 23.862 687 2HG ARG 26 2HG ARG 26 9.303 -13.113 22.687 688 1HD ARG 26 1HD ARG 26 10.997 -13.693 24.812 689 2HD ARG 26 2HD ARG 26 9.908 -15.093 24.758 690 HE ARG 26 HE ARG 26 10.529 -14.593 22.091 691 1HH1 ARG 26 1HH1 ARG 26 12.263 -15.201 25.014 692 2HH1 ARG 26 2HH1 ARG 26 13.589 -15.978 24.220 693 1HH2 ARG 26 1HH2 ARG 26 12.256 -15.607 21.042 694 2HH2 ARG 26 2HH2 ARG 26 13.587 -16.209 21.974 695 H GLU 27 H GLU 27 7.371 -8.672 23.394 696 HA GLU 27 HA GLU 27 6.028 -8.653 26.059 697 1HB GLU 27 1HB GLU 27 5.885 -6.268 25.676 698 2HB GLU 27 2HB GLU 27 7.510 -6.778 25.219 699 1HG GLU 27 1HG GLU 27 6.305 -7.116 22.846 700 2HG GLU 27 2HG GLU 27 5.258 -5.854 23.497 701 HA PRO 28 HA PRO 28 2.354 -9.819 23.822 702 1HB PRO 28 1HB PRO 28 0.915 -9.257 26.320 703 2HB PRO 28 2HB PRO 28 1.105 -10.799 25.465 704 1HG PRO 28 1HG PRO 28 2.304 -10.264 27.824 705 2HG PRO 28 2HG PRO 28 2.988 -11.356 26.609 706 1HD PRO 28 1HD PRO 28 3.750 -8.554 27.272 707 2HD PRO 28 2HD PRO 28 4.773 -9.925 26.788 708 H ARG 29 H ARG 29 2.621 -7.686 22.673 709 HA ARG 29 HA ARG 29 1.901 -5.493 22.123 710 1HB ARG 29 1HB ARG 29 -0.448 -6.995 23.268 711 2HB ARG 29 2HB ARG 29 -0.648 -5.343 22.684 712 1HG ARG 29 1HG ARG 29 0.346 -6.042 20.499 713 2HG ARG 29 2HG ARG 29 0.389 -7.704 21.088 714 1HD ARG 29 1HD ARG 29 -2.182 -7.229 21.607 715 2HD ARG 29 2HD ARG 29 -1.972 -6.037 20.308 716 HE ARG 29 HE ARG 29 -1.758 -7.832 18.798 717 1HH1 ARG 29 1HH1 ARG 29 -1.041 -8.805 22.033 718 2HH1 ARG 29 2HH1 ARG 29 -0.847 -10.476 21.624 719 1HH2 ARG 29 1HH2 ARG 29 -1.506 -10.008 18.253 720 2HH2 ARG 29 2HH2 ARG 29 -1.113 -11.158 19.485 No H/Q in entry = 720 Start of MODEL 24 1 H MET 1 H MET 1 0.527 0.178 10.197 2 HA MET 1 HA MET 1 0.096 -0.654 12.697 3 1HB MET 1 1HB MET 1 -0.814 1.484 11.081 4 2HB MET 1 2HB MET 1 -2.220 0.929 11.991 5 1HG MET 1 1HG MET 1 -0.943 1.106 14.090 6 2HG MET 1 2HG MET 1 0.475 1.642 13.188 7 1HE MET 1 1HE MET 1 1.027 3.392 14.117 8 2HE MET 1 2HE MET 1 0.419 5.015 13.799 9 3HE MET 1 3HE MET 1 -0.113 4.149 15.238 10 H ALA 2 H ALA 2 -2.356 -0.768 13.744 11 HA ALA 2 HA ALA 2 -4.154 -2.252 14.152 12 1HB ALA 2 1HB ALA 2 -4.494 -2.703 11.239 13 2HB ALA 2 2HB ALA 2 -5.654 -2.104 12.424 14 3HB ALA 2 3HB ALA 2 -4.447 -1.013 11.742 15 H ASP 3 H ASP 3 -5.012 -4.557 13.303 16 HA ASP 3 HA ASP 3 -2.854 -6.435 13.676 17 1HB ASP 3 1HB ASP 3 -5.215 -6.767 14.359 18 2HB ASP 3 2HB ASP 3 -5.695 -6.791 12.662 19 H THR 4 H THR 4 -5.071 -6.157 10.876 20 HA THR 4 HA THR 4 -4.715 -6.880 8.636 21 HB THR 4 HB THR 4 -3.865 -4.525 8.931 22 HG1 THR 4 HG1 THR 4 -2.830 -4.537 6.958 23 1HG2 THR 4 1HG2 THR 4 -1.314 -6.051 9.408 24 2HG2 THR 4 2HG2 THR 4 -1.277 -4.414 8.756 25 3HG2 THR 4 3HG2 THR 4 -1.993 -4.717 10.338 26 H ASP 5 H ASP 5 -2.092 -7.097 7.363 27 HA ASP 5 HA ASP 5 -1.347 -9.792 8.386 28 1HB ASP 5 1HB ASP 5 -0.866 -8.251 5.820 29 2HB ASP 5 2HB ASP 5 -0.180 -9.847 6.125 30 H THR 6 H THR 6 0.311 -9.725 9.871 31 HA THR 6 HA THR 6 2.333 -7.575 9.783 32 HB THR 6 HB THR 6 2.464 -9.941 11.611 33 HG1 THR 6 HG1 THR 6 0.596 -7.880 12.042 34 1HG2 THR 6 1HG2 THR 6 2.803 -6.946 11.854 35 2HG2 THR 6 2HG2 THR 6 2.812 -8.025 13.249 36 3HG2 THR 6 3HG2 THR 6 4.046 -8.189 11.999 37 H ALA 7 H ALA 7 2.163 -11.103 9.317 38 HA ALA 7 HA ALA 7 4.977 -11.538 8.928 39 1HB ALA 7 1HB ALA 7 2.459 -12.978 8.041 40 2HB ALA 7 2HB ALA 7 4.077 -13.644 7.818 41 3HB ALA 7 3HB ALA 7 3.462 -13.347 9.444 42 H GLU 8 H GLU 8 2.292 -11.030 6.619 43 HA GLU 8 HA GLU 8 3.731 -11.223 4.200 44 1HB GLU 8 1HB GLU 8 1.221 -10.924 4.700 45 2HB GLU 8 2HB GLU 8 1.562 -9.195 4.782 46 1HG GLU 8 1HG GLU 8 2.316 -9.143 2.510 47 2HG GLU 8 2HG GLU 8 2.346 -10.904 2.412 48 H GLN 9 H GLN 9 3.417 -8.498 6.457 49 HA GLN 9 HA GLN 9 4.651 -6.484 4.849 50 1HB GLN 9 1HB GLN 9 3.745 -6.929 7.552 51 2HB GLN 9 2HB GLN 9 5.300 -6.096 7.585 52 1HG GLN 9 1HG GLN 9 2.983 -5.219 5.842 53 2HG GLN 9 2HG GLN 9 3.287 -4.564 7.451 54 2HE2 GLN 9 2HE2 GLN 9 4.488 -4.649 4.128 55 1HE2 GLN 9 1HE2 GLN 9 5.650 -3.428 4.326 56 H VAL 10 H VAL 10 6.069 -8.689 7.298 57 HA VAL 10 HA VAL 10 8.767 -7.820 7.068 58 HB VAL 10 HB VAL 10 7.525 -10.521 7.683 59 1HG1 VAL 10 1HG1 VAL 10 10.288 -9.748 7.341 60 2HG1 VAL 10 2HG1 VAL 10 9.992 -10.201 9.020 61 3HG1 VAL 10 3HG1 VAL 10 9.624 -11.336 7.722 62 1HG2 VAL 10 1HG2 VAL 10 7.687 -8.015 9.094 63 2HG2 VAL 10 2HG2 VAL 10 6.932 -9.521 9.615 64 3HG2 VAL 10 3HG2 VAL 10 8.636 -9.226 9.955 65 H ILE 11 H ILE 11 6.986 -10.340 5.272 66 HA ILE 11 HA ILE 11 9.162 -11.275 3.674 67 HB ILE 11 HB ILE 11 6.172 -11.094 3.171 68 1HG1 ILE 11 1HG1 ILE 11 7.697 -13.558 3.976 69 2HG1 ILE 11 2HG1 ILE 11 7.234 -12.383 5.207 70 1HG2 ILE 11 1HG2 ILE 11 8.375 -12.031 1.511 71 2HG2 ILE 11 2HG2 ILE 11 7.228 -13.325 1.858 72 3HG2 ILE 11 3HG2 ILE 11 6.672 -11.834 1.097 73 1HD1 ILE 11 1HD1 ILE 11 5.170 -13.302 3.236 74 2HD1 ILE 11 2HD1 ILE 11 5.597 -14.361 4.580 75 3HD1 ILE 11 3HD1 ILE 11 4.960 -12.747 4.897 76 H ALA 12 H ALA 12 6.681 -8.770 3.032 77 HA ALA 12 HA ALA 12 7.557 -8.001 0.441 78 1HB ALA 12 1HB ALA 12 6.631 -5.896 2.327 79 2HB ALA 12 2HB ALA 12 5.578 -7.303 2.181 80 3HB ALA 12 3HB ALA 12 5.981 -6.351 0.752 81 H SER 13 H SER 13 8.568 -6.902 3.675 82 HA SER 13 HA SER 13 10.473 -4.937 2.753 83 1HB SER 13 1HB SER 13 11.331 -5.582 5.213 84 2HB SER 13 2HB SER 13 9.856 -4.651 4.967 85 HG SER 13 HG SER 13 10.214 -7.305 5.734 86 H PHE 14 H PHE 14 10.703 -8.378 3.666 87 HA PHE 14 HA PHE 14 13.560 -8.608 3.424 88 1HB PHE 14 1HB PHE 14 11.158 -10.338 3.599 89 2HB PHE 14 2HB PHE 14 12.568 -11.089 2.851 90 HD1 PHE 14 HD1 PHE 14 10.988 -10.943 5.843 91 HD2 PHE 14 HD2 PHE 14 14.860 -10.083 4.193 92 HE1 PHE 14 HE1 PHE 14 12.011 -11.254 8.081 93 HE2 PHE 14 HE2 PHE 14 15.883 -10.394 6.431 94 HZ PHE 14 HZ PHE 14 14.458 -10.980 8.375 95 H ARG 15 H ARG 15 10.889 -9.156 1.115 96 HA ARG 15 HA ARG 15 12.383 -10.119 -1.088 97 1HB ARG 15 1HB ARG 15 9.938 -10.068 -0.965 98 2HB ARG 15 2HB ARG 15 9.952 -8.304 -0.936 99 1HG ARG 15 1HG ARG 15 11.197 -8.444 -3.181 100 2HG ARG 15 2HG ARG 15 10.706 -10.139 -3.215 101 1HD ARG 15 1HD ARG 15 8.687 -7.932 -2.756 102 2HD ARG 15 2HD ARG 15 9.124 -8.474 -4.389 103 HE ARG 15 HE ARG 15 7.551 -9.992 -2.474 104 1HH1 ARG 15 1HH1 ARG 15 9.872 -10.150 -5.027 105 2HH1 ARG 15 2HH1 ARG 15 9.425 -11.751 -5.507 106 1HH2 ARG 15 1HH2 ARG 15 6.960 -12.081 -3.093 107 2HH2 ARG 15 2HH2 ARG 15 7.779 -12.844 -4.414 108 H ILE 16 H ILE 16 11.582 -6.747 -0.194 109 HA ILE 16 HA ILE 16 12.932 -5.457 -2.351 110 HB ILE 16 HB ILE 16 12.184 -4.734 0.486 111 1HG1 ILE 16 1HG1 ILE 16 11.208 -3.752 -2.214 112 2HG1 ILE 16 2HG1 ILE 16 10.418 -5.006 -1.258 113 1HG2 ILE 16 1HG2 ILE 16 13.495 -2.957 -1.594 114 2HG2 ILE 16 2HG2 ILE 16 12.750 -2.377 -0.105 115 3HG2 ILE 16 3HG2 ILE 16 14.174 -3.413 -0.031 116 1HD1 ILE 16 1HD1 ILE 16 10.982 -2.248 -0.154 117 2HD1 ILE 16 2HD1 ILE 16 9.481 -2.641 -0.991 118 3HD1 ILE 16 3HD1 ILE 16 9.902 -3.479 0.501 119 H LEU 17 H LEU 17 14.063 -6.469 0.874 120 HA LEU 17 HA LEU 17 16.707 -5.367 0.693 121 1HB LEU 17 1HB LEU 17 15.199 -7.375 2.294 122 2HB LEU 17 2HB LEU 17 16.958 -7.490 2.355 123 HG LEU 17 HG LEU 17 17.177 -5.262 3.174 124 1HD1 LEU 17 1HD1 LEU 17 14.257 -4.988 2.423 125 2HD1 LEU 17 2HD1 LEU 17 15.099 -3.816 3.435 126 3HD1 LEU 17 3HD1 LEU 17 15.622 -4.082 1.772 127 1HD2 LEU 17 1HD2 LEU 17 16.339 -6.979 4.811 128 2HD2 LEU 17 2HD2 LEU 17 15.893 -5.327 5.236 129 3HD2 LEU 17 3HD2 LEU 17 14.702 -6.402 4.505 130 H ALA 18 H ALA 18 15.352 -8.542 -0.193 131 HA ALA 18 HA ALA 18 17.893 -9.688 -1.004 132 1HB ALA 18 1HB ALA 18 15.062 -10.443 -1.792 133 2HB ALA 18 2HB ALA 18 16.471 -11.502 -1.761 134 3HB ALA 18 3HB ALA 18 15.797 -10.887 -0.252 135 H SER 19 H SER 19 15.982 -7.282 -2.375 136 HA SER 19 HA SER 19 16.123 -6.215 -4.484 137 1HB SER 19 1HB SER 19 18.548 -7.575 -4.022 138 2HB SER 19 2HB SER 19 18.088 -7.991 -5.671 139 HG SER 19 HG SER 19 18.475 -6.006 -6.249 140 H ASP 20 H ASP 20 13.992 -7.796 -4.353 141 HA ASP 20 HA ASP 20 12.473 -8.994 -5.716 142 1HB ASP 20 1HB ASP 20 14.327 -7.626 -7.369 143 2HB ASP 20 2HB ASP 20 14.136 -9.237 -8.063 144 H LYS 21 H LYS 21 13.500 -10.713 -4.055 145 HA LYS 21 HA LYS 21 14.143 -13.102 -5.683 146 1HB LYS 21 1HB LYS 21 15.917 -11.908 -3.531 147 2HB LYS 21 2HB LYS 21 16.130 -13.534 -4.181 148 1HG LYS 21 1HG LYS 21 16.192 -12.408 -6.499 149 2HG LYS 21 2HG LYS 21 16.413 -10.895 -5.620 150 1HD LYS 21 1HD LYS 21 18.380 -11.896 -4.459 151 2HD LYS 21 2HD LYS 21 18.190 -13.345 -5.448 152 1HE LYS 21 1HE LYS 21 18.775 -12.213 -7.439 153 2HE LYS 21 2HE LYS 21 18.468 -10.617 -6.724 154 1HZ LYS 21 1HZ LYS 21 20.231 -11.387 -5.015 155 2HZ LYS 21 2HZ LYS 21 20.710 -12.464 -6.238 156 3HZ LYS 21 3HZ LYS 21 20.746 -10.794 -6.521 157 HA PRO 22 HA PRO 22 11.614 -14.733 -2.470 158 1HB PRO 22 1HB PRO 22 12.133 -17.440 -2.996 159 2HB PRO 22 2HB PRO 22 10.876 -16.462 -3.776 160 1HG PRO 22 1HG PRO 22 13.560 -17.227 -4.763 161 2HG PRO 22 2HG PRO 22 12.053 -16.973 -5.656 162 1HD PRO 22 1HD PRO 22 14.066 -15.182 -5.681 163 2HD PRO 22 2HD PRO 22 12.358 -14.698 -5.791 164 H TYR 23 H TYR 23 14.919 -14.763 -2.537 165 HA TYR 23 HA TYR 23 15.066 -15.918 0.211 166 1HB TYR 23 1HB TYR 23 17.200 -17.064 -0.579 167 2HB TYR 23 2HB TYR 23 15.709 -17.717 -1.260 168 HD1 TYR 23 HD1 TYR 23 18.866 -16.105 -1.971 169 HD2 TYR 23 HD2 TYR 23 14.967 -16.945 -3.564 170 HE1 TYR 23 HE1 TYR 23 19.694 -15.615 -4.258 171 HE2 TYR 23 HE2 TYR 23 15.795 -16.455 -5.850 172 HH TYR 23 HH TYR 23 18.822 -14.956 -6.426 173 H ILE 24 H ILE 24 17.272 -15.312 1.206 174 HA ILE 24 HA ILE 24 18.354 -12.780 0.038 175 HB ILE 24 HB ILE 24 16.497 -12.683 1.922 176 1HG1 ILE 24 1HG1 ILE 24 17.776 -10.760 0.994 177 2HG1 ILE 24 2HG1 ILE 24 17.480 -10.591 2.725 178 1HG2 ILE 24 1HG2 ILE 24 19.031 -13.178 3.515 179 2HG2 ILE 24 2HG2 ILE 24 17.496 -12.628 4.187 180 3HG2 ILE 24 3HG2 ILE 24 17.617 -14.232 3.464 181 1HD1 ILE 24 1HD1 ILE 24 19.872 -11.989 2.631 182 2HD1 ILE 24 2HD1 ILE 24 20.017 -10.853 1.290 183 3HD1 ILE 24 3HD1 ILE 24 19.708 -10.257 2.920 184 H LEU 25 H LEU 25 20.585 -12.540 0.353 185 HA LEU 25 HA LEU 25 22.065 -14.899 1.263 186 1HB LEU 25 1HB LEU 25 22.722 -12.190 0.095 187 2HB LEU 25 2HB LEU 25 23.993 -13.296 0.618 188 HG LEU 25 HG LEU 25 22.307 -14.924 -0.868 189 1HD1 LEU 25 1HD1 LEU 25 21.578 -12.349 -1.564 190 2HD1 LEU 25 2HD1 LEU 25 22.772 -12.758 -2.796 191 3HD1 LEU 25 3HD1 LEU 25 21.350 -13.778 -2.573 192 1HD2 LEU 25 1HD2 LEU 25 24.972 -13.714 -1.084 193 2HD2 LEU 25 2HD2 LEU 25 24.460 -15.367 -1.427 194 3HD2 LEU 25 3HD2 LEU 25 24.269 -14.113 -2.653 195 H ALA 26 H ALA 26 23.607 -14.860 3.011 196 HA ALA 26 HA ALA 26 22.744 -13.476 5.384 197 1HB ALA 26 1HB ALA 26 24.929 -15.301 4.507 198 2HB ALA 26 2HB ALA 26 23.808 -15.464 5.858 199 3HB ALA 26 3HB ALA 26 25.205 -14.397 5.997 200 H GLU 27 H GLU 27 25.406 -12.935 3.093 201 HA GLU 27 HA GLU 27 26.662 -10.806 4.581 202 1HB GLU 27 1HB GLU 27 26.708 -11.964 1.826 203 2HB GLU 27 2HB GLU 27 27.452 -10.383 2.061 204 1HG GLU 27 1HG GLU 27 28.209 -12.179 4.201 205 2HG GLU 27 2HG GLU 27 28.598 -12.892 2.636 206 H GLU 28 H GLU 28 24.089 -10.929 2.146 207 HA GLU 28 HA GLU 28 23.956 -8.114 1.589 208 1HB GLU 28 1HB GLU 28 22.953 -10.053 0.308 209 2HB GLU 28 2HB GLU 28 21.732 -10.176 1.576 210 1HG GLU 28 1HG GLU 28 20.754 -8.130 1.022 211 2HG GLU 28 2HG GLU 28 22.220 -7.527 0.246 212 H LEU 29 H LEU 29 22.016 -10.161 3.814 213 HA LEU 29 HA LEU 29 20.573 -7.952 4.973 214 1HB LEU 29 1HB LEU 29 19.669 -9.621 6.362 215 2HB LEU 29 2HB LEU 29 20.135 -10.530 4.929 216 HG LEU 29 HG LEU 29 22.399 -10.878 6.187 217 1HD1 LEU 29 1HD1 LEU 29 20.943 -9.332 8.081 218 2HD1 LEU 29 2HD1 LEU 29 21.103 -10.957 8.745 219 3HD1 LEU 29 3HD1 LEU 29 22.542 -10.052 8.275 220 1HD2 LEU 29 1HD2 LEU 29 19.755 -12.186 6.804 221 2HD2 LEU 29 2HD2 LEU 29 21.072 -12.788 5.799 222 3HD2 LEU 29 3HD2 LEU 29 21.242 -12.764 7.555 223 H ARG 30 H ARG 30 23.618 -9.555 5.737 224 HA ARG 30 HA ARG 30 24.060 -8.428 8.330 225 1HB ARG 30 1HB ARG 30 25.543 -9.812 6.188 226 2HB ARG 30 2HB ARG 30 26.547 -8.785 7.211 227 1HG ARG 30 1HG ARG 30 25.389 -9.909 9.207 228 2HG ARG 30 2HG ARG 30 24.793 -11.100 8.050 229 1HD ARG 30 1HD ARG 30 26.978 -11.862 7.527 230 2HD ARG 30 2HD ARG 30 27.736 -10.416 8.224 231 HE ARG 30 HE ARG 30 26.834 -12.741 9.725 232 1HH1 ARG 30 1HH1 ARG 30 27.289 -9.317 9.737 233 2HH1 ARG 30 2HH1 ARG 30 27.458 -9.217 11.458 234 1HH2 ARG 30 1HH2 ARG 30 27.056 -12.621 11.971 235 2HH2 ARG 30 2HH2 ARG 30 27.326 -11.082 12.720 236 H ARG 31 H ARG 31 24.688 -7.199 5.064 237 HA ARG 31 HA ARG 31 26.112 -4.830 6.107 238 1HB ARG 31 1HB ARG 31 26.114 -6.373 3.781 239 2HB ARG 31 2HB ARG 31 25.376 -4.849 3.285 240 1HG ARG 31 1HG ARG 31 27.681 -4.453 3.000 241 2HG ARG 31 2HG ARG 31 27.332 -3.729 4.571 242 1HD ARG 31 1HD ARG 31 28.038 -6.604 4.674 243 2HD ARG 31 2HD ARG 31 29.353 -5.523 4.173 244 HE ARG 31 HE ARG 31 28.206 -5.627 6.821 245 1HH1 ARG 31 1HH1 ARG 31 29.437 -3.527 4.371 246 2HH1 ARG 31 2HH1 ARG 31 29.943 -2.308 5.490 247 1HH2 ARG 31 1HH2 ARG 31 28.859 -4.041 8.288 248 2HH2 ARG 31 2HH2 ARG 31 29.618 -2.598 7.705 249 H GLU 32 H GLU 32 22.847 -5.686 5.278 250 HA GLU 32 HA GLU 32 22.110 -2.828 4.852 251 1HB GLU 32 1HB GLU 32 20.082 -3.723 3.967 252 2HB GLU 32 2HB GLU 32 21.367 -4.771 3.370 253 1HG GLU 32 1HG GLU 32 19.959 -6.400 4.162 254 2HG GLU 32 2HG GLU 32 20.804 -6.051 5.671 255 H LEU 33 H LEU 33 21.884 -5.384 7.215 256 HA LEU 33 HA LEU 33 20.004 -3.733 8.860 257 1HB LEU 33 1HB LEU 33 20.531 -6.602 8.391 258 2HB LEU 33 2HB LEU 33 20.232 -6.179 10.075 259 HG LEU 33 HG LEU 33 18.436 -5.189 7.860 260 1HD1 LEU 33 1HD1 LEU 33 18.691 -7.765 7.979 261 2HD1 LEU 33 2HD1 LEU 33 17.861 -7.636 9.530 262 3HD1 LEU 33 3HD1 LEU 33 17.059 -7.100 8.054 263 1HD2 LEU 33 1HD2 LEU 33 18.536 -5.096 10.797 264 2HD2 LEU 33 2HD2 LEU 33 17.658 -4.061 9.672 265 3HD2 LEU 33 3HD2 LEU 33 16.972 -5.609 10.167 266 HA PRO 34 HA PRO 34 23.265 -2.455 11.531 267 1HB PRO 34 1HB PRO 34 21.429 -3.229 13.748 268 2HB PRO 34 2HB PRO 34 22.249 -1.681 13.452 269 1HG PRO 34 1HG PRO 34 19.635 -1.990 13.013 270 2HG PRO 34 2HG PRO 34 20.643 -0.955 11.989 271 1HD PRO 34 1HD PRO 34 19.507 -3.638 11.422 272 2HD PRO 34 2HD PRO 34 19.829 -2.284 10.318 273 HA PRO 35 HA PRO 35 25.395 -6.244 12.211 274 1HB PRO 35 1HB PRO 35 26.325 -5.099 14.784 275 2HB PRO 35 2HB PRO 35 27.274 -5.688 13.405 276 1HG PRO 35 1HG PRO 35 27.065 -3.085 13.958 277 2HG PRO 35 2HG PRO 35 27.159 -3.689 12.296 278 1HD PRO 35 1HD PRO 35 24.790 -2.708 13.816 279 2HD PRO 35 2HD PRO 35 25.204 -2.496 12.100 280 H ASP 36 H ASP 36 23.662 -4.706 14.921 281 HA ASP 36 HA ASP 36 23.358 -7.072 16.518 282 1HB ASP 36 1HB ASP 36 22.606 -4.310 16.498 283 2HB ASP 36 2HB ASP 36 21.168 -5.268 16.855 284 H GLN 37 H GLN 37 21.162 -5.540 14.124 285 HA GLN 37 HA GLN 37 19.075 -7.513 14.408 286 1HB GLN 37 1HB GLN 37 19.804 -5.619 12.150 287 2HB GLN 37 2HB GLN 37 18.246 -6.424 12.338 288 1HG GLN 37 1HG GLN 37 19.457 -4.574 14.412 289 2HG GLN 37 2HG GLN 37 18.268 -4.068 13.211 290 2HE2 GLN 37 2HE2 GLN 37 18.408 -4.895 16.378 291 1HE2 GLN 37 1HE2 GLN 37 16.892 -5.635 16.568 292 H ALA 38 H ALA 38 21.720 -7.099 12.041 293 HA ALA 38 HA ALA 38 21.084 -9.257 10.321 294 1HB ALA 38 1HB ALA 38 23.558 -7.772 11.156 295 2HB ALA 38 2HB ALA 38 23.711 -9.161 10.079 296 3HB ALA 38 3HB ALA 38 22.737 -7.773 9.595 297 H GLN 39 H GLN 39 23.259 -9.240 13.173 298 HA GLN 39 HA GLN 39 23.991 -11.982 13.091 299 1HB GLN 39 1HB GLN 39 24.848 -9.982 14.495 300 2HB GLN 39 2HB GLN 39 23.543 -10.380 15.613 301 1HG GLN 39 1HG GLN 39 24.435 -12.521 16.076 302 2HG GLN 39 2HG GLN 39 25.486 -12.481 14.660 303 2HE2 GLN 39 2HE2 GLN 39 27.622 -11.931 15.100 304 1HE2 GLN 39 1HE2 GLN 39 28.143 -11.053 16.456 305 H TYR 40 H TYR 40 21.210 -10.387 14.664 306 HA TYR 40 HA TYR 40 20.193 -12.731 15.980 307 1HB TYR 40 1HB TYR 40 19.555 -9.971 15.593 308 2HB TYR 40 2HB TYR 40 18.109 -10.915 15.238 309 HD1 TYR 40 HD1 TYR 40 20.782 -10.401 17.790 310 HD2 TYR 40 HD2 TYR 40 16.846 -11.916 16.973 311 HE1 TYR 40 HE1 TYR 40 20.416 -10.757 20.217 312 HE2 TYR 40 HE2 TYR 40 16.480 -12.272 19.400 313 HH TYR 40 HH TYR 40 19.057 -11.606 21.765 314 H CYS 41 H CYS 41 19.303 -11.196 12.862 315 HA CYS 41 HA CYS 41 17.306 -13.101 12.122 316 1HB CYS 41 1HB CYS 41 19.162 -11.474 10.359 317 2HB CYS 41 2HB CYS 41 17.565 -12.081 9.922 318 HG CYS 41 HG CYS 41 17.452 -10.298 12.390 319 H ILE 42 H ILE 42 20.765 -12.907 11.237 320 HA ILE 42 HA ILE 42 21.042 -15.081 9.532 321 HB ILE 42 HB ILE 42 22.781 -14.089 11.806 322 1HG1 ILE 42 1HG1 ILE 42 22.094 -12.580 9.826 323 2HG1 ILE 42 2HG1 ILE 42 23.819 -12.718 10.165 324 1HG2 ILE 42 1HG2 ILE 42 23.199 -16.240 9.781 325 2HG2 ILE 42 2HG2 ILE 42 24.557 -15.163 10.111 326 3HG2 ILE 42 3HG2 ILE 42 23.835 -16.099 11.420 327 1HD1 ILE 42 1HD1 ILE 42 22.354 -14.415 8.127 328 2HD1 ILE 42 2HD1 ILE 42 23.240 -12.943 7.728 329 3HD1 ILE 42 3HD1 ILE 42 24.096 -14.337 8.386 330 H LYS 43 H LYS 43 20.185 -15.202 12.915 331 HA LYS 43 HA LYS 43 21.027 -17.983 13.308 332 1HB LYS 43 1HB LYS 43 20.417 -15.733 14.857 333 2HB LYS 43 2HB LYS 43 19.124 -16.881 15.214 334 1HG LYS 43 1HG LYS 43 20.562 -18.429 16.143 335 2HG LYS 43 2HG LYS 43 21.921 -17.927 15.136 336 1HD LYS 43 1HD LYS 43 22.541 -17.080 17.223 337 2HD LYS 43 2HD LYS 43 21.745 -15.686 16.491 338 1HE LYS 43 1HE LYS 43 20.667 -15.756 18.565 339 2HE LYS 43 2HE LYS 43 19.579 -16.782 17.608 340 1HZ LYS 43 1HZ LYS 43 21.959 -17.879 18.984 341 2HZ LYS 43 2HZ LYS 43 20.460 -17.761 19.768 342 3HZ LYS 43 3HZ LYS 43 20.614 -18.719 18.373 343 H ARG 44 H ARG 44 18.092 -16.331 12.290 344 HA ARG 44 HA ARG 44 16.468 -18.778 12.744 345 1HB ARG 44 1HB ARG 44 16.036 -15.885 12.222 346 2HB ARG 44 2HB ARG 44 14.785 -16.980 11.643 347 1HG ARG 44 1HG ARG 44 14.223 -17.694 13.776 348 2HG ARG 44 2HG ARG 44 15.834 -17.370 14.420 349 1HD ARG 44 1HD ARG 44 15.396 -14.933 14.287 350 2HD ARG 44 2HD ARG 44 13.763 -15.270 13.677 351 HE ARG 44 HE ARG 44 14.040 -16.807 16.009 352 1HH1 ARG 44 1HH1 ARG 44 14.163 -13.486 15.065 353 2HH1 ARG 44 2HH1 ARG 44 13.608 -12.897 16.595 354 1HH2 ARG 44 1HH2 ARG 44 13.316 -16.048 18.011 355 2HH2 ARG 44 2HH2 ARG 44 13.131 -14.344 18.260 356 H MET 45 H MET 45 16.596 -16.488 10.001 357 HA MET 45 HA MET 45 15.638 -17.538 7.831 358 1HB MET 45 1HB MET 45 18.633 -17.232 7.712 359 2HB MET 45 2HB MET 45 17.419 -16.682 6.565 360 1HG MET 45 1HG MET 45 16.629 -15.230 8.660 361 2HG MET 45 2HG MET 45 18.322 -15.423 9.108 362 1HE MET 45 1HE MET 45 15.878 -13.404 7.668 363 2HE MET 45 2HE MET 45 16.444 -12.666 6.172 364 3HE MET 45 3HE MET 45 15.880 -14.341 6.178 365 HA PRO 46 HA PRO 46 16.991 -21.893 8.577 366 1HB PRO 46 1HB PRO 46 14.557 -22.362 6.938 367 2HB PRO 46 2HB PRO 46 15.051 -23.121 8.463 368 1HG PRO 46 1HG PRO 46 13.078 -21.316 8.341 369 2HG PRO 46 2HG PRO 46 14.150 -21.460 9.743 370 1HD PRO 46 1HD PRO 46 14.091 -19.391 7.618 371 2HD PRO 46 2HD PRO 46 14.562 -19.255 9.326 372 H ALA 47 H ALA 47 17.442 -23.569 6.821 373 HA ALA 47 HA ALA 47 18.907 -22.478 4.659 374 1HB ALA 47 1HB ALA 47 18.065 -25.050 5.704 375 2HB ALA 47 2HB ALA 47 18.033 -25.065 3.941 376 3HB ALA 47 3HB ALA 47 19.521 -24.651 4.790 377 H TYR 48 H TYR 48 18.126 -21.428 2.881 378 HA TYR 48 HA TYR 48 15.533 -20.951 2.102 379 1HB TYR 48 1HB TYR 48 16.470 -20.454 -0.063 380 2HB TYR 48 2HB TYR 48 17.729 -20.120 1.126 381 HD1 TYR 48 HD1 TYR 48 16.886 -21.947 -1.830 382 HD2 TYR 48 HD2 TYR 48 19.387 -22.048 1.660 383 HE1 TYR 48 HE1 TYR 48 18.375 -23.589 -2.943 384 HE2 TYR 48 HE2 TYR 48 20.875 -23.689 0.547 385 HH TYR 48 HH TYR 48 20.176 -25.533 -1.759 386 H SER 49 H SER 49 17.445 -23.844 1.266 387 HA SER 49 HA SER 49 15.272 -25.649 1.175 388 1HB SER 49 1HB SER 49 15.309 -23.757 -0.958 389 2HB SER 49 2HB SER 49 15.716 -25.326 -1.646 390 HG SER 49 HG SER 49 13.586 -25.468 -1.590 391 H GLY 50 H GLY 50 15.923 -27.433 -0.764 392 1HA GLY 50 1HA GLY 50 17.591 -29.230 -0.558 393 2HA GLY 50 2HA GLY 50 18.805 -27.995 -0.216 394 HA PRO 51 HA PRO 51 18.521 -28.211 -4.783 395 1HB PRO 51 1HB PRO 51 16.386 -29.348 -6.055 396 2HB PRO 51 2HB PRO 51 17.594 -30.299 -5.167 397 1HG PRO 51 1HG PRO 51 14.864 -29.462 -4.345 398 2HG PRO 51 2HG PRO 51 15.727 -30.976 -4.030 399 1HD PRO 51 1HD PRO 51 15.447 -28.966 -2.197 400 2HD PRO 51 2HD PRO 51 16.776 -30.143 -2.187 401 H GLY 52 H GLY 52 17.427 -25.826 -3.707 402 1HA GLY 52 1HA GLY 52 15.525 -24.276 -4.318 403 2HA GLY 52 2HA GLY 52 15.682 -24.903 -5.959 404 H SER 53 H SER 53 16.698 -22.473 -3.821 405 HA SER 53 HA SER 53 18.060 -20.956 -5.714 406 1HB SER 53 1HB SER 53 17.128 -20.563 -3.251 407 2HB SER 53 2HB SER 53 18.822 -20.794 -2.835 408 HG SER 53 HG SER 53 18.010 -18.580 -3.416 409 H VAL 54 H VAL 54 20.484 -20.287 -4.254 410 HA VAL 54 HA VAL 54 22.183 -22.604 -5.090 411 HB VAL 54 HB VAL 54 23.919 -20.883 -5.332 412 1HG1 VAL 54 1HG1 VAL 54 21.608 -21.100 -6.860 413 2HG1 VAL 54 2HG1 VAL 54 21.747 -19.365 -6.573 414 3HG1 VAL 54 3HG1 VAL 54 23.076 -20.242 -7.330 415 1HG2 VAL 54 1HG2 VAL 54 22.199 -19.480 -3.507 416 2HG2 VAL 54 2HG2 VAL 54 23.818 -19.036 -4.045 417 3HG2 VAL 54 3HG2 VAL 54 22.408 -18.500 -4.958 418 HA PRO 55 HA PRO 55 23.336 -23.607 -0.990 419 1HB PRO 55 1HB PRO 55 26.100 -23.697 -1.236 420 2HB PRO 55 2HB PRO 55 25.009 -25.030 -1.663 421 1HG PRO 55 1HG PRO 55 26.325 -23.026 -3.414 422 2HG PRO 55 2HG PRO 55 25.987 -24.739 -3.709 423 1HD PRO 55 1HD PRO 55 24.517 -22.757 -4.804 424 2HD PRO 55 2HD PRO 55 23.824 -24.335 -4.370 425 H GLY 56 H GLY 56 23.059 -21.908 0.429 426 1HA GLY 56 1HA GLY 56 24.945 -19.598 0.216 427 2HA GLY 56 2HA GLY 56 24.611 -20.356 1.775 428 H ALA 57 H ALA 57 22.088 -20.025 -0.624 429 HA ALA 57 HA ALA 57 21.038 -17.481 0.209 430 1HB ALA 57 1HB ALA 57 19.857 -19.935 -1.124 431 2HB ALA 57 2HB ALA 57 20.467 -18.481 -1.915 432 3HB ALA 57 3HB ALA 57 18.985 -18.409 -0.962 433 H LEU 58 H LEU 58 19.438 -17.005 1.756 434 HA LEU 58 HA LEU 58 18.666 -19.253 3.591 435 1HB LEU 58 1HB LEU 58 19.188 -16.318 4.173 436 2HB LEU 58 2HB LEU 58 18.769 -17.540 5.373 437 HG LEU 58 HG LEU 58 21.246 -17.544 3.623 438 1HD1 LEU 58 1HD1 LEU 58 20.818 -17.063 6.587 439 2HD1 LEU 58 2HD1 LEU 58 22.399 -17.283 5.834 440 3HD1 LEU 58 3HD1 LEU 58 21.402 -15.893 5.403 441 1HD2 LEU 58 1HD2 LEU 58 20.019 -19.535 5.504 442 2HD2 LEU 58 2HD2 LEU 58 20.830 -19.811 3.962 443 3HD2 LEU 58 3HD2 LEU 58 21.778 -19.428 5.400 444 H ASP 59 H ASP 59 16.513 -19.014 4.574 445 HA ASP 59 HA ASP 59 14.650 -17.480 2.809 446 1HB ASP 59 1HB ASP 59 14.675 -20.060 4.208 447 2HB ASP 59 2HB ASP 59 13.168 -19.172 4.427 448 H TYR 60 H TYR 60 14.159 -15.508 3.686 449 HA TYR 60 HA TYR 60 14.224 -15.022 6.582 450 1HB TYR 60 1HB TYR 60 13.514 -12.737 5.790 451 2HB TYR 60 2HB TYR 60 14.945 -13.333 4.950 452 HD1 TYR 60 HD1 TYR 60 14.964 -13.590 2.608 453 HD2 TYR 60 HD2 TYR 60 11.230 -13.082 4.670 454 HE1 TYR 60 HE1 TYR 60 13.792 -13.374 0.434 455 HE2 TYR 60 HE2 TYR 60 10.058 -12.866 2.495 456 HH TYR 60 HH TYR 60 11.862 -12.950 -0.579 457 H ALA 61 H ALA 61 11.888 -15.991 4.202 458 HA ALA 61 HA ALA 61 9.458 -15.007 5.271 459 1HB ALA 61 1HB ALA 61 10.228 -17.610 3.913 460 2HB ALA 61 2HB ALA 61 8.555 -17.134 4.200 461 3HB ALA 61 3HB ALA 61 9.580 -16.158 3.149 462 H ALA 62 H ALA 62 11.377 -17.879 6.158 463 HA ALA 62 HA ALA 62 9.591 -18.999 8.066 464 1HB ALA 62 1HB ALA 62 12.417 -19.147 8.787 465 2HB ALA 62 2HB ALA 62 12.165 -19.431 7.065 466 3HB ALA 62 3HB ALA 62 11.340 -20.438 8.256 467 H PHE 63 H PHE 63 11.852 -16.339 8.241 468 HA PHE 63 HA PHE 63 11.994 -15.931 11.047 469 1HB PHE 63 1HB PHE 63 13.123 -14.835 8.908 470 2HB PHE 63 2HB PHE 63 11.826 -13.656 9.098 471 HD1 PHE 63 HD1 PHE 63 14.672 -15.286 10.860 472 HD2 PHE 63 HD2 PHE 63 11.887 -12.016 10.818 473 HE1 PHE 63 HE1 PHE 63 15.932 -14.180 12.691 474 HE2 PHE 63 HE2 PHE 63 13.149 -10.919 12.651 475 HZ PHE 63 HZ PHE 63 15.172 -12.012 13.584 476 H SER 64 H SER 64 9.669 -14.627 8.655 477 HA SER 64 HA SER 64 8.119 -13.155 10.613 478 1HB SER 64 1HB SER 64 6.657 -12.788 8.713 479 2HB SER 64 2HB SER 64 8.318 -12.742 8.131 480 HG SER 64 HG SER 64 6.818 -14.072 6.890 481 H SER 65 H SER 65 7.641 -16.298 8.964 482 HA SER 65 HA SER 65 5.122 -16.897 10.230 483 1HB SER 65 1HB SER 65 5.947 -17.917 8.143 484 2HB SER 65 2HB SER 65 7.275 -18.665 9.024 485 HG SER 65 HG SER 65 5.803 -20.223 9.080 486 H ALA 66 H ALA 66 8.495 -17.764 11.024 487 HA ALA 66 HA ALA 66 7.811 -19.455 13.270 488 1HB ALA 66 1HB ALA 66 10.238 -19.290 13.694 489 2HB ALA 66 2HB ALA 66 10.345 -17.938 12.565 490 3HB ALA 66 3HB ALA 66 9.921 -19.546 11.977 491 H LEU 67 H LEU 67 8.586 -16.005 12.931 492 HA LEU 67 HA LEU 67 8.749 -15.499 15.788 493 1HB LEU 67 1HB LEU 67 8.584 -13.909 13.239 494 2HB LEU 67 2HB LEU 67 8.448 -13.086 14.793 495 HG LEU 67 HG LEU 67 10.685 -15.038 14.366 496 1HD1 LEU 67 1HD1 LEU 67 10.270 -12.534 12.905 497 2HD1 LEU 67 2HD1 LEU 67 11.781 -12.549 13.816 498 3HD1 LEU 67 3HD1 LEU 67 11.455 -13.812 12.630 499 1HD2 LEU 67 1HD2 LEU 67 9.921 -12.872 16.222 500 2HD2 LEU 67 2HD2 LEU 67 10.926 -14.293 16.506 501 3HD2 LEU 67 3HD2 LEU 67 11.619 -12.860 15.746 502 H TYR 68 H TYR 68 6.209 -15.081 13.311 503 HA TYR 68 HA TYR 68 4.301 -14.185 15.412 504 1HB TYR 68 1HB TYR 68 4.469 -14.183 12.412 505 2HB TYR 68 2HB TYR 68 2.895 -14.001 13.186 506 HD1 TYR 68 HD1 TYR 68 5.735 -12.263 12.025 507 HD2 TYR 68 HD2 TYR 68 2.851 -12.267 15.209 508 HE1 TYR 68 HE1 TYR 68 6.230 -9.875 12.477 509 HE2 TYR 68 HE2 TYR 68 3.346 -9.879 15.660 510 HH TYR 68 HH TYR 68 5.446 -8.327 15.239 511 H GLY 69 H GLY 69 5.374 -17.100 14.438 512 1HA GLY 69 1HA GLY 69 4.424 -19.249 14.248 513 2HA GLY 69 2HA GLY 69 2.888 -18.480 13.845 514 H GLU 70 H GLU 70 4.555 -17.518 16.745 515 HA GLU 70 HA GLU 70 3.517 -19.389 18.618 516 1HB GLU 70 1HB GLU 70 5.143 -17.183 18.619 517 2HB GLU 70 2HB GLU 70 3.719 -16.560 19.452 518 1HG GLU 70 1HG GLU 70 3.869 -18.164 21.173 519 2HG GLU 70 2HG GLU 70 4.910 -19.220 20.217 520 H SER 71 H SER 71 2.067 -16.504 17.161 521 HA SER 71 HA SER 71 -0.425 -16.981 18.751 522 1HB SER 71 1HB SER 71 0.322 -14.565 17.090 523 2HB SER 71 2HB SER 71 -0.866 -14.657 18.387 524 HG SER 71 HG SER 71 0.902 -13.813 19.337 525 H ASP 72 H ASP 72 -2.115 -17.893 17.650 526 HA ASP 72 HA ASP 72 -1.948 -18.344 14.761 527 1HB ASP 72 1HB ASP 72 -3.730 -19.069 17.059 528 2HB ASP 72 2HB ASP 72 -4.359 -19.259 15.422 529 H LEU 73 H LEU 73 -2.738 -16.931 13.256 530 HA LEU 73 HA LEU 73 -4.864 -14.992 14.114 531 1HB LEU 73 1HB LEU 73 -3.742 -13.446 12.487 532 2HB LEU 73 2HB LEU 73 -2.684 -13.927 13.815 533 HG LEU 73 HG LEU 73 -2.605 -15.755 11.509 534 1HD1 LEU 73 1HD1 LEU 73 -1.751 -12.860 11.255 535 2HD1 LEU 73 2HD1 LEU 73 -1.124 -14.144 10.220 536 3HD1 LEU 73 3HD1 LEU 73 -2.845 -13.755 10.198 537 1HD2 LEU 73 1HD2 LEU 73 -1.092 -15.620 13.598 538 2HD2 LEU 73 2HD2 LEU 73 -0.291 -15.803 12.038 539 3HD2 LEU 73 3HD2 LEU 73 -0.351 -14.223 12.816 540 H GLY 7 H GLY 7 13.131 6.554 2.386 541 1HA GLY 7 1HA GLY 7 14.188 5.896 0.186 542 2HA GLY 7 2HA GLY 7 12.492 6.326 -0.038 543 H LYS 8 H LYS 8 11.004 4.294 0.596 544 HA LYS 8 HA LYS 8 10.288 2.160 -0.130 545 1HB LYS 8 1HB LYS 8 12.187 3.238 -2.062 546 2HB LYS 8 2HB LYS 8 12.222 1.475 -2.040 547 1HG LYS 8 1HG LYS 8 9.663 3.084 -2.221 548 2HG LYS 8 2HG LYS 8 10.525 2.468 -3.632 549 1HD LYS 8 1HD LYS 8 9.402 0.533 -3.365 550 2HD LYS 8 2HD LYS 8 10.339 0.277 -1.892 551 1HE LYS 8 1HE LYS 8 8.527 0.666 -0.581 552 2HE LYS 8 2HE LYS 8 8.123 2.147 -1.474 553 1HZ LYS 8 1HZ LYS 8 7.333 0.686 -3.305 554 2HZ LYS 8 2HZ LYS 8 7.529 -0.651 -2.275 555 3HZ LYS 8 3HZ LYS 8 6.404 0.564 -1.892 556 H LYS 9 H LYS 9 13.797 1.802 -0.654 557 HA LYS 9 HA LYS 9 13.992 -0.758 0.577 558 1HB LYS 9 1HB LYS 9 15.573 0.951 -0.883 559 2HB LYS 9 2HB LYS 9 16.354 1.010 0.696 560 1HG LYS 9 1HG LYS 9 15.974 -1.644 0.528 561 2HG LYS 9 2HG LYS 9 16.074 -1.275 -1.193 562 1HD LYS 9 1HD LYS 9 18.314 -1.184 -1.005 563 2HD LYS 9 2HD LYS 9 18.135 0.207 0.064 564 1HE LYS 9 1HE LYS 9 17.619 -1.654 1.885 565 2HE LYS 9 2HE LYS 9 18.551 -2.676 0.773 566 1HZ LYS 9 1HZ LYS 9 19.433 0.008 1.691 567 2HZ LYS 9 2HZ LYS 9 19.945 -1.446 2.409 568 3HZ LYS 9 3HZ LYS 9 20.336 -1.116 0.791 569 H ALA 10 H ALA 10 14.653 2.504 1.898 570 HA ALA 10 HA ALA 10 15.583 1.708 4.464 571 1HB ALA 10 1HB ALA 10 14.660 4.042 5.055 572 2HB ALA 10 2HB ALA 10 15.830 3.966 3.737 573 3HB ALA 10 3HB ALA 10 14.109 4.118 3.381 574 H GLU 11 H GLU 11 12.286 2.139 3.215 575 HA GLU 11 HA GLU 11 10.906 1.918 5.723 576 1HB GLU 11 1HB GLU 11 10.331 1.690 2.806 577 2HB GLU 11 2HB GLU 11 9.135 1.002 3.906 578 1HG GLU 11 1HG GLU 11 8.732 3.078 4.957 579 2HG GLU 11 2HG GLU 11 10.225 3.781 4.336 580 H ALA 12 H ALA 12 11.911 -0.502 3.306 581 HA ALA 12 HA ALA 12 10.650 -2.772 4.515 582 1HB ALA 12 1HB ALA 12 12.705 -3.858 3.212 583 2HB ALA 12 2HB ALA 12 11.378 -3.100 2.332 584 3HB ALA 12 3HB ALA 12 12.880 -2.215 2.595 585 H VAL 13 H VAL 13 13.947 -1.424 4.872 586 HA VAL 13 HA VAL 13 14.956 -3.415 6.654 587 HB VAL 13 HB VAL 13 15.588 -0.451 6.443 588 1HG1 VAL 13 1HG1 VAL 13 16.971 -2.820 7.676 589 2HG1 VAL 13 2HG1 VAL 13 17.928 -1.481 7.041 590 3HG1 VAL 13 3HG1 VAL 13 16.757 -1.195 8.329 591 1HG2 VAL 13 1HG2 VAL 13 16.521 -2.869 4.875 592 2HG2 VAL 13 2HG2 VAL 13 15.761 -1.405 4.250 593 3HG2 VAL 13 3HG2 VAL 13 17.404 -1.343 4.885 594 H ALA 14 H ALA 14 13.394 -0.263 7.324 595 HA ALA 14 HA ALA 14 13.530 -0.345 10.158 596 1HB ALA 14 1HB ALA 14 12.893 1.593 8.743 597 2HB ALA 14 2HB ALA 14 11.383 0.783 8.329 598 3HB ALA 14 3HB ALA 14 11.687 1.288 9.991 599 H THR 15 H THR 15 11.208 -1.809 7.903 600 HA THR 15 HA THR 15 9.277 -2.647 9.863 601 HB THR 15 HB THR 15 9.981 -4.003 7.247 602 HG1 THR 15 HG1 THR 15 8.240 -2.329 6.626 603 1HG2 THR 15 1HG2 THR 15 7.602 -3.839 9.048 604 2HG2 THR 15 2HG2 THR 15 7.320 -3.958 7.311 605 3HG2 THR 15 3HG2 THR 15 8.231 -5.216 8.146 606 H VAL 16 H VAL 16 12.115 -4.278 8.426 607 HA VAL 16 HA VAL 16 11.749 -6.790 9.787 608 HB VAL 16 HB VAL 16 14.246 -5.420 8.728 609 1HG1 VAL 16 1HG1 VAL 16 13.858 -7.900 10.089 610 2HG1 VAL 16 2HG1 VAL 16 14.219 -8.262 8.402 611 3HG1 VAL 16 3HG1 VAL 16 15.337 -7.284 9.353 612 1HG2 VAL 16 1HG2 VAL 16 11.925 -6.158 7.356 613 2HG2 VAL 16 2HG2 VAL 16 13.508 -5.864 6.637 614 3HG2 VAL 16 3HG2 VAL 16 13.033 -7.502 7.084 615 H VAL 17 H VAL 17 13.689 -3.889 10.541 616 HA VAL 17 HA VAL 17 14.967 -4.875 12.890 617 HB VAL 17 HB VAL 17 14.058 -2.076 12.146 618 1HG1 VAL 17 1HG1 VAL 17 15.850 -3.202 14.254 619 2HG1 VAL 17 2HG1 VAL 17 16.348 -1.701 13.473 620 3HG1 VAL 17 3HG1 VAL 17 14.800 -1.786 14.313 621 1HG2 VAL 17 1HG2 VAL 17 15.624 -3.667 10.623 622 2HG2 VAL 17 2HG2 VAL 17 15.873 -1.925 10.743 623 3HG2 VAL 17 3HG2 VAL 17 16.847 -3.024 11.718 624 H ALA 18 H ALA 18 11.895 -3.081 12.497 625 HA ALA 18 HA ALA 18 11.242 -2.922 15.282 626 1HB ALA 18 1HB ALA 18 10.268 -1.642 13.332 627 2HB ALA 18 2HB ALA 18 9.384 -3.102 12.892 628 3HB ALA 18 3HB ALA 18 9.056 -2.302 14.430 629 H ALA 19 H ALA 19 10.371 -5.314 12.775 630 HA ALA 19 HA ALA 19 8.688 -6.943 14.424 631 1HB ALA 19 1HB ALA 19 8.737 -7.023 11.979 632 2HB ALA 19 2HB ALA 19 10.418 -7.555 12.006 633 3HB ALA 19 3HB ALA 19 9.148 -8.614 12.618 634 H VAL 20 H VAL 20 12.191 -7.064 13.742 635 HA VAL 20 HA VAL 20 12.712 -9.494 15.197 636 HB VAL 20 HB VAL 20 14.456 -7.097 14.539 637 1HG1 VAL 20 1HG1 VAL 20 15.127 -9.946 15.331 638 2HG1 VAL 20 2HG1 VAL 20 16.298 -8.806 14.667 639 3HG1 VAL 20 3HG1 VAL 20 15.530 -8.477 16.220 640 1HG2 VAL 20 1HG2 VAL 20 13.134 -8.732 12.784 641 2HG2 VAL 20 2HG2 VAL 20 14.663 -7.928 12.426 642 3HG2 VAL 20 3HG2 VAL 20 14.655 -9.601 12.982 643 H ASP 21 H ASP 21 12.873 -6.046 16.111 644 HA ASP 21 HA ASP 21 13.890 -6.420 18.757 645 1HB ASP 21 1HB ASP 21 13.375 -4.334 17.126 646 2HB ASP 21 2HB ASP 21 11.956 -4.231 18.169 647 H GLN 22 H GLN 22 10.559 -6.322 17.487 648 HA GLN 22 HA GLN 22 9.113 -6.333 19.906 649 1HB GLN 22 1HB GLN 22 8.481 -6.343 17.324 650 2HB GLN 22 2HB GLN 22 8.300 -8.076 17.604 651 1HG GLN 22 1HG GLN 22 6.600 -7.761 19.214 652 2HG GLN 22 2HG GLN 22 7.010 -6.059 19.439 653 2HE2 GLN 22 2HE2 GLN 22 4.452 -7.567 18.428 654 1HE2 GLN 22 1HE2 GLN 22 4.040 -6.713 17.020 655 H ALA 23 H ALA 23 10.301 -9.156 18.037 656 HA ALA 23 HA ALA 23 9.426 -11.188 19.818 657 1HB ALA 23 1HB ALA 23 10.733 -12.551 18.454 658 2HB ALA 23 2HB ALA 23 10.582 -11.130 17.421 659 3HB ALA 23 3HB ALA 23 12.046 -11.376 18.371 660 H ARG 24 H ARG 24 12.470 -9.327 19.744 661 HA ARG 24 HA ARG 24 13.811 -10.661 21.874 662 1HB ARG 24 1HB ARG 24 14.169 -8.476 20.137 663 2HB ARG 24 2HB ARG 24 14.294 -7.796 21.760 664 1HG ARG 24 1HG ARG 24 15.966 -9.506 22.357 665 2HG ARG 24 2HG ARG 24 15.841 -10.197 20.739 666 1HD ARG 24 1HD ARG 24 17.800 -8.679 20.900 667 2HD ARG 24 2HD ARG 24 16.595 -8.021 19.774 668 HE ARG 24 HE ARG 24 16.154 -7.155 22.522 669 1HH1 ARG 24 1HH1 ARG 24 17.892 -6.625 19.584 670 2HH1 ARG 24 2HH1 ARG 24 18.122 -4.933 19.875 671 1HH2 ARG 24 1HH2 ARG 24 16.447 -4.950 22.911 672 2HH2 ARG 24 2HH2 ARG 24 17.305 -3.985 21.755 673 H VAL 25 H VAL 25 11.728 -7.746 21.930 674 HA VAL 25 HA VAL 25 11.854 -7.227 24.712 675 HB VAL 25 HB VAL 25 9.577 -6.868 22.735 676 1HG1 VAL 25 1HG1 VAL 25 9.247 -6.575 25.340 677 2HG1 VAL 25 2HG1 VAL 25 10.125 -5.069 25.076 678 3HG1 VAL 25 3HG1 VAL 25 8.607 -5.365 24.228 679 1HG2 VAL 25 1HG2 VAL 25 12.169 -5.832 22.677 680 2HG2 VAL 25 2HG2 VAL 25 10.772 -5.181 21.820 681 3HG2 VAL 25 3HG2 VAL 25 11.210 -4.542 23.404 682 H ARG 26 H ARG 26 10.262 -9.758 22.975 683 HA ARG 26 HA ARG 26 8.921 -11.559 23.695 684 1HB ARG 26 1HB ARG 26 10.880 -10.866 25.675 685 2HB ARG 26 2HB ARG 26 9.410 -11.384 26.496 686 1HG ARG 26 1HG ARG 26 9.364 -13.426 25.070 687 2HG ARG 26 2HG ARG 26 10.891 -12.921 24.343 688 1HD ARG 26 1HD ARG 26 12.044 -13.806 26.078 689 2HD ARG 26 2HD ARG 26 11.100 -12.849 27.236 690 HE ARG 26 HE ARG 26 9.489 -14.994 26.207 691 1HH1 ARG 26 1HH1 ARG 26 12.126 -14.280 28.319 692 2HH1 ARG 26 2HH1 ARG 26 11.844 -15.647 29.344 693 1HH2 ARG 26 1HH2 ARG 26 9.114 -16.783 27.531 694 2HH2 ARG 26 2HH2 ARG 26 10.139 -17.064 28.900 695 H GLU 27 H GLU 27 7.653 -8.938 23.534 696 HA GLU 27 HA GLU 27 5.904 -8.772 25.918 697 1HB GLU 27 1HB GLU 27 6.930 -7.036 23.906 698 2HB GLU 27 2HB GLU 27 5.171 -7.022 23.765 699 1HG GLU 27 1HG GLU 27 5.215 -6.784 26.367 700 2HG GLU 27 2HG GLU 27 6.880 -6.260 26.121 701 HA PRO 28 HA PRO 28 2.862 -11.095 23.704 702 1HB PRO 28 1HB PRO 28 1.151 -10.621 26.074 703 2HB PRO 28 2HB PRO 28 1.731 -12.152 25.393 704 1HG PRO 28 1HG PRO 28 2.692 -11.140 27.685 705 2HG PRO 28 2HG PRO 28 3.682 -12.094 26.571 706 1HD PRO 28 1HD PRO 28 3.671 -9.162 27.046 707 2HD PRO 28 2HD PRO 28 5.018 -10.243 26.621 708 H ARG 29 H ARG 29 2.812 -8.751 22.526 709 HA ARG 29 HA ARG 29 1.476 -6.976 21.682 710 1HB ARG 29 1HB ARG 29 0.311 -9.488 21.466 711 2HB ARG 29 2HB ARG 29 -0.989 -8.503 22.134 712 1HG ARG 29 1HG ARG 29 -1.351 -7.643 20.088 713 2HG ARG 29 2HG ARG 29 0.268 -6.945 20.120 714 1HD ARG 29 1HD ARG 29 0.988 -8.434 18.571 715 2HD ARG 29 2HD ARG 29 0.408 -9.791 19.556 716 HE ARG 29 HE ARG 29 -1.619 -9.777 18.321 717 1HH1 ARG 29 1HH1 ARG 29 0.250 -6.918 17.799 718 2HH1 ARG 29 2HH1 ARG 29 -0.726 -6.368 16.479 719 1HH2 ARG 29 1HH2 ARG 29 -2.895 -9.068 16.601 720 2HH2 ARG 29 2HH2 ARG 29 -2.504 -7.582 15.802 No H/Q in entry = 720 Start of MODEL 25 1 H MET 1 H MET 1 -6.931 -4.237 2.880 2 HA MET 1 HA MET 1 -9.585 -3.003 2.727 3 1HB MET 1 1HB MET 1 -7.675 -3.156 0.414 4 2HB MET 1 2HB MET 1 -9.404 -3.324 0.106 5 1HG MET 1 1HG MET 1 -9.012 -0.999 -0.095 6 2HG MET 1 2HG MET 1 -9.671 -1.184 1.532 7 1HE MET 1 1HE MET 1 -8.522 1.377 1.301 8 2HE MET 1 2HE MET 1 -6.779 1.636 1.306 9 3HE MET 1 3HE MET 1 -7.575 0.978 -0.130 10 H ALA 2 H ALA 2 -7.704 -5.441 0.879 11 HA ALA 2 HA ALA 2 -9.918 -7.365 1.057 12 1HB ALA 2 1HB ALA 2 -7.917 -6.811 -0.724 13 2HB ALA 2 2HB ALA 2 -8.803 -8.334 -0.689 14 3HB ALA 2 3HB ALA 2 -7.240 -8.205 0.117 15 H ASP 3 H ASP 3 -6.595 -7.086 2.341 16 HA ASP 3 HA ASP 3 -7.312 -8.652 4.709 17 1HB ASP 3 1HB ASP 3 -7.047 -10.422 3.055 18 2HB ASP 3 2HB ASP 3 -5.498 -9.753 2.539 19 H THR 4 H THR 4 -6.185 -7.573 6.280 20 HA THR 4 HA THR 4 -3.571 -6.313 5.557 21 HB THR 4 HB THR 4 -4.169 -5.205 7.892 22 HG1 THR 4 HG1 THR 4 -6.134 -5.555 8.543 23 1HG2 THR 4 1HG2 THR 4 -4.198 -4.251 5.475 24 2HG2 THR 4 2HG2 THR 4 -5.944 -4.481 5.569 25 3HG2 THR 4 3HG2 THR 4 -5.131 -3.412 6.713 26 H ASP 5 H ASP 5 -1.742 -6.676 6.918 27 HA ASP 5 HA ASP 5 -1.891 -8.398 9.271 28 1HB ASP 5 1HB ASP 5 -0.576 -10.243 8.156 29 2HB ASP 5 2HB ASP 5 -2.216 -10.064 7.532 30 H THR 6 H THR 6 0.463 -8.984 9.954 31 HA THR 6 HA THR 6 2.237 -6.670 9.259 32 HB THR 6 HB THR 6 1.878 -8.395 11.723 33 HG1 THR 6 HG1 THR 6 0.976 -6.641 12.517 34 1HG2 THR 6 1HG2 THR 6 4.197 -6.843 10.810 35 2HG2 THR 6 2HG2 THR 6 3.630 -6.385 12.416 36 3HG2 THR 6 3HG2 THR 6 4.088 -8.055 12.085 37 H ALA 7 H ALA 7 2.085 -10.186 9.633 38 HA ALA 7 HA ALA 7 4.890 -10.728 9.368 39 1HB ALA 7 1HB ALA 7 3.033 -12.254 10.166 40 2HB ALA 7 2HB ALA 7 4.118 -12.994 8.991 41 3HB ALA 7 3HB ALA 7 2.532 -12.417 8.483 42 H GLU 8 H GLU 8 2.252 -10.633 6.957 43 HA GLU 8 HA GLU 8 3.764 -11.307 4.657 44 1HB GLU 8 1HB GLU 8 1.187 -10.705 5.236 45 2HB GLU 8 2HB GLU 8 1.673 -9.198 4.460 46 1HG GLU 8 1HG GLU 8 2.230 -11.898 3.220 47 2HG GLU 8 2HG GLU 8 0.737 -11.011 2.911 48 H GLN 9 H GLN 9 3.353 -8.200 6.328 49 HA GLN 9 HA GLN 9 4.584 -6.508 4.387 50 1HB GLN 9 1HB GLN 9 3.270 -6.095 6.635 51 2HB GLN 9 2HB GLN 9 4.880 -6.119 7.355 52 1HG GLN 9 1HG GLN 9 5.033 -3.943 6.769 53 2HG GLN 9 2HG GLN 9 5.192 -4.509 5.106 54 2HE2 GLN 9 2HE2 GLN 9 3.581 -3.825 3.677 55 1HE2 GLN 9 1HE2 GLN 9 2.079 -3.187 4.144 56 H VAL 10 H VAL 10 5.993 -8.319 7.137 57 HA VAL 10 HA VAL 10 8.670 -7.388 6.894 58 HB VAL 10 HB VAL 10 7.569 -10.095 7.721 59 1HG1 VAL 10 1HG1 VAL 10 10.270 -8.899 7.726 60 2HG1 VAL 10 2HG1 VAL 10 9.778 -9.613 9.263 61 3HG1 VAL 10 3HG1 VAL 10 9.789 -10.594 7.797 62 1HG2 VAL 10 1HG2 VAL 10 7.571 -7.414 8.942 63 2HG2 VAL 10 2HG2 VAL 10 6.578 -8.821 9.323 64 3HG2 VAL 10 3HG2 VAL 10 8.201 -8.679 9.997 65 H ILE 11 H ILE 11 7.049 -10.180 5.366 66 HA ILE 11 HA ILE 11 9.258 -11.246 3.948 67 HB ILE 11 HB ILE 11 6.276 -11.098 3.448 68 1HG1 ILE 11 1HG1 ILE 11 8.112 -13.373 4.268 69 2HG1 ILE 11 2HG1 ILE 11 7.138 -12.418 5.386 70 1HG2 ILE 11 1HG2 ILE 11 7.497 -11.340 1.282 71 2HG2 ILE 11 2HG2 ILE 11 8.305 -12.767 1.930 72 3HG2 ILE 11 3HG2 ILE 11 6.557 -12.775 1.696 73 1HD1 ILE 11 1HD1 ILE 11 5.485 -13.343 3.212 74 2HD1 ILE 11 2HD1 ILE 11 6.329 -14.710 3.939 75 3HD1 ILE 11 3HD1 ILE 11 5.319 -13.664 4.938 76 H ALA 12 H ALA 12 6.830 -8.834 2.873 77 HA ALA 12 HA ALA 12 7.977 -8.301 0.316 78 1HB ALA 12 1HB ALA 12 6.455 -6.513 2.248 79 2HB ALA 12 2HB ALA 12 6.653 -6.204 0.523 80 3HB ALA 12 3HB ALA 12 5.726 -7.602 1.068 81 H SER 13 H SER 13 8.594 -6.935 3.538 82 HA SER 13 HA SER 13 10.452 -4.899 2.716 83 1HB SER 13 1HB SER 13 10.136 -6.481 5.290 84 2HB SER 13 2HB SER 13 11.081 -5.003 5.135 85 HG SER 13 HG SER 13 8.367 -5.369 5.304 86 H PHE 14 H PHE 14 10.824 -8.306 3.704 87 HA PHE 14 HA PHE 14 13.712 -8.350 3.608 88 1HB PHE 14 1HB PHE 14 11.421 -10.231 3.766 89 2HB PHE 14 2HB PHE 14 12.908 -10.913 3.104 90 HD1 PHE 14 HD1 PHE 14 11.242 -10.922 6.002 91 HD2 PHE 14 HD2 PHE 14 15.028 -9.539 4.516 92 HE1 PHE 14 HE1 PHE 14 12.195 -11.075 8.287 93 HE2 PHE 14 HE2 PHE 14 15.981 -9.692 6.801 94 HZ PHE 14 HZ PHE 14 14.564 -10.460 8.686 95 H ARG 15 H ARG 15 11.181 -9.182 1.225 96 HA ARG 15 HA ARG 15 12.810 -10.114 -0.881 97 1HB ARG 15 1HB ARG 15 10.285 -10.025 -0.708 98 2HB ARG 15 2HB ARG 15 10.380 -8.303 -1.084 99 1HG ARG 15 1HG ARG 15 11.650 -8.933 -3.183 100 2HG ARG 15 2HG ARG 15 11.248 -10.615 -2.836 101 1HD ARG 15 1HD ARG 15 8.881 -10.172 -3.020 102 2HD ARG 15 2HD ARG 15 9.163 -8.422 -3.096 103 HE ARG 15 HE ARG 15 10.652 -9.833 -5.147 104 1HH1 ARG 15 1HH1 ARG 15 7.563 -8.582 -4.231 105 2HH1 ARG 15 2HH1 ARG 15 7.026 -8.364 -5.862 106 1HH2 ARG 15 1HH2 ARG 15 9.958 -9.551 -7.277 107 2HH2 ARG 15 2HH2 ARG 15 8.380 -8.906 -7.583 108 H ILE 16 H ILE 16 11.960 -6.781 0.050 109 HA ILE 16 HA ILE 16 13.207 -5.396 -2.101 110 HB ILE 16 HB ILE 16 12.677 -4.782 0.816 111 1HG1 ILE 16 1HG1 ILE 16 11.403 -3.782 -1.751 112 2HG1 ILE 16 2HG1 ILE 16 10.746 -5.071 -0.741 113 1HG2 ILE 16 1HG2 ILE 16 14.311 -3.314 -1.115 114 2HG2 ILE 16 2HG2 ILE 16 12.966 -2.351 -0.504 115 3HG2 ILE 16 3HG2 ILE 16 14.126 -3.058 0.620 116 1HD1 ILE 16 1HD1 ILE 16 11.374 -2.348 0.398 117 2HD1 ILE 16 2HD1 ILE 16 9.821 -2.689 -0.364 118 3HD1 ILE 16 3HD1 ILE 16 10.322 -3.596 1.063 119 H LEU 17 H LEU 17 14.514 -6.428 1.068 120 HA LEU 17 HA LEU 17 17.160 -5.372 0.685 121 1HB LEU 17 1HB LEU 17 16.276 -7.799 2.280 122 2HB LEU 17 2HB LEU 17 17.679 -6.780 2.597 123 HG LEU 17 HG LEU 17 14.759 -6.052 2.875 124 1HD1 LEU 17 1HD1 LEU 17 16.704 -7.017 4.659 125 2HD1 LEU 17 2HD1 LEU 17 16.576 -5.291 5.003 126 3HD1 LEU 17 3HD1 LEU 17 15.142 -6.314 5.079 127 1HD2 LEU 17 1HD2 LEU 17 17.210 -4.309 2.639 128 2HD2 LEU 17 2HD2 LEU 17 15.641 -4.112 1.860 129 3HD2 LEU 17 3HD2 LEU 17 15.817 -3.778 3.582 130 H ALA 18 H ALA 18 15.700 -8.552 0.026 131 HA ALA 18 HA ALA 18 18.138 -9.784 -0.937 132 1HB ALA 18 1HB ALA 18 15.296 -10.509 -1.669 133 2HB ALA 18 2HB ALA 18 16.674 -11.589 -1.458 134 3HB ALA 18 3HB ALA 18 15.940 -10.810 -0.055 135 H SER 19 H SER 19 16.163 -7.375 -2.264 136 HA SER 19 HA SER 19 16.228 -6.346 -4.397 137 1HB SER 19 1HB SER 19 18.687 -7.255 -4.012 138 2HB SER 19 2HB SER 19 18.231 -8.412 -5.259 139 HG SER 19 HG SER 19 17.493 -6.427 -6.425 140 H ASP 20 H ASP 20 14.060 -7.766 -4.235 141 HA ASP 20 HA ASP 20 12.479 -9.036 -5.449 142 1HB ASP 20 1HB ASP 20 14.210 -7.667 -7.209 143 2HB ASP 20 2HB ASP 20 14.042 -9.292 -7.875 144 H LYS 21 H LYS 21 13.533 -10.763 -3.847 145 HA LYS 21 HA LYS 21 14.111 -13.154 -5.492 146 1HB LYS 21 1HB LYS 21 15.969 -11.955 -3.417 147 2HB LYS 21 2HB LYS 21 16.143 -13.597 -4.039 148 1HG LYS 21 1HG LYS 21 16.101 -12.485 -6.385 149 2HG LYS 21 2HG LYS 21 16.447 -10.987 -5.517 150 1HD LYS 21 1HD LYS 21 18.390 -12.203 -4.420 151 2HD LYS 21 2HD LYS 21 18.115 -13.513 -5.568 152 1HE LYS 21 1HE LYS 21 18.678 -12.158 -7.432 153 2HE LYS 21 2HE LYS 21 18.490 -10.658 -6.501 154 1HZ LYS 21 1HZ LYS 21 20.441 -12.755 -5.745 155 2HZ LYS 21 2HZ LYS 21 20.848 -11.490 -6.804 156 3HZ LYS 21 3HZ LYS 21 20.373 -11.147 -5.209 157 HA PRO 22 HA PRO 22 11.663 -14.770 -2.215 158 1HB PRO 22 1HB PRO 22 12.160 -17.479 -2.760 159 2HB PRO 22 2HB PRO 22 10.878 -16.496 -3.490 160 1HG PRO 22 1HG PRO 22 13.516 -17.273 -4.580 161 2HG PRO 22 2HG PRO 22 11.981 -16.993 -5.416 162 1HD PRO 22 1HD PRO 22 14.018 -15.227 -5.494 163 2HD PRO 22 2HD PRO 22 12.313 -14.725 -5.551 164 H TYR 23 H TYR 23 14.966 -14.816 -2.354 165 HA TYR 23 HA TYR 23 15.157 -16.000 0.383 166 1HB TYR 23 1HB TYR 23 17.261 -17.149 -0.430 167 2HB TYR 23 2HB TYR 23 15.777 -17.764 -1.158 168 HD1 TYR 23 HD1 TYR 23 18.622 -15.414 -1.707 169 HD2 TYR 23 HD2 TYR 23 15.424 -17.656 -3.498 170 HE1 TYR 23 HE1 TYR 23 19.492 -14.855 -3.962 171 HE2 TYR 23 HE2 TYR 23 16.294 -17.096 -5.752 172 HH TYR 23 HH TYR 23 17.728 -15.201 -6.748 173 H ILE 24 H ILE 24 17.145 -15.260 1.511 174 HA ILE 24 HA ILE 24 18.334 -12.788 0.304 175 HB ILE 24 HB ILE 24 16.448 -12.634 2.133 176 1HG1 ILE 24 1HG1 ILE 24 17.836 -10.746 1.291 177 2HG1 ILE 24 2HG1 ILE 24 17.480 -10.597 3.012 178 1HG2 ILE 24 1HG2 ILE 24 17.569 -14.289 3.641 179 2HG2 ILE 24 2HG2 ILE 24 18.886 -13.136 3.864 180 3HG2 ILE 24 3HG2 ILE 24 17.260 -12.737 4.421 181 1HD1 ILE 24 1HD1 ILE 24 19.793 -12.052 3.079 182 2HD1 ILE 24 2HD1 ILE 24 20.065 -11.043 1.659 183 3HD1 ILE 24 3HD1 ILE 24 19.726 -10.296 3.219 184 H LEU 25 H LEU 25 20.560 -12.582 0.635 185 HA LEU 25 HA LEU 25 22.001 -14.945 1.592 186 1HB LEU 25 1HB LEU 25 22.696 -12.260 0.396 187 2HB LEU 25 2HB LEU 25 23.952 -13.371 0.944 188 HG LEU 25 HG LEU 25 21.956 -14.749 -0.658 189 1HD1 LEU 25 1HD1 LEU 25 23.382 -12.355 -1.849 190 2HD1 LEU 25 2HD1 LEU 25 22.711 -13.664 -2.823 191 3HD1 LEU 25 3HD1 LEU 25 21.646 -12.669 -1.830 192 1HD2 LEU 25 1HD2 LEU 25 24.925 -14.394 -0.512 193 2HD2 LEU 25 2HD2 LEU 25 23.971 -15.877 -0.462 194 3HD2 LEU 25 3HD2 LEU 25 24.242 -15.054 -1.998 195 H ALA 26 H ALA 26 23.385 -14.995 3.415 196 HA ALA 26 HA ALA 26 22.600 -13.524 5.737 197 1HB ALA 26 1HB ALA 26 25.247 -14.902 5.199 198 2HB ALA 26 2HB ALA 26 24.444 -14.701 6.757 199 3HB ALA 26 3HB ALA 26 23.756 -15.780 5.543 200 H GLU 27 H GLU 27 25.422 -13.154 3.563 201 HA GLU 27 HA GLU 27 26.738 -11.045 4.906 202 1HB GLU 27 1HB GLU 27 26.429 -11.433 1.914 203 2HB GLU 27 2HB GLU 27 27.800 -10.721 2.759 204 1HG GLU 27 1HG GLU 27 27.676 -13.131 4.003 205 2HG GLU 27 2HG GLU 27 27.081 -13.571 2.401 206 H GLU 28 H GLU 28 23.994 -10.987 2.659 207 HA GLU 28 HA GLU 28 23.846 -8.164 2.250 208 1HB GLU 28 1HB GLU 28 22.104 -10.567 2.001 209 2HB GLU 28 2HB GLU 28 21.284 -9.004 2.030 210 1HG GLU 28 1HG GLU 28 23.636 -8.914 0.326 211 2HG GLU 28 2HG GLU 28 22.529 -10.190 -0.185 212 H LEU 29 H LEU 29 22.367 -10.288 4.715 213 HA LEU 29 HA LEU 29 20.776 -8.339 6.039 214 1HB LEU 29 1HB LEU 29 22.299 -10.746 7.099 215 2HB LEU 29 2HB LEU 29 20.988 -9.931 7.951 216 HG LEU 29 HG LEU 29 20.845 -11.498 5.373 217 1HD1 LEU 29 1HD1 LEU 29 20.100 -11.899 8.152 218 2HD1 LEU 29 2HD1 LEU 29 18.701 -12.056 7.089 219 3HD1 LEU 29 3HD1 LEU 29 20.127 -13.062 6.825 220 1HD2 LEU 29 1HD2 LEU 29 18.823 -9.555 6.534 221 2HD2 LEU 29 2HD2 LEU 29 19.620 -9.434 4.965 222 3HD2 LEU 29 3HD2 LEU 29 18.456 -10.724 5.266 223 H ARG 30 H ARG 30 24.226 -9.100 6.279 224 HA ARG 30 HA ARG 30 24.799 -7.515 8.609 225 1HB ARG 30 1HB ARG 30 26.547 -8.227 6.230 226 2HB ARG 30 2HB ARG 30 27.102 -7.825 7.853 227 1HG ARG 30 1HG ARG 30 25.231 -9.893 8.207 228 2HG ARG 30 2HG ARG 30 26.207 -10.376 6.818 229 1HD ARG 30 1HD ARG 30 27.251 -9.571 9.559 230 2HD ARG 30 2HD ARG 30 27.320 -11.187 8.827 231 HE ARG 30 HE ARG 30 29.056 -8.941 8.151 232 1HH1 ARG 30 1HH1 ARG 30 27.500 -11.819 7.043 233 2HH1 ARG 30 2HH1 ARG 30 28.670 -12.128 5.805 234 1HH2 ARG 30 1HH2 ARG 30 30.587 -9.336 6.541 235 2HH2 ARG 30 2HH2 ARG 30 30.417 -10.726 5.522 236 H ARG 31 H ARG 31 24.770 -6.809 5.116 237 HA ARG 31 HA ARG 31 25.538 -3.984 5.655 238 1HB ARG 31 1HB ARG 31 25.993 -5.896 3.630 239 2HB ARG 31 2HB ARG 31 24.961 -4.666 2.900 240 1HG ARG 31 1HG ARG 31 26.704 -3.083 4.250 241 2HG ARG 31 2HG ARG 31 27.752 -4.453 3.875 242 1HD ARG 31 1HD ARG 31 26.008 -3.340 1.695 243 2HD ARG 31 2HD ARG 31 27.507 -2.490 2.121 244 HE ARG 31 HE ARG 31 28.178 -5.217 1.970 245 1HH1 ARG 31 1HH1 ARG 31 26.901 -2.739 -0.070 246 2HH1 ARG 31 2HH1 ARG 31 27.582 -3.403 -1.518 247 1HH2 ARG 31 1HH2 ARG 31 29.069 -6.091 0.088 248 2HH2 ARG 31 2HH2 ARG 31 28.805 -5.299 -1.429 249 H GLU 32 H GLU 32 22.709 -5.871 5.216 250 HA GLU 32 HA GLU 32 21.135 -3.596 4.122 251 1HB GLU 32 1HB GLU 32 20.670 -6.536 4.646 252 2HB GLU 32 2HB GLU 32 19.341 -5.459 4.215 253 1HG GLU 32 1HG GLU 32 21.873 -5.674 2.571 254 2HG GLU 32 2HG GLU 32 20.442 -6.658 2.259 255 H LEU 33 H LEU 33 21.736 -5.289 7.129 256 HA LEU 33 HA LEU 33 19.776 -3.483 8.481 257 1HB LEU 33 1HB LEU 33 19.938 -6.425 8.287 258 2HB LEU 33 2HB LEU 33 19.699 -5.811 9.919 259 HG LEU 33 HG LEU 33 18.042 -4.676 7.696 260 1HD1 LEU 33 1HD1 LEU 33 18.141 -7.375 7.922 261 2HD1 LEU 33 2HD1 LEU 33 16.925 -7.012 9.147 262 3HD1 LEU 33 3HD1 LEU 33 16.677 -6.499 7.477 263 1HD2 LEU 33 1HD2 LEU 33 17.918 -4.991 10.669 264 2HD2 LEU 33 2HD2 LEU 33 17.539 -3.584 9.675 265 3HD2 LEU 33 3HD2 LEU 33 16.396 -4.923 9.781 266 HA PRO 34 HA PRO 34 22.930 -2.451 11.336 267 1HB PRO 34 1HB PRO 34 21.238 -3.510 13.545 268 2HB PRO 34 2HB PRO 34 21.961 -1.902 13.352 269 1HG PRO 34 1HG PRO 34 19.348 -2.327 12.995 270 2HG PRO 34 2HG PRO 34 20.250 -1.135 12.046 271 1HD PRO 34 1HD PRO 34 19.224 -3.798 11.243 272 2HD PRO 34 2HD PRO 34 19.453 -2.328 10.272 273 HA PRO 35 HA PRO 35 25.113 -6.118 12.269 274 1HB PRO 35 1HB PRO 35 26.087 -5.695 14.841 275 2HB PRO 35 2HB PRO 35 26.831 -5.065 13.359 276 1HG PRO 35 1HG PRO 35 25.090 -3.699 15.330 277 2HG PRO 35 2HG PRO 35 26.442 -3.065 14.380 278 1HD PRO 35 1HD PRO 35 23.856 -2.546 13.780 279 2HD PRO 35 2HD PRO 35 25.132 -2.642 12.548 280 H ASP 36 H ASP 36 23.141 -5.021 15.038 281 HA ASP 36 HA ASP 36 22.858 -7.593 16.282 282 1HB ASP 36 1HB ASP 36 21.956 -4.879 16.564 283 2HB ASP 36 2HB ASP 36 20.575 -5.960 16.750 284 H GLN 37 H GLN 37 20.856 -5.868 13.876 285 HA GLN 37 HA GLN 37 18.747 -7.835 13.798 286 1HB GLN 37 1HB GLN 37 19.689 -5.471 12.249 287 2HB GLN 37 2HB GLN 37 18.598 -6.577 11.416 288 1HG GLN 37 1HG GLN 37 17.212 -4.946 12.501 289 2HG GLN 37 2HG GLN 37 17.078 -6.428 13.450 290 2HE2 GLN 37 2HE2 GLN 37 16.795 -5.562 15.554 291 1HE2 GLN 37 1HE2 GLN 37 17.914 -4.530 16.304 292 H ALA 38 H ALA 38 21.734 -7.377 11.918 293 HA ALA 38 HA ALA 38 21.271 -9.319 9.894 294 1HB ALA 38 1HB ALA 38 23.902 -8.640 11.236 295 2HB ALA 38 2HB ALA 38 23.091 -7.555 10.105 296 3HB ALA 38 3HB ALA 38 23.652 -9.136 9.562 297 H GLN 39 H GLN 39 22.839 -9.670 13.095 298 HA GLN 39 HA GLN 39 23.434 -12.469 12.837 299 1HB GLN 39 1HB GLN 39 24.387 -10.770 14.451 300 2HB GLN 39 2HB GLN 39 22.868 -10.859 15.343 301 1HG GLN 39 1HG GLN 39 23.190 -13.201 15.812 302 2HG GLN 39 2HG GLN 39 24.579 -13.280 14.728 303 2HE2 GLN 39 2HE2 GLN 39 23.681 -10.938 17.331 304 1HE2 GLN 39 1HE2 GLN 39 25.149 -11.089 18.169 305 H TYR 40 H TYR 40 20.673 -10.744 14.314 306 HA TYR 40 HA TYR 40 19.303 -13.066 15.287 307 1HB TYR 40 1HB TYR 40 19.025 -10.268 15.234 308 2HB TYR 40 2HB TYR 40 17.576 -10.885 14.442 309 HD1 TYR 40 HD1 TYR 40 19.723 -11.519 17.453 310 HD2 TYR 40 HD2 TYR 40 15.780 -11.599 15.753 311 HE1 TYR 40 HE1 TYR 40 18.785 -12.153 19.659 312 HE2 TYR 40 HE2 TYR 40 14.842 -12.234 17.958 313 HH TYR 40 HH TYR 40 16.106 -13.539 20.186 314 H CYS 41 H CYS 41 19.049 -11.276 12.205 315 HA CYS 41 HA CYS 41 16.868 -12.757 11.102 316 1HB CYS 41 1HB CYS 41 19.172 -11.139 10.023 317 2HB CYS 41 2HB CYS 41 18.024 -11.908 8.927 318 HG CYS 41 HG CYS 41 17.448 -9.465 10.676 319 H ILE 42 H ILE 42 20.405 -13.211 10.728 320 HA ILE 42 HA ILE 42 20.137 -15.568 9.059 321 HB ILE 42 HB ILE 42 22.433 -14.528 10.753 322 1HG1 ILE 42 1HG1 ILE 42 21.863 -14.058 7.812 323 2HG1 ILE 42 2HG1 ILE 42 21.416 -12.913 9.078 324 1HG2 ILE 42 1HG2 ILE 42 22.146 -16.681 8.706 325 2HG2 ILE 42 2HG2 ILE 42 23.610 -15.698 8.648 326 3HG2 ILE 42 3HG2 ILE 42 23.210 -16.601 10.110 327 1HD1 ILE 42 1HD1 ILE 42 24.228 -13.913 8.535 328 2HD1 ILE 42 2HD1 ILE 42 23.601 -12.331 8.070 329 3HD1 ILE 42 3HD1 ILE 42 23.770 -12.746 9.776 330 H LYS 43 H LYS 43 19.829 -15.041 12.445 331 HA LYS 43 HA LYS 43 20.772 -17.646 13.346 332 1HB LYS 43 1HB LYS 43 20.163 -15.202 14.461 333 2HB LYS 43 2HB LYS 43 18.793 -16.189 14.974 334 1HG LYS 43 1HG LYS 43 20.769 -17.936 15.489 335 2HG LYS 43 2HG LYS 43 21.676 -16.436 15.682 336 1HD LYS 43 1HD LYS 43 20.198 -15.647 17.385 337 2HD LYS 43 2HD LYS 43 19.011 -16.904 17.032 338 1HE LYS 43 1HE LYS 43 21.701 -17.932 17.713 339 2HE LYS 43 2HE LYS 43 20.859 -17.104 19.039 340 1HZ LYS 43 1HZ LYS 43 19.553 -19.111 17.287 341 2HZ LYS 43 2HZ LYS 43 20.280 -19.516 18.768 342 3HZ LYS 43 3HZ LYS 43 18.957 -18.456 18.736 343 H ARG 44 H ARG 44 17.795 -16.435 11.998 344 HA ARG 44 HA ARG 44 16.395 -18.966 12.789 345 1HB ARG 44 1HB ARG 44 15.561 -16.130 12.239 346 2HB ARG 44 2HB ARG 44 14.387 -17.434 12.049 347 1HG ARG 44 1HG ARG 44 14.053 -16.971 14.285 348 2HG ARG 44 2HG ARG 44 15.360 -18.147 14.434 349 1HD ARG 44 1HD ARG 44 16.857 -15.933 14.123 350 2HD ARG 44 2HD ARG 44 15.422 -15.197 14.865 351 HE ARG 44 HE ARG 44 17.265 -17.007 16.195 352 1HH1 ARG 44 1HH1 ARG 44 13.976 -15.988 15.909 353 2HH1 ARG 44 2HH1 ARG 44 13.558 -16.449 17.525 354 1HH2 ARG 44 1HH2 ARG 44 16.730 -17.610 18.303 355 2HH2 ARG 44 2HH2 ARG 44 15.115 -17.366 18.879 356 H MET 45 H MET 45 16.711 -16.642 10.082 357 HA MET 45 HA MET 45 15.396 -17.740 7.987 358 1HB MET 45 1HB MET 45 17.469 -15.992 8.341 359 2HB MET 45 2HB MET 45 18.260 -17.270 7.418 360 1HG MET 45 1HG MET 45 17.026 -16.861 5.539 361 2HG MET 45 2HG MET 45 15.577 -16.463 6.460 362 1HE MET 45 1HE MET 45 15.310 -14.771 7.875 363 2HE MET 45 2HE MET 45 16.528 -13.581 8.321 364 3HE MET 45 3HE MET 45 15.291 -13.162 7.141 365 HA PRO 46 HA PRO 46 17.012 -21.981 8.441 366 1HB PRO 46 1HB PRO 46 14.803 -22.517 6.536 367 2HB PRO 46 2HB PRO 46 15.169 -23.301 8.084 368 1HG PRO 46 1HG PRO 46 13.108 -21.616 7.784 369 2HG PRO 46 2HG PRO 46 14.015 -21.754 9.298 370 1HD PRO 46 1HD PRO 46 14.093 -19.614 7.239 371 2HD PRO 46 2HD PRO 46 14.314 -19.507 8.999 372 H ALA 47 H ALA 47 16.617 -23.538 6.015 373 HA ALA 47 HA ALA 47 18.611 -22.166 4.280 374 1HB ALA 47 1HB ALA 47 17.577 -25.019 4.278 375 2HB ALA 47 2HB ALA 47 18.954 -24.470 5.234 376 3HB ALA 47 3HB ALA 47 19.030 -24.424 3.473 377 H TYR 48 H TYR 48 17.957 -21.295 2.353 378 HA TYR 48 HA TYR 48 15.388 -20.943 1.421 379 1HB TYR 48 1HB TYR 48 16.421 -20.367 -0.640 380 2HB TYR 48 2HB TYR 48 17.692 -20.129 0.558 381 HD1 TYR 48 HD1 TYR 48 17.338 -21.201 -2.617 382 HD2 TYR 48 HD2 TYR 48 18.731 -22.737 1.148 383 HE1 TYR 48 HE1 TYR 48 18.763 -22.844 -3.809 384 HE2 TYR 48 HE2 TYR 48 20.153 -24.375 -0.045 385 HH TYR 48 HH TYR 48 20.183 -25.494 -2.286 386 H SER 49 H SER 49 13.922 -22.129 0.120 387 HA SER 49 HA SER 49 14.583 -25.037 -0.218 388 1HB SER 49 1HB SER 49 12.186 -25.390 0.124 389 2HB SER 49 2HB SER 49 12.818 -24.398 1.435 390 HG SER 49 HG SER 49 10.969 -23.425 0.672 391 H GLY 50 H GLY 50 14.544 -22.346 -2.020 392 1HA GLY 50 1HA GLY 50 13.571 -21.827 -4.185 393 2HA GLY 50 2HA GLY 50 12.977 -23.486 -4.279 394 HA PRO 51 HA PRO 51 16.790 -24.749 -6.048 395 1HB PRO 51 1HB PRO 51 15.788 -25.343 -8.587 396 2HB PRO 51 2HB PRO 51 15.776 -26.447 -7.199 397 1HG PRO 51 1HG PRO 51 13.599 -24.774 -8.306 398 2HG PRO 51 2HG PRO 51 13.524 -26.358 -7.520 399 1HD PRO 51 1HD PRO 51 12.782 -24.071 -6.283 400 2HD PRO 51 2HD PRO 51 13.467 -25.460 -5.412 401 H GLY 52 H GLY 52 18.334 -23.974 -7.635 402 1HA GLY 52 1HA GLY 52 17.510 -21.595 -9.218 403 2HA GLY 52 2HA GLY 52 18.996 -22.516 -9.457 404 H SER 53 H SER 53 17.909 -21.566 -6.265 405 HA SER 53 HA SER 53 19.127 -19.097 -5.924 406 1HB SER 53 1HB SER 53 17.933 -21.143 -4.390 407 2HB SER 53 2HB SER 53 19.447 -20.727 -3.594 408 HG SER 53 HG SER 53 17.162 -19.201 -4.043 409 H VAL 54 H VAL 54 20.976 -19.535 -3.788 410 HA VAL 54 HA VAL 54 23.327 -20.651 -5.286 411 HB VAL 54 HB VAL 54 24.569 -18.956 -3.821 412 1HG1 VAL 54 1HG1 VAL 54 24.040 -18.551 -6.206 413 2HG1 VAL 54 2HG1 VAL 54 22.469 -17.898 -5.740 414 3HG1 VAL 54 3HG1 VAL 54 23.949 -17.063 -5.266 415 1HG2 VAL 54 1HG2 VAL 54 22.483 -18.817 -2.271 416 2HG2 VAL 54 2HG2 VAL 54 23.348 -17.323 -2.635 417 3HG2 VAL 54 3HG2 VAL 54 21.847 -17.701 -3.480 418 HA PRO 55 HA PRO 55 24.125 -23.115 -1.743 419 1HB PRO 55 1HB PRO 55 26.878 -22.782 -1.351 420 2HB PRO 55 2HB PRO 55 26.133 -23.882 -2.526 421 1HG PRO 55 1HG PRO 55 27.297 -21.186 -2.932 422 2HG PRO 55 2HG PRO 55 27.289 -22.592 -4.009 423 1HD PRO 55 1HD PRO 55 25.683 -20.473 -4.412 424 2HD PRO 55 2HD PRO 55 25.183 -22.131 -4.818 425 H GLY 56 H GLY 56 24.044 -19.917 -1.392 426 1HA GLY 56 1HA GLY 56 25.317 -18.789 0.637 427 2HA GLY 56 2HA GLY 56 24.514 -20.078 1.537 428 H ALA 57 H ALA 57 22.053 -20.098 0.113 429 HA ALA 57 HA ALA 57 20.986 -17.336 0.586 430 1HB ALA 57 1HB ALA 57 19.988 -19.676 -1.072 431 2HB ALA 57 2HB ALA 57 20.773 -18.224 -1.692 432 3HB ALA 57 3HB ALA 57 19.179 -18.114 -0.948 433 H LEU 58 H LEU 58 19.490 -17.079 2.209 434 HA LEU 58 HA LEU 58 18.452 -19.556 3.549 435 1HB LEU 58 1HB LEU 58 19.050 -16.771 4.604 436 2HB LEU 58 2HB LEU 58 18.423 -18.103 5.573 437 HG LEU 58 HG LEU 58 20.762 -18.138 5.960 438 1HD1 LEU 58 1HD1 LEU 58 19.538 -20.295 4.892 439 2HD1 LEU 58 2HD1 LEU 58 20.816 -20.070 3.701 440 3HD1 LEU 58 3HD1 LEU 58 21.226 -20.311 5.398 441 1HD2 LEU 58 1HD2 LEU 58 20.920 -16.803 3.538 442 2HD2 LEU 58 2HD2 LEU 58 22.298 -17.346 4.494 443 3HD2 LEU 58 3HD2 LEU 58 21.685 -18.352 3.183 444 H ASP 59 H ASP 59 16.234 -19.331 4.459 445 HA ASP 59 HA ASP 59 14.560 -17.497 2.785 446 1HB ASP 59 1HB ASP 59 14.451 -20.262 3.667 447 2HB ASP 59 2HB ASP 59 12.977 -19.407 4.119 448 H TYR 60 H TYR 60 14.122 -15.639 3.940 449 HA TYR 60 HA TYR 60 13.999 -15.547 6.846 450 1HB TYR 60 1HB TYR 60 13.303 -13.190 6.327 451 2HB TYR 60 2HB TYR 60 14.760 -13.675 5.459 452 HD1 TYR 60 HD1 TYR 60 14.856 -13.542 3.120 453 HD2 TYR 60 HD2 TYR 60 11.039 -13.498 5.092 454 HE1 TYR 60 HE1 TYR 60 13.742 -13.069 0.955 455 HE2 TYR 60 HE2 TYR 60 9.926 -13.024 2.926 456 HH TYR 60 HH TYR 60 11.780 -12.909 -0.105 457 H ALA 61 H ALA 61 11.696 -15.988 4.233 458 HA ALA 61 HA ALA 61 9.275 -15.228 5.477 459 1HB ALA 61 1HB ALA 61 9.996 -17.445 3.538 460 2HB ALA 61 2HB ALA 61 8.333 -16.988 3.905 461 3HB ALA 61 3HB ALA 61 9.418 -15.827 3.142 462 H ALA 62 H ALA 62 11.103 -18.283 5.716 463 HA ALA 62 HA ALA 62 9.167 -19.702 7.287 464 1HB ALA 62 1HB ALA 62 12.188 -19.924 7.164 465 2HB ALA 62 2HB ALA 62 11.070 -20.701 6.044 466 3HB ALA 62 3HB ALA 62 11.092 -21.178 7.741 467 H PHE 63 H PHE 63 11.887 -17.629 8.126 468 HA PHE 63 HA PHE 63 11.687 -18.002 10.993 469 1HB PHE 63 1HB PHE 63 13.755 -17.281 10.041 470 2HB PHE 63 2HB PHE 63 12.971 -15.981 9.143 471 HD1 PHE 63 HD1 PHE 63 12.064 -16.804 12.616 472 HD2 PHE 63 HD2 PHE 63 14.363 -14.208 10.082 473 HE1 PHE 63 HE1 PHE 63 12.428 -15.264 14.526 474 HE2 PHE 63 HE2 PHE 63 14.727 -12.667 11.991 475 HZ PHE 63 HZ PHE 63 13.760 -13.195 14.213 476 H SER 64 H SER 64 10.333 -15.686 8.677 477 HA SER 64 HA SER 64 9.352 -13.710 10.441 478 1HB SER 64 1HB SER 64 8.444 -14.860 7.802 479 2HB SER 64 2HB SER 64 7.583 -13.520 8.553 480 HG SER 64 HG SER 64 9.079 -12.342 7.669 481 H SER 65 H SER 65 7.665 -16.654 9.266 482 HA SER 65 HA SER 65 5.233 -16.319 10.662 483 1HB SER 65 1HB SER 65 5.318 -18.918 10.543 484 2HB SER 65 2HB SER 65 5.395 -18.019 9.031 485 HG SER 65 HG SER 65 7.133 -19.748 9.952 486 H ALA 66 H ALA 66 8.242 -17.920 11.753 487 HA ALA 66 HA ALA 66 7.346 -18.853 14.271 488 1HB ALA 66 1HB ALA 66 9.616 -19.229 14.628 489 2HB ALA 66 2HB ALA 66 10.085 -17.690 13.902 490 3HB ALA 66 3HB ALA 66 9.595 -19.038 12.874 491 H LEU 67 H LEU 67 8.600 -15.650 13.340 492 HA LEU 67 HA LEU 67 8.796 -14.499 15.934 493 1HB LEU 67 1HB LEU 67 8.367 -13.539 13.119 494 2HB LEU 67 2HB LEU 67 8.282 -12.378 14.444 495 HG LEU 67 HG LEU 67 10.609 -14.261 13.966 496 1HD1 LEU 67 1HD1 LEU 67 10.317 -12.502 12.195 497 2HD1 LEU 67 2HD1 LEU 67 10.427 -11.277 13.458 498 3HD1 LEU 67 3HD1 LEU 67 11.805 -12.324 13.122 499 1HD2 LEU 67 1HD2 LEU 67 9.808 -12.906 16.266 500 2HD2 LEU 67 2HD2 LEU 67 11.429 -13.521 15.942 501 3HD2 LEU 67 3HD2 LEU 67 11.028 -11.847 15.560 502 H TYR 68 H TYR 68 6.032 -14.765 13.704 503 HA TYR 68 HA TYR 68 4.257 -13.273 15.515 504 1HB TYR 68 1HB TYR 68 3.526 -14.887 13.065 505 2HB TYR 68 2HB TYR 68 2.737 -13.444 13.694 506 HD1 TYR 68 HD1 TYR 68 4.639 -11.450 14.101 507 HD2 TYR 68 HD2 TYR 68 4.688 -14.508 11.087 508 HE1 TYR 68 HE1 TYR 68 6.115 -10.039 12.696 509 HE2 TYR 68 HE2 TYR 68 6.162 -13.095 9.679 510 HH TYR 68 HH TYR 68 7.756 -11.251 9.969 511 H GLY 69 H GLY 69 5.132 -16.588 14.874 512 1HA GLY 69 1HA GLY 69 3.062 -17.452 16.846 513 2HA GLY 69 2HA GLY 69 4.601 -18.275 16.591 514 H GLU 70 H GLU 70 2.246 -17.106 14.181 515 HA GLU 70 HA GLU 70 2.417 -19.568 12.658 516 1HB GLU 70 1HB GLU 70 1.044 -19.994 14.855 517 2HB GLU 70 2HB GLU 70 -0.239 -19.129 14.008 518 1HG GLU 70 1HG GLU 70 0.160 -20.727 12.055 519 2HG GLU 70 2HG GLU 70 1.142 -21.683 13.165 520 H SER 71 H SER 71 2.606 -18.125 10.867 521 HA SER 71 HA SER 71 0.905 -15.897 10.332 522 1HB SER 71 1HB SER 71 3.129 -17.108 9.244 523 2HB SER 71 2HB SER 71 1.902 -17.434 8.023 524 HG SER 71 HG SER 71 2.891 -14.984 8.986 525 H ASP 72 H ASP 72 0.847 -19.003 8.546 526 HA ASP 72 HA ASP 72 -1.846 -18.584 7.578 527 1HB ASP 72 1HB ASP 72 0.147 -19.986 6.666 528 2HB ASP 72 2HB ASP 72 -0.406 -21.230 7.788 529 H LEU 73 H LEU 73 -3.419 -18.456 9.194 530 HA LEU 73 HA LEU 73 -4.824 -19.186 10.950 531 1HB LEU 73 1HB LEU 73 -3.979 -21.450 9.298 532 2HB LEU 73 2HB LEU 73 -4.433 -21.944 10.930 533 HG LEU 73 HG LEU 73 -6.380 -20.072 10.197 534 1HD1 LEU 73 1HD1 LEU 73 -5.363 -20.523 7.836 535 2HD1 LEU 73 2HD1 LEU 73 -6.177 -22.082 7.963 536 3HD1 LEU 73 3HD1 LEU 73 -7.115 -20.590 8.025 537 1HD2 LEU 73 1HD2 LEU 73 -6.361 -22.450 11.382 538 2HD2 LEU 73 2HD2 LEU 73 -7.831 -21.834 10.626 539 3HD2 LEU 73 3HD2 LEU 73 -6.825 -23.005 9.773 540 H GLY 7 H GLY 7 12.004 5.325 -4.504 541 1HA GLY 7 1HA GLY 7 13.670 3.250 -4.199 542 2HA GLY 7 2HA GLY 7 12.205 2.375 -4.650 543 H LYS 8 H LYS 8 13.104 1.738 -2.221 544 HA LYS 8 HA LYS 8 12.228 3.460 -0.065 545 1HB LYS 8 1HB LYS 8 10.177 2.115 0.470 546 2HB LYS 8 2HB LYS 8 10.052 2.977 -1.064 547 1HG LYS 8 1HG LYS 8 10.115 1.055 -2.307 548 2HG LYS 8 2HG LYS 8 11.211 0.245 -1.188 549 1HD LYS 8 1HD LYS 8 9.143 -0.902 -0.953 550 2HD LYS 8 2HD LYS 8 9.228 0.171 0.444 551 1HE LYS 8 1HE LYS 8 7.867 1.858 -0.840 552 2HE LYS 8 2HE LYS 8 7.662 0.641 -2.116 553 1HZ LYS 8 1HZ LYS 8 7.012 -0.880 -0.152 554 2HZ LYS 8 2HZ LYS 8 6.714 0.574 0.675 555 3HZ LYS 8 3HZ LYS 8 5.863 0.219 -0.749 556 H LYS 9 H LYS 9 14.442 1.610 -0.771 557 HA LYS 9 HA LYS 9 14.330 -0.865 0.615 558 1HB LYS 9 1HB LYS 9 16.103 0.385 -0.943 559 2HB LYS 9 2HB LYS 9 16.817 0.797 0.616 560 1HG LYS 9 1HG LYS 9 16.426 -1.786 1.094 561 2HG LYS 9 2HG LYS 9 16.485 -1.886 -0.666 562 1HD LYS 9 1HD LYS 9 18.602 -0.519 1.017 563 2HD LYS 9 2HD LYS 9 18.726 -2.181 0.440 564 1HE LYS 9 1HE LYS 9 18.586 -1.412 -1.894 565 2HE LYS 9 2HE LYS 9 18.411 0.266 -1.338 566 1HZ LYS 9 1HZ LYS 9 20.676 -1.502 -0.585 567 2HZ LYS 9 2HZ LYS 9 20.743 -0.374 -1.855 568 3HZ LYS 9 3HZ LYS 9 20.519 0.154 -0.257 569 H ALA 10 H ALA 10 15.226 2.390 1.780 570 HA ALA 10 HA ALA 10 16.014 1.655 4.421 571 1HB ALA 10 1HB ALA 10 15.636 4.042 4.870 572 2HB ALA 10 2HB ALA 10 16.372 3.846 3.279 573 3HB ALA 10 3HB ALA 10 14.644 4.173 3.418 574 H GLU 11 H GLU 11 12.825 2.338 3.018 575 HA GLU 11 HA GLU 11 11.339 2.428 5.469 576 1HB GLU 11 1HB GLU 11 10.887 2.165 2.559 577 2HB GLU 11 2HB GLU 11 9.604 1.488 3.563 578 1HG GLU 11 1HG GLU 11 8.974 3.532 4.372 579 2HG GLU 11 2HG GLU 11 10.629 4.143 4.399 580 H ALA 12 H ALA 12 12.111 -0.262 3.245 581 HA ALA 12 HA ALA 12 10.605 -2.284 4.598 582 1HB ALA 12 1HB ALA 12 13.186 -2.481 3.010 583 2HB ALA 12 2HB ALA 12 11.573 -2.399 2.302 584 3HB ALA 12 3HB ALA 12 12.035 -3.789 3.283 585 H VAL 13 H VAL 13 13.894 -1.039 5.081 586 HA VAL 13 HA VAL 13 14.840 -3.026 6.898 587 HB VAL 13 HB VAL 13 15.399 -0.061 6.574 588 1HG1 VAL 13 1HG1 VAL 13 16.367 -2.010 8.533 589 2HG1 VAL 13 2HG1 VAL 13 17.674 -1.273 7.608 590 3HG1 VAL 13 3HG1 VAL 13 16.551 -0.256 8.511 591 1HG2 VAL 13 1HG2 VAL 13 15.813 -1.816 4.688 592 2HG2 VAL 13 2HG2 VAL 13 17.122 -0.709 5.105 593 3HG2 VAL 13 3HG2 VAL 13 17.140 -2.366 5.711 594 H ALA 14 H ALA 14 13.066 0.021 7.464 595 HA ALA 14 HA ALA 14 13.091 0.000 10.308 596 1HB ALA 14 1HB ALA 14 11.289 1.074 8.146 597 2HB ALA 14 2HB ALA 14 12.369 1.959 9.223 598 3HB ALA 14 3HB ALA 14 10.858 1.292 9.843 599 H THR 15 H THR 15 10.751 -1.433 8.012 600 HA THR 15 HA THR 15 8.939 -2.459 9.980 601 HB THR 15 HB THR 15 9.648 -3.280 7.148 602 HG1 THR 15 HG1 THR 15 7.298 -2.002 7.960 603 1HG2 THR 15 1HG2 THR 15 7.994 -4.605 9.097 604 2HG2 THR 15 2HG2 THR 15 6.986 -3.988 7.788 605 3HG2 THR 15 3HG2 THR 15 8.329 -5.075 7.431 606 H VAL 16 H VAL 16 11.621 -4.058 8.211 607 HA VAL 16 HA VAL 16 11.395 -6.608 9.467 608 HB VAL 16 HB VAL 16 13.755 -5.082 8.319 609 1HG1 VAL 16 1HG1 VAL 16 14.355 -7.025 9.835 610 2HG1 VAL 16 2HG1 VAL 16 13.478 -8.073 8.719 611 3HG1 VAL 16 3HG1 VAL 16 14.904 -7.194 8.168 612 1HG2 VAL 16 1HG2 VAL 16 11.424 -6.278 7.160 613 2HG2 VAL 16 2HG2 VAL 16 12.785 -5.519 6.334 614 3HG2 VAL 16 3HG2 VAL 16 12.826 -7.245 6.699 615 H VAL 17 H VAL 17 13.359 -3.750 10.344 616 HA VAL 17 HA VAL 17 14.691 -4.914 12.591 617 HB VAL 17 HB VAL 17 13.865 -2.072 11.921 618 1HG1 VAL 17 1HG1 VAL 17 14.511 -2.643 14.375 619 2HG1 VAL 17 2HG1 VAL 17 16.139 -2.869 13.734 620 3HG1 VAL 17 3HG1 VAL 17 15.344 -1.302 13.588 621 1HG2 VAL 17 1HG2 VAL 17 15.366 -3.411 10.326 622 2HG2 VAL 17 2HG2 VAL 17 16.015 -1.876 10.904 623 3HG2 VAL 17 3HG2 VAL 17 16.570 -3.392 11.614 624 H ALA 18 H ALA 18 11.699 -2.952 12.417 625 HA ALA 18 HA ALA 18 11.087 -2.854 15.172 626 1HB ALA 18 1HB ALA 18 9.989 -1.695 13.190 627 2HB ALA 18 2HB ALA 18 9.127 -3.204 12.885 628 3HB ALA 18 3HB ALA 18 8.865 -2.328 14.393 629 H ALA 19 H ALA 19 10.250 -5.354 12.760 630 HA ALA 19 HA ALA 19 8.725 -7.015 14.543 631 1HB ALA 19 1HB ALA 19 8.580 -7.168 12.121 632 2HB ALA 19 2HB ALA 19 10.296 -7.555 12.004 633 3HB ALA 19 3HB ALA 19 9.181 -8.710 12.732 634 H VAL 20 H VAL 20 12.159 -7.089 13.548 635 HA VAL 20 HA VAL 20 12.873 -9.426 15.057 636 HB VAL 20 HB VAL 20 14.429 -7.019 14.062 637 1HG1 VAL 20 1HG1 VAL 20 15.412 -9.708 15.066 638 2HG1 VAL 20 2HG1 VAL 20 16.419 -8.489 14.286 639 3HG1 VAL 20 3HG1 VAL 20 15.674 -8.149 15.847 640 1HG2 VAL 20 1HG2 VAL 20 13.168 -9.154 12.720 641 2HG2 VAL 20 2HG2 VAL 20 14.340 -8.023 12.044 642 3HG2 VAL 20 3HG2 VAL 20 14.886 -9.553 12.730 643 H ASP 21 H ASP 21 13.107 -5.936 15.809 644 HA ASP 21 HA ASP 21 14.363 -6.127 18.340 645 1HB ASP 21 1HB ASP 21 13.428 -4.167 16.702 646 2HB ASP 21 2HB ASP 21 12.207 -4.119 17.975 647 H GLN 22 H GLN 22 10.955 -6.521 17.434 648 HA GLN 22 HA GLN 22 9.805 -6.491 20.041 649 1HB GLN 22 1HB GLN 22 9.032 -6.864 17.385 650 2HB GLN 22 2HB GLN 22 8.617 -8.391 18.165 651 1HG GLN 22 1HG GLN 22 7.910 -5.830 19.552 652 2HG GLN 22 2HG GLN 22 6.911 -6.368 18.201 653 2HE2 GLN 22 2HE2 GLN 22 6.446 -6.339 21.269 654 1HE2 GLN 22 1HE2 GLN 22 5.933 -7.921 21.609 655 H ALA 23 H ALA 23 10.940 -9.269 18.074 656 HA ALA 23 HA ALA 23 10.413 -11.300 20.001 657 1HB ALA 23 1HB ALA 23 11.443 -12.626 18.428 658 2HB ALA 23 2HB ALA 23 11.255 -11.179 17.437 659 3HB ALA 23 3HB ALA 23 12.796 -11.512 18.228 660 H ARG 24 H ARG 24 13.217 -9.162 19.565 661 HA ARG 24 HA ARG 24 14.928 -10.503 21.472 662 1HB ARG 24 1HB ARG 24 15.480 -8.851 19.574 663 2HB ARG 24 2HB ARG 24 14.979 -7.581 20.691 664 1HG ARG 24 1HG ARG 24 16.801 -7.868 22.054 665 2HG ARG 24 2HG ARG 24 16.883 -9.603 21.753 666 1HD ARG 24 1HD ARG 24 18.817 -8.401 20.732 667 2HD ARG 24 2HD ARG 24 17.804 -9.164 19.490 668 HE ARG 24 HE ARG 24 17.159 -7.006 18.771 669 1HH1 ARG 24 1HH1 ARG 24 18.503 -6.957 21.952 670 2HH1 ARG 24 2HH1 ARG 24 18.510 -5.230 22.061 671 1HH2 ARG 24 1HH2 ARG 24 17.162 -4.754 18.903 672 2HH2 ARG 24 2HH2 ARG 24 17.752 -3.983 20.337 673 H VAL 25 H VAL 25 12.491 -7.947 21.724 674 HA VAL 25 HA VAL 25 13.101 -6.879 24.256 675 HB VAL 25 HB VAL 25 10.481 -7.452 22.853 676 1HG1 VAL 25 1HG1 VAL 25 11.038 -5.697 25.264 677 2HG1 VAL 25 2HG1 VAL 25 9.516 -5.739 24.374 678 3HG1 VAL 25 3HG1 VAL 25 10.063 -7.166 25.255 679 1HG2 VAL 25 1HG2 VAL 25 12.486 -5.777 22.118 680 2HG2 VAL 25 2HG2 VAL 25 10.785 -5.442 21.795 681 3HG2 VAL 25 3HG2 VAL 25 11.577 -4.713 23.193 682 H ARG 26 H ARG 26 11.803 -10.000 23.435 683 HA ARG 26 HA ARG 26 11.120 -10.538 26.292 684 1HB ARG 26 1HB ARG 26 9.951 -12.492 25.326 685 2HB ARG 26 2HB ARG 26 9.453 -11.006 24.516 686 1HG ARG 26 1HG ARG 26 10.681 -11.491 22.585 687 2HG ARG 26 2HG ARG 26 11.748 -12.616 23.426 688 1HD ARG 26 1HD ARG 26 8.787 -13.173 23.135 689 2HD ARG 26 2HD ARG 26 9.960 -13.674 21.902 690 HE ARG 26 HE ARG 26 10.770 -14.394 24.614 691 1HH1 ARG 26 1HH1 ARG 26 8.952 -15.259 21.807 692 2HH1 ARG 26 2HH1 ARG 26 8.999 -16.956 22.141 693 1HH2 ARG 26 1HH2 ARG 26 10.838 -16.609 25.059 694 2HH2 ARG 26 2HH2 ARG 26 10.064 -17.721 23.981 695 H GLU 27 H GLU 27 13.894 -10.472 24.867 696 HA GLU 27 HA GLU 27 14.751 -13.272 25.485 697 1HB GLU 27 1HB GLU 27 15.121 -11.990 23.234 698 2HB GLU 27 2HB GLU 27 16.389 -11.142 24.119 699 1HG GLU 27 1HG GLU 27 17.446 -13.294 24.686 700 2HG GLU 27 2HG GLU 27 16.177 -14.152 23.812 701 HA PRO 28 HA PRO 28 16.838 -11.481 28.933 702 1HB PRO 28 1HB PRO 28 18.270 -13.730 29.699 703 2HB PRO 28 2HB PRO 28 16.568 -13.438 30.101 704 1HG PRO 28 1HG PRO 28 17.745 -15.144 27.978 705 2HG PRO 28 2HG PRO 28 16.300 -15.404 28.968 706 1HD PRO 28 1HD PRO 28 16.178 -14.605 26.390 707 2HD PRO 28 2HD PRO 28 14.970 -14.125 27.602 708 H ARG 29 H ARG 29 18.266 -10.036 27.797 709 HA ARG 29 HA ARG 29 20.822 -11.117 26.750 710 1HB ARG 29 1HB ARG 29 19.540 -9.460 25.470 711 2HB ARG 29 2HB ARG 29 19.581 -8.348 26.840 712 1HG ARG 29 1HG ARG 29 22.262 -9.177 26.289 713 2HG ARG 29 2HG ARG 29 21.524 -8.660 24.773 714 1HD ARG 29 1HD ARG 29 20.698 -6.782 26.735 715 2HD ARG 29 2HD ARG 29 22.445 -7.014 26.948 716 HE ARG 29 HE ARG 29 21.203 -5.760 24.662 717 1HH1 ARG 29 1HH1 ARG 29 23.715 -7.910 25.658 718 2HH1 ARG 29 2HH1 ARG 29 24.744 -7.534 24.318 719 1HH2 ARG 29 1HH2 ARG 29 22.539 -5.259 22.912 720 2HH2 ARG 29 2HH2 ARG 29 24.081 -6.035 22.766 No H/Q in entry = 720 Start of MODEL 26 1 H MET 1 H MET 1 -0.775 -1.194 -0.066 2 HA MET 1 HA MET 1 -1.925 -1.697 1.958 3 1HB MET 1 1HB MET 1 -4.056 -1.581 -0.201 4 2HB MET 1 2HB MET 1 -4.396 -1.469 1.526 5 1HG MET 1 1HG MET 1 -2.393 0.387 1.229 6 2HG MET 1 2HG MET 1 -3.265 0.548 -0.296 7 1HE MET 1 1HE MET 1 -2.552 1.769 2.556 8 2HE MET 1 2HE MET 1 -3.776 3.030 2.760 9 3HE MET 1 3HE MET 1 -3.810 1.590 3.775 10 H ALA 2 H ALA 2 -3.565 -3.287 2.974 11 HA ALA 2 HA ALA 2 -4.042 -5.813 1.573 12 1HB ALA 2 1HB ALA 2 -2.290 -6.177 3.936 13 2HB ALA 2 2HB ALA 2 -1.516 -5.433 2.538 14 3HB ALA 2 3HB ALA 2 -2.273 -7.019 2.386 15 H ASP 3 H ASP 3 -3.981 -7.327 4.112 16 HA ASP 3 HA ASP 3 -5.720 -5.940 6.013 17 1HB ASP 3 1HB ASP 3 -7.634 -7.562 5.489 18 2HB ASP 3 2HB ASP 3 -7.346 -6.301 4.291 19 H THR 4 H THR 4 -5.201 -6.862 7.953 20 HA THR 4 HA THR 4 -4.264 -8.433 9.469 21 HB THR 4 HB THR 4 -5.594 -10.474 9.463 22 HG1 THR 4 HG1 THR 4 -6.569 -9.775 6.918 23 1HG2 THR 4 1HG2 THR 4 -6.684 -8.193 9.896 24 2HG2 THR 4 2HG2 THR 4 -7.361 -8.335 8.273 25 3HG2 THR 4 3HG2 THR 4 -7.772 -9.526 9.507 26 H ASP 5 H ASP 5 -2.129 -8.155 8.210 27 HA ASP 5 HA ASP 5 -1.380 -10.753 6.904 28 1HB ASP 5 1HB ASP 5 -0.770 -7.869 6.292 29 2HB ASP 5 2HB ASP 5 0.344 -9.132 5.767 30 H THR 6 H THR 6 0.478 -7.931 8.069 31 HA THR 6 HA THR 6 2.193 -7.797 9.693 32 HB THR 6 HB THR 6 1.244 -10.508 10.626 33 HG1 THR 6 HG1 THR 6 -0.023 -7.993 10.798 34 1HG2 THR 6 1HG2 THR 6 3.093 -8.658 11.590 35 2HG2 THR 6 2HG2 THR 6 1.659 -8.383 12.578 36 3HG2 THR 6 3HG2 THR 6 2.381 -9.990 12.502 37 H ALA 7 H ALA 7 1.901 -11.294 8.927 38 HA ALA 7 HA ALA 7 4.747 -11.720 8.802 39 1HB ALA 7 1HB ALA 7 3.170 -13.508 9.262 40 2HB ALA 7 2HB ALA 7 3.975 -13.882 7.739 41 3HB ALA 7 3HB ALA 7 2.339 -13.226 7.733 42 H GLU 8 H GLU 8 2.260 -11.279 6.272 43 HA GLU 8 HA GLU 8 3.914 -11.561 3.990 44 1HB GLU 8 1HB GLU 8 1.326 -11.217 4.381 45 2HB GLU 8 2HB GLU 8 1.721 -9.512 4.159 46 1HG GLU 8 1HG GLU 8 3.074 -10.545 2.067 47 2HG GLU 8 2HG GLU 8 1.784 -11.741 2.191 48 H GLN 9 H GLN 9 3.344 -8.759 6.097 49 HA GLN 9 HA GLN 9 4.641 -6.769 4.517 50 1HB GLN 9 1HB GLN 9 3.471 -7.105 7.095 51 2HB GLN 9 2HB GLN 9 5.055 -6.364 7.333 52 1HG GLN 9 1HG GLN 9 4.526 -4.513 5.957 53 2HG GLN 9 2HG GLN 9 3.146 -5.339 5.232 54 2HE2 GLN 9 2HE2 GLN 9 2.969 -2.744 6.554 55 1HE2 GLN 9 1HE2 GLN 9 1.969 -2.937 7.912 56 H VAL 10 H VAL 10 5.947 -8.867 7.117 57 HA VAL 10 HA VAL 10 8.618 -7.903 7.089 58 HB VAL 10 HB VAL 10 7.337 -10.581 7.684 59 1HG1 VAL 10 1HG1 VAL 10 10.220 -9.709 7.914 60 2HG1 VAL 10 2HG1 VAL 10 9.555 -10.986 8.932 61 3HG1 VAL 10 3HG1 VAL 10 9.580 -11.178 7.178 62 1HG2 VAL 10 1HG2 VAL 10 7.283 -8.184 9.035 63 2HG2 VAL 10 2HG2 VAL 10 7.069 -9.762 9.792 64 3HG2 VAL 10 3HG2 VAL 10 8.656 -8.992 9.789 65 H ILE 11 H ILE 11 7.059 -10.446 5.140 66 HA ILE 11 HA ILE 11 9.392 -11.338 3.745 67 HB ILE 11 HB ILE 11 6.433 -11.265 3.080 68 1HG1 ILE 11 1HG1 ILE 11 8.031 -13.712 3.762 69 2HG1 ILE 11 2HG1 ILE 11 7.550 -12.622 5.063 70 1HG2 ILE 11 1HG2 ILE 11 8.667 -11.873 1.379 71 2HG2 ILE 11 2HG2 ILE 11 7.775 -13.360 1.704 72 3HG2 ILE 11 3HG2 ILE 11 6.946 -11.969 1.006 73 1HD1 ILE 11 1HD1 ILE 11 5.584 -13.681 3.023 74 2HD1 ILE 11 2HD1 ILE 11 5.915 -14.511 4.543 75 3HD1 ILE 11 3HD1 ILE 11 5.229 -12.887 4.557 76 H ALA 12 H ALA 12 6.893 -8.923 2.867 77 HA ALA 12 HA ALA 12 7.987 -8.124 0.367 78 1HB ALA 12 1HB ALA 12 6.326 -6.836 2.532 79 2HB ALA 12 2HB ALA 12 6.809 -5.900 1.118 80 3HB ALA 12 3HB ALA 12 5.825 -7.350 0.921 81 H SER 13 H SER 13 8.695 -7.085 3.690 82 HA SER 13 HA SER 13 10.557 -4.995 2.997 83 1HB SER 13 1HB SER 13 10.497 -6.753 5.469 84 2HB SER 13 2HB SER 13 11.085 -5.097 5.355 85 HG SER 13 HG SER 13 9.022 -4.384 5.094 86 H PHE 14 H PHE 14 10.874 -8.472 3.704 87 HA PHE 14 HA PHE 14 13.761 -8.565 3.547 88 1HB PHE 14 1HB PHE 14 11.435 -10.439 3.554 89 2HB PHE 14 2HB PHE 14 12.972 -11.074 2.964 90 HD1 PHE 14 HD1 PHE 14 11.029 -10.748 5.824 91 HD2 PHE 14 HD2 PHE 14 15.072 -10.197 4.480 92 HE1 PHE 14 HE1 PHE 14 11.837 -10.977 8.158 93 HE2 PHE 14 HE2 PHE 14 15.879 -10.427 6.813 94 HZ PHE 14 HZ PHE 14 14.262 -10.817 8.652 95 H ARG 15 H ARG 15 11.147 -9.114 1.181 96 HA ARG 15 HA ARG 15 12.652 -10.021 -1.022 97 1HB ARG 15 1HB ARG 15 10.060 -9.205 -0.455 98 2HB ARG 15 2HB ARG 15 10.592 -8.021 -1.649 99 1HG ARG 15 1HG ARG 15 11.200 -9.781 -3.206 100 2HG ARG 15 2HG ARG 15 10.855 -11.020 -1.999 101 1HD ARG 15 1HD ARG 15 8.476 -9.690 -2.007 102 2HD ARG 15 2HD ARG 15 8.975 -9.482 -3.698 103 HE ARG 15 HE ARG 15 8.235 -12.002 -2.463 104 1HH1 ARG 15 1HH1 ARG 15 10.292 -10.455 -4.767 105 2HH1 ARG 15 2HH1 ARG 15 10.479 -11.872 -5.742 106 1HH2 ARG 15 1HH2 ARG 15 8.475 -13.855 -3.727 107 2HH2 ARG 15 2HH2 ARG 15 9.451 -13.794 -5.156 108 H ILE 16 H ILE 16 12.010 -6.671 0.041 109 HA ILE 16 HA ILE 16 13.376 -5.316 -2.060 110 HB ILE 16 HB ILE 16 12.862 -4.707 0.865 111 1HG1 ILE 16 1HG1 ILE 16 11.603 -3.402 -1.544 112 2HG1 ILE 16 2HG1 ILE 16 11.003 -4.954 -0.955 113 1HG2 ILE 16 1HG2 ILE 16 14.647 -3.376 -0.938 114 2HG2 ILE 16 2HG2 ILE 16 13.252 -2.331 -0.665 115 3HG2 ILE 16 3HG2 ILE 16 14.203 -2.909 0.703 116 1HD1 ILE 16 1HD1 ILE 16 10.750 -3.931 1.320 117 2HD1 ILE 16 2HD1 ILE 16 11.196 -2.373 0.623 118 3HD1 ILE 16 3HD1 ILE 16 9.719 -3.182 0.100 119 H LEU 17 H LEU 17 14.564 -6.525 1.089 120 HA LEU 17 HA LEU 17 17.260 -5.571 0.822 121 1HB LEU 17 1HB LEU 17 16.180 -8.006 2.283 122 2HB LEU 17 2HB LEU 17 17.671 -7.141 2.658 123 HG LEU 17 HG LEU 17 14.854 -6.050 2.857 124 1HD1 LEU 17 1HD1 LEU 17 16.461 -7.512 4.663 125 2HD1 LEU 17 2HD1 LEU 17 16.496 -5.837 5.218 126 3HD1 LEU 17 3HD1 LEU 17 14.953 -6.667 5.016 127 1HD2 LEU 17 1HD2 LEU 17 17.562 -4.740 3.198 128 2HD2 LEU 17 2HD2 LEU 17 16.266 -4.256 2.105 129 3HD2 LEU 17 3HD2 LEU 17 16.074 -4.047 3.845 130 H ALA 18 H ALA 18 15.707 -8.664 -0.032 131 HA ALA 18 HA ALA 18 18.208 -9.785 -1.095 132 1HB ALA 18 1HB ALA 18 15.721 -11.119 -1.818 133 2HB ALA 18 2HB ALA 18 17.033 -11.694 -0.792 134 3HB ALA 18 3HB ALA 18 15.750 -10.697 -0.107 135 H SER 19 H SER 19 16.537 -7.338 -2.270 136 HA SER 19 HA SER 19 16.188 -6.464 -4.438 137 1HB SER 19 1HB SER 19 18.528 -8.020 -4.366 138 2HB SER 19 2HB SER 19 17.698 -8.514 -5.839 139 HG SER 19 HG SER 19 19.139 -6.395 -5.537 140 H ASP 20 H ASP 20 13.929 -7.514 -3.997 141 HA ASP 20 HA ASP 20 12.113 -8.837 -4.758 142 1HB ASP 20 1HB ASP 20 12.826 -7.232 -6.622 143 2HB ASP 20 2HB ASP 20 13.640 -8.611 -7.361 144 H LYS 21 H LYS 21 13.813 -10.568 -3.529 145 HA LYS 21 HA LYS 21 13.892 -12.899 -5.407 146 1HB LYS 21 1HB LYS 21 15.979 -11.793 -3.531 147 2HB LYS 21 2HB LYS 21 16.015 -13.485 -4.025 148 1HG LYS 21 1HG LYS 21 15.628 -12.224 -6.429 149 2HG LYS 21 2HG LYS 21 16.646 -11.059 -5.580 150 1HD LYS 21 1HD LYS 21 17.881 -13.428 -4.955 151 2HD LYS 21 2HD LYS 21 17.313 -13.745 -6.594 152 1HE LYS 21 1HE LYS 21 18.581 -11.085 -6.135 153 2HE LYS 21 2HE LYS 21 19.656 -12.498 -6.123 154 1HZ LYS 21 1HZ LYS 21 18.274 -13.197 -8.172 155 2HZ LYS 21 2HZ LYS 21 17.868 -11.553 -8.269 156 3HZ LYS 21 3HZ LYS 21 19.495 -12.032 -8.366 157 HA PRO 22 HA PRO 22 11.585 -14.753 -2.165 158 1HB PRO 22 1HB PRO 22 12.114 -17.410 -2.790 159 2HB PRO 22 2HB PRO 22 10.861 -16.421 -3.565 160 1HG PRO 22 1HG PRO 22 13.578 -17.126 -4.525 161 2HG PRO 22 2HG PRO 22 12.072 -16.924 -5.434 162 1HD PRO 22 1HD PRO 22 14.024 -15.059 -5.421 163 2HD PRO 22 2HD PRO 22 12.303 -14.645 -5.573 164 H TYR 23 H TYR 23 14.937 -14.848 -2.489 165 HA TYR 23 HA TYR 23 15.211 -15.998 0.262 166 1HB TYR 23 1HB TYR 23 17.169 -17.272 -0.556 167 2HB TYR 23 2HB TYR 23 15.713 -17.719 -1.447 168 HD1 TYR 23 HD1 TYR 23 15.338 -16.893 -3.750 169 HD2 TYR 23 HD2 TYR 23 18.975 -16.066 -1.621 170 HE1 TYR 23 HE1 TYR 23 16.431 -16.229 -5.875 171 HE2 TYR 23 HE2 TYR 23 20.068 -15.402 -3.745 172 HH TYR 23 HH TYR 23 18.540 -15.922 -6.838 173 H ILE 24 H ILE 24 17.162 -15.237 1.361 174 HA ILE 24 HA ILE 24 18.477 -12.878 0.067 175 HB ILE 24 HB ILE 24 16.524 -12.531 1.805 176 1HG1 ILE 24 1HG1 ILE 24 17.971 -10.740 0.897 177 2HG1 ILE 24 2HG1 ILE 24 17.622 -10.480 2.606 178 1HG2 ILE 24 1HG2 ILE 24 17.865 -14.153 3.395 179 2HG2 ILE 24 2HG2 ILE 24 18.763 -12.688 3.793 180 3HG2 ILE 24 3HG2 ILE 24 17.021 -12.756 4.064 181 1HD1 ILE 24 1HD1 ILE 24 19.881 -12.005 2.769 182 2HD1 ILE 24 2HD1 ILE 24 20.189 -11.106 1.281 183 3HD1 ILE 24 3HD1 ILE 24 19.880 -10.241 2.787 184 H LEU 25 H LEU 25 20.701 -12.816 0.423 185 HA LEU 25 HA LEU 25 21.939 -15.170 1.657 186 1HB LEU 25 1HB LEU 25 23.093 -12.640 0.433 187 2HB LEU 25 2HB LEU 25 24.005 -14.100 0.803 188 HG LEU 25 HG LEU 25 23.557 -14.456 -1.442 189 1HD1 LEU 25 1HD1 LEU 25 22.529 -16.295 -0.059 190 2HD1 LEU 25 2HD1 LEU 25 20.974 -15.483 -0.235 191 3HD1 LEU 25 3HD1 LEU 25 21.808 -16.111 -1.658 192 1HD2 LEU 25 1HD2 LEU 25 21.746 -12.374 -1.087 193 2HD2 LEU 25 2HD2 LEU 25 22.093 -13.195 -2.609 194 3HD2 LEU 25 3HD2 LEU 25 20.735 -13.719 -1.613 195 H ALA 26 H ALA 26 23.006 -15.213 3.631 196 HA ALA 26 HA ALA 26 22.372 -13.417 5.713 197 1HB ALA 26 1HB ALA 26 25.008 -14.734 5.867 198 2HB ALA 26 2HB ALA 26 23.598 -14.925 6.909 199 3HB ALA 26 3HB ALA 26 23.694 -15.809 5.386 200 H GLU 27 H GLU 27 25.088 -13.379 3.427 201 HA GLU 27 HA GLU 27 26.681 -11.375 4.671 202 1HB GLU 27 1HB GLU 27 26.195 -12.206 1.797 203 2HB GLU 27 2HB GLU 27 27.484 -11.107 2.280 204 1HG GLU 27 1HG GLU 27 28.403 -12.834 3.784 205 2HG GLU 27 2HG GLU 27 27.114 -13.937 3.299 206 H GLU 28 H GLU 28 23.928 -11.140 2.428 207 HA GLU 28 HA GLU 28 24.053 -8.304 1.997 208 1HB GLU 28 1HB GLU 28 22.217 -10.582 1.574 209 2HB GLU 28 2HB GLU 28 21.412 -9.019 1.727 210 1HG GLU 28 1HG GLU 28 23.023 -8.110 0.013 211 2HG GLU 28 2HG GLU 28 23.602 -9.759 -0.231 212 H LEU 29 H LEU 29 22.354 -10.325 4.387 213 HA LEU 29 HA LEU 29 20.829 -8.291 5.666 214 1HB LEU 29 1HB LEU 29 22.168 -10.765 6.817 215 2HB LEU 29 2HB LEU 29 20.793 -9.917 7.523 216 HG LEU 29 HG LEU 29 20.851 -11.324 4.839 217 1HD1 LEU 29 1HD1 LEU 29 19.488 -11.894 7.481 218 2HD1 LEU 29 2HD1 LEU 29 19.026 -12.678 5.970 219 3HD1 LEU 29 3HD1 LEU 29 20.645 -12.915 6.628 220 1HD2 LEU 29 1HD2 LEU 29 18.877 -9.470 6.149 221 2HD2 LEU 29 2HD2 LEU 29 19.399 -9.526 4.465 222 3HD2 LEU 29 3HD2 LEU 29 18.296 -10.753 5.088 223 H ARG 30 H ARG 30 24.208 -9.279 6.018 224 HA ARG 30 HA ARG 30 24.793 -7.749 8.390 225 1HB ARG 30 1HB ARG 30 26.455 -8.808 6.082 226 2HB ARG 30 2HB ARG 30 27.147 -8.130 7.554 227 1HG ARG 30 1HG ARG 30 25.768 -9.837 8.847 228 2HG ARG 30 2HG ARG 30 25.426 -10.602 7.295 229 1HD ARG 30 1HD ARG 30 27.354 -11.771 7.737 230 2HD ARG 30 2HD ARG 30 28.150 -10.298 7.148 231 HE ARG 30 HE ARG 30 27.397 -10.187 9.976 232 1HH1 ARG 30 1HH1 ARG 30 29.776 -11.053 7.623 233 2HH1 ARG 30 2HH1 ARG 30 31.099 -10.941 8.733 234 1HH2 ARG 30 1HH2 ARG 30 29.117 -10.042 11.429 235 2HH2 ARG 30 2HH2 ARG 30 30.728 -10.372 10.884 236 H ARG 31 H ARG 31 24.857 -7.025 4.916 237 HA ARG 31 HA ARG 31 25.966 -4.317 5.439 238 1HB ARG 31 1HB ARG 31 26.260 -6.210 3.452 239 2HB ARG 31 2HB ARG 31 25.138 -5.065 2.717 240 1HG ARG 31 1HG ARG 31 27.265 -3.676 4.123 241 2HG ARG 31 2HG ARG 31 27.921 -4.781 2.914 242 1HD ARG 31 1HD ARG 31 26.256 -3.788 1.259 243 2HD ARG 31 2HD ARG 31 25.932 -2.534 2.473 244 HE ARG 31 HE ARG 31 28.393 -2.806 0.919 245 1HH1 ARG 31 1HH1 ARG 31 26.921 -1.736 3.856 246 2HH1 ARG 31 2HH1 ARG 31 28.144 -0.558 4.191 247 1HH2 ARG 31 1HH2 ARG 31 29.992 -1.269 1.346 248 2HH2 ARG 31 2HH2 ARG 31 29.879 -0.293 2.771 249 H GLU 32 H GLU 32 22.955 -5.895 4.452 250 HA GLU 32 HA GLU 32 21.635 -3.358 3.778 251 1HB GLU 32 1HB GLU 32 20.694 -6.223 4.117 252 2HB GLU 32 2HB GLU 32 19.680 -4.913 3.511 253 1HG GLU 32 1HG GLU 32 22.226 -4.988 2.115 254 2HG GLU 32 2HG GLU 32 21.388 -6.536 1.991 255 H LEU 33 H LEU 33 22.013 -5.387 6.605 256 HA LEU 33 HA LEU 33 20.134 -3.586 8.091 257 1HB LEU 33 1HB LEU 33 20.272 -6.505 7.734 258 2HB LEU 33 2HB LEU 33 20.109 -6.000 9.412 259 HG LEU 33 HG LEU 33 18.361 -4.748 7.317 260 1HD1 LEU 33 1HD1 LEU 33 18.391 -7.562 8.070 261 2HD1 LEU 33 2HD1 LEU 33 16.858 -6.796 8.486 262 3HD1 LEU 33 3HD1 LEU 33 17.445 -6.750 6.823 263 1HD2 LEU 33 1HD2 LEU 33 18.587 -4.828 10.216 264 2HD2 LEU 33 2HD2 LEU 33 17.640 -3.739 9.204 265 3HD2 LEU 33 3HD2 LEU 33 16.972 -5.298 9.689 266 HA PRO 34 HA PRO 34 23.457 -2.642 10.791 267 1HB PRO 34 1HB PRO 34 22.039 -3.196 13.214 268 2HB PRO 34 2HB PRO 34 22.312 -1.613 12.467 269 1HG PRO 34 1HG PRO 34 19.939 -3.347 12.379 270 2HG PRO 34 2HG PRO 34 20.071 -1.594 12.179 271 1HD PRO 34 1HD PRO 34 19.550 -3.240 10.115 272 2HD PRO 34 2HD PRO 34 20.494 -1.747 9.923 273 HA PRO 35 HA PRO 35 25.267 -6.446 11.939 274 1HB PRO 35 1HB PRO 35 26.344 -5.951 14.440 275 2HB PRO 35 2HB PRO 35 27.095 -5.448 12.913 276 1HG PRO 35 1HG PRO 35 25.467 -3.866 14.830 277 2HG PRO 35 2HG PRO 35 26.888 -3.386 13.890 278 1HD PRO 35 1HD PRO 35 24.387 -2.659 13.196 279 2HD PRO 35 2HD PRO 35 25.658 -2.967 11.992 280 H ASP 36 H ASP 36 23.324 -4.917 14.498 281 HA ASP 36 HA ASP 36 22.879 -7.276 16.070 282 1HB ASP 36 1HB ASP 36 20.923 -5.878 16.887 283 2HB ASP 36 2HB ASP 36 22.485 -5.060 16.940 284 H GLN 37 H GLN 37 20.917 -5.762 13.474 285 HA GLN 37 HA GLN 37 18.836 -7.760 13.540 286 1HB GLN 37 1HB GLN 37 19.481 -5.316 12.242 287 2HB GLN 37 2HB GLN 37 19.156 -6.498 10.973 288 1HG GLN 37 1HG GLN 37 17.047 -5.494 11.549 289 2HG GLN 37 2HG GLN 37 17.045 -7.119 12.232 290 2HE2 GLN 37 2HE2 GLN 37 18.399 -3.953 13.345 291 1HE2 GLN 37 1HE2 GLN 37 17.701 -4.038 14.890 292 H ALA 38 H ALA 38 21.783 -7.353 11.576 293 HA ALA 38 HA ALA 38 21.376 -9.473 9.732 294 1HB ALA 38 1HB ALA 38 24.075 -8.855 10.890 295 2HB ALA 38 2HB ALA 38 23.200 -7.573 10.052 296 3HB ALA 38 3HB ALA 38 23.610 -9.063 9.201 297 H GLN 39 H GLN 39 23.049 -9.513 12.904 298 HA GLN 39 HA GLN 39 23.706 -12.297 12.895 299 1HB GLN 39 1HB GLN 39 24.549 -10.393 14.373 300 2HB GLN 39 2HB GLN 39 23.048 -10.556 15.286 301 1HG GLN 39 1HG GLN 39 24.735 -11.883 16.401 302 2HG GLN 39 2HG GLN 39 23.606 -12.991 15.619 303 2HE2 GLN 39 2HE2 GLN 39 24.749 -14.688 14.685 304 1HE2 GLN 39 1HE2 GLN 39 26.229 -14.536 13.870 305 H TYR 40 H TYR 40 20.922 -10.562 14.333 306 HA TYR 40 HA TYR 40 19.610 -12.904 15.360 307 1HB TYR 40 1HB TYR 40 19.340 -10.250 15.652 308 2HB TYR 40 2HB TYR 40 18.079 -10.506 14.445 309 HD1 TYR 40 HD1 TYR 40 18.593 -10.286 17.851 310 HD2 TYR 40 HD2 TYR 40 16.699 -12.838 14.962 311 HE1 TYR 40 HE1 TYR 40 17.080 -11.156 19.612 312 HE2 TYR 40 HE2 TYR 40 15.186 -13.709 16.723 313 HH TYR 40 HH TYR 40 15.512 -13.839 19.526 314 H CYS 41 H CYS 41 19.140 -11.038 12.340 315 HA CYS 41 HA CYS 41 17.032 -12.668 11.279 316 1HB CYS 41 1HB CYS 41 19.148 -10.892 10.022 317 2HB CYS 41 2HB CYS 41 17.767 -11.543 9.138 318 HG CYS 41 HG CYS 41 16.664 -10.181 11.533 319 H ILE 42 H ILE 42 20.569 -12.727 10.733 320 HA ILE 42 HA ILE 42 20.536 -14.956 8.904 321 HB ILE 42 HB ILE 42 22.630 -13.732 10.722 322 1HG1 ILE 42 1HG1 ILE 42 22.093 -13.468 7.744 323 2HG1 ILE 42 2HG1 ILE 42 21.699 -12.255 8.963 324 1HG2 ILE 42 1HG2 ILE 42 22.842 -15.849 8.572 325 2HG2 ILE 42 2HG2 ILE 42 24.222 -14.867 9.063 326 3HG2 ILE 42 3HG2 ILE 42 23.431 -15.926 10.233 327 1HD1 ILE 42 1HD1 ILE 42 24.310 -12.645 9.545 328 2HD1 ILE 42 2HD1 ILE 42 24.337 -13.001 7.818 329 3HD1 ILE 42 3HD1 ILE 42 23.759 -11.435 8.388 330 H LYS 43 H LYS 43 20.077 -14.773 12.292 331 HA LYS 43 HA LYS 43 21.185 -17.418 12.930 332 1HB LYS 43 1HB LYS 43 21.126 -15.469 14.488 333 2HB LYS 43 2HB LYS 43 19.363 -15.551 14.481 334 1HG LYS 43 1HG LYS 43 19.305 -17.472 15.746 335 2HG LYS 43 2HG LYS 43 20.837 -18.065 15.106 336 1HD LYS 43 1HD LYS 43 21.793 -15.938 16.388 337 2HD LYS 43 2HD LYS 43 20.335 -16.159 17.354 338 1HE LYS 43 1HE LYS 43 22.117 -18.520 16.758 339 2HE LYS 43 2HE LYS 43 22.491 -17.424 18.103 340 1HZ LYS 43 1HZ LYS 43 19.758 -18.471 17.698 341 2HZ LYS 43 2HZ LYS 43 20.911 -19.368 18.566 342 3HZ LYS 43 3HZ LYS 43 20.450 -17.829 19.111 343 H ARG 44 H ARG 44 17.944 -16.000 12.447 344 HA ARG 44 HA ARG 44 16.618 -18.579 12.952 345 1HB ARG 44 1HB ARG 44 15.842 -15.756 12.276 346 2HB ARG 44 2HB ARG 44 14.647 -17.046 12.121 347 1HG ARG 44 1HG ARG 44 15.863 -17.540 14.586 348 2HG ARG 44 2HG ARG 44 15.688 -15.786 14.535 349 1HD ARG 44 1HD ARG 44 13.662 -16.898 15.488 350 2HD ARG 44 2HD ARG 44 13.285 -16.039 13.981 351 HE ARG 44 HE ARG 44 12.911 -18.131 12.950 352 1HH1 ARG 44 1HH1 ARG 44 14.743 -18.440 15.863 353 2HH1 ARG 44 2HH1 ARG 44 14.737 -20.172 15.835 354 1HH2 ARG 44 1HH2 ARG 44 12.898 -20.389 12.905 355 2HH2 ARG 44 2HH2 ARG 44 13.696 -21.274 14.162 356 H MET 45 H MET 45 16.579 -16.328 10.140 357 HA MET 45 HA MET 45 15.415 -17.614 8.116 358 1HB MET 45 1HB MET 45 17.350 -15.702 8.356 359 2HB MET 45 2HB MET 45 18.223 -16.952 7.468 360 1HG MET 45 1HG MET 45 16.719 -16.897 5.666 361 2HG MET 45 2HG MET 45 15.458 -16.135 6.630 362 1HE MET 45 1HE MET 45 15.446 -14.194 7.611 363 2HE MET 45 2HE MET 45 16.870 -13.192 7.866 364 3HE MET 45 3HE MET 45 15.679 -12.745 6.637 365 HA PRO 46 HA PRO 46 17.227 -21.747 8.569 366 1HB PRO 46 1HB PRO 46 15.536 -22.804 6.604 367 2HB PRO 46 2HB PRO 46 15.208 -22.802 8.347 368 1HG PRO 46 1HG PRO 46 14.195 -20.995 6.229 369 2HG PRO 46 2HG PRO 46 13.401 -21.573 7.701 370 1HD PRO 46 1HD PRO 46 14.369 -19.069 7.469 371 2HD PRO 46 2HD PRO 46 14.354 -19.946 9.015 372 H ALA 47 H ALA 47 17.360 -23.311 6.210 373 HA ALA 47 HA ALA 47 19.317 -21.715 4.632 374 1HB ALA 47 1HB ALA 47 19.630 -24.055 5.787 375 2HB ALA 47 2HB ALA 47 18.783 -24.664 4.365 376 3HB ALA 47 3HB ALA 47 20.306 -23.794 4.179 377 H TYR 48 H TYR 48 16.706 -20.976 4.023 378 HA TYR 48 HA TYR 48 15.155 -20.846 2.239 379 1HB TYR 48 1HB TYR 48 17.412 -20.213 1.280 380 2HB TYR 48 2HB TYR 48 17.566 -21.876 0.714 381 HD1 TYR 48 HD1 TYR 48 17.127 -22.077 -1.557 382 HD2 TYR 48 HD2 TYR 48 14.777 -19.357 0.786 383 HE1 TYR 48 HE1 TYR 48 15.774 -21.530 -3.556 384 HE2 TYR 48 HE2 TYR 48 13.416 -18.809 -1.213 385 HH TYR 48 HH TYR 48 13.942 -20.484 -4.305 386 H SER 49 H SER 49 14.315 -22.246 0.253 387 HA SER 49 HA SER 49 14.398 -25.146 1.013 388 1HB SER 49 1HB SER 49 11.913 -24.093 -0.161 389 2HB SER 49 2HB SER 49 12.133 -25.141 1.234 390 HG SER 49 HG SER 49 11.336 -22.901 1.592 391 H GLY 50 H GLY 50 13.278 -26.424 -0.930 392 1HA GLY 50 1HA GLY 50 14.255 -25.257 -3.506 393 2HA GLY 50 2HA GLY 50 12.925 -26.412 -3.390 394 HA PRO 51 HA PRO 51 15.906 -29.532 -4.091 395 1HB PRO 51 1HB PRO 51 17.225 -28.964 -6.469 396 2HB PRO 51 2HB PRO 51 15.608 -29.685 -6.361 397 1HG PRO 51 1HG PRO 51 16.396 -26.880 -6.907 398 2HG PRO 51 2HG PRO 51 15.041 -27.821 -7.548 399 1HD PRO 51 1HD PRO 51 14.741 -25.936 -5.631 400 2HD PRO 51 2HD PRO 51 13.700 -27.372 -5.743 401 H GLY 52 H GLY 52 18.050 -27.360 -5.848 402 1HA GLY 52 1HA GLY 52 20.484 -27.674 -5.141 403 2HA GLY 52 2HA GLY 52 19.905 -27.377 -3.500 404 H SER 53 H SER 53 19.033 -25.216 -3.046 405 HA SER 53 HA SER 53 18.935 -23.048 -4.783 406 1HB SER 53 1HB SER 53 19.891 -22.571 -2.024 407 2HB SER 53 2HB SER 53 18.477 -21.917 -2.848 408 HG SER 53 HG SER 53 18.710 -24.087 -1.229 409 H VAL 54 H VAL 54 20.675 -21.125 -3.549 410 HA VAL 54 HA VAL 54 23.110 -21.572 -5.089 411 HB VAL 54 HB VAL 54 23.634 -19.321 -4.300 412 1HG1 VAL 54 1HG1 VAL 54 21.834 -19.630 -6.022 413 2HG1 VAL 54 2HG1 VAL 54 20.641 -19.568 -4.724 414 3HG1 VAL 54 3HG1 VAL 54 21.644 -18.159 -5.069 415 1HG2 VAL 54 1HG2 VAL 54 21.900 -20.176 -2.092 416 2HG2 VAL 54 2HG2 VAL 54 23.145 -18.927 -2.120 417 3HG2 VAL 54 3HG2 VAL 54 21.515 -18.558 -2.681 418 HA PRO 55 HA PRO 55 25.565 -22.664 -1.567 419 1HB PRO 55 1HB PRO 55 27.580 -20.542 -2.030 420 2HB PRO 55 2HB PRO 55 27.732 -22.299 -2.222 421 1HG PRO 55 1HG PRO 55 27.610 -20.642 -4.321 422 2HG PRO 55 2HG PRO 55 26.922 -22.273 -4.358 423 1HD PRO 55 1HD PRO 55 25.543 -19.648 -4.101 424 2HD PRO 55 2HD PRO 55 25.022 -21.129 -4.933 425 H GLY 56 H GLY 56 23.621 -21.058 -0.460 426 1HA GLY 56 1HA GLY 56 25.022 -19.121 1.309 427 2HA GLY 56 2HA GLY 56 24.137 -20.451 2.056 428 H ALA 57 H ALA 57 21.863 -20.576 0.465 429 HA ALA 57 HA ALA 57 20.704 -17.825 0.459 430 1HB ALA 57 1HB ALA 57 18.815 -19.587 -0.526 431 2HB ALA 57 2HB ALA 57 19.996 -18.726 -1.512 432 3HB ALA 57 3HB ALA 57 20.329 -20.373 -0.974 433 H LEU 58 H LEU 58 19.478 -17.229 2.193 434 HA LEU 58 HA LEU 58 18.369 -19.377 3.965 435 1HB LEU 58 1HB LEU 58 18.977 -16.448 4.488 436 2HB LEU 58 2HB LEU 58 18.483 -17.631 5.695 437 HG LEU 58 HG LEU 58 20.833 -17.531 5.922 438 1HD1 LEU 58 1HD1 LEU 58 20.184 -19.809 4.029 439 2HD1 LEU 58 2HD1 LEU 58 21.655 -19.702 4.993 440 3HD1 LEU 58 3HD1 LEU 58 20.088 -19.846 5.789 441 1HD2 LEU 58 1HD2 LEU 58 20.785 -16.525 3.347 442 2HD2 LEU 58 2HD2 LEU 58 22.244 -16.886 4.269 443 3HD2 LEU 58 3HD2 LEU 58 21.598 -18.076 3.139 444 H ASP 59 H ASP 59 16.174 -19.074 4.758 445 HA ASP 59 HA ASP 59 14.494 -17.410 2.925 446 1HB ASP 59 1HB ASP 59 14.390 -20.075 3.992 447 2HB ASP 59 2HB ASP 59 12.973 -19.191 4.550 448 H TYR 60 H TYR 60 14.074 -15.441 3.886 449 HA TYR 60 HA TYR 60 14.016 -15.020 6.761 450 1HB TYR 60 1HB TYR 60 13.140 -12.773 5.971 451 2HB TYR 60 2HB TYR 60 14.644 -13.264 5.193 452 HD1 TYR 60 HD1 TYR 60 14.777 -13.461 2.851 453 HD2 TYR 60 HD2 TYR 60 10.931 -13.332 4.759 454 HE1 TYR 60 HE1 TYR 60 13.681 -13.333 0.631 455 HE2 TYR 60 HE2 TYR 60 9.834 -13.202 2.538 456 HH TYR 60 HH TYR 60 11.748 -13.324 -0.466 457 H ALA 61 H ALA 61 11.743 -16.121 4.396 458 HA ALA 61 HA ALA 61 9.261 -15.268 5.450 459 1HB ALA 61 1HB ALA 61 10.131 -16.835 3.408 460 2HB ALA 61 2HB ALA 61 9.528 -18.078 4.506 461 3HB ALA 61 3HB ALA 61 8.449 -16.803 3.937 462 H ALA 62 H ALA 62 11.437 -17.882 6.454 463 HA ALA 62 HA ALA 62 9.718 -19.189 8.315 464 1HB ALA 62 1HB ALA 62 12.459 -19.081 9.207 465 2HB ALA 62 2HB ALA 62 12.421 -19.231 7.450 466 3HB ALA 62 3HB ALA 62 11.606 -20.429 8.455 467 H PHE 63 H PHE 63 11.660 -16.292 8.524 468 HA PHE 63 HA PHE 63 11.590 -15.861 11.351 469 1HB PHE 63 1HB PHE 63 12.792 -14.728 9.226 470 2HB PHE 63 2HB PHE 63 11.473 -13.575 9.432 471 HD1 PHE 63 HD1 PHE 63 11.773 -11.806 10.928 472 HD2 PHE 63 HD2 PHE 63 14.005 -15.430 11.481 473 HE1 PHE 63 HE1 PHE 63 12.985 -10.768 12.827 474 HE2 PHE 63 HE2 PHE 63 15.219 -14.394 13.381 475 HZ PHE 63 HZ PHE 63 14.708 -12.066 14.053 476 H SER 64 H SER 64 9.461 -14.607 8.752 477 HA SER 64 HA SER 64 7.678 -13.168 10.467 478 1HB SER 64 1HB SER 64 6.193 -13.347 8.432 479 2HB SER 64 2HB SER 64 7.825 -12.787 8.077 480 HG SER 64 HG SER 64 6.956 -14.525 6.709 481 H SER 65 H SER 65 7.471 -16.473 9.105 482 HA SER 65 HA SER 65 4.941 -17.128 10.305 483 1HB SER 65 1HB SER 65 7.276 -18.846 9.407 484 2HB SER 65 2HB SER 65 5.641 -19.433 9.695 485 HG SER 65 HG SER 65 6.409 -18.702 7.452 486 H ALA 66 H ALA 66 8.311 -17.586 11.369 487 HA ALA 66 HA ALA 66 7.665 -19.119 13.731 488 1HB ALA 66 1HB ALA 66 10.002 -18.782 14.225 489 2HB ALA 66 2HB ALA 66 10.066 -17.345 13.206 490 3HB ALA 66 3HB ALA 66 9.867 -18.937 12.474 491 H LEU 67 H LEU 67 8.332 -15.646 13.184 492 HA LEU 67 HA LEU 67 8.013 -14.916 15.974 493 1HB LEU 67 1HB LEU 67 8.144 -13.503 13.311 494 2HB LEU 67 2HB LEU 67 7.843 -12.603 14.796 495 HG LEU 67 HG LEU 67 10.148 -14.530 14.622 496 1HD1 LEU 67 1HD1 LEU 67 9.924 -12.478 12.831 497 2HD1 LEU 67 2HD1 LEU 67 10.723 -11.664 14.176 498 3HD1 LEU 67 3HD1 LEU 67 11.462 -13.087 13.442 499 1HD2 LEU 67 1HD2 LEU 67 9.280 -13.453 16.791 500 2HD2 LEU 67 2HD2 LEU 67 11.000 -13.262 16.451 501 3HD2 LEU 67 3HD2 LEU 67 9.887 -11.930 16.144 502 H TYR 68 H TYR 68 5.902 -14.681 13.091 503 HA TYR 68 HA TYR 68 3.638 -13.843 14.836 504 1HB TYR 68 1HB TYR 68 4.299 -13.812 11.899 505 2HB TYR 68 2HB TYR 68 2.627 -13.626 12.425 506 HD1 TYR 68 HD1 TYR 68 5.149 -11.719 11.300 507 HD2 TYR 68 HD2 TYR 68 2.752 -12.079 14.845 508 HE1 TYR 68 HE1 TYR 68 5.583 -9.336 11.834 509 HE2 TYR 68 HE2 TYR 68 3.185 -9.696 15.380 510 HH TYR 68 HH TYR 68 3.807 -7.598 14.046 511 H GLY 69 H GLY 69 4.904 -16.701 14.299 512 1HA GLY 69 1HA GLY 69 3.977 -18.865 14.428 513 2HA GLY 69 2HA GLY 69 3.171 -18.384 12.934 514 H GLU 70 H GLU 70 0.972 -18.345 13.012 515 HA GLU 70 HA GLU 70 -0.337 -18.091 15.701 516 1HB GLU 70 1HB GLU 70 -2.117 -16.932 14.530 517 2HB GLU 70 2HB GLU 70 -0.588 -16.202 14.041 518 1HG GLU 70 1HG GLU 70 -0.696 -18.032 12.130 519 2HG GLU 70 2HG GLU 70 -2.424 -17.981 12.478 520 H SER 71 H SER 71 0.071 -20.023 12.865 521 HA SER 71 HA SER 71 -1.331 -22.277 13.936 522 1HB SER 71 1HB SER 71 -2.981 -20.234 12.958 523 2HB SER 71 2HB SER 71 -2.968 -21.441 11.676 524 HG SER 71 HG SER 71 -3.483 -23.000 13.305 525 H ASP 72 H ASP 72 0.184 -23.664 13.038 526 HA ASP 72 HA ASP 72 1.299 -23.312 10.380 527 1HB ASP 72 1HB ASP 72 1.611 -24.965 12.739 528 2HB ASP 72 2HB ASP 72 1.659 -25.961 11.284 529 H LEU 73 H LEU 73 0.593 -24.217 8.460 530 HA LEU 73 HA LEU 73 -1.160 -26.536 8.345 531 1HB LEU 73 1HB LEU 73 -2.540 -24.490 9.163 532 2HB LEU 73 2HB LEU 73 -2.396 -23.914 7.501 533 HG LEU 73 HG LEU 73 -3.127 -26.684 7.437 534 1HD1 LEU 73 1HD1 LEU 73 -3.981 -26.244 9.744 535 2HD1 LEU 73 2HD1 LEU 73 -4.982 -24.946 9.092 536 3HD1 LEU 73 3HD1 LEU 73 -5.271 -26.614 8.600 537 1HD2 LEU 73 1HD2 LEU 73 -3.550 -24.847 5.749 538 2HD2 LEU 73 2HD2 LEU 73 -4.962 -25.838 6.112 539 3HD2 LEU 73 3HD2 LEU 73 -4.804 -24.232 6.826 540 H GLY 7 H GLY 7 15.283 2.471 -3.913 541 1HA GLY 7 1HA GLY 7 12.969 2.864 -4.171 542 2HA GLY 7 2HA GLY 7 13.297 4.594 -4.057 543 H LYS 8 H LYS 8 12.239 1.794 -2.351 544 HA LYS 8 HA LYS 8 11.968 3.445 0.139 545 1HB LYS 8 1HB LYS 8 9.899 2.254 0.480 546 2HB LYS 8 2HB LYS 8 9.922 2.755 -1.211 547 1HG LYS 8 1HG LYS 8 10.943 0.467 -1.729 548 2HG LYS 8 2HG LYS 8 10.505 0.011 -0.081 549 1HD LYS 8 1HD LYS 8 8.423 1.269 -1.835 550 2HD LYS 8 2HD LYS 8 8.823 -0.433 -2.072 551 1HE LYS 8 1HE LYS 8 8.527 -0.631 0.516 552 2HE LYS 8 2HE LYS 8 7.638 0.898 0.361 553 1HZ LYS 8 1HZ LYS 8 6.520 -0.278 -1.620 554 2HZ LYS 8 2HZ LYS 8 7.061 -1.711 -0.892 555 3HZ LYS 8 3HZ LYS 8 6.008 -0.678 -0.050 556 H LYS 9 H LYS 9 14.326 1.810 -0.492 557 HA LYS 9 HA LYS 9 14.231 -0.760 0.781 558 1HB LYS 9 1HB LYS 9 15.992 0.643 -0.724 559 2HB LYS 9 2HB LYS 9 16.717 0.873 0.868 560 1HG LYS 9 1HG LYS 9 16.360 -1.703 1.127 561 2HG LYS 9 2HG LYS 9 16.236 -1.690 -0.633 562 1HD LYS 9 1HD LYS 9 18.521 -1.990 -0.394 563 2HD LYS 9 2HD LYS 9 18.444 -0.228 -0.440 564 1HE LYS 9 1HE LYS 9 18.478 -0.125 2.010 565 2HE LYS 9 2HE LYS 9 18.472 -1.898 2.101 566 1HZ LYS 9 1HZ LYS 9 20.498 -1.915 0.749 567 2HZ LYS 9 2HZ LYS 9 20.527 -0.216 0.765 568 3HZ LYS 9 3HZ LYS 9 20.734 -1.085 2.210 569 H ALA 10 H ALA 10 15.204 2.459 2.013 570 HA ALA 10 HA ALA 10 15.978 1.718 4.627 571 1HB ALA 10 1HB ALA 10 15.898 4.017 5.003 572 2HB ALA 10 2HB ALA 10 14.391 4.211 4.108 573 3HB ALA 10 3HB ALA 10 15.909 3.982 3.240 574 H GLU 11 H GLU 11 12.729 2.481 3.357 575 HA GLU 11 HA GLU 11 11.302 2.341 5.823 576 1HB GLU 11 1HB GLU 11 10.543 1.697 2.955 577 2HB GLU 11 2HB GLU 11 9.375 1.893 4.263 578 1HG GLU 11 1HG GLU 11 9.997 4.185 4.594 579 2HG GLU 11 2HG GLU 11 11.403 4.020 3.542 580 H ALA 12 H ALA 12 12.132 -0.190 3.446 581 HA ALA 12 HA ALA 12 10.690 -2.335 4.670 582 1HB ALA 12 1HB ALA 12 13.324 -2.719 3.282 583 2HB ALA 12 2HB ALA 12 11.986 -2.007 2.380 584 3HB ALA 12 3HB ALA 12 11.819 -3.617 3.081 585 H VAL 13 H VAL 13 13.950 -1.037 5.234 586 HA VAL 13 HA VAL 13 14.872 -3.117 6.990 587 HB VAL 13 HB VAL 13 15.561 -0.162 6.839 588 1HG1 VAL 13 1HG1 VAL 13 16.472 -2.262 8.561 589 2HG1 VAL 13 2HG1 VAL 13 17.784 -1.841 7.458 590 3HG1 VAL 13 3HG1 VAL 13 17.048 -0.597 8.469 591 1HG2 VAL 13 1HG2 VAL 13 16.303 -2.562 5.203 592 2HG2 VAL 13 2HG2 VAL 13 15.996 -0.907 4.681 593 3HG2 VAL 13 3HG2 VAL 13 17.521 -1.314 5.469 594 H ALA 14 H ALA 14 13.307 0.034 7.630 595 HA ALA 14 HA ALA 14 13.337 -0.051 10.464 596 1HB ALA 14 1HB ALA 14 12.729 1.964 9.384 597 2HB ALA 14 2HB ALA 14 11.543 1.156 8.359 598 3HB ALA 14 3HB ALA 14 11.207 1.398 10.073 599 H THR 15 H THR 15 11.002 -1.418 8.144 600 HA THR 15 HA THR 15 9.120 -2.341 10.133 601 HB THR 15 HB THR 15 9.731 -3.028 7.248 602 HG1 THR 15 HG1 THR 15 8.828 -1.016 7.570 603 1HG2 THR 15 1HG2 THR 15 7.654 -4.147 9.123 604 2HG2 THR 15 2HG2 THR 15 7.362 -4.068 7.385 605 3HG2 THR 15 3HG2 THR 15 8.713 -5.012 8.011 606 H VAL 16 H VAL 16 11.848 -3.882 8.428 607 HA VAL 16 HA VAL 16 11.459 -6.520 9.508 608 HB VAL 16 HB VAL 16 13.889 -5.037 8.457 609 1HG1 VAL 16 1HG1 VAL 16 13.630 -7.646 9.681 610 2HG1 VAL 16 2HG1 VAL 16 14.107 -7.809 7.990 611 3HG1 VAL 16 3HG1 VAL 16 15.082 -6.837 9.092 612 1HG2 VAL 16 1HG2 VAL 16 11.530 -5.945 7.196 613 2HG2 VAL 16 2HG2 VAL 16 13.013 -5.403 6.410 614 3HG2 VAL 16 3HG2 VAL 16 12.780 -7.114 6.772 615 H VAL 17 H VAL 17 13.561 -3.804 10.520 616 HA VAL 17 HA VAL 17 14.789 -5.125 12.739 617 HB VAL 17 HB VAL 17 14.114 -2.197 12.295 618 1HG1 VAL 17 1HG1 VAL 17 15.626 -3.661 14.348 619 2HG1 VAL 17 2HG1 VAL 17 16.545 -2.359 13.591 620 3HG1 VAL 17 3HG1 VAL 17 15.004 -2.011 14.374 621 1HG2 VAL 17 1HG2 VAL 17 15.454 -3.633 10.522 622 2HG2 VAL 17 2HG2 VAL 17 16.023 -2.026 10.973 623 3HG2 VAL 17 3HG2 VAL 17 16.767 -3.458 11.684 624 H ALA 18 H ALA 18 11.872 -3.069 12.546 625 HA ALA 18 HA ALA 18 11.220 -3.000 15.305 626 1HB ALA 18 1HB ALA 18 9.802 -2.759 12.683 627 2HB ALA 18 2HB ALA 18 9.971 -1.571 13.976 628 3HB ALA 18 3HB ALA 18 8.814 -2.892 14.139 629 H ALA 19 H ALA 19 10.441 -5.423 12.811 630 HA ALA 19 HA ALA 19 8.705 -7.036 14.445 631 1HB ALA 19 1HB ALA 19 8.775 -7.130 12.002 632 2HB ALA 19 2HB ALA 19 10.460 -7.649 12.044 633 3HB ALA 19 3HB ALA 19 9.193 -8.716 12.650 634 H VAL 20 H VAL 20 12.209 -7.154 13.792 635 HA VAL 20 HA VAL 20 12.740 -9.579 15.238 636 HB VAL 20 HB VAL 20 14.444 -7.146 14.609 637 1HG1 VAL 20 1HG1 VAL 20 15.413 -8.585 16.386 638 2HG1 VAL 20 2HG1 VAL 20 15.265 -9.981 15.316 639 3HG1 VAL 20 3HG1 VAL 20 16.355 -8.660 14.895 640 1HG2 VAL 20 1HG2 VAL 20 13.228 -8.630 12.775 641 2HG2 VAL 20 2HG2 VAL 20 14.905 -8.128 12.552 642 3HG2 VAL 20 3HG2 VAL 20 14.540 -9.754 13.130 643 H ASP 21 H ASP 21 12.791 -6.143 16.206 644 HA ASP 21 HA ASP 21 13.823 -6.497 18.842 645 1HB ASP 21 1HB ASP 21 13.475 -4.380 17.456 646 2HB ASP 21 2HB ASP 21 11.776 -4.461 17.924 647 H GLN 22 H GLN 22 10.559 -6.861 17.528 648 HA GLN 22 HA GLN 22 9.116 -6.902 20.001 649 1HB GLN 22 1HB GLN 22 8.620 -7.102 17.272 650 2HB GLN 22 2HB GLN 22 8.142 -8.685 17.887 651 1HG GLN 22 1HG GLN 22 7.220 -6.618 19.680 652 2HG GLN 22 2HG GLN 22 6.665 -6.283 18.039 653 2HE2 GLN 22 2HE2 GLN 22 7.218 -9.458 19.645 654 1HE2 GLN 22 1HE2 GLN 22 5.626 -10.008 19.439 655 H ALA 23 H ALA 23 10.742 -9.477 18.150 656 HA ALA 23 HA ALA 23 9.854 -11.679 19.764 657 1HB ALA 23 1HB ALA 23 11.159 -12.850 18.291 658 2HB ALA 23 2HB ALA 23 11.219 -11.311 17.434 659 3HB ALA 23 3HB ALA 23 12.538 -11.773 18.509 660 H ARG 24 H ARG 24 12.690 -9.533 19.977 661 HA ARG 24 HA ARG 24 14.139 -10.907 21.996 662 1HB ARG 24 1HB ARG 24 14.224 -8.495 20.554 663 2HB ARG 24 2HB ARG 24 14.215 -8.012 22.251 664 1HG ARG 24 1HG ARG 24 16.084 -10.092 21.081 665 2HG ARG 24 2HG ARG 24 16.521 -8.406 21.358 666 1HD ARG 24 1HD ARG 24 15.952 -8.707 23.788 667 2HD ARG 24 2HD ARG 24 15.698 -10.433 23.466 668 HE ARG 24 HE ARG 24 18.040 -10.687 23.184 669 1HH1 ARG 24 1HH1 ARG 24 17.071 -7.369 23.173 670 2HH1 ARG 24 2HH1 ARG 24 18.692 -6.763 23.199 671 1HH2 ARG 24 1HH2 ARG 24 20.156 -9.906 23.213 672 2HH2 ARG 24 2HH2 ARG 24 20.436 -8.197 23.219 673 H VAL 25 H VAL 25 11.481 -8.545 22.269 674 HA VAL 25 HA VAL 25 11.551 -8.227 25.106 675 HB VAL 25 HB VAL 25 9.235 -8.117 23.150 676 1HG1 VAL 25 1HG1 VAL 25 9.003 -8.050 25.829 677 2HG1 VAL 25 2HG1 VAL 25 9.422 -6.360 25.549 678 3HG1 VAL 25 3HG1 VAL 25 7.999 -7.057 24.773 679 1HG2 VAL 25 1HG2 VAL 25 11.621 -6.568 23.332 680 2HG2 VAL 25 2HG2 VAL 25 10.221 -6.278 22.300 681 3HG2 VAL 25 3HG2 VAL 25 10.295 -5.559 23.909 682 H ARG 26 H ARG 26 10.422 -10.826 23.110 683 HA ARG 26 HA ARG 26 9.230 -12.139 25.531 684 1HB ARG 26 1HB ARG 26 8.183 -11.533 22.923 685 2HB ARG 26 2HB ARG 26 8.248 -13.286 23.117 686 1HG ARG 26 1HG ARG 26 7.313 -12.174 25.575 687 2HG ARG 26 2HG ARG 26 6.376 -11.452 24.266 688 1HD ARG 26 1HD ARG 26 6.444 -14.074 23.470 689 2HD ARG 26 2HD ARG 26 6.390 -14.243 25.236 690 HE ARG 26 HE ARG 26 4.208 -13.345 25.187 691 1HH1 ARG 26 1HH1 ARG 26 5.972 -12.567 22.322 692 2HH1 ARG 26 2HH1 ARG 26 4.624 -11.812 21.542 693 1HH2 ARG 26 1HH2 ARG 26 2.445 -12.362 24.180 694 2HH2 ARG 26 2HH2 ARG 26 2.630 -11.694 22.593 695 H GLU 27 H GLU 27 12.046 -12.237 24.506 696 HA GLU 27 HA GLU 27 12.405 -14.836 23.225 697 1HB GLU 27 1HB GLU 27 13.951 -12.957 22.914 698 2HB GLU 27 2HB GLU 27 14.286 -12.923 24.647 699 1HG GLU 27 1HG GLU 27 15.401 -15.014 24.586 700 2HG GLU 27 2HG GLU 27 14.746 -15.407 22.996 701 HA PRO 28 HA PRO 28 11.732 -16.785 27.247 702 1HB PRO 28 1HB PRO 28 11.993 -19.351 26.299 703 2HB PRO 28 2HB PRO 28 10.477 -18.431 26.233 704 1HG PRO 28 1HG PRO 28 12.465 -18.956 24.095 705 2HG PRO 28 2HG PRO 28 10.702 -18.843 23.998 706 1HD PRO 28 1HD PRO 28 12.393 -16.852 23.213 707 2HD PRO 28 2HD PRO 28 10.730 -16.574 23.772 708 H ARG 29 H ARG 29 13.377 -17.189 28.695 709 HA ARG 29 HA ARG 29 15.973 -18.244 27.627 710 1HB ARG 29 1HB ARG 29 15.780 -15.700 28.046 711 2HB ARG 29 2HB ARG 29 15.726 -16.116 29.761 712 1HG ARG 29 1HG ARG 29 17.854 -17.612 28.963 713 2HG ARG 29 2HG ARG 29 17.994 -16.245 27.857 714 1HD ARG 29 1HD ARG 29 18.168 -14.677 29.650 715 2HD ARG 29 2HD ARG 29 17.614 -15.868 30.841 716 HE ARG 29 HE ARG 29 20.318 -15.681 29.758 717 1HH1 ARG 29 1HH1 ARG 29 17.862 -17.730 31.063 718 2HH1 ARG 29 2HH1 ARG 29 18.981 -18.913 31.650 719 1HH2 ARG 29 1HH2 ARG 29 21.784 -17.218 30.519 720 2HH2 ARG 29 2HH2 ARG 29 21.199 -18.625 31.341 No H/Q in entry = 720 Start of MODEL 27 1 H MET 1 H MET 1 8.585 -17.164 0.183 2 HA MET 1 HA MET 1 6.022 -15.872 0.221 3 1HB MET 1 1HB MET 1 6.856 -17.371 -1.554 4 2HB MET 1 2HB MET 1 6.851 -18.722 -0.420 5 1HG MET 1 1HG MET 1 4.351 -18.183 -0.073 6 2HG MET 1 2HG MET 1 4.489 -17.216 -1.541 7 1HE MET 1 1HE MET 1 3.122 -18.036 -2.886 8 2HE MET 1 2HE MET 1 4.306 -18.514 -4.110 9 3HE MET 1 3HE MET 1 3.015 -19.621 -3.650 10 H ALA 2 H ALA 2 4.951 -15.670 2.181 11 HA ALA 2 HA ALA 2 4.541 -18.182 3.770 12 1HB ALA 2 1HB ALA 2 6.189 -16.405 4.659 13 2HB ALA 2 2HB ALA 2 4.922 -16.936 5.764 14 3HB ALA 2 3HB ALA 2 4.767 -15.394 4.921 15 H ASP 3 H ASP 3 2.905 -16.430 5.634 16 HA ASP 3 HA ASP 3 0.375 -16.611 4.106 17 1HB ASP 3 1HB ASP 3 1.218 -16.255 6.979 18 2HB ASP 3 2HB ASP 3 -0.457 -15.980 6.501 19 H THR 4 H THR 4 -1.137 -14.627 5.286 20 HA THR 4 HA THR 4 0.061 -12.165 4.105 21 HB THR 4 HB THR 4 -2.124 -12.966 3.294 22 HG1 THR 4 HG1 THR 4 -2.622 -10.950 3.162 23 1HG2 THR 4 1HG2 THR 4 -2.732 -12.925 6.234 24 2HG2 THR 4 2HG2 THR 4 -4.036 -12.695 5.068 25 3HG2 THR 4 3HG2 THR 4 -3.082 -14.179 5.044 26 H ASP 5 H ASP 5 -1.977 -10.594 5.690 27 HA ASP 5 HA ASP 5 -2.109 -9.453 7.762 28 1HB ASP 5 1HB ASP 5 -1.761 -12.152 8.287 29 2HB ASP 5 2HB ASP 5 -0.464 -11.402 9.218 30 H THR 6 H THR 6 -0.285 -9.032 9.748 31 HA THR 6 HA THR 6 1.602 -7.238 8.726 32 HB THR 6 HB THR 6 2.240 -8.879 11.151 33 HG1 THR 6 HG1 THR 6 0.539 -7.702 12.217 34 1HG2 THR 6 1HG2 THR 6 2.144 -5.930 10.479 35 2HG2 THR 6 2HG2 THR 6 2.503 -6.554 12.090 36 3HG2 THR 6 3HG2 THR 6 3.581 -6.918 10.742 37 H ALA 7 H ALA 7 1.782 -10.729 8.873 38 HA ALA 7 HA ALA 7 4.611 -11.091 8.697 39 1HB ALA 7 1HB ALA 7 2.606 -12.732 9.057 40 2HB ALA 7 2HB ALA 7 4.016 -13.314 8.171 41 3HB ALA 7 3HB ALA 7 2.569 -12.812 7.296 42 H GLU 8 H GLU 8 2.116 -10.746 6.165 43 HA GLU 8 HA GLU 8 3.756 -11.035 3.877 44 1HB GLU 8 1HB GLU 8 1.160 -10.670 4.318 45 2HB GLU 8 2HB GLU 8 1.570 -8.983 4.006 46 1HG GLU 8 1HG GLU 8 2.682 -10.970 2.100 47 2HG GLU 8 2HG GLU 8 0.936 -10.726 2.037 48 H GLN 9 H GLN 9 3.171 -8.226 5.967 49 HA GLN 9 HA GLN 9 4.461 -6.238 4.372 50 1HB GLN 9 1HB GLN 9 3.017 -6.230 6.604 51 2HB GLN 9 2HB GLN 9 4.608 -6.247 7.367 52 1HG GLN 9 1HG GLN 9 5.152 -4.311 5.693 53 2HG GLN 9 2HG GLN 9 3.398 -4.155 5.577 54 2HE2 GLN 9 2HE2 GLN 9 5.311 -2.235 6.848 55 1HE2 GLN 9 1HE2 GLN 9 4.817 -2.095 8.465 56 H VAL 10 H VAL 10 5.750 -8.278 7.025 57 HA VAL 10 HA VAL 10 8.427 -7.314 6.968 58 HB VAL 10 HB VAL 10 7.370 -10.100 7.558 59 1HG1 VAL 10 1HG1 VAL 10 9.938 -9.540 7.376 60 2HG1 VAL 10 2HG1 VAL 10 9.681 -8.770 8.942 61 3HG1 VAL 10 3HG1 VAL 10 9.344 -10.490 8.739 62 1HG2 VAL 10 1HG2 VAL 10 7.220 -7.498 9.006 63 2HG2 VAL 10 2HG2 VAL 10 6.102 -8.861 9.027 64 3HG2 VAL 10 3HG2 VAL 10 7.588 -8.926 9.973 65 H ILE 11 H ILE 11 6.928 -10.063 5.238 66 HA ILE 11 HA ILE 11 9.223 -10.986 3.854 67 HB ILE 11 HB ILE 11 6.312 -10.877 2.990 68 1HG1 ILE 11 1HG1 ILE 11 7.873 -12.920 4.602 69 2HG1 ILE 11 2HG1 ILE 11 6.568 -11.895 5.201 70 1HG2 ILE 11 1HG2 ILE 11 8.689 -11.916 1.728 71 2HG2 ILE 11 2HG2 ILE 11 7.608 -13.246 2.143 72 3HG2 ILE 11 3HG2 ILE 11 7.030 -11.923 1.130 73 1HD1 ILE 11 1HD1 ILE 11 5.633 -13.244 2.860 74 2HD1 ILE 11 2HD1 ILE 11 6.357 -14.443 3.931 75 3HD1 ILE 11 3HD1 ILE 11 5.054 -13.410 4.518 76 H ALA 12 H ALA 12 6.757 -8.587 2.836 77 HA ALA 12 HA ALA 12 7.901 -7.906 0.321 78 1HB ALA 12 1HB ALA 12 5.652 -7.268 1.442 79 2HB ALA 12 2HB ALA 12 6.438 -6.028 0.466 80 3HB ALA 12 3HB ALA 12 6.558 -5.972 2.224 81 H SER 13 H SER 13 8.474 -6.592 3.588 82 HA SER 13 HA SER 13 10.391 -4.595 2.835 83 1HB SER 13 1HB SER 13 10.668 -4.404 5.157 84 2HB SER 13 2HB SER 13 9.080 -5.161 5.064 85 HG SER 13 HG SER 13 10.162 -6.455 6.419 86 H PHE 14 H PHE 14 10.659 -8.036 3.695 87 HA PHE 14 HA PHE 14 13.548 -8.154 3.634 88 1HB PHE 14 1HB PHE 14 11.207 -9.974 3.737 89 2HB PHE 14 2HB PHE 14 12.682 -10.681 3.075 90 HD1 PHE 14 HD1 PHE 14 10.963 -10.595 5.973 91 HD2 PHE 14 HD2 PHE 14 14.853 -9.501 4.516 92 HE1 PHE 14 HE1 PHE 14 11.884 -10.822 8.264 93 HE2 PHE 14 HE2 PHE 14 15.774 -9.728 6.808 94 HZ PHE 14 HZ PHE 14 14.289 -10.389 8.682 95 H ARG 15 H ARG 15 11.000 -8.783 1.215 96 HA ARG 15 HA ARG 15 12.590 -9.780 -0.894 97 1HB ARG 15 1HB ARG 15 9.966 -9.050 -0.459 98 2HB ARG 15 2HB ARG 15 10.490 -7.861 -1.653 99 1HG ARG 15 1HG ARG 15 9.771 -9.641 -2.999 100 2HG ARG 15 2HG ARG 15 11.509 -9.920 -2.896 101 1HD ARG 15 1HD ARG 15 9.870 -11.163 -0.744 102 2HD ARG 15 2HD ARG 15 9.701 -11.859 -2.362 103 HE ARG 15 HE ARG 15 12.113 -12.248 -2.413 104 1HH1 ARG 15 1HH1 ARG 15 10.873 -11.095 0.632 105 2HH1 ARG 15 2HH1 ARG 15 12.257 -11.626 1.516 106 1HH2 ARG 15 1HH2 ARG 15 13.905 -12.901 -1.241 107 2HH2 ARG 15 2HH2 ARG 15 13.960 -12.636 0.470 108 H ILE 16 H ILE 16 11.912 -6.397 0.021 109 HA ILE 16 HA ILE 16 13.283 -5.124 -2.123 110 HB ILE 16 HB ILE 16 12.832 -4.439 0.798 111 1HG1 ILE 16 1HG1 ILE 16 11.545 -3.496 -1.786 112 2HG1 ILE 16 2HG1 ILE 16 10.825 -4.610 -0.623 113 1HG2 ILE 16 1HG2 ILE 16 14.254 -2.940 -1.373 114 2HG2 ILE 16 2HG2 ILE 16 13.262 -2.035 -0.228 115 3HG2 ILE 16 3HG2 ILE 16 14.608 -3.014 0.353 116 1HD1 ILE 16 1HD1 ILE 16 11.790 -2.055 0.518 117 2HD1 ILE 16 2HD1 ILE 16 10.418 -1.915 -0.581 118 3HD1 ILE 16 3HD1 ILE 16 10.304 -2.944 0.846 119 H LEU 17 H LEU 17 14.459 -6.257 1.050 120 HA LEU 17 HA LEU 17 17.206 -5.483 0.691 121 1HB LEU 17 1HB LEU 17 15.574 -7.275 2.438 122 2HB LEU 17 2HB LEU 17 17.319 -7.529 2.433 123 HG LEU 17 HG LEU 17 16.666 -5.933 4.195 124 1HD1 LEU 17 1HD1 LEU 17 18.776 -5.712 2.589 125 2HD1 LEU 17 2HD1 LEU 17 17.966 -4.217 2.116 126 3HD1 LEU 17 3HD1 LEU 17 18.421 -4.479 3.800 127 1HD2 LEU 17 1HD2 LEU 17 15.578 -4.352 1.844 128 2HD2 LEU 17 2HD2 LEU 17 14.649 -5.014 3.189 129 3HD2 LEU 17 3HD2 LEU 17 15.786 -3.695 3.468 130 H ALA 18 H ALA 18 15.423 -8.505 0.057 131 HA ALA 18 HA ALA 18 17.733 -10.004 -0.844 132 1HB ALA 18 1HB ALA 18 15.355 -11.053 -1.955 133 2HB ALA 18 2HB ALA 18 14.883 -10.320 -0.421 134 3HB ALA 18 3HB ALA 18 16.136 -11.560 -0.458 135 H SER 19 H SER 19 15.867 -7.521 -2.273 136 HA SER 19 HA SER 19 15.985 -6.570 -4.440 137 1HB SER 19 1HB SER 19 18.430 -7.428 -3.925 138 2HB SER 19 2HB SER 19 18.041 -8.651 -5.132 139 HG SER 19 HG SER 19 18.995 -6.476 -5.776 140 H ASP 20 H ASP 20 13.821 -8.005 -4.326 141 HA ASP 20 HA ASP 20 12.328 -9.420 -5.495 142 1HB ASP 20 1HB ASP 20 14.378 -8.784 -7.644 143 2HB ASP 20 2HB ASP 20 12.740 -9.368 -7.940 144 H LYS 21 H LYS 21 13.673 -11.079 -3.962 145 HA LYS 21 HA LYS 21 14.453 -13.334 -5.756 146 1HB LYS 21 1HB LYS 21 16.001 -12.120 -3.455 147 2HB LYS 21 2HB LYS 21 16.347 -13.733 -4.082 148 1HG LYS 21 1HG LYS 21 16.289 -12.334 -6.402 149 2HG LYS 21 2HG LYS 21 16.864 -11.079 -5.303 150 1HD LYS 21 1HD LYS 21 18.853 -12.147 -4.905 151 2HD LYS 21 2HD LYS 21 18.131 -13.753 -5.021 152 1HE LYS 21 1HE LYS 21 18.100 -13.649 -7.438 153 2HE LYS 21 2HE LYS 21 18.586 -11.942 -7.417 154 1HZ LYS 21 1HZ LYS 21 20.588 -12.636 -6.155 155 2HZ LYS 21 2HZ LYS 21 20.157 -14.258 -6.420 156 3HZ LYS 21 3HZ LYS 21 20.541 -13.259 -7.735 157 HA PRO 22 HA PRO 22 11.706 -15.429 -3.040 158 1HB PRO 22 1HB PRO 22 12.735 -17.996 -3.335 159 2HB PRO 22 2HB PRO 22 11.563 -17.244 -4.434 160 1HG PRO 22 1HG PRO 22 14.496 -17.567 -4.728 161 2HG PRO 22 2HG PRO 22 13.221 -17.619 -5.955 162 1HD PRO 22 1HD PRO 22 14.852 -15.488 -5.633 163 2HD PRO 22 2HD PRO 22 13.174 -15.339 -6.198 164 H TYR 23 H TYR 23 15.095 -15.211 -2.676 165 HA TYR 23 HA TYR 23 14.846 -15.941 0.210 166 1HB TYR 23 1HB TYR 23 17.072 -16.881 -1.624 167 2HB TYR 23 2HB TYR 23 16.813 -17.354 0.055 168 HD1 TYR 23 HD1 TYR 23 14.208 -18.160 0.451 169 HD2 TYR 23 HD2 TYR 23 16.460 -18.480 -3.193 170 HE1 TYR 23 HE1 TYR 23 12.736 -20.010 -0.296 171 HE2 TYR 23 HE2 TYR 23 14.986 -20.330 -3.940 172 HH TYR 23 HH TYR 23 12.149 -20.932 -2.951 173 H ILE 24 H ILE 24 17.308 -15.467 1.119 174 HA ILE 24 HA ILE 24 18.307 -12.919 -0.069 175 HB ILE 24 HB ILE 24 16.520 -12.489 1.649 176 1HG1 ILE 24 1HG1 ILE 24 19.336 -11.669 2.440 177 2HG1 ILE 24 2HG1 ILE 24 18.324 -10.846 1.251 178 1HG2 ILE 24 1HG2 ILE 24 17.669 -14.594 2.979 179 2HG2 ILE 24 2HG2 ILE 24 18.329 -13.219 3.864 180 3HG2 ILE 24 3HG2 ILE 24 16.584 -13.422 3.724 181 1HD1 ILE 24 1HD1 ILE 24 17.561 -11.243 4.158 182 2HD1 ILE 24 2HD1 ILE 24 18.267 -9.763 3.510 183 3HD1 ILE 24 3HD1 ILE 24 16.680 -10.297 2.957 184 H LEU 25 H LEU 25 20.538 -12.716 0.180 185 HA LEU 25 HA LEU 25 22.019 -15.018 1.213 186 1HB LEU 25 1HB LEU 25 22.584 -12.414 -0.177 187 2HB LEU 25 2HB LEU 25 23.923 -13.299 0.554 188 HG LEU 25 HG LEU 25 22.011 -14.846 -1.137 189 1HD1 LEU 25 1HD1 LEU 25 22.944 -12.502 -2.175 190 2HD1 LEU 25 2HD1 LEU 25 24.262 -13.595 -2.596 191 3HD1 LEU 25 3HD1 LEU 25 22.622 -13.942 -3.141 192 1HD2 LEU 25 1HD2 LEU 25 23.903 -15.925 0.032 193 2HD2 LEU 25 2HD2 LEU 25 24.101 -16.029 -1.717 194 3HD2 LEU 25 3HD2 LEU 25 25.028 -14.847 -0.794 195 H ALA 26 H ALA 26 23.270 -15.048 3.104 196 HA ALA 26 HA ALA 26 22.498 -13.427 5.321 197 1HB ALA 26 1HB ALA 26 25.165 -14.606 5.494 198 2HB ALA 26 2HB ALA 26 23.704 -15.021 6.389 199 3HB ALA 26 3HB ALA 26 23.992 -15.725 4.798 200 H GLU 27 H GLU 27 25.233 -13.162 3.066 201 HA GLU 27 HA GLU 27 26.665 -11.115 4.478 202 1HB GLU 27 1HB GLU 27 26.545 -12.339 1.781 203 2HB GLU 27 2HB GLU 27 27.272 -10.734 1.854 204 1HG GLU 27 1HG GLU 27 28.891 -11.459 3.488 205 2HG GLU 27 2HG GLU 27 28.079 -13.014 3.678 206 H GLU 28 H GLU 28 24.035 -11.001 2.085 207 HA GLU 28 HA GLU 28 24.107 -8.143 1.681 208 1HB GLU 28 1HB GLU 28 22.021 -10.311 1.325 209 2HB GLU 28 2HB GLU 28 21.762 -8.645 0.807 210 1HG GLU 28 1HG GLU 28 24.011 -8.898 -0.452 211 2HG GLU 28 2HG GLU 28 23.788 -10.632 -0.214 212 H LEU 29 H LEU 29 21.957 -10.214 3.676 213 HA LEU 29 HA LEU 29 20.594 -8.000 4.921 214 1HB LEU 29 1HB LEU 29 19.589 -9.709 6.240 215 2HB LEU 29 2HB LEU 29 19.933 -10.482 4.693 216 HG LEU 29 HG LEU 29 22.203 -11.131 5.816 217 1HD1 LEU 29 1HD1 LEU 29 21.071 -9.681 7.905 218 2HD1 LEU 29 2HD1 LEU 29 20.804 -11.359 8.372 219 3HD1 LEU 29 3HD1 LEU 29 22.439 -10.786 8.040 220 1HD2 LEU 29 1HD2 LEU 29 19.494 -12.335 6.380 221 2HD2 LEU 29 2HD2 LEU 29 20.707 -12.864 5.212 222 3HD2 LEU 29 3HD2 LEU 29 20.976 -13.112 6.936 223 H ARG 30 H ARG 30 23.520 -9.828 5.703 224 HA ARG 30 HA ARG 30 23.874 -8.895 8.390 225 1HB ARG 30 1HB ARG 30 25.026 -10.815 7.318 226 2HB ARG 30 2HB ARG 30 25.901 -9.690 6.276 227 1HG ARG 30 1HG ARG 30 27.429 -10.037 8.018 228 2HG ARG 30 2HG ARG 30 26.611 -8.558 8.525 229 1HD ARG 30 1HD ARG 30 25.238 -9.732 10.095 230 2HD ARG 30 2HD ARG 30 25.688 -11.308 9.411 231 HE ARG 30 HE ARG 30 27.320 -9.719 11.240 232 1HH1 ARG 30 1HH1 ARG 30 27.266 -12.033 8.677 233 2HH1 ARG 30 2HH1 ARG 30 28.794 -12.730 9.101 234 1HH2 ARG 30 1HH2 ARG 30 29.316 -10.621 11.800 235 2HH2 ARG 30 2HH2 ARG 30 29.951 -11.935 10.867 236 H ARG 31 H ARG 31 24.786 -7.520 5.248 237 HA ARG 31 HA ARG 31 26.210 -5.271 6.558 238 1HB ARG 31 1HB ARG 31 26.492 -6.743 4.226 239 2HB ARG 31 2HB ARG 31 25.801 -5.226 3.654 240 1HG ARG 31 1HG ARG 31 27.566 -4.018 5.003 241 2HG ARG 31 2HG ARG 31 28.320 -5.586 5.295 242 1HD ARG 31 1HD ARG 31 29.474 -5.007 3.371 243 2HD ARG 31 2HD ARG 31 28.043 -5.722 2.602 244 HE ARG 31 HE ARG 31 27.317 -3.544 2.020 245 1HH1 ARG 31 1HH1 ARG 31 29.813 -3.489 4.411 246 2HH1 ARG 31 2HH1 ARG 31 30.011 -1.771 4.346 247 1HH2 ARG 31 1HH2 ARG 31 27.567 -1.305 1.935 248 2HH2 ARG 31 2HH2 ARG 31 28.740 -0.535 2.949 249 H GLU 32 H GLU 32 23.041 -6.002 5.538 250 HA GLU 32 HA GLU 32 22.396 -3.162 4.896 251 1HB GLU 32 1HB GLU 32 20.884 -5.783 4.690 252 2HB GLU 32 2HB GLU 32 20.211 -4.220 4.226 253 1HG GLU 32 1HG GLU 32 22.875 -4.820 3.090 254 2HG GLU 32 2HG GLU 32 21.565 -5.850 2.511 255 H LEU 33 H LEU 33 21.964 -5.553 7.433 256 HA LEU 33 HA LEU 33 20.041 -3.722 8.815 257 1HB LEU 33 1HB LEU 33 20.497 -6.653 8.624 258 2HB LEU 33 2HB LEU 33 19.977 -6.049 10.194 259 HG LEU 33 HG LEU 33 18.473 -4.836 8.009 260 1HD1 LEU 33 1HD1 LEU 33 18.913 -7.034 6.953 261 2HD1 LEU 33 2HD1 LEU 33 18.284 -7.841 8.389 262 3HD1 LEU 33 3HD1 LEU 33 17.214 -6.859 7.390 263 1HD2 LEU 33 1HD2 LEU 33 17.965 -4.911 10.513 264 2HD2 LEU 33 2HD2 LEU 33 16.621 -5.326 9.448 265 3HD2 LEU 33 3HD2 LEU 33 17.515 -6.600 10.277 266 HA PRO 34 HA PRO 34 23.001 -2.514 11.790 267 1HB PRO 34 1HB PRO 34 21.382 -3.292 14.059 268 2HB PRO 34 2HB PRO 34 21.708 -1.660 13.452 269 1HG PRO 34 1HG PRO 34 19.361 -3.337 13.072 270 2HG PRO 34 2HG PRO 34 19.561 -1.601 12.804 271 1HD PRO 34 1HD PRO 34 19.246 -3.413 10.795 272 2HD PRO 34 2HD PRO 34 20.112 -1.873 10.606 273 HA PRO 35 HA PRO 35 25.350 -6.126 12.599 274 1HB PRO 35 1HB PRO 35 26.177 -5.643 15.177 275 2HB PRO 35 2HB PRO 35 26.935 -4.911 13.749 276 1HG PRO 35 1HG PRO 35 24.964 -3.751 15.648 277 2HG PRO 35 2HG PRO 35 26.351 -2.990 14.854 278 1HD PRO 35 1HD PRO 35 23.792 -2.626 14.033 279 2HD PRO 35 2HD PRO 35 25.185 -2.560 12.931 280 H ASP 36 H ASP 36 23.313 -4.992 15.318 281 HA ASP 36 HA ASP 36 22.921 -7.576 16.502 282 1HB ASP 36 1HB ASP 36 21.218 -5.066 16.554 283 2HB ASP 36 2HB ASP 36 21.152 -6.377 17.731 284 H GLN 37 H GLN 37 20.834 -5.671 14.279 285 HA GLN 37 HA GLN 37 18.754 -7.665 14.138 286 1HB GLN 37 1HB GLN 37 19.580 -5.163 12.730 287 2HB GLN 37 2HB GLN 37 18.409 -6.202 11.918 288 1HG GLN 37 1HG GLN 37 17.275 -4.519 13.327 289 2HG GLN 37 2HG GLN 37 16.966 -6.153 13.915 290 2HE2 GLN 37 2HE2 GLN 37 18.026 -3.067 14.882 291 1HE2 GLN 37 1HE2 GLN 37 18.735 -3.506 16.361 292 H ALA 38 H ALA 38 21.488 -6.859 11.983 293 HA ALA 38 HA ALA 38 20.936 -8.712 9.907 294 1HB ALA 38 1HB ALA 38 23.009 -6.940 10.798 295 2HB ALA 38 2HB ALA 38 23.748 -8.467 10.318 296 3HB ALA 38 3HB ALA 38 22.741 -7.576 9.176 297 H GLN 39 H GLN 39 22.889 -9.132 12.877 298 HA GLN 39 HA GLN 39 23.716 -11.825 12.328 299 1HB GLN 39 1HB GLN 39 24.501 -9.999 14.029 300 2HB GLN 39 2HB GLN 39 23.259 -10.686 15.077 301 1HG GLN 39 1HG GLN 39 24.426 -12.971 14.312 302 2HG GLN 39 2HG GLN 39 25.811 -11.896 14.116 303 2HE2 GLN 39 2HE2 GLN 39 25.992 -13.807 16.130 304 1HE2 GLN 39 1HE2 GLN 39 25.839 -13.071 17.651 305 H TYR 40 H TYR 40 20.969 -10.521 14.213 306 HA TYR 40 HA TYR 40 19.958 -13.007 15.170 307 1HB TYR 40 1HB TYR 40 19.397 -10.399 15.525 308 2HB TYR 40 2HB TYR 40 18.097 -10.804 14.404 309 HD1 TYR 40 HD1 TYR 40 16.099 -11.530 15.341 310 HD2 TYR 40 HD2 TYR 40 19.785 -12.313 17.402 311 HE1 TYR 40 HE1 TYR 40 14.838 -12.605 17.188 312 HE2 TYR 40 HE2 TYR 40 18.526 -13.387 19.248 313 HH TYR 40 HH TYR 40 16.020 -14.613 19.293 314 H CYS 41 H CYS 41 19.192 -11.189 12.184 315 HA CYS 41 HA CYS 41 17.136 -12.874 11.196 316 1HB CYS 41 1HB CYS 41 19.293 -11.326 9.725 317 2HB CYS 41 2HB CYS 41 17.766 -11.862 9.026 318 HG CYS 41 HG CYS 41 17.246 -10.195 11.496 319 H ILE 42 H ILE 42 20.675 -13.100 10.763 320 HA ILE 42 HA ILE 42 20.651 -15.353 8.985 321 HB ILE 42 HB ILE 42 22.617 -14.108 10.911 322 1HG1 ILE 42 1HG1 ILE 42 22.776 -14.383 7.905 323 2HG1 ILE 42 2HG1 ILE 42 21.884 -13.065 8.667 324 1HG2 ILE 42 1HG2 ILE 42 22.916 -16.601 9.236 325 2HG2 ILE 42 2HG2 ILE 42 24.310 -15.597 9.635 326 3HG2 ILE 42 3HG2 ILE 42 23.369 -16.349 10.922 327 1HD1 ILE 42 1HD1 ILE 42 23.924 -12.413 9.910 328 2HD1 ILE 42 2HD1 ILE 42 24.815 -13.707 9.108 329 3HD1 ILE 42 3HD1 ILE 42 24.184 -12.356 8.166 330 H LYS 43 H LYS 43 20.205 -15.082 12.432 331 HA LYS 43 HA LYS 43 20.858 -17.891 12.997 332 1HB LYS 43 1HB LYS 43 20.642 -15.459 14.379 333 2HB LYS 43 2HB LYS 43 19.327 -16.454 15.007 334 1HG LYS 43 1HG LYS 43 21.841 -17.933 14.680 335 2HG LYS 43 2HG LYS 43 21.961 -16.599 15.829 336 1HD LYS 43 1HD LYS 43 19.678 -17.541 16.730 337 2HD LYS 43 2HD LYS 43 20.196 -19.026 15.931 338 1HE LYS 43 1HE LYS 43 21.972 -17.510 17.868 339 2HE LYS 43 2HE LYS 43 20.913 -18.845 18.365 340 1HZ LYS 43 1HZ LYS 43 22.822 -19.050 16.105 341 2HZ LYS 43 2HZ LYS 43 23.220 -19.518 17.689 342 3HZ LYS 43 3HZ LYS 43 21.968 -20.307 16.856 343 H ARG 44 H ARG 44 17.934 -15.929 12.520 344 HA ARG 44 HA ARG 44 16.089 -18.015 13.351 345 1HB ARG 44 1HB ARG 44 15.817 -15.471 11.721 346 2HB ARG 44 2HB ARG 44 14.448 -16.428 12.291 347 1HG ARG 44 1HG ARG 44 16.493 -15.683 14.322 348 2HG ARG 44 2HG ARG 44 15.464 -14.382 13.719 349 1HD ARG 44 1HD ARG 44 13.983 -15.115 15.303 350 2HD ARG 44 2HD ARG 44 13.641 -16.420 14.147 351 HE ARG 44 HE ARG 44 15.923 -17.282 15.466 352 1HH1 ARG 44 1HH1 ARG 44 12.761 -16.227 16.369 353 2HH1 ARG 44 2HH1 ARG 44 12.720 -17.169 17.820 354 1HH2 ARG 44 1HH2 ARG 44 15.882 -18.513 17.355 355 2HH2 ARG 44 2HH2 ARG 44 14.487 -18.464 18.379 356 H MET 45 H MET 45 16.380 -16.528 10.103 357 HA MET 45 HA MET 45 15.070 -18.270 8.499 358 1HB MET 45 1HB MET 45 17.755 -16.929 8.224 359 2HB MET 45 2HB MET 45 17.038 -17.818 6.882 360 1HG MET 45 1HG MET 45 15.662 -16.107 6.424 361 2HG MET 45 2HG MET 45 15.048 -16.122 8.077 362 1HE MET 45 1HE MET 45 14.777 -13.719 6.914 363 2HE MET 45 2HE MET 45 15.990 -12.450 7.034 364 3HE MET 45 3HE MET 45 16.081 -13.640 5.730 365 HA PRO 46 HA PRO 46 17.101 -22.135 9.446 366 1HB PRO 46 1HB PRO 46 15.383 -23.606 7.772 367 2HB PRO 46 2HB PRO 46 15.140 -23.320 9.503 368 1HG PRO 46 1HG PRO 46 13.927 -21.960 7.172 369 2HG PRO 46 2HG PRO 46 13.247 -22.292 8.772 370 1HD PRO 46 1HD PRO 46 14.064 -19.835 8.041 371 2HD PRO 46 2HD PRO 46 14.201 -20.421 9.714 372 H ALA 47 H ALA 47 17.084 -24.101 7.292 373 HA ALA 47 HA ALA 47 19.037 -22.775 5.483 374 1HB ALA 47 1HB ALA 47 18.305 -25.651 6.117 375 2HB ALA 47 2HB ALA 47 19.752 -24.785 6.633 376 3HB ALA 47 3HB ALA 47 19.533 -25.201 4.934 377 H TYR 48 H TYR 48 18.148 -21.974 3.622 378 HA TYR 48 HA TYR 48 15.666 -22.346 2.490 379 1HB TYR 48 1HB TYR 48 16.687 -21.567 0.459 380 2HB TYR 48 2HB TYR 48 17.635 -20.881 1.778 381 HD1 TYR 48 HD1 TYR 48 17.761 -22.797 -1.219 382 HD2 TYR 48 HD2 TYR 48 19.689 -22.291 2.585 383 HE1 TYR 48 HE1 TYR 48 19.796 -23.908 -2.102 384 HE2 TYR 48 HE2 TYR 48 21.724 -23.400 1.702 385 HH TYR 48 HH TYR 48 21.749 -25.145 -1.202 386 H SER 49 H SER 49 14.680 -23.888 1.133 387 HA SER 49 HA SER 49 16.240 -26.252 0.248 388 1HB SER 49 1HB SER 49 14.567 -26.111 2.609 389 2HB SER 49 2HB SER 49 13.914 -27.285 1.469 390 HG SER 49 HG SER 49 16.523 -27.158 2.574 391 H GLY 50 H GLY 50 14.550 -23.960 -0.902 392 1HA GLY 50 1HA GLY 50 12.430 -23.839 -2.146 393 2HA GLY 50 2HA GLY 50 12.458 -25.600 -2.263 394 HA PRO 51 HA PRO 51 14.284 -25.001 -6.190 395 1HB PRO 51 1HB PRO 51 12.708 -23.228 -7.657 396 2HB PRO 51 2HB PRO 51 12.367 -24.955 -7.444 397 1HG PRO 51 1HG PRO 51 11.207 -22.611 -6.049 398 2HG PRO 51 2HG PRO 51 10.451 -24.143 -6.509 399 1HD PRO 51 1HD PRO 51 11.173 -23.588 -3.971 400 2HD PRO 51 2HD PRO 51 11.209 -25.236 -4.636 401 H GLY 52 H GLY 52 15.475 -23.479 -7.678 402 1HA GLY 52 1HA GLY 52 15.728 -20.679 -6.878 403 2HA GLY 52 2HA GLY 52 16.667 -21.488 -8.134 404 H SER 53 H SER 53 16.969 -23.548 -5.672 405 HA SER 53 HA SER 53 18.419 -22.695 -3.588 406 1HB SER 53 1HB SER 53 19.892 -24.800 -4.915 407 2HB SER 53 2HB SER 53 18.867 -24.900 -3.488 408 HG SER 53 HG SER 53 17.950 -26.146 -5.095 409 H VAL 54 H VAL 54 20.392 -21.785 -3.184 410 HA VAL 54 HA VAL 54 22.331 -21.434 -5.420 411 HB VAL 54 HB VAL 54 22.484 -18.978 -4.500 412 1HG1 VAL 54 1HG1 VAL 54 21.320 -20.105 -6.682 413 2HG1 VAL 54 2HG1 VAL 54 19.920 -19.327 -5.944 414 3HG1 VAL 54 3HG1 VAL 54 21.336 -18.369 -6.376 415 1HG2 VAL 54 1HG2 VAL 54 20.478 -19.983 -2.830 416 2HG2 VAL 54 2HG2 VAL 54 20.896 -18.285 -3.051 417 3HG2 VAL 54 3HG2 VAL 54 19.611 -19.011 -4.015 418 HA PRO 55 HA PRO 55 25.156 -21.660 -2.061 419 1HB PRO 55 1HB PRO 55 27.077 -19.721 -2.671 420 2HB PRO 55 2HB PRO 55 26.962 -21.324 -3.421 421 1HG PRO 55 1HG PRO 55 26.034 -18.693 -4.427 422 2HG PRO 55 2HG PRO 55 26.693 -20.078 -5.313 423 1HD PRO 55 1HD PRO 55 24.071 -19.488 -5.322 424 2HD PRO 55 2HD PRO 55 24.663 -21.161 -5.394 425 H GLY 56 H GLY 56 24.639 -21.053 0.007 426 1HA GLY 56 1HA GLY 56 25.239 -18.327 0.896 427 2HA GLY 56 2HA GLY 56 24.718 -19.661 1.924 428 H ALA 57 H ALA 57 22.348 -20.273 0.294 429 HA ALA 57 HA ALA 57 20.730 -17.794 0.386 430 1HB ALA 57 1HB ALA 57 20.752 -20.342 -0.970 431 2HB ALA 57 2HB ALA 57 19.180 -20.091 -0.211 432 3HB ALA 57 3HB ALA 57 19.808 -18.902 -1.352 433 H LEU 58 H LEU 58 19.201 -17.382 1.965 434 HA LEU 58 HA LEU 58 18.749 -19.497 4.049 435 1HB LEU 58 1HB LEU 58 19.130 -16.495 4.273 436 2HB LEU 58 2HB LEU 58 18.618 -17.515 5.616 437 HG LEU 58 HG LEU 58 21.130 -18.097 4.044 438 1HD1 LEU 58 1HD1 LEU 58 20.800 -16.377 6.520 439 2HD1 LEU 58 2HD1 LEU 58 22.347 -16.966 5.912 440 3HD1 LEU 58 3HD1 LEU 58 21.387 -15.846 4.944 441 1HD2 LEU 58 1HD2 LEU 58 19.702 -19.514 5.969 442 2HD2 LEU 58 2HD2 LEU 58 21.386 -19.792 5.523 443 3HD2 LEU 58 3HD2 LEU 58 20.996 -18.750 6.892 444 H ASP 59 H ASP 59 16.592 -19.309 5.110 445 HA ASP 59 HA ASP 59 14.574 -18.175 3.211 446 1HB ASP 59 1HB ASP 59 14.823 -20.539 4.965 447 2HB ASP 59 2HB ASP 59 13.223 -19.800 4.946 448 H TYR 60 H TYR 60 13.943 -16.158 3.870 449 HA TYR 60 HA TYR 60 13.899 -15.335 6.681 450 1HB TYR 60 1HB TYR 60 13.098 -13.216 5.642 451 2HB TYR 60 2HB TYR 60 14.525 -13.836 4.814 452 HD1 TYR 60 HD1 TYR 60 14.447 -14.539 2.543 453 HD2 TYR 60 HD2 TYR 60 10.817 -13.597 4.637 454 HE1 TYR 60 HE1 TYR 60 13.196 -14.620 0.406 455 HE2 TYR 60 HE2 TYR 60 9.563 -13.677 2.496 456 HH TYR 60 HH TYR 60 11.242 -14.072 -0.594 457 H ALA 61 H ALA 61 11.582 -16.444 4.253 458 HA ALA 61 HA ALA 61 9.150 -15.583 5.406 459 1HB ALA 61 1HB ALA 61 8.715 -16.640 3.434 460 2HB ALA 61 2HB ALA 61 8.648 -18.114 4.401 461 3HB ALA 61 3HB ALA 61 10.142 -17.665 3.578 462 H ALA 62 H ALA 62 11.229 -18.343 6.218 463 HA ALA 62 HA ALA 62 9.427 -19.565 8.100 464 1HB ALA 62 1HB ALA 62 12.115 -20.101 8.796 465 2HB ALA 62 2HB ALA 62 11.062 -21.096 7.790 466 3HB ALA 62 3HB ALA 62 12.097 -19.878 7.047 467 H PHE 63 H PHE 63 11.929 -17.102 8.355 468 HA PHE 63 HA PHE 63 11.920 -16.949 11.250 469 1HB PHE 63 1HB PHE 63 13.810 -16.214 9.918 470 2HB PHE 63 2HB PHE 63 12.797 -15.077 9.030 471 HD1 PHE 63 HD1 PHE 63 14.248 -13.179 9.681 472 HD2 PHE 63 HD2 PHE 63 12.245 -15.596 12.613 473 HE1 PHE 63 HE1 PHE 63 14.676 -11.446 11.403 474 HE2 PHE 63 HE2 PHE 63 12.672 -13.863 14.335 475 HZ PHE 63 HZ PHE 63 13.887 -11.788 13.730 476 H SER 64 H SER 64 10.082 -15.379 8.670 477 HA SER 64 HA SER 64 8.937 -13.285 10.309 478 1HB SER 64 1HB SER 64 7.935 -14.590 7.761 479 2HB SER 64 2HB SER 64 7.494 -12.993 8.355 480 HG SER 64 HG SER 64 9.122 -12.552 7.013 481 H SER 65 H SER 65 7.662 -16.432 9.159 482 HA SER 65 HA SER 65 5.131 -16.258 10.478 483 1HB SER 65 1HB SER 65 5.109 -17.976 8.978 484 2HB SER 65 2HB SER 65 6.843 -18.244 9.129 485 HG SER 65 HG SER 65 5.385 -19.936 9.965 486 H ALA 66 H ALA 66 8.230 -17.710 11.512 487 HA ALA 66 HA ALA 66 7.324 -18.808 13.984 488 1HB ALA 66 1HB ALA 66 9.984 -18.012 14.313 489 2HB ALA 66 2HB ALA 66 9.437 -19.551 13.648 490 3HB ALA 66 3HB ALA 66 9.805 -18.205 12.569 491 H LEU 67 H LEU 67 8.632 -15.580 13.196 492 HA LEU 67 HA LEU 67 8.844 -14.528 15.813 493 1HB LEU 67 1HB LEU 67 9.102 -13.685 13.168 494 2HB LEU 67 2HB LEU 67 7.829 -12.649 13.817 495 HG LEU 67 HG LEU 67 10.518 -13.100 15.142 496 1HD1 LEU 67 1HD1 LEU 67 10.512 -11.811 12.932 497 2HD1 LEU 67 2HD1 LEU 67 9.534 -10.598 13.757 498 3HD1 LEU 67 3HD1 LEU 67 11.165 -10.951 14.327 499 1HD2 LEU 67 1HD2 LEU 67 8.070 -11.463 15.779 500 2HD2 LEU 67 2HD2 LEU 67 9.012 -12.504 16.847 501 3HD2 LEU 67 3HD2 LEU 67 9.659 -10.942 16.342 502 H TYR 68 H TYR 68 6.013 -14.691 13.649 503 HA TYR 68 HA TYR 68 4.303 -13.397 15.694 504 1HB TYR 68 1HB TYR 68 4.118 -14.231 12.820 505 2HB TYR 68 2HB TYR 68 2.623 -13.985 13.722 506 HD1 TYR 68 HD1 TYR 68 5.151 -12.391 11.820 507 HD2 TYR 68 HD2 TYR 68 2.514 -11.767 15.153 508 HE1 TYR 68 HE1 TYR 68 5.392 -9.938 11.551 509 HE2 TYR 68 HE2 TYR 68 2.755 -9.312 14.884 510 HH TYR 68 HH TYR 68 4.452 -7.730 13.904 511 H GLY 69 H GLY 69 5.059 -16.583 14.459 512 1HA GLY 69 1HA GLY 69 2.999 -17.713 16.309 513 2HA GLY 69 2HA GLY 69 4.546 -18.491 15.972 514 H GLU 70 H GLU 70 1.605 -17.353 14.275 515 HA GLU 70 HA GLU 70 0.484 -18.277 12.408 516 1HB GLU 70 1HB GLU 70 2.937 -17.989 11.618 517 2HB GLU 70 2HB GLU 70 3.075 -19.730 11.863 518 1HG GLU 70 1HG GLU 70 2.288 -19.892 9.740 519 2HG GLU 70 2HG GLU 70 0.717 -19.545 10.464 520 H SER 71 H SER 71 0.915 -19.786 15.091 521 HA SER 71 HA SER 71 0.085 -22.478 14.057 522 1HB SER 71 1HB SER 71 1.233 -23.275 16.218 523 2HB SER 71 2HB SER 71 2.292 -22.695 14.935 524 HG SER 71 HG SER 71 2.587 -20.820 16.025 525 H ASP 72 H ASP 72 0.250 -21.122 17.347 526 HA ASP 72 HA ASP 72 -2.538 -21.966 17.833 527 1HB ASP 72 1HB ASP 72 -0.098 -21.315 19.325 528 2HB ASP 72 2HB ASP 72 -1.552 -20.657 20.078 529 H LEU 73 H LEU 73 -4.210 -20.562 17.481 530 HA LEU 73 HA LEU 73 -3.737 -17.638 17.924 531 1HB LEU 73 1HB LEU 73 -5.046 -17.251 15.833 532 2HB LEU 73 2HB LEU 73 -3.559 -18.151 15.528 533 HG LEU 73 HG LEU 73 -5.753 -19.937 16.197 534 1HD1 LEU 73 1HD1 LEU 73 -6.315 -17.710 14.385 535 2HD1 LEU 73 2HD1 LEU 73 -6.520 -19.279 13.605 536 3HD1 LEU 73 3HD1 LEU 73 -7.419 -18.900 15.073 537 1HD2 LEU 73 1HD2 LEU 73 -3.410 -19.880 14.644 538 2HD2 LEU 73 2HD2 LEU 73 -4.532 -21.231 14.808 539 3HD2 LEU 73 3HD2 LEU 73 -4.723 -20.080 13.485 540 H GLY 7 H GLY 7 11.581 7.524 1.846 541 1HA GLY 7 1HA GLY 7 13.395 5.837 0.738 542 2HA GLY 7 2HA GLY 7 12.077 6.485 -0.240 543 H LYS 8 H LYS 8 13.294 3.880 -0.584 544 HA LYS 8 HA LYS 8 10.889 2.172 -0.062 545 1HB LYS 8 1HB LYS 8 11.789 2.832 -2.416 546 2HB LYS 8 2HB LYS 8 13.067 1.662 -2.084 547 1HG LYS 8 1HG LYS 8 11.638 0.089 -2.854 548 2HG LYS 8 2HG LYS 8 10.754 0.312 -1.345 549 1HD LYS 8 1HD LYS 8 9.245 1.862 -2.333 550 2HD LYS 8 2HD LYS 8 10.267 2.066 -3.755 551 1HE LYS 8 1HE LYS 8 8.498 0.612 -4.458 552 2HE LYS 8 2HE LYS 8 9.881 -0.462 -4.168 553 1HZ LYS 8 1HZ LYS 8 7.825 0.218 -2.133 554 2HZ LYS 8 2HZ LYS 8 7.829 -1.217 -3.043 555 3HZ LYS 8 3HZ LYS 8 9.094 -0.898 -1.960 556 H LYS 9 H LYS 9 14.439 1.795 -0.483 557 HA LYS 9 HA LYS 9 14.639 -0.753 0.772 558 1HB LYS 9 1HB LYS 9 16.277 1.079 -0.500 559 2HB LYS 9 2HB LYS 9 16.905 1.083 1.148 560 1HG LYS 9 1HG LYS 9 16.852 -1.484 0.998 561 2HG LYS 9 2HG LYS 9 16.638 -1.261 -0.738 562 1HD LYS 9 1HD LYS 9 18.867 -1.020 -0.931 563 2HD LYS 9 2HD LYS 9 18.742 0.466 0.010 564 1HE LYS 9 1HE LYS 9 18.580 -1.598 1.915 565 2HE LYS 9 2HE LYS 9 19.876 -2.085 0.804 566 1HZ LYS 9 1HZ LYS 9 19.682 0.724 1.644 567 2HZ LYS 9 2HZ LYS 9 20.372 -0.398 2.713 568 3HZ LYS 9 3HZ LYS 9 21.051 -0.165 1.171 569 H ALA 10 H ALA 10 15.243 2.504 2.152 570 HA ALA 10 HA ALA 10 15.812 1.707 4.808 571 1HB ALA 10 1HB ALA 10 14.892 4.073 5.275 572 2HB ALA 10 2HB ALA 10 16.209 3.951 4.108 573 3HB ALA 10 3HB ALA 10 14.549 4.149 3.547 574 H GLU 11 H GLU 11 12.700 2.215 3.177 575 HA GLU 11 HA GLU 11 11.006 2.105 5.477 576 1HB GLU 11 1HB GLU 11 10.618 2.707 2.952 577 2HB GLU 11 2HB GLU 11 10.279 0.985 2.777 578 1HG GLU 11 1HG GLU 11 8.557 1.134 4.532 579 2HG GLU 11 2HG GLU 11 8.900 2.854 4.728 580 H ALA 12 H ALA 12 12.217 -0.468 3.311 581 HA ALA 12 HA ALA 12 10.787 -2.628 4.565 582 1HB ALA 12 1HB ALA 12 11.606 -3.131 2.454 583 2HB ALA 12 2HB ALA 12 13.108 -2.246 2.717 584 3HB ALA 12 3HB ALA 12 12.888 -3.841 3.437 585 H VAL 13 H VAL 13 14.048 -1.269 5.062 586 HA VAL 13 HA VAL 13 14.992 -3.187 6.950 587 HB VAL 13 HB VAL 13 15.540 -0.214 6.654 588 1HG1 VAL 13 1HG1 VAL 13 16.769 -2.392 8.284 589 2HG1 VAL 13 2HG1 VAL 13 17.858 -1.227 7.528 590 3HG1 VAL 13 3HG1 VAL 13 16.611 -0.672 8.643 591 1HG2 VAL 13 1HG2 VAL 13 15.892 -2.154 4.765 592 2HG2 VAL 13 2HG2 VAL 13 16.917 -0.725 4.904 593 3HG2 VAL 13 3HG2 VAL 13 17.429 -2.251 5.625 594 H ALA 14 H ALA 14 13.249 -0.101 7.432 595 HA ALA 14 HA ALA 14 13.215 -0.085 10.271 596 1HB ALA 14 1HB ALA 14 12.561 1.762 8.733 597 2HB ALA 14 2HB ALA 14 11.115 0.857 8.289 598 3HB ALA 14 3HB ALA 14 11.314 1.446 9.939 599 H THR 15 H THR 15 10.904 -1.524 7.953 600 HA THR 15 HA THR 15 9.042 -2.514 9.888 601 HB THR 15 HB THR 15 9.831 -3.427 7.104 602 HG1 THR 15 HG1 THR 15 8.968 -1.269 7.463 603 1HG2 THR 15 1HG2 THR 15 7.838 -4.444 9.039 604 2HG2 THR 15 2HG2 THR 15 7.232 -4.165 7.407 605 3HG2 THR 15 3HG2 THR 15 8.594 -5.254 7.668 606 H VAL 16 H VAL 16 11.890 -4.033 8.351 607 HA VAL 16 HA VAL 16 11.605 -6.611 9.572 608 HB VAL 16 HB VAL 16 13.993 -5.038 8.557 609 1HG1 VAL 16 1HG1 VAL 16 13.732 -7.770 9.702 610 2HG1 VAL 16 2HG1 VAL 16 14.704 -7.620 8.239 611 3HG1 VAL 16 3HG1 VAL 16 15.125 -6.690 9.676 612 1HG2 VAL 16 1HG2 VAL 16 12.167 -5.515 6.922 613 2HG2 VAL 16 2HG2 VAL 16 13.665 -6.355 6.523 614 3HG2 VAL 16 3HG2 VAL 16 12.336 -7.235 7.278 615 H VAL 17 H VAL 17 13.382 -3.681 10.575 616 HA VAL 17 HA VAL 17 14.655 -4.768 12.885 617 HB VAL 17 HB VAL 17 13.641 -2.000 12.169 618 1HG1 VAL 17 1HG1 VAL 17 13.942 -2.209 14.612 619 2HG1 VAL 17 2HG1 VAL 17 15.568 -2.842 14.358 620 3HG1 VAL 17 3HG1 VAL 17 15.188 -1.179 13.909 621 1HG2 VAL 17 1HG2 VAL 17 15.655 -3.528 11.053 622 2HG2 VAL 17 2HG2 VAL 17 15.572 -1.767 10.999 623 3HG2 VAL 17 3HG2 VAL 17 16.525 -2.566 12.249 624 H ALA 18 H ALA 18 11.485 -3.148 12.515 625 HA ALA 18 HA ALA 18 10.725 -3.173 15.261 626 1HB ALA 18 1HB ALA 18 9.710 -2.332 12.835 627 2HB ALA 18 2HB ALA 18 8.596 -3.625 13.281 628 3HB ALA 18 3HB ALA 18 8.840 -2.258 14.368 629 H ALA 19 H ALA 19 10.110 -5.560 12.665 630 HA ALA 19 HA ALA 19 8.625 -7.408 14.277 631 1HB ALA 19 1HB ALA 19 8.728 -7.327 11.790 632 2HB ALA 19 2HB ALA 19 10.405 -7.869 11.860 633 3HB ALA 19 3HB ALA 19 9.111 -8.934 12.409 634 H VAL 20 H VAL 20 12.106 -7.261 13.438 635 HA VAL 20 HA VAL 20 12.853 -9.612 14.928 636 HB VAL 20 HB VAL 20 14.333 -7.151 13.956 637 1HG1 VAL 20 1HG1 VAL 20 15.421 -9.747 15.090 638 2HG1 VAL 20 2HG1 VAL 20 16.393 -8.516 14.285 639 3HG1 VAL 20 3HG1 VAL 20 15.587 -8.145 15.809 640 1HG2 VAL 20 1HG2 VAL 20 13.233 -9.373 12.630 641 2HG2 VAL 20 2HG2 VAL 20 14.388 -8.219 11.966 642 3HG2 VAL 20 3HG2 VAL 20 14.962 -9.706 12.723 643 H ASP 21 H ASP 21 12.803 -6.138 15.733 644 HA ASP 21 HA ASP 21 14.049 -6.307 18.295 645 1HB ASP 21 1HB ASP 21 13.464 -4.292 16.816 646 2HB ASP 21 2HB ASP 21 11.831 -4.418 17.472 647 H GLN 22 H GLN 22 10.726 -6.899 17.244 648 HA GLN 22 HA GLN 22 9.370 -6.832 19.722 649 1HB GLN 22 1HB GLN 22 8.900 -7.550 17.064 650 2HB GLN 22 2HB GLN 22 8.585 -9.033 17.964 651 1HG GLN 22 1HG GLN 22 6.507 -7.944 18.034 652 2HG GLN 22 2HG GLN 22 7.236 -7.482 19.573 653 2HE2 GLN 22 2HE2 GLN 22 7.287 -5.266 19.982 654 1HE2 GLN 22 1HE2 GLN 22 7.155 -4.056 18.799 655 H ALA 23 H ALA 23 10.958 -9.641 18.149 656 HA ALA 23 HA ALA 23 10.521 -11.509 20.257 657 1HB ALA 23 1HB ALA 23 11.338 -11.787 17.821 658 2HB ALA 23 2HB ALA 23 12.076 -12.831 19.035 659 3HB ALA 23 3HB ALA 23 12.943 -11.410 18.449 660 H ARG 24 H ARG 24 13.174 -9.210 19.672 661 HA ARG 24 HA ARG 24 14.859 -10.061 21.846 662 1HB ARG 24 1HB ARG 24 15.235 -8.558 19.731 663 2HB ARG 24 2HB ARG 24 14.673 -7.253 20.773 664 1HG ARG 24 1HG ARG 24 16.452 -8.393 22.445 665 2HG ARG 24 2HG ARG 24 17.193 -8.825 20.902 666 1HD ARG 24 1HD ARG 24 18.134 -6.707 21.303 667 2HD ARG 24 2HD ARG 24 16.721 -6.291 20.313 668 HE ARG 24 HE ARG 24 16.322 -6.423 23.249 669 1HH1 ARG 24 1HH1 ARG 24 16.737 -4.525 20.371 670 2HH1 ARG 24 2HH1 ARG 24 16.049 -3.103 21.072 671 1HH2 ARG 24 1HH2 ARG 24 15.448 -4.560 24.151 672 2HH2 ARG 24 2HH2 ARG 24 15.333 -3.117 23.201 673 H VAL 25 H VAL 25 12.180 -7.760 21.595 674 HA VAL 25 HA VAL 25 12.496 -6.391 24.062 675 HB VAL 25 HB VAL 25 10.151 -7.143 22.314 676 1HG1 VAL 25 1HG1 VAL 25 10.192 -5.719 24.962 677 2HG1 VAL 25 2HG1 VAL 25 9.026 -5.234 23.730 678 3HG1 VAL 25 3HG1 VAL 25 9.022 -6.886 24.347 679 1HG2 VAL 25 1HG2 VAL 25 12.076 -4.928 22.559 680 2HG2 VAL 25 2HG2 VAL 25 11.108 -5.426 21.171 681 3HG2 VAL 25 3HG2 VAL 25 10.399 -4.400 22.419 682 H ARG 26 H ARG 26 11.511 -9.638 23.393 683 HA ARG 26 HA ARG 26 10.107 -10.042 25.937 684 1HB ARG 26 1HB ARG 26 11.167 -12.118 24.005 685 2HB ARG 26 2HB ARG 26 9.784 -12.250 25.087 686 1HG ARG 26 1HG ARG 26 8.851 -10.207 23.753 687 2HG ARG 26 2HG ARG 26 10.031 -10.685 22.534 688 1HD ARG 26 1HD ARG 26 8.125 -11.900 21.873 689 2HD ARG 26 2HD ARG 26 8.976 -13.090 22.868 690 HE ARG 26 HE ARG 26 6.594 -11.520 23.702 691 1HH1 ARG 26 1HH1 ARG 26 9.076 -13.845 24.438 692 2HH1 ARG 26 2HH1 ARG 26 8.274 -14.419 25.856 693 1HH2 ARG 26 1HH2 ARG 26 5.561 -12.297 25.540 694 2HH2 ARG 26 2HH2 ARG 26 6.297 -13.558 26.472 695 H GLU 27 H GLU 27 13.162 -9.331 25.576 696 HA GLU 27 HA GLU 27 14.294 -11.550 27.228 697 1HB GLU 27 1HB GLU 27 15.188 -10.394 24.949 698 2HB GLU 27 2HB GLU 27 15.945 -9.326 26.131 699 1HG GLU 27 1HG GLU 27 17.558 -10.879 26.369 700 2HG GLU 27 2HG GLU 27 16.351 -11.913 27.138 701 HA PRO 28 HA PRO 28 13.263 -9.338 31.057 702 1HB PRO 28 1HB PRO 28 16.234 -9.666 31.228 703 2HB PRO 28 2HB PRO 28 14.990 -9.998 32.450 704 1HG PRO 28 1HG PRO 28 16.139 -11.951 31.029 705 2HG PRO 28 2HG PRO 28 14.448 -12.024 31.549 706 1HD PRO 28 1HD PRO 28 15.556 -11.650 28.853 707 2HD PRO 28 2HD PRO 28 13.950 -12.217 29.349 708 H ARG 29 H ARG 29 12.949 -7.401 29.439 709 HA ARG 29 HA ARG 29 14.485 -5.161 30.361 710 1HB ARG 29 1HB ARG 29 15.890 -6.748 28.637 711 2HB ARG 29 2HB ARG 29 15.152 -5.609 27.510 712 1HG ARG 29 1HG ARG 29 16.830 -4.192 28.046 713 2HG ARG 29 2HG ARG 29 16.020 -3.990 29.600 714 1HD ARG 29 1HD ARG 29 17.347 -5.760 30.600 715 2HD ARG 29 2HD ARG 29 18.068 -6.164 29.034 716 HE ARG 29 HE ARG 29 18.628 -3.718 30.621 717 1HH1 ARG 29 1HH1 ARG 29 18.987 -5.505 27.668 718 2HH1 ARG 29 2HH1 ARG 29 20.430 -4.674 27.203 719 1HH2 ARG 29 1HH2 ARG 29 20.499 -2.635 30.000 720 2HH2 ARG 29 2HH2 ARG 29 21.279 -3.057 28.512 No H/Q in entry = 720 Start of MODEL 28 1 H MET 1 H MET 1 -6.642 4.046 4.353 2 HA MET 1 HA MET 1 -5.573 4.150 6.494 3 1HB MET 1 1HB MET 1 -8.344 5.154 7.214 4 2HB MET 1 2HB MET 1 -7.016 5.049 8.370 5 1HG MET 1 1HG MET 1 -5.937 6.852 7.488 6 2HG MET 1 2HG MET 1 -6.351 6.410 5.832 7 1HE MET 1 1HE MET 1 -6.296 8.757 5.584 8 2HE MET 1 2HE MET 1 -7.760 8.561 4.611 9 3HE MET 1 3HE MET 1 -7.653 9.861 5.795 10 H ALA 2 H ALA 2 -5.193 1.989 6.932 11 HA ALA 2 HA ALA 2 -7.178 0.522 8.539 12 1HB ALA 2 1HB ALA 2 -7.375 0.347 5.826 13 2HB ALA 2 2HB ALA 2 -6.257 -0.977 6.153 14 3HB ALA 2 3HB ALA 2 -7.845 -0.954 6.920 15 H ASP 3 H ASP 3 -6.203 -1.839 8.876 16 HA ASP 3 HA ASP 3 -3.327 -2.150 8.629 17 1HB ASP 3 1HB ASP 3 -3.853 -0.309 10.420 18 2HB ASP 3 2HB ASP 3 -4.305 -1.676 11.439 19 H THR 4 H THR 4 -4.328 -4.205 7.852 20 HA THR 4 HA THR 4 -5.072 -6.016 10.130 21 HB THR 4 HB THR 4 -6.892 -5.281 8.495 22 HG1 THR 4 HG1 THR 4 -6.405 -8.050 8.345 23 1HG2 THR 4 1HG2 THR 4 -5.398 -5.358 6.490 24 2HG2 THR 4 2HG2 THR 4 -5.369 -7.116 6.628 25 3HG2 THR 4 3HG2 THR 4 -6.885 -6.285 6.283 26 H ASP 5 H ASP 5 -2.526 -5.368 8.335 27 HA ASP 5 HA ASP 5 -1.797 -8.249 7.997 28 1HB ASP 5 1HB ASP 5 -2.370 -6.328 5.955 29 2HB ASP 5 2HB ASP 5 -0.644 -6.688 5.893 30 H THR 6 H THR 6 -0.146 -8.388 9.494 31 HA THR 6 HA THR 6 1.901 -6.197 9.543 32 HB THR 6 HB THR 6 1.270 -8.341 11.596 33 HG1 THR 6 HG1 THR 6 0.279 -5.744 11.168 34 1HG2 THR 6 1HG2 THR 6 3.481 -6.700 11.345 35 2HG2 THR 6 2HG2 THR 6 2.447 -5.799 12.454 36 3HG2 THR 6 3HG2 THR 6 2.931 -7.450 12.843 37 H ALA 7 H ALA 7 1.509 -9.749 9.661 38 HA ALA 7 HA ALA 7 4.311 -10.376 9.470 39 1HB ALA 7 1HB ALA 7 1.694 -11.786 8.946 40 2HB ALA 7 2HB ALA 7 3.227 -12.593 8.609 41 3HB ALA 7 3HB ALA 7 2.849 -12.062 10.249 42 H GLU 8 H GLU 8 1.715 -10.167 7.021 43 HA GLU 8 HA GLU 8 3.184 -10.900 4.726 44 1HB GLU 8 1HB GLU 8 0.692 -10.388 5.061 45 2HB GLU 8 2HB GLU 8 1.122 -8.687 4.880 46 1HG GLU 8 1HG GLU 8 2.134 -9.194 2.672 47 2HG GLU 8 2HG GLU 8 1.640 -10.878 2.848 48 H GLN 9 H GLN 9 3.008 -7.790 6.431 49 HA GLN 9 HA GLN 9 4.378 -6.178 4.513 50 1HB GLN 9 1HB GLN 9 3.161 -5.844 6.931 51 2HB GLN 9 2HB GLN 9 4.854 -5.694 7.400 52 1HG GLN 9 1HG GLN 9 5.172 -3.770 6.171 53 2HG GLN 9 2HG GLN 9 3.972 -4.223 4.959 54 2HE2 GLN 9 2HE2 GLN 9 3.901 -1.622 6.087 55 1HE2 GLN 9 1HE2 GLN 9 2.527 -1.485 7.076 56 H VAL 10 H VAL 10 5.599 -8.215 7.176 57 HA VAL 10 HA VAL 10 8.342 -7.488 7.057 58 HB VAL 10 HB VAL 10 6.951 -10.114 7.676 59 1HG1 VAL 10 1HG1 VAL 10 9.802 -9.231 7.868 60 2HG1 VAL 10 2HG1 VAL 10 9.159 -10.248 9.158 61 3HG1 VAL 10 3HG1 VAL 10 9.146 -10.824 7.491 62 1HG2 VAL 10 1HG2 VAL 10 7.579 -7.612 9.198 63 2HG2 VAL 10 2HG2 VAL 10 6.147 -8.637 9.274 64 3HG2 VAL 10 3HG2 VAL 10 7.640 -9.150 10.060 65 H ILE 11 H ILE 11 6.679 -10.205 5.410 66 HA ILE 11 HA ILE 11 8.863 -11.166 3.897 67 HB ILE 11 HB ILE 11 5.882 -11.010 3.353 68 1HG1 ILE 11 1HG1 ILE 11 7.676 -13.243 4.362 69 2HG1 ILE 11 2HG1 ILE 11 6.583 -12.283 5.361 70 1HG2 ILE 11 1HG2 ILE 11 8.105 -12.002 1.696 71 2HG2 ILE 11 2HG2 ILE 11 6.829 -13.190 1.961 72 3HG2 ILE 11 3HG2 ILE 11 6.444 -11.627 1.239 73 1HD1 ILE 11 1HD1 ILE 11 4.680 -13.060 3.923 74 2HD1 ILE 11 2HD1 ILE 11 5.806 -14.124 3.080 75 3HD1 ILE 11 3HD1 ILE 11 5.475 -14.371 4.795 76 H ALA 12 H ALA 12 6.395 -8.731 2.976 77 HA ALA 12 HA ALA 12 7.446 -8.080 0.414 78 1HB ALA 12 1HB ALA 12 5.632 -6.961 2.447 79 2HB ALA 12 2HB ALA 12 6.395 -5.732 1.440 80 3HB ALA 12 3HB ALA 12 5.445 -7.018 0.695 81 H SER 13 H SER 13 8.218 -6.839 3.658 82 HA SER 13 HA SER 13 10.102 -4.830 2.809 83 1HB SER 13 1HB SER 13 10.365 -4.553 5.098 84 2HB SER 13 2HB SER 13 8.851 -5.456 5.101 85 HG SER 13 HG SER 13 10.261 -6.469 6.495 86 H PHE 14 H PHE 14 10.374 -8.272 3.667 87 HA PHE 14 HA PHE 14 13.262 -8.411 3.572 88 1HB PHE 14 1HB PHE 14 10.907 -10.219 3.658 89 2HB PHE 14 2HB PHE 14 12.386 -10.924 3.006 90 HD1 PHE 14 HD1 PHE 14 10.595 -10.492 5.947 91 HD2 PHE 14 HD2 PHE 14 14.589 -10.107 4.411 92 HE1 PHE 14 HE1 PHE 14 11.501 -10.725 8.245 93 HE2 PHE 14 HE2 PHE 14 15.494 -10.341 6.708 94 HZ PHE 14 HZ PHE 14 13.951 -10.649 8.625 95 H ARG 15 H ARG 15 10.699 -9.086 1.171 96 HA ARG 15 HA ARG 15 12.281 -10.042 -0.957 97 1HB ARG 15 1HB ARG 15 9.668 -9.450 -0.522 98 2HB ARG 15 2HB ARG 15 10.111 -8.096 -1.563 99 1HG ARG 15 1HG ARG 15 9.610 -9.607 -3.216 100 2HG ARG 15 2HG ARG 15 11.281 -10.098 -2.939 101 1HD ARG 15 1HD ARG 15 10.342 -12.172 -2.635 102 2HD ARG 15 2HD ARG 15 9.982 -11.553 -1.011 103 HE ARG 15 HE ARG 15 7.975 -10.722 -2.927 104 1HH1 ARG 15 1HH1 ARG 15 9.109 -13.320 -0.951 105 2HH1 ARG 15 2HH1 ARG 15 7.553 -14.068 -0.819 106 1HH2 ARG 15 1HH2 ARG 15 5.942 -11.694 -2.763 107 2HH2 ARG 15 2HH2 ARG 15 5.764 -13.150 -1.843 108 H ILE 16 H ILE 16 11.435 -6.656 -0.154 109 HA ILE 16 HA ILE 16 12.885 -5.387 -2.249 110 HB ILE 16 HB ILE 16 12.177 -4.594 0.593 111 1HG1 ILE 16 1HG1 ILE 16 10.965 -3.834 -2.084 112 2HG1 ILE 16 2HG1 ILE 16 10.308 -5.063 -1.003 113 1HG2 ILE 16 1HG2 ILE 16 13.748 -3.199 -1.484 114 2HG2 ILE 16 2HG2 ILE 16 12.439 -2.248 -0.783 115 3HG2 ILE 16 3HG2 ILE 16 13.689 -2.928 0.259 116 1HD1 ILE 16 1HD1 ILE 16 10.831 -2.266 -0.012 117 2HD1 ILE 16 2HD1 ILE 16 9.332 -2.659 -0.855 118 3HD1 ILE 16 3HD1 ILE 16 9.740 -3.484 0.649 119 H LEU 17 H LEU 17 13.888 -6.362 1.033 120 HA LEU 17 HA LEU 17 16.551 -5.301 0.925 121 1HB LEU 17 1HB LEU 17 14.914 -7.153 2.544 122 2HB LEU 17 2HB LEU 17 16.647 -7.473 2.608 123 HG LEU 17 HG LEU 17 15.985 -5.885 4.373 124 1HD1 LEU 17 1HD1 LEU 17 18.158 -5.713 2.832 125 2HD1 LEU 17 2HD1 LEU 17 17.425 -4.169 2.395 126 3HD1 LEU 17 3HD1 LEU 17 17.820 -4.513 4.079 127 1HD2 LEU 17 1HD2 LEU 17 14.855 -4.419 1.996 128 2HD2 LEU 17 2HD2 LEU 17 14.096 -4.754 3.553 129 3HD2 LEU 17 3HD2 LEU 17 15.356 -3.525 3.433 130 H ALA 18 H ALA 18 15.182 -8.461 0.013 131 HA ALA 18 HA ALA 18 17.803 -9.560 -0.730 132 1HB ALA 18 1HB ALA 18 15.082 -10.648 -1.452 133 2HB ALA 18 2HB ALA 18 16.557 -11.542 -1.082 134 3HB ALA 18 3HB ALA 18 15.672 -10.726 0.208 135 H SER 19 H SER 19 16.143 -7.185 -2.134 136 HA SER 19 HA SER 19 16.087 -6.328 -4.337 137 1HB SER 19 1HB SER 19 18.473 -7.501 -3.987 138 2HB SER 19 2HB SER 19 17.843 -8.576 -5.232 139 HG SER 19 HG SER 19 18.881 -6.846 -6.211 140 H ASP 20 H ASP 20 13.867 -7.769 -3.820 141 HA ASP 20 HA ASP 20 12.149 -9.024 -4.854 142 1HB ASP 20 1HB ASP 20 12.949 -7.383 -6.644 143 2HB ASP 20 2HB ASP 20 13.900 -8.712 -7.306 144 H LYS 21 H LYS 21 13.661 -10.728 -3.471 145 HA LYS 21 HA LYS 21 14.032 -13.044 -5.320 146 1HB LYS 21 1HB LYS 21 15.953 -11.986 -3.225 147 2HB LYS 21 2HB LYS 21 16.137 -13.546 -4.029 148 1HG LYS 21 1HG LYS 21 15.887 -12.097 -6.224 149 2HG LYS 21 2HG LYS 21 16.409 -10.785 -5.167 150 1HD LYS 21 1HD LYS 21 18.321 -12.360 -4.452 151 2HD LYS 21 2HD LYS 21 17.891 -13.320 -5.868 152 1HE LYS 21 1HE LYS 21 18.142 -10.419 -6.395 153 2HE LYS 21 2HE LYS 21 19.655 -11.233 -5.949 154 1HZ LYS 21 1HZ LYS 21 18.889 -13.048 -7.534 155 2HZ LYS 21 2HZ LYS 21 17.788 -11.907 -8.142 156 3HZ LYS 21 3HZ LYS 21 19.455 -11.608 -8.234 157 HA PRO 22 HA PRO 22 11.773 -14.962 -2.071 158 1HB PRO 22 1HB PRO 22 12.755 -17.536 -3.172 159 2HB PRO 22 2HB PRO 22 11.089 -16.951 -2.992 160 1HG PRO 22 1HG PRO 22 12.304 -17.112 -5.377 161 2HG PRO 22 2HG PRO 22 11.109 -15.861 -4.995 162 1HD PRO 22 1HD PRO 22 14.064 -15.646 -5.212 163 2HD PRO 22 2HD PRO 22 12.805 -14.451 -5.592 164 H TYR 23 H TYR 23 15.077 -14.892 -2.352 165 HA TYR 23 HA TYR 23 15.423 -16.199 0.314 166 1HB TYR 23 1HB TYR 23 17.553 -17.200 -0.690 167 2HB TYR 23 2HB TYR 23 16.039 -17.888 -1.279 168 HD1 TYR 23 HD1 TYR 23 18.521 -15.188 -2.054 169 HD2 TYR 23 HD2 TYR 23 15.610 -17.954 -3.581 170 HE1 TYR 23 HE1 TYR 23 19.128 -14.548 -4.372 171 HE2 TYR 23 HE2 TYR 23 16.218 -17.314 -5.898 172 HH TYR 23 HH TYR 23 17.262 -15.193 -7.005 173 H ILE 24 H ILE 24 17.167 -15.281 1.533 174 HA ILE 24 HA ILE 24 18.360 -12.803 0.333 175 HB ILE 24 HB ILE 24 16.523 -12.979 2.344 176 1HG1 ILE 24 1HG1 ILE 24 17.253 -10.928 1.198 177 2HG1 ILE 24 2HG1 ILE 24 17.224 -10.688 2.945 178 1HG2 ILE 24 1HG2 ILE 24 18.388 -14.168 3.704 179 2HG2 ILE 24 2HG2 ILE 24 19.106 -12.562 3.839 180 3HG2 ILE 24 3HG2 ILE 24 17.493 -12.865 4.485 181 1HD1 ILE 24 1HD1 ILE 24 19.744 -11.490 2.763 182 2HD1 ILE 24 2HD1 ILE 24 19.571 -10.921 1.103 183 3HD1 ILE 24 3HD1 ILE 24 19.309 -9.810 2.447 184 H LEU 25 H LEU 25 20.582 -12.478 0.717 185 HA LEU 25 HA LEU 25 22.115 -14.854 1.540 186 1HB LEU 25 1HB LEU 25 22.646 -12.164 0.304 187 2HB LEU 25 2HB LEU 25 23.993 -13.108 0.939 188 HG LEU 25 HG LEU 25 23.541 -13.521 -1.498 189 1HD1 LEU 25 1HD1 LEU 25 24.305 -15.272 0.423 190 2HD1 LEU 25 2HD1 LEU 25 22.868 -16.097 -0.180 191 3HD1 LEU 25 3HD1 LEU 25 24.188 -15.707 -1.281 192 1HD2 LEU 25 1HD2 LEU 25 20.994 -13.314 -1.103 193 2HD2 LEU 25 2HD2 LEU 25 21.538 -14.580 -2.202 194 3HD2 LEU 25 3HD2 LEU 25 21.074 -14.987 -0.551 195 H ALA 26 H ALA 26 23.454 -14.949 3.372 196 HA ALA 26 HA ALA 26 22.702 -13.505 5.715 197 1HB ALA 26 1HB ALA 26 24.753 -15.435 4.819 198 2HB ALA 26 2HB ALA 26 23.772 -15.442 6.286 199 3HB ALA 26 3HB ALA 26 25.231 -14.455 6.206 200 H GLU 27 H GLU 27 25.518 -13.116 3.542 201 HA GLU 27 HA GLU 27 26.769 -10.977 4.954 202 1HB GLU 27 1HB GLU 27 27.925 -12.203 3.253 203 2HB GLU 27 2HB GLU 27 26.683 -11.844 2.055 204 1HG GLU 27 1HG GLU 27 27.286 -9.504 2.032 205 2HG GLU 27 2HG GLU 27 28.387 -9.725 3.392 206 H GLU 28 H GLU 28 24.183 -11.013 2.524 207 HA GLU 28 HA GLU 28 24.066 -8.197 2.020 208 1HB GLU 28 1HB GLU 28 22.701 -10.585 1.336 209 2HB GLU 28 2HB GLU 28 21.479 -9.492 1.987 210 1HG GLU 28 1HG GLU 28 21.557 -8.195 0.146 211 2HG GLU 28 2HG GLU 28 23.314 -8.074 0.241 212 H LEU 29 H LEU 29 22.313 -10.260 4.356 213 HA LEU 29 HA LEU 29 20.776 -8.222 5.615 214 1HB LEU 29 1HB LEU 29 22.026 -10.774 6.697 215 2HB LEU 29 2HB LEU 29 20.721 -9.884 7.482 216 HG LEU 29 HG LEU 29 20.637 -11.248 4.779 217 1HD1 LEU 29 1HD1 LEU 29 19.871 -11.974 7.476 218 2HD1 LEU 29 2HD1 LEU 29 18.457 -11.944 6.423 219 3HD1 LEU 29 3HD1 LEU 29 19.841 -12.956 6.011 220 1HD2 LEU 29 1HD2 LEU 29 18.976 -9.089 5.978 221 2HD2 LEU 29 2HD2 LEU 29 19.275 -9.467 4.282 222 3HD2 LEU 29 3HD2 LEU 29 18.100 -10.407 5.200 223 H ARG 30 H ARG 30 24.128 -9.268 6.049 224 HA ARG 30 HA ARG 30 24.679 -7.843 8.480 225 1HB ARG 30 1HB ARG 30 26.006 -9.431 6.482 226 2HB ARG 30 2HB ARG 30 26.989 -8.006 6.822 227 1HG ARG 30 1HG ARG 30 25.889 -9.150 9.263 228 2HG ARG 30 2HG ARG 30 26.856 -10.328 8.374 229 1HD ARG 30 1HD ARG 30 28.200 -7.770 8.339 230 2HD ARG 30 2HD ARG 30 27.827 -8.234 10.011 231 HE ARG 30 HE ARG 30 29.728 -9.574 8.303 232 1HH1 ARG 30 1HH1 ARG 30 27.243 -10.070 10.650 233 2HH1 ARG 30 2HH1 ARG 30 27.920 -11.550 11.242 234 1HH2 ARG 30 1HH2 ARG 30 30.617 -11.505 9.065 235 2HH2 ARG 30 2HH2 ARG 30 29.824 -12.363 10.344 236 H ARG 31 H ARG 31 24.774 -6.892 5.058 237 HA ARG 31 HA ARG 31 25.818 -4.206 5.794 238 1HB ARG 31 1HB ARG 31 26.279 -5.937 3.721 239 2HB ARG 31 2HB ARG 31 25.099 -4.840 3.000 240 1HG ARG 31 1HG ARG 31 26.671 -3.015 4.182 241 2HG ARG 31 2HG ARG 31 27.871 -4.286 3.944 242 1HD ARG 31 1HD ARG 31 27.244 -4.390 1.528 243 2HD ARG 31 2HD ARG 31 26.134 -3.031 1.790 244 HE ARG 31 HE ARG 31 28.617 -2.263 2.887 245 1HH1 ARG 31 1HH1 ARG 31 27.266 -3.156 -0.164 246 2HH1 ARG 31 2HH1 ARG 31 28.343 -2.156 -1.078 247 1HH2 ARG 31 1HH2 ARG 31 30.027 -0.955 1.703 248 2HH2 ARG 31 2HH2 ARG 31 29.906 -0.913 -0.024 249 H GLU 32 H GLU 32 22.875 -5.767 4.575 250 HA GLU 32 HA GLU 32 21.522 -3.272 3.913 251 1HB GLU 32 1HB GLU 32 20.997 -6.184 3.990 252 2HB GLU 32 2HB GLU 32 19.575 -5.168 4.227 253 1HG GLU 32 1HG GLU 32 19.845 -5.586 1.847 254 2HG GLU 32 2HG GLU 32 20.205 -3.890 2.170 255 H LEU 33 H LEU 33 21.938 -5.171 6.827 256 HA LEU 33 HA LEU 33 20.117 -3.274 8.258 257 1HB LEU 33 1HB LEU 33 20.139 -6.213 7.986 258 2HB LEU 33 2HB LEU 33 19.955 -5.637 9.639 259 HG LEU 33 HG LEU 33 18.322 -4.139 7.722 260 1HD1 LEU 33 1HD1 LEU 33 17.905 -7.119 8.082 261 2HD1 LEU 33 2HD1 LEU 33 16.657 -6.023 7.488 262 3HD1 LEU 33 3HD1 LEU 33 18.143 -6.251 6.564 263 1HD2 LEU 33 1HD2 LEU 33 18.119 -5.383 10.423 264 2HD2 LEU 33 2HD2 LEU 33 17.652 -3.768 9.893 265 3HD2 LEU 33 3HD2 LEU 33 16.611 -5.147 9.540 266 HA PRO 34 HA PRO 34 23.335 -2.511 11.108 267 1HB PRO 34 1HB PRO 34 21.848 -3.297 13.463 268 2HB PRO 34 2HB PRO 34 22.236 -1.660 12.906 269 1HG PRO 34 1HG PRO 34 19.758 -3.166 12.637 270 2HG PRO 34 2HG PRO 34 20.052 -1.433 12.444 271 1HD PRO 34 1HD PRO 34 19.460 -3.097 10.375 272 2HD PRO 34 2HD PRO 34 20.424 -1.614 10.198 273 HA PRO 35 HA PRO 35 25.337 -6.433 11.329 274 1HB PRO 35 1HB PRO 35 26.842 -6.002 13.592 275 2HB PRO 35 2HB PRO 35 27.294 -5.409 11.982 276 1HG PRO 35 1HG PRO 35 26.040 -3.960 14.249 277 2HG PRO 35 2HG PRO 35 27.241 -3.401 13.074 278 1HD PRO 35 1HD PRO 35 24.605 -2.748 12.944 279 2HD PRO 35 2HD PRO 35 25.659 -2.854 11.518 280 H ASP 36 H ASP 36 23.834 -4.952 14.191 281 HA ASP 36 HA ASP 36 23.672 -7.322 15.798 282 1HB ASP 36 1HB ASP 36 23.240 -4.711 16.179 283 2HB ASP 36 2HB ASP 36 21.569 -5.197 15.890 284 H GLN 37 H GLN 37 21.336 -5.847 13.517 285 HA GLN 37 HA GLN 37 19.280 -7.828 13.928 286 1HB GLN 37 1HB GLN 37 19.879 -5.976 11.598 287 2HB GLN 37 2HB GLN 37 18.330 -6.760 11.912 288 1HG GLN 37 1HG GLN 37 19.725 -4.718 13.664 289 2HG GLN 37 2HG GLN 37 18.211 -4.503 12.784 290 2HE2 GLN 37 2HE2 GLN 37 16.559 -6.455 13.391 291 1HE2 GLN 37 1HE2 GLN 37 16.412 -6.738 15.058 292 H ALA 38 H ALA 38 21.941 -7.525 11.582 293 HA ALA 38 HA ALA 38 21.241 -9.604 9.797 294 1HB ALA 38 1HB ALA 38 24.082 -9.507 10.369 295 2HB ALA 38 2HB ALA 38 23.401 -7.880 10.352 296 3HB ALA 38 3HB ALA 38 23.221 -8.926 8.944 297 H GLN 39 H GLN 39 23.054 -9.782 12.873 298 HA GLN 39 HA GLN 39 23.673 -12.574 12.744 299 1HB GLN 39 1HB GLN 39 24.551 -10.667 14.254 300 2HB GLN 39 2HB GLN 39 23.133 -10.984 15.256 301 1HG GLN 39 1HG GLN 39 23.817 -13.336 15.500 302 2HG GLN 39 2HG GLN 39 25.226 -13.038 14.483 303 2HE2 GLN 39 2HE2 GLN 39 25.149 -13.840 17.388 304 1HE2 GLN 39 1HE2 GLN 39 26.012 -12.631 18.209 305 H TYR 40 H TYR 40 20.937 -10.840 14.274 306 HA TYR 40 HA TYR 40 19.661 -13.176 15.353 307 1HB TYR 40 1HB TYR 40 19.362 -10.418 15.396 308 2HB TYR 40 2HB TYR 40 17.922 -10.958 14.533 309 HD1 TYR 40 HD1 TYR 40 16.875 -13.231 15.614 310 HD2 TYR 40 HD2 TYR 40 19.161 -10.257 17.705 311 HE1 TYR 40 HE1 TYR 40 15.859 -13.956 17.757 312 HE2 TYR 40 HE2 TYR 40 18.146 -10.981 19.848 313 HH TYR 40 HH TYR 40 15.794 -13.664 19.951 314 H CYS 41 H CYS 41 19.044 -11.329 12.344 315 HA CYS 41 HA CYS 41 16.945 -13.027 11.373 316 1HB CYS 41 1HB CYS 41 18.934 -11.314 9.850 317 2HB CYS 41 2HB CYS 41 17.327 -11.792 9.302 318 HG CYS 41 HG CYS 41 17.257 -10.261 11.948 319 H ILE 42 H ILE 42 20.462 -12.988 10.731 320 HA ILE 42 HA ILE 42 20.534 -15.050 8.775 321 HB ILE 42 HB ILE 42 22.461 -14.036 10.873 322 1HG1 ILE 42 1HG1 ILE 42 22.502 -13.770 7.855 323 2HG1 ILE 42 2HG1 ILE 42 21.718 -12.594 8.910 324 1HG2 ILE 42 1HG2 ILE 42 22.945 -16.054 8.662 325 2HG2 ILE 42 2HG2 ILE 42 24.223 -15.250 9.574 326 3HG2 ILE 42 3HG2 ILE 42 23.103 -16.336 10.396 327 1HD1 ILE 42 1HD1 ILE 42 24.105 -12.757 10.151 328 2HD1 ILE 42 2HD1 ILE 42 24.614 -13.141 8.506 329 3HD1 ILE 42 3HD1 ILE 42 23.793 -11.617 8.842 330 H LYS 43 H LYS 43 20.098 -15.221 12.242 331 HA LYS 43 HA LYS 43 20.840 -18.060 12.428 332 1HB LYS 43 1HB LYS 43 21.047 -16.137 14.166 333 2HB LYS 43 2HB LYS 43 19.334 -16.425 14.466 334 1HG LYS 43 1HG LYS 43 21.032 -18.850 14.393 335 2HG LYS 43 2HG LYS 43 21.326 -17.762 15.749 336 1HD LYS 43 1HD LYS 43 18.516 -17.927 15.464 337 2HD LYS 43 2HD LYS 43 19.126 -19.579 15.345 338 1HE LYS 43 1HE LYS 43 20.018 -17.686 17.539 339 2HE LYS 43 2HE LYS 43 18.636 -18.786 17.723 340 1HZ LYS 43 1HZ LYS 43 20.232 -20.544 16.810 341 2HZ LYS 43 2HZ LYS 43 21.470 -19.457 17.225 342 3HZ LYS 43 3HZ LYS 43 20.435 -20.060 18.426 343 H ARG 44 H ARG 44 17.879 -16.147 12.141 344 HA ARG 44 HA ARG 44 16.080 -18.349 12.769 345 1HB ARG 44 1HB ARG 44 15.763 -15.643 11.437 346 2HB ARG 44 2HB ARG 44 14.406 -16.689 11.859 347 1HG ARG 44 1HG ARG 44 16.476 -15.670 13.827 348 2HG ARG 44 2HG ARG 44 14.865 -14.983 13.617 349 1HD ARG 44 1HD ARG 44 14.617 -17.834 13.947 350 2HD ARG 44 2HD ARG 44 15.582 -17.168 15.281 351 HE ARG 44 HE ARG 44 13.387 -15.412 14.784 352 1HH1 ARG 44 1HH1 ARG 44 14.116 -18.573 15.973 353 2HH1 ARG 44 2HH1 ARG 44 12.752 -18.628 17.036 354 1HH2 ARG 44 1HH2 ARG 44 11.603 -15.475 16.167 355 2HH2 ARG 44 2HH2 ARG 44 11.331 -16.876 17.148 356 H MET 45 H MET 45 16.479 -16.544 9.697 357 HA MET 45 HA MET 45 15.152 -18.128 7.909 358 1HB MET 45 1HB MET 45 17.968 -17.081 7.499 359 2HB MET 45 2HB MET 45 16.727 -17.297 6.268 360 1HG MET 45 1HG MET 45 15.342 -15.704 7.888 361 2HG MET 45 2HG MET 45 16.959 -15.191 8.370 362 1HE MET 45 1HE MET 45 14.697 -13.442 7.106 363 2HE MET 45 2HE MET 45 16.259 -12.766 7.560 364 3HE MET 45 3HE MET 45 15.590 -12.427 5.966 365 HA PRO 46 HA PRO 46 17.253 -22.028 8.667 366 1HB PRO 46 1HB PRO 46 15.463 -23.402 6.954 367 2HB PRO 46 2HB PRO 46 15.356 -23.296 8.719 368 1HG PRO 46 1HG PRO 46 13.910 -21.772 6.645 369 2HG PRO 46 2HG PRO 46 13.404 -22.227 8.278 370 1HD PRO 46 1HD PRO 46 14.103 -19.709 7.644 371 2HD PRO 46 2HD PRO 46 14.424 -20.407 9.248 372 H ALA 47 H ALA 47 17.190 -23.899 6.457 373 HA ALA 47 HA ALA 47 19.073 -22.506 4.633 374 1HB ALA 47 1HB ALA 47 19.188 -24.868 5.926 375 2HB ALA 47 2HB ALA 47 18.437 -25.413 4.426 376 3HB ALA 47 3HB ALA 47 20.003 -24.603 4.385 377 H TYR 48 H TYR 48 18.309 -21.753 2.707 378 HA TYR 48 HA TYR 48 15.708 -21.988 1.698 379 1HB TYR 48 1HB TYR 48 17.262 -20.364 0.858 380 2HB TYR 48 2HB TYR 48 18.404 -21.616 0.371 381 HD1 TYR 48 HD1 TYR 48 18.556 -21.663 -1.957 382 HD2 TYR 48 HD2 TYR 48 14.701 -21.236 -0.109 383 HE1 TYR 48 HE1 TYR 48 17.474 -21.785 -4.185 384 HE2 TYR 48 HE2 TYR 48 13.620 -21.358 -2.338 385 HH TYR 48 HH TYR 48 14.309 -22.420 -4.658 386 H SER 49 H SER 49 18.540 -23.834 0.480 387 HA SER 49 HA SER 49 18.639 -25.967 -0.535 388 1HB SER 49 1HB SER 49 17.599 -27.515 0.794 389 2HB SER 49 2HB SER 49 17.197 -26.114 1.783 390 HG SER 49 HG SER 49 15.278 -25.953 0.394 391 H GLY 50 H GLY 50 17.523 -27.308 -2.204 392 1HA GLY 50 1HA GLY 50 15.968 -25.654 -4.020 393 2HA GLY 50 2HA GLY 50 15.003 -26.944 -3.300 394 HA PRO 51 HA PRO 51 17.036 -29.081 -6.652 395 1HB PRO 51 1HB PRO 51 17.365 -27.567 -8.943 396 2HB PRO 51 2HB PRO 51 15.808 -28.214 -8.391 397 1HG PRO 51 1HG PRO 51 16.923 -25.477 -8.126 398 2HG PRO 51 2HG PRO 51 15.253 -25.997 -8.399 399 1HD PRO 51 1HD PRO 51 16.165 -25.145 -5.991 400 2HD PRO 51 2HD PRO 51 14.851 -26.328 -6.169 401 H GLY 52 H GLY 52 18.835 -26.604 -5.409 402 1HA GLY 52 1HA GLY 52 21.221 -26.976 -7.102 403 2HA GLY 52 2HA GLY 52 21.334 -27.628 -5.466 404 H SER 53 H SER 53 19.861 -25.623 -4.107 405 HA SER 53 HA SER 53 20.467 -22.970 -4.639 406 1HB SER 53 1HB SER 53 20.270 -22.810 -2.086 407 2HB SER 53 2HB SER 53 18.924 -23.570 -2.928 408 HG SER 53 HG SER 53 20.762 -24.631 -1.182 409 H VAL 54 H VAL 54 21.926 -22.020 -2.436 410 HA VAL 54 HA VAL 54 24.654 -23.203 -2.802 411 HB VAL 54 HB VAL 54 25.472 -20.844 -2.970 412 1HG1 VAL 54 1HG1 VAL 54 24.149 -22.390 -4.910 413 2HG1 VAL 54 2HG1 VAL 54 23.532 -20.752 -5.126 414 3HG1 VAL 54 3HG1 VAL 54 25.266 -21.057 -5.205 415 1HG2 VAL 54 1HG2 VAL 54 22.847 -20.298 -2.041 416 2HG2 VAL 54 2HG2 VAL 54 24.105 -19.130 -2.445 417 3HG2 VAL 54 3HG2 VAL 54 22.948 -19.640 -3.674 418 HA PRO 55 HA PRO 55 24.869 -22.876 1.559 419 1HB PRO 55 1HB PRO 55 27.729 -22.163 1.349 420 2HB PRO 55 2HB PRO 55 26.979 -23.588 2.090 421 1HG PRO 55 1HG PRO 55 28.347 -23.713 -0.217 422 2HG PRO 55 2HG PRO 55 26.971 -24.768 0.141 423 1HD PRO 55 1HD PRO 55 27.114 -22.391 -1.642 424 2HD PRO 55 2HD PRO 55 26.169 -23.886 -1.815 425 H GLY 56 H GLY 56 23.638 -20.856 1.656 426 1HA GLY 56 1HA GLY 56 25.071 -18.307 1.454 427 2HA GLY 56 2HA GLY 56 24.642 -18.767 3.104 428 H ALA 57 H ALA 57 22.634 -19.677 0.384 429 HA ALA 57 HA ALA 57 20.833 -17.410 0.496 430 1HB ALA 57 1HB ALA 57 20.702 -20.229 -0.602 431 2HB ALA 57 2HB ALA 57 20.994 -18.737 -1.495 432 3HB ALA 57 3HB ALA 57 19.396 -19.066 -0.826 433 H LEU 58 H LEU 58 19.792 -17.035 2.444 434 HA LEU 58 HA LEU 58 18.654 -19.365 3.928 435 1HB LEU 58 1HB LEU 58 19.089 -16.459 4.693 436 2HB LEU 58 2HB LEU 58 18.571 -17.741 5.787 437 HG LEU 58 HG LEU 58 21.200 -17.661 4.274 438 1HD1 LEU 58 1HD1 LEU 58 20.599 -16.203 6.464 439 2HD1 LEU 58 2HD1 LEU 58 21.046 -17.720 7.245 440 3HD1 LEU 58 3HD1 LEU 58 22.198 -16.897 6.194 441 1HD2 LEU 58 1HD2 LEU 58 19.896 -19.695 6.086 442 2HD2 LEU 58 2HD2 LEU 58 20.637 -19.947 4.505 443 3HD2 LEU 58 3HD2 LEU 58 21.649 -19.620 5.912 444 H ASP 59 H ASP 59 16.414 -19.224 4.654 445 HA ASP 59 HA ASP 59 14.703 -17.675 2.770 446 1HB ASP 59 1HB ASP 59 14.517 -20.155 4.421 447 2HB ASP 59 2HB ASP 59 13.014 -19.295 4.086 448 H TYR 60 H TYR 60 14.173 -15.670 3.574 449 HA TYR 60 HA TYR 60 14.047 -15.065 6.419 450 1HB TYR 60 1HB TYR 60 13.343 -12.859 5.530 451 2HB TYR 60 2HB TYR 60 14.734 -13.480 4.641 452 HD1 TYR 60 HD1 TYR 60 14.615 -13.920 2.315 453 HD2 TYR 60 HD2 TYR 60 11.021 -13.175 4.547 454 HE1 TYR 60 HE1 TYR 60 13.326 -13.797 0.199 455 HE2 TYR 60 HE2 TYR 60 9.732 -13.053 2.431 456 HH TYR 60 HH TYR 60 11.346 -13.454 -0.728 457 H ALA 61 H ALA 61 11.735 -15.965 3.912 458 HA ALA 61 HA ALA 61 9.308 -15.097 5.068 459 1HB ALA 61 1HB ALA 61 9.020 -15.982 2.964 460 2HB ALA 61 2HB ALA 61 8.629 -17.437 3.881 461 3HB ALA 61 3HB ALA 61 10.247 -17.224 3.213 462 H ALA 62 H ALA 62 11.169 -18.081 5.678 463 HA ALA 62 HA ALA 62 9.279 -19.269 7.480 464 1HB ALA 62 1HB ALA 62 12.060 -19.876 8.052 465 2HB ALA 62 2HB ALA 62 11.771 -19.841 6.313 466 3HB ALA 62 3HB ALA 62 10.827 -20.916 7.343 467 H PHE 63 H PHE 63 11.933 -17.014 7.920 468 HA PHE 63 HA PHE 63 11.906 -17.040 10.817 469 1HB PHE 63 1HB PHE 63 13.873 -16.349 9.639 470 2HB PHE 63 2HB PHE 63 12.966 -15.185 8.674 471 HD1 PHE 63 HD1 PHE 63 14.494 -13.358 9.373 472 HD2 PHE 63 HD2 PHE 63 12.175 -15.581 12.225 473 HE1 PHE 63 HE1 PHE 63 14.918 -11.610 11.080 474 HE2 PHE 63 HE2 PHE 63 12.598 -13.832 13.931 475 HZ PHE 63 HZ PHE 63 13.970 -11.848 13.359 476 H SER 64 H SER 64 10.324 -15.055 8.326 477 HA SER 64 HA SER 64 9.285 -13.019 10.046 478 1HB SER 64 1HB SER 64 8.208 -12.352 8.102 479 2HB SER 64 2HB SER 64 9.427 -13.419 7.411 480 HG SER 64 HG SER 64 6.935 -13.644 7.018 481 H SER 65 H SER 65 7.739 -16.018 8.822 482 HA SER 65 HA SER 65 5.261 -15.720 10.188 483 1HB SER 65 1HB SER 65 6.881 -18.098 9.249 484 2HB SER 65 2HB SER 65 5.246 -18.258 9.883 485 HG SER 65 HG SER 65 5.401 -18.004 7.558 486 H ALA 66 H ALA 66 8.222 -17.479 11.180 487 HA ALA 66 HA ALA 66 7.318 -18.474 13.666 488 1HB ALA 66 1HB ALA 66 9.709 -18.611 14.166 489 2HB ALA 66 2HB ALA 66 9.453 -18.989 12.462 490 3HB ALA 66 3HB ALA 66 10.061 -17.401 12.931 491 H LEU 67 H LEU 67 8.595 -15.267 12.825 492 HA LEU 67 HA LEU 67 8.974 -14.170 15.396 493 1HB LEU 67 1HB LEU 67 8.919 -13.355 12.710 494 2HB LEU 67 2HB LEU 67 7.730 -12.329 13.512 495 HG LEU 67 HG LEU 67 10.341 -12.749 14.896 496 1HD1 LEU 67 1HD1 LEU 67 10.595 -12.197 12.308 497 2HD1 LEU 67 2HD1 LEU 67 10.165 -10.574 12.845 498 3HD1 LEU 67 3HD1 LEU 67 11.590 -11.374 13.510 499 1HD2 LEU 67 1HD2 LEU 67 8.175 -11.309 15.513 500 2HD2 LEU 67 2HD2 LEU 67 9.796 -10.745 15.917 501 3HD2 LEU 67 3HD2 LEU 67 8.977 -10.120 14.486 502 H TYR 68 H TYR 68 5.981 -14.694 13.577 503 HA TYR 68 HA TYR 68 4.342 -13.197 15.503 504 1HB TYR 68 1HB TYR 68 3.321 -15.102 13.406 505 2HB TYR 68 2HB TYR 68 2.638 -13.568 13.933 506 HD1 TYR 68 HD1 TYR 68 4.971 -11.765 13.817 507 HD2 TYR 68 HD2 TYR 68 3.717 -14.848 11.102 508 HE1 TYR 68 HE1 TYR 68 6.146 -10.610 11.963 509 HE2 TYR 68 HE2 TYR 68 4.892 -13.694 9.248 510 HH TYR 68 HH TYR 68 6.035 -11.893 8.638 511 H GLY 69 H GLY 69 5.186 -16.562 14.817 512 1HA GLY 69 1HA GLY 69 4.421 -18.561 15.837 513 2HA GLY 69 2HA GLY 69 3.181 -17.624 16.670 514 H GLU 70 H GLU 70 4.041 -19.177 18.447 515 HA GLU 70 HA GLU 70 6.272 -17.792 19.900 516 1HB GLU 70 1HB GLU 70 5.052 -18.509 21.928 517 2HB GLU 70 2HB GLU 70 3.999 -17.573 20.866 518 1HG GLU 70 1HG GLU 70 2.615 -19.326 20.536 519 2HG GLU 70 2HG GLU 70 3.961 -20.423 20.225 520 H SER 71 H SER 71 5.770 -20.471 18.108 521 HA SER 71 HA SER 71 7.896 -21.978 19.491 522 1HB SER 71 1HB SER 71 4.998 -22.761 19.379 523 2HB SER 71 2HB SER 71 6.228 -24.022 19.353 524 HG SER 71 HG SER 71 5.587 -23.495 21.483 525 H ASP 72 H ASP 72 9.203 -22.258 17.706 526 HA ASP 72 HA ASP 72 8.002 -22.804 15.052 527 1HB ASP 72 1HB ASP 72 10.383 -22.519 14.344 528 2HB ASP 72 2HB ASP 72 9.798 -21.154 15.294 529 H LEU 73 H LEU 73 8.145 -24.807 14.036 530 HA LEU 73 HA LEU 73 9.977 -26.891 14.975 531 1HB LEU 73 1HB LEU 73 8.109 -28.392 15.691 532 2HB LEU 73 2HB LEU 73 8.231 -26.946 16.694 533 HG LEU 73 HG LEU 73 6.542 -26.465 14.382 534 1HD1 LEU 73 1HD1 LEU 73 6.320 -29.072 15.513 535 2HD1 LEU 73 2HD1 LEU 73 4.922 -28.140 16.052 536 3HD1 LEU 73 3HD1 LEU 73 5.257 -28.310 14.329 537 1HD2 LEU 73 1HD2 LEU 73 6.275 -26.341 17.391 538 2HD2 LEU 73 2HD2 LEU 73 6.418 -25.002 16.253 539 3HD2 LEU 73 3HD2 LEU 73 4.929 -25.943 16.323 540 H GLY 7 H GLY 7 10.121 2.691 -5.382 541 1HA GLY 7 1HA GLY 7 12.721 2.896 -4.518 542 2HA GLY 7 2HA GLY 7 11.785 1.420 -4.279 543 H LYS 8 H LYS 8 10.377 1.416 -2.269 544 HA LYS 8 HA LYS 8 11.293 3.229 -0.104 545 1HB LYS 8 1HB LYS 8 9.395 2.173 1.097 546 2HB LYS 8 2HB LYS 8 8.893 2.779 -0.481 547 1HG LYS 8 1HG LYS 8 8.624 0.668 -1.364 548 2HG LYS 8 2HG LYS 8 9.881 -0.032 -0.344 549 1HD LYS 8 1HD LYS 8 8.399 -0.596 1.266 550 2HD LYS 8 2HD LYS 8 7.627 0.990 1.213 551 1HE LYS 8 1HE LYS 8 6.190 0.350 -0.582 552 2HE LYS 8 2HE LYS 8 7.148 -1.105 -0.926 553 1HZ LYS 8 1HZ LYS 8 6.674 -1.670 1.519 554 2HZ LYS 8 2HZ LYS 8 5.402 -0.549 1.388 555 3HZ LYS 8 3HZ LYS 8 5.432 -1.916 0.385 556 H LYS 9 H LYS 9 13.385 1.584 -0.866 557 HA LYS 9 HA LYS 9 13.539 -0.961 0.433 558 1HB LYS 9 1HB LYS 9 15.033 0.284 -1.337 559 2HB LYS 9 2HB LYS 9 15.882 0.895 0.083 560 1HG LYS 9 1HG LYS 9 15.728 -1.721 0.748 561 2HG LYS 9 2HG LYS 9 15.766 -1.865 -1.010 562 1HD LYS 9 1HD LYS 9 17.993 -1.551 -0.943 563 2HD LYS 9 2HD LYS 9 17.706 0.081 -0.339 564 1HE LYS 9 1HE LYS 9 17.312 -1.648 1.874 565 2HE LYS 9 2HE LYS 9 18.808 -2.177 1.079 566 1HZ LYS 9 1HZ LYS 9 19.413 0.229 0.927 567 2HZ LYS 9 2HZ LYS 9 18.106 0.570 1.957 568 3HZ LYS 9 3HZ LYS 9 19.390 -0.391 2.509 569 H ALA 10 H ALA 10 14.667 2.271 1.507 570 HA ALA 10 HA ALA 10 15.720 1.536 4.023 571 1HB ALA 10 1HB ALA 10 14.838 3.990 4.524 572 2HB ALA 10 2HB ALA 10 16.120 3.731 3.342 573 3HB ALA 10 3HB ALA 10 14.457 3.970 2.802 574 H GLU 11 H GLU 11 12.364 2.279 3.091 575 HA GLU 11 HA GLU 11 11.221 2.220 5.714 576 1HB GLU 11 1HB GLU 11 10.436 2.553 3.024 577 2HB GLU 11 2HB GLU 11 9.473 1.206 3.635 578 1HG GLU 11 1HG GLU 11 9.690 3.989 4.811 579 2HG GLU 11 2HG GLU 11 8.255 3.225 4.127 580 H ALA 12 H ALA 12 11.783 -0.349 3.305 581 HA ALA 12 HA ALA 12 10.416 -2.458 4.663 582 1HB ALA 12 1HB ALA 12 11.034 -2.816 2.419 583 2HB ALA 12 2HB ALA 12 12.677 -2.231 2.683 584 3HB ALA 12 3HB ALA 12 12.194 -3.812 3.296 585 H VAL 13 H VAL 13 13.806 -1.342 4.851 586 HA VAL 13 HA VAL 13 14.787 -3.346 6.620 587 HB VAL 13 HB VAL 13 15.486 -0.405 6.317 588 1HG1 VAL 13 1HG1 VAL 13 16.758 -2.692 7.777 589 2HG1 VAL 13 2HG1 VAL 13 17.802 -1.497 7.008 590 3HG1 VAL 13 3HG1 VAL 13 16.646 -0.994 8.240 591 1HG2 VAL 13 1HG2 VAL 13 16.548 -2.912 4.975 592 2HG2 VAL 13 2HG2 VAL 13 15.619 -1.628 4.202 593 3HG2 VAL 13 3HG2 VAL 13 17.248 -1.304 4.792 594 H ALA 14 H ALA 14 13.157 -0.243 7.268 595 HA ALA 14 HA ALA 14 13.412 -0.206 10.101 596 1HB ALA 14 1HB ALA 14 12.650 1.699 8.811 597 2HB ALA 14 2HB ALA 14 11.275 0.786 8.190 598 3HB ALA 14 3HB ALA 14 11.338 1.236 9.894 599 H THR 15 H THR 15 11.059 -1.821 7.986 600 HA THR 15 HA THR 15 9.268 -2.705 10.062 601 HB THR 15 HB THR 15 9.888 -3.963 7.371 602 HG1 THR 15 HG1 THR 15 8.101 -2.505 6.763 603 1HG2 THR 15 1HG2 THR 15 7.495 -3.964 9.214 604 2HG2 THR 15 2HG2 THR 15 7.375 -4.411 7.512 605 3HG2 THR 15 3HG2 THR 15 8.394 -5.352 8.601 606 H VAL 16 H VAL 16 12.061 -4.243 8.453 607 HA VAL 16 HA VAL 16 11.875 -6.778 9.776 608 HB VAL 16 HB VAL 16 14.211 -5.222 8.622 609 1HG1 VAL 16 1HG1 VAL 16 14.799 -7.143 10.183 610 2HG1 VAL 16 2HG1 VAL 16 13.986 -8.212 9.039 611 3HG1 VAL 16 3HG1 VAL 16 15.409 -7.299 8.535 612 1HG2 VAL 16 1HG2 VAL 16 11.990 -6.823 7.496 613 2HG2 VAL 16 2HG2 VAL 16 12.966 -5.564 6.738 614 3HG2 VAL 16 3HG2 VAL 16 13.587 -7.210 6.854 615 H VAL 17 H VAL 17 13.613 -3.777 10.602 616 HA VAL 17 HA VAL 17 15.050 -4.776 12.861 617 HB VAL 17 HB VAL 17 13.973 -2.048 12.091 618 1HG1 VAL 17 1HG1 VAL 17 15.342 -2.969 14.522 619 2HG1 VAL 17 2HG1 VAL 17 16.165 -1.634 13.717 620 3HG1 VAL 17 3HG1 VAL 17 14.483 -1.458 14.220 621 1HG2 VAL 17 1HG2 VAL 17 16.484 -3.610 11.595 622 2HG2 VAL 17 2HG2 VAL 17 15.575 -2.575 10.493 623 3HG2 VAL 17 3HG2 VAL 17 16.599 -1.855 11.736 624 H ALA 18 H ALA 18 11.925 -3.019 12.720 625 HA ALA 18 HA ALA 18 11.380 -3.133 15.528 626 1HB ALA 18 1HB ALA 18 10.223 -2.184 13.115 627 2HB ALA 18 2HB ALA 18 8.997 -3.172 13.909 628 3HB ALA 18 3HB ALA 18 9.721 -1.809 14.763 629 H ALA 19 H ALA 19 10.498 -5.331 12.858 630 HA ALA 19 HA ALA 19 8.799 -7.052 14.413 631 1HB ALA 19 1HB ALA 19 8.740 -6.971 11.989 632 2HB ALA 19 2HB ALA 19 10.437 -7.445 11.892 633 3HB ALA 19 3HB ALA 19 9.232 -8.596 12.468 634 H VAL 20 H VAL 20 12.278 -7.202 13.615 635 HA VAL 20 HA VAL 20 12.770 -9.750 14.852 636 HB VAL 20 HB VAL 20 14.565 -7.360 14.322 637 1HG1 VAL 20 1HG1 VAL 20 15.140 -9.651 15.781 638 2HG1 VAL 20 2HG1 VAL 20 15.716 -10.048 14.162 639 3HG1 VAL 20 3HG1 VAL 20 16.326 -8.615 14.988 640 1HG2 VAL 20 1HG2 VAL 20 13.120 -8.778 12.491 641 2HG2 VAL 20 2HG2 VAL 20 14.681 -8.036 12.141 642 3HG2 VAL 20 3HG2 VAL 20 14.592 -9.746 12.565 643 H ASP 21 H ASP 21 12.962 -6.405 16.069 644 HA ASP 21 HA ASP 21 14.141 -7.012 18.610 645 1HB ASP 21 1HB ASP 21 13.227 -4.801 17.134 646 2HB ASP 21 2HB ASP 21 12.282 -4.778 18.623 647 H GLN 22 H GLN 22 10.789 -7.032 17.469 648 HA GLN 22 HA GLN 22 9.404 -7.106 19.930 649 1HB GLN 22 1HB GLN 22 8.815 -7.234 17.272 650 2HB GLN 22 2HB GLN 22 8.477 -8.898 17.758 651 1HG GLN 22 1HG GLN 22 6.733 -8.290 19.133 652 2HG GLN 22 2HG GLN 22 7.446 -6.723 19.520 653 2HE2 GLN 22 2HE2 GLN 22 6.805 -4.923 18.256 654 1HE2 GLN 22 1HE2 GLN 22 5.751 -5.032 16.930 655 H ALA 23 H ALA 23 10.779 -9.827 18.051 656 HA ALA 23 HA ALA 23 9.938 -11.897 19.854 657 1HB ALA 23 1HB ALA 23 10.742 -12.040 17.439 658 2HB ALA 23 2HB ALA 23 11.411 -13.257 18.526 659 3HB ALA 23 3HB ALA 23 12.382 -11.858 18.063 660 H ARG 24 H ARG 24 12.908 -9.936 19.674 661 HA ARG 24 HA ARG 24 14.369 -11.358 21.705 662 1HB ARG 24 1HB ARG 24 15.277 -9.778 19.986 663 2HB ARG 24 2HB ARG 24 14.510 -8.448 20.853 664 1HG ARG 24 1HG ARG 24 15.812 -9.064 22.887 665 2HG ARG 24 2HG ARG 24 16.632 -10.314 21.952 666 1HD ARG 24 1HD ARG 24 17.968 -8.800 20.879 667 2HD ARG 24 2HD ARG 24 16.654 -7.617 20.718 668 HE ARG 24 HE ARG 24 18.512 -7.804 22.966 669 1HH1 ARG 24 1HH1 ARG 24 15.364 -6.895 21.873 670 2HH1 ARG 24 2HH1 ARG 24 15.119 -5.741 23.141 671 1HH2 ARG 24 1HH2 ARG 24 18.200 -6.304 24.623 672 2HH2 ARG 24 2HH2 ARG 24 16.720 -5.408 24.696 673 H VAL 25 H VAL 25 12.404 -8.368 21.842 674 HA VAL 25 HA VAL 25 12.711 -7.914 24.649 675 HB VAL 25 HB VAL 25 10.540 -7.189 22.661 676 1HG1 VAL 25 1HG1 VAL 25 10.484 -6.952 25.461 677 2HG1 VAL 25 2HG1 VAL 25 10.921 -5.348 24.873 678 3HG1 VAL 25 3HG1 VAL 25 9.437 -6.121 24.312 679 1HG2 VAL 25 1HG2 VAL 25 13.227 -6.143 23.344 680 2HG2 VAL 25 2HG2 VAL 25 12.317 -6.008 21.840 681 3HG2 VAL 25 3HG2 VAL 25 11.963 -4.923 23.185 682 H ARG 26 H ARG 26 10.758 -10.152 22.866 683 HA ARG 26 HA ARG 26 8.879 -10.628 25.079 684 1HB ARG 26 1HB ARG 26 8.067 -10.692 22.804 685 2HB ARG 26 2HB ARG 26 9.319 -11.850 22.352 686 1HG ARG 26 1HG ARG 26 8.276 -13.614 23.443 687 2HG ARG 26 2HG ARG 26 7.457 -12.555 24.591 688 1HD ARG 26 1HD ARG 26 5.937 -11.768 22.822 689 2HD ARG 26 2HD ARG 26 6.774 -12.790 21.638 690 HE ARG 26 HE ARG 26 5.726 -14.687 22.597 691 1HH1 ARG 26 1HH1 ARG 26 5.504 -11.904 24.634 692 2HH1 ARG 26 2HH1 ARG 26 4.428 -12.659 25.761 693 1HH2 ARG 26 1HH2 ARG 26 4.326 -15.677 24.063 694 2HH2 ARG 26 2HH2 ARG 26 3.761 -14.791 25.439 695 H GLU 27 H GLU 27 10.293 -13.166 23.230 696 HA GLU 27 HA GLU 27 11.147 -14.525 25.741 697 1HB GLU 27 1HB GLU 27 11.059 -16.537 24.329 698 2HB GLU 27 2HB GLU 27 9.563 -15.616 24.157 699 1HG GLU 27 1HG GLU 27 11.224 -14.510 22.223 700 2HG GLU 27 2HG GLU 27 11.603 -16.232 22.153 701 HA PRO 28 HA PRO 28 15.283 -13.795 24.326 702 1HB PRO 28 1HB PRO 28 16.075 -15.149 26.839 703 2HB PRO 28 2HB PRO 28 16.431 -13.499 26.290 704 1HG PRO 28 1HG PRO 28 14.680 -14.016 28.255 705 2HG PRO 28 2HG PRO 28 14.493 -12.652 27.143 706 1HD PRO 28 1HD PRO 28 13.028 -15.233 27.228 707 2HD PRO 28 2HD PRO 28 12.464 -13.622 26.738 708 H ARG 29 H ARG 29 15.336 -15.390 22.623 709 HA ARG 29 HA ARG 29 15.913 -18.205 23.369 710 1HB ARG 29 1HB ARG 29 14.469 -16.938 21.369 711 2HB ARG 29 2HB ARG 29 15.942 -17.436 20.536 712 1HG ARG 29 1HG ARG 29 15.160 -19.598 22.208 713 2HG ARG 29 2HG ARG 29 13.719 -19.062 21.344 714 1HD ARG 29 1HD ARG 29 14.472 -20.018 19.436 715 2HD ARG 29 2HD ARG 29 15.985 -19.095 19.539 716 HE ARG 29 HE ARG 29 15.867 -21.300 21.449 717 1HH1 ARG 29 1HH1 ARG 29 16.609 -20.303 18.226 718 2HH1 ARG 29 2HH1 ARG 29 17.715 -21.604 17.940 719 1HH2 ARG 29 1HH2 ARG 29 17.308 -23.002 21.084 720 2HH2 ARG 29 2HH2 ARG 29 18.108 -23.131 19.553 No H/Q in entry = 720 Start of MODEL 29 1 H MET 1 H MET 1 4.211 -20.289 -0.140 2 HA MET 1 HA MET 1 5.232 -18.181 -0.484 3 1HB MET 1 1HB MET 1 3.324 -18.442 -2.191 4 2HB MET 1 2HB MET 1 2.399 -17.357 -1.153 5 1HG MET 1 1HG MET 1 3.435 -15.595 -2.088 6 2HG MET 1 2HG MET 1 4.980 -16.204 -1.498 7 1HE MET 1 1HE MET 1 2.204 -16.951 -3.668 8 2HE MET 1 2HE MET 1 2.769 -16.654 -5.318 9 3HE MET 1 3HE MET 1 2.870 -18.270 -4.626 10 H ALA 2 H ALA 2 1.976 -17.492 0.870 11 HA ALA 2 HA ALA 2 3.327 -15.846 2.986 12 1HB ALA 2 1HB ALA 2 2.417 -14.305 1.425 13 2HB ALA 2 2HB ALA 2 0.968 -15.279 1.186 14 3HB ALA 2 3HB ALA 2 1.199 -14.398 2.697 15 H ASP 3 H ASP 3 1.143 -15.202 4.504 16 HA ASP 3 HA ASP 3 -0.383 -17.699 5.041 17 1HB ASP 3 1HB ASP 3 1.955 -16.747 6.466 18 2HB ASP 3 2HB ASP 3 0.559 -16.793 7.543 19 H THR 4 H THR 4 0.325 -14.559 6.642 20 HA THR 4 HA THR 4 -2.487 -13.715 6.295 21 HB THR 4 HB THR 4 -2.585 -15.168 8.248 22 HG1 THR 4 HG1 THR 4 -3.730 -13.198 8.367 23 1HG2 THR 4 1HG2 THR 4 -0.059 -14.876 8.673 24 2HG2 THR 4 2HG2 THR 4 -0.509 -13.432 9.582 25 3HG2 THR 4 3HG2 THR 4 -1.105 -15.014 10.087 26 H ASP 5 H ASP 5 -2.655 -11.565 7.856 27 HA ASP 5 HA ASP 5 -0.931 -9.610 6.710 28 1HB ASP 5 1HB ASP 5 -1.978 -8.148 8.411 29 2HB ASP 5 2HB ASP 5 -3.176 -9.212 7.671 30 H THR 6 H THR 6 0.344 -8.060 8.332 31 HA THR 6 HA THR 6 2.171 -7.784 9.814 32 HB THR 6 HB THR 6 1.552 -10.532 10.875 33 HG1 THR 6 HG1 THR 6 -0.230 -9.759 11.871 34 1HG2 THR 6 1HG2 THR 6 2.520 -7.900 11.985 35 2HG2 THR 6 2HG2 THR 6 1.894 -9.167 13.040 36 3HG2 THR 6 3HG2 THR 6 3.314 -9.474 12.041 37 H ALA 7 H ALA 7 1.978 -11.267 8.964 38 HA ALA 7 HA ALA 7 4.820 -11.614 8.696 39 1HB ALA 7 1HB ALA 7 2.375 -13.104 7.702 40 2HB ALA 7 2HB ALA 7 4.015 -13.715 7.484 41 3HB ALA 7 3HB ALA 7 3.367 -13.486 9.109 42 H GLU 8 H GLU 8 2.214 -11.066 6.313 43 HA GLU 8 HA GLU 8 3.740 -11.199 3.938 44 1HB GLU 8 1HB GLU 8 1.155 -10.682 4.667 45 2HB GLU 8 2HB GLU 8 1.675 -9.084 4.130 46 1HG GLU 8 1HG GLU 8 1.923 -9.745 1.950 47 2HG GLU 8 2HG GLU 8 2.444 -11.371 2.394 48 H GLN 9 H GLN 9 3.308 -8.531 6.246 49 HA GLN 9 HA GLN 9 4.571 -6.467 4.722 50 1HB GLN 9 1HB GLN 9 3.296 -6.719 7.126 51 2HB GLN 9 2HB GLN 9 4.966 -6.511 7.657 52 1HG GLN 9 1HG GLN 9 5.147 -4.388 6.712 53 2HG GLN 9 2HG GLN 9 3.864 -4.690 5.540 54 2HE2 GLN 9 2HE2 GLN 9 3.714 -2.346 7.072 55 1HE2 GLN 9 1HE2 GLN 9 2.458 -2.482 8.204 56 H VAL 10 H VAL 10 5.932 -8.701 7.176 57 HA VAL 10 HA VAL 10 8.623 -7.777 7.058 58 HB VAL 10 HB VAL 10 7.387 -10.491 7.621 59 1HG1 VAL 10 1HG1 VAL 10 10.206 -9.525 7.666 60 2HG1 VAL 10 2HG1 VAL 10 9.683 -10.526 9.020 61 3HG1 VAL 10 3HG1 VAL 10 9.577 -11.146 7.372 62 1HG2 VAL 10 1HG2 VAL 10 6.896 -8.317 9.018 63 2HG2 VAL 10 2HG2 VAL 10 7.291 -9.815 9.862 64 3HG2 VAL 10 3HG2 VAL 10 8.525 -8.574 9.642 65 H ILE 11 H ILE 11 7.009 -10.404 5.244 66 HA ILE 11 HA ILE 11 9.220 -11.287 3.711 67 HB ILE 11 HB ILE 11 6.262 -11.076 3.048 68 1HG1 ILE 11 1HG1 ILE 11 7.906 -13.357 4.194 69 2HG1 ILE 11 2HG1 ILE 11 6.819 -12.329 5.128 70 1HG2 ILE 11 1HG2 ILE 11 8.477 -11.894 1.433 71 2HG2 ILE 11 2HG2 ILE 11 7.541 -13.331 1.848 72 3HG2 ILE 11 3HG2 ILE 11 6.758 -11.969 1.045 73 1HD1 ILE 11 1HD1 ILE 11 5.532 -13.421 2.743 74 2HD1 ILE 11 2HD1 ILE 11 6.112 -14.684 3.828 75 3HD1 ILE 11 3HD1 ILE 11 4.993 -13.457 4.422 76 H ALA 12 H ALA 12 6.776 -8.783 2.934 77 HA ALA 12 HA ALA 12 7.814 -7.993 0.409 78 1HB ALA 12 1HB ALA 12 5.648 -7.274 1.240 79 2HB ALA 12 2HB ALA 12 6.392 -6.489 2.631 80 3HB ALA 12 3HB ALA 12 6.634 -5.829 1.014 81 H SER 13 H SER 13 8.653 -6.977 3.712 82 HA SER 13 HA SER 13 10.560 -4.948 2.942 83 1HB SER 13 1HB SER 13 10.711 -6.558 5.477 84 2HB SER 13 2HB SER 13 10.932 -4.825 5.253 85 HG SER 13 HG SER 13 8.828 -5.816 6.157 86 H PHE 14 H PHE 14 10.783 -8.421 3.697 87 HA PHE 14 HA PHE 14 13.669 -8.589 3.554 88 1HB PHE 14 1HB PHE 14 11.296 -10.382 3.623 89 2HB PHE 14 2HB PHE 14 12.776 -11.084 2.969 90 HD1 PHE 14 HD1 PHE 14 10.974 -10.411 5.934 91 HD2 PHE 14 HD2 PHE 14 14.971 -10.571 4.369 92 HE1 PHE 14 HE1 PHE 14 11.862 -10.684 8.232 93 HE2 PHE 14 HE2 PHE 14 15.860 -10.842 6.668 94 HZ PHE 14 HZ PHE 14 14.306 -10.899 8.600 95 H ARG 15 H ARG 15 11.068 -9.245 1.186 96 HA ARG 15 HA ARG 15 12.624 -10.144 -0.983 97 1HB ARG 15 1HB ARG 15 10.153 -10.071 -0.870 98 2HB ARG 15 2HB ARG 15 10.202 -8.309 -0.944 99 1HG ARG 15 1HG ARG 15 10.739 -8.276 -3.178 100 2HG ARG 15 2HG ARG 15 11.644 -9.788 -3.090 101 1HD ARG 15 1HD ARG 15 9.731 -11.104 -3.326 102 2HD ARG 15 2HD ARG 15 8.663 -9.843 -2.677 103 HE ARG 15 HE ARG 15 9.492 -10.079 -5.447 104 1HH1 ARG 15 1HH1 ARG 15 8.727 -7.894 -2.884 105 2HH1 ARG 15 2HH1 ARG 15 8.234 -6.619 -3.946 106 1HH2 ARG 15 1HH2 ARG 15 8.853 -8.423 -6.840 107 2HH2 ARG 15 2HH2 ARG 15 8.302 -6.919 -6.182 108 H ILE 16 H ILE 16 11.910 -6.815 0.065 109 HA ILE 16 HA ILE 16 13.206 -5.458 -2.096 110 HB ILE 16 HB ILE 16 12.652 -4.763 0.803 111 1HG1 ILE 16 1HG1 ILE 16 11.269 -4.082 -1.812 112 2HG1 ILE 16 2HG1 ILE 16 10.665 -5.178 -0.571 113 1HG2 ILE 16 1HG2 ILE 16 13.842 -3.156 -1.444 114 2HG2 ILE 16 2HG2 ILE 16 12.841 -2.360 -0.229 115 3HG2 ILE 16 3HG2 ILE 16 14.311 -3.205 0.255 116 1HD1 ILE 16 1HD1 ILE 16 11.323 -2.296 0.046 117 2HD1 ILE 16 2HD1 ILE 16 9.735 -2.776 -0.554 118 3HD1 ILE 16 3HD1 ILE 16 10.329 -3.414 0.979 119 H LEU 17 H LEU 17 14.421 -6.508 1.107 120 HA LEU 17 HA LEU 17 17.064 -5.430 0.849 121 1HB LEU 17 1HB LEU 17 16.060 -7.897 2.313 122 2HB LEU 17 2HB LEU 17 17.552 -7.026 2.669 123 HG LEU 17 HG LEU 17 14.790 -5.789 2.786 124 1HD1 LEU 17 1HD1 LEU 17 16.438 -7.261 4.785 125 2HD1 LEU 17 2HD1 LEU 17 15.616 -5.803 5.343 126 3HD1 LEU 17 3HD1 LEU 17 14.684 -7.131 4.651 127 1HD2 LEU 17 1HD2 LEU 17 17.518 -4.765 2.893 128 2HD2 LEU 17 2HD2 LEU 17 15.998 -3.877 2.774 129 3HD2 LEU 17 3HD2 LEU 17 16.615 -4.362 4.354 130 H ALA 18 H ALA 18 15.681 -8.598 -0.018 131 HA ALA 18 HA ALA 18 18.205 -9.680 -0.997 132 1HB ALA 18 1HB ALA 18 15.512 -10.677 -1.853 133 2HB ALA 18 2HB ALA 18 16.921 -11.590 -1.315 134 3HB ALA 18 3HB ALA 18 15.917 -10.744 -0.137 135 H SER 19 H SER 19 16.302 -7.246 -2.197 136 HA SER 19 HA SER 19 16.271 -6.191 -4.317 137 1HB SER 19 1HB SER 19 18.671 -7.576 -4.085 138 2HB SER 19 2HB SER 19 18.019 -8.153 -5.616 139 HG SER 19 HG SER 19 18.158 -6.183 -6.434 140 H ASP 20 H ASP 20 14.118 -7.772 -3.874 141 HA ASP 20 HA ASP 20 12.394 -8.877 -5.062 142 1HB ASP 20 1HB ASP 20 13.570 -7.309 -6.832 143 2HB ASP 20 2HB ASP 20 14.175 -8.833 -7.484 144 H LYS 21 H LYS 21 13.565 -10.659 -3.581 145 HA LYS 21 HA LYS 21 14.004 -13.007 -5.348 146 1HB LYS 21 1HB LYS 21 15.913 -11.979 -3.226 147 2HB LYS 21 2HB LYS 21 16.065 -13.548 -4.017 148 1HG LYS 21 1HG LYS 21 15.905 -12.092 -6.223 149 2HG LYS 21 2HG LYS 21 16.467 -10.805 -5.155 150 1HD LYS 21 1HD LYS 21 18.390 -12.197 -4.482 151 2HD LYS 21 2HD LYS 21 17.832 -13.484 -5.551 152 1HE LYS 21 1HE LYS 21 17.871 -11.284 -7.239 153 2HE LYS 21 2HE LYS 21 19.304 -11.035 -6.220 154 1HZ LYS 21 1HZ LYS 21 19.889 -13.378 -6.596 155 2HZ LYS 21 2HZ LYS 21 18.579 -13.529 -7.666 156 3HZ LYS 21 3HZ LYS 21 19.871 -12.491 -8.040 157 HA PRO 22 HA PRO 22 11.583 -14.740 -2.108 158 1HB PRO 22 1HB PRO 22 12.096 -17.428 -2.703 159 2HB PRO 22 2HB PRO 22 10.822 -16.439 -3.442 160 1HG PRO 22 1HG PRO 22 13.493 -17.175 -4.489 161 2HG PRO 22 2HG PRO 22 11.968 -16.918 -5.350 162 1HD PRO 22 1HD PRO 22 13.969 -15.113 -5.382 163 2HD PRO 22 2HD PRO 22 12.257 -14.641 -5.458 164 H TYR 23 H TYR 23 14.905 -14.819 -2.317 165 HA TYR 23 HA TYR 23 15.133 -16.000 0.420 166 1HB TYR 23 1HB TYR 23 17.020 -16.561 -1.887 167 2HB TYR 23 2HB TYR 23 17.005 -17.345 -0.308 168 HD1 TYR 23 HD1 TYR 23 16.176 -17.875 -3.608 169 HD2 TYR 23 HD2 TYR 23 14.443 -18.199 0.309 170 HE1 TYR 23 HE1 TYR 23 14.571 -19.564 -4.458 171 HE2 TYR 23 HE2 TYR 23 12.838 -19.888 -0.542 172 HH TYR 23 HH TYR 23 11.938 -20.309 -3.364 173 H ILE 24 H ILE 24 17.095 -15.219 1.548 174 HA ILE 24 HA ILE 24 18.210 -12.717 0.324 175 HB ILE 24 HB ILE 24 16.466 -12.876 2.410 176 1HG1 ILE 24 1HG1 ILE 24 17.203 -10.827 1.256 177 2HG1 ILE 24 2HG1 ILE 24 17.231 -10.607 3.006 178 1HG2 ILE 24 1HG2 ILE 24 18.502 -14.084 3.620 179 2HG2 ILE 24 2HG2 ILE 24 19.031 -12.422 3.882 180 3HG2 ILE 24 3HG2 ILE 24 17.467 -12.956 4.494 181 1HD1 ILE 24 1HD1 ILE 24 19.752 -11.597 2.512 182 2HD1 ILE 24 2HD1 ILE 24 19.457 -10.607 1.083 183 3HD1 ILE 24 3HD1 ILE 24 19.359 -9.887 2.690 184 H LEU 25 H LEU 25 20.449 -12.299 0.809 185 HA LEU 25 HA LEU 25 21.998 -14.741 1.463 186 1HB LEU 25 1HB LEU 25 22.524 -12.036 0.241 187 2HB LEU 25 2HB LEU 25 23.868 -13.064 0.745 188 HG LEU 25 HG LEU 25 21.673 -14.210 -0.960 189 1HD1 LEU 25 1HD1 LEU 25 23.061 -11.964 -1.769 190 2HD1 LEU 25 2HD1 LEU 25 24.050 -13.275 -2.411 191 3HD1 LEU 25 3HD1 LEU 25 22.347 -13.159 -2.853 192 1HD2 LEU 25 1HD2 LEU 25 23.450 -15.629 0.117 193 2HD2 LEU 25 2HD2 LEU 25 23.442 -15.725 -1.644 194 3HD2 LEU 25 3HD2 LEU 25 24.655 -14.745 -0.820 195 H ALA 26 H ALA 26 23.435 -14.846 3.231 196 HA ALA 26 HA ALA 26 22.799 -13.494 5.632 197 1HB ALA 26 1HB ALA 26 25.596 -14.412 5.158 198 2HB ALA 26 2HB ALA 26 24.492 -14.816 6.473 199 3HB ALA 26 3HB ALA 26 24.318 -15.600 4.902 200 H GLU 27 H GLU 27 25.416 -12.808 3.289 201 HA GLU 27 HA GLU 27 26.592 -10.614 4.681 202 1HB GLU 27 1HB GLU 27 26.467 -11.709 1.916 203 2HB GLU 27 2HB GLU 27 27.041 -10.050 2.076 204 1HG GLU 27 1HG GLU 27 28.178 -11.952 4.033 205 2HG GLU 27 2HG GLU 27 28.641 -12.245 2.355 206 H GLU 28 H GLU 28 23.840 -10.791 2.448 207 HA GLU 28 HA GLU 28 23.451 -8.005 1.998 208 1HB GLU 28 1HB GLU 28 21.869 -10.530 1.907 209 2HB GLU 28 2HB GLU 28 20.951 -9.024 1.904 210 1HG GLU 28 1HG GLU 28 23.153 -9.791 -0.034 211 2HG GLU 28 2HG GLU 28 21.432 -9.666 -0.398 212 H LEU 29 H LEU 29 22.140 -10.156 4.531 213 HA LEU 29 HA LEU 29 20.564 -8.187 5.883 214 1HB LEU 29 1HB LEU 29 21.980 -10.707 6.813 215 2HB LEU 29 2HB LEU 29 20.763 -9.853 7.760 216 HG LEU 29 HG LEU 29 20.397 -11.209 5.080 217 1HD1 LEU 29 1HD1 LEU 29 20.243 -12.330 7.493 218 2HD1 LEU 29 2HD1 LEU 29 18.644 -11.584 7.475 219 3HD1 LEU 29 3HD1 LEU 29 19.093 -12.741 6.221 220 1HD2 LEU 29 1HD2 LEU 29 18.724 -9.157 6.519 221 2HD2 LEU 29 2HD2 LEU 29 19.124 -9.253 4.803 222 3HD2 LEU 29 3HD2 LEU 29 17.954 -10.375 5.500 223 H ARG 30 H ARG 30 23.981 -9.093 6.112 224 HA ARG 30 HA ARG 30 24.577 -7.591 8.502 225 1HB ARG 30 1HB ARG 30 26.046 -8.876 6.230 226 2HB ARG 30 2HB ARG 30 26.939 -7.773 7.277 227 1HG ARG 30 1HG ARG 30 25.912 -9.126 9.235 228 2HG ARG 30 2HG ARG 30 25.551 -10.347 8.014 229 1HD ARG 30 1HD ARG 30 27.853 -10.678 7.502 230 2HD ARG 30 2HD ARG 30 28.330 -9.185 8.335 231 HE ARG 30 HE ARG 30 27.857 -11.734 9.621 232 1HH1 ARG 30 1HH1 ARG 30 27.465 -8.315 9.912 233 2HH1 ARG 30 2HH1 ARG 30 27.507 -8.329 11.643 234 1HH2 ARG 30 1HH2 ARG 30 27.917 -11.763 11.876 235 2HH2 ARG 30 2HH2 ARG 30 27.762 -10.278 12.754 236 H ARG 31 H ARG 31 24.685 -6.809 5.028 237 HA ARG 31 HA ARG 31 25.680 -4.079 5.607 238 1HB ARG 31 1HB ARG 31 25.841 -5.970 3.513 239 2HB ARG 31 2HB ARG 31 24.921 -4.611 2.868 240 1HG ARG 31 1HG ARG 31 27.307 -3.893 4.474 241 2HG ARG 31 2HG ARG 31 27.635 -4.675 2.927 242 1HD ARG 31 1HD ARG 31 26.114 -2.992 1.824 243 2HD ARG 31 2HD ARG 31 26.013 -2.148 3.383 244 HE ARG 31 HE ARG 31 28.746 -2.557 2.946 245 1HH1 ARG 31 1HH1 ARG 31 26.098 -1.026 1.342 246 2HH1 ARG 31 2HH1 ARG 31 27.083 0.189 0.600 247 1HH2 ARG 31 1HH2 ARG 31 30.039 -0.975 1.984 248 2HH2 ARG 31 2HH2 ARG 31 29.310 0.220 0.965 249 H GLU 32 H GLU 32 22.674 -5.712 4.770 250 HA GLU 32 HA GLU 32 21.315 -3.173 4.089 251 1HB GLU 32 1HB GLU 32 20.395 -6.054 4.346 252 2HB GLU 32 2HB GLU 32 19.402 -4.736 3.725 253 1HG GLU 32 1HG GLU 32 22.059 -5.599 2.547 254 2HG GLU 32 2HG GLU 32 20.479 -6.044 1.901 255 H LEU 33 H LEU 33 21.701 -5.305 6.842 256 HA LEU 33 HA LEU 33 19.771 -3.594 8.368 257 1HB LEU 33 1HB LEU 33 19.988 -6.497 7.920 258 2HB LEU 33 2HB LEU 33 19.801 -6.050 9.612 259 HG LEU 33 HG LEU 33 18.035 -4.765 7.555 260 1HD1 LEU 33 1HD1 LEU 33 18.193 -7.500 7.665 261 2HD1 LEU 33 2HD1 LEU 33 16.949 -7.172 8.872 262 3HD1 LEU 33 3HD1 LEU 33 16.741 -6.606 7.214 263 1HD2 LEU 33 1HD2 LEU 33 18.037 -5.304 10.501 264 2HD2 LEU 33 2HD2 LEU 33 17.627 -3.824 9.636 265 3HD2 LEU 33 3HD2 LEU 33 16.483 -5.166 9.677 266 HA PRO 34 HA PRO 34 22.974 -2.743 11.216 267 1HB PRO 34 1HB PRO 34 21.170 -3.680 13.396 268 2HB PRO 34 2HB PRO 34 22.010 -2.129 13.217 269 1HG PRO 34 1HG PRO 34 19.376 -2.394 12.784 270 2HG PRO 34 2HG PRO 34 20.382 -1.240 11.895 271 1HD PRO 34 1HD PRO 34 19.167 -3.767 10.975 272 2HD PRO 34 2HD PRO 34 19.638 -2.329 10.048 273 HA PRO 35 HA PRO 35 25.160 -6.518 11.698 274 1HB PRO 35 1HB PRO 35 26.318 -6.104 14.173 275 2HB PRO 35 2HB PRO 35 26.967 -5.466 12.650 276 1HG PRO 35 1HG PRO 35 25.364 -4.102 14.742 277 2HG PRO 35 2HG PRO 35 26.687 -3.480 13.745 278 1HD PRO 35 1HD PRO 35 24.082 -2.903 13.269 279 2HD PRO 35 2HD PRO 35 25.306 -2.989 11.984 280 H ASP 36 H ASP 36 23.485 -5.282 14.614 281 HA ASP 36 HA ASP 36 23.145 -7.755 15.962 282 1HB ASP 36 1HB ASP 36 21.637 -5.146 15.828 283 2HB ASP 36 2HB ASP 36 21.076 -6.455 16.868 284 H GLN 37 H GLN 37 21.036 -6.168 13.545 285 HA GLN 37 HA GLN 37 18.983 -8.194 13.602 286 1HB GLN 37 1HB GLN 37 19.824 -6.195 11.476 287 2HB GLN 37 2HB GLN 37 18.272 -7.030 11.531 288 1HG GLN 37 1HG GLN 37 19.305 -5.269 13.768 289 2HG GLN 37 2HG GLN 37 18.222 -4.700 12.498 290 2HE2 GLN 37 2HE2 GLN 37 17.525 -4.837 15.344 291 1HE2 GLN 37 1HE2 GLN 37 16.239 -5.936 15.487 292 H ALA 38 H ALA 38 21.847 -7.673 11.544 293 HA ALA 38 HA ALA 38 21.417 -9.703 9.623 294 1HB ALA 38 1HB ALA 38 24.172 -9.302 10.654 295 2HB ALA 38 2HB ALA 38 23.313 -7.832 10.190 296 3HB ALA 38 3HB ALA 38 23.550 -9.124 9.012 297 H GLN 39 H GLN 39 23.111 -9.921 12.776 298 HA GLN 39 HA GLN 39 23.750 -12.713 12.578 299 1HB GLN 39 1HB GLN 39 24.642 -10.847 14.123 300 2HB GLN 39 2HB GLN 39 23.217 -11.158 15.116 301 1HG GLN 39 1HG GLN 39 24.639 -12.663 16.112 302 2HG GLN 39 2HG GLN 39 24.067 -13.692 14.798 303 2HE2 GLN 39 2HE2 GLN 39 26.844 -13.212 16.283 304 1HE2 GLN 39 1HE2 GLN 39 27.938 -13.183 14.986 305 H TYR 40 H TYR 40 21.049 -11.008 14.202 306 HA TYR 40 HA TYR 40 19.754 -13.352 15.215 307 1HB TYR 40 1HB TYR 40 19.271 -10.484 14.869 308 2HB TYR 40 2HB TYR 40 17.791 -11.436 14.745 309 HD1 TYR 40 HD1 TYR 40 20.909 -11.915 16.771 310 HD2 TYR 40 HD2 TYR 40 16.657 -11.308 16.789 311 HE1 TYR 40 HE1 TYR 40 20.879 -12.193 19.235 312 HE2 TYR 40 HE2 TYR 40 16.628 -11.586 19.252 313 HH TYR 40 HH TYR 40 17.875 -11.784 21.094 314 H CYS 41 H CYS 41 19.158 -11.452 12.233 315 HA CYS 41 HA CYS 41 17.046 -13.119 11.233 316 1HB CYS 41 1HB CYS 41 19.072 -11.342 9.834 317 2HB CYS 41 2HB CYS 41 17.570 -11.922 9.116 318 HG CYS 41 HG CYS 41 17.715 -9.482 10.738 319 H ILE 42 H ILE 42 20.552 -13.058 10.497 320 HA ILE 42 HA ILE 42 20.597 -15.178 8.612 321 HB ILE 42 HB ILE 42 22.554 -14.084 10.641 322 1HG1 ILE 42 1HG1 ILE 42 22.561 -13.951 7.614 323 2HG1 ILE 42 2HG1 ILE 42 21.777 -12.736 8.624 324 1HG2 ILE 42 1HG2 ILE 42 23.011 -16.207 8.524 325 2HG2 ILE 42 2HG2 ILE 42 24.304 -15.347 9.360 326 3HG2 ILE 42 3HG2 ILE 42 23.212 -16.394 10.266 327 1HD1 ILE 42 1HD1 ILE 42 24.428 -13.244 9.630 328 2HD1 ILE 42 2HD1 ILE 42 24.515 -12.873 7.907 329 3HD1 ILE 42 3HD1 ILE 42 23.753 -11.734 9.016 330 H LYS 43 H LYS 43 20.244 -15.233 12.091 331 HA LYS 43 HA LYS 43 20.958 -18.073 12.355 332 1HB LYS 43 1HB LYS 43 20.807 -15.814 13.985 333 2HB LYS 43 2HB LYS 43 19.469 -16.822 14.536 334 1HG LYS 43 1HG LYS 43 22.190 -18.024 14.072 335 2HG LYS 43 2HG LYS 43 21.821 -17.206 15.590 336 1HD LYS 43 1HD LYS 43 19.623 -18.917 14.974 337 2HD LYS 43 2HD LYS 43 21.104 -19.859 14.794 338 1HE LYS 43 1HE LYS 43 21.793 -18.794 17.077 339 2HE LYS 43 2HE LYS 43 20.061 -18.450 17.246 340 1HZ LYS 43 1HZ LYS 43 21.003 -21.111 16.383 341 2HZ LYS 43 2HZ LYS 43 20.907 -20.726 18.032 342 3HZ LYS 43 3HZ LYS 43 19.509 -20.683 17.067 343 H ARG 44 H ARG 44 17.971 -16.109 12.393 344 HA ARG 44 HA ARG 44 16.167 -18.253 12.992 345 1HB ARG 44 1HB ARG 44 16.105 -15.483 11.937 346 2HB ARG 44 2HB ARG 44 14.706 -16.477 11.528 347 1HG ARG 44 1HG ARG 44 14.436 -15.231 13.690 348 2HG ARG 44 2HG ARG 44 14.311 -16.982 13.870 349 1HD ARG 44 1HD ARG 44 16.648 -17.101 14.628 350 2HD ARG 44 2HD ARG 44 16.821 -15.349 14.402 351 HE ARG 44 HE ARG 44 15.358 -16.654 16.576 352 1HH1 ARG 44 1HH1 ARG 44 15.720 -13.855 14.582 353 2HH1 ARG 44 2HH1 ARG 44 15.017 -12.780 15.742 354 1HH2 ARG 44 1HH2 ARG 44 14.437 -15.261 18.093 355 2HH2 ARG 44 2HH2 ARG 44 14.289 -13.574 17.726 356 H MET 45 H MET 45 16.292 -16.608 9.814 357 HA MET 45 HA MET 45 15.086 -18.416 8.178 358 1HB MET 45 1HB MET 45 17.632 -16.823 7.847 359 2HB MET 45 2HB MET 45 16.862 -17.654 6.498 360 1HG MET 45 1HG MET 45 15.492 -15.908 6.252 361 2HG MET 45 2HG MET 45 14.806 -16.267 7.837 362 1HE MET 45 1HE MET 45 16.030 -14.036 5.649 363 2HE MET 45 2HE MET 45 15.025 -13.057 6.712 364 3HE MET 45 3HE MET 45 16.732 -12.655 6.488 365 HA PRO 46 HA PRO 46 17.706 -21.996 8.813 366 1HB PRO 46 1HB PRO 46 16.036 -23.656 7.245 367 2HB PRO 46 2HB PRO 46 15.997 -23.507 9.011 368 1HG PRO 46 1HG PRO 46 14.249 -22.285 6.974 369 2HG PRO 46 2HG PRO 46 13.899 -22.734 8.650 370 1HD PRO 46 1HD PRO 46 14.217 -20.169 7.860 371 2HD PRO 46 2HD PRO 46 14.660 -20.736 9.484 372 H ALA 47 H ALA 47 17.744 -23.878 6.560 373 HA ALA 47 HA ALA 47 19.193 -22.147 4.611 374 1HB ALA 47 1HB ALA 47 19.224 -25.062 5.391 375 2HB ALA 47 2HB ALA 47 20.547 -23.898 5.445 376 3HB ALA 47 3HB ALA 47 19.988 -24.524 3.895 377 H TYR 48 H TYR 48 17.992 -21.557 2.862 378 HA TYR 48 HA TYR 48 15.513 -22.351 2.003 379 1HB TYR 48 1HB TYR 48 16.569 -20.594 0.852 380 2HB TYR 48 2HB TYR 48 18.030 -21.536 0.562 381 HD1 TYR 48 HD1 TYR 48 18.331 -21.884 -1.723 382 HD2 TYR 48 HD2 TYR 48 14.382 -22.182 -0.060 383 HE1 TYR 48 HE1 TYR 48 17.452 -22.576 -3.937 384 HE2 TYR 48 HE2 TYR 48 13.502 -22.874 -2.273 385 HH TYR 48 HH TYR 48 15.139 -22.466 -5.112 386 H SER 49 H SER 49 18.499 -23.818 0.640 387 HA SER 49 HA SER 49 18.874 -26.007 -0.175 388 1HB SER 49 1HB SER 49 17.338 -26.140 2.169 389 2HB SER 49 2HB SER 49 16.511 -27.203 1.034 390 HG SER 49 HG SER 49 18.281 -28.438 0.880 391 H GLY 50 H GLY 50 17.938 -27.562 -1.737 392 1HA GLY 50 1HA GLY 50 15.839 -26.280 -3.382 393 2HA GLY 50 2HA GLY 50 15.506 -27.915 -2.806 394 HA PRO 51 HA PRO 51 17.606 -29.188 -6.440 395 1HB PRO 51 1HB PRO 51 16.812 -27.635 -8.621 396 2HB PRO 51 2HB PRO 51 15.921 -29.027 -7.979 397 1HG PRO 51 1HG PRO 51 15.454 -26.131 -7.571 398 2HG PRO 51 2HG PRO 51 14.294 -27.464 -7.667 399 1HD PRO 51 1HD PRO 51 14.972 -26.286 -5.334 400 2HD PRO 51 2HD PRO 51 14.523 -28.002 -5.448 401 H GLY 52 H GLY 52 19.643 -28.291 -5.527 402 1HA GLY 52 1HA GLY 52 20.754 -26.138 -7.277 403 2HA GLY 52 2HA GLY 52 21.719 -27.430 -6.561 404 H SER 53 H SER 53 20.061 -24.402 -5.911 405 HA SER 53 HA SER 53 20.399 -22.806 -4.261 406 1HB SER 53 1HB SER 53 20.643 -25.039 -2.334 407 2HB SER 53 2HB SER 53 19.571 -23.650 -2.314 408 HG SER 53 HG SER 53 19.299 -26.123 -3.559 409 H VAL 54 H VAL 54 21.912 -22.155 -2.446 410 HA VAL 54 HA VAL 54 24.583 -23.473 -2.552 411 HB VAL 54 HB VAL 54 25.574 -21.203 -3.014 412 1HG1 VAL 54 1HG1 VAL 54 24.731 -23.042 -4.763 413 2HG1 VAL 54 2HG1 VAL 54 23.657 -21.729 -5.243 414 3HG1 VAL 54 3HG1 VAL 54 25.406 -21.502 -5.295 415 1HG2 VAL 54 1HG2 VAL 54 23.533 -19.959 -2.192 416 2HG2 VAL 54 2HG2 VAL 54 24.127 -19.410 -3.759 417 3HG2 VAL 54 3HG2 VAL 54 22.709 -20.454 -3.670 418 HA PRO 55 HA PRO 55 24.619 -22.470 1.707 419 1HB PRO 55 1HB PRO 55 27.317 -21.851 2.053 420 2HB PRO 55 2HB PRO 55 26.636 -23.488 2.077 421 1HG PRO 55 1HG PRO 55 28.048 -22.060 -0.103 422 2HG PRO 55 2HG PRO 55 28.069 -23.776 0.326 423 1HD PRO 55 1HD PRO 55 26.686 -22.829 -1.786 424 2HD PRO 55 2HD PRO 55 26.141 -24.231 -0.838 425 H GLY 56 H GLY 56 23.392 -20.449 1.308 426 1HA GLY 56 1HA GLY 56 24.747 -17.968 0.709 427 2HA GLY 56 2HA GLY 56 24.487 -18.143 2.446 428 H ALA 57 H ALA 57 22.350 -19.338 -0.119 429 HA ALA 57 HA ALA 57 20.455 -17.133 0.126 430 1HB ALA 57 1HB ALA 57 19.086 -19.001 -1.180 431 2HB ALA 57 2HB ALA 57 20.433 -18.169 -1.959 432 3HB ALA 57 3HB ALA 57 20.667 -19.776 -1.273 433 H LEU 58 H LEU 58 19.329 -16.936 2.030 434 HA LEU 58 HA LEU 58 18.273 -19.438 3.304 435 1HB LEU 58 1HB LEU 58 18.283 -18.017 5.368 436 2HB LEU 58 2HB LEU 58 19.880 -18.202 4.653 437 HG LEU 58 HG LEU 58 18.520 -15.949 3.467 438 1HD1 LEU 58 1HD1 LEU 58 18.825 -15.939 6.484 439 2HD1 LEU 58 2HD1 LEU 58 18.482 -14.519 5.497 440 3HD1 LEU 58 3HD1 LEU 58 17.307 -15.831 5.592 441 1HD2 LEU 58 1HD2 LEU 58 20.997 -16.212 5.205 442 2HD2 LEU 58 2HD2 LEU 58 20.954 -16.320 3.445 443 3HD2 LEU 58 3HD2 LEU 58 20.578 -14.794 4.244 444 H ASP 59 H ASP 59 16.106 -19.208 4.291 445 HA ASP 59 HA ASP 59 14.363 -17.459 2.616 446 1HB ASP 59 1HB ASP 59 14.190 -20.057 4.025 447 2HB ASP 59 2HB ASP 59 12.710 -19.099 4.028 448 H TYR 60 H TYR 60 13.814 -15.526 3.520 449 HA TYR 60 HA TYR 60 13.904 -15.021 6.405 450 1HB TYR 60 1HB TYR 60 13.035 -12.783 5.594 451 2HB TYR 60 2HB TYR 60 14.520 -13.305 4.799 452 HD1 TYR 60 HD1 TYR 60 14.622 -13.348 2.472 453 HD2 TYR 60 HD2 TYR 60 10.794 -13.522 4.413 454 HE1 TYR 60 HE1 TYR 60 13.498 -13.229 0.264 455 HE2 TYR 60 HE2 TYR 60 9.669 -13.403 2.204 456 HH TYR 60 HH TYR 60 11.542 -12.983 -0.789 457 H ALA 61 H ALA 61 11.493 -16.033 4.092 458 HA ALA 61 HA ALA 61 9.102 -15.118 5.294 459 1HB ALA 61 1HB ALA 61 9.740 -16.573 3.143 460 2HB ALA 61 2HB ALA 61 9.299 -17.902 4.214 461 3HB ALA 61 3HB ALA 61 8.122 -16.642 3.843 462 H ALA 62 H ALA 62 11.230 -17.803 6.174 463 HA ALA 62 HA ALA 62 9.486 -19.079 8.058 464 1HB ALA 62 1HB ALA 62 11.349 -20.318 7.356 465 2HB ALA 62 2HB ALA 62 12.439 -18.940 7.516 466 3HB ALA 62 3HB ALA 62 11.863 -19.782 8.956 467 H PHE 63 H PHE 63 11.674 -16.358 8.256 468 HA PHE 63 HA PHE 63 11.767 -16.077 11.112 469 1HB PHE 63 1HB PHE 63 13.179 -15.031 9.206 470 2HB PHE 63 2HB PHE 63 11.887 -13.836 9.090 471 HD1 PHE 63 HD1 PHE 63 11.129 -12.758 11.378 472 HD2 PHE 63 HD2 PHE 63 14.919 -14.668 10.720 473 HE1 PHE 63 HE1 PHE 63 12.080 -11.542 13.319 474 HE2 PHE 63 HE2 PHE 63 15.869 -13.453 12.661 475 HZ PHE 63 HZ PHE 63 14.449 -11.889 13.961 476 H SER 64 H SER 64 9.613 -14.677 8.630 477 HA SER 64 HA SER 64 8.100 -13.027 10.446 478 1HB SER 64 1HB SER 64 6.540 -12.959 8.495 479 2HB SER 64 2HB SER 64 8.214 -12.677 8.026 480 HG SER 64 HG SER 64 8.170 -14.457 6.912 481 H SER 65 H SER 65 7.394 -16.226 8.986 482 HA SER 65 HA SER 65 4.922 -16.617 10.418 483 1HB SER 65 1HB SER 65 6.853 -18.639 9.239 484 2HB SER 65 2HB SER 65 5.134 -18.884 9.534 485 HG SER 65 HG SER 65 6.439 -17.434 7.550 486 H ALA 66 H ALA 66 8.299 -17.483 11.101 487 HA ALA 66 HA ALA 66 7.776 -19.198 13.350 488 1HB ALA 66 1HB ALA 66 10.201 -18.699 13.806 489 2HB ALA 66 2HB ALA 66 10.139 -17.479 12.533 490 3HB ALA 66 3HB ALA 66 9.885 -19.178 12.138 491 H LEU 67 H LEU 67 8.527 -15.706 13.123 492 HA LEU 67 HA LEU 67 8.513 -15.225 15.962 493 1HB LEU 67 1HB LEU 67 8.427 -13.676 13.411 494 2HB LEU 67 2HB LEU 67 7.980 -12.824 14.889 495 HG LEU 67 HG LEU 67 10.453 -12.740 14.266 496 1HD1 LEU 67 1HD1 LEU 67 9.449 -13.785 16.916 497 2HD1 LEU 67 2HD1 LEU 67 11.142 -13.360 16.673 498 3HD1 LEU 67 3HD1 LEU 67 9.890 -12.132 16.488 499 1HD2 LEU 67 1HD2 LEU 67 10.309 -15.312 13.706 500 2HD2 LEU 67 2HD2 LEU 67 11.781 -14.656 14.424 501 3HD2 LEU 67 3HD2 LEU 67 10.609 -15.505 15.432 502 H TYR 68 H TYR 68 5.995 -14.894 13.443 503 HA TYR 68 HA TYR 68 4.004 -14.185 15.540 504 1HB TYR 68 1HB TYR 68 4.195 -14.054 12.538 505 2HB TYR 68 2HB TYR 68 2.627 -13.908 13.332 506 HD1 TYR 68 HD1 TYR 68 5.646 -12.203 12.408 507 HD2 TYR 68 HD2 TYR 68 2.393 -12.159 15.214 508 HE1 TYR 68 HE1 TYR 68 6.137 -9.831 12.940 509 HE2 TYR 68 HE2 TYR 68 2.884 -9.787 15.745 510 HH TYR 68 HH TYR 68 5.729 -8.162 14.436 511 H GLY 69 H GLY 69 5.226 -17.001 14.716 512 1HA GLY 69 1HA GLY 69 4.396 -19.200 14.758 513 2HA GLY 69 2HA GLY 69 3.176 -18.611 13.627 514 H GLU 70 H GLU 70 1.156 -19.029 14.385 515 HA GLU 70 HA GLU 70 0.679 -19.412 17.267 516 1HB GLU 70 1HB GLU 70 0.674 -16.949 16.912 517 2HB GLU 70 2HB GLU 70 -0.601 -17.142 15.710 518 1HG GLU 70 1HG GLU 70 -2.162 -17.909 17.334 519 2HG GLU 70 2HG GLU 70 -0.898 -18.165 18.537 520 H SER 71 H SER 71 -0.363 -21.377 16.962 521 HA SER 71 HA SER 71 -1.930 -22.943 16.108 522 1HB SER 71 1HB SER 71 -3.445 -20.327 16.333 523 2HB SER 71 2HB SER 71 -4.231 -21.887 16.103 524 HG SER 71 HG SER 71 -3.959 -22.240 18.149 525 H ASP 72 H ASP 72 -0.296 -22.058 14.016 526 HA ASP 72 HA ASP 72 -1.702 -20.904 11.792 527 1HB ASP 72 1HB ASP 72 0.778 -21.094 12.119 528 2HB ASP 72 2HB ASP 72 0.644 -22.831 11.839 529 H LEU 73 H LEU 73 -3.133 -21.855 10.376 530 HA LEU 73 HA LEU 73 -3.222 -24.836 10.201 531 1HB LEU 73 1HB LEU 73 -4.832 -24.052 11.914 532 2HB LEU 73 2HB LEU 73 -5.569 -22.980 10.722 533 HG LEU 73 HG LEU 73 -5.460 -25.542 9.525 534 1HD1 LEU 73 1HD1 LEU 73 -5.396 -25.890 12.280 535 2HD1 LEU 73 2HD1 LEU 73 -7.113 -26.008 11.896 536 3HD1 LEU 73 3HD1 LEU 73 -5.958 -27.081 11.107 537 1HD2 LEU 73 1HD2 LEU 73 -7.605 -23.748 10.653 538 2HD2 LEU 73 2HD2 LEU 73 -7.231 -24.096 8.965 539 3HD2 LEU 73 3HD2 LEU 73 -8.024 -25.315 9.962 540 H GLY 7 H GLY 7 14.534 6.265 -2.033 541 1HA GLY 7 1HA GLY 7 13.858 5.524 0.750 542 2HA GLY 7 2HA GLY 7 15.376 5.163 -0.074 543 H LYS 8 H LYS 8 11.989 4.198 0.242 544 HA LYS 8 HA LYS 8 10.915 2.163 -0.316 545 1HB LYS 8 1HB LYS 8 12.458 2.913 -2.464 546 2HB LYS 8 2HB LYS 8 13.087 1.303 -2.121 547 1HG LYS 8 1HG LYS 8 11.275 0.959 -3.628 548 2HG LYS 8 2HG LYS 8 10.646 0.529 -2.037 549 1HD LYS 8 1HD LYS 8 9.763 2.888 -1.844 550 2HD LYS 8 2HD LYS 8 10.216 3.129 -3.532 551 1HE LYS 8 1HE LYS 8 8.015 2.426 -3.816 552 2HE LYS 8 2HE LYS 8 8.826 0.846 -3.824 553 1HZ LYS 8 1HZ LYS 8 8.608 0.950 -1.314 554 2HZ LYS 8 2HZ LYS 8 7.490 2.206 -1.559 555 3HZ LYS 8 3HZ LYS 8 7.177 0.661 -2.184 556 H LYS 9 H LYS 9 14.424 1.452 -0.564 557 HA LYS 9 HA LYS 9 14.223 -1.079 0.787 558 1HB LYS 9 1HB LYS 9 16.073 0.331 -0.699 559 2HB LYS 9 2HB LYS 9 16.793 0.357 0.911 560 1HG LYS 9 1HG LYS 9 16.193 -2.192 0.936 561 2HG LYS 9 2HG LYS 9 16.120 -2.008 -0.817 562 1HD LYS 9 1HD LYS 9 18.485 -1.287 0.939 563 2HD LYS 9 2HD LYS 9 18.377 -2.694 -0.119 564 1HE LYS 9 1HE LYS 9 18.219 -1.257 -2.092 565 2HE LYS 9 2HE LYS 9 18.206 0.190 -1.064 566 1HZ LYS 9 1HZ LYS 9 20.357 -1.855 -1.014 567 2HZ LYS 9 2HZ LYS 9 20.449 -0.418 -1.915 568 3HZ LYS 9 3HZ LYS 9 20.351 -0.357 -0.220 569 H ALA 10 H ALA 10 15.012 2.207 1.900 570 HA ALA 10 HA ALA 10 15.871 1.566 4.539 571 1HB ALA 10 1HB ALA 10 15.707 3.881 4.855 572 2HB ALA 10 2HB ALA 10 14.243 4.007 3.880 573 3HB ALA 10 3HB ALA 10 15.807 3.773 3.098 574 H GLU 11 H GLU 11 12.621 2.068 3.185 575 HA GLU 11 HA GLU 11 11.190 2.046 5.677 576 1HB GLU 11 1HB GLU 11 10.587 1.551 2.769 577 2HB GLU 11 2HB GLU 11 9.334 1.274 3.980 578 1HG GLU 11 1HG GLU 11 9.501 3.559 4.766 579 2HG GLU 11 2HG GLU 11 10.893 3.860 3.725 580 H ALA 12 H ALA 12 12.061 -0.536 3.374 581 HA ALA 12 HA ALA 12 10.683 -2.667 4.719 582 1HB ALA 12 1HB ALA 12 11.403 -2.884 2.435 583 2HB ALA 12 2HB ALA 12 13.071 -2.498 2.859 584 3HB ALA 12 3HB ALA 12 12.366 -4.034 3.363 585 H VAL 13 H VAL 13 14.000 -1.386 4.992 586 HA VAL 13 HA VAL 13 15.068 -3.352 6.752 587 HB VAL 13 HB VAL 13 15.594 -0.367 6.544 588 1HG1 VAL 13 1HG1 VAL 13 17.244 -2.656 7.653 589 2HG1 VAL 13 2HG1 VAL 13 17.886 -1.047 7.331 590 3HG1 VAL 13 3HG1 VAL 13 16.625 -1.266 8.545 591 1HG2 VAL 13 1HG2 VAL 13 15.851 -2.359 4.601 592 2HG2 VAL 13 2HG2 VAL 13 16.650 -0.786 4.589 593 3HG2 VAL 13 3HG2 VAL 13 17.478 -2.191 5.262 594 H ALA 14 H ALA 14 13.365 -0.288 7.463 595 HA ALA 14 HA ALA 14 13.526 -0.442 10.313 596 1HB ALA 14 1HB ALA 14 11.848 0.921 8.242 597 2HB ALA 14 2HB ALA 14 12.873 1.628 9.491 598 3HB ALA 14 3HB ALA 14 11.292 0.970 9.915 599 H THR 15 H THR 15 11.137 -1.705 7.997 600 HA THR 15 HA THR 15 9.213 -2.640 9.899 601 HB THR 15 HB THR 15 9.782 -4.058 7.317 602 HG1 THR 15 HG1 THR 15 9.212 -1.340 7.680 603 1HG2 THR 15 1HG2 THR 15 7.722 -4.209 9.019 604 2HG2 THR 15 2HG2 THR 15 7.167 -2.837 8.060 605 3HG2 THR 15 3HG2 THR 15 7.505 -4.380 7.278 606 H VAL 16 H VAL 16 11.926 -4.333 8.283 607 HA VAL 16 HA VAL 16 11.541 -6.863 9.569 608 HB VAL 16 HB VAL 16 13.944 -5.441 8.385 609 1HG1 VAL 16 1HG1 VAL 16 13.627 -8.339 9.229 610 2HG1 VAL 16 2HG1 VAL 16 14.974 -7.708 8.282 611 3HG1 VAL 16 3HG1 VAL 16 14.728 -7.160 9.941 612 1HG2 VAL 16 1HG2 VAL 16 11.678 -7.012 7.357 613 2HG2 VAL 16 2HG2 VAL 16 12.752 -5.902 6.506 614 3HG2 VAL 16 3HG2 VAL 16 13.246 -7.573 6.777 615 H VAL 17 H VAL 17 13.646 -4.089 10.400 616 HA VAL 17 HA VAL 17 14.873 -5.229 12.707 617 HB VAL 17 HB VAL 17 14.207 -2.432 11.775 618 1HG1 VAL 17 1HG1 VAL 17 15.716 -3.270 14.268 619 2HG1 VAL 17 2HG1 VAL 17 15.765 -1.646 13.582 620 3HG1 VAL 17 3HG1 VAL 17 14.247 -2.298 14.199 621 1HG2 VAL 17 1HG2 VAL 17 16.536 -4.300 11.696 622 2HG2 VAL 17 2HG2 VAL 17 15.969 -3.163 10.474 623 3HG2 VAL 17 3HG2 VAL 17 16.885 -2.580 11.863 624 H ALA 18 H ALA 18 12.002 -3.091 12.471 625 HA ALA 18 HA ALA 18 11.307 -2.993 15.200 626 1HB ALA 18 1HB ALA 18 9.649 -3.056 12.662 627 2HB ALA 18 2HB ALA 18 10.242 -1.629 13.511 628 3HB ALA 18 3HB ALA 18 8.986 -2.632 14.241 629 H ALA 19 H ALA 19 10.485 -5.457 12.755 630 HA ALA 19 HA ALA 19 8.777 -7.036 14.448 631 1HB ALA 19 1HB ALA 19 8.677 -8.363 12.570 632 2HB ALA 19 2HB ALA 19 10.422 -8.317 12.324 633 3HB ALA 19 3HB ALA 19 9.426 -6.953 11.821 634 H VAL 20 H VAL 20 12.252 -7.297 13.631 635 HA VAL 20 HA VAL 20 12.763 -9.624 15.248 636 HB VAL 20 HB VAL 20 14.594 -7.368 14.365 637 1HG1 VAL 20 1HG1 VAL 20 15.060 -10.216 15.267 638 2HG1 VAL 20 2HG1 VAL 20 16.257 -9.319 14.333 639 3HG1 VAL 20 3HG1 VAL 20 15.765 -8.739 15.925 640 1HG2 VAL 20 1HG2 VAL 20 13.025 -8.896 12.730 641 2HG2 VAL 20 2HG2 VAL 20 14.592 -8.239 12.256 642 3HG2 VAL 20 3HG2 VAL 20 14.472 -9.900 12.839 643 H ASP 21 H ASP 21 13.122 -6.122 15.863 644 HA ASP 21 HA ASP 21 14.307 -6.249 18.434 645 1HB ASP 21 1HB ASP 21 13.920 -4.253 16.931 646 2HB ASP 21 2HB ASP 21 12.228 -4.281 17.429 647 H GLN 22 H GLN 22 10.896 -6.484 17.456 648 HA GLN 22 HA GLN 22 9.655 -6.333 19.997 649 1HB GLN 22 1HB GLN 22 8.826 -6.590 17.478 650 2HB GLN 22 2HB GLN 22 8.731 -8.292 17.928 651 1HG GLN 22 1HG GLN 22 7.530 -6.163 19.691 652 2HG GLN 22 2HG GLN 22 6.633 -6.812 18.318 653 2HE2 GLN 22 2HE2 GLN 22 6.076 -9.130 18.365 654 1HE2 GLN 22 1HE2 GLN 22 6.094 -9.995 19.826 655 H ALA 23 H ALA 23 10.844 -9.232 18.256 656 HA ALA 23 HA ALA 23 10.192 -11.161 20.236 657 1HB ALA 23 1HB ALA 23 11.429 -12.566 18.862 658 2HB ALA 23 2HB ALA 23 11.167 -11.220 17.754 659 3HB ALA 23 3HB ALA 23 12.700 -11.369 18.614 660 H ARG 24 H ARG 24 13.024 -9.046 19.893 661 HA ARG 24 HA ARG 24 14.654 -10.238 21.923 662 1HB ARG 24 1HB ARG 24 14.993 -8.356 20.061 663 2HB ARG 24 2HB ARG 24 14.634 -7.286 21.417 664 1HG ARG 24 1HG ARG 24 16.438 -9.236 22.397 665 2HG ARG 24 2HG ARG 24 17.078 -8.700 20.843 666 1HD ARG 24 1HD ARG 24 16.061 -6.604 22.729 667 2HD ARG 24 2HD ARG 24 17.641 -7.342 23.062 668 HE ARG 24 HE ARG 24 17.300 -6.597 20.260 669 1HH1 ARG 24 1HH1 ARG 24 18.170 -5.554 23.436 670 2HH1 ARG 24 2HH1 ARG 24 19.213 -4.292 22.875 671 1HH2 ARG 24 1HH2 ARG 24 18.661 -4.956 19.516 672 2HH2 ARG 24 2HH2 ARG 24 19.493 -3.953 20.659 673 H VAL 25 H VAL 25 12.116 -7.747 22.056 674 HA VAL 25 HA VAL 25 12.472 -6.913 24.752 675 HB VAL 25 HB VAL 25 9.905 -7.204 23.162 676 1HG1 VAL 25 1HG1 VAL 25 10.761 -5.594 25.555 677 2HG1 VAL 25 2HG1 VAL 25 9.502 -4.979 24.485 678 3HG1 VAL 25 3HG1 VAL 25 9.279 -6.519 25.314 679 1HG2 VAL 25 1HG2 VAL 25 12.227 -5.843 22.418 680 2HG2 VAL 25 2HG2 VAL 25 10.607 -5.549 21.787 681 3HG2 VAL 25 3HG2 VAL 25 11.213 -4.593 23.139 682 H ARG 26 H ARG 26 11.202 -9.848 23.425 683 HA ARG 26 HA ARG 26 10.323 -11.782 24.464 684 1HB ARG 26 1HB ARG 26 12.511 -11.358 25.660 685 2HB ARG 26 2HB ARG 26 11.596 -10.506 26.904 686 1HG ARG 26 1HG ARG 26 10.330 -13.033 26.387 687 2HG ARG 26 2HG ARG 26 12.048 -13.303 26.691 688 1HD ARG 26 1HD ARG 26 11.947 -12.347 28.846 689 2HD ARG 26 2HD ARG 26 10.433 -11.492 28.492 690 HE ARG 26 HE ARG 26 9.258 -13.489 28.965 691 1HH1 ARG 26 1HH1 ARG 26 12.613 -14.073 28.379 692 2HH1 ARG 26 2HH1 ARG 26 12.527 -15.748 28.812 693 1HH2 ARG 26 1HH2 ARG 26 9.137 -15.672 29.527 694 2HH2 ARG 26 2HH2 ARG 26 10.562 -16.652 29.457 695 H GLU 27 H GLU 27 8.314 -10.014 24.127 696 HA GLU 27 HA GLU 27 7.062 -9.175 26.628 697 1HB GLU 27 1HB GLU 27 6.850 -8.681 23.861 698 2HB GLU 27 2HB GLU 27 5.304 -9.393 24.328 699 1HG GLU 27 1HG GLU 27 5.540 -7.714 26.374 700 2HG GLU 27 2HG GLU 27 6.566 -6.837 25.238 701 HA PRO 28 HA PRO 28 5.041 -12.969 27.502 702 1HB PRO 28 1HB PRO 28 2.815 -11.362 28.641 703 2HB PRO 28 2HB PRO 28 3.841 -12.578 29.425 704 1HG PRO 28 1HG PRO 28 4.116 -9.966 29.915 705 2HG PRO 28 2HG PRO 28 5.495 -11.076 29.900 706 1HD PRO 28 1HD PRO 28 4.675 -9.062 27.876 707 2HD PRO 28 2HD PRO 28 6.300 -9.614 28.335 708 H ARG 29 H ARG 29 3.335 -14.266 26.645 709 HA ARG 29 HA ARG 29 1.958 -13.128 24.303 710 1HB ARG 29 1HB ARG 29 3.072 -15.340 24.286 711 2HB ARG 29 2HB ARG 29 1.979 -15.896 25.554 712 1HG ARG 29 1HG ARG 29 0.160 -16.011 24.134 713 2HG ARG 29 2HG ARG 29 0.769 -14.734 23.081 714 1HD ARG 29 1HD ARG 29 1.026 -16.738 21.806 715 2HD ARG 29 2HD ARG 29 2.647 -16.424 22.458 716 HE ARG 29 HE ARG 29 2.394 -18.320 23.845 717 1HH1 ARG 29 1HH1 ARG 29 -0.642 -17.194 22.640 718 2HH1 ARG 29 2HH1 ARG 29 -1.541 -18.517 23.304 719 1HH2 ARG 29 1HH2 ARG 29 1.232 -20.045 24.715 720 2HH2 ARG 29 2HH2 ARG 29 -0.483 -20.129 24.479 No H/Q in entry = 720 Start of MODEL 30 1 H MET 1 H MET 1 -4.071 -13.767 5.307 2 HA MET 1 HA MET 1 -3.315 -15.009 2.680 3 1HB MET 1 1HB MET 1 -5.913 -14.401 4.059 4 2HB MET 1 2HB MET 1 -5.867 -14.424 2.295 5 1HG MET 1 1HG MET 1 -6.339 -16.655 2.728 6 2HG MET 1 2HG MET 1 -4.576 -16.706 2.686 7 1HE MET 1 1HE MET 1 -5.920 -18.872 3.663 8 2HE MET 1 2HE MET 1 -5.890 -19.200 5.393 9 3HE MET 1 3HE MET 1 -7.279 -18.379 4.669 10 H ALA 2 H ALA 2 -5.337 -12.240 3.730 11 HA ALA 2 HA ALA 2 -3.570 -10.242 2.588 12 1HB ALA 2 1HB ALA 2 -5.785 -11.478 0.981 13 2HB ALA 2 2HB ALA 2 -5.411 -9.771 0.743 14 3HB ALA 2 3HB ALA 2 -4.170 -10.993 0.461 15 H ASP 3 H ASP 3 -4.344 -9.683 4.903 16 HA ASP 3 HA ASP 3 -6.498 -7.694 4.697 17 1HB ASP 3 1HB ASP 3 -7.542 -9.997 5.076 18 2HB ASP 3 2HB ASP 3 -6.767 -9.983 6.662 19 H THR 4 H THR 4 -4.146 -6.779 5.218 20 HA THR 4 HA THR 4 -2.797 -5.663 6.809 21 HB THR 4 HB THR 4 -4.843 -6.139 8.918 22 HG1 THR 4 HG1 THR 4 -6.366 -5.882 7.485 23 1HG2 THR 4 1HG2 THR 4 -2.893 -4.442 8.887 24 2HG2 THR 4 2HG2 THR 4 -3.888 -3.528 7.752 25 3HG2 THR 4 3HG2 THR 4 -4.480 -3.854 9.382 26 H ASP 5 H ASP 5 -1.041 -6.893 7.415 27 HA ASP 5 HA ASP 5 -1.372 -8.757 9.707 28 1HB ASP 5 1HB ASP 5 -1.632 -9.866 7.374 29 2HB ASP 5 2HB ASP 5 0.103 -9.597 7.210 30 H THR 6 H THR 6 0.770 -9.341 10.643 31 HA THR 6 HA THR 6 2.715 -7.110 10.305 32 HB THR 6 HB THR 6 2.768 -9.287 12.392 33 HG1 THR 6 HG1 THR 6 0.976 -7.147 12.092 34 1HG2 THR 6 1HG2 THR 6 3.481 -6.341 12.392 35 2HG2 THR 6 2HG2 THR 6 3.641 -7.424 13.775 36 3HG2 THR 6 3HG2 THR 6 4.623 -7.684 12.333 37 H ALA 7 H ALA 7 2.578 -10.680 10.339 38 HA ALA 7 HA ALA 7 5.371 -11.131 9.851 39 1HB ALA 7 1HB ALA 7 3.788 -12.814 10.700 40 2HB ALA 7 2HB ALA 7 4.532 -13.389 9.208 41 3HB ALA 7 3HB ALA 7 2.888 -12.750 9.184 42 H GLU 8 H GLU 8 2.563 -10.998 7.638 43 HA GLU 8 HA GLU 8 3.910 -11.490 5.202 44 1HB GLU 8 1HB GLU 8 1.501 -11.438 5.379 45 2HB GLU 8 2HB GLU 8 1.527 -9.765 5.937 46 1HG GLU 8 1HG GLU 8 2.486 -9.070 3.754 47 2HG GLU 8 2HG GLU 8 2.390 -10.742 3.198 48 H GLN 9 H GLN 9 3.584 -8.489 7.078 49 HA GLN 9 HA GLN 9 4.586 -6.660 5.133 50 1HB GLN 9 1HB GLN 9 3.520 -6.396 7.524 51 2HB GLN 9 2HB GLN 9 5.195 -6.461 8.074 52 1HG GLN 9 1HG GLN 9 4.863 -4.163 7.741 53 2HG GLN 9 2HG GLN 9 5.612 -4.663 6.226 54 2HE2 GLN 9 2HE2 GLN 9 4.444 -2.716 5.284 55 1HE2 GLN 9 1HE2 GLN 9 2.814 -2.885 4.843 56 H VAL 10 H VAL 10 6.279 -8.733 7.496 57 HA VAL 10 HA VAL 10 8.917 -7.719 7.072 58 HB VAL 10 HB VAL 10 7.959 -10.530 7.726 59 1HG1 VAL 10 1HG1 VAL 10 10.575 -9.430 7.350 60 2HG1 VAL 10 2HG1 VAL 10 10.364 -9.771 9.068 61 3HG1 VAL 10 3HG1 VAL 10 10.142 -11.056 7.880 62 1HG2 VAL 10 1HG2 VAL 10 7.786 -8.025 9.164 63 2HG2 VAL 10 2HG2 VAL 10 7.176 -9.611 9.632 64 3HG2 VAL 10 3HG2 VAL 10 8.831 -9.149 10.031 65 H ILE 11 H ILE 11 7.052 -10.262 5.413 66 HA ILE 11 HA ILE 11 9.042 -11.269 3.676 67 HB ILE 11 HB ILE 11 6.116 -10.745 3.051 68 1HG1 ILE 11 1HG1 ILE 11 6.080 -11.828 5.168 69 2HG1 ILE 11 2HG1 ILE 11 5.890 -13.135 4.002 70 1HG2 ILE 11 1HG2 ILE 11 8.122 -11.865 1.502 71 2HG2 ILE 11 2HG2 ILE 11 7.348 -13.273 2.229 72 3HG2 ILE 11 3HG2 ILE 11 6.392 -12.131 1.285 73 1HD1 ILE 11 1HD1 ILE 11 8.357 -13.533 4.111 74 2HD1 ILE 11 2HD1 ILE 11 8.461 -12.311 5.378 75 3HD1 ILE 11 3HD1 ILE 11 7.550 -13.795 5.657 76 H ALA 12 H ALA 12 6.755 -8.563 3.129 77 HA ALA 12 HA ALA 12 7.725 -7.781 0.566 78 1HB ALA 12 1HB ALA 12 6.700 -5.901 2.699 79 2HB ALA 12 2HB ALA 12 5.636 -7.090 1.947 80 3HB ALA 12 3HB ALA 12 6.405 -5.846 0.962 81 H SER 13 H SER 13 8.661 -6.740 3.851 82 HA SER 13 HA SER 13 10.652 -4.831 3.023 83 1HB SER 13 1HB SER 13 10.662 -6.465 5.567 84 2HB SER 13 2HB SER 13 11.166 -4.791 5.346 85 HG SER 13 HG SER 13 8.883 -4.435 4.737 86 H PHE 14 H PHE 14 10.768 -8.293 3.858 87 HA PHE 14 HA PHE 14 13.633 -8.570 3.626 88 1HB PHE 14 1HB PHE 14 11.207 -10.259 3.870 89 2HB PHE 14 2HB PHE 14 12.599 -11.047 3.126 90 HD1 PHE 14 HD1 PHE 14 11.080 -10.964 6.104 91 HD2 PHE 14 HD2 PHE 14 14.892 -9.881 4.445 92 HE1 PHE 14 HE1 PHE 14 12.128 -11.232 8.336 93 HE2 PHE 14 HE2 PHE 14 15.940 -10.149 6.677 94 HZ PHE 14 HZ PHE 14 14.558 -10.824 8.623 95 H ARG 15 H ARG 15 10.923 -9.046 1.358 96 HA ARG 15 HA ARG 15 12.287 -10.146 -0.846 97 1HB ARG 15 1HB ARG 15 9.805 -8.874 -0.216 98 2HB ARG 15 2HB ARG 15 10.412 -8.151 -1.706 99 1HG ARG 15 1HG ARG 15 10.199 -10.095 -2.895 100 2HG ARG 15 2HG ARG 15 10.637 -11.103 -1.515 101 1HD ARG 15 1HD ARG 15 8.433 -11.583 -1.284 102 2HD ARG 15 2HD ARG 15 8.177 -9.890 -0.819 103 HE ARG 15 HE ARG 15 7.662 -11.040 -3.471 104 1HH1 ARG 15 1HH1 ARG 15 8.335 -8.223 -1.585 105 2HH1 ARG 15 2HH1 ARG 15 7.649 -7.132 -2.740 106 1HH2 ARG 15 1HH2 ARG 15 6.766 -9.623 -4.980 107 2HH2 ARG 15 2HH2 ARG 15 6.760 -7.922 -4.654 108 H ILE 16 H ILE 16 11.785 -6.680 -0.076 109 HA ILE 16 HA ILE 16 13.301 -5.603 -2.235 110 HB ILE 16 HB ILE 16 12.673 -4.666 0.579 111 1HG1 ILE 16 1HG1 ILE 16 11.565 -3.681 -2.055 112 2HG1 ILE 16 2HG1 ILE 16 10.855 -5.054 -1.207 113 1HG2 ILE 16 1HG2 ILE 16 14.556 -3.581 -1.306 114 2HG2 ILE 16 2HG2 ILE 16 13.196 -2.470 -1.141 115 3HG2 ILE 16 3HG2 ILE 16 14.112 -2.962 0.283 116 1HD1 ILE 16 1HD1 ILE 16 10.909 -3.403 0.860 117 2HD1 ILE 16 2HD1 ILE 16 10.944 -2.168 -0.399 118 3HD1 ILE 16 3HD1 ILE 16 9.602 -3.309 -0.320 119 H LEU 17 H LEU 17 14.269 -6.593 1.049 120 HA LEU 17 HA LEU 17 17.001 -5.731 0.892 121 1HB LEU 17 1HB LEU 17 15.216 -7.211 2.625 122 2HB LEU 17 2HB LEU 17 16.782 -8.019 2.545 123 HG LEU 17 HG LEU 17 17.787 -5.656 2.902 124 1HD1 LEU 17 1HD1 LEU 17 15.501 -4.580 2.505 125 2HD1 LEU 17 2HD1 LEU 17 15.055 -5.169 4.106 126 3HD1 LEU 17 3HD1 LEU 17 16.380 -4.021 3.927 127 1HD2 LEU 17 1HD2 LEU 17 16.288 -7.237 5.000 128 2HD2 LEU 17 2HD2 LEU 17 18.015 -7.266 4.643 129 3HD2 LEU 17 3HD2 LEU 17 17.298 -5.854 5.420 130 H ALA 18 H ALA 18 15.361 -8.738 -0.036 131 HA ALA 18 HA ALA 18 17.907 -10.024 -0.816 132 1HB ALA 18 1HB ALA 18 15.329 -11.247 -1.558 133 2HB ALA 18 2HB ALA 18 16.657 -11.920 -0.611 134 3HB ALA 18 3HB ALA 18 15.471 -10.866 0.158 135 H SER 19 H SER 19 16.177 -7.657 -2.213 136 HA SER 19 HA SER 19 16.109 -6.866 -4.444 137 1HB SER 19 1HB SER 19 18.374 -8.318 -4.224 138 2HB SER 19 2HB SER 19 17.527 -9.300 -5.417 139 HG SER 19 HG SER 19 18.117 -7.839 -6.797 140 H ASP 20 H ASP 20 13.812 -8.053 -3.665 141 HA ASP 20 HA ASP 20 11.905 -9.216 -4.442 142 1HB ASP 20 1HB ASP 20 13.450 -8.715 -7.007 143 2HB ASP 20 2HB ASP 20 11.742 -9.148 -6.933 144 H LYS 21 H LYS 21 13.546 -11.040 -3.328 145 HA LYS 21 HA LYS 21 13.448 -13.334 -5.241 146 1HB LYS 21 1HB LYS 21 15.729 -12.417 -3.467 147 2HB LYS 21 2HB LYS 21 15.678 -14.011 -4.221 148 1HG LYS 21 1HG LYS 21 15.215 -12.617 -6.418 149 2HG LYS 21 2HG LYS 21 15.981 -11.318 -5.506 150 1HD LYS 21 1HD LYS 21 17.955 -12.731 -5.116 151 2HD LYS 21 2HD LYS 21 17.189 -14.056 -5.993 152 1HE LYS 21 1HE LYS 21 17.024 -12.471 -7.996 153 2HE LYS 21 2HE LYS 21 18.118 -11.394 -7.104 154 1HZ LYS 21 1HZ LYS 21 19.648 -13.262 -6.826 155 2HZ LYS 21 2HZ LYS 21 18.620 -14.254 -7.745 156 3HZ LYS 21 3HZ LYS 21 19.391 -12.923 -8.467 157 HA PRO 22 HA PRO 22 11.334 -15.168 -1.855 158 1HB PRO 22 1HB PRO 22 11.987 -17.827 -2.404 159 2HB PRO 22 2HB PRO 22 10.613 -16.947 -3.101 160 1HG PRO 22 1HG PRO 22 13.263 -17.552 -4.274 161 2HG PRO 22 2HG PRO 22 11.679 -17.421 -5.054 162 1HD PRO 22 1HD PRO 22 13.567 -15.495 -5.243 163 2HD PRO 22 2HD PRO 22 11.827 -15.142 -5.273 164 H TYR 23 H TYR 23 14.698 -15.353 -2.452 165 HA TYR 23 HA TYR 23 15.156 -16.191 0.388 166 1HB TYR 23 1HB TYR 23 17.101 -17.502 -0.467 167 2HB TYR 23 2HB TYR 23 15.569 -18.084 -1.118 168 HD1 TYR 23 HD1 TYR 23 15.015 -17.834 -3.455 169 HD2 TYR 23 HD2 TYR 23 18.629 -16.141 -1.866 170 HE1 TYR 23 HE1 TYR 23 15.837 -17.429 -5.759 171 HE2 TYR 23 HE2 TYR 23 19.452 -15.735 -4.171 172 HH TYR 23 HH TYR 23 19.099 -16.503 -6.408 173 H ILE 24 H ILE 24 17.494 -15.574 1.029 174 HA ILE 24 HA ILE 24 18.543 -13.227 -0.473 175 HB ILE 24 HB ILE 24 16.816 -12.480 1.175 176 1HG1 ILE 24 1HG1 ILE 24 19.683 -11.740 1.844 177 2HG1 ILE 24 2HG1 ILE 24 18.677 -10.981 0.608 178 1HG2 ILE 24 1HG2 ILE 24 17.726 -14.473 2.754 179 2HG2 ILE 24 2HG2 ILE 24 18.635 -13.125 3.437 180 3HG2 ILE 24 3HG2 ILE 24 16.873 -13.067 3.393 181 1HD1 ILE 24 1HD1 ILE 24 17.854 -11.085 3.515 182 2HD1 ILE 24 2HD1 ILE 24 18.812 -9.759 2.855 183 3HD1 ILE 24 3HD1 ILE 24 17.191 -10.070 2.235 184 H LEU 25 H LEU 25 20.750 -12.674 0.215 185 HA LEU 25 HA LEU 25 22.226 -15.039 1.210 186 1HB LEU 25 1HB LEU 25 22.951 -12.386 -0.057 187 2HB LEU 25 2HB LEU 25 24.171 -13.528 0.506 188 HG LEU 25 HG LEU 25 22.547 -15.178 -0.939 189 1HD1 LEU 25 1HD1 LEU 25 22.596 -12.484 -2.334 190 2HD1 LEU 25 2HD1 LEU 25 22.074 -13.998 -3.070 191 3HD1 LEU 25 3HD1 LEU 25 21.161 -13.311 -1.727 192 1HD2 LEU 25 1HD2 LEU 25 25.080 -14.799 -1.000 193 2HD2 LEU 25 2HD2 LEU 25 24.326 -15.225 -2.536 194 3HD2 LEU 25 3HD2 LEU 25 24.763 -13.549 -2.203 195 H ALA 26 H ALA 26 23.475 -15.008 3.111 196 HA ALA 26 HA ALA 26 22.614 -13.423 5.307 197 1HB ALA 26 1HB ALA 26 25.375 -14.584 5.149 198 2HB ALA 26 2HB ALA 26 24.208 -14.670 6.468 199 3HB ALA 26 3HB ALA 26 23.993 -15.672 5.033 200 H GLU 27 H GLU 27 25.380 -13.020 3.103 201 HA GLU 27 HA GLU 27 26.570 -10.789 4.477 202 1HB GLU 27 1HB GLU 27 26.990 -12.419 2.214 203 2HB GLU 27 2HB GLU 27 26.925 -10.767 1.602 204 1HG GLU 27 1HG GLU 27 28.475 -11.042 4.085 205 2HG GLU 27 2HG GLU 27 29.151 -11.942 2.727 206 H GLU 28 H GLU 28 24.071 -11.053 1.965 207 HA GLU 28 HA GLU 28 23.909 -8.221 1.394 208 1HB GLU 28 1HB GLU 28 23.068 -10.340 0.113 209 2HB GLU 28 2HB GLU 28 21.646 -10.202 1.148 210 1HG GLU 28 1HG GLU 28 20.972 -8.204 0.193 211 2HG GLU 28 2HG GLU 28 22.616 -7.742 -0.254 212 H LEU 29 H LEU 29 21.872 -10.400 3.383 213 HA LEU 29 HA LEU 29 20.250 -8.282 4.472 214 1HB LEU 29 1HB LEU 29 19.312 -10.028 5.763 215 2HB LEU 29 2HB LEU 29 19.871 -10.846 4.307 216 HG LEU 29 HG LEU 29 22.077 -11.209 5.659 217 1HD1 LEU 29 1HD1 LEU 29 20.421 -9.864 7.576 218 2HD1 LEU 29 2HD1 LEU 29 20.718 -11.509 8.142 219 3HD1 LEU 29 3HD1 LEU 29 22.075 -10.444 7.776 220 1HD2 LEU 29 1HD2 LEU 29 19.495 -12.649 6.338 221 2HD2 LEU 29 2HD2 LEU 29 20.567 -13.021 4.988 222 3HD2 LEU 29 3HD2 LEU 29 21.113 -13.281 6.644 223 H ARG 30 H ARG 30 23.284 -9.808 5.452 224 HA ARG 30 HA ARG 30 23.448 -8.758 8.107 225 1HB ARG 30 1HB ARG 30 24.850 -10.565 7.185 226 2HB ARG 30 2HB ARG 30 25.595 -9.423 6.064 227 1HG ARG 30 1HG ARG 30 25.885 -8.191 8.542 228 2HG ARG 30 2HG ARG 30 26.178 -9.896 8.887 229 1HD ARG 30 1HD ARG 30 28.243 -9.704 7.980 230 2HD ARG 30 2HD ARG 30 27.508 -9.254 6.429 231 HE ARG 30 HE ARG 30 28.034 -7.012 6.926 232 1HH1 ARG 30 1HH1 ARG 30 27.843 -8.931 9.793 233 2HH1 ARG 30 2HH1 ARG 30 28.310 -7.638 10.844 234 1HH2 ARG 30 1HH2 ARG 30 28.647 -5.321 8.286 235 2HH2 ARG 30 2HH2 ARG 30 28.763 -5.594 9.993 236 H ARG 31 H ARG 31 24.292 -7.379 4.949 237 HA ARG 31 HA ARG 31 25.534 -4.990 6.130 238 1HB ARG 31 1HB ARG 31 25.881 -6.320 3.835 239 2HB ARG 31 2HB ARG 31 24.653 -5.183 3.278 240 1HG ARG 31 1HG ARG 31 26.652 -4.021 2.866 241 2HG ARG 31 2HG ARG 31 26.144 -3.378 4.427 242 1HD ARG 31 1HD ARG 31 28.220 -3.978 5.160 243 2HD ARG 31 2HD ARG 31 27.613 -5.646 5.110 244 HE ARG 31 HE ARG 31 28.550 -4.584 2.530 245 1HH1 ARG 31 1HH1 ARG 31 29.272 -6.335 5.425 246 2HH1 ARG 31 2HH1 ARG 31 30.570 -7.228 4.709 247 1HH2 ARG 31 1HH2 ARG 31 30.241 -5.746 1.596 248 2HH2 ARG 31 2HH2 ARG 31 31.117 -6.898 2.547 249 H GLU 32 H GLU 32 22.406 -5.923 4.776 250 HA GLU 32 HA GLU 32 21.360 -3.208 4.610 251 1HB GLU 32 1HB GLU 32 20.429 -6.023 4.282 252 2HB GLU 32 2HB GLU 32 19.190 -4.803 4.582 253 1HG GLU 32 1HG GLU 32 21.316 -4.485 2.452 254 2HG GLU 32 2HG GLU 32 19.740 -5.212 2.131 255 H LEU 33 H LEU 33 21.592 -5.646 7.111 256 HA LEU 33 HA LEU 33 19.776 -4.036 8.863 257 1HB LEU 33 1HB LEU 33 20.463 -6.921 8.504 258 2HB LEU 33 2HB LEU 33 20.045 -6.382 10.125 259 HG LEU 33 HG LEU 33 18.275 -5.436 7.935 260 1HD1 LEU 33 1HD1 LEU 33 18.936 -8.007 7.678 261 2HD1 LEU 33 2HD1 LEU 33 17.756 -8.190 8.976 262 3HD1 LEU 33 3HD1 LEU 33 17.275 -7.460 7.444 263 1HD2 LEU 33 1HD2 LEU 33 18.107 -5.117 10.530 264 2HD2 LEU 33 2HD2 LEU 33 16.643 -5.494 9.621 265 3HD2 LEU 33 3HD2 LEU 33 17.477 -6.764 10.518 266 HA PRO 34 HA PRO 34 23.181 -2.798 11.324 267 1HB PRO 34 1HB PRO 34 21.599 -3.615 13.711 268 2HB PRO 34 2HB PRO 34 22.328 -2.044 13.326 269 1HG PRO 34 1HG PRO 34 19.693 -2.466 13.145 270 2HG PRO 34 2HG PRO 34 20.556 -1.381 12.044 271 1HD PRO 34 1HD PRO 34 19.457 -4.086 11.543 272 2HD PRO 34 2HD PRO 34 19.670 -2.720 10.427 273 HA PRO 35 HA PRO 35 25.490 -6.305 12.527 274 1HB PRO 35 1HB PRO 35 26.377 -5.789 15.085 275 2HB PRO 35 2HB PRO 35 27.098 -5.076 13.628 276 1HG PRO 35 1HG PRO 35 25.184 -3.893 15.566 277 2HG PRO 35 2HG PRO 35 26.533 -3.138 14.701 278 1HD PRO 35 1HD PRO 35 23.935 -2.814 13.980 279 2HD PRO 35 2HD PRO 35 25.284 -2.742 12.828 280 H ASP 36 H ASP 36 23.464 -5.169 15.250 281 HA ASP 36 HA ASP 36 23.150 -7.737 16.496 282 1HB ASP 36 1HB ASP 36 21.517 -5.183 16.492 283 2HB ASP 36 2HB ASP 36 21.222 -6.527 17.596 284 H GLN 37 H GLN 37 21.113 -5.965 14.142 285 HA GLN 37 HA GLN 37 19.013 -7.940 14.061 286 1HB GLN 37 1HB GLN 37 19.843 -5.456 12.742 287 2HB GLN 37 2HB GLN 37 19.004 -6.563 11.655 288 1HG GLN 37 1HG GLN 37 17.387 -5.090 12.771 289 2HG GLN 37 2HG GLN 37 17.157 -6.757 13.297 290 2HE2 GLN 37 2HE2 GLN 37 16.522 -6.545 15.470 291 1HE2 GLN 37 1HE2 GLN 37 17.391 -5.671 16.638 292 H ALA 38 H ALA 38 21.872 -7.336 12.007 293 HA ALA 38 HA ALA 38 21.390 -9.272 10.001 294 1HB ALA 38 1HB ALA 38 23.856 -8.093 11.287 295 2HB ALA 38 2HB ALA 38 23.979 -9.225 9.940 296 3HB ALA 38 3HB ALA 38 23.138 -7.689 9.727 297 H GLN 39 H GLN 39 23.208 -9.637 13.068 298 HA GLN 39 HA GLN 39 23.794 -12.429 12.720 299 1HB GLN 39 1HB GLN 39 24.783 -10.597 14.278 300 2HB GLN 39 2HB GLN 39 23.453 -11.008 15.361 301 1HG GLN 39 1HG GLN 39 25.254 -13.142 14.220 302 2HG GLN 39 2HG GLN 39 25.688 -12.268 15.690 303 2HE2 GLN 39 2HE2 GLN 39 24.591 -15.169 15.038 304 1HE2 GLN 39 1HE2 GLN 39 23.379 -15.370 16.211 305 H TYR 40 H TYR 40 21.178 -10.741 14.483 306 HA TYR 40 HA TYR 40 19.961 -13.091 15.580 307 1HB TYR 40 1HB TYR 40 19.681 -10.388 15.799 308 2HB TYR 40 2HB TYR 40 18.254 -10.782 14.841 309 HD1 TYR 40 HD1 TYR 40 19.818 -10.962 18.109 310 HD2 TYR 40 HD2 TYR 40 16.639 -12.530 15.684 311 HE1 TYR 40 HE1 TYR 40 18.689 -11.819 20.144 312 HE2 TYR 40 HE2 TYR 40 15.509 -13.387 17.718 313 HH TYR 40 HH TYR 40 15.465 -13.238 19.994 314 H CYS 41 H CYS 41 19.343 -11.300 12.547 315 HA CYS 41 HA CYS 41 17.094 -12.862 11.695 316 1HB CYS 41 1HB CYS 41 19.206 -11.296 10.178 317 2HB CYS 41 2HB CYS 41 17.681 -11.847 9.485 318 HG CYS 41 HG CYS 41 17.864 -9.750 11.801 319 H ILE 42 H ILE 42 20.553 -13.078 10.740 320 HA ILE 42 HA ILE 42 20.387 -15.282 9.001 321 HB ILE 42 HB ILE 42 22.477 -14.306 10.957 322 1HG1 ILE 42 1HG1 ILE 42 22.513 -14.263 7.936 323 2HG1 ILE 42 2HG1 ILE 42 21.705 -12.999 8.864 324 1HG2 ILE 42 1HG2 ILE 42 22.409 -16.781 9.356 325 2HG2 ILE 42 2HG2 ILE 42 23.846 -15.793 9.094 326 3HG2 ILE 42 3HG2 ILE 42 23.443 -16.350 10.718 327 1HD1 ILE 42 1HD1 ILE 42 24.541 -13.783 9.504 328 2HD1 ILE 42 2HD1 ILE 42 24.198 -12.642 8.204 329 3HD1 ILE 42 3HD1 ILE 42 23.706 -12.269 9.855 330 H LYS 43 H LYS 43 20.108 -15.215 12.488 331 HA LYS 43 HA LYS 43 20.594 -18.100 12.812 332 1HB LYS 43 1HB LYS 43 20.870 -15.900 14.384 333 2HB LYS 43 2HB LYS 43 19.298 -16.479 14.934 334 1HG LYS 43 1HG LYS 43 21.078 -18.721 14.650 335 2HG LYS 43 2HG LYS 43 21.853 -17.487 15.645 336 1HD LYS 43 1HD LYS 43 20.428 -17.830 17.366 337 2HD LYS 43 2HD LYS 43 19.023 -17.848 16.300 338 1HE LYS 43 1HE LYS 43 19.907 -20.211 15.583 339 2HE LYS 43 2HE LYS 43 20.796 -20.141 17.118 340 1HZ LYS 43 1HZ LYS 43 17.970 -19.335 17.056 341 2HZ LYS 43 2HZ LYS 43 18.346 -20.991 17.081 342 3HZ LYS 43 3HZ LYS 43 18.876 -19.985 18.339 343 H ARG 44 H ARG 44 17.890 -16.025 12.160 344 HA ARG 44 HA ARG 44 15.895 -17.960 13.155 345 1HB ARG 44 1HB ARG 44 15.882 -15.235 11.858 346 2HB ARG 44 2HB ARG 44 14.387 -16.142 12.090 347 1HG ARG 44 1HG ARG 44 16.197 -15.946 14.442 348 2HG ARG 44 2HG ARG 44 15.365 -14.466 13.961 349 1HD ARG 44 1HD ARG 44 13.196 -15.737 13.990 350 2HD ARG 44 2HD ARG 44 14.076 -17.132 14.645 351 HE ARG 44 HE ARG 44 14.647 -14.705 16.132 352 1HH1 ARG 44 1HH1 ARG 44 12.396 -17.278 15.641 353 2HH1 ARG 44 2HH1 ARG 44 11.756 -17.196 17.248 354 1HH2 ARG 44 1HH2 ARG 44 13.818 -14.588 18.229 355 2HH2 ARG 44 2HH2 ARG 44 12.556 -15.672 18.710 356 H MET 45 H MET 45 16.130 -16.282 9.998 357 HA MET 45 HA MET 45 14.595 -18.024 8.480 358 1HB MET 45 1HB MET 45 16.099 -17.235 6.592 359 2HB MET 45 2HB MET 45 15.436 -15.958 7.603 360 1HG MET 45 1HG MET 45 17.564 -15.957 8.913 361 2HG MET 45 2HG MET 45 18.217 -17.150 7.793 362 1HE MET 45 1HE MET 45 16.023 -14.197 7.867 363 2HE MET 45 2HE MET 45 16.724 -12.965 6.822 364 3HE MET 45 3HE MET 45 15.791 -14.296 6.125 365 HA PRO 46 HA PRO 46 17.076 -21.720 9.053 366 1HB PRO 46 1HB PRO 46 15.274 -23.289 7.573 367 2HB PRO 46 2HB PRO 46 15.257 -23.075 9.332 368 1HG PRO 46 1HG PRO 46 13.603 -21.773 7.255 369 2HG PRO 46 2HG PRO 46 13.198 -22.200 8.925 370 1HD PRO 46 1HD PRO 46 13.690 -19.662 8.157 371 2HD PRO 46 2HD PRO 46 14.096 -20.265 9.779 372 H ALA 47 H ALA 47 16.994 -23.633 6.922 373 HA ALA 47 HA ALA 47 18.772 -22.350 5.010 374 1HB ALA 47 1HB ALA 47 17.488 -25.093 5.201 375 2HB ALA 47 2HB ALA 47 19.099 -24.641 5.760 376 3HB ALA 47 3HB ALA 47 18.742 -24.670 4.034 377 H TYR 48 H TYR 48 18.182 -21.402 3.109 378 HA TYR 48 HA TYR 48 15.693 -20.686 2.221 379 1HB TYR 48 1HB TYR 48 16.721 -20.518 0.016 380 2HB TYR 48 2HB TYR 48 17.943 -20.142 1.234 381 HD1 TYR 48 HD1 TYR 48 17.032 -22.320 -1.493 382 HD2 TYR 48 HD2 TYR 48 19.512 -22.012 2.000 383 HE1 TYR 48 HE1 TYR 48 18.443 -24.174 -2.332 384 HE2 TYR 48 HE2 TYR 48 20.925 -23.867 1.159 385 HH TYR 48 HH TYR 48 20.281 -25.980 -0.670 386 H SER 49 H SER 49 17.245 -23.840 1.607 387 HA SER 49 HA SER 49 16.294 -25.893 0.914 388 1HB SER 49 1HB SER 49 14.548 -24.590 2.665 389 2HB SER 49 2HB SER 49 13.525 -25.062 1.312 390 HG SER 49 HG SER 49 13.753 -27.076 1.874 391 H GLY 50 H GLY 50 16.773 -25.614 -1.341 392 1HA GLY 50 1HA GLY 50 15.522 -24.018 -3.230 393 2HA GLY 50 2HA GLY 50 14.433 -25.395 -3.053 394 HA PRO 51 HA PRO 51 17.210 -27.529 -5.673 395 1HB PRO 51 1HB PRO 51 16.437 -26.699 -8.218 396 2HB PRO 51 2HB PRO 51 15.573 -27.897 -7.237 397 1HG PRO 51 1HG PRO 51 14.980 -25.027 -7.674 398 2HG PRO 51 2HG PRO 51 13.875 -26.389 -7.441 399 1HD PRO 51 1HD PRO 51 14.397 -24.582 -5.500 400 2HD PRO 51 2HD PRO 51 14.007 -26.281 -5.155 401 H GLY 52 H GLY 52 16.901 -24.463 -7.506 402 1HA GLY 52 1HA GLY 52 18.625 -23.267 -8.613 403 2HA GLY 52 2HA GLY 52 19.782 -24.472 -8.045 404 H SER 53 H SER 53 19.889 -24.395 -5.456 405 HA SER 53 HA SER 53 19.406 -22.098 -3.981 406 1HB SER 53 1HB SER 53 20.143 -24.283 -3.114 407 2HB SER 53 2HB SER 53 21.725 -24.037 -3.844 408 HG SER 53 HG SER 53 22.119 -23.174 -1.951 409 H VAL 54 H VAL 54 21.921 -21.286 -2.995 410 HA VAL 54 HA VAL 54 23.507 -20.222 -5.252 411 HB VAL 54 HB VAL 54 23.065 -17.865 -4.388 412 1HG1 VAL 54 1HG1 VAL 54 21.967 -18.830 -6.419 413 2HG1 VAL 54 2HG1 VAL 54 20.634 -19.371 -5.399 414 3HG1 VAL 54 3HG1 VAL 54 20.956 -17.648 -5.589 415 1HG2 VAL 54 1HG2 VAL 54 21.539 -19.439 -2.479 416 2HG2 VAL 54 2HG2 VAL 54 21.967 -17.729 -2.420 417 3HG2 VAL 54 3HG2 VAL 54 20.515 -18.246 -3.277 418 HA PRO 55 HA PRO 55 26.840 -20.199 -2.438 419 1HB PRO 55 1HB PRO 55 27.510 -17.429 -2.365 420 2HB PRO 55 2HB PRO 55 28.248 -18.679 -3.381 421 1HG PRO 55 1HG PRO 55 26.188 -16.684 -4.051 422 2HG PRO 55 2HG PRO 55 27.371 -17.488 -5.094 423 1HD PRO 55 1HD PRO 55 24.750 -18.095 -5.156 424 2HD PRO 55 2HD PRO 55 26.013 -19.309 -5.458 425 H GLY 56 H GLY 56 25.397 -20.658 -0.622 426 1HA GLY 56 1HA GLY 56 25.516 -18.645 1.467 427 2HA GLY 56 2HA GLY 56 24.755 -20.231 1.606 428 H ALA 57 H ALA 57 22.526 -20.420 1.119 429 HA ALA 57 HA ALA 57 21.111 -17.827 0.583 430 1HB ALA 57 1HB ALA 57 21.133 -20.345 -0.767 431 2HB ALA 57 2HB ALA 57 19.531 -20.124 -0.064 432 3HB ALA 57 3HB ALA 57 20.186 -18.911 -1.163 433 H LEU 58 H LEU 58 19.409 -17.313 1.958 434 HA LEU 58 HA LEU 58 18.653 -19.330 4.049 435 1HB LEU 58 1HB LEU 58 19.289 -16.373 4.292 436 2HB LEU 58 2HB LEU 58 18.572 -17.325 5.593 437 HG LEU 58 HG LEU 58 20.936 -18.597 4.414 438 1HD1 LEU 58 1HD1 LEU 58 21.055 -15.789 5.461 439 2HD1 LEU 58 2HD1 LEU 58 22.376 -16.894 5.838 440 3HD1 LEU 58 3HD1 LEU 58 21.980 -16.534 4.158 441 1HD2 LEU 58 1HD2 LEU 58 19.618 -19.070 6.605 442 2HD2 LEU 58 2HD2 LEU 58 21.379 -19.126 6.673 443 3HD2 LEU 58 3HD2 LEU 58 20.518 -17.706 7.267 444 H ASP 59 H ASP 59 16.453 -18.917 4.948 445 HA ASP 59 HA ASP 59 14.696 -17.575 2.924 446 1HB ASP 59 1HB ASP 59 14.691 -20.135 3.700 447 2HB ASP 59 2HB ASP 59 13.690 -19.483 4.994 448 H TYR 60 H TYR 60 14.178 -15.535 3.667 449 HA TYR 60 HA TYR 60 14.057 -14.868 6.504 450 1HB TYR 60 1HB TYR 60 13.366 -12.680 5.603 451 2HB TYR 60 2HB TYR 60 14.726 -13.311 4.674 452 HD1 TYR 60 HD1 TYR 60 14.501 -13.878 2.361 453 HD2 TYR 60 HD2 TYR 60 11.033 -12.885 4.693 454 HE1 TYR 60 HE1 TYR 60 13.139 -13.773 0.291 455 HE2 TYR 60 HE2 TYR 60 9.671 -12.779 2.623 456 HH TYR 60 HH TYR 60 11.139 -13.389 -0.574 457 H ALA 61 H ALA 61 11.823 -15.993 4.068 458 HA ALA 61 HA ALA 61 9.349 -15.134 5.213 459 1HB ALA 61 1HB ALA 61 8.642 -16.213 3.353 460 2HB ALA 61 2HB ALA 61 9.234 -17.754 3.977 461 3HB ALA 61 3HB ALA 61 10.314 -16.698 3.068 462 H ALA 62 H ALA 62 11.269 -18.119 5.686 463 HA ALA 62 HA ALA 62 9.479 -19.404 7.498 464 1HB ALA 62 1HB ALA 62 11.149 -20.785 6.682 465 2HB ALA 62 2HB ALA 62 12.372 -19.518 6.769 466 3HB ALA 62 3HB ALA 62 11.869 -20.361 8.234 467 H PHE 63 H PHE 63 11.946 -16.957 7.965 468 HA PHE 63 HA PHE 63 12.011 -17.073 10.857 469 1HB PHE 63 1HB PHE 63 13.865 -16.130 9.713 470 2HB PHE 63 2HB PHE 63 12.832 -15.110 8.712 471 HD1 PHE 63 HD1 PHE 63 13.992 -13.044 9.313 472 HD2 PHE 63 HD2 PHE 63 12.215 -15.548 12.316 473 HE1 PHE 63 HE1 PHE 63 14.202 -11.208 10.967 474 HE2 PHE 63 HE2 PHE 63 12.427 -13.711 13.970 475 HZ PHE 63 HZ PHE 63 13.419 -11.542 13.296 476 H SER 64 H SER 64 10.211 -15.094 8.498 477 HA SER 64 HA SER 64 8.998 -13.278 10.326 478 1HB SER 64 1HB SER 64 9.107 -13.407 7.721 479 2HB SER 64 2HB SER 64 7.649 -14.385 7.869 480 HG SER 64 HG SER 64 7.884 -11.925 9.221 481 H SER 65 H SER 65 7.721 -16.357 9.003 482 HA SER 65 HA SER 65 5.305 -16.317 10.574 483 1HB SER 65 1HB SER 65 6.800 -18.116 8.770 484 2HB SER 65 2HB SER 65 5.778 -18.944 9.942 485 HG SER 65 HG SER 65 4.580 -18.446 8.101 486 H ALA 66 H ALA 66 8.535 -17.692 11.110 487 HA ALA 66 HA ALA 66 7.849 -19.253 13.434 488 1HB ALA 66 1HB ALA 66 10.217 -19.527 13.596 489 2HB ALA 66 2HB ALA 66 10.520 -17.995 12.778 490 3HB ALA 66 3HB ALA 66 9.882 -19.366 11.873 491 H LEU 67 H LEU 67 9.287 -15.979 13.088 492 HA LEU 67 HA LEU 67 9.452 -15.511 15.931 493 1HB LEU 67 1HB LEU 67 10.159 -13.351 15.242 494 2HB LEU 67 2HB LEU 67 10.710 -14.434 13.970 495 HG LEU 67 HG LEU 67 8.356 -13.859 12.909 496 1HD1 LEU 67 1HD1 LEU 67 8.769 -11.826 15.049 497 2HD1 LEU 67 2HD1 LEU 67 8.178 -11.238 13.494 498 3HD1 LEU 67 3HD1 LEU 67 7.266 -12.461 14.379 499 1HD2 LEU 67 1HD2 LEU 67 10.822 -12.108 12.943 500 2HD2 LEU 67 2HD2 LEU 67 10.378 -13.330 11.751 501 3HD2 LEU 67 3HD2 LEU 67 9.474 -11.819 11.843 502 H TYR 68 H TYR 68 6.974 -14.880 13.490 503 HA TYR 68 HA TYR 68 5.298 -13.477 15.512 504 1HB TYR 68 1HB TYR 68 5.598 -13.565 12.577 505 2HB TYR 68 2HB TYR 68 3.924 -13.488 13.129 506 HD1 TYR 68 HD1 TYR 68 6.061 -11.371 11.816 507 HD2 TYR 68 HD2 TYR 68 4.206 -11.957 15.646 508 HE1 TYR 68 HE1 TYR 68 6.331 -8.957 12.316 509 HE2 TYR 68 HE2 TYR 68 4.475 -9.543 16.146 510 HH TYR 68 HH TYR 68 5.813 -7.304 13.730 511 H GLY 69 H GLY 69 5.866 -16.598 14.809 512 1HA GLY 69 1HA GLY 69 4.192 -18.373 14.229 513 2HA GLY 69 2HA GLY 69 2.981 -17.368 15.027 514 H GLU 70 H GLU 70 2.406 -18.519 16.832 515 HA GLU 70 HA GLU 70 4.598 -19.264 18.729 516 1HB GLU 70 1HB GLU 70 1.681 -18.512 18.984 517 2HB GLU 70 2HB GLU 70 2.562 -19.244 20.327 518 1HG GLU 70 1HG GLU 70 4.174 -17.436 20.337 519 2HG GLU 70 2HG GLU 70 3.477 -16.748 18.870 520 H SER 71 H SER 71 3.848 -21.214 20.187 521 HA SER 71 HA SER 71 3.323 -23.482 18.394 522 1HB SER 71 1HB SER 71 4.811 -23.037 20.653 523 2HB SER 71 2HB SER 71 3.406 -23.858 21.328 524 HG SER 71 HG SER 71 5.423 -24.810 19.736 525 H ASP 72 H ASP 72 1.621 -21.721 20.956 526 HA ASP 72 HA ASP 72 -0.686 -23.594 20.774 527 1HB ASP 72 1HB ASP 72 0.487 -22.600 22.908 528 2HB ASP 72 2HB ASP 72 -0.485 -21.173 22.549 529 H LEU 73 H LEU 73 -2.266 -23.074 19.314 530 HA LEU 73 HA LEU 73 -3.369 -20.383 19.157 531 1HB LEU 73 1HB LEU 73 -1.094 -20.576 17.814 532 2HB LEU 73 2HB LEU 73 -2.117 -21.355 16.607 533 HG LEU 73 HG LEU 73 -3.606 -19.139 17.364 534 1HD1 LEU 73 1HD1 LEU 73 -0.661 -18.429 17.216 535 2HD1 LEU 73 2HD1 LEU 73 -1.973 -17.254 17.100 536 3HD1 LEU 73 3HD1 LEU 73 -1.739 -18.173 18.589 537 1HD2 LEU 73 1HD2 LEU 73 -1.849 -19.891 15.062 538 2HD2 LEU 73 2HD2 LEU 73 -3.589 -19.601 15.096 539 3HD2 LEU 73 3HD2 LEU 73 -2.467 -18.241 15.122 540 H GLY 7 H GLY 7 14.561 3.677 -4.014 541 1HA GLY 7 1HA GLY 7 12.687 1.602 -4.620 542 2HA GLY 7 2HA GLY 7 11.976 3.161 -5.044 543 H LYS 8 H LYS 8 13.066 1.123 -2.416 544 HA LYS 8 HA LYS 8 12.604 3.122 -0.329 545 1HB LYS 8 1HB LYS 8 10.550 1.901 0.506 546 2HB LYS 8 2HB LYS 8 10.318 2.730 -1.033 547 1HG LYS 8 1HG LYS 8 10.172 0.771 -2.225 548 2HG LYS 8 2HG LYS 8 11.283 -0.085 -1.155 549 1HD LYS 8 1HD LYS 8 9.592 -0.878 0.114 550 2HD LYS 8 2HD LYS 8 8.838 0.713 0.224 551 1HE LYS 8 1HE LYS 8 8.020 0.337 -2.181 552 2HE LYS 8 2HE LYS 8 8.490 -1.361 -1.956 553 1HZ LYS 8 1HZ LYS 8 7.239 -1.034 0.297 554 2HZ LYS 8 2HZ LYS 8 6.439 0.201 -0.546 555 3HZ LYS 8 3HZ LYS 8 6.370 -1.398 -1.117 556 H LYS 9 H LYS 9 14.727 1.262 -0.937 557 HA LYS 9 HA LYS 9 14.609 -1.164 0.569 558 1HB LYS 9 1HB LYS 9 16.430 0.334 -0.994 559 2HB LYS 9 2HB LYS 9 17.227 0.063 0.556 560 1HG LYS 9 1HG LYS 9 16.673 -2.364 0.373 561 2HG LYS 9 2HG LYS 9 15.998 -2.060 -1.227 562 1HD LYS 9 1HD LYS 9 18.186 -1.204 -1.989 563 2HD LYS 9 2HD LYS 9 18.863 -1.519 -0.391 564 1HE LYS 9 1HE LYS 9 19.464 -3.505 -1.428 565 2HE LYS 9 2HE LYS 9 17.831 -3.965 -0.904 566 1HZ LYS 9 1HZ LYS 9 17.004 -3.013 -3.028 567 2HZ LYS 9 2HZ LYS 9 18.615 -2.831 -3.536 568 3HZ LYS 9 3HZ LYS 9 17.987 -4.381 -3.237 569 H ALA 10 H ALA 10 15.880 2.064 1.473 570 HA ALA 10 HA ALA 10 16.691 1.474 4.114 571 1HB ALA 10 1HB ALA 10 17.153 3.687 3.996 572 2HB ALA 10 2HB ALA 10 15.442 4.085 3.850 573 3HB ALA 10 3HB ALA 10 16.382 3.692 2.410 574 H GLU 11 H GLU 11 13.489 2.566 2.938 575 HA GLU 11 HA GLU 11 12.200 2.658 5.494 576 1HB GLU 11 1HB GLU 11 11.249 2.212 2.651 577 2HB GLU 11 2HB GLU 11 10.140 2.433 4.005 578 1HG GLU 11 1HG GLU 11 10.656 4.659 4.245 579 2HG GLU 11 2HG GLU 11 12.326 4.436 3.721 580 H ALA 12 H ALA 12 12.516 0.045 3.084 581 HA ALA 12 HA ALA 12 10.836 -1.868 4.389 582 1HB ALA 12 1HB ALA 12 13.289 -2.206 2.633 583 2HB ALA 12 2HB ALA 12 11.636 -1.992 2.058 584 3HB ALA 12 3HB ALA 12 12.080 -3.452 2.941 585 H VAL 13 H VAL 13 14.248 -1.011 4.822 586 HA VAL 13 HA VAL 13 15.015 -3.241 6.452 587 HB VAL 13 HB VAL 13 15.975 -0.361 6.403 588 1HG1 VAL 13 1HG1 VAL 13 16.952 -2.858 7.704 589 2HG1 VAL 13 2HG1 VAL 13 18.165 -1.807 6.973 590 3HG1 VAL 13 3HG1 VAL 13 17.101 -1.182 8.233 591 1HG2 VAL 13 1HG2 VAL 13 15.902 -2.036 4.279 592 2HG2 VAL 13 2HG2 VAL 13 17.201 -0.869 4.529 593 3HG2 VAL 13 3HG2 VAL 13 17.424 -2.553 5.006 594 H ALA 14 H ALA 14 13.680 -0.034 7.279 595 HA ALA 14 HA ALA 14 13.832 -0.277 10.118 596 1HB ALA 14 1HB ALA 14 12.737 1.449 8.094 597 2HB ALA 14 2HB ALA 14 13.129 1.839 9.769 598 3HB ALA 14 3HB ALA 14 11.531 1.215 9.359 599 H THR 15 H THR 15 11.371 -1.364 7.792 600 HA THR 15 HA THR 15 9.322 -2.058 9.657 601 HB THR 15 HB THR 15 10.055 -3.394 7.033 602 HG1 THR 15 HG1 THR 15 8.692 -1.763 6.157 603 1HG2 THR 15 1HG2 THR 15 7.699 -3.404 8.836 604 2HG2 THR 15 2HG2 THR 15 7.351 -3.259 7.113 605 3HG2 THR 15 3HG2 THR 15 8.266 -4.642 7.716 606 H VAL 16 H VAL 16 12.015 -3.999 8.321 607 HA VAL 16 HA VAL 16 11.318 -6.435 9.694 608 HB VAL 16 HB VAL 16 13.901 -5.340 8.539 609 1HG1 VAL 16 1HG1 VAL 16 13.194 -7.957 9.799 610 2HG1 VAL 16 2HG1 VAL 16 14.234 -7.984 8.375 611 3HG1 VAL 16 3HG1 VAL 16 14.726 -7.084 9.810 612 1HG2 VAL 16 1HG2 VAL 16 11.660 -7.072 7.470 613 2HG2 VAL 16 2HG2 VAL 16 12.248 -5.541 6.822 614 3HG2 VAL 16 3HG2 VAL 16 13.242 -6.993 6.694 615 H VAL 17 H VAL 17 13.594 -3.789 10.465 616 HA VAL 17 HA VAL 17 14.772 -4.903 12.793 617 HB VAL 17 HB VAL 17 14.071 -2.041 12.065 618 1HG1 VAL 17 1HG1 VAL 17 15.058 -3.034 14.488 619 2HG1 VAL 17 2HG1 VAL 17 16.488 -2.464 13.630 620 3HG1 VAL 17 3HG1 VAL 17 15.143 -1.363 13.931 621 1HG2 VAL 17 1HG2 VAL 17 15.701 -3.834 10.738 622 2HG2 VAL 17 2HG2 VAL 17 15.852 -2.078 10.656 623 3HG2 VAL 17 3HG2 VAL 17 16.837 -2.997 11.796 624 H ALA 18 H ALA 18 11.831 -2.888 12.474 625 HA ALA 18 HA ALA 18 11.226 -2.745 15.268 626 1HB ALA 18 1HB ALA 18 10.319 -1.550 13.071 627 2HB ALA 18 2HB ALA 18 9.099 -2.819 13.157 628 3HB ALA 18 3HB ALA 18 9.297 -1.695 14.502 629 H ALA 19 H ALA 19 10.315 -5.099 12.756 630 HA ALA 19 HA ALA 19 8.452 -6.605 14.331 631 1HB ALA 19 1HB ALA 19 8.283 -7.627 12.322 632 2HB ALA 19 2HB ALA 19 9.595 -6.597 11.749 633 3HB ALA 19 3HB ALA 19 9.952 -8.186 12.423 634 H VAL 20 H VAL 20 11.954 -7.073 13.728 635 HA VAL 20 HA VAL 20 12.232 -9.439 15.328 636 HB VAL 20 HB VAL 20 14.143 -7.241 14.482 637 1HG1 VAL 20 1HG1 VAL 20 14.610 -9.884 15.867 638 2HG1 VAL 20 2HG1 VAL 20 15.862 -9.120 14.887 639 3HG1 VAL 20 3HG1 VAL 20 15.228 -8.293 16.310 640 1HG2 VAL 20 1HG2 VAL 20 12.898 -9.494 13.157 641 2HG2 VAL 20 2HG2 VAL 20 13.942 -8.247 12.474 642 3HG2 VAL 20 3HG2 VAL 20 14.651 -9.697 13.185 643 H ASP 21 H ASP 21 12.684 -5.977 16.090 644 HA ASP 21 HA ASP 21 13.670 -6.258 18.737 645 1HB ASP 21 1HB ASP 21 13.494 -4.194 17.271 646 2HB ASP 21 2HB ASP 21 11.780 -4.135 17.683 647 H GLN 22 H GLN 22 10.313 -6.122 17.531 648 HA GLN 22 HA GLN 22 8.984 -6.102 20.049 649 1HB GLN 22 1HB GLN 22 8.341 -6.082 17.368 650 2HB GLN 22 2HB GLN 22 7.733 -7.657 17.883 651 1HG GLN 22 1HG GLN 22 7.134 -5.080 19.357 652 2HG GLN 22 2HG GLN 22 6.072 -5.761 18.124 653 2HE2 GLN 22 2HE2 GLN 22 5.337 -5.468 20.937 654 1HE2 GLN 22 1HE2 GLN 22 5.090 -7.029 21.555 655 H ALA 23 H ALA 23 9.906 -8.861 17.958 656 HA ALA 23 HA ALA 23 8.931 -10.916 19.705 657 1HB ALA 23 1HB ALA 23 9.566 -11.032 17.248 658 2HB ALA 23 2HB ALA 23 10.198 -12.354 18.230 659 3HB ALA 23 3HB ALA 23 11.255 -11.022 17.759 660 H ARG 24 H ARG 24 12.043 -9.215 19.499 661 HA ARG 24 HA ARG 24 13.545 -10.904 21.254 662 1HB ARG 24 1HB ARG 24 14.318 -9.059 19.676 663 2HB ARG 24 2HB ARG 24 13.785 -7.904 20.899 664 1HG ARG 24 1HG ARG 24 15.457 -8.490 22.383 665 2HG ARG 24 2HG ARG 24 15.567 -10.140 21.770 666 1HD ARG 24 1HD ARG 24 17.554 -9.136 20.959 667 2HD ARG 24 2HD ARG 24 16.450 -8.988 19.577 668 HE ARG 24 HE ARG 24 16.465 -6.656 19.922 669 1HH1 ARG 24 1HH1 ARG 24 17.327 -8.369 22.798 670 2HH1 ARG 24 2HH1 ARG 24 17.641 -6.931 23.711 671 1HH2 ARG 24 1HH2 ARG 24 16.873 -4.779 21.106 672 2HH2 ARG 24 2HH2 ARG 24 17.386 -4.904 22.757 673 H VAL 25 H VAL 25 11.624 -7.955 21.916 674 HA VAL 25 HA VAL 25 12.163 -7.824 24.717 675 HB VAL 25 HB VAL 25 11.079 -6.162 23.033 676 1HG1 VAL 25 1HG1 VAL 25 9.123 -8.117 22.959 677 2HG1 VAL 25 2HG1 VAL 25 8.433 -6.912 24.046 678 3HG1 VAL 25 3HG1 VAL 25 8.922 -6.452 22.415 679 1HG2 VAL 25 1HG2 VAL 25 10.416 -6.602 25.917 680 2HG2 VAL 25 2HG2 VAL 25 11.294 -5.273 25.160 681 3HG2 VAL 25 3HG2 VAL 25 9.534 -5.345 25.048 682 H ARG 26 H ARG 26 10.122 -9.911 22.870 683 HA ARG 26 HA ARG 26 8.513 -10.733 25.204 684 1HB ARG 26 1HB ARG 26 8.360 -10.788 22.309 685 2HB ARG 26 2HB ARG 26 7.965 -12.362 23.000 686 1HG ARG 26 1HG ARG 26 6.612 -10.647 24.674 687 2HG ARG 26 2HG ARG 26 6.462 -9.837 23.113 688 1HD ARG 26 1HD ARG 26 5.939 -12.800 23.311 689 2HD ARG 26 2HD ARG 26 4.670 -11.636 23.740 690 HE ARG 26 HE ARG 26 5.589 -10.636 21.360 691 1HH1 ARG 26 1HH1 ARG 26 4.594 -13.769 22.429 692 2HH1 ARG 26 2HH1 ARG 26 4.029 -14.263 20.868 693 1HH2 ARG 26 1HH2 ARG 26 4.860 -11.272 19.320 694 2HH2 ARG 26 2HH2 ARG 26 4.184 -12.853 19.108 695 H GLU 27 H GLU 27 10.749 -12.131 22.925 696 HA GLU 27 HA GLU 27 10.939 -14.650 24.456 697 1HB GLU 27 1HB GLU 27 10.815 -14.528 21.963 698 2HB GLU 27 2HB GLU 27 12.363 -13.684 21.957 699 1HG GLU 27 1HG GLU 27 13.324 -15.666 23.221 700 2HG GLU 27 2HG GLU 27 11.811 -16.510 22.889 701 HA PRO 28 HA PRO 28 14.531 -13.052 26.500 702 1HB PRO 28 1HB PRO 28 14.888 -15.658 27.755 703 2HB PRO 28 2HB PRO 28 14.362 -14.137 28.496 704 1HG PRO 28 1HG PRO 28 12.743 -16.295 28.148 705 2HG PRO 28 2HG PRO 28 12.166 -14.624 28.243 706 1HD PRO 28 1HD PRO 28 12.525 -16.362 25.854 707 2HD PRO 28 2HD PRO 28 11.280 -15.141 26.196 708 H ARG 29 H ARG 29 16.425 -12.917 25.349 709 HA ARG 29 HA ARG 29 17.420 -14.642 23.412 710 1HB ARG 29 1HB ARG 29 19.465 -13.440 23.694 711 2HB ARG 29 2HB ARG 29 18.198 -12.325 24.204 712 1HG ARG 29 1HG ARG 29 18.580 -13.104 26.574 713 2HG ARG 29 2HG ARG 29 19.979 -14.004 25.990 714 1HD ARG 29 1HD ARG 29 20.935 -11.957 26.678 715 2HD ARG 29 2HD ARG 29 20.685 -11.690 24.941 716 HE ARG 29 HE ARG 29 18.310 -10.994 26.427 717 1HH1 ARG 29 1HH1 ARG 29 21.498 -9.963 25.583 718 2HH1 ARG 29 2HH1 ARG 29 21.142 -8.279 25.771 719 1HH2 ARG 29 1HH2 ARG 29 17.836 -8.800 26.675 720 2HH2 ARG 29 2HH2 ARG 29 19.071 -7.621 26.383 No H/Q in entry = 720
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