NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22240 | 2jn4 | 15085 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 4.747 1.142 -2.520 2 HA MET 1 HA MET 1 3.947 0.678 -0.298 3 1HB MET 1 1HB MET 1 1.251 1.217 -1.569 4 2HB MET 1 2HB MET 1 1.460 0.438 -0.007 5 1HG MET 1 1HG MET 1 2.602 2.471 0.814 6 2HG MET 1 2HG MET 1 2.272 3.247 -0.735 7 1HE MET 1 1HE MET 1 1.079 5.278 0.558 8 2HE MET 1 2HE MET 1 1.426 4.482 2.093 9 3HE MET 1 3HE MET 1 -0.206 5.045 1.741 10 H LYS 2 H LYS 2 3.074 -1.487 0.263 11 HA LYS 2 HA LYS 2 3.039 -3.288 -2.077 12 1HB LYS 2 1HB LYS 2 5.309 -3.226 -1.142 13 2HB LYS 2 2HB LYS 2 4.677 -3.626 0.449 14 1HG LYS 2 1HG LYS 2 3.872 -5.795 -0.483 15 2HG LYS 2 2HG LYS 2 4.682 -5.389 -1.999 16 1HD LYS 2 1HD LYS 2 6.833 -5.282 -0.828 17 2HD LYS 2 2HD LYS 2 6.028 -5.649 0.699 18 1HE LYS 2 1HE LYS 2 5.289 -7.816 -0.269 19 2HE LYS 2 2HE LYS 2 6.216 -7.447 -1.722 20 1HZ LYS 2 1HZ LYS 2 7.496 -8.860 -0.296 21 2HZ LYS 2 2HZ LYS 2 7.289 -7.822 1.019 22 3HZ LYS 2 3HZ LYS 2 8.214 -7.331 -0.306 23 H VAL 3 H VAL 3 1.441 -4.729 -2.033 24 HA VAL 3 HA VAL 3 0.623 -5.929 0.500 25 HB VAL 3 HB VAL 3 -1.037 -4.118 0.069 26 1HG1 VAL 3 1HG1 VAL 3 -0.945 -4.092 -2.375 27 2HG1 VAL 3 2HG1 VAL 3 -2.599 -4.300 -1.802 28 3HG1 VAL 3 3HG1 VAL 3 -1.703 -5.684 -2.429 29 1HG2 VAL 3 1HG2 VAL 3 -1.708 -6.119 1.301 30 2HG2 VAL 3 2HG2 VAL 3 -2.145 -6.918 -0.209 31 3HG2 VAL 3 3HG2 VAL 3 -3.047 -5.502 0.333 32 H MET 4 H MET 4 0.118 -8.087 0.285 33 HA MET 4 HA MET 4 0.407 -9.202 -2.432 34 1HB MET 4 1HB MET 4 2.276 -9.794 -0.956 35 2HB MET 4 2HB MET 4 1.152 -10.444 0.231 36 1HG MET 4 1HG MET 4 0.454 -12.159 -1.374 37 2HG MET 4 2HG MET 4 1.590 -11.510 -2.556 38 1HE MET 4 1HE MET 4 4.105 -10.770 -0.678 39 2HE MET 4 2HE MET 4 4.217 -11.548 -2.258 40 3HE MET 4 3HE MET 4 5.045 -12.251 -0.869 41 H ILE 5 H ILE 5 -1.536 -9.755 -3.173 42 HA ILE 5 HA ILE 5 -3.620 -10.727 -1.399 43 HB ILE 5 HB ILE 5 -3.627 -10.548 -4.428 44 1HG1 ILE 5 1HG1 ILE 5 -3.304 -8.323 -3.438 45 2HG1 ILE 5 2HG1 ILE 5 -4.913 -8.460 -4.137 46 1HG2 ILE 5 1HG2 ILE 5 -5.900 -10.881 -2.456 47 2HG2 ILE 5 2HG2 ILE 5 -5.291 -12.107 -3.568 48 3HG2 ILE 5 3HG2 ILE 5 -6.079 -10.662 -4.198 49 1HD1 ILE 5 1HD1 ILE 5 -4.984 -7.289 -2.026 50 2HD1 ILE 5 2HD1 ILE 5 -4.226 -8.657 -1.213 51 3HD1 ILE 5 3HD1 ILE 5 -5.842 -8.825 -1.902 52 H ARG 6 H ARG 6 -3.506 -12.771 -0.735 53 HA ARG 6 HA ARG 6 -2.214 -14.767 -2.451 54 1HB ARG 6 1HB ARG 6 -2.804 -14.740 0.516 55 2HB ARG 6 2HB ARG 6 -2.181 -16.152 -0.335 56 1HG ARG 6 1HG ARG 6 -0.205 -14.883 -1.017 57 2HG ARG 6 2HG ARG 6 -0.827 -13.457 -0.188 58 1HD ARG 6 1HD ARG 6 -0.622 -14.534 1.947 59 2HD ARG 6 2HD ARG 6 -0.214 -16.074 1.185 60 HE ARG 6 HE ARG 6 1.773 -14.668 0.262 61 1HH1 ARG 6 1HH1 ARG 6 0.396 -14.405 3.481 62 2HH1 ARG 6 2HH1 ARG 6 1.906 -13.937 4.205 63 1HH2 ARG 6 1HH2 ARG 6 3.725 -14.062 1.212 64 2HH2 ARG 6 2HH2 ARG 6 3.791 -13.739 2.920 65 H LYS 7 H LYS 7 -3.270 -16.596 -3.131 66 HA LYS 7 HA LYS 7 -6.197 -16.432 -2.863 67 1HB LYS 7 1HB LYS 7 -4.523 -16.431 -5.363 68 2HB LYS 7 2HB LYS 7 -6.202 -16.956 -5.387 69 1HG LYS 7 1HG LYS 7 -5.309 -14.262 -4.378 70 2HG LYS 7 2HG LYS 7 -5.826 -14.573 -6.036 71 1HD LYS 7 1HD LYS 7 -7.573 -15.271 -3.685 72 2HD LYS 7 2HD LYS 7 -7.564 -13.652 -4.379 73 1HE LYS 7 1HE LYS 7 -9.379 -14.919 -5.340 74 2HE LYS 7 2HE LYS 7 -8.164 -14.616 -6.575 75 1HZ LYS 7 1HZ LYS 7 -8.426 -17.175 -5.077 76 2HZ LYS 7 2HZ LYS 7 -7.398 -16.865 -6.387 77 3HZ LYS 7 3HZ LYS 7 -9.073 -16.890 -6.614 78 H THR 8 H THR 8 -7.337 -18.220 -3.012 79 HA THR 8 HA THR 8 -6.155 -20.664 -4.119 80 HB THR 8 HB THR 8 -8.060 -20.679 -1.750 81 HG1 THR 8 HG1 THR 8 -5.329 -20.269 -1.818 82 1HG2 THR 8 1HG2 THR 8 -6.234 -22.814 -2.878 83 2HG2 THR 8 2HG2 THR 8 -7.982 -22.739 -3.097 84 3HG2 THR 8 3HG2 THR 8 -7.306 -22.997 -1.489 85 H ALA 9 H ALA 9 -8.189 -22.182 -4.671 86 HA ALA 9 HA ALA 9 -9.850 -20.839 -6.459 87 1HB ALA 9 1HB ALA 9 -10.397 -23.481 -5.099 88 2HB ALA 9 2HB ALA 9 -9.444 -23.252 -6.565 89 3HB ALA 9 3HB ALA 9 -11.171 -22.891 -6.572 90 H THR 10 H THR 10 -10.638 -22.028 -3.192 91 HA THR 10 HA THR 10 -13.043 -20.337 -3.176 92 HB THR 10 HB THR 10 -13.629 -21.599 -1.099 93 HG1 THR 10 HG1 THR 10 -11.727 -23.558 -1.636 94 1HG2 THR 10 1HG2 THR 10 -13.026 -23.329 -3.509 95 2HG2 THR 10 2HG2 THR 10 -14.482 -22.361 -3.270 96 3HG2 THR 10 3HG2 THR 10 -14.148 -23.730 -2.209 97 H GLY 11 H GLY 11 -9.932 -20.769 -1.659 98 1HA GLY 11 1HA GLY 11 -10.432 -19.069 0.590 99 2HA GLY 11 2HA GLY 11 -8.874 -19.699 0.083 100 H HIS 12 H HIS 12 -10.091 -16.951 0.854 101 HA HIS 12 HA HIS 12 -8.550 -15.481 -1.179 102 1HB HIS 12 1HB HIS 12 -11.219 -14.580 -0.048 103 2HB HIS 12 2HB HIS 12 -10.179 -13.626 -1.095 104 HD1 HIS 12 HD1 HIS 12 -12.666 -16.403 -1.142 105 HD2 HIS 12 HD2 HIS 12 -10.203 -14.382 -3.812 106 HE1 HIS 12 HE1 HIS 12 -13.458 -17.073 -3.434 107 HE2 HIS 12 HE2 HIS 12 -12.032 -15.743 -5.035 108 H SER 13 H SER 13 -6.880 -14.638 -0.133 109 HA SER 13 HA SER 13 -7.287 -13.468 2.543 110 1HB SER 13 1HB SER 13 -4.902 -15.138 1.681 111 2HB SER 13 2HB SER 13 -5.106 -14.360 3.250 112 HG SER 13 HG SER 13 -6.123 -16.089 3.835 113 H ALA 14 H ALA 14 -6.107 -11.603 2.972 114 HA ALA 14 HA ALA 14 -4.395 -10.590 0.789 115 1HB ALA 14 1HB ALA 14 -6.624 -9.462 0.842 116 2HB ALA 14 2HB ALA 14 -5.256 -8.374 1.078 117 3HB ALA 14 3HB ALA 14 -6.231 -8.875 2.458 118 H TYR 15 H TYR 15 -2.424 -10.069 1.414 119 HA TYR 15 HA TYR 15 -1.864 -9.782 4.286 120 1HB TYR 15 1HB TYR 15 -0.670 -11.647 3.372 121 2HB TYR 15 2HB TYR 15 -0.136 -10.709 1.981 122 HD1 TYR 15 HD1 TYR 15 2.008 -9.813 2.002 123 HD2 TYR 15 HD2 TYR 15 0.131 -10.722 5.717 124 HE1 TYR 15 HE1 TYR 15 4.069 -9.202 3.188 125 HE2 TYR 15 HE2 TYR 15 2.193 -10.115 6.909 126 HH TYR 15 HH TYR 15 4.549 -9.878 6.517 127 H VAL 16 H VAL 16 -2.007 -7.662 4.711 128 HA VAL 16 HA VAL 16 -0.913 -5.609 3.025 129 HB VAL 16 HB VAL 16 -1.785 -5.443 5.927 130 1HG1 VAL 16 1HG1 VAL 16 -2.017 -3.032 5.496 131 2HG1 VAL 16 2HG1 VAL 16 -1.357 -3.262 3.877 132 3HG1 VAL 16 3HG1 VAL 16 -0.354 -3.580 5.292 133 1HG2 VAL 16 1HG2 VAL 16 -3.613 -6.220 4.505 134 2HG2 VAL 16 2HG2 VAL 16 -3.357 -4.861 3.409 135 3HG2 VAL 16 3HG2 VAL 16 -3.912 -4.572 5.058 136 H ALA 17 H ALA 17 1.244 -5.774 2.737 137 HA ALA 17 HA ALA 17 3.070 -6.968 4.449 138 1HB ALA 17 1HB ALA 17 4.807 -5.992 3.041 139 2HB ALA 17 2HB ALA 17 3.627 -4.880 2.343 140 3HB ALA 17 3HB ALA 17 3.476 -6.616 2.066 141 H LYS 18 H LYS 18 2.323 -3.514 4.086 142 HA LYS 18 HA LYS 18 4.414 -2.565 5.701 143 1HB LYS 18 1HB LYS 18 3.186 -0.435 5.741 144 2HB LYS 18 2HB LYS 18 3.290 -1.116 4.129 145 1HG LYS 18 1HG LYS 18 1.114 -0.385 4.176 146 2HG LYS 18 2HG LYS 18 0.923 -2.068 4.654 147 1HD LYS 18 1HD LYS 18 -0.456 -0.699 6.072 148 2HD LYS 18 2HD LYS 18 0.874 -1.333 7.037 149 1HE LYS 18 1HE LYS 18 0.949 1.409 5.781 150 2HE LYS 18 2HE LYS 18 0.250 1.120 7.372 151 1HZ LYS 18 1HZ LYS 18 3.063 0.590 6.574 152 2HZ LYS 18 2HZ LYS 18 2.399 0.232 8.087 153 3HZ LYS 18 3HZ LYS 18 2.521 1.835 7.577 154 H LYS 19 H LYS 19 1.507 -4.102 6.604 155 HA LYS 19 HA LYS 19 1.879 -3.201 9.391 156 1HB LYS 19 1HB LYS 19 -0.314 -2.573 8.267 157 2HB LYS 19 2HB LYS 19 -0.687 -4.291 8.213 158 1HG LYS 19 1HG LYS 19 -0.553 -4.393 10.661 159 2HG LYS 19 2HG LYS 19 -0.189 -2.668 10.710 160 1HD LYS 19 1HD LYS 19 -2.385 -2.262 9.564 161 2HD LYS 19 2HD LYS 19 -2.739 -3.980 9.763 162 1HE LYS 19 1HE LYS 19 -2.190 -2.016 11.993 163 2HE LYS 19 2HE LYS 19 -3.773 -2.635 11.532 164 1HZ LYS 19 1HZ LYS 19 -2.837 -3.788 13.458 165 2HZ LYS 19 2HZ LYS 19 -1.526 -4.308 12.528 166 3HZ LYS 19 3HZ LYS 19 -3.086 -4.843 12.163 167 H ASP 20 H ASP 20 2.230 -5.724 7.262 168 HA ASP 20 HA ASP 20 2.573 -7.959 7.401 169 1HB ASP 20 1HB ASP 20 4.113 -7.053 9.293 170 2HB ASP 20 2HB ASP 20 2.893 -7.682 10.394 171 H LEU 21 H LEU 21 -0.066 -6.851 7.643 172 HA LEU 21 HA LEU 21 -1.479 -8.698 9.434 173 1HB LEU 21 1HB LEU 21 -2.196 -6.423 9.664 174 2HB LEU 21 2HB LEU 21 -2.341 -6.227 7.927 175 HG LEU 21 HG LEU 21 -4.217 -7.915 7.976 176 1HD1 LEU 21 1HD1 LEU 21 -4.019 -7.513 10.958 177 2HD1 LEU 21 2HD1 LEU 21 -3.691 -9.007 10.078 178 3HD1 LEU 21 3HD1 LEU 21 -5.325 -8.344 10.109 179 1HD2 LEU 21 1HD2 LEU 21 -5.889 -6.322 8.804 180 2HD2 LEU 21 2HD2 LEU 21 -4.666 -5.526 7.816 181 3HD2 LEU 21 3HD2 LEU 21 -4.611 -5.380 9.574 182 H GLU 22 H GLU 22 -1.961 -10.599 8.528 183 HA GLU 22 HA GLU 22 -3.012 -10.607 5.771 184 1HB GLU 22 1HB GLU 22 -1.068 -12.113 6.126 185 2HB GLU 22 2HB GLU 22 -1.959 -12.943 7.398 186 1HG GLU 22 1HG GLU 22 -3.700 -13.517 5.685 187 2HG GLU 22 2HG GLU 22 -2.619 -12.861 4.458 188 H GLU 23 H GLU 23 -5.169 -10.727 5.655 189 HA GLU 23 HA GLU 23 -6.620 -12.121 7.800 190 1HB GLU 23 1HB GLU 23 -6.588 -9.626 8.187 191 2HB GLU 23 2HB GLU 23 -7.476 -9.447 6.680 192 1HG GLU 23 1HG GLU 23 -8.925 -9.345 8.658 193 2HG GLU 23 2HG GLU 23 -9.348 -10.662 7.565 194 H LEU 24 H LEU 24 -8.791 -12.705 7.233 195 HA LEU 24 HA LEU 24 -8.939 -13.769 4.571 196 1HB LEU 24 1HB LEU 24 -10.980 -13.815 6.806 197 2HB LEU 24 2HB LEU 24 -11.039 -14.784 5.344 198 HG LEU 24 HG LEU 24 -8.935 -14.996 7.509 199 1HD1 LEU 24 1HD1 LEU 24 -9.959 -17.160 7.998 200 2HD1 LEU 24 2HD1 LEU 24 -11.208 -16.850 6.794 201 3HD1 LEU 24 3HD1 LEU 24 -11.103 -15.840 8.236 202 1HD2 LEU 24 1HD2 LEU 24 -8.004 -15.522 5.324 203 2HD2 LEU 24 2HD2 LEU 24 -9.340 -16.626 4.997 204 3HD2 LEU 24 3HD2 LEU 24 -8.188 -16.991 6.282 205 H ILE 25 H ILE 25 -10.272 -13.181 2.938 206 HA ILE 25 HA ILE 25 -11.426 -10.530 3.014 207 HB ILE 25 HB ILE 25 -11.232 -12.605 0.822 208 1HG1 ILE 25 1HG1 ILE 25 -9.811 -9.956 1.239 209 2HG1 ILE 25 2HG1 ILE 25 -9.105 -11.547 1.498 210 1HG2 ILE 25 1HG2 ILE 25 -12.342 -9.801 0.671 211 2HG2 ILE 25 2HG2 ILE 25 -13.242 -11.302 0.456 212 3HG2 ILE 25 3HG2 ILE 25 -12.010 -10.839 -0.717 213 1HD1 ILE 25 1HD1 ILE 25 -8.377 -10.585 -0.603 214 2HD1 ILE 25 2HD1 ILE 25 -10.051 -10.442 -1.138 215 3HD1 ILE 25 3HD1 ILE 25 -9.338 -12.036 -0.881 216 H VAL 26 H VAL 26 -13.361 -10.266 3.913 217 HA VAL 26 HA VAL 26 -15.360 -12.417 3.724 218 HB VAL 26 HB VAL 26 -16.536 -11.271 5.564 219 1HG1 VAL 26 1HG1 VAL 26 -13.622 -11.831 6.137 220 2HG1 VAL 26 2HG1 VAL 26 -14.921 -13.022 6.083 221 3HG1 VAL 26 3HG1 VAL 26 -14.916 -11.781 7.335 222 1HG2 VAL 26 1HG2 VAL 26 -15.453 -9.422 6.771 223 2HG2 VAL 26 2HG2 VAL 26 -15.841 -8.970 5.112 224 3HG2 VAL 26 3HG2 VAL 26 -14.180 -9.369 5.550 225 H GLU 27 H GLU 27 -14.682 -9.199 2.680 226 HA GLU 27 HA GLU 27 -17.301 -9.066 1.340 227 1HB GLU 27 1HB GLU 27 -17.452 -7.591 3.270 228 2HB GLU 27 2HB GLU 27 -15.927 -6.836 2.853 229 1HG GLU 27 1HG GLU 27 -17.673 -5.342 2.246 230 2HG GLU 27 2HG GLU 27 -16.976 -5.987 0.762 231 H MET 28 H MET 28 -17.199 -8.420 -0.764 232 HA MET 28 HA MET 28 -14.564 -7.579 -1.811 233 1HB MET 28 1HB MET 28 -16.384 -9.478 -3.303 234 2HB MET 28 2HB MET 28 -14.695 -9.112 -3.621 235 1HG MET 28 1HG MET 28 -14.791 -11.297 -2.725 236 2HG MET 28 2HG MET 28 -14.134 -10.254 -1.465 237 1HE MET 28 1HE MET 28 -15.372 -13.238 -1.036 238 2HE MET 28 2HE MET 28 -16.243 -12.991 0.477 239 3HE MET 28 3HE MET 28 -14.640 -12.290 0.259 240 H GLU 29 H GLU 29 -14.637 -6.239 -3.672 241 HA GLU 29 HA GLU 29 -16.973 -4.721 -4.205 242 1HB GLU 29 1HB GLU 29 -14.610 -4.010 -4.719 243 2HB GLU 29 2HB GLU 29 -14.593 -5.175 -6.034 244 1HG GLU 29 1HG GLU 29 -15.043 -3.111 -7.043 245 2HG GLU 29 2HG GLU 29 -16.600 -3.934 -6.972 246 H ASN 30 H ASN 30 -15.324 -7.292 -5.961 247 HA ASN 30 HA ASN 30 -17.793 -7.941 -7.445 248 1HB ASN 30 1HB ASN 30 -15.952 -7.174 -8.883 249 2HB ASN 30 2HB ASN 30 -14.880 -8.373 -8.181 250 1HD2 ASN 30 1HD2 ASN 30 -14.415 -9.319 -10.120 251 2HD2 ASN 30 2HD2 ASN 30 -15.559 -10.272 -11.003 252 HA PRO 31 HA PRO 31 -18.253 -11.709 -5.100 253 1HB PRO 31 1HB PRO 31 -18.604 -13.288 -7.481 254 2HB PRO 31 2HB PRO 31 -19.846 -12.686 -6.381 255 1HG PRO 31 1HG PRO 31 -18.842 -11.517 -8.929 256 2HG PRO 31 2HG PRO 31 -20.463 -11.421 -8.207 257 1HD PRO 31 1HD PRO 31 -18.859 -9.311 -8.182 258 2HD PRO 31 2HD PRO 31 -19.807 -9.703 -6.732 259 H ALA 32 H ALA 32 -16.113 -11.650 -7.921 260 HA ALA 32 HA ALA 32 -14.573 -13.925 -7.138 261 1HB ALA 32 1HB ALA 32 -13.875 -11.636 -8.984 262 2HB ALA 32 2HB ALA 32 -14.588 -13.181 -9.454 263 3HB ALA 32 3HB ALA 32 -12.947 -13.126 -8.806 264 H LEU 33 H LEU 33 -13.559 -10.511 -7.318 265 HA LEU 33 HA LEU 33 -12.785 -10.135 -4.687 266 1HB LEU 33 1HB LEU 33 -11.179 -12.050 -5.499 267 2HB LEU 33 2HB LEU 33 -10.327 -10.752 -6.308 268 HG LEU 33 HG LEU 33 -10.824 -10.874 -3.322 269 1HD1 LEU 33 1HD1 LEU 33 -8.444 -11.407 -3.139 270 2HD1 LEU 33 2HD1 LEU 33 -8.326 -11.486 -4.898 271 3HD1 LEU 33 3HD1 LEU 33 -9.325 -12.650 -4.027 272 1HD2 LEU 33 1HD2 LEU 33 -9.090 -9.017 -4.960 273 2HD2 LEU 33 2HD2 LEU 33 -9.161 -9.070 -3.198 274 3HD2 LEU 33 3HD2 LEU 33 -10.580 -8.583 -4.122 275 H TRP 34 H TRP 34 -10.980 -9.631 -7.715 276 HA TRP 34 HA TRP 34 -10.367 -6.929 -7.092 277 1HB TRP 34 1HB TRP 34 -10.150 -8.415 -9.721 278 2HB TRP 34 2HB TRP 34 -9.435 -6.842 -9.390 279 HD1 TRP 34 HD1 TRP 34 -9.221 -10.438 -7.938 280 HE1 TRP 34 HE1 TRP 34 -6.793 -10.859 -7.231 281 HE3 TRP 34 HE3 TRP 34 -7.262 -5.844 -8.999 282 HZ2 TRP 34 HZ2 TRP 34 -4.373 -9.433 -7.107 283 HZ3 TRP 34 HZ3 TRP 34 -4.875 -5.454 -8.555 284 HH2 TRP 34 HH2 TRP 34 -3.461 -7.216 -7.628 285 H GLY 35 H GLY 35 -10.885 -5.059 -8.409 286 1HA GLY 35 1HA GLY 35 -12.554 -4.554 -10.368 287 2HA GLY 35 2HA GLY 35 -13.723 -5.012 -9.133 288 H GLY 36 H GLY 36 -12.617 -3.914 -6.881 289 1HA GLY 36 1HA GLY 36 -11.930 -1.147 -7.355 290 2HA GLY 36 2HA GLY 36 -13.549 -1.387 -6.703 291 H LYS 37 H LYS 37 -13.763 -2.326 -4.586 292 HA LYS 37 HA LYS 37 -11.275 -2.164 -3.007 293 1HB LYS 37 1HB LYS 37 -12.758 -1.418 -1.086 294 2HB LYS 37 2HB LYS 37 -12.511 -0.260 -2.379 295 1HG LYS 37 1HG LYS 37 -14.783 -0.088 -1.814 296 2HG LYS 37 2HG LYS 37 -14.744 -1.004 -3.316 297 1HD LYS 37 1HD LYS 37 -16.364 -1.958 -1.769 298 2HD LYS 37 2HD LYS 37 -15.043 -3.090 -2.050 299 1HE LYS 37 1HE LYS 37 -14.052 -2.538 0.081 300 2HE LYS 37 2HE LYS 37 -15.233 -1.254 0.343 301 1HZ LYS 37 1HZ LYS 37 -16.964 -2.846 0.548 302 2HZ LYS 37 2HZ LYS 37 -15.704 -3.364 1.550 303 3HZ LYS 37 3HZ LYS 37 -15.964 -4.114 0.055 304 H VAL 38 H VAL 38 -11.130 -3.458 -1.126 305 HA VAL 38 HA VAL 38 -13.065 -5.659 -0.888 306 HB VAL 38 HB VAL 38 -10.967 -6.392 -2.132 307 1HG1 VAL 38 1HG1 VAL 38 -9.670 -5.991 0.568 308 2HG1 VAL 38 2HG1 VAL 38 -9.332 -5.061 -0.893 309 3HG1 VAL 38 3HG1 VAL 38 -8.934 -6.779 -0.830 310 1HG2 VAL 38 1HG2 VAL 38 -10.733 -8.477 -0.865 311 2HG2 VAL 38 2HG2 VAL 38 -12.421 -7.991 -1.026 312 3HG2 VAL 38 3HG2 VAL 38 -11.572 -7.737 0.499 313 H THR 39 H THR 39 -13.274 -6.452 1.269 314 HA THR 39 HA THR 39 -11.923 -4.807 3.312 315 HB THR 39 HB THR 39 -14.784 -5.770 3.517 316 HG1 THR 39 HG1 THR 39 -14.943 -3.248 3.349 317 1HG2 THR 39 1HG2 THR 39 -13.653 -5.404 5.666 318 2HG2 THR 39 2HG2 THR 39 -14.910 -4.197 5.392 319 3HG2 THR 39 3HG2 THR 39 -13.213 -3.773 5.157 320 H LEU 40 H LEU 40 -10.880 -5.928 4.783 321 HA LEU 40 HA LEU 40 -10.985 -8.815 4.766 322 1HB LEU 40 1HB LEU 40 -9.316 -6.884 6.393 323 2HB LEU 40 2HB LEU 40 -9.145 -8.626 6.438 324 HG LEU 40 HG LEU 40 -7.412 -7.931 5.046 325 1HD1 LEU 40 1HD1 LEU 40 -8.565 -9.776 4.053 326 2HD1 LEU 40 2HD1 LEU 40 -8.041 -8.688 2.769 327 3HD1 LEU 40 3HD1 LEU 40 -9.726 -8.702 3.276 328 1HD2 LEU 40 1HD2 LEU 40 -8.061 -5.609 4.763 329 2HD2 LEU 40 2HD2 LEU 40 -9.344 -6.078 3.645 330 3HD2 LEU 40 3HD2 LEU 40 -7.654 -6.325 3.203 331 H ALA 41 H ALA 41 -10.987 -9.986 6.889 332 HA ALA 41 HA ALA 41 -13.424 -9.504 8.246 333 1HB ALA 41 1HB ALA 41 -11.138 -11.314 9.041 334 2HB ALA 41 2HB ALA 41 -12.478 -11.747 7.980 335 3HB ALA 41 3HB ALA 41 -12.782 -11.381 9.678 336 H ASN 42 H ASN 42 -10.421 -8.061 8.611 337 HA ASN 42 HA ASN 42 -10.665 -7.516 11.457 338 1HB ASN 42 1HB ASN 42 -8.438 -7.957 10.521 339 2HB ASN 42 2HB ASN 42 -8.614 -6.596 9.419 340 1HD2 ASN 42 1HD2 ASN 42 -8.242 -7.541 12.765 341 2HD2 ASN 42 2HD2 ASN 42 -7.669 -6.009 13.334 342 H GLY 43 H GLY 43 -11.778 -6.177 8.556 343 1HA GLY 43 1HA GLY 43 -13.361 -4.391 8.579 344 2HA GLY 43 2HA GLY 43 -12.529 -3.700 9.964 345 H TRP 44 H TRP 44 -9.981 -4.427 8.283 346 HA TRP 44 HA TRP 44 -9.590 -1.839 7.181 347 1HB TRP 44 1HB TRP 44 -7.988 -4.337 7.375 348 2HB TRP 44 2HB TRP 44 -7.551 -3.232 6.077 349 HD1 TRP 44 HD1 TRP 44 -8.446 -2.614 9.815 350 HE1 TRP 44 HE1 TRP 44 -6.623 -1.095 10.817 351 HE3 TRP 44 HE3 TRP 44 -5.451 -2.129 5.703 352 HZ2 TRP 44 HZ2 TRP 44 -4.229 0.140 9.972 353 HZ3 TRP 44 HZ3 TRP 44 -3.413 -0.760 5.880 354 HH2 TRP 44 HH2 TRP 44 -2.815 0.351 7.972 355 H GLN 45 H GLN 45 -9.591 -1.131 5.113 356 HA GLN 45 HA GLN 45 -10.698 -2.958 3.068 357 1HB GLN 45 1HB GLN 45 -10.871 0.067 3.127 358 2HB GLN 45 2HB GLN 45 -11.658 -1.008 1.979 359 1HG GLN 45 1HG GLN 45 -13.035 -1.925 3.788 360 2HG GLN 45 2HG GLN 45 -12.248 -0.834 4.932 361 1HE2 GLN 45 1HE2 GLN 45 -12.611 1.414 4.731 362 2HE2 GLN 45 2HE2 GLN 45 -14.017 2.025 3.929 363 H LEU 46 H LEU 46 -9.584 -3.224 1.206 364 HA LEU 46 HA LEU 46 -7.222 -1.524 0.715 365 1HB LEU 46 1HB LEU 46 -6.888 -3.969 1.651 366 2HB LEU 46 2HB LEU 46 -7.249 -4.450 0.008 367 HG LEU 46 HG LEU 46 -4.824 -4.363 0.484 368 1HD1 LEU 46 1HD1 LEU 46 -5.602 -4.040 -1.810 369 2HD1 LEU 46 2HD1 LEU 46 -4.128 -3.132 -1.481 370 3HD1 LEU 46 3HD1 LEU 46 -5.681 -2.299 -1.538 371 1HD2 LEU 46 1HD2 LEU 46 -5.258 -1.395 0.836 372 2HD2 LEU 46 2HD2 LEU 46 -3.699 -2.219 0.785 373 3HD2 LEU 46 3HD2 LEU 46 -4.822 -2.543 2.103 374 H GLU 47 H GLU 47 -6.975 -0.871 -1.402 375 HA GLU 47 HA GLU 47 -9.233 -1.383 -3.164 376 1HB GLU 47 1HB GLU 47 -8.305 0.947 -2.714 377 2HB GLU 47 2HB GLU 47 -6.910 0.482 -3.678 378 1HG GLU 47 1HG GLU 47 -8.367 0.056 -5.598 379 2HG GLU 47 2HG GLU 47 -9.769 0.521 -4.635 380 H LEU 48 H LEU 48 -9.150 -2.440 -5.052 381 HA LEU 48 HA LEU 48 -6.619 -3.693 -5.849 382 1HB LEU 48 1HB LEU 48 -9.478 -4.482 -6.445 383 2HB LEU 48 2HB LEU 48 -8.078 -5.269 -7.143 384 HG LEU 48 HG LEU 48 -8.843 -6.662 -5.386 385 1HD1 LEU 48 1HD1 LEU 48 -6.954 -6.733 -3.852 386 2HD1 LEU 48 2HD1 LEU 48 -6.475 -5.109 -4.348 387 3HD1 LEU 48 3HD1 LEU 48 -6.418 -6.438 -5.507 388 1HD2 LEU 48 1HD2 LEU 48 -9.172 -5.902 -3.090 389 2HD2 LEU 48 2HD2 LEU 48 -10.234 -5.047 -4.206 390 3HD2 LEU 48 3HD2 LEU 48 -8.794 -4.249 -3.574 391 HA PRO 49 HA PRO 49 -6.653 -0.850 -9.360 392 1HB PRO 49 1HB PRO 49 -4.659 -2.814 -10.382 393 2HB PRO 49 2HB PRO 49 -4.532 -1.058 -10.225 394 1HG PRO 49 1HG PRO 49 -3.246 -2.668 -8.535 395 2HG PRO 49 2HG PRO 49 -3.999 -1.164 -7.966 396 1HD PRO 49 1HD PRO 49 -4.965 -3.989 -7.696 397 2HD PRO 49 2HD PRO 49 -5.029 -2.656 -6.522 398 H ALA 50 H ALA 50 -7.654 -4.059 -9.245 399 HA ALA 50 HA ALA 50 -9.124 -5.256 -10.464 400 1HB ALA 50 1HB ALA 50 -10.293 -3.133 -10.855 401 2HB ALA 50 2HB ALA 50 -10.420 -4.222 -12.237 402 3HB ALA 50 3HB ALA 50 -9.303 -2.857 -12.288 403 H MET 51 H MET 51 -7.549 -6.765 -10.972 404 HA MET 51 HA MET 51 -7.290 -7.192 -13.786 405 1HB MET 51 1HB MET 51 -4.876 -7.368 -13.922 406 2HB MET 51 2HB MET 51 -5.296 -5.755 -13.372 407 1HG MET 51 1HG MET 51 -4.776 -6.445 -11.058 408 2HG MET 51 2HG MET 51 -4.270 -8.020 -11.673 409 1HE MET 51 1HE MET 51 -2.951 -6.954 -14.501 410 2HE MET 51 2HE MET 51 -2.266 -8.255 -13.529 411 3HE MET 51 3HE MET 51 -1.254 -6.897 -14.021 412 H ALA 52 H ALA 52 -7.471 -9.322 -14.145 413 HA ALA 52 HA ALA 52 -7.986 -11.487 -13.696 414 1HB ALA 52 1HB ALA 52 -5.562 -11.697 -13.456 415 2HB ALA 52 2HB ALA 52 -6.395 -12.766 -12.326 416 3HB ALA 52 3HB ALA 52 -5.679 -11.259 -11.750 417 H ALA 53 H ALA 53 -10.024 -10.869 -12.861 418 HA ALA 53 HA ALA 53 -10.639 -9.779 -10.433 419 1HB ALA 53 1HB ALA 53 -12.903 -10.622 -10.730 420 2HB ALA 53 2HB ALA 53 -12.331 -11.794 -11.918 421 3HB ALA 53 3HB ALA 53 -12.245 -10.068 -12.270 422 H ASP 54 H ASP 54 -10.337 -13.255 -11.112 423 HA ASP 54 HA ASP 54 -9.846 -13.585 -8.224 424 1HB ASP 54 1HB ASP 54 -11.977 -14.712 -8.930 425 2HB ASP 54 2HB ASP 54 -11.033 -15.719 -10.024 426 H THR 55 H THR 55 -7.691 -13.368 -8.350 427 HA THR 55 HA THR 55 -6.018 -14.410 -10.345 428 HB THR 55 HB THR 55 -5.057 -13.970 -7.526 429 HG1 THR 55 HG1 THR 55 -6.033 -11.995 -9.344 430 1HG2 THR 55 1HG2 THR 55 -3.942 -13.203 -10.236 431 2HG2 THR 55 2HG2 THR 55 -3.422 -14.578 -9.261 432 3HG2 THR 55 3HG2 THR 55 -3.151 -12.934 -8.681 433 HA PRO 56 HA PRO 56 -5.958 -18.681 -8.934 434 1HB PRO 56 1HB PRO 56 -4.387 -19.715 -10.835 435 2HB PRO 56 2HB PRO 56 -6.003 -19.107 -11.222 436 1HG PRO 56 1HG PRO 56 -3.340 -17.778 -11.607 437 2HG PRO 56 2HG PRO 56 -4.719 -17.858 -12.719 438 1HD PRO 56 1HD PRO 56 -4.169 -15.701 -11.091 439 2HD PRO 56 2HD PRO 56 -5.786 -16.094 -11.709 440 H LEU 57 H LEU 57 -3.492 -16.484 -8.611 441 HA LEU 57 HA LEU 57 -1.891 -18.318 -7.017 442 1HB LEU 57 1HB LEU 57 0.228 -17.456 -8.084 443 2HB LEU 57 2HB LEU 57 -0.730 -18.539 -9.071 444 HG LEU 57 HG LEU 57 -1.653 -16.456 -10.233 445 1HD1 LEU 57 1HD1 LEU 57 -0.249 -14.446 -10.157 446 2HD1 LEU 57 2HD1 LEU 57 0.691 -15.155 -8.843 447 3HD1 LEU 57 3HD1 LEU 57 -1.015 -14.773 -8.603 448 1HD2 LEU 57 1HD2 LEU 57 -0.033 -17.940 -11.279 449 2HD2 LEU 57 2HD2 LEU 57 1.290 -17.080 -10.492 450 3HD2 LEU 57 3HD2 LEU 57 0.298 -16.261 -11.699 451 HA PRO 58 HA PRO 58 -1.396 -14.764 -4.377 452 1HB PRO 58 1HB PRO 58 1.196 -14.996 -3.527 453 2HB PRO 58 2HB PRO 58 -0.121 -16.007 -2.918 454 1HG PRO 58 1HG PRO 58 1.919 -16.628 -5.028 455 2HG PRO 58 2HG PRO 58 1.332 -17.653 -3.703 456 1HD PRO 58 1HD PRO 58 0.426 -17.940 -6.224 457 2HD PRO 58 2HD PRO 58 -0.629 -18.194 -4.818 458 H ILE 59 H ILE 59 -1.421 -12.844 -5.354 459 HA ILE 59 HA ILE 59 0.833 -12.065 -7.090 460 HB ILE 59 HB ILE 59 -1.289 -12.123 -8.264 461 1HG1 ILE 59 1HG1 ILE 59 -0.442 -9.262 -7.705 462 2HG1 ILE 59 2HG1 ILE 59 0.285 -10.339 -8.893 463 1HG2 ILE 59 1HG2 ILE 59 -3.193 -10.754 -7.623 464 2HG2 ILE 59 2HG2 ILE 59 -2.320 -10.167 -6.208 465 3HG2 ILE 59 3HG2 ILE 59 -2.768 -11.869 -6.326 466 1HD1 ILE 59 1HD1 ILE 59 -1.201 -8.752 -9.954 467 2HD1 ILE 59 2HD1 ILE 59 -2.539 -9.295 -8.942 468 3HD1 ILE 59 3HD1 ILE 59 -1.827 -10.392 -10.127 469 H THR 60 H THR 60 1.881 -10.129 -6.754 470 HA THR 60 HA THR 60 1.248 -8.731 -4.233 471 HB THR 60 HB THR 60 3.905 -8.783 -5.696 472 HG1 THR 60 HG1 THR 60 2.928 -10.794 -4.535 473 1HG2 THR 60 1HG2 THR 60 4.792 -7.890 -3.577 474 2HG2 THR 60 2HG2 THR 60 3.158 -7.839 -2.916 475 3HG2 THR 60 3HG2 THR 60 3.591 -6.806 -4.279 476 H VAL 61 H VAL 61 0.260 -6.858 -4.543 477 HA VAL 61 HA VAL 61 1.054 -5.145 -6.810 478 HB VAL 61 HB VAL 61 -1.287 -4.274 -6.869 479 1HG1 VAL 61 1HG1 VAL 61 -1.018 -7.238 -7.402 480 2HG1 VAL 61 2HG1 VAL 61 -0.545 -5.938 -8.496 481 3HG1 VAL 61 3HG1 VAL 61 -2.245 -6.172 -8.090 482 1HG2 VAL 61 1HG2 VAL 61 -1.868 -6.606 -5.028 483 2HG2 VAL 61 2HG2 VAL 61 -3.084 -5.605 -5.823 484 3HG2 VAL 61 3HG2 VAL 61 -2.004 -4.894 -4.622 485 H GLU 62 H GLU 62 0.058 -2.797 -6.284 486 HA GLU 62 HA GLU 62 1.447 -1.987 -3.917 487 1HB GLU 62 1HB GLU 62 0.943 0.257 -4.547 488 2HB GLU 62 2HB GLU 62 1.351 -0.626 -6.008 489 1HG GLU 62 1HG GLU 62 -0.924 -0.717 -6.692 490 2HG GLU 62 2HG GLU 62 -1.481 -0.114 -5.130 491 H ALA 63 H ALA 63 0.621 -1.066 -2.054 492 HA ALA 63 HA ALA 63 -2.074 -1.914 -1.349 493 1HB ALA 63 1HB ALA 63 -0.215 -2.432 0.179 494 2HB ALA 63 2HB ALA 63 -1.432 -1.412 0.946 495 3HB ALA 63 3HB ALA 63 0.087 -0.707 0.389 496 H ARG 64 H ARG 64 -3.746 -0.574 -1.281 497 HA ARG 64 HA ARG 64 -3.352 2.229 -0.574 498 1HB ARG 64 1HB ARG 64 -3.380 2.096 -3.079 499 2HB ARG 64 2HB ARG 64 -4.978 1.380 -2.993 500 1HG ARG 64 1HG ARG 64 -5.986 3.365 -2.363 501 2HG ARG 64 2HG ARG 64 -4.490 4.042 -1.714 502 1HD ARG 64 1HD ARG 64 -5.192 5.127 -3.818 503 2HD ARG 64 2HD ARG 64 -3.612 4.356 -3.944 504 HE ARG 64 HE ARG 64 -6.088 3.124 -4.984 505 1HH1 ARG 64 1HH1 ARG 64 -2.703 3.964 -5.351 506 2HH1 ARG 64 2HH1 ARG 64 -2.553 3.199 -6.899 507 1HH2 ARG 64 1HH2 ARG 64 -5.900 2.148 -7.026 508 2HH2 ARG 64 2HH2 ARG 64 -4.379 2.171 -7.865 509 H LYS 65 H LYS 65 -4.425 2.110 1.327 510 HA LYS 65 HA LYS 65 -6.756 0.397 1.534 511 1HB LYS 65 1HB LYS 65 -6.525 0.625 3.902 512 2HB LYS 65 2HB LYS 65 -4.938 0.328 3.234 513 1HG LYS 65 1HG LYS 65 -4.467 1.958 4.777 514 2HG LYS 65 2HG LYS 65 -4.722 2.937 3.333 515 1HD LYS 65 1HD LYS 65 -5.858 3.911 5.271 516 2HD LYS 65 2HD LYS 65 -7.022 3.403 4.049 517 1HE LYS 65 1HE LYS 65 -7.340 1.283 5.350 518 2HE LYS 65 2HE LYS 65 -6.323 1.972 6.614 519 1HZ LYS 65 1HZ LYS 65 -8.702 2.258 7.044 520 2HZ LYS 65 2HZ LYS 65 -8.855 3.172 5.630 521 3HZ LYS 65 3HZ LYS 65 -7.907 3.746 6.906 522 H LEU 66 H LEU 66 -8.738 1.109 2.463 523 HA LEU 66 HA LEU 66 -9.358 3.914 1.814 524 1HB LEU 66 1HB LEU 66 -11.201 1.517 2.021 525 2HB LEU 66 2HB LEU 66 -11.721 3.156 1.682 526 HG LEU 66 HG LEU 66 -10.285 3.069 -0.412 527 1HD1 LEU 66 1HD1 LEU 66 -10.213 0.123 0.242 528 2HD1 LEU 66 2HD1 LEU 66 -8.831 1.217 0.182 529 3HD1 LEU 66 3HD1 LEU 66 -9.727 0.848 -1.290 530 1HD2 LEU 66 1HD2 LEU 66 -11.940 1.796 -1.688 531 2HD2 LEU 66 2HD2 LEU 66 -12.707 2.843 -0.496 532 3HD2 LEU 66 3HD2 LEU 66 -12.572 1.112 -0.190 Start of MODEL 2 1 H MET 1 H MET 1 2.957 0.341 0.978 2 HA MET 1 HA MET 1 1.409 1.279 -0.538 3 1HB MET 1 1HB MET 1 2.193 2.165 -2.731 4 2HB MET 1 2HB MET 1 2.702 3.141 -1.362 5 1HG MET 1 1HG MET 1 4.929 2.098 -1.474 6 2HG MET 1 2HG MET 1 4.411 1.186 -2.891 7 1HE MET 1 1HE MET 1 6.603 2.207 -4.133 8 2HE MET 1 2HE MET 1 6.999 3.176 -2.714 9 3HE MET 1 3HE MET 1 6.896 3.938 -4.301 10 H LYS 2 H LYS 2 2.835 -1.267 0.069 11 HA LYS 2 HA LYS 2 2.130 -2.673 -2.412 12 1HB LYS 2 1HB LYS 2 4.480 -3.129 -0.569 13 2HB LYS 2 2HB LYS 2 3.895 -4.365 -1.663 14 1HG LYS 2 1HG LYS 2 4.365 -2.949 -3.578 15 2HG LYS 2 2HG LYS 2 4.860 -1.640 -2.503 16 1HD LYS 2 1HD LYS 2 6.813 -2.783 -3.403 17 2HD LYS 2 2HD LYS 2 6.703 -3.036 -1.662 18 1HE LYS 2 1HE LYS 2 5.742 -5.257 -2.042 19 2HE LYS 2 2HE LYS 2 5.828 -5.002 -3.783 20 1HZ LYS 2 1HZ LYS 2 8.240 -4.822 -3.584 21 2HZ LYS 2 2HZ LYS 2 7.685 -6.317 -3.019 22 3HZ LYS 2 3HZ LYS 2 8.137 -5.113 -1.921 23 H VAL 3 H VAL 3 0.923 -4.518 -2.157 24 HA VAL 3 HA VAL 3 0.620 -5.746 0.460 25 HB VAL 3 HB VAL 3 -1.142 -4.016 0.470 26 1HG1 VAL 3 1HG1 VAL 3 -3.019 -4.120 -1.099 27 2HG1 VAL 3 2HG1 VAL 3 -2.219 -5.423 -1.979 28 3HG1 VAL 3 3HG1 VAL 3 -1.499 -3.813 -1.938 29 1HG2 VAL 3 1HG2 VAL 3 -2.221 -6.831 0.210 30 2HG2 VAL 3 2HG2 VAL 3 -3.048 -5.484 0.991 31 3HG2 VAL 3 3HG2 VAL 3 -1.542 -6.106 1.667 32 H MET 4 H MET 4 0.136 -7.923 0.307 33 HA MET 4 HA MET 4 0.132 -8.997 -2.438 34 1HB MET 4 1HB MET 4 2.034 -9.648 -0.992 35 2HB MET 4 2HB MET 4 0.909 -10.354 0.160 36 1HG MET 4 1HG MET 4 0.194 -11.979 -1.522 37 2HG MET 4 2HG MET 4 1.307 -11.266 -2.688 38 1HE MET 4 1HE MET 4 4.779 -12.043 -0.986 39 2HE MET 4 2HE MET 4 3.792 -10.608 -0.717 40 3HE MET 4 3HE MET 4 3.973 -11.261 -2.345 41 H ILE 5 H ILE 5 -1.673 -9.882 -3.183 42 HA ILE 5 HA ILE 5 -3.831 -10.573 -1.314 43 HB ILE 5 HB ILE 5 -3.901 -10.416 -4.341 44 1HG1 ILE 5 1HG1 ILE 5 -3.422 -8.217 -3.375 45 2HG1 ILE 5 2HG1 ILE 5 -5.057 -8.256 -4.019 46 1HG2 ILE 5 1HG2 ILE 5 -6.140 -10.614 -2.318 47 2HG2 ILE 5 2HG2 ILE 5 -5.633 -11.872 -3.446 48 3HG2 ILE 5 3HG2 ILE 5 -6.348 -10.379 -4.054 49 1HD1 ILE 5 1HD1 ILE 5 -4.291 -8.495 -1.118 50 2HD1 ILE 5 2HD1 ILE 5 -5.935 -8.555 -1.755 51 3HD1 ILE 5 3HD1 ILE 5 -4.982 -7.079 -1.908 52 H ARG 6 H ARG 6 -4.373 -12.649 -0.899 53 HA ARG 6 HA ARG 6 -2.824 -14.743 -2.247 54 1HB ARG 6 1HB ARG 6 -4.455 -14.895 0.301 55 2HB ARG 6 2HB ARG 6 -3.448 -16.179 -0.353 56 1HG ARG 6 1HG ARG 6 -1.500 -14.541 -0.135 57 2HG ARG 6 2HG ARG 6 -2.587 -13.558 0.847 58 1HD ARG 6 1HD ARG 6 -1.215 -14.973 2.273 59 2HD ARG 6 2HD ARG 6 -2.905 -15.474 2.373 60 HE ARG 6 HE ARG 6 -2.034 -17.128 0.488 61 1HH1 ARG 6 1HH1 ARG 6 -0.587 -16.297 3.576 62 2HH1 ARG 6 2HH1 ARG 6 0.292 -17.790 3.696 63 1HH2 ARG 6 1HH2 ARG 6 -0.881 -19.072 0.649 64 2HH2 ARG 6 2HH2 ARG 6 0.145 -19.360 2.023 65 H LYS 7 H LYS 7 -3.722 -16.010 -3.701 66 HA LYS 7 HA LYS 7 -6.620 -15.985 -4.064 67 1HB LYS 7 1HB LYS 7 -4.338 -16.898 -5.832 68 2HB LYS 7 2HB LYS 7 -6.031 -17.139 -6.250 69 1HG LYS 7 1HG LYS 7 -4.856 -14.429 -5.663 70 2HG LYS 7 2HG LYS 7 -4.909 -15.126 -7.282 71 1HD LYS 7 1HD LYS 7 -7.432 -14.998 -5.679 72 2HD LYS 7 2HD LYS 7 -6.817 -13.518 -6.414 73 1HE LYS 7 1HE LYS 7 -8.485 -14.709 -7.819 74 2HE LYS 7 2HE LYS 7 -6.927 -14.485 -8.608 75 1HZ LYS 7 1HZ LYS 7 -7.963 -16.718 -8.896 76 2HZ LYS 7 2HZ LYS 7 -7.699 -17.003 -7.248 77 3HZ LYS 7 3HZ LYS 7 -6.388 -16.743 -8.286 78 H THR 8 H THR 8 -7.773 -17.522 -3.177 79 HA THR 8 HA THR 8 -7.108 -20.297 -3.450 80 HB THR 8 HB THR 8 -5.819 -19.944 -1.445 81 HG1 THR 8 HG1 THR 8 -7.159 -21.197 0.096 82 1HG2 THR 8 1HG2 THR 8 -6.783 -17.816 -0.723 83 2HG2 THR 8 2HG2 THR 8 -6.770 -18.981 0.602 84 3HG2 THR 8 3HG2 THR 8 -8.273 -18.639 -0.256 85 H ALA 9 H ALA 9 -8.939 -21.612 -3.201 86 HA ALA 9 HA ALA 9 -11.416 -20.202 -3.621 87 1HB ALA 9 1HB ALA 9 -10.826 -22.164 -4.970 88 2HB ALA 9 2HB ALA 9 -12.350 -22.402 -4.114 89 3HB ALA 9 3HB ALA 9 -10.877 -23.173 -3.524 90 H THR 10 H THR 10 -9.898 -21.890 -1.000 91 HA THR 10 HA THR 10 -12.188 -22.557 0.508 92 HB THR 10 HB THR 10 -10.526 -22.558 2.460 93 HG1 THR 10 HG1 THR 10 -8.851 -21.315 1.926 94 1HG2 THR 10 1HG2 THR 10 -9.374 -24.571 1.654 95 2HG2 THR 10 2HG2 THR 10 -9.840 -24.184 -0.003 96 3HG2 THR 10 3HG2 THR 10 -11.077 -24.589 1.189 97 H GLY 11 H GLY 11 -10.421 -19.588 0.109 98 1HA GLY 11 1HA GLY 11 -12.392 -17.901 1.019 99 2HA GLY 11 2HA GLY 11 -11.424 -18.274 2.440 100 H HIS 12 H HIS 12 -11.779 -16.192 -0.115 101 HA HIS 12 HA HIS 12 -9.209 -15.553 -0.958 102 1HB HIS 12 1HB HIS 12 -11.519 -13.649 -0.480 103 2HB HIS 12 2HB HIS 12 -10.103 -13.307 -1.468 104 HD1 HIS 12 HD1 HIS 12 -13.470 -14.647 -1.655 105 HD2 HIS 12 HD2 HIS 12 -9.941 -15.061 -3.830 106 HE1 HIS 12 HE1 HIS 12 -14.150 -15.617 -3.871 107 HE2 HIS 12 HE2 HIS 12 -12.027 -15.711 -5.218 108 H SER 13 H SER 13 -7.552 -14.329 -0.145 109 HA SER 13 HA SER 13 -7.881 -13.121 2.506 110 1HB SER 13 1HB SER 13 -7.075 -15.401 2.911 111 2HB SER 13 2HB SER 13 -5.743 -15.151 1.786 112 HG SER 13 HG SER 13 -6.051 -14.300 4.396 113 H ALA 14 H ALA 14 -6.034 -11.768 3.112 114 HA ALA 14 HA ALA 14 -4.309 -10.873 0.934 115 1HB ALA 14 1HB ALA 14 -4.902 -8.543 1.185 116 2HB ALA 14 2HB ALA 14 -6.063 -8.938 2.451 117 3HB ALA 14 3HB ALA 14 -6.352 -9.472 0.796 118 H TYR 15 H TYR 15 -2.371 -10.089 1.646 119 HA TYR 15 HA TYR 15 -1.924 -10.193 4.553 120 1HB TYR 15 1HB TYR 15 -0.831 -12.057 3.427 121 2HB TYR 15 2HB TYR 15 -0.046 -10.955 2.300 122 HD1 TYR 15 HD1 TYR 15 2.223 -10.716 2.698 123 HD2 TYR 15 HD2 TYR 15 -0.390 -11.169 6.033 124 HE1 TYR 15 HE1 TYR 15 4.140 -10.517 4.224 125 HE2 TYR 15 HE2 TYR 15 1.523 -10.973 7.563 126 HH TYR 15 HH TYR 15 3.821 -11.064 7.677 127 H VAL 16 H VAL 16 -1.807 -8.187 5.263 128 HA VAL 16 HA VAL 16 -0.497 -6.055 3.798 129 HB VAL 16 HB VAL 16 -1.568 -6.064 6.639 130 1HG1 VAL 16 1HG1 VAL 16 -1.622 -3.619 6.386 131 2HG1 VAL 16 2HG1 VAL 16 -0.869 -3.775 4.798 132 3HG1 VAL 16 3HG1 VAL 16 0.013 -4.265 6.245 133 1HG2 VAL 16 1HG2 VAL 16 -3.345 -6.605 5.051 134 2HG2 VAL 16 2HG2 VAL 16 -2.933 -5.186 4.087 135 3HG2 VAL 16 3HG2 VAL 16 -3.574 -4.987 5.719 136 H ALA 17 H ALA 17 1.667 -6.408 3.656 137 HA ALA 17 HA ALA 17 3.178 -8.018 5.319 138 1HB ALA 17 1HB ALA 17 3.804 -7.394 3.025 139 2HB ALA 17 2HB ALA 17 5.129 -7.173 4.168 140 3HB ALA 17 3HB ALA 17 4.219 -5.775 3.593 141 H LYS 18 H LYS 18 3.216 -4.431 5.283 142 HA LYS 18 HA LYS 18 5.132 -4.091 7.269 143 1HB LYS 18 1HB LYS 18 4.293 -1.824 7.576 144 2HB LYS 18 2HB LYS 18 4.334 -2.231 5.868 145 1HG LYS 18 1HG LYS 18 1.785 -2.600 7.386 146 2HG LYS 18 2HG LYS 18 2.279 -0.975 6.917 147 1HD LYS 18 1HD LYS 18 2.214 -3.195 4.897 148 2HD LYS 18 2HD LYS 18 0.736 -2.345 5.342 149 1HE LYS 18 1HE LYS 18 1.808 -1.406 3.326 150 2HE LYS 18 2HE LYS 18 1.679 -0.236 4.637 151 1HZ LYS 18 1HZ LYS 18 3.834 -0.212 3.467 152 2HZ LYS 18 2HZ LYS 18 4.140 -1.780 4.026 153 3HZ LYS 18 3HZ LYS 18 3.984 -0.502 5.125 154 H LYS 19 H LYS 19 1.746 -4.829 7.578 155 HA LYS 19 HA LYS 19 1.767 -4.325 10.464 156 1HB LYS 19 1HB LYS 19 -0.080 -3.426 9.073 157 2HB LYS 19 2HB LYS 19 -0.509 -5.064 8.603 158 1HG LYS 19 1HG LYS 19 -1.031 -5.582 10.959 159 2HG LYS 19 2HG LYS 19 -0.653 -3.911 11.391 160 1HD LYS 19 1HD LYS 19 -2.443 -3.111 9.942 161 2HD LYS 19 2HD LYS 19 -2.793 -4.762 9.428 162 1HE LYS 19 1HE LYS 19 -4.411 -4.074 11.081 163 2HE LYS 19 2HE LYS 19 -3.378 -5.328 11.765 164 1HZ LYS 19 1HZ LYS 19 -2.963 -2.427 12.211 165 2HZ LYS 19 2HZ LYS 19 -2.191 -3.707 13.003 166 3HZ LYS 19 3HZ LYS 19 -3.838 -3.424 13.259 167 H ASP 20 H ASP 20 2.345 -6.809 8.317 168 HA ASP 20 HA ASP 20 2.438 -9.069 8.378 169 1HB ASP 20 1HB ASP 20 3.863 -8.604 10.360 170 2HB ASP 20 2HB ASP 20 2.435 -8.677 11.387 171 H LEU 21 H LEU 21 -0.115 -7.712 8.319 172 HA LEU 21 HA LEU 21 -1.927 -9.406 9.857 173 1HB LEU 21 1HB LEU 21 -2.407 -7.023 9.810 174 2HB LEU 21 2HB LEU 21 -2.433 -7.033 8.055 175 HG LEU 21 HG LEU 21 -4.413 -8.607 8.193 176 1HD1 LEU 21 1HD1 LEU 21 -4.367 -7.791 11.097 177 2HD1 LEU 21 2HD1 LEU 21 -4.099 -9.415 10.460 178 3HD1 LEU 21 3HD1 LEU 21 -5.679 -8.651 10.288 179 1HD2 LEU 21 1HD2 LEU 21 -6.018 -6.821 8.649 180 2HD2 LEU 21 2HD2 LEU 21 -4.666 -6.228 7.683 181 3HD2 LEU 21 3HD2 LEU 21 -4.746 -5.861 9.406 182 H GLU 22 H GLU 22 -2.271 -11.347 8.963 183 HA GLU 22 HA GLU 22 -3.040 -11.446 6.116 184 1HB GLU 22 1HB GLU 22 -1.202 -13.001 6.753 185 2HB GLU 22 2HB GLU 22 -2.261 -13.742 7.946 186 1HG GLU 22 1HG GLU 22 -3.775 -14.466 6.167 187 2HG GLU 22 2HG GLU 22 -2.737 -13.703 4.966 188 H GLU 23 H GLU 23 -5.188 -11.251 5.908 189 HA GLU 23 HA GLU 23 -6.904 -12.475 7.964 190 1HB GLU 23 1HB GLU 23 -6.526 -9.984 8.342 191 2HB GLU 23 2HB GLU 23 -7.394 -9.712 6.839 192 1HG GLU 23 1HG GLU 23 -8.796 -9.428 8.828 193 2HG GLU 23 2HG GLU 23 -9.393 -10.675 7.738 194 H LEU 24 H LEU 24 -9.130 -12.718 7.314 195 HA LEU 24 HA LEU 24 -9.330 -13.671 4.597 196 1HB LEU 24 1HB LEU 24 -11.352 -13.650 6.848 197 2HB LEU 24 2HB LEU 24 -11.529 -14.511 5.327 198 HG LEU 24 HG LEU 24 -9.385 -15.071 7.390 199 1HD1 LEU 24 1HD1 LEU 24 -11.893 -16.618 6.736 200 2HD1 LEU 24 2HD1 LEU 24 -11.609 -15.678 8.200 201 3HD1 LEU 24 3HD1 LEU 24 -10.634 -17.109 7.871 202 1HD2 LEU 24 1HD2 LEU 24 -10.135 -16.546 4.859 203 2HD2 LEU 24 2HD2 LEU 24 -8.946 -17.079 6.048 204 3HD2 LEU 24 3HD2 LEU 24 -8.664 -15.606 5.120 205 H ILE 25 H ILE 25 -10.447 -12.780 2.974 206 HA ILE 25 HA ILE 25 -11.455 -10.098 3.201 207 HB ILE 25 HB ILE 25 -11.444 -12.049 0.885 208 1HG1 ILE 25 1HG1 ILE 25 -9.732 -9.612 1.472 209 2HG1 ILE 25 2HG1 ILE 25 -9.214 -11.288 1.606 210 1HG2 ILE 25 1HG2 ILE 25 -12.016 -10.124 -0.542 211 2HG2 ILE 25 2HG2 ILE 25 -12.216 -9.128 0.899 212 3HG2 ILE 25 3HG2 ILE 25 -13.295 -10.494 0.615 213 1HD1 ILE 25 1HD1 ILE 25 -10.020 -9.884 -0.933 214 2HD1 ILE 25 2HD1 ILE 25 -9.509 -11.567 -0.801 215 3HD1 ILE 25 3HD1 ILE 25 -8.375 -10.270 -0.423 216 H VAL 26 H VAL 26 -13.294 -9.943 4.357 217 HA VAL 26 HA VAL 26 -15.524 -11.781 3.828 218 HB VAL 26 HB VAL 26 -16.585 -10.806 5.815 219 1HG1 VAL 26 1HG1 VAL 26 -14.996 -11.624 7.507 220 2HG1 VAL 26 2HG1 VAL 26 -13.713 -11.623 6.295 221 3HG1 VAL 26 3HG1 VAL 26 -15.091 -12.711 6.119 222 1HG2 VAL 26 1HG2 VAL 26 -15.372 -9.191 7.225 223 2HG2 VAL 26 2HG2 VAL 26 -15.746 -8.520 5.638 224 3HG2 VAL 26 3HG2 VAL 26 -14.109 -9.074 5.997 225 H GLU 27 H GLU 27 -14.373 -8.809 2.870 226 HA GLU 27 HA GLU 27 -16.958 -8.051 1.715 227 1HB GLU 27 1HB GLU 27 -16.890 -6.559 3.537 228 2HB GLU 27 2HB GLU 27 -15.151 -6.359 3.432 229 1HG GLU 27 1HG GLU 27 -16.216 -4.327 2.751 230 2HG GLU 27 2HG GLU 27 -15.451 -5.065 1.348 231 H MET 28 H MET 28 -16.708 -7.882 -0.410 232 HA MET 28 HA MET 28 -14.410 -6.520 -1.513 233 1HB MET 28 1HB MET 28 -13.891 -8.315 -3.145 234 2HB MET 28 2HB MET 28 -13.556 -8.792 -1.487 235 1HG MET 28 1HG MET 28 -15.675 -10.041 -1.439 236 2HG MET 28 2HG MET 28 -15.951 -9.600 -3.125 237 1HE MET 28 1HE MET 28 -15.077 -13.394 -3.420 238 2HE MET 28 2HE MET 28 -16.218 -12.122 -3.858 239 3HE MET 28 3HE MET 28 -16.032 -12.595 -2.169 240 H GLU 29 H GLU 29 -14.868 -5.531 -3.424 241 HA GLU 29 HA GLU 29 -17.541 -4.913 -3.959 242 1HB GLU 29 1HB GLU 29 -15.664 -3.419 -4.491 243 2HB GLU 29 2HB GLU 29 -15.103 -4.544 -5.719 244 1HG GLU 29 1HG GLU 29 -16.244 -2.719 -6.775 245 2HG GLU 29 2HG GLU 29 -17.201 -4.187 -6.967 246 H ASN 30 H ASN 30 -15.274 -6.905 -5.853 247 HA ASN 30 HA ASN 30 -17.370 -7.601 -7.734 248 1HB ASN 30 1HB ASN 30 -15.048 -7.098 -8.494 249 2HB ASN 30 2HB ASN 30 -14.487 -8.528 -7.636 250 1HD2 ASN 30 1HD2 ASN 30 -16.292 -7.350 -10.368 251 2HD2 ASN 30 2HD2 ASN 30 -16.329 -8.848 -11.234 252 HA PRO 31 HA PRO 31 -18.782 -11.350 -5.775 253 1HB PRO 31 1HB PRO 31 -19.117 -12.795 -8.163 254 2HB PRO 31 2HB PRO 31 -20.326 -11.755 -7.404 255 1HG PRO 31 1HG PRO 31 -18.386 -11.112 -9.602 256 2HG PRO 31 2HG PRO 31 -20.098 -10.657 -9.449 257 1HD PRO 31 1HD PRO 31 -18.219 -8.876 -8.920 258 2HD PRO 31 2HD PRO 31 -19.622 -9.008 -7.832 259 H ALA 32 H ALA 32 -16.351 -11.548 -8.356 260 HA ALA 32 HA ALA 32 -15.343 -14.096 -7.460 261 1HB ALA 32 1HB ALA 32 -15.187 -13.513 -9.819 262 2HB ALA 32 2HB ALA 32 -13.574 -13.737 -9.133 263 3HB ALA 32 3HB ALA 32 -14.190 -12.111 -9.423 264 H LEU 33 H LEU 33 -13.884 -10.850 -7.701 265 HA LEU 33 HA LEU 33 -12.897 -10.660 -5.122 266 1HB LEU 33 1HB LEU 33 -11.604 -12.714 -5.853 267 2HB LEU 33 2HB LEU 33 -10.774 -11.695 -7.011 268 HG LEU 33 HG LEU 33 -9.828 -10.344 -5.205 269 1HD1 LEU 33 1HD1 LEU 33 -10.096 -11.014 -2.863 270 2HD1 LEU 33 2HD1 LEU 33 -11.274 -12.235 -3.348 271 3HD1 LEU 33 3HD1 LEU 33 -11.628 -10.522 -3.584 272 1HD2 LEU 33 1HD2 LEU 33 -9.397 -13.305 -4.787 273 2HD2 LEU 33 2HD2 LEU 33 -8.319 -12.016 -4.250 274 3HD2 LEU 33 3HD2 LEU 33 -8.574 -12.290 -5.973 275 H TRP 34 H TRP 34 -11.080 -10.274 -8.156 276 HA TRP 34 HA TRP 34 -10.330 -7.602 -7.473 277 1HB TRP 34 1HB TRP 34 -9.950 -9.128 -10.070 278 2HB TRP 34 2HB TRP 34 -9.140 -7.625 -9.636 279 HD1 TRP 34 HD1 TRP 34 -9.287 -11.331 -8.535 280 HE1 TRP 34 HE1 TRP 34 -7.053 -11.924 -7.405 281 HE3 TRP 34 HE3 TRP 34 -7.100 -6.713 -8.548 282 HZ2 TRP 34 HZ2 TRP 34 -4.683 -10.624 -6.629 283 HZ3 TRP 34 HZ3 TRP 34 -4.848 -6.470 -7.594 284 HH2 TRP 34 HH2 TRP 34 -3.663 -8.388 -6.652 285 H GLY 35 H GLY 35 -11.322 -5.750 -7.961 286 1HA GLY 35 1HA GLY 35 -12.814 -5.205 -10.277 287 2HA GLY 35 2HA GLY 35 -13.931 -5.714 -9.020 288 H GLY 36 H GLY 36 -13.056 -4.627 -6.772 289 1HA GLY 36 1HA GLY 36 -12.455 -1.816 -7.138 290 2HA GLY 36 2HA GLY 36 -14.104 -2.155 -6.624 291 H LYS 37 H LYS 37 -14.130 -1.498 -4.548 292 HA LYS 37 HA LYS 37 -11.878 -1.627 -2.836 293 1HB LYS 37 1HB LYS 37 -13.564 -0.970 -1.041 294 2HB LYS 37 2HB LYS 37 -13.373 0.131 -2.395 295 1HG LYS 37 1HG LYS 37 -15.672 0.053 -2.013 296 2HG LYS 37 2HG LYS 37 -15.421 -0.991 -3.411 297 1HD LYS 37 1HD LYS 37 -15.499 -2.963 -1.898 298 2HD LYS 37 2HD LYS 37 -15.840 -1.878 -0.545 299 1HE LYS 37 1HE LYS 37 -17.868 -1.107 -1.710 300 2HE LYS 37 2HE LYS 37 -17.536 -2.242 -3.016 301 1HZ LYS 37 1HZ LYS 37 -17.606 -4.006 -1.180 302 2HZ LYS 37 2HZ LYS 37 -19.072 -3.334 -1.683 303 3HZ LYS 37 3HZ LYS 37 -18.364 -2.818 -0.238 304 H VAL 38 H VAL 38 -11.694 -2.726 -0.844 305 HA VAL 38 HA VAL 38 -13.188 -5.197 -0.472 306 HB VAL 38 HB VAL 38 -11.388 -5.896 -1.970 307 1HG1 VAL 38 1HG1 VAL 38 -9.027 -5.657 -1.382 308 2HG1 VAL 38 2HG1 VAL 38 -9.472 -4.735 0.055 309 3HG1 VAL 38 3HG1 VAL 38 -9.806 -4.083 -1.550 310 1HG2 VAL 38 1HG2 VAL 38 -10.824 -6.766 0.868 311 2HG2 VAL 38 2HG2 VAL 38 -10.320 -7.618 -0.592 312 3HG2 VAL 38 3HG2 VAL 38 -12.034 -7.463 -0.210 313 H THR 39 H THR 39 -12.945 -6.015 1.688 314 HA THR 39 HA THR 39 -11.300 -4.455 3.532 315 HB THR 39 HB THR 39 -14.263 -4.915 4.000 316 HG1 THR 39 HG1 THR 39 -12.899 -2.896 2.793 317 1HG2 THR 39 1HG2 THR 39 -12.201 -3.481 5.688 318 2HG2 THR 39 2HG2 THR 39 -12.970 -5.019 6.079 319 3HG2 THR 39 3HG2 THR 39 -13.933 -3.544 6.016 320 H LEU 40 H LEU 40 -10.365 -5.668 5.038 321 HA LEU 40 HA LEU 40 -10.778 -8.527 5.004 322 1HB LEU 40 1HB LEU 40 -8.869 -6.763 6.554 323 2HB LEU 40 2HB LEU 40 -8.916 -8.508 6.711 324 HG LEU 40 HG LEU 40 -7.109 -8.011 5.269 325 1HD1 LEU 40 1HD1 LEU 40 -9.452 -8.872 3.575 326 2HD1 LEU 40 2HD1 LEU 40 -8.434 -9.917 4.568 327 3HD1 LEU 40 3HD1 LEU 40 -7.750 -9.091 3.171 328 1HD2 LEU 40 1HD2 LEU 40 -7.306 -6.662 3.240 329 2HD2 LEU 40 2HD2 LEU 40 -7.689 -5.724 4.683 330 3HD2 LEU 40 3HD2 LEU 40 -8.987 -6.301 3.637 331 H ALA 41 H ALA 41 -10.982 -9.750 7.060 332 HA ALA 41 HA ALA 41 -13.309 -8.997 8.457 333 1HB ALA 41 1HB ALA 41 -12.880 -10.934 9.877 334 2HB ALA 41 2HB ALA 41 -11.224 -11.028 9.278 335 3HB ALA 41 3HB ALA 41 -12.575 -11.331 8.185 336 H ASN 42 H ASN 42 -10.015 -8.218 8.948 337 HA ASN 42 HA ASN 42 -10.111 -7.624 11.745 338 1HB ASN 42 1HB ASN 42 -8.011 -8.218 10.588 339 2HB ASN 42 2HB ASN 42 -8.131 -6.759 9.613 340 1HD2 ASN 42 1HD2 ASN 42 -7.434 -8.059 12.756 341 2HD2 ASN 42 2HD2 ASN 42 -6.703 -6.635 13.405 342 H GLY 43 H GLY 43 -11.112 -6.020 8.904 343 1HA GLY 43 1HA GLY 43 -12.561 -4.097 9.125 344 2HA GLY 43 2HA GLY 43 -11.530 -3.522 10.425 345 H TRP 44 H TRP 44 -9.228 -4.505 8.572 346 HA TRP 44 HA TRP 44 -8.450 -2.009 7.610 347 1HB TRP 44 1HB TRP 44 -6.895 -3.920 7.997 348 2HB TRP 44 2HB TRP 44 -7.555 -4.719 6.574 349 HD1 TRP 44 HD1 TRP 44 -7.180 -3.252 4.173 350 HE1 TRP 44 HE1 TRP 44 -5.108 -1.915 3.443 351 HE3 TRP 44 HE3 TRP 44 -4.944 -2.643 8.736 352 HZ2 TRP 44 HZ2 TRP 44 -2.824 -0.773 4.628 353 HZ3 TRP 44 HZ3 TRP 44 -2.810 -1.423 8.844 354 HH2 TRP 44 HH2 TRP 44 -1.773 -0.508 6.831 355 H GLN 45 H GLN 45 -9.347 -0.839 6.047 356 HA GLN 45 HA GLN 45 -10.765 -2.131 3.846 357 1HB GLN 45 1HB GLN 45 -10.450 0.801 4.536 358 2HB GLN 45 2HB GLN 45 -11.444 0.167 3.231 359 1HG GLN 45 1HG GLN 45 -12.842 -1.003 4.863 360 2HG GLN 45 2HG GLN 45 -11.843 -0.367 6.172 361 1HE2 GLN 45 1HE2 GLN 45 -11.917 1.849 6.633 362 2HE2 GLN 45 2HE2 GLN 45 -13.250 2.834 6.133 363 H LEU 46 H LEU 46 -10.046 -2.184 1.813 364 HA LEU 46 HA LEU 46 -7.618 -0.767 1.029 365 1HB LEU 46 1HB LEU 46 -6.955 -2.984 1.998 366 2HB LEU 46 2HB LEU 46 -7.953 -3.770 0.791 367 HG LEU 46 HG LEU 46 -6.489 -2.753 -0.982 368 1HD1 LEU 46 1HD1 LEU 46 -5.588 -0.887 0.298 369 2HD1 LEU 46 2HD1 LEU 46 -4.287 -1.906 -0.315 370 3HD1 LEU 46 3HD1 LEU 46 -4.761 -2.007 1.381 371 1HD2 LEU 46 1HD2 LEU 46 -6.213 -5.072 -0.246 372 2HD2 LEU 46 2HD2 LEU 46 -5.112 -4.542 1.028 373 3HD2 LEU 46 3HD2 LEU 46 -4.663 -4.343 -0.666 374 H GLU 47 H GLU 47 -7.293 -1.006 -1.385 375 HA GLU 47 HA GLU 47 -9.880 -1.389 -2.752 376 1HB GLU 47 1HB GLU 47 -8.751 0.928 -2.784 377 2HB GLU 47 2HB GLU 47 -7.545 0.198 -3.837 378 1HG GLU 47 1HG GLU 47 -9.468 -0.476 -5.348 379 2HG GLU 47 2HG GLU 47 -10.480 0.577 -4.354 380 H LEU 48 H LEU 48 -9.930 -2.663 -4.585 381 HA LEU 48 HA LEU 48 -7.510 -4.266 -5.085 382 1HB LEU 48 1HB LEU 48 -9.379 -5.342 -3.707 383 2HB LEU 48 2HB LEU 48 -10.334 -5.322 -5.177 384 HG LEU 48 HG LEU 48 -8.700 -6.786 -6.280 385 1HD1 LEU 48 1HD1 LEU 48 -6.680 -6.029 -5.138 386 2HD1 LEU 48 2HD1 LEU 48 -6.858 -7.778 -5.005 387 3HD1 LEU 48 3HD1 LEU 48 -7.250 -6.746 -3.629 388 1HD2 LEU 48 1HD2 LEU 48 -10.555 -7.802 -5.056 389 2HD2 LEU 48 2HD2 LEU 48 -9.584 -7.821 -3.583 390 3HD2 LEU 48 3HD2 LEU 48 -9.110 -8.808 -4.966 391 HA PRO 49 HA PRO 49 -8.533 -2.211 -9.019 392 1HB PRO 49 1HB PRO 49 -6.153 -2.892 -10.231 393 2HB PRO 49 2HB PRO 49 -6.372 -1.480 -9.191 394 1HG PRO 49 1HG PRO 49 -5.255 -4.178 -8.508 395 2HG PRO 49 2HG PRO 49 -4.664 -2.571 -8.042 396 1HD PRO 49 1HD PRO 49 -6.080 -4.081 -6.337 397 2HD PRO 49 2HD PRO 49 -6.288 -2.317 -6.391 398 H ALA 50 H ALA 50 -9.644 -3.050 -10.659 399 HA ALA 50 HA ALA 50 -9.938 -5.864 -10.980 400 1HB ALA 50 1HB ALA 50 -10.905 -3.654 -12.799 401 2HB ALA 50 2HB ALA 50 -11.771 -4.261 -11.391 402 3HB ALA 50 3HB ALA 50 -11.482 -5.321 -12.770 403 H MET 51 H MET 51 -7.733 -6.476 -11.388 404 HA MET 51 HA MET 51 -6.724 -5.831 -14.071 405 1HB MET 51 1HB MET 51 -5.367 -7.436 -11.888 406 2HB MET 51 2HB MET 51 -4.635 -6.876 -13.385 407 1HG MET 51 1HG MET 51 -5.019 -4.535 -12.604 408 2HG MET 51 2HG MET 51 -5.549 -5.197 -11.059 409 1HE MET 51 1HE MET 51 -3.455 -7.797 -11.113 410 2HE MET 51 2HE MET 51 -3.920 -6.927 -9.652 411 3HE MET 51 3HE MET 51 -2.215 -7.155 -10.035 412 H ALA 52 H ALA 52 -6.720 -8.795 -12.102 413 HA ALA 52 HA ALA 52 -8.159 -10.302 -14.097 414 1HB ALA 52 1HB ALA 52 -5.251 -10.936 -13.548 415 2HB ALA 52 2HB ALA 52 -5.901 -10.295 -15.058 416 3HB ALA 52 3HB ALA 52 -6.354 -11.912 -14.520 417 H ALA 53 H ALA 53 -9.322 -11.806 -13.065 418 HA ALA 53 HA ALA 53 -8.717 -12.382 -10.257 419 1HB ALA 53 1HB ALA 53 -10.995 -13.267 -10.148 420 2HB ALA 53 2HB ALA 53 -11.188 -13.008 -11.882 421 3HB ALA 53 3HB ALA 53 -10.986 -11.629 -10.802 422 H ASP 54 H ASP 54 -8.273 -13.723 -13.308 423 HA ASP 54 HA ASP 54 -8.589 -16.500 -12.619 424 1HB ASP 54 1HB ASP 54 -7.672 -16.940 -14.858 425 2HB ASP 54 2HB ASP 54 -8.952 -15.732 -14.921 426 H THR 55 H THR 55 -6.181 -14.217 -12.011 427 HA THR 55 HA THR 55 -3.829 -15.700 -12.369 428 HB THR 55 HB THR 55 -3.774 -13.286 -11.999 429 HG1 THR 55 HG1 THR 55 -1.879 -14.375 -11.478 430 1HG2 THR 55 1HG2 THR 55 -4.577 -13.895 -9.146 431 2HG2 THR 55 2HG2 THR 55 -5.578 -13.082 -10.349 432 3HG2 THR 55 3HG2 THR 55 -4.098 -12.318 -9.770 433 HA PRO 56 HA PRO 56 -4.577 -18.613 -9.040 434 1HB PRO 56 1HB PRO 56 -2.897 -20.496 -9.837 435 2HB PRO 56 2HB PRO 56 -4.266 -20.056 -10.868 436 1HG PRO 56 1HG PRO 56 -1.390 -19.230 -11.091 437 2HG PRO 56 2HG PRO 56 -2.504 -19.747 -12.372 438 1HD PRO 56 1HD PRO 56 -1.928 -17.101 -11.714 439 2HD PRO 56 2HD PRO 56 -3.357 -17.641 -12.616 440 H LEU 57 H LEU 57 -2.201 -16.439 -9.106 441 HA LEU 57 HA LEU 57 -0.589 -17.760 -7.025 442 1HB LEU 57 1HB LEU 57 1.344 -16.384 -7.900 443 2HB LEU 57 2HB LEU 57 0.801 -17.692 -8.929 444 HG LEU 57 HG LEU 57 -0.574 -15.845 -10.159 445 1HD1 LEU 57 1HD1 LEU 57 1.522 -14.146 -8.810 446 2HD1 LEU 57 2HD1 LEU 57 -0.221 -14.050 -8.562 447 3HD1 LEU 57 3HD1 LEU 57 0.468 -13.632 -10.129 448 1HD2 LEU 57 1HD2 LEU 57 1.273 -17.080 -11.159 449 2HD2 LEU 57 2HD2 LEU 57 2.431 -15.981 -10.410 450 3HD2 LEU 57 3HD2 LEU 57 1.314 -15.384 -11.639 451 HA PRO 58 HA PRO 58 -1.467 -14.174 -4.544 452 1HB PRO 58 1HB PRO 58 0.628 -14.248 -2.817 453 2HB PRO 58 2HB PRO 58 -0.717 -15.391 -2.733 454 1HG PRO 58 1HG PRO 58 2.011 -15.758 -3.919 455 2HG PRO 58 2HG PRO 58 1.053 -16.887 -2.940 456 1HD PRO 58 1HD PRO 58 1.234 -17.045 -5.660 457 2HD PRO 58 2HD PRO 58 -0.186 -17.596 -4.747 458 H ILE 59 H ILE 59 -1.241 -12.468 -5.949 459 HA ILE 59 HA ILE 59 1.437 -11.524 -6.649 460 HB ILE 59 HB ILE 59 -0.117 -11.716 -8.495 461 1HG1 ILE 59 1HG1 ILE 59 0.404 -8.814 -7.773 462 2HG1 ILE 59 2HG1 ILE 59 1.516 -9.891 -8.611 463 1HG2 ILE 59 1HG2 ILE 59 -1.894 -9.767 -7.019 464 2HG2 ILE 59 2HG2 ILE 59 -2.211 -11.487 -7.252 465 3HG2 ILE 59 3HG2 ILE 59 -2.170 -10.404 -8.642 466 1HD1 ILE 59 1HD1 ILE 59 0.454 -8.371 -10.161 467 2HD1 ILE 59 2HD1 ILE 59 -1.140 -8.922 -9.648 468 3HD1 ILE 59 3HD1 ILE 59 -0.052 -10.027 -10.489 469 H THR 60 H THR 60 2.285 -9.633 -5.987 470 HA THR 60 HA THR 60 0.908 -8.132 -3.902 471 HB THR 60 HB THR 60 3.724 -7.790 -4.983 472 HG1 THR 60 HG1 THR 60 3.857 -8.787 -2.590 473 1HG2 THR 60 1HG2 THR 60 2.429 -6.756 -2.449 474 2HG2 THR 60 2HG2 THR 60 2.881 -5.786 -3.852 475 3HG2 THR 60 3HG2 THR 60 4.129 -6.570 -2.885 476 H VAL 61 H VAL 61 -0.208 -6.342 -4.368 477 HA VAL 61 HA VAL 61 0.447 -4.837 -6.824 478 HB VAL 61 HB VAL 61 -1.910 -4.081 -6.865 479 1HG1 VAL 61 1HG1 VAL 61 -2.903 -6.182 -7.637 480 2HG1 VAL 61 2HG1 VAL 61 -1.605 -7.088 -6.857 481 3HG1 VAL 61 3HG1 VAL 61 -1.242 -6.012 -8.207 482 1HG2 VAL 61 1HG2 VAL 61 -2.299 -6.047 -4.597 483 2HG2 VAL 61 2HG2 VAL 61 -3.588 -5.199 -5.454 484 3HG2 VAL 61 3HG2 VAL 61 -2.428 -4.291 -4.485 485 H GLU 62 H GLU 62 -0.334 -2.486 -6.649 486 HA GLU 62 HA GLU 62 1.016 -1.264 -4.470 487 1HB GLU 62 1HB GLU 62 0.875 -0.277 -6.755 488 2HB GLU 62 2HB GLU 62 -0.839 0.023 -6.494 489 1HG GLU 62 1HG GLU 62 -0.335 1.553 -4.686 490 2HG GLU 62 2HG GLU 62 1.384 1.191 -4.822 491 H ALA 63 H ALA 63 0.262 -0.877 -2.508 492 HA ALA 63 HA ALA 63 -2.401 -1.563 -1.785 493 1HB ALA 63 1HB ALA 63 -0.246 -0.245 -0.132 494 2HB ALA 63 2HB ALA 63 -0.514 -1.982 -0.293 495 3HB ALA 63 3HB ALA 63 -1.730 -0.970 0.487 496 H ARG 64 H ARG 64 -4.012 -0.305 -2.356 497 HA ARG 64 HA ARG 64 -3.927 2.565 -1.662 498 1HB ARG 64 1HB ARG 64 -4.174 2.453 -4.025 499 2HB ARG 64 2HB ARG 64 -5.281 1.093 -3.929 500 1HG ARG 64 1HG ARG 64 -6.465 3.089 -4.578 501 2HG ARG 64 2HG ARG 64 -7.003 2.555 -2.988 502 1HD ARG 64 1HD ARG 64 -5.602 4.270 -1.939 503 2HD ARG 64 2HD ARG 64 -5.048 4.795 -3.532 504 HE ARG 64 HE ARG 64 -7.738 4.973 -3.735 505 1HH1 ARG 64 1HH1 ARG 64 -5.441 6.252 -1.421 506 2HH1 ARG 64 2HH1 ARG 64 -6.415 7.636 -1.038 507 1HH2 ARG 64 1HH2 ARG 64 -9.022 6.784 -3.215 508 2HH2 ARG 64 2HH2 ARG 64 -8.448 7.931 -2.044 509 H LYS 65 H LYS 65 -4.941 2.687 0.294 510 HA LYS 65 HA LYS 65 -7.229 0.940 0.789 511 1HB LYS 65 1HB LYS 65 -6.953 1.547 3.129 512 2HB LYS 65 2HB LYS 65 -5.451 0.931 2.468 513 1HG LYS 65 1HG LYS 65 -4.501 3.108 2.380 514 2HG LYS 65 2HG LYS 65 -6.052 3.869 2.734 515 1HD LYS 65 1HD LYS 65 -4.532 2.065 4.627 516 2HD LYS 65 2HD LYS 65 -4.520 3.827 4.681 517 1HE LYS 65 1HE LYS 65 -6.116 3.279 6.279 518 2HE LYS 65 2HE LYS 65 -7.094 3.614 4.855 519 1HZ LYS 65 1HZ LYS 65 -7.878 1.637 5.923 520 2HZ LYS 65 2HZ LYS 65 -6.340 0.939 5.899 521 3HZ LYS 65 3HZ LYS 65 -7.175 1.192 4.451 522 H LEU 66 H LEU 66 -9.156 1.796 1.768 523 HA LEU 66 HA LEU 66 -9.835 4.475 0.831 524 1HB LEU 66 1HB LEU 66 -11.565 2.313 2.068 525 2HB LEU 66 2HB LEU 66 -12.157 3.875 1.542 526 HG LEU 66 HG LEU 66 -12.762 2.374 -0.171 527 1HD1 LEU 66 1HD1 LEU 66 -10.214 3.686 -1.097 528 2HD1 LEU 66 2HD1 LEU 66 -11.805 4.443 -1.020 529 3HD1 LEU 66 3HD1 LEU 66 -11.522 3.096 -2.122 530 1HD2 LEU 66 1HD2 LEU 66 -11.381 0.483 0.500 531 2HD2 LEU 66 2HD2 LEU 66 -9.950 1.282 -0.157 532 3HD2 LEU 66 3HD2 LEU 66 -11.258 0.787 -1.233 Start of MODEL 3 1 H MET 1 H MET 1 4.017 0.430 0.273 2 HA MET 1 HA MET 1 1.101 0.625 -0.208 3 1HB MET 1 1HB MET 1 2.544 2.441 -1.223 4 2HB MET 1 2HB MET 1 3.387 1.188 -2.120 5 1HG MET 1 1HG MET 1 1.211 0.562 -3.166 6 2HG MET 1 2HG MET 1 0.481 1.948 -2.359 7 1HE MET 1 1HE MET 1 4.082 1.650 -3.980 8 2HE MET 1 2HE MET 1 3.753 2.243 -5.608 9 3HE MET 1 3HE MET 1 3.037 0.727 -5.062 10 H LYS 2 H LYS 2 2.993 -1.660 0.594 11 HA LYS 2 HA LYS 2 2.822 -3.309 -1.837 12 1HB LYS 2 1HB LYS 2 5.055 -2.973 -0.708 13 2HB LYS 2 2HB LYS 2 4.423 -3.828 0.687 14 1HG LYS 2 1HG LYS 2 4.499 -5.092 -2.042 15 2HG LYS 2 2HG LYS 2 5.892 -5.120 -0.962 16 1HD LYS 2 1HD LYS 2 4.439 -6.206 0.765 17 2HD LYS 2 2HD LYS 2 3.157 -6.302 -0.442 18 1HE LYS 2 1HE LYS 2 4.379 -8.416 -0.270 19 2HE LYS 2 2HE LYS 2 4.587 -7.685 -1.861 20 1HZ LYS 2 1HZ LYS 2 6.745 -6.867 -1.175 21 2HZ LYS 2 2HZ LYS 2 6.670 -8.541 -0.974 22 3HZ LYS 2 3HZ LYS 2 6.542 -7.526 0.368 23 H VAL 3 H VAL 3 1.160 -4.673 -1.938 24 HA VAL 3 HA VAL 3 0.401 -6.140 0.487 25 HB VAL 3 HB VAL 3 -1.264 -4.320 0.176 26 1HG1 VAL 3 1HG1 VAL 3 -1.182 -4.106 -2.256 27 2HG1 VAL 3 2HG1 VAL 3 -2.833 -4.386 -1.701 28 3HG1 VAL 3 3HG1 VAL 3 -1.914 -5.703 -2.432 29 1HG2 VAL 3 1HG2 VAL 3 -3.255 -5.736 0.351 30 2HG2 VAL 3 2HG2 VAL 3 -1.905 -6.404 1.268 31 3HG2 VAL 3 3HG2 VAL 3 -2.344 -7.103 -0.291 32 H MET 4 H MET 4 0.317 -8.257 0.147 33 HA MET 4 HA MET 4 0.380 -9.245 -2.625 34 1HB MET 4 1HB MET 4 2.288 -9.930 -1.270 35 2HB MET 4 2HB MET 4 1.220 -10.558 -0.023 36 1HG MET 4 1HG MET 4 0.384 -12.242 -1.614 37 2HG MET 4 2HG MET 4 1.507 -11.630 -2.827 38 1HE MET 4 1HE MET 4 4.124 -11.875 -2.692 39 2HE MET 4 2HE MET 4 4.978 -12.529 -1.295 40 3HE MET 4 3HE MET 4 4.110 -11.001 -1.160 41 H ILE 5 H ILE 5 -1.596 -9.777 -3.336 42 HA ILE 5 HA ILE 5 -3.649 -10.655 -1.478 43 HB ILE 5 HB ILE 5 -3.800 -10.418 -4.495 44 1HG1 ILE 5 1HG1 ILE 5 -3.274 -8.246 -3.474 45 2HG1 ILE 5 2HG1 ILE 5 -4.920 -8.259 -4.094 46 1HG2 ILE 5 1HG2 ILE 5 -6.232 -10.373 -4.128 47 2HG2 ILE 5 2HG2 ILE 5 -5.972 -10.640 -2.404 48 3HG2 ILE 5 3HG2 ILE 5 -5.511 -11.883 -3.568 49 1HD1 ILE 5 1HD1 ILE 5 -5.765 -8.607 -1.823 50 2HD1 ILE 5 2HD1 ILE 5 -4.804 -7.134 -1.954 51 3HD1 ILE 5 3HD1 ILE 5 -4.112 -8.575 -1.210 52 H ARG 6 H ARG 6 -3.697 -12.705 -0.862 53 HA ARG 6 HA ARG 6 -2.562 -14.766 -2.623 54 1HB ARG 6 1HB ARG 6 -3.087 -14.829 0.359 55 2HB ARG 6 2HB ARG 6 -2.324 -16.108 -0.577 56 1HG ARG 6 1HG ARG 6 -0.429 -14.685 -1.066 57 2HG ARG 6 2HG ARG 6 -1.206 -13.322 -0.258 58 1HD ARG 6 1HD ARG 6 -1.149 -14.533 1.862 59 2HD ARG 6 2HD ARG 6 -0.411 -15.918 1.063 60 HE ARG 6 HE ARG 6 1.367 -14.003 0.515 61 1HH1 ARG 6 1HH1 ARG 6 -0.278 -14.777 3.501 62 2HH1 ARG 6 2HH1 ARG 6 1.066 -14.349 4.513 63 1HH2 ARG 6 1HH2 ARG 6 3.158 -13.406 1.854 64 2HH2 ARG 6 2HH2 ARG 6 3.020 -13.573 3.576 65 H LYS 7 H LYS 7 -3.743 -16.501 -3.259 66 HA LYS 7 HA LYS 7 -6.597 -16.537 -2.535 67 1HB LYS 7 1HB LYS 7 -5.206 -17.942 -4.830 68 2HB LYS 7 2HB LYS 7 -6.938 -17.899 -4.536 69 1HG LYS 7 1HG LYS 7 -6.791 -15.383 -4.818 70 2HG LYS 7 2HG LYS 7 -5.147 -15.644 -5.409 71 1HD LYS 7 1HD LYS 7 -7.730 -16.659 -6.605 72 2HD LYS 7 2HD LYS 7 -6.567 -15.545 -7.326 73 1HE LYS 7 1HE LYS 7 -4.912 -17.326 -7.469 74 2HE LYS 7 2HE LYS 7 -6.016 -18.444 -6.668 75 1HZ LYS 7 1HZ LYS 7 -7.557 -18.091 -8.568 76 2HZ LYS 7 2HZ LYS 7 -6.107 -18.858 -8.981 77 3HZ LYS 7 3HZ LYS 7 -6.332 -17.222 -9.349 78 H THR 8 H THR 8 -7.589 -18.605 -2.129 79 HA THR 8 HA THR 8 -5.781 -20.805 -1.434 80 HB THR 8 HB THR 8 -7.959 -19.883 0.469 81 HG1 THR 8 HG1 THR 8 -5.312 -19.047 0.171 82 1HG2 THR 8 1HG2 THR 8 -6.779 -21.331 2.072 83 2HG2 THR 8 2HG2 THR 8 -5.625 -21.782 0.817 84 3HG2 THR 8 3HG2 THR 8 -7.320 -22.245 0.663 85 H ALA 9 H ALA 9 -6.933 -22.871 -1.229 86 HA ALA 9 HA ALA 9 -8.609 -23.539 -3.264 87 1HB ALA 9 1HB ALA 9 -7.480 -25.177 -1.828 88 2HB ALA 9 2HB ALA 9 -9.193 -25.555 -2.013 89 3HB ALA 9 3HB ALA 9 -8.609 -24.811 -0.523 90 H THR 10 H THR 10 -9.662 -22.777 0.046 91 HA THR 10 HA THR 10 -12.217 -21.831 -1.072 92 HB THR 10 HB THR 10 -11.876 -23.294 1.566 93 HG1 THR 10 HG1 THR 10 -13.398 -24.192 -0.653 94 1HG2 THR 10 1HG2 THR 10 -14.371 -22.267 0.192 95 2HG2 THR 10 2HG2 THR 10 -13.646 -21.595 1.652 96 3HG2 THR 10 3HG2 THR 10 -14.331 -23.221 1.675 97 H GLY 11 H GLY 11 -11.658 -19.681 -1.041 98 1HA GLY 11 1HA GLY 11 -12.247 -17.838 0.560 99 2HA GLY 11 2HA GLY 11 -11.018 -18.526 1.608 100 H HIS 12 H HIS 12 -10.713 -15.993 1.142 101 HA HIS 12 HA HIS 12 -8.350 -15.843 -0.596 102 1HB HIS 12 1HB HIS 12 -10.666 -13.881 -0.581 103 2HB HIS 12 2HB HIS 12 -9.082 -13.492 -1.238 104 HD1 HIS 12 HD1 HIS 12 -12.198 -15.419 -1.978 105 HD2 HIS 12 HD2 HIS 12 -8.476 -14.720 -3.699 106 HE1 HIS 12 HE1 HIS 12 -12.399 -16.187 -4.360 107 HE2 HIS 12 HE2 HIS 12 -10.171 -15.669 -5.406 108 H SER 13 H SER 13 -6.691 -14.646 0.341 109 HA SER 13 HA SER 13 -7.330 -13.113 2.765 110 1HB SER 13 1HB SER 13 -5.248 -14.080 3.826 111 2HB SER 13 2HB SER 13 -6.574 -15.220 3.628 112 HG SER 13 HG SER 13 -4.070 -15.213 2.500 113 H ALA 14 H ALA 14 -6.269 -11.218 2.948 114 HA ALA 14 HA ALA 14 -4.375 -10.537 0.793 115 1HB ALA 14 1HB ALA 14 -5.027 -8.230 1.116 116 2HB ALA 14 2HB ALA 14 -6.013 -8.667 2.510 117 3HB ALA 14 3HB ALA 14 -6.472 -9.220 0.900 118 H TYR 15 H TYR 15 -2.320 -10.282 1.316 119 HA TYR 15 HA TYR 15 -1.539 -10.090 4.123 120 1HB TYR 15 1HB TYR 15 -0.449 -11.819 2.803 121 2HB TYR 15 2HB TYR 15 0.064 -10.634 1.608 122 HD1 TYR 15 HD1 TYR 15 2.155 -9.595 1.813 123 HD2 TYR 15 HD2 TYR 15 0.469 -11.551 5.201 124 HE1 TYR 15 HE1 TYR 15 4.256 -9.265 3.043 125 HE2 TYR 15 HE2 TYR 15 2.568 -11.224 6.438 126 HH TYR 15 HH TYR 15 4.927 -10.842 5.996 127 H VAL 16 H VAL 16 -1.635 -8.042 4.813 128 HA VAL 16 HA VAL 16 -0.736 -5.814 3.178 129 HB VAL 16 HB VAL 16 -1.666 -5.836 6.065 130 1HG1 VAL 16 1HG1 VAL 16 -2.042 -3.432 5.732 131 2HG1 VAL 16 2HG1 VAL 16 -1.356 -3.552 4.111 132 3HG1 VAL 16 3HG1 VAL 16 -0.345 -3.866 5.522 133 1HG2 VAL 16 1HG2 VAL 16 -3.831 -5.069 5.197 134 2HG2 VAL 16 2HG2 VAL 16 -3.417 -6.668 4.578 135 3HG2 VAL 16 3HG2 VAL 16 -3.234 -5.248 3.546 136 H ALA 17 H ALA 17 1.379 -5.367 3.049 137 HA ALA 17 HA ALA 17 3.336 -6.692 4.543 138 1HB ALA 17 1HB ALA 17 3.714 -5.814 2.292 139 2HB ALA 17 2HB ALA 17 4.945 -5.251 3.423 140 3HB ALA 17 3HB ALA 17 3.645 -4.168 2.922 141 H LYS 18 H LYS 18 2.113 -3.357 4.874 142 HA LYS 18 HA LYS 18 4.136 -2.445 6.573 143 1HB LYS 18 1HB LYS 18 2.601 -0.579 7.149 144 2HB LYS 18 2HB LYS 18 2.765 -0.858 5.426 145 1HG LYS 18 1HG LYS 18 0.494 -0.389 5.772 146 2HG LYS 18 2HG LYS 18 0.577 -2.135 5.552 147 1HD LYS 18 1HD LYS 18 -0.954 -1.508 7.370 148 2HD LYS 18 2HD LYS 18 0.399 -2.472 7.960 149 1HE LYS 18 1HE LYS 18 -0.026 -0.664 9.499 150 2HE LYS 18 2HE LYS 18 1.516 -0.386 8.695 151 1HZ LYS 18 1HZ LYS 18 -1.064 0.923 8.022 152 2HZ LYS 18 2HZ LYS 18 0.395 1.173 7.209 153 3HZ LYS 18 3HZ LYS 18 0.238 1.642 8.824 154 H LYS 19 H LYS 19 1.700 -4.664 7.321 155 HA LYS 19 HA LYS 19 2.476 -4.522 10.135 156 1HB LYS 19 1HB LYS 19 0.329 -3.216 9.831 157 2HB LYS 19 2HB LYS 19 -0.440 -4.716 9.328 158 1HG LYS 19 1HG LYS 19 -0.016 -5.703 11.502 159 2HG LYS 19 2HG LYS 19 0.869 -4.263 12.007 160 1HD LYS 19 1HD LYS 19 -1.189 -2.931 11.771 161 2HD LYS 19 2HD LYS 19 -2.068 -4.387 11.297 162 1HE LYS 19 1HE LYS 19 -2.434 -3.862 13.658 163 2HE LYS 19 2HE LYS 19 -1.586 -5.398 13.470 164 1HZ LYS 19 1HZ LYS 19 -0.571 -4.140 15.216 165 2HZ LYS 19 2HZ LYS 19 -0.382 -2.786 14.220 166 3HZ LYS 19 3HZ LYS 19 0.507 -4.192 13.914 167 H ASP 20 H ASP 20 2.704 -6.258 7.613 168 HA ASP 20 HA ASP 20 2.498 -8.417 6.902 169 1HB ASP 20 1HB ASP 20 3.549 -10.036 8.394 170 2HB ASP 20 2HB ASP 20 4.415 -8.510 8.436 171 H LEU 21 H LEU 21 0.019 -7.337 7.729 172 HA LEU 21 HA LEU 21 -1.320 -9.328 9.381 173 1HB LEU 21 1HB LEU 21 -1.636 -6.852 9.684 174 2HB LEU 21 2HB LEU 21 -2.417 -6.799 8.119 175 HG LEU 21 HG LEU 21 -3.495 -8.499 10.376 176 1HD1 LEU 21 1HD1 LEU 21 -3.356 -6.196 11.183 177 2HD1 LEU 21 2HD1 LEU 21 -5.029 -6.677 10.912 178 3HD1 LEU 21 3HD1 LEU 21 -4.213 -5.632 9.747 179 1HD2 LEU 21 1HD2 LEU 21 -4.372 -9.022 8.162 180 2HD2 LEU 21 2HD2 LEU 21 -4.781 -7.327 7.900 181 3HD2 LEU 21 3HD2 LEU 21 -5.616 -8.254 9.148 182 H GLU 22 H GLU 22 -2.127 -11.081 8.444 183 HA GLU 22 HA GLU 22 -3.350 -10.832 5.770 184 1HB GLU 22 1HB GLU 22 -1.508 -12.440 5.810 185 2HB GLU 22 2HB GLU 22 -2.244 -13.284 7.167 186 1HG GLU 22 1HG GLU 22 -4.165 -13.866 5.745 187 2HG GLU 22 2HG GLU 22 -3.390 -13.052 4.387 188 H GLU 23 H GLU 23 -5.459 -10.531 5.983 189 HA GLU 23 HA GLU 23 -6.946 -12.062 8.032 190 1HB GLU 23 1HB GLU 23 -6.919 -9.593 8.411 191 2HB GLU 23 2HB GLU 23 -7.659 -9.373 6.838 192 1HG GLU 23 1HG GLU 23 -9.296 -9.164 8.603 193 2HG GLU 23 2HG GLU 23 -9.653 -10.542 7.571 194 H LEU 24 H LEU 24 -9.208 -12.516 7.420 195 HA LEU 24 HA LEU 24 -9.321 -13.708 4.815 196 1HB LEU 24 1HB LEU 24 -11.455 -13.449 6.947 197 2HB LEU 24 2HB LEU 24 -11.565 -14.463 5.520 198 HG LEU 24 HG LEU 24 -9.584 -14.809 7.781 199 1HD1 LEU 24 1HD1 LEU 24 -10.838 -16.856 8.266 200 2HD1 LEU 24 2HD1 LEU 24 -12.003 -16.441 7.009 201 3HD1 LEU 24 3HD1 LEU 24 -11.844 -15.418 8.437 202 1HD2 LEU 24 1HD2 LEU 24 -10.035 -16.491 5.310 203 2HD2 LEU 24 2HD2 LEU 24 -8.971 -16.903 6.656 204 3HD2 LEU 24 3HD2 LEU 24 -8.617 -15.497 5.653 205 H ILE 25 H ILE 25 -10.155 -12.874 3.022 206 HA ILE 25 HA ILE 25 -11.278 -10.228 2.986 207 HB ILE 25 HB ILE 25 -10.865 -12.266 0.786 208 1HG1 ILE 25 1HG1 ILE 25 -9.381 -9.712 1.483 209 2HG1 ILE 25 2HG1 ILE 25 -8.802 -11.347 1.776 210 1HG2 ILE 25 1HG2 ILE 25 -11.325 -10.425 -0.791 211 2HG2 ILE 25 2HG2 ILE 25 -11.791 -9.401 0.567 212 3HG2 ILE 25 3HG2 ILE 25 -12.734 -10.840 0.185 213 1HD1 ILE 25 1HD1 ILE 25 -9.316 -10.115 -0.924 214 2HD1 ILE 25 2HD1 ILE 25 -8.725 -11.752 -0.629 215 3HD1 ILE 25 3HD1 ILE 25 -7.741 -10.363 -0.169 216 H VAL 26 H VAL 26 -13.233 -10.150 3.937 217 HA VAL 26 HA VAL 26 -15.250 -12.164 3.335 218 HB VAL 26 HB VAL 26 -16.628 -10.936 5.039 219 1HG1 VAL 26 1HG1 VAL 26 -13.897 -11.866 5.950 220 2HG1 VAL 26 2HG1 VAL 26 -15.293 -12.898 5.642 221 3HG1 VAL 26 3HG1 VAL 26 -15.334 -11.734 6.966 222 1HG2 VAL 26 1HG2 VAL 26 -14.084 -9.350 5.447 223 2HG2 VAL 26 2HG2 VAL 26 -15.504 -9.300 6.493 224 3HG2 VAL 26 3HG2 VAL 26 -15.612 -8.722 4.830 225 H GLU 27 H GLU 27 -14.792 -8.663 2.990 226 HA GLU 27 HA GLU 27 -17.227 -8.547 1.322 227 1HB GLU 27 1HB GLU 27 -15.894 -6.399 2.986 228 2HB GLU 27 2HB GLU 27 -17.286 -6.132 1.947 229 1HG GLU 27 1HG GLU 27 -17.241 -8.026 4.287 230 2HG GLU 27 2HG GLU 27 -17.824 -6.365 4.360 231 H MET 28 H MET 28 -16.579 -8.641 -0.760 232 HA MET 28 HA MET 28 -14.436 -6.791 -1.597 233 1HB MET 28 1HB MET 28 -14.307 -8.571 -3.595 234 2HB MET 28 2HB MET 28 -13.346 -8.720 -2.134 235 1HG MET 28 1HG MET 28 -14.407 -10.831 -2.871 236 2HG MET 28 2HG MET 28 -14.827 -10.350 -1.229 237 1HE MET 28 1HE MET 28 -16.780 -12.178 -1.337 238 2HE MET 28 2HE MET 28 -16.389 -12.560 -3.014 239 3HE MET 28 3HE MET 28 -18.049 -12.176 -2.563 240 H GLU 29 H GLU 29 -14.781 -5.582 -3.434 241 HA GLU 29 HA GLU 29 -17.444 -4.914 -4.044 242 1HB GLU 29 1HB GLU 29 -15.496 -3.383 -4.294 243 2HB GLU 29 2HB GLU 29 -14.965 -4.322 -5.684 244 1HG GLU 29 1HG GLU 29 -16.997 -3.733 -6.883 245 2HG GLU 29 2HG GLU 29 -17.583 -2.841 -5.480 246 H ASN 30 H ASN 30 -15.085 -6.925 -5.722 247 HA ASN 30 HA ASN 30 -17.010 -7.599 -7.812 248 1HB ASN 30 1HB ASN 30 -14.696 -7.171 -8.499 249 2HB ASN 30 2HB ASN 30 -14.119 -8.417 -7.400 250 1HD2 ASN 30 1HD2 ASN 30 -15.843 -7.806 -10.375 251 2HD2 ASN 30 2HD2 ASN 30 -15.700 -9.410 -11.005 252 HA PRO 31 HA PRO 31 -18.674 -11.233 -5.849 253 1HB PRO 31 1HB PRO 31 -18.628 -12.853 -8.158 254 2HB PRO 31 2HB PRO 31 -19.952 -11.801 -7.644 255 1HG PRO 31 1HG PRO 31 -17.732 -11.245 -9.581 256 2HG PRO 31 2HG PRO 31 -19.455 -10.818 -9.697 257 1HD PRO 31 1HD PRO 31 -17.700 -8.965 -9.031 258 2HD PRO 31 2HD PRO 31 -19.229 -9.071 -8.125 259 H ALA 32 H ALA 32 -15.898 -11.637 -8.032 260 HA ALA 32 HA ALA 32 -15.016 -14.013 -6.598 261 1HB ALA 32 1HB ALA 32 -13.768 -12.565 -8.936 262 2HB ALA 32 2HB ALA 32 -14.813 -13.982 -9.030 263 3HB ALA 32 3HB ALA 32 -13.226 -14.105 -8.268 264 H LEU 33 H LEU 33 -13.512 -10.884 -7.505 265 HA LEU 33 HA LEU 33 -12.521 -10.341 -4.929 266 1HB LEU 33 1HB LEU 33 -11.175 -12.379 -5.479 267 2HB LEU 33 2HB LEU 33 -10.450 -11.491 -6.804 268 HG LEU 33 HG LEU 33 -9.455 -9.901 -5.224 269 1HD1 LEU 33 1HD1 LEU 33 -9.555 -10.314 -2.812 270 2HD1 LEU 33 2HD1 LEU 33 -10.700 -11.627 -3.083 271 3HD1 LEU 33 3HD1 LEU 33 -11.150 -9.967 -3.476 272 1HD2 LEU 33 1HD2 LEU 33 -7.851 -11.441 -4.169 273 2HD2 LEU 33 2HD2 LEU 33 -8.164 -11.852 -5.854 274 3HD2 LEU 33 3HD2 LEU 33 -8.909 -12.795 -4.564 275 H TRP 34 H TRP 34 -11.001 -10.103 -8.162 276 HA TRP 34 HA TRP 34 -10.144 -7.420 -7.558 277 1HB TRP 34 1HB TRP 34 -9.804 -9.057 -10.082 278 2HB TRP 34 2HB TRP 34 -8.991 -7.534 -9.731 279 HD1 TRP 34 HD1 TRP 34 -9.077 -11.197 -8.564 280 HE1 TRP 34 HE1 TRP 34 -6.873 -11.714 -7.371 281 HE3 TRP 34 HE3 TRP 34 -7.042 -6.510 -8.541 282 HZ2 TRP 34 HZ2 TRP 34 -4.561 -10.337 -6.529 283 HZ3 TRP 34 HZ3 TRP 34 -4.826 -6.199 -7.519 284 HH2 TRP 34 HH2 TRP 34 -3.613 -8.074 -6.533 285 H GLY 35 H GLY 35 -10.855 -5.543 -8.340 286 1HA GLY 35 1HA GLY 35 -12.208 -4.941 -10.635 287 2HA GLY 35 2HA GLY 35 -13.475 -5.420 -9.508 288 H GLY 36 H GLY 36 -12.473 -4.450 -7.144 289 1HA GLY 36 1HA GLY 36 -11.861 -1.641 -7.412 290 2HA GLY 36 2HA GLY 36 -13.514 -1.970 -6.913 291 H LYS 37 H LYS 37 -13.604 -1.472 -4.812 292 HA LYS 37 HA LYS 37 -11.295 -1.819 -3.123 293 1HB LYS 37 1HB LYS 37 -12.835 -0.836 -1.340 294 2HB LYS 37 2HB LYS 37 -12.410 0.189 -2.698 295 1HG LYS 37 1HG LYS 37 -14.701 0.551 -2.248 296 2HG LYS 37 2HG LYS 37 -14.622 -0.398 -3.730 297 1HD LYS 37 1HD LYS 37 -15.235 -2.404 -2.545 298 2HD LYS 37 2HD LYS 37 -15.119 -1.576 -0.990 299 1HE LYS 37 1HE LYS 37 -17.448 -1.803 -1.651 300 2HE LYS 37 2HE LYS 37 -16.979 -0.105 -1.646 301 1HZ LYS 37 1HZ LYS 37 -16.558 -0.478 -4.135 302 2HZ LYS 37 2HZ LYS 37 -18.158 -0.351 -3.607 303 3HZ LYS 37 3HZ LYS 37 -17.506 -1.869 -3.951 304 H VAL 38 H VAL 38 -11.575 -2.719 -0.907 305 HA VAL 38 HA VAL 38 -13.353 -5.022 -0.711 306 HB VAL 38 HB VAL 38 -11.164 -5.718 -1.864 307 1HG1 VAL 38 1HG1 VAL 38 -9.638 -4.355 -0.537 308 2HG1 VAL 38 2HG1 VAL 38 -9.213 -6.063 -0.435 309 3HG1 VAL 38 3HG1 VAL 38 -10.048 -5.280 0.907 310 1HG2 VAL 38 1HG2 VAL 38 -11.859 -7.090 0.734 311 2HG2 VAL 38 2HG2 VAL 38 -10.984 -7.806 -0.621 312 3HG2 VAL 38 3HG2 VAL 38 -12.671 -7.333 -0.812 313 H THR 39 H THR 39 -13.134 -6.023 1.507 314 HA THR 39 HA THR 39 -11.902 -4.303 3.521 315 HB THR 39 HB THR 39 -14.792 -5.210 3.686 316 HG1 THR 39 HG1 THR 39 -13.581 -2.922 2.742 317 1HG2 THR 39 1HG2 THR 39 -13.145 -3.521 5.585 318 2HG2 THR 39 2HG2 THR 39 -13.698 -5.169 5.883 319 3HG2 THR 39 3HG2 THR 39 -14.870 -3.859 5.741 320 H LEU 40 H LEU 40 -10.724 -5.515 4.821 321 HA LEU 40 HA LEU 40 -10.883 -8.373 4.867 322 1HB LEU 40 1HB LEU 40 -9.311 -6.387 6.522 323 2HB LEU 40 2HB LEU 40 -9.193 -8.119 6.750 324 HG LEU 40 HG LEU 40 -7.321 -7.461 5.451 325 1HD1 LEU 40 1HD1 LEU 40 -9.382 -8.686 3.616 326 2HD1 LEU 40 2HD1 LEU 40 -8.350 -9.548 4.759 327 3HD1 LEU 40 3HD1 LEU 40 -7.635 -8.720 3.378 328 1HD2 LEU 40 1HD2 LEU 40 -9.234 -6.078 3.566 329 2HD2 LEU 40 2HD2 LEU 40 -7.493 -6.240 3.338 330 3HD2 LEU 40 3HD2 LEU 40 -8.121 -5.293 4.685 331 H ALA 41 H ALA 41 -11.202 -9.636 6.876 332 HA ALA 41 HA ALA 41 -13.685 -9.035 8.071 333 1HB ALA 41 1HB ALA 41 -12.835 -11.320 7.835 334 2HB ALA 41 2HB ALA 41 -13.267 -10.967 9.508 335 3HB ALA 41 3HB ALA 41 -11.573 -10.977 9.018 336 H ASN 42 H ASN 42 -10.548 -7.945 8.800 337 HA ASN 42 HA ASN 42 -10.919 -7.404 11.588 338 1HB ASN 42 1HB ASN 42 -8.667 -7.701 10.720 339 2HB ASN 42 2HB ASN 42 -8.883 -6.364 9.595 340 1HD2 ASN 42 1HD2 ASN 42 -8.312 -7.271 12.900 341 2HD2 ASN 42 2HD2 ASN 42 -7.897 -5.693 13.475 342 H GLY 43 H GLY 43 -11.535 -5.704 8.598 343 1HA GLY 43 1HA GLY 43 -13.342 -3.986 8.828 344 2HA GLY 43 2HA GLY 43 -12.374 -3.309 10.128 345 H TRP 44 H TRP 44 -9.929 -4.036 8.432 346 HA TRP 44 HA TRP 44 -9.468 -1.502 7.328 347 1HB TRP 44 1HB TRP 44 -8.077 -4.156 6.926 348 2HB TRP 44 2HB TRP 44 -7.509 -2.672 6.169 349 HD1 TRP 44 HD1 TRP 44 -8.832 -2.296 9.693 350 HE1 TRP 44 HE1 TRP 44 -6.869 -1.878 11.297 351 HE3 TRP 44 HE3 TRP 44 -4.956 -3.303 6.512 352 HZ2 TRP 44 HZ2 TRP 44 -4.047 -1.967 11.228 353 HZ3 TRP 44 HZ3 TRP 44 -2.655 -3.113 7.359 354 HH2 TRP 44 HH2 TRP 44 -2.211 -2.458 9.670 355 H GLN 45 H GLN 45 -9.849 -0.615 5.404 356 HA GLN 45 HA GLN 45 -11.039 -2.270 3.280 357 1HB GLN 45 1HB GLN 45 -11.136 0.722 3.751 358 2HB GLN 45 2HB GLN 45 -11.829 -0.084 2.350 359 1HG GLN 45 1HG GLN 45 -13.367 -1.307 3.787 360 2HG GLN 45 2HG GLN 45 -12.648 -0.558 5.214 361 1HE2 GLN 45 1HE2 GLN 45 -14.657 -0.051 2.411 362 2HE2 GLN 45 2HE2 GLN 45 -15.316 1.467 2.914 363 H LEU 46 H LEU 46 -10.109 -2.371 1.287 364 HA LEU 46 HA LEU 46 -7.646 -0.831 0.794 365 1HB LEU 46 1HB LEU 46 -7.047 -3.063 1.680 366 2HB LEU 46 2HB LEU 46 -7.980 -3.816 0.401 367 HG LEU 46 HG LEU 46 -6.414 -2.757 -1.262 368 1HD1 LEU 46 1HD1 LEU 46 -4.815 -2.111 1.215 369 2HD1 LEU 46 2HD1 LEU 46 -5.571 -0.947 0.128 370 3HD1 LEU 46 3HD1 LEU 46 -4.249 -1.959 -0.448 371 1HD2 LEU 46 1HD2 LEU 46 -6.198 -5.099 -0.602 372 2HD2 LEU 46 2HD2 LEU 46 -5.181 -4.632 0.761 373 3HD2 LEU 46 3HD2 LEU 46 -4.617 -4.374 -0.890 374 H GLU 47 H GLU 47 -7.337 -0.254 -1.344 375 HA GLU 47 HA GLU 47 -9.591 -0.768 -3.145 376 1HB GLU 47 1HB GLU 47 -8.916 1.582 -2.753 377 2HB GLU 47 2HB GLU 47 -7.322 1.224 -3.408 378 1HG GLU 47 1HG GLU 47 -8.517 0.516 -5.538 379 2HG GLU 47 2HG GLU 47 -9.961 1.257 -4.852 380 H LEU 48 H LEU 48 -9.343 -2.521 -4.378 381 HA LEU 48 HA LEU 48 -6.722 -3.236 -5.454 382 1HB LEU 48 1HB LEU 48 -9.403 -4.617 -5.392 383 2HB LEU 48 2HB LEU 48 -8.119 -5.180 -6.447 384 HG LEU 48 HG LEU 48 -8.110 -6.532 -4.468 385 1HD1 LEU 48 1HD1 LEU 48 -5.844 -6.189 -3.648 386 2HD1 LEU 48 2HD1 LEU 48 -5.824 -4.567 -4.339 387 3HD1 LEU 48 3HD1 LEU 48 -5.925 -5.975 -5.396 388 1HD2 LEU 48 1HD2 LEU 48 -7.859 -3.973 -2.881 389 2HD2 LEU 48 2HD2 LEU 48 -7.803 -5.611 -2.227 390 3HD2 LEU 48 3HD2 LEU 48 -9.286 -5.007 -2.964 391 HA PRO 49 HA PRO 49 -7.676 -1.470 -9.461 392 1HB PRO 49 1HB PRO 49 -5.798 -3.409 -10.623 393 2HB PRO 49 2HB PRO 49 -5.664 -1.652 -10.524 394 1HG PRO 49 1HG PRO 49 -4.094 -3.310 -9.068 395 2HG PRO 49 2HG PRO 49 -4.596 -1.713 -8.482 396 1HD PRO 49 1HD PRO 49 -5.703 -4.419 -7.795 397 2HD PRO 49 2HD PRO 49 -5.375 -3.031 -6.732 398 H ALA 50 H ALA 50 -8.656 -2.130 -11.476 399 HA ALA 50 HA ALA 50 -10.332 -4.451 -11.186 400 1HB ALA 50 1HB ALA 50 -11.325 -3.751 -13.322 401 2HB ALA 50 2HB ALA 50 -10.090 -2.499 -13.480 402 3HB ALA 50 3HB ALA 50 -11.256 -2.430 -12.156 403 H MET 51 H MET 51 -8.497 -5.918 -11.060 404 HA MET 51 HA MET 51 -7.168 -6.571 -13.589 405 1HB MET 51 1HB MET 51 -6.775 -7.636 -10.776 406 2HB MET 51 2HB MET 51 -5.833 -8.132 -12.175 407 1HG MET 51 1HG MET 51 -5.949 -5.320 -11.099 408 2HG MET 51 2HG MET 51 -4.681 -6.489 -10.734 409 1HE MET 51 1HE MET 51 -2.788 -4.839 -11.553 410 2HE MET 51 2HE MET 51 -4.014 -3.613 -11.877 411 3HE MET 51 3HE MET 51 -2.818 -4.010 -13.109 412 H ALA 52 H ALA 52 -6.787 -9.259 -13.380 413 HA ALA 52 HA ALA 52 -9.260 -10.387 -14.176 414 1HB ALA 52 1HB ALA 52 -7.097 -11.237 -14.977 415 2HB ALA 52 2HB ALA 52 -8.057 -12.517 -14.233 416 3HB ALA 52 3HB ALA 52 -6.711 -11.794 -13.348 417 H ALA 53 H ALA 53 -10.898 -10.906 -12.891 418 HA ALA 53 HA ALA 53 -10.984 -10.586 -10.167 419 1HB ALA 53 1HB ALA 53 -13.114 -11.776 -10.206 420 2HB ALA 53 2HB ALA 53 -12.730 -12.436 -11.797 421 3HB ALA 53 3HB ALA 53 -12.972 -10.701 -11.597 422 H ASP 54 H ASP 54 -10.290 -13.566 -11.942 423 HA ASP 54 HA ASP 54 -9.167 -14.585 -9.417 424 1HB ASP 54 1HB ASP 54 -11.020 -16.021 -10.233 425 2HB ASP 54 2HB ASP 54 -10.141 -16.268 -11.743 426 H THR 55 H THR 55 -7.262 -13.455 -9.809 427 HA THR 55 HA THR 55 -5.626 -13.804 -12.082 428 HB THR 55 HB THR 55 -4.803 -13.170 -9.230 429 HG1 THR 55 HG1 THR 55 -6.384 -11.783 -10.687 430 1HG2 THR 55 1HG2 THR 55 -3.379 -12.636 -11.849 431 2HG2 THR 55 2HG2 THR 55 -2.893 -13.818 -10.634 432 3HG2 THR 55 3HG2 THR 55 -2.842 -12.096 -10.258 433 HA PRO 56 HA PRO 56 -4.627 -18.111 -11.721 434 1HB PRO 56 1HB PRO 56 -2.028 -17.926 -12.793 435 2HB PRO 56 2HB PRO 56 -3.517 -18.199 -13.700 436 1HG PRO 56 1HG PRO 56 -2.025 -15.654 -13.226 437 2HG PRO 56 2HG PRO 56 -2.887 -16.200 -14.678 438 1HD PRO 56 1HD PRO 56 -3.961 -14.363 -13.071 439 2HD PRO 56 2HD PRO 56 -4.976 -15.627 -13.801 440 H LEU 57 H LEU 57 -2.331 -15.702 -10.528 441 HA LEU 57 HA LEU 57 -1.501 -17.598 -8.442 442 1HB LEU 57 1HB LEU 57 0.835 -16.619 -8.662 443 2HB LEU 57 2HB LEU 57 0.314 -17.713 -9.926 444 HG LEU 57 HG LEU 57 -0.255 -15.626 -11.300 445 1HD1 LEU 57 1HD1 LEU 57 1.462 -14.310 -9.197 446 2HD1 LEU 57 2HD1 LEU 57 -0.236 -13.968 -9.530 447 3HD1 LEU 57 3HD1 LEU 57 0.992 -13.590 -10.736 448 1HD2 LEU 57 1HD2 LEU 57 2.056 -15.363 -12.051 449 2HD2 LEU 57 2HD2 LEU 57 1.655 -17.058 -11.775 450 3HD2 LEU 57 3HD2 LEU 57 2.626 -16.178 -10.593 451 HA PRO 58 HA PRO 58 -2.048 -14.227 -5.577 452 1HB PRO 58 1HB PRO 58 0.012 -14.645 -3.823 453 2HB PRO 58 2HB PRO 58 -1.459 -15.625 -3.842 454 1HG PRO 58 1HG PRO 58 1.222 -16.214 -5.048 455 2HG PRO 58 2HG PRO 58 0.144 -17.292 -4.140 456 1HD PRO 58 1HD PRO 58 0.296 -17.354 -6.834 457 2HD PRO 58 2HD PRO 58 -1.225 -17.669 -5.972 458 H ILE 59 H ILE 59 -1.639 -12.300 -6.539 459 HA ILE 59 HA ILE 59 1.140 -11.616 -7.223 460 HB ILE 59 HB ILE 59 -0.415 -11.593 -9.107 461 1HG1 ILE 59 1HG1 ILE 59 0.443 -8.799 -8.289 462 2HG1 ILE 59 2HG1 ILE 59 1.442 -9.980 -9.128 463 1HG2 ILE 59 1HG2 ILE 59 -1.956 -9.508 -7.555 464 2HG2 ILE 59 2HG2 ILE 59 -2.489 -11.148 -7.923 465 3HG2 ILE 59 3HG2 ILE 59 -2.268 -9.982 -9.226 466 1HD1 ILE 59 1HD1 ILE 59 0.621 -8.322 -10.671 467 2HD1 ILE 59 2HD1 ILE 59 -1.043 -8.662 -10.200 468 3HD1 ILE 59 3HD1 ILE 59 -0.096 -9.890 -11.042 469 H THR 60 H THR 60 2.068 -9.729 -6.547 470 HA THR 60 HA THR 60 0.807 -8.290 -4.349 471 HB THR 60 HB THR 60 3.575 -8.018 -5.570 472 HG1 THR 60 HG1 THR 60 3.948 -9.725 -4.385 473 1HG2 THR 60 1HG2 THR 60 4.119 -6.722 -3.548 474 2HG2 THR 60 2HG2 THR 60 2.433 -6.812 -3.039 475 3HG2 THR 60 3HG2 THR 60 2.867 -5.931 -4.505 476 H VAL 61 H VAL 61 -0.011 -6.249 -4.531 477 HA VAL 61 HA VAL 61 0.421 -4.765 -7.037 478 HB VAL 61 HB VAL 61 -1.983 -4.167 -7.131 479 1HG1 VAL 61 1HG1 VAL 61 -2.791 -6.297 -8.039 480 2HG1 VAL 61 2HG1 VAL 61 -1.449 -7.141 -7.264 481 3HG1 VAL 61 3HG1 VAL 61 -1.134 -5.968 -8.544 482 1HG2 VAL 61 1HG2 VAL 61 -2.312 -6.276 -4.985 483 2HG2 VAL 61 2HG2 VAL 61 -3.623 -5.467 -5.845 484 3HG2 VAL 61 3HG2 VAL 61 -2.562 -4.540 -4.784 485 H GLU 62 H GLU 62 -0.739 -2.523 -6.793 486 HA GLU 62 HA GLU 62 0.554 -1.157 -4.680 487 1HB GLU 62 1HB GLU 62 -1.573 -0.232 -6.628 488 2HB GLU 62 2HB GLU 62 -0.755 0.836 -5.497 489 1HG GLU 62 1HG GLU 62 0.296 1.108 -7.597 490 2HG GLU 62 2HG GLU 62 1.409 0.196 -6.584 491 H ALA 63 H ALA 63 -0.072 -0.930 -2.647 492 HA ALA 63 HA ALA 63 -2.777 -1.640 -1.837 493 1HB ALA 63 1HB ALA 63 -0.383 -0.928 -0.139 494 2HB ALA 63 2HB ALA 63 -0.849 -2.560 -0.616 495 3HB ALA 63 3HB ALA 63 -1.907 -1.612 0.430 496 H ARG 64 H ARG 64 -4.241 -0.058 -2.008 497 HA ARG 64 HA ARG 64 -3.604 2.568 -0.812 498 1HB ARG 64 1HB ARG 64 -5.691 1.826 -2.883 499 2HB ARG 64 2HB ARG 64 -5.686 3.363 -2.034 500 1HG ARG 64 1HG ARG 64 -4.702 3.720 -4.163 501 2HG ARG 64 2HG ARG 64 -3.406 3.790 -2.971 502 1HD ARG 64 1HD ARG 64 -2.793 2.536 -5.014 503 2HD ARG 64 2HD ARG 64 -2.689 1.561 -3.548 504 HE ARG 64 HE ARG 64 -4.841 0.569 -4.197 505 1HH1 ARG 64 1HH1 ARG 64 -2.952 2.176 -6.670 506 2HH1 ARG 64 2HH1 ARG 64 -3.704 1.310 -7.973 507 1HH2 ARG 64 1HH2 ARG 64 -5.801 -0.586 -5.894 508 2HH2 ARG 64 2HH2 ARG 64 -5.328 -0.255 -7.531 509 H LYS 65 H LYS 65 -4.134 2.304 1.306 510 HA LYS 65 HA LYS 65 -6.455 0.748 2.074 511 1HB LYS 65 1HB LYS 65 -4.406 0.653 3.439 512 2HB LYS 65 2HB LYS 65 -4.538 2.378 3.766 513 1HG LYS 65 1HG LYS 65 -6.661 1.991 4.938 514 2HG LYS 65 2HG LYS 65 -6.520 0.260 4.617 515 1HD LYS 65 1HD LYS 65 -4.470 0.168 5.941 516 2HD LYS 65 2HD LYS 65 -4.551 1.910 6.216 517 1HE LYS 65 1HE LYS 65 -6.596 -0.121 7.130 518 2HE LYS 65 2HE LYS 65 -5.376 0.639 8.151 519 1HZ LYS 65 1HZ LYS 65 -6.404 2.803 7.602 520 2HZ LYS 65 2HZ LYS 65 -7.443 1.768 8.438 521 3HZ LYS 65 3HZ LYS 65 -7.635 1.988 6.772 522 H LEU 66 H LEU 66 -8.424 1.560 2.181 523 HA LEU 66 HA LEU 66 -8.869 4.412 1.935 524 1HB LEU 66 1HB LEU 66 -10.869 2.146 2.147 525 2HB LEU 66 2HB LEU 66 -11.226 3.795 1.673 526 HG LEU 66 HG LEU 66 -9.527 1.839 0.106 527 1HD1 LEU 66 1HD1 LEU 66 -11.362 1.871 -1.509 528 2HD1 LEU 66 2HD1 LEU 66 -12.294 2.919 -0.439 529 3HD1 LEU 66 3HD1 LEU 66 -11.900 1.273 0.060 530 1HD2 LEU 66 1HD2 LEU 66 -9.544 3.547 -1.654 531 2HD2 LEU 66 2HD2 LEU 66 -8.744 4.127 -0.193 532 3HD2 LEU 66 3HD2 LEU 66 -10.384 4.656 -0.570 Start of MODEL 4 1 H MET 1 H MET 1 0.008 2.148 -0.648 2 HA MET 1 HA MET 1 0.930 1.285 -2.703 3 1HB MET 1 1HB MET 1 3.246 0.954 -1.836 4 2HB MET 1 2HB MET 1 2.434 2.354 -1.159 5 1HG MET 1 1HG MET 1 1.979 1.101 0.894 6 2HG MET 1 2HG MET 1 2.788 -0.309 0.210 7 1HE MET 1 1HE MET 1 5.347 0.883 2.935 8 2HE MET 1 2HE MET 1 4.392 -0.470 2.327 9 3HE MET 1 3HE MET 1 3.587 0.925 3.045 10 H LYS 2 H LYS 2 3.065 -0.878 -1.661 11 HA LYS 2 HA LYS 2 1.943 -2.895 -3.312 12 1HB LYS 2 1HB LYS 2 4.447 -2.231 -2.928 13 2HB LYS 2 2HB LYS 2 4.345 -3.300 -1.537 14 1HG LYS 2 1HG LYS 2 5.263 -4.542 -3.349 15 2HG LYS 2 2HG LYS 2 3.617 -5.124 -3.087 16 1HD LYS 2 1HD LYS 2 2.820 -3.767 -4.958 17 2HD LYS 2 2HD LYS 2 4.445 -3.119 -5.197 18 1HE LYS 2 1HE LYS 2 5.240 -5.432 -5.657 19 2HE LYS 2 2HE LYS 2 3.571 -5.991 -5.535 20 1HZ LYS 2 1HZ LYS 2 4.570 -3.998 -7.502 21 2HZ LYS 2 2HZ LYS 2 2.991 -4.589 -7.407 22 3HZ LYS 2 3HZ LYS 2 4.256 -5.627 -7.833 23 H VAL 3 H VAL 3 0.890 -4.701 -2.738 24 HA VAL 3 HA VAL 3 0.890 -5.657 0.005 25 HB VAL 3 HB VAL 3 -0.895 -3.881 -0.166 26 1HG1 VAL 3 1HG1 VAL 3 -1.612 -4.266 -2.454 27 2HG1 VAL 3 2HG1 VAL 3 -2.975 -4.417 -1.345 28 3HG1 VAL 3 3HG1 VAL 3 -2.221 -5.864 -2.017 29 1HG2 VAL 3 1HG2 VAL 3 -0.989 -5.590 1.545 30 2HG2 VAL 3 2HG2 VAL 3 -1.827 -6.683 0.441 31 3HG2 VAL 3 3HG2 VAL 3 -2.612 -5.197 0.979 32 H MET 4 H MET 4 0.127 -7.836 0.169 33 HA MET 4 HA MET 4 0.194 -9.230 -2.422 34 1HB MET 4 1HB MET 4 1.968 -9.822 -0.813 35 2HB MET 4 2HB MET 4 0.746 -10.299 0.358 36 1HG MET 4 1HG MET 4 -0.018 -12.063 -1.170 37 2HG MET 4 2HG MET 4 1.229 -11.593 -2.323 38 1HE MET 4 1HE MET 4 2.572 -15.021 -0.967 39 2HE MET 4 2HE MET 4 2.139 -14.093 -2.403 40 3HE MET 4 3HE MET 4 0.887 -14.586 -1.260 41 H ILE 5 H ILE 5 -1.585 -10.148 -3.167 42 HA ILE 5 HA ILE 5 -3.815 -10.711 -1.313 43 HB ILE 5 HB ILE 5 -3.919 -10.352 -4.323 44 1HG1 ILE 5 1HG1 ILE 5 -3.337 -8.246 -3.186 45 2HG1 ILE 5 2HG1 ILE 5 -4.954 -8.175 -3.872 46 1HG2 ILE 5 1HG2 ILE 5 -5.695 -11.796 -3.485 47 2HG2 ILE 5 2HG2 ILE 5 -6.358 -10.246 -4.000 48 3HG2 ILE 5 3HG2 ILE 5 -6.141 -10.585 -2.283 49 1HD1 ILE 5 1HD1 ILE 5 -4.286 -8.637 -0.974 50 2HD1 ILE 5 2HD1 ILE 5 -5.910 -8.562 -1.659 51 3HD1 ILE 5 3HD1 ILE 5 -4.873 -7.135 -1.685 52 H ARG 6 H ARG 6 -4.428 -12.783 -1.044 53 HA ARG 6 HA ARG 6 -2.989 -14.829 -2.572 54 1HB ARG 6 1HB ARG 6 -4.450 -15.056 0.068 55 2HB ARG 6 2HB ARG 6 -3.548 -16.347 -0.715 56 1HG ARG 6 1HG ARG 6 -1.482 -15.028 -0.483 57 2HG ARG 6 2HG ARG 6 -2.400 -13.759 0.330 58 1HD ARG 6 1HD ARG 6 -3.051 -15.425 2.065 59 2HD ARG 6 2HD ARG 6 -1.987 -16.595 1.284 60 HE ARG 6 HE ARG 6 -0.325 -14.532 1.737 61 1HH1 ARG 6 1HH1 ARG 6 -2.572 -16.241 3.821 62 2HH1 ARG 6 2HH1 ARG 6 -1.672 -15.908 5.267 63 1HH2 ARG 6 1HH2 ARG 6 0.857 -14.105 3.628 64 2HH2 ARG 6 2HH2 ARG 6 0.274 -14.678 5.162 65 H LYS 7 H LYS 7 -4.038 -15.764 -4.157 66 HA LYS 7 HA LYS 7 -6.925 -16.297 -3.907 67 1HB LYS 7 1HB LYS 7 -5.087 -16.062 -6.292 68 2HB LYS 7 2HB LYS 7 -6.623 -16.906 -6.419 69 1HG LYS 7 1HG LYS 7 -6.351 -14.041 -5.517 70 2HG LYS 7 2HG LYS 7 -6.658 -14.529 -7.184 71 1HD LYS 7 1HD LYS 7 -8.430 -15.116 -4.800 72 2HD LYS 7 2HD LYS 7 -8.735 -13.909 -6.048 73 1HE LYS 7 1HE LYS 7 -8.557 -16.894 -6.501 74 2HE LYS 7 2HE LYS 7 -10.048 -15.961 -6.401 75 1HZ LYS 7 1HZ LYS 7 -9.372 -14.735 -8.371 76 2HZ LYS 7 2HZ LYS 7 -9.417 -16.392 -8.691 77 3HZ LYS 7 3HZ LYS 7 -7.934 -15.620 -8.461 78 H THR 8 H THR 8 -7.323 -18.275 -3.125 79 HA THR 8 HA THR 8 -5.897 -20.543 -4.329 80 HB THR 8 HB THR 8 -6.436 -20.323 -1.349 81 HG1 THR 8 HG1 THR 8 -4.211 -19.724 -2.955 82 1HG2 THR 8 1HG2 THR 8 -6.493 -22.636 -2.183 83 2HG2 THR 8 2HG2 THR 8 -5.056 -22.359 -1.198 84 3HG2 THR 8 3HG2 THR 8 -4.924 -22.401 -2.956 85 H ALA 9 H ALA 9 -7.898 -20.454 -5.566 86 HA ALA 9 HA ALA 9 -10.015 -21.024 -6.124 87 1HB ALA 9 1HB ALA 9 -9.661 -23.063 -3.924 88 2HB ALA 9 2HB ALA 9 -9.157 -23.256 -5.603 89 3HB ALA 9 3HB ALA 9 -10.871 -23.121 -5.206 90 H THR 10 H THR 10 -10.708 -22.028 -2.844 91 HA THR 10 HA THR 10 -12.746 -19.933 -2.666 92 HB THR 10 HB THR 10 -13.435 -22.276 -2.256 93 HG1 THR 10 HG1 THR 10 -14.766 -21.699 -0.657 94 1HG2 THR 10 1HG2 THR 10 -11.361 -23.115 -1.255 95 2HG2 THR 10 2HG2 THR 10 -12.748 -23.431 -0.213 96 3HG2 THR 10 3HG2 THR 10 -11.639 -22.114 0.170 97 H GLY 11 H GLY 11 -9.734 -20.935 -1.272 98 1HA GLY 11 1HA GLY 11 -9.838 -19.340 1.089 99 2HA GLY 11 2HA GLY 11 -8.395 -20.026 0.353 100 H HIS 12 H HIS 12 -10.017 -17.195 1.035 101 HA HIS 12 HA HIS 12 -8.329 -15.696 -0.870 102 1HB HIS 12 1HB HIS 12 -11.056 -14.799 0.115 103 2HB HIS 12 2HB HIS 12 -10.062 -14.032 -1.119 104 HD1 HIS 12 HD1 HIS 12 -12.928 -16.103 -0.805 105 HD2 HIS 12 HD2 HIS 12 -9.692 -16.001 -3.422 106 HE1 HIS 12 HE1 HIS 12 -13.673 -17.352 -2.859 107 HE2 HIS 12 HE2 HIS 12 -11.653 -17.409 -4.362 108 H SER 13 H SER 13 -6.858 -14.533 0.210 109 HA SER 13 HA SER 13 -7.588 -13.166 2.676 110 1HB SER 13 1HB SER 13 -5.449 -14.028 3.768 111 2HB SER 13 2HB SER 13 -6.751 -15.204 3.607 112 HG SER 13 HG SER 13 -4.996 -16.247 2.860 113 H ALA 14 H ALA 14 -5.875 -11.611 3.339 114 HA ALA 14 HA ALA 14 -4.049 -10.852 1.170 115 1HB ALA 14 1HB ALA 14 -4.730 -8.529 1.243 116 2HB ALA 14 2HB ALA 14 -5.918 -8.881 2.497 117 3HB ALA 14 3HB ALA 14 -6.131 -9.536 0.873 118 H TYR 15 H TYR 15 -2.170 -9.919 1.851 119 HA TYR 15 HA TYR 15 -1.812 -9.661 4.769 120 1HB TYR 15 1HB TYR 15 -0.500 -11.517 3.874 121 2HB TYR 15 2HB TYR 15 0.210 -10.465 2.654 122 HD1 TYR 15 HD1 TYR 15 2.396 -9.823 3.077 123 HD2 TYR 15 HD2 TYR 15 -0.213 -10.449 6.383 124 HE1 TYR 15 HE1 TYR 15 4.225 -9.263 4.621 125 HE2 TYR 15 HE2 TYR 15 1.610 -9.895 7.934 126 HH TYR 15 HH TYR 15 3.938 -9.729 8.061 127 H VAL 16 H VAL 16 -2.034 -7.553 5.162 128 HA VAL 16 HA VAL 16 -1.020 -5.500 3.429 129 HB VAL 16 HB VAL 16 -1.960 -5.259 6.304 130 1HG1 VAL 16 1HG1 VAL 16 -2.336 -2.891 5.747 131 2HG1 VAL 16 2HG1 VAL 16 -1.638 -3.160 4.150 132 3HG1 VAL 16 3HG1 VAL 16 -0.637 -3.338 5.591 133 1HG2 VAL 16 1HG2 VAL 16 -3.708 -6.221 4.897 134 2HG2 VAL 16 2HG2 VAL 16 -3.517 -4.906 3.736 135 3HG2 VAL 16 3HG2 VAL 16 -4.120 -4.569 5.359 136 H ALA 17 H ALA 17 1.162 -5.988 3.210 137 HA ALA 17 HA ALA 17 3.018 -6.556 5.183 138 1HB ALA 17 1HB ALA 17 4.718 -5.785 3.594 139 2HB ALA 17 2HB ALA 17 3.467 -4.997 2.633 140 3HB ALA 17 3HB ALA 17 3.482 -6.753 2.789 141 H LYS 18 H LYS 18 1.614 -3.506 4.281 142 HA LYS 18 HA LYS 18 3.408 -1.709 5.421 143 1HB LYS 18 1HB LYS 18 1.642 -0.913 4.003 144 2HB LYS 18 2HB LYS 18 0.408 -1.571 5.067 145 1HG LYS 18 1HG LYS 18 0.558 0.853 5.267 146 2HG LYS 18 2HG LYS 18 0.986 0.059 6.783 147 1HD LYS 18 1HD LYS 18 3.389 0.331 6.185 148 2HD LYS 18 2HD LYS 18 2.894 1.238 4.753 149 1HE LYS 18 1HE LYS 18 1.864 2.935 6.138 150 2HE LYS 18 2HE LYS 18 2.203 1.997 7.592 151 1HZ LYS 18 1HZ LYS 18 4.588 2.241 7.087 152 2HZ LYS 18 2HZ LYS 18 3.824 3.716 7.377 153 3HZ LYS 18 3HZ LYS 18 4.199 3.259 5.794 154 H LYS 19 H LYS 19 0.857 -3.628 6.930 155 HA LYS 19 HA LYS 19 1.572 -2.440 9.541 156 1HB LYS 19 1HB LYS 19 -0.736 -1.915 8.749 157 2HB LYS 19 2HB LYS 19 -1.092 -3.636 8.728 158 1HG LYS 19 1HG LYS 19 -0.577 -3.686 11.185 159 2HG LYS 19 2HG LYS 19 -0.467 -1.926 11.133 160 1HD LYS 19 1HD LYS 19 -2.787 -1.802 10.359 161 2HD LYS 19 2HD LYS 19 -2.895 -3.564 10.382 162 1HE LYS 19 1HE LYS 19 -2.426 -1.766 12.764 163 2HE LYS 19 2HE LYS 19 -3.922 -2.613 12.375 164 1HZ LYS 19 1HZ LYS 19 -2.656 -3.778 14.074 165 2HZ LYS 19 2HZ LYS 19 -1.327 -3.907 13.039 166 3HZ LYS 19 3HZ LYS 19 -2.763 -4.719 12.672 167 H ASP 20 H ASP 20 2.013 -5.168 7.763 168 HA ASP 20 HA ASP 20 2.479 -7.358 8.204 169 1HB ASP 20 1HB ASP 20 3.987 -6.510 9.928 170 2HB ASP 20 2HB ASP 20 2.656 -6.329 11.060 171 H LEU 21 H LEU 21 -0.241 -6.213 8.234 172 HA LEU 21 HA LEU 21 -1.744 -7.898 10.073 173 1HB LEU 21 1HB LEU 21 -2.351 -5.507 9.641 174 2HB LEU 21 2HB LEU 21 -2.734 -5.933 7.988 175 HG LEU 21 HG LEU 21 -4.172 -7.230 10.309 176 1HD1 LEU 21 1HD1 LEU 21 -5.931 -5.542 10.072 177 2HD1 LEU 21 2HD1 LEU 21 -4.934 -4.659 8.914 178 3HD1 LEU 21 3HD1 LEU 21 -4.409 -4.819 10.590 179 1HD2 LEU 21 1HD2 LEU 21 -4.939 -6.760 7.419 180 2HD2 LEU 21 2HD2 LEU 21 -5.961 -7.517 8.640 181 3HD2 LEU 21 3HD2 LEU 21 -4.466 -8.300 8.136 182 H GLU 22 H GLU 22 -2.472 -9.847 9.517 183 HA GLU 22 HA GLU 22 -2.923 -10.450 6.662 184 1HB GLU 22 1HB GLU 22 -0.916 -11.631 7.559 185 2HB GLU 22 2HB GLU 22 -1.937 -12.391 8.774 186 1HG GLU 22 1HG GLU 22 -3.245 -13.459 6.981 187 2HG GLU 22 2HG GLU 22 -2.171 -12.731 5.787 188 H GLU 23 H GLU 23 -4.971 -11.040 6.226 189 HA GLU 23 HA GLU 23 -6.595 -12.376 8.219 190 1HB GLU 23 1HB GLU 23 -6.749 -9.928 8.782 191 2HB GLU 23 2HB GLU 23 -7.436 -9.657 7.190 192 1HG GLU 23 1HG GLU 23 -9.131 -9.740 8.959 193 2HG GLU 23 2HG GLU 23 -9.366 -10.973 7.723 194 H LEU 24 H LEU 24 -8.731 -12.945 7.375 195 HA LEU 24 HA LEU 24 -8.563 -13.830 4.640 196 1HB LEU 24 1HB LEU 24 -10.783 -14.108 6.680 197 2HB LEU 24 2HB LEU 24 -10.721 -14.931 5.130 198 HG LEU 24 HG LEU 24 -8.777 -15.336 7.416 199 1HD1 LEU 24 1HD1 LEU 24 -10.945 -17.144 6.342 200 2HD1 LEU 24 2HD1 LEU 24 -10.978 -16.283 7.882 201 3HD1 LEU 24 3HD1 LEU 24 -9.786 -17.553 7.609 202 1HD2 LEU 24 1HD2 LEU 24 -7.887 -17.181 6.060 203 2HD2 LEU 24 2HD2 LEU 24 -7.677 -15.624 5.261 204 3HD2 LEU 24 3HD2 LEU 24 -8.955 -16.720 4.735 205 H ILE 25 H ILE 25 -9.849 -13.217 2.942 206 HA ILE 25 HA ILE 25 -10.994 -10.569 3.041 207 HB ILE 25 HB ILE 25 -10.791 -12.590 0.794 208 1HG1 ILE 25 1HG1 ILE 25 -9.277 -10.013 1.328 209 2HG1 ILE 25 2HG1 ILE 25 -8.636 -11.643 1.510 210 1HG2 ILE 25 1HG2 ILE 25 -11.787 -9.740 0.703 211 2HG2 ILE 25 2HG2 ILE 25 -12.745 -11.196 0.434 212 3HG2 ILE 25 3HG2 ILE 25 -11.474 -10.755 -0.706 213 1HD1 ILE 25 1HD1 ILE 25 -7.854 -10.628 -0.546 214 2HD1 ILE 25 2HD1 ILE 25 -9.517 -10.361 -1.072 215 3HD1 ILE 25 3HD1 ILE 25 -8.899 -12.005 -0.898 216 H VAL 26 H VAL 26 -12.998 -10.258 3.768 217 HA VAL 26 HA VAL 26 -14.984 -12.419 3.500 218 HB VAL 26 HB VAL 26 -16.276 -11.172 5.239 219 1HG1 VAL 26 1HG1 VAL 26 -13.462 -11.957 6.026 220 2HG1 VAL 26 2HG1 VAL 26 -14.839 -13.048 5.861 221 3HG1 VAL 26 3HG1 VAL 26 -14.838 -11.816 7.123 222 1HG2 VAL 26 1HG2 VAL 26 -13.786 -9.463 5.410 223 2HG2 VAL 26 2HG2 VAL 26 -15.139 -9.423 6.541 224 3HG2 VAL 26 3HG2 VAL 26 -15.379 -8.936 4.864 225 H GLU 27 H GLU 27 -14.252 -9.187 2.522 226 HA GLU 27 HA GLU 27 -16.831 -9.008 1.112 227 1HB GLU 27 1HB GLU 27 -15.470 -6.842 2.721 228 2HB GLU 27 2HB GLU 27 -16.816 -6.546 1.630 229 1HG GLU 27 1HG GLU 27 -18.287 -7.849 2.988 230 2HG GLU 27 2HG GLU 27 -16.949 -8.420 3.985 231 H MET 28 H MET 28 -16.358 -9.005 -0.984 232 HA MET 28 HA MET 28 -13.916 -7.626 -1.907 233 1HB MET 28 1HB MET 28 -15.544 -9.570 -3.554 234 2HB MET 28 2HB MET 28 -13.878 -9.069 -3.792 235 1HG MET 28 1HG MET 28 -13.895 -11.322 -3.024 236 2HG MET 28 2HG MET 28 -13.271 -10.305 -1.726 237 1HE MET 28 1HE MET 28 -13.693 -12.530 -0.167 238 2HE MET 28 2HE MET 28 -14.460 -13.384 -1.506 239 3HE MET 28 3HE MET 28 -15.284 -13.257 0.047 240 H GLU 29 H GLU 29 -14.092 -6.298 -3.821 241 HA GLU 29 HA GLU 29 -16.546 -4.889 -4.199 242 1HB GLU 29 1HB GLU 29 -14.262 -3.942 -4.627 243 2HB GLU 29 2HB GLU 29 -14.122 -5.002 -6.021 244 1HG GLU 29 1HG GLU 29 -14.730 -2.877 -6.847 245 2HG GLU 29 2HG GLU 29 -16.180 -3.878 -6.947 246 H ASN 30 H ASN 30 -14.739 -7.268 -6.055 247 HA ASN 30 HA ASN 30 -16.877 -7.533 -8.034 248 1HB ASN 30 1HB ASN 30 -14.489 -7.203 -8.710 249 2HB ASN 30 2HB ASN 30 -14.095 -8.735 -7.955 250 1HD2 ASN 30 1HD2 ASN 30 -13.717 -7.885 -10.679 251 2HD2 ASN 30 2HD2 ASN 30 -14.583 -9.008 -11.672 252 HA PRO 31 HA PRO 31 -18.510 -11.323 -6.220 253 1HB PRO 31 1HB PRO 31 -19.046 -12.521 -8.709 254 2HB PRO 31 2HB PRO 31 -20.157 -11.500 -7.789 255 1HG PRO 31 1HG PRO 31 -18.310 -10.752 -10.029 256 2HG PRO 31 2HG PRO 31 -19.980 -10.221 -9.728 257 1HD PRO 31 1HD PRO 31 -17.952 -8.613 -9.168 258 2HD PRO 31 2HD PRO 31 -19.302 -8.742 -8.020 259 H ALA 32 H ALA 32 -16.158 -11.287 -8.850 260 HA ALA 32 HA ALA 32 -15.110 -13.899 -8.307 261 1HB ALA 32 1HB ALA 32 -14.896 -12.896 -10.530 262 2HB ALA 32 2HB ALA 32 -13.310 -13.266 -9.851 263 3HB ALA 32 3HB ALA 32 -13.899 -11.603 -9.860 264 H LEU 33 H LEU 33 -13.480 -10.719 -8.064 265 HA LEU 33 HA LEU 33 -12.845 -10.868 -5.345 266 1HB LEU 33 1HB LEU 33 -11.440 -12.803 -6.535 267 2HB LEU 33 2HB LEU 33 -10.355 -11.478 -6.891 268 HG LEU 33 HG LEU 33 -9.618 -12.655 -4.899 269 1HD1 LEU 33 1HD1 LEU 33 -10.756 -9.962 -4.156 270 2HD1 LEU 33 2HD1 LEU 33 -9.217 -10.247 -4.969 271 3HD1 LEU 33 3HD1 LEU 33 -9.459 -10.818 -3.319 272 1HD2 LEU 33 1HD2 LEU 33 -10.969 -12.738 -2.866 273 2HD2 LEU 33 2HD2 LEU 33 -11.763 -13.577 -4.198 274 3HD2 LEU 33 3HD2 LEU 33 -12.309 -11.970 -3.718 275 H TRP 34 H TRP 34 -10.804 -10.064 -8.170 276 HA TRP 34 HA TRP 34 -10.071 -7.528 -7.013 277 1HB TRP 34 1HB TRP 34 -9.394 -8.735 -9.713 278 2HB TRP 34 2HB TRP 34 -8.630 -7.314 -9.008 279 HD1 TRP 34 HD1 TRP 34 -9.213 -10.945 -7.701 280 HE1 TRP 34 HE1 TRP 34 -6.997 -11.782 -6.705 281 HE3 TRP 34 HE3 TRP 34 -6.323 -6.837 -8.594 282 HZ2 TRP 34 HZ2 TRP 34 -4.373 -10.831 -6.348 283 HZ3 TRP 34 HZ3 TRP 34 -3.970 -6.880 -7.901 284 HH2 TRP 34 HH2 TRP 34 -3.012 -8.838 -6.800 285 H GLY 35 H GLY 35 -10.569 -5.459 -7.806 286 1HA GLY 35 1HA GLY 35 -11.916 -4.890 -10.188 287 2HA GLY 35 2HA GLY 35 -13.139 -5.133 -8.951 288 H GLY 36 H GLY 36 -12.240 -3.937 -6.751 289 1HA GLY 36 1HA GLY 36 -11.475 -1.203 -7.479 290 2HA GLY 36 2HA GLY 36 -13.087 -1.436 -6.811 291 H LYS 37 H LYS 37 -13.192 -2.529 -4.668 292 HA LYS 37 HA LYS 37 -10.740 -2.196 -3.094 293 1HB LYS 37 1HB LYS 37 -12.113 -1.286 -1.203 294 2HB LYS 37 2HB LYS 37 -11.975 -0.218 -2.587 295 1HG LYS 37 1HG LYS 37 -14.198 -0.024 -1.900 296 2HG LYS 37 2HG LYS 37 -14.262 -1.090 -3.301 297 1HD LYS 37 1HD LYS 37 -14.567 -3.015 -1.919 298 2HD LYS 37 2HD LYS 37 -14.195 -2.102 -0.456 299 1HE LYS 37 1HE LYS 37 -16.594 -2.485 -0.643 300 2HE LYS 37 2HE LYS 37 -16.229 -0.767 -0.777 301 1HZ LYS 37 1HZ LYS 37 -16.921 -2.625 -2.984 302 2HZ LYS 37 2HZ LYS 37 -16.372 -1.048 -3.228 303 3HZ LYS 37 3HZ LYS 37 -17.829 -1.317 -2.420 304 H VAL 38 H VAL 38 -10.948 -3.246 -0.921 305 HA VAL 38 HA VAL 38 -12.719 -5.551 -0.830 306 HB VAL 38 HB VAL 38 -10.728 -6.337 -2.091 307 1HG1 VAL 38 1HG1 VAL 38 -8.548 -6.524 -0.976 308 2HG1 VAL 38 2HG1 VAL 38 -9.182 -5.624 0.404 309 3HG1 VAL 38 3HG1 VAL 38 -9.043 -4.842 -1.171 310 1HG2 VAL 38 1HG2 VAL 38 -11.956 -7.915 -0.701 311 2HG2 VAL 38 2HG2 VAL 38 -10.945 -7.502 0.686 312 3HG2 VAL 38 3HG2 VAL 38 -10.235 -8.303 -0.717 313 H THR 39 H THR 39 -12.783 -6.505 1.303 314 HA THR 39 HA THR 39 -11.477 -4.927 3.417 315 HB THR 39 HB THR 39 -14.373 -5.791 3.591 316 HG1 THR 39 HG1 THR 39 -13.196 -3.505 2.497 317 1HG2 THR 39 1HG2 THR 39 -14.443 -4.232 5.482 318 2HG2 THR 39 2HG2 THR 39 -12.735 -3.862 5.248 319 3HG2 THR 39 3HG2 THR 39 -13.227 -5.483 5.743 320 H LEU 40 H LEU 40 -10.682 -6.094 5.052 321 HA LEU 40 HA LEU 40 -10.809 -8.993 4.860 322 1HB LEU 40 1HB LEU 40 -9.194 -7.160 6.649 323 2HB LEU 40 2HB LEU 40 -9.090 -8.908 6.683 324 HG LEU 40 HG LEU 40 -7.223 -8.171 5.440 325 1HD1 LEU 40 1HD1 LEU 40 -7.595 -9.101 3.214 326 2HD1 LEU 40 2HD1 LEU 40 -9.338 -9.028 3.468 327 3HD1 LEU 40 3HD1 LEU 40 -8.344 -10.093 4.464 328 1HD2 LEU 40 1HD2 LEU 40 -9.090 -6.458 3.796 329 2HD2 LEU 40 2HD2 LEU 40 -7.356 -6.652 3.527 330 3HD2 LEU 40 3HD2 LEU 40 -7.939 -5.885 5.004 331 H ALA 41 H ALA 41 -10.930 -10.223 6.993 332 HA ALA 41 HA ALA 41 -13.437 -9.718 8.230 333 1HB ALA 41 1HB ALA 41 -12.470 -11.980 7.938 334 2HB ALA 41 2HB ALA 41 -12.954 -11.656 9.603 335 3HB ALA 41 3HB ALA 41 -11.251 -11.591 9.152 336 H ASN 42 H ASN 42 -10.367 -8.456 8.785 337 HA ASN 42 HA ASN 42 -10.649 -7.859 11.588 338 1HB ASN 42 1HB ASN 42 -8.419 -8.137 10.735 339 2HB ASN 42 2HB ASN 42 -8.694 -6.959 9.458 340 1HD2 ASN 42 1HD2 ASN 42 -8.116 -7.415 12.866 341 2HD2 ASN 42 2HD2 ASN 42 -7.653 -5.782 13.203 342 H GLY 43 H GLY 43 -11.719 -6.473 8.644 343 1HA GLY 43 1HA GLY 43 -13.274 -4.672 8.543 344 2HA GLY 43 2HA GLY 43 -12.616 -4.047 10.050 345 H TRP 44 H TRP 44 -9.931 -4.826 8.582 346 HA TRP 44 HA TRP 44 -9.193 -2.231 7.775 347 1HB TRP 44 1HB TRP 44 -7.629 -4.038 8.560 348 2HB TRP 44 2HB TRP 44 -7.867 -4.856 7.022 349 HD1 TRP 44 HD1 TRP 44 -6.670 -3.786 4.864 350 HE1 TRP 44 HE1 TRP 44 -4.719 -2.121 4.640 351 HE3 TRP 44 HE3 TRP 44 -6.595 -1.967 9.644 352 HZ2 TRP 44 HZ2 TRP 44 -3.329 -0.284 6.275 353 HZ3 TRP 44 HZ3 TRP 44 -4.928 -0.258 10.233 354 HH2 TRP 44 HH2 TRP 44 -3.326 0.566 8.581 355 H GLN 45 H GLN 45 -9.268 -1.233 5.820 356 HA GLN 45 HA GLN 45 -10.534 -2.708 3.605 357 1HB GLN 45 1HB GLN 45 -10.468 0.275 4.134 358 2HB GLN 45 2HB GLN 45 -11.277 -0.510 2.782 359 1HG GLN 45 1HG GLN 45 -12.743 -1.689 4.383 360 2HG GLN 45 2HG GLN 45 -11.968 -0.808 5.701 361 1HE2 GLN 45 1HE2 GLN 45 -12.349 1.416 5.913 362 2HE2 GLN 45 2HE2 GLN 45 -13.680 2.191 5.127 363 H LEU 46 H LEU 46 -9.606 -2.748 1.623 364 HA LEU 46 HA LEU 46 -7.118 -1.262 1.165 365 1HB LEU 46 1HB LEU 46 -6.630 -3.550 2.107 366 2HB LEU 46 2HB LEU 46 -7.422 -4.247 0.712 367 HG LEU 46 HG LEU 46 -4.881 -4.220 0.700 368 1HD1 LEU 46 1HD1 LEU 46 -6.200 -4.618 -1.324 369 2HD1 LEU 46 2HD1 LEU 46 -4.712 -3.739 -1.668 370 3HD1 LEU 46 3HD1 LEU 46 -6.252 -2.881 -1.630 371 1HD2 LEU 46 1HD2 LEU 46 -3.780 -2.152 0.015 372 2HD2 LEU 46 2HD2 LEU 46 -4.560 -1.969 1.587 373 3HD2 LEU 46 3HD2 LEU 46 -5.311 -1.283 0.144 374 H GLU 47 H GLU 47 -6.992 -0.492 -0.885 375 HA GLU 47 HA GLU 47 -9.255 -0.918 -2.643 376 1HB GLU 47 1HB GLU 47 -8.182 1.345 -2.165 377 2HB GLU 47 2HB GLU 47 -6.828 0.818 -3.154 378 1HG GLU 47 1HG GLU 47 -8.377 0.525 -5.059 379 2HG GLU 47 2HG GLU 47 -9.688 1.139 -4.049 380 H LEU 48 H LEU 48 -9.254 -2.513 -4.065 381 HA LEU 48 HA LEU 48 -6.698 -3.733 -4.854 382 1HB LEU 48 1HB LEU 48 -8.449 -5.047 -3.549 383 2HB LEU 48 2HB LEU 48 -9.453 -4.961 -4.979 384 HG LEU 48 HG LEU 48 -7.823 -6.233 -6.261 385 1HD1 LEU 48 1HD1 LEU 48 -5.840 -7.193 -5.188 386 2HD1 LEU 48 2HD1 LEU 48 -6.194 -6.283 -3.719 387 3HD1 LEU 48 3HD1 LEU 48 -5.782 -5.431 -5.209 388 1HD2 LEU 48 1HD2 LEU 48 -8.017 -8.375 -5.109 389 2HD2 LEU 48 2HD2 LEU 48 -9.523 -7.462 -5.003 390 3HD2 LEU 48 3HD2 LEU 48 -8.441 -7.545 -3.610 391 HA PRO 49 HA PRO 49 -7.838 -2.046 -8.877 392 1HB PRO 49 1HB PRO 49 -5.293 -3.077 -9.867 393 2HB PRO 49 2HB PRO 49 -5.785 -1.401 -9.623 394 1HG PRO 49 1HG PRO 49 -3.882 -2.614 -8.105 395 2HG PRO 49 2HG PRO 49 -4.927 -1.320 -7.489 396 1HD PRO 49 1HD PRO 49 -5.182 -4.294 -7.130 397 2HD PRO 49 2HD PRO 49 -5.371 -3.000 -5.928 398 H ALA 50 H ALA 50 -8.389 -2.908 -10.941 399 HA ALA 50 HA ALA 50 -9.017 -5.726 -10.910 400 1HB ALA 50 1HB ALA 50 -9.462 -3.651 -13.067 401 2HB ALA 50 2HB ALA 50 -10.625 -4.130 -11.830 402 3HB ALA 50 3HB ALA 50 -10.118 -5.288 -13.060 403 H MET 51 H MET 51 -6.740 -6.363 -10.748 404 HA MET 51 HA MET 51 -5.127 -6.042 -13.165 405 1HB MET 51 1HB MET 51 -4.502 -7.376 -10.516 406 2HB MET 51 2HB MET 51 -3.369 -7.231 -11.852 407 1HG MET 51 1HG MET 51 -4.605 -4.934 -10.339 408 2HG MET 51 2HG MET 51 -2.969 -5.556 -10.119 409 1HE MET 51 1HE MET 51 -2.218 -2.147 -11.837 410 2HE MET 51 2HE MET 51 -1.853 -3.217 -10.483 411 3HE MET 51 3HE MET 51 -3.451 -2.488 -10.624 412 H ALA 52 H ALA 52 -6.281 -8.713 -11.113 413 HA ALA 52 HA ALA 52 -7.036 -10.297 -13.374 414 1HB ALA 52 1HB ALA 52 -5.497 -12.166 -12.977 415 2HB ALA 52 2HB ALA 52 -4.664 -11.224 -11.739 416 3HB ALA 52 3HB ALA 52 -4.619 -10.702 -13.422 417 H ALA 53 H ALA 53 -9.021 -10.451 -12.380 418 HA ALA 53 HA ALA 53 -9.372 -11.243 -9.664 419 1HB ALA 53 1HB ALA 53 -11.063 -9.939 -10.875 420 2HB ALA 53 2HB ALA 53 -11.741 -11.436 -10.233 421 3HB ALA 53 3HB ALA 53 -11.349 -11.309 -11.949 422 H ASP 54 H ASP 54 -9.104 -12.902 -12.702 423 HA ASP 54 HA ASP 54 -10.272 -15.364 -12.004 424 1HB ASP 54 1HB ASP 54 -8.145 -14.773 -14.078 425 2HB ASP 54 2HB ASP 54 -9.103 -16.249 -13.995 426 H THR 55 H THR 55 -6.871 -14.340 -12.060 427 HA THR 55 HA THR 55 -5.407 -16.505 -11.980 428 HB THR 55 HB THR 55 -4.391 -14.332 -11.667 429 HG1 THR 55 HG1 THR 55 -3.198 -15.272 -9.480 430 1HG2 THR 55 1HG2 THR 55 -4.302 -13.226 -9.489 431 2HG2 THR 55 2HG2 THR 55 -5.329 -14.479 -8.794 432 3HG2 THR 55 3HG2 THR 55 -5.973 -13.397 -10.028 433 HA PRO 56 HA PRO 56 -6.809 -18.965 -8.481 434 1HB PRO 56 1HB PRO 56 -5.751 -21.287 -9.250 435 2HB PRO 56 2HB PRO 56 -7.088 -20.571 -10.159 436 1HG PRO 56 1HG PRO 56 -4.152 -20.542 -10.775 437 2HG PRO 56 2HG PRO 56 -5.520 -20.831 -11.868 438 1HD PRO 56 1HD PRO 56 -4.222 -18.401 -11.587 439 2HD PRO 56 2HD PRO 56 -5.882 -18.590 -12.187 440 H LEU 57 H LEU 57 -3.945 -17.564 -8.926 441 HA LEU 57 HA LEU 57 -2.724 -18.890 -6.608 442 1HB LEU 57 1HB LEU 57 -0.481 -18.508 -7.674 443 2HB LEU 57 2HB LEU 57 -1.476 -19.727 -8.443 444 HG LEU 57 HG LEU 57 -2.138 -17.824 -10.096 445 1HD1 LEU 57 1HD1 LEU 57 0.430 -16.693 -8.985 446 2HD1 LEU 57 2HD1 LEU 57 -1.169 -15.954 -8.893 447 3HD1 LEU 57 3HD1 LEU 57 -0.378 -16.151 -10.456 448 1HD2 LEU 57 1HD2 LEU 57 -0.223 -18.353 -11.522 449 2HD2 LEU 57 2HD2 LEU 57 -0.845 -19.793 -10.717 450 3HD2 LEU 57 3HD2 LEU 57 0.632 -19.027 -10.133 451 HA PRO 58 HA PRO 58 -2.384 -14.858 -4.862 452 1HB PRO 58 1HB PRO 58 -0.050 -15.052 -3.447 453 2HB PRO 58 2HB PRO 58 -1.559 -15.820 -2.942 454 1HG PRO 58 1HG PRO 58 0.776 -17.015 -4.394 455 2HG PRO 58 2HG PRO 58 -0.157 -17.679 -3.039 456 1HD PRO 58 1HD PRO 58 -0.583 -18.472 -5.580 457 2HD PRO 58 2HD PRO 58 -1.910 -18.342 -4.407 458 H ILE 59 H ILE 59 -1.429 -12.858 -5.136 459 HA ILE 59 HA ILE 59 1.100 -12.593 -6.531 460 HB ILE 59 HB ILE 59 -0.351 -12.826 -8.441 461 1HG1 ILE 59 1HG1 ILE 59 0.321 -9.905 -7.959 462 2HG1 ILE 59 2HG1 ILE 59 1.383 -11.117 -8.666 463 1HG2 ILE 59 1HG2 ILE 59 -2.077 -10.666 -7.231 464 2HG2 ILE 59 2HG2 ILE 59 -2.483 -12.378 -7.355 465 3HG2 ILE 59 3HG2 ILE 59 -2.309 -11.406 -8.816 466 1HD1 ILE 59 1HD1 ILE 59 -1.167 -10.065 -9.871 467 2HD1 ILE 59 2HD1 ILE 59 -0.133 -11.305 -10.582 468 3HD1 ILE 59 3HD1 ILE 59 0.476 -9.664 -10.368 469 H THR 60 H THR 60 2.021 -10.550 -6.285 470 HA THR 60 HA THR 60 0.764 -8.865 -4.234 471 HB THR 60 HB THR 60 3.651 -8.836 -5.163 472 HG1 THR 60 HG1 THR 60 3.786 -9.993 -2.963 473 1HG2 THR 60 1HG2 THR 60 4.069 -7.735 -3.013 474 2HG2 THR 60 2HG2 THR 60 2.351 -7.811 -2.627 475 3HG2 THR 60 3HG2 THR 60 2.910 -6.811 -3.967 476 H VAL 61 H VAL 61 0.075 -6.844 -4.727 477 HA VAL 61 HA VAL 61 0.940 -5.608 -7.263 478 HB VAL 61 HB VAL 61 -1.368 -4.824 -7.673 479 1HG1 VAL 61 1HG1 VAL 61 -0.576 -6.825 -8.817 480 2HG1 VAL 61 2HG1 VAL 61 -2.302 -6.934 -8.467 481 3HG1 VAL 61 3HG1 VAL 61 -1.144 -7.828 -7.480 482 1HG2 VAL 61 1HG2 VAL 61 -2.207 -4.896 -5.379 483 2HG2 VAL 61 2HG2 VAL 61 -2.117 -6.657 -5.386 484 3HG2 VAL 61 3HG2 VAL 61 -3.251 -5.828 -6.453 485 H GLU 62 H GLU 62 0.126 -3.283 -7.371 486 HA GLU 62 HA GLU 62 0.756 -1.840 -4.960 487 1HB GLU 62 1HB GLU 62 0.280 0.161 -6.345 488 2HB GLU 62 2HB GLU 62 1.418 -0.933 -7.124 489 1HG GLU 62 1HG GLU 62 -0.390 -1.813 -8.525 490 2HG GLU 62 2HG GLU 62 -1.524 -0.710 -7.749 491 H ALA 63 H ALA 63 -0.796 -0.150 -4.098 492 HA ALA 63 HA ALA 63 -3.605 -0.558 -4.469 493 1HB ALA 63 1HB ALA 63 -4.080 -1.572 -2.282 494 2HB ALA 63 2HB ALA 63 -2.345 -1.731 -1.988 495 3HB ALA 63 3HB ALA 63 -3.105 -2.632 -3.301 496 H ARG 64 H ARG 64 -4.915 0.719 -3.090 497 HA ARG 64 HA ARG 64 -3.526 2.836 -1.567 498 1HB ARG 64 1HB ARG 64 -4.703 3.934 -3.295 499 2HB ARG 64 2HB ARG 64 -6.063 2.827 -3.202 500 1HG ARG 64 1HG ARG 64 -6.749 4.960 -2.361 501 2HG ARG 64 2HG ARG 64 -6.678 3.826 -1.014 502 1HD ARG 64 1HD ARG 64 -4.361 4.748 -0.538 503 2HD ARG 64 2HD ARG 64 -4.730 6.022 -1.703 504 HE ARG 64 HE ARG 64 -6.588 5.604 0.521 505 1HH1 ARG 64 1HH1 ARG 64 -4.063 7.559 -0.927 506 2HH1 ARG 64 2HH1 ARG 64 -4.377 8.929 0.090 507 1HH2 ARG 64 1HH2 ARG 64 -7.004 7.413 1.834 508 2HH2 ARG 64 2HH2 ARG 64 -6.059 8.857 1.634 509 H LYS 65 H LYS 65 -4.201 3.199 0.566 510 HA LYS 65 HA LYS 65 -5.905 1.094 1.702 511 1HB LYS 65 1HB LYS 65 -3.525 1.863 2.573 512 2HB LYS 65 2HB LYS 65 -4.446 3.127 3.372 513 1HG LYS 65 1HG LYS 65 -4.986 0.178 3.710 514 2HG LYS 65 2HG LYS 65 -3.949 1.120 4.778 515 1HD LYS 65 1HD LYS 65 -6.872 1.711 4.271 516 2HD LYS 65 2HD LYS 65 -6.266 0.787 5.644 517 1HE LYS 65 1HE LYS 65 -4.948 2.749 6.353 518 2HE LYS 65 2HE LYS 65 -5.610 3.667 5.001 519 1HZ LYS 65 1HZ LYS 65 -7.193 2.488 7.217 520 2HZ LYS 65 2HZ LYS 65 -7.817 3.395 5.937 521 3HZ LYS 65 3HZ LYS 65 -6.785 4.122 7.065 522 H LEU 66 H LEU 66 -7.955 1.512 2.280 523 HA LEU 66 HA LEU 66 -8.975 4.226 2.135 524 1HB LEU 66 1HB LEU 66 -10.386 1.608 2.720 525 2HB LEU 66 2HB LEU 66 -11.190 3.159 2.595 526 HG LEU 66 HG LEU 66 -11.564 2.026 0.544 527 1HD1 LEU 66 1HD1 LEU 66 -11.060 4.394 0.303 528 2HD1 LEU 66 2HD1 LEU 66 -10.523 3.479 -1.105 529 3HD1 LEU 66 3HD1 LEU 66 -9.348 4.020 0.094 530 1HD2 LEU 66 1HD2 LEU 66 -9.786 1.122 -0.860 531 2HD2 LEU 66 2HD2 LEU 66 -9.821 0.339 0.719 532 3HD2 LEU 66 3HD2 LEU 66 -8.591 1.553 0.363 Start of MODEL 5 1 H MET 1 H MET 1 1.291 1.895 -2.950 2 HA MET 1 HA MET 1 3.125 0.782 -0.909 3 1HB MET 1 1HB MET 1 0.110 1.116 -0.844 4 2HB MET 1 2HB MET 1 1.129 0.527 0.463 5 1HG MET 1 1HG MET 1 0.444 2.801 0.895 6 2HG MET 1 2HG MET 1 2.186 2.739 0.621 7 1HE MET 1 1HE MET 1 2.131 5.421 0.304 8 2HE MET 1 2HE MET 1 0.382 5.433 0.523 9 3HE MET 1 3HE MET 1 1.102 6.235 -0.873 10 H LYS 2 H LYS 2 3.088 -1.462 -0.701 11 HA LYS 2 HA LYS 2 1.878 -2.874 -2.973 12 1HB LYS 2 1HB LYS 2 4.356 -3.499 -1.346 13 2HB LYS 2 2HB LYS 2 3.710 -4.521 -2.614 14 1HG LYS 2 1HG LYS 2 4.124 -2.796 -4.271 15 2HG LYS 2 2HG LYS 2 4.680 -1.694 -3.012 16 1HD LYS 2 1HD LYS 2 6.596 -2.641 -4.136 17 2HD LYS 2 2HD LYS 2 6.521 -3.280 -2.493 18 1HE LYS 2 1HE LYS 2 7.075 -5.078 -3.992 19 2HE LYS 2 2HE LYS 2 5.433 -5.330 -3.403 20 1HZ LYS 2 1HZ LYS 2 5.614 -5.745 -5.781 21 2HZ LYS 2 2HZ LYS 2 6.158 -4.168 -6.039 22 3HZ LYS 2 3HZ LYS 2 4.588 -4.438 -5.480 23 H VAL 3 H VAL 3 0.789 -4.781 -2.628 24 HA VAL 3 HA VAL 3 0.621 -5.902 0.057 25 HB VAL 3 HB VAL 3 -1.213 -4.213 -0.079 26 1HG1 VAL 3 1HG1 VAL 3 -1.660 -4.323 -2.475 27 2HG1 VAL 3 2HG1 VAL 3 -3.131 -4.611 -1.546 28 3HG1 VAL 3 3HG1 VAL 3 -2.284 -5.965 -2.297 29 1HG2 VAL 3 1HG2 VAL 3 -1.452 -6.146 1.376 30 2HG2 VAL 3 2HG2 VAL 3 -2.127 -7.091 0.047 31 3HG2 VAL 3 3HG2 VAL 3 -3.014 -5.704 0.681 32 H MET 4 H MET 4 0.182 -8.101 0.040 33 HA MET 4 HA MET 4 0.152 -9.336 -2.630 34 1HB MET 4 1HB MET 4 2.026 -9.960 -1.140 35 2HB MET 4 2HB MET 4 0.876 -10.566 0.046 36 1HG MET 4 1HG MET 4 0.113 -12.253 -1.552 37 2HG MET 4 2HG MET 4 1.255 -11.642 -2.747 38 1HE MET 4 1HE MET 4 3.779 -10.981 -0.869 39 2HE MET 4 2HE MET 4 3.913 -11.768 -2.442 40 3HE MET 4 3HE MET 4 4.697 -12.479 -1.032 41 H ILE 5 H ILE 5 -1.790 -9.889 -3.316 42 HA ILE 5 HA ILE 5 -3.873 -10.690 -1.413 43 HB ILE 5 HB ILE 5 -4.093 -10.250 -4.405 44 1HG1 ILE 5 1HG1 ILE 5 -3.438 -8.174 -3.254 45 2HG1 ILE 5 2HG1 ILE 5 -5.088 -8.068 -3.852 46 1HG2 ILE 5 1HG2 ILE 5 -5.845 -11.694 -3.533 47 2HG2 ILE 5 2HG2 ILE 5 -6.517 -10.120 -3.961 48 3HG2 ILE 5 3HG2 ILE 5 -6.216 -10.520 -2.269 49 1HD1 ILE 5 1HD1 ILE 5 -4.270 -8.608 -1.004 50 2HD1 ILE 5 2HD1 ILE 5 -5.929 -8.507 -1.598 51 3HD1 ILE 5 3HD1 ILE 5 -4.884 -7.087 -1.648 52 H ARG 6 H ARG 6 -4.363 -12.778 -1.112 53 HA ARG 6 HA ARG 6 -2.959 -14.763 -2.745 54 1HB ARG 6 1HB ARG 6 -4.350 -15.077 -0.076 55 2HB ARG 6 2HB ARG 6 -3.393 -16.308 -0.891 56 1HG ARG 6 1HG ARG 6 -1.394 -14.939 -0.666 57 2HG ARG 6 2HG ARG 6 -2.340 -13.655 0.092 58 1HD ARG 6 1HD ARG 6 -2.915 -15.203 1.930 59 2HD ARG 6 2HD ARG 6 -1.900 -16.439 1.182 60 HE ARG 6 HE ARG 6 -0.232 -14.309 1.461 61 1HH1 ARG 6 1HH1 ARG 6 -2.226 -16.157 3.675 62 2HH1 ARG 6 2HH1 ARG 6 -1.218 -15.819 5.049 63 1HH2 ARG 6 1HH2 ARG 6 1.080 -13.868 3.252 64 2HH2 ARG 6 2HH2 ARG 6 0.653 -14.504 4.813 65 H LYS 7 H LYS 7 -4.022 -15.719 -4.294 66 HA LYS 7 HA LYS 7 -6.938 -15.978 -4.194 67 1HB LYS 7 1HB LYS 7 -4.928 -16.348 -6.432 68 2HB LYS 7 2HB LYS 7 -6.646 -16.679 -6.604 69 1HG LYS 7 1HG LYS 7 -5.617 -13.982 -5.758 70 2HG LYS 7 2HG LYS 7 -5.789 -14.435 -7.453 71 1HD LYS 7 1HD LYS 7 -8.099 -14.723 -5.547 72 2HD LYS 7 2HD LYS 7 -7.728 -13.164 -6.279 73 1HE LYS 7 1HE LYS 7 -9.429 -14.316 -7.578 74 2HE LYS 7 2HE LYS 7 -7.948 -14.166 -8.516 75 1HZ LYS 7 1HZ LYS 7 -8.934 -16.349 -8.759 76 2HZ LYS 7 2HZ LYS 7 -8.842 -16.610 -7.088 77 3HZ LYS 7 3HZ LYS 7 -7.431 -16.463 -7.999 78 H THR 8 H THR 8 -7.694 -17.816 -3.357 79 HA THR 8 HA THR 8 -6.394 -20.344 -4.120 80 HB THR 8 HB THR 8 -7.069 -21.209 -1.782 81 HG1 THR 8 HG1 THR 8 -7.680 -18.547 -1.563 82 1HG2 THR 8 1HG2 THR 8 -4.811 -19.206 -2.008 83 2HG2 THR 8 2HG2 THR 8 -4.732 -20.912 -2.449 84 3HG2 THR 8 3HG2 THR 8 -4.965 -20.447 -0.764 85 H ALA 9 H ALA 9 -7.882 -22.223 -3.884 86 HA ALA 9 HA ALA 9 -10.270 -21.775 -5.262 87 1HB ALA 9 1HB ALA 9 -9.537 -24.178 -3.587 88 2HB ALA 9 2HB ALA 9 -9.068 -23.916 -5.266 89 3HB ALA 9 3HB ALA 9 -10.769 -24.120 -4.847 90 H THR 10 H THR 10 -12.012 -20.772 -4.559 91 HA THR 10 HA THR 10 -13.608 -19.853 -3.249 92 HB THR 10 HB THR 10 -14.736 -21.390 -1.607 93 HG1 THR 10 HG1 THR 10 -12.754 -22.623 -1.142 94 1HG2 THR 10 1HG2 THR 10 -15.562 -22.950 -3.308 95 2HG2 THR 10 2HG2 THR 10 -14.206 -22.536 -4.354 96 3HG2 THR 10 3HG2 THR 10 -15.418 -21.317 -3.956 97 H GLY 11 H GLY 11 -10.761 -19.608 -2.394 98 1HA GLY 11 1HA GLY 11 -11.308 -18.690 0.359 99 2HA GLY 11 2HA GLY 11 -9.819 -19.542 -0.037 100 H HIS 12 H HIS 12 -10.624 -16.670 0.808 101 HA HIS 12 HA HIS 12 -8.860 -15.329 -1.133 102 1HB HIS 12 1HB HIS 12 -11.435 -14.148 -0.035 103 2HB HIS 12 2HB HIS 12 -10.283 -13.321 -1.079 104 HD1 HIS 12 HD1 HIS 12 -13.438 -14.769 -1.310 105 HD2 HIS 12 HD2 HIS 12 -10.001 -15.090 -3.623 106 HE1 HIS 12 HE1 HIS 12 -14.214 -15.572 -3.562 107 HE2 HIS 12 HE2 HIS 12 -12.150 -15.519 -4.999 108 H SER 13 H SER 13 -7.161 -14.582 -0.046 109 HA SER 13 HA SER 13 -7.574 -13.336 2.583 110 1HB SER 13 1HB SER 13 -5.371 -14.410 3.304 111 2HB SER 13 2HB SER 13 -6.751 -15.500 3.182 112 HG SER 13 HG SER 13 -5.834 -16.504 1.560 113 H ALA 14 H ALA 14 -5.727 -11.924 3.199 114 HA ALA 14 HA ALA 14 -4.071 -11.001 0.975 115 1HB ALA 14 1HB ALA 14 -5.951 -9.144 2.442 116 2HB ALA 14 2HB ALA 14 -6.171 -9.718 0.790 117 3HB ALA 14 3HB ALA 14 -4.795 -8.689 1.189 118 H TYR 15 H TYR 15 -2.224 -9.895 1.625 119 HA TYR 15 HA TYR 15 -1.781 -9.688 4.528 120 1HB TYR 15 1HB TYR 15 -0.705 -11.741 3.723 121 2HB TYR 15 2HB TYR 15 0.162 -10.822 2.495 122 HD1 TYR 15 HD1 TYR 15 2.424 -10.626 2.998 123 HD2 TYR 15 HD2 TYR 15 -0.401 -10.425 6.176 124 HE1 TYR 15 HE1 TYR 15 4.252 -10.245 4.600 125 HE2 TYR 15 HE2 TYR 15 1.417 -10.047 7.781 126 HH TYR 15 HH TYR 15 3.764 -10.376 8.010 127 H VAL 16 H VAL 16 -1.636 -7.578 4.876 128 HA VAL 16 HA VAL 16 -0.138 -5.817 3.104 129 HB VAL 16 HB VAL 16 -1.424 -5.203 5.784 130 1HG1 VAL 16 1HG1 VAL 16 -0.389 -3.354 3.627 131 2HG1 VAL 16 2HG1 VAL 16 0.327 -3.611 5.219 132 3HG1 VAL 16 3HG1 VAL 16 -1.257 -2.849 5.078 133 1HG2 VAL 16 1HG2 VAL 16 -2.495 -4.752 2.992 134 2HG2 VAL 16 2HG2 VAL 16 -3.249 -4.187 4.483 135 3HG2 VAL 16 3HG2 VAL 16 -3.107 -5.916 4.169 136 H ALA 17 H ALA 17 1.982 -6.305 3.217 137 HA ALA 17 HA ALA 17 3.256 -7.508 5.402 138 1HB ALA 17 1HB ALA 17 4.030 -7.733 3.094 139 2HB ALA 17 2HB ALA 17 5.323 -7.177 4.155 140 3HB ALA 17 3HB ALA 17 4.509 -6.036 3.085 141 H LYS 18 H LYS 18 3.031 -4.117 4.453 142 HA LYS 18 HA LYS 18 5.161 -3.164 6.023 143 1HB LYS 18 1HB LYS 18 4.389 -0.970 5.547 144 2HB LYS 18 2HB LYS 18 4.025 -1.938 4.131 145 1HG LYS 18 1HG LYS 18 2.041 -0.860 4.274 146 2HG LYS 18 2HG LYS 18 1.670 -2.158 5.409 147 1HD LYS 18 1HD LYS 18 2.311 -0.711 7.287 148 2HD LYS 18 2HD LYS 18 2.723 0.581 6.159 149 1HE LYS 18 1HE LYS 18 0.372 0.632 5.401 150 2HE LYS 18 2HE LYS 18 -0.021 -0.615 6.586 151 1HZ LYS 18 1HZ LYS 18 0.686 0.917 8.343 152 2HZ LYS 18 2HZ LYS 18 -0.581 1.563 7.428 153 3HZ LYS 18 3HZ LYS 18 0.999 2.112 7.188 154 H LYS 19 H LYS 19 1.978 -4.130 6.911 155 HA LYS 19 HA LYS 19 2.384 -2.995 9.610 156 1HB LYS 19 1HB LYS 19 0.483 -1.982 8.312 157 2HB LYS 19 2HB LYS 19 -0.286 -3.562 8.283 158 1HG LYS 19 1HG LYS 19 0.479 -2.481 10.945 159 2HG LYS 19 2HG LYS 19 -0.854 -1.688 10.108 160 1HD LYS 19 1HD LYS 19 -2.176 -3.622 10.124 161 2HD LYS 19 2HD LYS 19 -0.796 -4.680 10.422 162 1HE LYS 19 1HE LYS 19 -1.922 -2.683 12.390 163 2HE LYS 19 2HE LYS 19 -2.235 -4.419 12.411 164 1HZ LYS 19 1HZ LYS 19 -0.507 -3.907 13.963 165 2HZ LYS 19 2HZ LYS 19 0.392 -3.088 12.791 166 3HZ LYS 19 3HZ LYS 19 0.179 -4.760 12.673 167 H ASP 20 H ASP 20 2.489 -5.776 7.889 168 HA ASP 20 HA ASP 20 2.451 -7.993 8.364 169 1HB ASP 20 1HB ASP 20 2.478 -6.935 11.199 170 2HB ASP 20 2HB ASP 20 2.502 -8.656 10.838 171 H LEU 21 H LEU 21 -0.019 -6.468 7.958 172 HA LEU 21 HA LEU 21 -2.024 -7.791 9.581 173 1HB LEU 21 1HB LEU 21 -2.466 -5.512 8.916 174 2HB LEU 21 2HB LEU 21 -2.226 -5.909 7.226 175 HG LEU 21 HG LEU 21 -4.249 -7.389 7.348 176 1HD1 LEU 21 1HD1 LEU 21 -4.597 -6.114 10.058 177 2HD1 LEU 21 2HD1 LEU 21 -4.282 -7.819 9.732 178 3HD1 LEU 21 3HD1 LEU 21 -5.803 -7.089 9.218 179 1HD2 LEU 21 1HD2 LEU 21 -4.708 -4.479 8.037 180 2HD2 LEU 21 2HD2 LEU 21 -5.872 -5.558 7.269 181 3HD2 LEU 21 3HD2 LEU 21 -4.386 -5.123 6.425 182 H GLU 22 H GLU 22 -2.436 -9.859 9.173 183 HA GLU 22 HA GLU 22 -2.819 -10.685 6.366 184 1HB GLU 22 1HB GLU 22 -0.790 -11.722 7.456 185 2HB GLU 22 2HB GLU 22 -1.871 -12.487 8.614 186 1HG GLU 22 1HG GLU 22 -2.951 -13.734 6.851 187 2HG GLU 22 2HG GLU 22 -2.002 -12.890 5.628 188 H GLU 23 H GLU 23 -4.920 -11.013 6.014 189 HA GLU 23 HA GLU 23 -6.575 -12.261 8.062 190 1HB GLU 23 1HB GLU 23 -6.553 -9.761 8.493 191 2HB GLU 23 2HB GLU 23 -7.310 -9.555 6.923 192 1HG GLU 23 1HG GLU 23 -8.905 -9.463 8.795 193 2HG GLU 23 2HG GLU 23 -9.268 -10.731 7.627 194 H LEU 24 H LEU 24 -8.759 -12.741 7.262 195 HA LEU 24 HA LEU 24 -8.693 -13.577 4.487 196 1HB LEU 24 1HB LEU 24 -10.804 -13.945 6.625 197 2HB LEU 24 2HB LEU 24 -10.865 -14.654 5.022 198 HG LEU 24 HG LEU 24 -8.821 -15.272 7.166 199 1HD1 LEU 24 1HD1 LEU 24 -9.846 -17.492 7.174 200 2HD1 LEU 24 2HD1 LEU 24 -11.040 -16.951 5.994 201 3HD1 LEU 24 3HD1 LEU 24 -11.012 -16.242 7.610 202 1HD2 LEU 24 1HD2 LEU 24 -9.092 -16.396 4.373 203 2HD2 LEU 24 2HD2 LEU 24 -7.992 -16.990 5.617 204 3HD2 LEU 24 3HD2 LEU 24 -7.787 -15.365 4.964 205 H ILE 25 H ILE 25 -10.278 -13.033 2.960 206 HA ILE 25 HA ILE 25 -11.241 -10.291 3.196 207 HB ILE 25 HB ILE 25 -11.022 -12.175 0.844 208 1HG1 ILE 25 1HG1 ILE 25 -9.495 -9.651 1.561 209 2HG1 ILE 25 2HG1 ILE 25 -8.888 -11.293 1.733 210 1HG2 ILE 25 1HG2 ILE 25 -11.985 -9.315 0.894 211 2HG2 ILE 25 2HG2 ILE 25 -12.941 -10.743 0.495 212 3HG2 ILE 25 3HG2 ILE 25 -11.623 -10.241 -0.564 213 1HD1 ILE 25 1HD1 ILE 25 -9.549 -9.872 -0.833 214 2HD1 ILE 25 2HD1 ILE 25 -9.070 -11.566 -0.718 215 3HD1 ILE 25 3HD1 ILE 25 -7.949 -10.295 -0.226 216 H VAL 26 H VAL 26 -13.120 -10.256 4.307 217 HA VAL 26 HA VAL 26 -15.199 -12.222 3.843 218 HB VAL 26 HB VAL 26 -16.525 -10.852 5.479 219 1HG1 VAL 26 1HG1 VAL 26 -15.181 -11.494 7.437 220 2HG1 VAL 26 2HG1 VAL 26 -13.785 -11.751 6.390 221 3HG1 VAL 26 3HG1 VAL 26 -15.215 -12.770 6.221 222 1HG2 VAL 26 1HG2 VAL 26 -13.961 -9.258 5.703 223 2HG2 VAL 26 2HG2 VAL 26 -15.358 -9.114 6.771 224 3HG2 VAL 26 3HG2 VAL 26 -15.500 -8.670 5.070 225 H GLU 27 H GLU 27 -14.564 -8.848 3.069 226 HA GLU 27 HA GLU 27 -16.889 -8.897 1.259 227 1HB GLU 27 1HB GLU 27 -15.884 -6.571 2.914 228 2HB GLU 27 2HB GLU 27 -17.076 -6.424 1.630 229 1HG GLU 27 1HG GLU 27 -18.534 -7.998 2.894 230 2HG GLU 27 2HG GLU 27 -17.363 -7.951 4.212 231 H MET 28 H MET 28 -16.574 -8.099 -0.759 232 HA MET 28 HA MET 28 -14.085 -6.806 -1.496 233 1HB MET 28 1HB MET 28 -13.682 -8.567 -3.299 234 2HB MET 28 2HB MET 28 -13.305 -9.045 -1.650 235 1HG MET 28 1HG MET 28 -15.482 -10.192 -1.511 236 2HG MET 28 2HG MET 28 -15.781 -9.778 -3.202 237 1HE MET 28 1HE MET 28 -15.129 -13.590 -3.487 238 2HE MET 28 2HE MET 28 -16.206 -12.249 -3.880 239 3HE MET 28 3HE MET 28 -15.999 -12.752 -2.202 240 H GLU 29 H GLU 29 -14.133 -6.032 -3.715 241 HA GLU 29 HA GLU 29 -16.637 -4.863 -4.311 242 1HB GLU 29 1HB GLU 29 -14.311 -3.940 -4.799 243 2HB GLU 29 2HB GLU 29 -14.275 -5.019 -6.185 244 1HG GLU 29 1HG GLU 29 -14.936 -2.880 -6.965 245 2HG GLU 29 2HG GLU 29 -16.367 -3.912 -6.999 246 H ASN 30 H ASN 30 -14.913 -7.617 -5.603 247 HA ASN 30 HA ASN 30 -17.027 -8.024 -7.626 248 1HB ASN 30 1HB ASN 30 -14.794 -7.402 -8.531 249 2HB ASN 30 2HB ASN 30 -14.106 -8.811 -7.748 250 1HD2 ASN 30 1HD2 ASN 30 -14.193 -7.994 -10.553 251 2HD2 ASN 30 2HD2 ASN 30 -14.904 -9.325 -11.403 252 HA PRO 31 HA PRO 31 -18.105 -11.876 -5.596 253 1HB PRO 31 1HB PRO 31 -18.568 -13.237 -8.032 254 2HB PRO 31 2HB PRO 31 -19.767 -12.358 -7.078 255 1HG PRO 31 1HG PRO 31 -18.167 -11.427 -9.434 256 2HG PRO 31 2HG PRO 31 -19.868 -11.099 -9.031 257 1HD PRO 31 1HD PRO 31 -18.031 -9.238 -8.635 258 2HD PRO 31 2HD PRO 31 -19.272 -9.510 -7.393 259 H ALA 32 H ALA 32 -15.856 -11.744 -8.316 260 HA ALA 32 HA ALA 32 -14.503 -14.182 -7.620 261 1HB ALA 32 1HB ALA 32 -12.831 -13.464 -9.273 262 2HB ALA 32 2HB ALA 32 -13.630 -11.896 -9.399 263 3HB ALA 32 3HB ALA 32 -14.468 -13.357 -9.921 264 H LEU 33 H LEU 33 -13.460 -10.771 -7.598 265 HA LEU 33 HA LEU 33 -12.812 -10.505 -4.950 266 1HB LEU 33 1HB LEU 33 -10.953 -12.257 -6.132 267 2HB LEU 33 2HB LEU 33 -10.110 -10.726 -6.014 268 HG LEU 33 HG LEU 33 -11.320 -12.329 -3.759 269 1HD1 LEU 33 1HD1 LEU 33 -9.028 -12.366 -2.912 270 2HD1 LEU 33 2HD1 LEU 33 -8.485 -11.475 -4.334 271 3HD1 LEU 33 3HD1 LEU 33 -9.146 -13.101 -4.510 272 1HD2 LEU 33 1HD2 LEU 33 -11.776 -9.929 -3.429 273 2HD2 LEU 33 2HD2 LEU 33 -10.050 -9.598 -3.576 274 3HD2 LEU 33 3HD2 LEU 33 -10.651 -10.579 -2.241 275 H TRP 34 H TRP 34 -10.956 -9.874 -7.918 276 HA TRP 34 HA TRP 34 -10.229 -7.238 -7.080 277 1HB TRP 34 1HB TRP 34 -9.891 -8.548 -9.793 278 2HB TRP 34 2HB TRP 34 -9.015 -7.142 -9.194 279 HD1 TRP 34 HD1 TRP 34 -9.324 -10.944 -8.527 280 HE1 TRP 34 HE1 TRP 34 -7.120 -11.749 -7.471 281 HE3 TRP 34 HE3 TRP 34 -6.963 -6.440 -8.003 282 HZ2 TRP 34 HZ2 TRP 34 -4.712 -10.639 -6.553 283 HZ3 TRP 34 HZ3 TRP 34 -4.707 -6.401 -7.030 284 HH2 TRP 34 HH2 TRP 34 -3.603 -8.460 -6.318 285 H GLY 35 H GLY 35 -11.113 -5.290 -7.630 286 1HA GLY 35 1HA GLY 35 -12.720 -4.872 -9.936 287 2HA GLY 35 2HA GLY 35 -13.741 -5.092 -8.524 288 H GLY 36 H GLY 36 -12.557 -3.746 -6.537 289 1HA GLY 36 1HA GLY 36 -11.842 -1.075 -7.405 290 2HA GLY 36 2HA GLY 36 -13.470 -1.212 -6.758 291 H LYS 37 H LYS 37 -13.574 -2.349 -4.545 292 HA LYS 37 HA LYS 37 -11.124 -1.908 -2.992 293 1HB LYS 37 1HB LYS 37 -12.489 -0.983 -1.108 294 2HB LYS 37 2HB LYS 37 -12.379 0.055 -2.515 295 1HG LYS 37 1HG LYS 37 -14.593 0.246 -1.831 296 2HG LYS 37 2HG LYS 37 -14.661 -0.882 -3.181 297 1HD LYS 37 1HD LYS 37 -14.834 -2.760 -1.655 298 2HD LYS 37 2HD LYS 37 -14.623 -1.690 -0.267 299 1HE LYS 37 1HE LYS 37 -16.971 -2.254 -0.544 300 2HE LYS 37 2HE LYS 37 -16.718 -0.537 -0.854 301 1HZ LYS 37 1HZ LYS 37 -16.679 -1.090 -3.260 302 2HZ LYS 37 2HZ LYS 37 -18.163 -1.400 -2.515 303 3HZ LYS 37 3HZ LYS 37 -17.119 -2.678 -2.871 304 H VAL 38 H VAL 38 -11.346 -2.862 -0.755 305 HA VAL 38 HA VAL 38 -12.936 -5.299 -0.647 306 HB VAL 38 HB VAL 38 -10.866 -5.929 -1.870 307 1HG1 VAL 38 1HG1 VAL 38 -8.700 -5.932 -0.719 308 2HG1 VAL 38 2HG1 VAL 38 -9.424 -5.071 0.640 309 3HG1 VAL 38 3HG1 VAL 38 -9.325 -4.296 -0.942 310 1HG2 VAL 38 1HG2 VAL 38 -11.970 -7.603 -0.500 311 2HG2 VAL 38 2HG2 VAL 38 -11.042 -7.092 0.910 312 3HG2 VAL 38 3HG2 VAL 38 -10.223 -7.834 -0.465 313 H THR 39 H THR 39 -12.782 -6.312 1.523 314 HA THR 39 HA THR 39 -11.717 -4.562 3.623 315 HB THR 39 HB THR 39 -14.533 -5.690 3.677 316 HG1 THR 39 HG1 THR 39 -13.502 -3.339 2.691 317 1HG2 THR 39 1HG2 THR 39 -13.103 -3.811 5.575 318 2HG2 THR 39 2HG2 THR 39 -13.518 -5.495 5.906 319 3HG2 THR 39 3HG2 THR 39 -14.795 -4.298 5.688 320 H LEU 40 H LEU 40 -10.600 -5.693 5.064 321 HA LEU 40 HA LEU 40 -10.554 -8.574 4.966 322 1HB LEU 40 1HB LEU 40 -9.109 -6.606 6.758 323 2HB LEU 40 2HB LEU 40 -8.863 -8.340 6.804 324 HG LEU 40 HG LEU 40 -7.055 -7.476 5.571 325 1HD1 LEU 40 1HD1 LEU 40 -7.992 -9.466 4.573 326 2HD1 LEU 40 2HD1 LEU 40 -7.362 -8.399 3.320 327 3HD1 LEU 40 3HD1 LEU 40 -9.099 -8.496 3.601 328 1HD2 LEU 40 1HD2 LEU 40 -7.280 -5.965 3.661 329 2HD2 LEU 40 2HD2 LEU 40 -7.915 -5.245 5.139 330 3HD2 LEU 40 3HD2 LEU 40 -9.022 -5.886 3.924 331 H ALA 41 H ALA 41 -10.828 -9.915 6.881 332 HA ALA 41 HA ALA 41 -13.300 -9.455 8.174 333 1HB ALA 41 1HB ALA 41 -12.435 -11.699 7.715 334 2HB ALA 41 2HB ALA 41 -12.801 -11.495 9.427 335 3HB ALA 41 3HB ALA 41 -11.129 -11.438 8.871 336 H ASN 42 H ASN 42 -10.220 -8.259 8.834 337 HA ASN 42 HA ASN 42 -10.559 -7.975 11.699 338 1HB ASN 42 1HB ASN 42 -8.317 -8.353 10.605 339 2HB ASN 42 2HB ASN 42 -8.437 -6.737 9.918 340 1HD2 ASN 42 1HD2 ASN 42 -6.609 -6.025 11.004 341 2HD2 ASN 42 2HD2 ASN 42 -6.592 -5.726 12.706 342 H GLY 43 H GLY 43 -11.958 -6.500 9.154 343 1HA GLY 43 1HA GLY 43 -13.481 -4.741 9.340 344 2HA GLY 43 2HA GLY 43 -12.671 -4.207 10.801 345 H TRP 44 H TRP 44 -10.164 -4.583 8.821 346 HA TRP 44 HA TRP 44 -10.117 -1.756 8.183 347 1HB TRP 44 1HB TRP 44 -8.029 -3.924 8.146 348 2HB TRP 44 2HB TRP 44 -7.731 -2.373 7.361 349 HD1 TRP 44 HD1 TRP 44 -9.313 -0.675 9.679 350 HE1 TRP 44 HE1 TRP 44 -8.076 -0.232 11.890 351 HE3 TRP 44 HE3 TRP 44 -5.823 -4.382 9.402 352 HZ2 TRP 44 HZ2 TRP 44 -5.903 -1.310 13.319 353 HZ3 TRP 44 HZ3 TRP 44 -4.194 -4.607 11.229 354 HH2 TRP 44 HH2 TRP 44 -4.235 -3.100 13.147 355 H GLN 45 H GLN 45 -9.902 -0.860 6.195 356 HA GLN 45 HA GLN 45 -10.947 -2.485 3.982 357 1HB GLN 45 1HB GLN 45 -10.914 0.518 4.398 358 2HB GLN 45 2HB GLN 45 -11.628 -0.307 3.017 359 1HG GLN 45 1HG GLN 45 -13.321 -1.286 4.353 360 2HG GLN 45 2HG GLN 45 -12.504 -0.827 5.847 361 1HE2 GLN 45 1HE2 GLN 45 -14.430 0.299 3.168 362 2HE2 GLN 45 2HE2 GLN 45 -14.873 1.818 3.870 363 H LEU 46 H LEU 46 -10.176 -1.959 1.802 364 HA LEU 46 HA LEU 46 -7.568 -0.775 1.470 365 1HB LEU 46 1HB LEU 46 -7.172 -3.054 2.513 366 2HB LEU 46 2HB LEU 46 -7.891 -3.770 1.089 367 HG LEU 46 HG LEU 46 -5.364 -3.797 1.222 368 1HD1 LEU 46 1HD1 LEU 46 -6.538 -2.450 -1.204 369 2HD1 LEU 46 2HD1 LEU 46 -6.578 -4.181 -0.872 370 3HD1 LEU 46 3HD1 LEU 46 -5.035 -3.370 -1.131 371 1HD2 LEU 46 1HD2 LEU 46 -5.058 -1.535 2.109 372 2HD2 LEU 46 2HD2 LEU 46 -5.659 -0.858 0.595 373 3HD2 LEU 46 3HD2 LEU 46 -4.155 -1.779 0.614 374 H GLU 47 H GLU 47 -7.331 -0.132 -0.674 375 HA GLU 47 HA GLU 47 -9.571 -0.628 -2.449 376 1HB GLU 47 1HB GLU 47 -8.557 1.629 -2.312 377 2HB GLU 47 2HB GLU 47 -7.051 0.978 -2.952 378 1HG GLU 47 1HG GLU 47 -8.273 0.311 -5.013 379 2HG GLU 47 2HG GLU 47 -9.709 1.105 -4.372 380 H LEU 48 H LEU 48 -9.648 -2.142 -3.968 381 HA LEU 48 HA LEU 48 -7.176 -3.625 -4.599 382 1HB LEU 48 1HB LEU 48 -8.943 -4.797 -3.197 383 2HB LEU 48 2HB LEU 48 -9.992 -4.720 -4.598 384 HG LEU 48 HG LEU 48 -8.356 -6.081 -5.874 385 1HD1 LEU 48 1HD1 LEU 48 -6.332 -5.452 -4.680 386 2HD1 LEU 48 2HD1 LEU 48 -6.539 -7.204 -4.677 387 3HD1 LEU 48 3HD1 LEU 48 -6.916 -6.271 -3.227 388 1HD2 LEU 48 1HD2 LEU 48 -10.237 -7.160 -4.750 389 2HD2 LEU 48 2HD2 LEU 48 -9.278 -7.321 -3.278 390 3HD2 LEU 48 3HD2 LEU 48 -8.812 -8.199 -4.735 391 HA PRO 49 HA PRO 49 -8.238 -1.909 -8.628 392 1HB PRO 49 1HB PRO 49 -6.070 -2.827 -9.983 393 2HB PRO 49 2HB PRO 49 -5.982 -1.457 -8.868 394 1HG PRO 49 1HG PRO 49 -5.269 -4.334 -8.385 395 2HG PRO 49 2HG PRO 49 -4.359 -2.872 -7.954 396 1HD PRO 49 1HD PRO 49 -5.878 -4.196 -6.156 397 2HD PRO 49 2HD PRO 49 -5.694 -2.431 -6.114 398 H ALA 50 H ALA 50 -8.897 -2.715 -10.697 399 HA ALA 50 HA ALA 50 -9.929 -5.398 -10.629 400 1HB ALA 50 1HB ALA 50 -11.212 -3.573 -11.646 401 2HB ALA 50 2HB ALA 50 -10.909 -4.869 -12.803 402 3HB ALA 50 3HB ALA 50 -9.965 -3.380 -12.880 403 H MET 51 H MET 51 -7.832 -6.451 -10.401 404 HA MET 51 HA MET 51 -6.147 -6.537 -12.791 405 1HB MET 51 1HB MET 51 -5.554 -6.669 -10.106 406 2HB MET 51 2HB MET 51 -5.529 -8.365 -10.547 407 1HG MET 51 1HG MET 51 -3.875 -6.183 -11.815 408 2HG MET 51 2HG MET 51 -3.310 -7.360 -10.637 409 1HE MET 51 1HE MET 51 -3.437 -6.465 -14.275 410 2HE MET 51 2HE MET 51 -5.070 -7.128 -14.209 411 3HE MET 51 3HE MET 51 -3.819 -7.954 -15.138 412 H ALA 52 H ALA 52 -5.293 -9.218 -12.636 413 HA ALA 52 HA ALA 52 -7.497 -10.494 -14.001 414 1HB ALA 52 1HB ALA 52 -5.863 -12.203 -14.603 415 2HB ALA 52 2HB ALA 52 -4.682 -11.480 -13.511 416 3HB ALA 52 3HB ALA 52 -5.227 -10.590 -14.933 417 H ALA 53 H ALA 53 -9.004 -11.449 -12.781 418 HA ALA 53 HA ALA 53 -8.461 -12.620 -10.216 419 1HB ALA 53 1HB ALA 53 -10.622 -11.579 -10.716 420 2HB ALA 53 2HB ALA 53 -10.821 -13.266 -10.242 421 3HB ALA 53 3HB ALA 53 -10.937 -12.806 -11.942 422 H ASP 54 H ASP 54 -7.967 -13.647 -13.341 423 HA ASP 54 HA ASP 54 -8.609 -16.374 -13.329 424 1HB ASP 54 1HB ASP 54 -6.244 -15.045 -14.690 425 2HB ASP 54 2HB ASP 54 -6.964 -16.590 -15.128 426 H THR 55 H THR 55 -6.104 -14.613 -11.763 427 HA THR 55 HA THR 55 -4.070 -16.489 -11.526 428 HB THR 55 HB THR 55 -3.487 -15.176 -9.405 429 HG1 THR 55 HG1 THR 55 -5.251 -13.173 -10.156 430 1HG2 THR 55 1HG2 THR 55 -2.837 -13.168 -10.667 431 2HG2 THR 55 2HG2 THR 55 -3.924 -13.636 -11.976 432 3HG2 THR 55 3HG2 THR 55 -2.521 -14.636 -11.595 433 HA PRO 56 HA PRO 56 -6.009 -19.205 -8.444 434 1HB PRO 56 1HB PRO 56 -4.685 -21.416 -9.050 435 2HB PRO 56 2HB PRO 56 -5.856 -20.760 -10.204 436 1HG PRO 56 1HG PRO 56 -2.863 -20.543 -10.213 437 2HG PRO 56 2HG PRO 56 -3.964 -20.859 -11.568 438 1HD PRO 56 1HD PRO 56 -2.893 -18.366 -10.898 439 2HD PRO 56 2HD PRO 56 -4.317 -18.629 -11.923 440 H LEU 57 H LEU 57 -3.294 -17.537 -8.415 441 HA LEU 57 HA LEU 57 -2.225 -18.751 -5.980 442 1HB LEU 57 1HB LEU 57 0.111 -18.276 -6.923 443 2HB LEU 57 2HB LEU 57 -0.740 -19.679 -7.535 444 HG LEU 57 HG LEU 57 -1.421 -18.232 -9.529 445 1HD1 LEU 57 1HD1 LEU 57 0.757 -16.451 -8.438 446 2HD1 LEU 57 2HD1 LEU 57 -0.949 -16.039 -8.613 447 3HD1 LEU 57 3HD1 LEU 57 0.038 -16.327 -10.045 448 1HD2 LEU 57 1HD2 LEU 57 1.500 -18.866 -9.114 449 2HD2 LEU 57 2HD2 LEU 57 0.718 -18.589 -10.671 450 3HD2 LEU 57 3HD2 LEU 57 0.258 -19.980 -9.690 451 HA PRO 58 HA PRO 58 -2.001 -14.631 -4.427 452 1HB PRO 58 1HB PRO 58 0.465 -14.531 -3.213 453 2HB PRO 58 2HB PRO 58 -0.946 -15.342 -2.523 454 1HG PRO 58 1HG PRO 58 1.342 -16.512 -4.070 455 2HG PRO 58 2HG PRO 58 0.564 -17.119 -2.595 456 1HD PRO 58 1HD PRO 58 -0.003 -18.158 -5.001 457 2HD PRO 58 2HD PRO 58 -1.263 -17.969 -3.762 458 H ILE 59 H ILE 59 -1.599 -12.690 -5.274 459 HA ILE 59 HA ILE 59 0.867 -12.255 -6.826 460 HB ILE 59 HB ILE 59 -0.834 -12.555 -8.487 461 1HG1 ILE 59 1HG1 ILE 59 -0.339 -9.594 -8.044 462 2HG1 ILE 59 2HG1 ILE 59 0.696 -10.704 -8.937 463 1HG2 ILE 59 1HG2 ILE 59 -2.521 -10.557 -6.979 464 2HG2 ILE 59 2HG2 ILE 59 -2.796 -12.296 -7.060 465 3HG2 ILE 59 3HG2 ILE 59 -2.939 -11.313 -8.518 466 1HD1 ILE 59 1HD1 ILE 59 -2.092 -9.865 -9.706 467 2HD1 ILE 59 2HD1 ILE 59 -1.079 -10.999 -10.600 468 3HD1 ILE 59 3HD1 ILE 59 -0.587 -9.313 -10.440 469 H THR 60 H THR 60 1.818 -10.269 -6.556 470 HA THR 60 HA THR 60 0.728 -8.621 -4.385 471 HB THR 60 HB THR 60 3.534 -8.644 -5.539 472 HG1 THR 60 HG1 THR 60 4.011 -10.104 -4.039 473 1HG2 THR 60 1HG2 THR 60 2.977 -6.510 -4.476 474 2HG2 THR 60 2HG2 THR 60 4.124 -7.409 -3.483 475 3HG2 THR 60 3HG2 THR 60 2.420 -7.357 -3.032 476 H VAL 61 H VAL 61 -0.265 -6.812 -4.911 477 HA VAL 61 HA VAL 61 0.570 -5.315 -7.324 478 HB VAL 61 HB VAL 61 -1.744 -4.500 -7.543 479 1HG1 VAL 61 1HG1 VAL 61 -2.803 -6.557 -8.345 480 2HG1 VAL 61 2HG1 VAL 61 -1.589 -7.515 -7.494 481 3HG1 VAL 61 3HG1 VAL 61 -1.107 -6.468 -8.829 482 1HG2 VAL 61 1HG2 VAL 61 -3.568 -5.508 -6.236 483 2HG2 VAL 61 2HG2 VAL 61 -2.431 -4.645 -5.203 484 3HG2 VAL 61 3HG2 VAL 61 -2.385 -6.407 -5.282 485 H GLU 62 H GLU 62 -0.062 -2.926 -7.122 486 HA GLU 62 HA GLU 62 0.581 -1.965 -4.462 487 1HB GLU 62 1HB GLU 62 0.094 -0.540 -7.079 488 2HB GLU 62 2HB GLU 62 0.227 0.333 -5.558 489 1HG GLU 62 1HG GLU 62 2.461 -1.113 -5.374 490 2HG GLU 62 2HG GLU 62 2.316 -1.075 -7.130 491 H ALA 63 H ALA 63 -0.809 -0.337 -3.395 492 HA ALA 63 HA ALA 63 -3.662 -0.682 -3.887 493 1HB ALA 63 1HB ALA 63 -4.061 -1.565 -1.626 494 2HB ALA 63 2HB ALA 63 -2.315 -1.662 -1.367 495 3HB ALA 63 3HB ALA 63 -3.083 -2.660 -2.604 496 H ARG 64 H ARG 64 -4.983 0.546 -2.406 497 HA ARG 64 HA ARG 64 -3.627 2.893 -1.227 498 1HB ARG 64 1HB ARG 64 -6.475 2.711 -2.256 499 2HB ARG 64 2HB ARG 64 -5.659 4.157 -1.684 500 1HG ARG 64 1HG ARG 64 -4.587 2.653 -4.039 501 2HG ARG 64 2HG ARG 64 -5.948 3.758 -4.223 502 1HD ARG 64 1HD ARG 64 -4.572 5.561 -3.233 503 2HD ARG 64 2HD ARG 64 -3.207 4.448 -3.162 504 HE ARG 64 HE ARG 64 -2.802 5.074 -5.304 505 1HH1 ARG 64 1HH1 ARG 64 -6.297 5.102 -4.882 506 2HH1 ARG 64 2HH1 ARG 64 -6.611 5.513 -6.534 507 1HH2 ARG 64 1HH2 ARG 64 -3.241 5.671 -7.472 508 2HH2 ARG 64 2HH2 ARG 64 -4.887 5.839 -7.995 509 H LYS 65 H LYS 65 -3.854 3.054 0.960 510 HA LYS 65 HA LYS 65 -5.517 1.104 2.310 511 1HB LYS 65 1HB LYS 65 -3.304 1.513 3.219 512 2HB LYS 65 2HB LYS 65 -3.657 3.226 3.404 513 1HG LYS 65 1HG LYS 65 -3.770 1.991 5.534 514 2HG LYS 65 2HG LYS 65 -5.303 2.757 5.111 515 1HD LYS 65 1HD LYS 65 -6.088 0.562 4.219 516 2HD LYS 65 2HD LYS 65 -4.589 -0.169 4.797 517 1HE LYS 65 1HE LYS 65 -6.452 -0.524 6.364 518 2HE LYS 65 2HE LYS 65 -5.158 0.427 7.091 519 1HZ LYS 65 1HZ LYS 65 -6.429 2.425 6.711 520 2HZ LYS 65 2HZ LYS 65 -7.367 1.321 7.581 521 3HZ LYS 65 3HZ LYS 65 -7.651 1.553 5.932 522 H LEU 66 H LEU 66 -7.596 1.498 2.440 523 HA LEU 66 HA LEU 66 -8.659 4.186 2.627 524 1HB LEU 66 1HB LEU 66 -10.092 1.520 2.676 525 2HB LEU 66 2HB LEU 66 -10.847 3.093 2.496 526 HG LEU 66 HG LEU 66 -8.975 1.788 0.506 527 1HD1 LEU 66 1HD1 LEU 66 -11.163 0.721 0.569 528 2HD1 LEU 66 2HD1 LEU 66 -10.956 1.636 -0.924 529 3HD1 LEU 66 3HD1 LEU 66 -11.950 2.289 0.379 530 1HD2 LEU 66 1HD2 LEU 66 -9.541 3.668 -0.964 531 2HD2 LEU 66 2HD2 LEU 66 -8.719 4.215 0.496 532 3HD2 LEU 66 3HD2 LEU 66 -10.464 4.414 0.341 Start of MODEL 6 1 H MET 1 H MET 1 3.701 1.780 -1.647 2 HA MET 1 HA MET 1 3.238 0.262 0.166 3 1HB MET 1 1HB MET 1 0.985 0.490 -1.849 4 2HB MET 1 2HB MET 1 0.786 0.134 -0.138 5 1HG MET 1 1HG MET 1 1.880 2.680 -1.317 6 2HG MET 1 2HG MET 1 0.290 2.456 -0.589 7 1HE MET 1 1HE MET 1 2.267 4.800 0.285 8 2HE MET 1 2HE MET 1 2.088 4.729 2.039 9 3HE MET 1 3HE MET 1 0.677 4.532 0.999 10 H LYS 2 H LYS 2 3.774 -1.760 0.634 11 HA LYS 2 HA LYS 2 3.713 -3.800 -1.437 12 1HB LYS 2 1HB LYS 2 5.746 -3.431 -0.066 13 2HB LYS 2 2HB LYS 2 4.841 -3.875 1.374 14 1HG LYS 2 1HG LYS 2 6.104 -5.774 0.766 15 2HG LYS 2 2HG LYS 2 4.439 -6.121 0.298 16 1HD LYS 2 1HD LYS 2 4.975 -5.483 -2.022 17 2HD LYS 2 2HD LYS 2 6.646 -5.178 -1.543 18 1HE LYS 2 1HE LYS 2 6.781 -7.565 -0.798 19 2HE LYS 2 2HE LYS 2 5.182 -7.818 -1.499 20 1HZ LYS 2 1HZ LYS 2 6.810 -8.495 -3.076 21 2HZ LYS 2 2HZ LYS 2 7.662 -7.046 -2.926 22 3HZ LYS 2 3HZ LYS 2 6.133 -7.054 -3.645 23 H VAL 3 H VAL 3 1.906 -4.978 -1.651 24 HA VAL 3 HA VAL 3 0.903 -6.377 0.704 25 HB VAL 3 HB VAL 3 -0.553 -4.331 0.358 26 1HG1 VAL 3 1HG1 VAL 3 -1.394 -5.796 -2.147 27 2HG1 VAL 3 2HG1 VAL 3 -0.548 -4.251 -2.074 28 3HG1 VAL 3 3HG1 VAL 3 -2.198 -4.382 -1.466 29 1HG2 VAL 3 1HG2 VAL 3 -1.349 -6.261 1.599 30 2HG2 VAL 3 2HG2 VAL 3 -1.881 -7.031 0.104 31 3HG2 VAL 3 3HG2 VAL 3 -2.663 -5.550 0.661 32 H MET 4 H MET 4 0.174 -8.435 0.243 33 HA MET 4 HA MET 4 0.254 -9.245 -2.598 34 1HB MET 4 1HB MET 4 2.103 -10.259 -1.397 35 2HB MET 4 2HB MET 4 1.021 -10.835 -0.137 36 1HG MET 4 1HG MET 4 -0.076 -12.318 -1.728 37 2HG MET 4 2HG MET 4 0.964 -11.721 -3.018 38 1HE MET 4 1HE MET 4 3.803 -11.498 -1.654 39 2HE MET 4 2HE MET 4 3.515 -12.230 -3.233 40 3HE MET 4 3HE MET 4 4.462 -13.093 -2.024 41 H ILE 5 H ILE 5 -1.650 -9.812 -3.383 42 HA ILE 5 HA ILE 5 -3.841 -10.493 -1.589 43 HB ILE 5 HB ILE 5 -3.855 -10.233 -4.607 44 1HG1 ILE 5 1HG1 ILE 5 -3.289 -8.098 -3.545 45 2HG1 ILE 5 2HG1 ILE 5 -4.914 -8.035 -4.215 46 1HG2 ILE 5 1HG2 ILE 5 -5.665 -11.640 -3.779 47 2HG2 ILE 5 2HG2 ILE 5 -6.299 -10.100 -4.358 48 3HG2 ILE 5 3HG2 ILE 5 -6.133 -10.390 -2.627 49 1HD1 ILE 5 1HD1 ILE 5 -4.203 -8.424 -1.315 50 2HD1 ILE 5 2HD1 ILE 5 -5.839 -8.389 -1.976 51 3HD1 ILE 5 3HD1 ILE 5 -4.824 -6.949 -2.058 52 H ARG 6 H ARG 6 -4.133 -12.510 -1.012 53 HA ARG 6 HA ARG 6 -3.177 -14.680 -2.763 54 1HB ARG 6 1HB ARG 6 -3.547 -14.631 0.249 55 2HB ARG 6 2HB ARG 6 -2.985 -16.014 -0.685 56 1HG ARG 6 1HG ARG 6 -0.979 -14.859 -1.316 57 2HG ARG 6 2HG ARG 6 -1.560 -13.359 -0.595 58 1HD ARG 6 1HD ARG 6 -1.461 -14.336 1.615 59 2HD ARG 6 2HD ARG 6 -1.014 -15.902 0.936 60 HE ARG 6 HE ARG 6 0.958 -14.341 0.022 61 1HH1 ARG 6 1HH1 ARG 6 -0.421 -14.592 3.238 62 2HH1 ARG 6 2HH1 ARG 6 1.092 -14.297 4.034 63 1HH2 ARG 6 1HH2 ARG 6 2.937 -13.930 1.086 64 2HH2 ARG 6 2HH2 ARG 6 2.992 -13.932 2.822 65 H LYS 7 H LYS 7 -4.756 -15.781 -3.732 66 HA LYS 7 HA LYS 7 -7.284 -16.151 -2.289 67 1HB LYS 7 1HB LYS 7 -8.340 -16.137 -4.686 68 2HB LYS 7 2HB LYS 7 -8.039 -14.631 -3.842 69 1HG LYS 7 1HG LYS 7 -7.378 -14.297 -6.083 70 2HG LYS 7 2HG LYS 7 -5.897 -14.428 -5.140 71 1HD LYS 7 1HD LYS 7 -5.722 -15.641 -7.252 72 2HD LYS 7 2HD LYS 7 -5.620 -16.743 -5.881 73 1HE LYS 7 1HE LYS 7 -7.994 -17.330 -6.204 74 2HE LYS 7 2HE LYS 7 -8.063 -16.246 -7.593 75 1HZ LYS 7 1HZ LYS 7 -6.309 -18.633 -7.365 76 2HZ LYS 7 2HZ LYS 7 -6.415 -17.608 -8.700 77 3HZ LYS 7 3HZ LYS 7 -7.743 -18.554 -8.256 78 H THR 8 H THR 8 -8.184 -18.102 -2.354 79 HA THR 8 HA THR 8 -7.165 -20.194 -4.108 80 HB THR 8 HB THR 8 -7.258 -20.693 -1.120 81 HG1 THR 8 HG1 THR 8 -5.000 -20.305 -1.090 82 1HG2 THR 8 1HG2 THR 8 -5.761 -22.051 -3.375 83 2HG2 THR 8 2HG2 THR 8 -7.222 -22.656 -2.592 84 3HG2 THR 8 3HG2 THR 8 -5.720 -22.527 -1.677 85 H ALA 9 H ALA 9 -8.520 -22.337 -3.324 86 HA ALA 9 HA ALA 9 -11.181 -21.957 -3.898 87 1HB ALA 9 1HB ALA 9 -11.576 -24.187 -2.971 88 2HB ALA 9 2HB ALA 9 -10.015 -24.132 -2.152 89 3HB ALA 9 3HB ALA 9 -10.086 -24.149 -3.913 90 H THR 10 H THR 10 -12.490 -20.601 -2.897 91 HA THR 10 HA THR 10 -13.782 -19.559 -1.399 92 HB THR 10 HB THR 10 -14.338 -20.553 0.775 93 HG1 THR 10 HG1 THR 10 -12.045 -21.550 0.894 94 1HG2 THR 10 1HG2 THR 10 -15.288 -22.667 -0.049 95 2HG2 THR 10 2HG2 THR 10 -14.267 -22.557 -1.483 96 3HG2 THR 10 3HG2 THR 10 -15.518 -21.348 -1.195 97 H GLY 11 H GLY 11 -10.601 -20.446 -0.104 98 1HA GLY 11 1HA GLY 11 -10.623 -18.426 1.925 99 2HA GLY 11 2HA GLY 11 -9.252 -19.407 1.436 100 H HIS 12 H HIS 12 -10.618 -16.344 1.375 101 HA HIS 12 HA HIS 12 -8.604 -15.417 -0.587 102 1HB HIS 12 1HB HIS 12 -11.197 -14.045 0.195 103 2HB HIS 12 2HB HIS 12 -10.037 -13.476 -1.001 104 HD1 HIS 12 HD1 HIS 12 -12.771 -15.970 -0.483 105 HD2 HIS 12 HD2 HIS 12 -10.152 -14.780 -3.487 106 HE1 HIS 12 HE1 HIS 12 -13.624 -17.047 -2.591 107 HE2 HIS 12 HE2 HIS 12 -12.140 -16.147 -4.421 108 H SER 13 H SER 13 -7.062 -14.113 0.219 109 HA SER 13 HA SER 13 -7.524 -12.661 2.706 110 1HB SER 13 1HB SER 13 -5.326 -13.519 3.610 111 2HB SER 13 2HB SER 13 -6.604 -14.730 3.528 112 HG SER 13 HG SER 13 -5.654 -15.390 1.491 113 H ALA 14 H ALA 14 -6.003 -10.977 3.081 114 HA ALA 14 HA ALA 14 -4.260 -10.305 0.801 115 1HB ALA 14 1HB ALA 14 -4.851 -7.959 1.019 116 2HB ALA 14 2HB ALA 14 -5.933 -8.328 2.362 117 3HB ALA 14 3HB ALA 14 -6.310 -8.913 0.743 118 H TYR 15 H TYR 15 -2.231 -10.290 1.478 119 HA TYR 15 HA TYR 15 -1.670 -10.085 4.327 120 1HB TYR 15 1HB TYR 15 -0.663 -11.946 3.089 121 2HB TYR 15 2HB TYR 15 0.139 -10.812 2.006 122 HD1 TYR 15 HD1 TYR 15 2.371 -10.345 2.442 123 HD2 TYR 15 HD2 TYR 15 -0.148 -11.478 5.685 124 HE1 TYR 15 HE1 TYR 15 4.297 -10.252 3.965 125 HE2 TYR 15 HE2 TYR 15 1.775 -11.389 7.214 126 HH TYR 15 HH TYR 15 4.101 -11.378 7.263 127 H VAL 16 H VAL 16 -1.622 -8.031 4.985 128 HA VAL 16 HA VAL 16 -0.341 -5.925 3.473 129 HB VAL 16 HB VAL 16 -1.292 -5.887 6.355 130 1HG1 VAL 16 1HG1 VAL 16 -0.659 -3.628 4.447 131 2HG1 VAL 16 2HG1 VAL 16 0.278 -4.093 5.868 132 3HG1 VAL 16 3HG1 VAL 16 -1.349 -3.442 6.060 133 1HG2 VAL 16 1HG2 VAL 16 -3.133 -6.447 4.849 134 2HG2 VAL 16 2HG2 VAL 16 -2.757 -5.045 3.846 135 3HG2 VAL 16 3HG2 VAL 16 -3.330 -4.818 5.499 136 H ALA 17 H ALA 17 1.807 -6.177 3.255 137 HA ALA 17 HA ALA 17 3.464 -7.727 4.831 138 1HB ALA 17 1HB ALA 17 3.986 -7.028 2.541 139 2HB ALA 17 2HB ALA 17 5.325 -6.718 3.646 140 3HB ALA 17 3HB ALA 17 4.294 -5.388 3.115 141 H LYS 18 H LYS 18 3.215 -4.155 4.904 142 HA LYS 18 HA LYS 18 5.226 -3.829 6.855 143 1HB LYS 18 1HB LYS 18 4.306 -1.499 7.096 144 2HB LYS 18 2HB LYS 18 4.735 -1.969 5.462 145 1HG LYS 18 1HG LYS 18 2.725 -0.789 5.253 146 2HG LYS 18 2HG LYS 18 2.273 -2.484 5.106 147 1HD LYS 18 1HD LYS 18 0.667 -1.300 6.493 148 2HD LYS 18 2HD LYS 18 1.546 -2.479 7.463 149 1HE LYS 18 1HE LYS 18 1.307 -0.411 8.701 150 2HE LYS 18 2HE LYS 18 3.003 -0.667 8.302 151 1HZ LYS 18 1HZ LYS 18 1.180 1.094 6.755 152 2HZ LYS 18 2HZ LYS 18 2.848 0.940 6.557 153 3HZ LYS 18 3HZ LYS 18 2.226 1.642 7.964 154 H LYS 19 H LYS 19 2.106 -5.019 7.225 155 HA LYS 19 HA LYS 19 2.109 -4.343 10.101 156 1HB LYS 19 1HB LYS 19 0.223 -3.398 8.665 157 2HB LYS 19 2HB LYS 19 -0.331 -5.053 8.459 158 1HG LYS 19 1HG LYS 19 -0.654 -5.253 10.877 159 2HG LYS 19 2HG LYS 19 -0.076 -3.597 11.093 160 1HD LYS 19 1HD LYS 19 -1.946 -2.836 9.604 161 2HD LYS 19 2HD LYS 19 -2.560 -4.489 9.620 162 1HE LYS 19 1HE LYS 19 -2.203 -2.698 12.025 163 2HE LYS 19 2HE LYS 19 -3.733 -3.090 11.243 164 1HZ LYS 19 1HZ LYS 19 -3.368 -4.416 13.228 165 2HZ LYS 19 2HZ LYS 19 -1.936 -5.039 12.588 166 3HZ LYS 19 3HZ LYS 19 -3.417 -5.405 11.859 167 H ASP 20 H ASP 20 2.537 -6.779 7.856 168 HA ASP 20 HA ASP 20 2.582 -9.053 7.897 169 1HB ASP 20 1HB ASP 20 4.104 -8.630 9.801 170 2HB ASP 20 2HB ASP 20 2.730 -8.615 10.900 171 H LEU 21 H LEU 21 0.063 -7.617 7.971 172 HA LEU 21 HA LEU 21 -1.741 -9.174 9.633 173 1HB LEU 21 1HB LEU 21 -2.005 -6.721 9.379 174 2HB LEU 21 2HB LEU 21 -2.284 -6.931 7.664 175 HG LEU 21 HG LEU 21 -4.112 -8.192 9.715 176 1HD1 LEU 21 1HD1 LEU 21 -4.025 -5.812 10.220 177 2HD1 LEU 21 2HD1 LEU 21 -5.575 -6.243 9.501 178 3HD1 LEU 21 3HD1 LEU 21 -4.350 -5.424 8.530 179 1HD2 LEU 21 1HD2 LEU 21 -4.516 -7.369 6.830 180 2HD2 LEU 21 2HD2 LEU 21 -5.764 -8.032 7.886 181 3HD2 LEU 21 3HD2 LEU 21 -4.373 -9.018 7.442 182 H GLU 22 H GLU 22 -2.607 -11.019 8.932 183 HA GLU 22 HA GLU 22 -3.436 -11.173 6.116 184 1HB GLU 22 1HB GLU 22 -1.462 -12.595 6.332 185 2HB GLU 22 2HB GLU 22 -2.160 -13.402 7.730 186 1HG GLU 22 1HG GLU 22 -3.920 -14.341 6.340 187 2HG GLU 22 2HG GLU 22 -3.287 -13.489 4.933 188 H GLU 23 H GLU 23 -5.539 -10.897 6.348 189 HA GLU 23 HA GLU 23 -7.033 -12.730 8.110 190 1HB GLU 23 1HB GLU 23 -7.245 -9.776 7.845 191 2HB GLU 23 2HB GLU 23 -8.775 -10.633 7.805 192 1HG GLU 23 1HG GLU 23 -8.548 -10.114 10.037 193 2HG GLU 23 2HG GLU 23 -7.955 -11.769 9.971 194 H LEU 24 H LEU 24 -9.300 -13.062 7.298 195 HA LEU 24 HA LEU 24 -9.211 -13.652 4.478 196 1HB LEU 24 1HB LEU 24 -11.387 -14.044 6.542 197 2HB LEU 24 2HB LEU 24 -11.501 -14.584 4.876 198 HG LEU 24 HG LEU 24 -9.512 -15.574 6.932 199 1HD1 LEU 24 1HD1 LEU 24 -10.720 -17.694 6.741 200 2HD1 LEU 24 2HD1 LEU 24 -11.874 -16.942 5.639 201 3HD1 LEU 24 3HD1 LEU 24 -11.774 -16.400 7.314 202 1HD2 LEU 24 1HD2 LEU 24 -8.834 -17.191 5.214 203 2HD2 LEU 24 2HD2 LEU 24 -8.509 -15.532 4.713 204 3HD2 LEU 24 3HD2 LEU 24 -9.896 -16.398 4.050 205 H ILE 25 H ILE 25 -10.089 -12.525 2.873 206 HA ILE 25 HA ILE 25 -11.281 -9.971 3.275 207 HB ILE 25 HB ILE 25 -11.141 -11.680 0.773 208 1HG1 ILE 25 1HG1 ILE 25 -9.382 -9.388 1.701 209 2HG1 ILE 25 2HG1 ILE 25 -8.928 -11.088 1.704 210 1HG2 ILE 25 1HG2 ILE 25 -11.784 -8.744 1.075 211 2HG2 ILE 25 2HG2 ILE 25 -12.917 -10.015 0.615 212 3HG2 ILE 25 3HG2 ILE 25 -11.577 -9.599 -0.453 213 1HD1 ILE 25 1HD1 ILE 25 -9.556 -9.444 -0.740 214 2HD1 ILE 25 2HD1 ILE 25 -9.061 -11.139 -0.722 215 3HD1 ILE 25 3HD1 ILE 25 -7.948 -9.888 -0.170 216 H VAL 26 H VAL 26 -13.223 -9.866 4.201 217 HA VAL 26 HA VAL 26 -15.210 -11.933 3.853 218 HB VAL 26 HB VAL 26 -16.619 -10.439 5.345 219 1HG1 VAL 26 1HG1 VAL 26 -15.328 -12.318 6.237 220 2HG1 VAL 26 2HG1 VAL 26 -15.331 -10.969 7.373 221 3HG1 VAL 26 3HG1 VAL 26 -13.905 -11.285 6.385 222 1HG2 VAL 26 1HG2 VAL 26 -15.470 -8.638 6.561 223 2HG2 VAL 26 2HG2 VAL 26 -15.569 -8.294 4.834 224 3HG2 VAL 26 3HG2 VAL 26 -14.050 -8.854 5.536 225 H GLU 27 H GLU 27 -14.943 -8.481 3.062 226 HA GLU 27 HA GLU 27 -17.333 -8.735 1.357 227 1HB GLU 27 1HB GLU 27 -16.033 -6.254 2.505 228 2HB GLU 27 2HB GLU 27 -17.476 -6.269 1.501 229 1HG GLU 27 1HG GLU 27 -17.175 -7.416 4.274 230 2HG GLU 27 2HG GLU 27 -18.080 -5.977 3.814 231 H MET 28 H MET 28 -17.227 -8.173 -0.797 232 HA MET 28 HA MET 28 -14.601 -7.352 -1.859 233 1HB MET 28 1HB MET 28 -16.370 -9.540 -3.001 234 2HB MET 28 2HB MET 28 -14.874 -8.956 -3.716 235 1HG MET 28 1HG MET 28 -13.585 -9.832 -1.912 236 2HG MET 28 2HG MET 28 -15.037 -10.240 -1.000 237 1HE MET 28 1HE MET 28 -14.459 -12.713 -0.569 238 2HE MET 28 2HE MET 28 -12.871 -12.396 -1.267 239 3HE MET 28 3HE MET 28 -13.799 -13.802 -1.789 240 H GLU 29 H GLU 29 -14.701 -6.266 -3.890 241 HA GLU 29 HA GLU 29 -16.965 -4.666 -4.428 242 1HB GLU 29 1HB GLU 29 -14.638 -4.100 -5.106 243 2HB GLU 29 2HB GLU 29 -14.675 -5.411 -6.274 244 1HG GLU 29 1HG GLU 29 -15.045 -3.348 -7.418 245 2HG GLU 29 2HG GLU 29 -16.544 -4.274 -7.431 246 H ASN 30 H ASN 30 -15.627 -7.528 -6.006 247 HA ASN 30 HA ASN 30 -18.275 -8.132 -7.144 248 1HB ASN 30 1HB ASN 30 -15.573 -8.489 -8.490 249 2HB ASN 30 2HB ASN 30 -17.097 -9.100 -9.126 250 1HD2 ASN 30 1HD2 ASN 30 -15.199 -7.195 -10.274 251 2HD2 ASN 30 2HD2 ASN 30 -16.109 -5.761 -10.599 252 HA PRO 31 HA PRO 31 -18.194 -11.906 -4.973 253 1HB PRO 31 1HB PRO 31 -18.857 -13.726 -7.011 254 2HB PRO 31 2HB PRO 31 -19.987 -12.832 -5.995 255 1HG PRO 31 1HG PRO 31 -19.023 -12.219 -8.752 256 2HG PRO 31 2HG PRO 31 -20.632 -11.982 -8.043 257 1HD PRO 31 1HD PRO 31 -18.974 -9.919 -8.407 258 2HD PRO 31 2HD PRO 31 -19.999 -10.018 -6.958 259 H ALA 32 H ALA 32 -16.263 -11.754 -7.891 260 HA ALA 32 HA ALA 32 -14.742 -14.117 -7.389 261 1HB ALA 32 1HB ALA 32 -14.054 -11.674 -9.027 262 2HB ALA 32 2HB ALA 32 -14.795 -13.163 -9.619 263 3HB ALA 32 3HB ALA 32 -13.137 -13.181 -9.012 264 H LEU 33 H LEU 33 -13.792 -10.693 -7.170 265 HA LEU 33 HA LEU 33 -12.692 -10.589 -4.680 266 1HB LEU 33 1HB LEU 33 -11.275 -12.520 -5.604 267 2HB LEU 33 2HB LEU 33 -10.500 -11.330 -6.630 268 HG LEU 33 HG LEU 33 -9.728 -10.101 -4.637 269 1HD1 LEU 33 1HD1 LEU 33 -9.937 -11.115 -2.416 270 2HD1 LEU 33 2HD1 LEU 33 -10.969 -12.378 -3.087 271 3HD1 LEU 33 3HD1 LEU 33 -11.512 -10.698 -3.091 272 1HD2 LEU 33 1HD2 LEU 33 -8.059 -11.738 -3.895 273 2HD2 LEU 33 2HD2 LEU 33 -8.270 -11.773 -5.644 274 3HD2 LEU 33 3HD2 LEU 33 -8.994 -13.033 -4.644 275 H TRP 34 H TRP 34 -11.121 -9.965 -7.809 276 HA TRP 34 HA TRP 34 -10.491 -7.257 -7.117 277 1HB TRP 34 1HB TRP 34 -10.230 -8.697 -9.776 278 2HB TRP 34 2HB TRP 34 -9.462 -7.169 -9.348 279 HD1 TRP 34 HD1 TRP 34 -9.385 -10.892 -8.264 280 HE1 TRP 34 HE1 TRP 34 -7.031 -11.416 -7.373 281 HE3 TRP 34 HE3 TRP 34 -7.341 -6.214 -8.562 282 HZ2 TRP 34 HZ2 TRP 34 -4.630 -10.034 -6.868 283 HZ3 TRP 34 HZ3 TRP 34 -5.005 -5.903 -7.860 284 HH2 TRP 34 HH2 TRP 34 -3.678 -7.778 -7.030 285 H GLY 35 H GLY 35 -11.185 -5.364 -8.249 286 1HA GLY 35 1HA GLY 35 -12.917 -5.059 -10.304 287 2HA GLY 35 2HA GLY 35 -13.990 -5.434 -8.963 288 H GLY 36 H GLY 36 -12.265 -4.094 -6.999 289 1HA GLY 36 1HA GLY 36 -11.968 -1.361 -7.621 290 2HA GLY 36 2HA GLY 36 -13.581 -1.622 -6.962 291 H LYS 37 H LYS 37 -13.730 -2.644 -4.835 292 HA LYS 37 HA LYS 37 -11.300 -2.331 -3.207 293 1HB LYS 37 1HB LYS 37 -12.745 -1.441 -1.359 294 2HB LYS 37 2HB LYS 37 -12.602 -0.372 -2.743 295 1HG LYS 37 1HG LYS 37 -14.854 -0.249 -2.108 296 2HG LYS 37 2HG LYS 37 -14.839 -1.300 -3.521 297 1HD LYS 37 1HD LYS 37 -16.328 -2.237 -1.878 298 2HD LYS 37 2HD LYS 37 -14.906 -3.270 -1.991 299 1HE LYS 37 1HE LYS 37 -15.386 -3.059 0.321 300 2HE LYS 37 2HE LYS 37 -13.996 -2.019 0.020 301 1HZ LYS 37 1HZ LYS 37 -16.811 -1.091 0.181 302 2HZ LYS 37 2HZ LYS 37 -15.447 -0.108 -0.010 303 3HZ LYS 37 3HZ LYS 37 -15.677 -0.965 1.430 304 H VAL 38 H VAL 38 -11.296 -3.554 -1.226 305 HA VAL 38 HA VAL 38 -13.372 -5.598 -0.902 306 HB VAL 38 HB VAL 38 -11.811 -7.370 -0.458 307 1HG1 VAL 38 1HG1 VAL 38 -11.048 -6.019 -3.049 308 2HG1 VAL 38 2HG1 VAL 38 -12.404 -7.119 -2.797 309 3HG1 VAL 38 3HG1 VAL 38 -10.750 -7.712 -2.645 310 1HG2 VAL 38 1HG2 VAL 38 -9.616 -5.342 -0.902 311 2HG2 VAL 38 2HG2 VAL 38 -9.357 -7.078 -0.741 312 3HG2 VAL 38 3HG2 VAL 38 -10.024 -6.159 0.607 313 H THR 39 H THR 39 -13.148 -6.611 1.325 314 HA THR 39 HA THR 39 -11.889 -4.780 3.256 315 HB THR 39 HB THR 39 -14.694 -5.869 3.612 316 HG1 THR 39 HG1 THR 39 -15.076 -3.431 3.319 317 1HG2 THR 39 1HG2 THR 39 -13.503 -5.374 5.706 318 2HG2 THR 39 2HG2 THR 39 -14.813 -4.224 5.437 319 3HG2 THR 39 3HG2 THR 39 -13.144 -3.748 5.122 320 H LEU 40 H LEU 40 -10.701 -5.823 4.683 321 HA LEU 40 HA LEU 40 -10.644 -8.700 4.775 322 1HB LEU 40 1HB LEU 40 -9.113 -6.541 6.229 323 2HB LEU 40 2HB LEU 40 -8.898 -8.238 6.601 324 HG LEU 40 HG LEU 40 -7.126 -7.466 5.139 325 1HD1 LEU 40 1HD1 LEU 40 -9.042 -9.291 3.691 326 2HD1 LEU 40 2HD1 LEU 40 -7.866 -9.771 4.914 327 3HD1 LEU 40 3HD1 LEU 40 -7.315 -9.128 3.370 328 1HD2 LEU 40 1HD2 LEU 40 -9.297 -6.773 3.153 329 2HD2 LEU 40 2HD2 LEU 40 -7.559 -6.705 2.859 330 3HD2 LEU 40 3HD2 LEU 40 -8.295 -5.622 4.039 331 H ALA 41 H ALA 41 -10.798 -9.934 6.784 332 HA ALA 41 HA ALA 41 -13.087 -9.439 8.324 333 1HB ALA 41 1HB ALA 41 -10.711 -11.169 9.042 334 2HB ALA 41 2HB ALA 41 -12.077 -11.671 8.046 335 3HB ALA 41 3HB ALA 41 -12.326 -11.271 9.746 336 H ASN 42 H ASN 42 -9.894 -8.227 8.566 337 HA ASN 42 HA ASN 42 -9.776 -7.461 11.268 338 1HB ASN 42 1HB ASN 42 -7.851 -7.428 9.662 339 2HB ASN 42 2HB ASN 42 -8.569 -6.023 8.881 340 1HD2 ASN 42 1HD2 ASN 42 -6.764 -7.191 11.562 341 2HD2 ASN 42 2HD2 ASN 42 -6.443 -5.658 12.297 342 H GLY 43 H GLY 43 -11.614 -6.269 8.615 343 1HA GLY 43 1HA GLY 43 -13.397 -4.737 8.753 344 2HA GLY 43 2HA GLY 43 -12.725 -4.117 10.256 345 H TRP 44 H TRP 44 -10.410 -4.534 7.833 346 HA TRP 44 HA TRP 44 -10.352 -1.631 7.353 347 1HB TRP 44 1HB TRP 44 -8.387 -2.825 8.499 348 2HB TRP 44 2HB TRP 44 -8.058 -3.560 6.932 349 HD1 TRP 44 HD1 TRP 44 -6.751 -2.108 5.186 350 HE1 TRP 44 HE1 TRP 44 -5.758 0.264 5.220 351 HE3 TRP 44 HE3 TRP 44 -8.877 -0.401 9.508 352 HZ2 TRP 44 HZ2 TRP 44 -5.863 2.556 6.860 353 HZ3 TRP 44 HZ3 TRP 44 -8.380 1.896 10.243 354 HH2 TRP 44 HH2 TRP 44 -6.902 3.344 8.944 355 H GLN 45 H GLN 45 -10.250 -0.838 5.274 356 HA GLN 45 HA GLN 45 -11.068 -2.708 3.178 357 1HB GLN 45 1HB GLN 45 -11.054 0.321 3.197 358 2HB GLN 45 2HB GLN 45 -11.716 -0.690 1.920 359 1HG GLN 45 1HG GLN 45 -13.368 -1.586 3.506 360 2HG GLN 45 2HG GLN 45 -12.720 -0.527 4.759 361 1HE2 GLN 45 1HE2 GLN 45 -13.073 1.713 4.599 362 2HE2 GLN 45 2HE2 GLN 45 -14.308 2.364 3.581 363 H LEU 46 H LEU 46 -10.058 -2.823 1.172 364 HA LEU 46 HA LEU 46 -7.572 -1.341 0.740 365 1HB LEU 46 1HB LEU 46 -7.288 -3.755 1.807 366 2HB LEU 46 2HB LEU 46 -7.586 -4.290 0.166 367 HG LEU 46 HG LEU 46 -5.183 -4.179 0.706 368 1HD1 LEU 46 1HD1 LEU 46 -5.998 -2.146 -1.369 369 2HD1 LEU 46 2HD1 LEU 46 -5.877 -3.889 -1.616 370 3HD1 LEU 46 3HD1 LEU 46 -4.430 -2.949 -1.252 371 1HD2 LEU 46 1HD2 LEU 46 -4.077 -2.037 1.041 372 2HD2 LEU 46 2HD2 LEU 46 -5.269 -2.330 2.304 373 3HD2 LEU 46 3HD2 LEU 46 -5.631 -1.207 0.992 374 H GLU 47 H GLU 47 -7.381 -0.727 -1.373 375 HA GLU 47 HA GLU 47 -9.648 -1.361 -3.089 376 1HB GLU 47 1HB GLU 47 -8.929 0.995 -2.679 377 2HB GLU 47 2HB GLU 47 -7.424 0.643 -3.514 378 1HG GLU 47 1HG GLU 47 -8.627 0.202 -5.572 379 2HG GLU 47 2HG GLU 47 -10.166 0.452 -4.745 380 H LEU 48 H LEU 48 -9.547 -2.853 -4.610 381 HA LEU 48 HA LEU 48 -6.954 -3.521 -5.854 382 1HB LEU 48 1HB LEU 48 -9.262 -5.333 -5.136 383 2HB LEU 48 2HB LEU 48 -8.024 -5.801 -6.285 384 HG LEU 48 HG LEU 48 -7.428 -6.816 -4.243 385 1HD1 LEU 48 1HD1 LEU 48 -5.292 -5.789 -3.676 386 2HD1 LEU 48 2HD1 LEU 48 -5.776 -4.303 -4.495 387 3HD1 LEU 48 3HD1 LEU 48 -5.555 -5.789 -5.420 388 1HD2 LEU 48 1HD2 LEU 48 -7.266 -5.662 -2.120 389 2HD2 LEU 48 2HD2 LEU 48 -8.888 -5.477 -2.791 390 3HD2 LEU 48 3HD2 LEU 48 -7.740 -4.142 -2.881 391 HA PRO 49 HA PRO 49 -9.270 -1.981 -9.409 392 1HB PRO 49 1HB PRO 49 -6.803 -2.625 -10.894 393 2HB PRO 49 2HB PRO 49 -7.605 -1.067 -10.685 394 1HG PRO 49 1HG PRO 49 -5.265 -1.624 -9.476 395 2HG PRO 49 2HG PRO 49 -6.500 -0.610 -8.704 396 1HD PRO 49 1HD PRO 49 -5.856 -3.507 -8.232 397 2HD PRO 49 2HD PRO 49 -6.210 -2.227 -7.047 398 H ALA 50 H ALA 50 -10.184 -2.934 -11.279 399 HA ALA 50 HA ALA 50 -10.391 -5.782 -11.232 400 1HB ALA 50 1HB ALA 50 -12.285 -4.364 -11.875 401 2HB ALA 50 2HB ALA 50 -11.885 -5.517 -13.150 402 3HB ALA 50 3HB ALA 50 -11.401 -3.827 -13.304 403 H MET 51 H MET 51 -8.089 -6.215 -11.456 404 HA MET 51 HA MET 51 -6.883 -5.734 -14.061 405 1HB MET 51 1HB MET 51 -5.833 -7.064 -11.551 406 2HB MET 51 2HB MET 51 -4.900 -6.899 -13.033 407 1HG MET 51 1HG MET 51 -6.007 -4.619 -11.402 408 2HG MET 51 2HG MET 51 -4.335 -5.183 -11.380 409 1HE MET 51 1HE MET 51 -4.036 -1.748 -13.260 410 2HE MET 51 2HE MET 51 -3.426 -2.732 -11.931 411 3HE MET 51 3HE MET 51 -5.087 -2.141 -11.899 412 H ALA 52 H ALA 52 -6.923 -8.681 -12.068 413 HA ALA 52 HA ALA 52 -8.232 -10.227 -14.107 414 1HB ALA 52 1HB ALA 52 -6.367 -11.755 -14.542 415 2HB ALA 52 2HB ALA 52 -5.308 -10.756 -13.544 416 3HB ALA 52 3HB ALA 52 -5.970 -10.111 -15.046 417 H ALA 53 H ALA 53 -9.605 -11.255 -12.791 418 HA ALA 53 HA ALA 53 -9.009 -12.120 -10.153 419 1HB ALA 53 1HB ALA 53 -11.124 -13.363 -10.301 420 2HB ALA 53 2HB ALA 53 -11.186 -13.052 -12.037 421 3HB ALA 53 3HB ALA 53 -11.306 -11.712 -10.896 422 H ASP 54 H ASP 54 -8.691 -13.518 -13.324 423 HA ASP 54 HA ASP 54 -8.147 -16.189 -12.466 424 1HB ASP 54 1HB ASP 54 -7.655 -14.768 -15.095 425 2HB ASP 54 2HB ASP 54 -7.281 -16.469 -14.829 426 H THR 55 H THR 55 -6.596 -15.930 -10.862 427 HA THR 55 HA THR 55 -3.868 -15.691 -11.909 428 HB THR 55 HB THR 55 -4.754 -14.422 -9.297 429 HG1 THR 55 HG1 THR 55 -5.473 -13.058 -10.872 430 1HG2 THR 55 1HG2 THR 55 -2.109 -14.325 -10.768 431 2HG2 THR 55 2HG2 THR 55 -2.427 -15.221 -9.282 432 3HG2 THR 55 3HG2 THR 55 -2.495 -13.458 -9.281 433 HA PRO 56 HA PRO 56 -4.133 -19.569 -9.596 434 1HB PRO 56 1HB PRO 56 -2.232 -20.894 -10.904 435 2HB PRO 56 2HB PRO 56 -3.744 -20.467 -11.719 436 1HG PRO 56 1HG PRO 56 -1.083 -19.073 -11.833 437 2HG PRO 56 2HG PRO 56 -2.160 -19.523 -13.172 438 1HD PRO 56 1HD PRO 56 -2.081 -17.015 -12.055 439 2HD PRO 56 2HD PRO 56 -3.520 -17.694 -12.844 440 H LEU 57 H LEU 57 -2.142 -17.130 -9.050 441 HA LEU 57 HA LEU 57 -0.611 -18.584 -7.044 442 1HB LEU 57 1HB LEU 57 1.488 -17.371 -7.688 443 2HB LEU 57 2HB LEU 57 0.964 -18.592 -8.826 444 HG LEU 57 HG LEU 57 -0.065 -16.654 -10.176 445 1HD1 LEU 57 1HD1 LEU 57 1.018 -14.471 -9.881 446 2HD1 LEU 57 2HD1 LEU 57 1.794 -15.059 -8.411 447 3HD1 LEU 57 3HD1 LEU 57 0.038 -14.915 -8.484 448 1HD2 LEU 57 1HD2 LEU 57 2.069 -16.188 -11.278 449 2HD2 LEU 57 2HD2 LEU 57 1.904 -17.898 -10.887 450 3HD2 LEU 57 3HD2 LEU 57 2.934 -16.864 -9.897 451 HA PRO 58 HA PRO 58 -1.403 -14.972 -4.565 452 1HB PRO 58 1HB PRO 58 0.908 -14.746 -3.109 453 2HB PRO 58 2HB PRO 58 -0.341 -15.952 -2.776 454 1HG PRO 58 1HG PRO 58 2.233 -16.257 -4.282 455 2HG PRO 58 2HG PRO 58 1.492 -17.349 -3.097 456 1HD PRO 58 1HD PRO 58 1.323 -17.794 -5.755 457 2HD PRO 58 2HD PRO 58 0.009 -18.230 -4.642 458 H ILE 59 H ILE 59 -1.522 -13.171 -5.769 459 HA ILE 59 HA ILE 59 0.805 -12.160 -7.206 460 HB ILE 59 HB ILE 59 -1.246 -12.277 -8.463 461 1HG1 ILE 59 1HG1 ILE 59 -0.626 -9.384 -7.776 462 2HG1 ILE 59 2HG1 ILE 59 0.221 -10.363 -8.968 463 1HG2 ILE 59 1HG2 ILE 59 -2.827 -12.215 -6.616 464 2HG2 ILE 59 2HG2 ILE 59 -3.259 -11.027 -7.844 465 3HG2 ILE 59 3HG2 ILE 59 -2.478 -10.506 -6.352 466 1HD1 ILE 59 1HD1 ILE 59 -1.824 -10.512 -10.295 467 2HD1 ILE 59 2HD1 ILE 59 -1.332 -8.839 -10.027 468 3HD1 ILE 59 3HD1 ILE 59 -2.667 -9.523 -9.100 469 H THR 60 H THR 60 1.669 -10.097 -6.947 470 HA THR 60 HA THR 60 1.016 -8.758 -4.396 471 HB THR 60 HB THR 60 3.611 -8.560 -5.953 472 HG1 THR 60 HG1 THR 60 3.122 -10.712 -5.082 473 1HG2 THR 60 1HG2 THR 60 2.897 -7.794 -3.111 474 2HG2 THR 60 2HG2 THR 60 3.180 -6.675 -4.445 475 3HG2 THR 60 3HG2 THR 60 4.500 -7.673 -3.836 476 H VAL 61 H VAL 61 0.377 -6.663 -4.441 477 HA VAL 61 HA VAL 61 0.728 -5.075 -6.884 478 HB VAL 61 HB VAL 61 -1.643 -4.268 -6.726 479 1HG1 VAL 61 1HG1 VAL 61 -1.336 -7.223 -7.283 480 2HG1 VAL 61 2HG1 VAL 61 -0.996 -5.913 -8.416 481 3HG1 VAL 61 3HG1 VAL 61 -2.647 -6.189 -7.858 482 1HG2 VAL 61 1HG2 VAL 61 -1.963 -6.616 -4.843 483 2HG2 VAL 61 2HG2 VAL 61 -3.282 -5.652 -5.512 484 3HG2 VAL 61 3HG2 VAL 61 -2.114 -4.908 -4.421 485 H GLU 62 H GLU 62 -0.254 -2.766 -6.396 486 HA GLU 62 HA GLU 62 1.079 -1.839 -3.990 487 1HB GLU 62 1HB GLU 62 1.426 -0.617 -6.082 488 2HB GLU 62 2HB GLU 62 -0.304 -0.320 -6.219 489 1HG GLU 62 1HG GLU 62 -0.261 1.066 -4.233 490 2HG GLU 62 2HG GLU 62 1.445 0.702 -3.981 491 H ALA 63 H ALA 63 0.039 -1.673 -2.135 492 HA ALA 63 HA ALA 63 -2.782 -1.944 -1.883 493 1HB ALA 63 1HB ALA 63 -1.253 -2.734 -0.150 494 2HB ALA 63 2HB ALA 63 -2.389 -1.562 0.513 495 3HB ALA 63 3HB ALA 63 -0.730 -1.080 0.163 496 H ARG 64 H ARG 64 -4.104 -0.342 -2.585 497 HA ARG 64 HA ARG 64 -3.419 2.435 -1.972 498 1HB ARG 64 1HB ARG 64 -4.511 1.486 -4.211 499 2HB ARG 64 2HB ARG 64 -5.998 1.687 -3.300 500 1HG ARG 64 1HG ARG 64 -3.993 3.895 -3.734 501 2HG ARG 64 2HG ARG 64 -5.384 3.610 -4.777 502 1HD ARG 64 1HD ARG 64 -5.633 4.092 -1.808 503 2HD ARG 64 2HD ARG 64 -5.657 5.393 -2.997 504 HE ARG 64 HE ARG 64 -7.550 3.601 -3.854 505 1HH1 ARG 64 1HH1 ARG 64 -7.018 5.415 -0.908 506 2HH1 ARG 64 2HH1 ARG 64 -8.709 5.624 -0.586 507 1HH2 ARG 64 1HH2 ARG 64 -9.776 3.880 -3.430 508 2HH2 ARG 64 2HH2 ARG 64 -10.277 4.748 -2.013 509 H LYS 65 H LYS 65 -3.758 2.857 0.087 510 HA LYS 65 HA LYS 65 -5.730 1.568 1.703 511 1HB LYS 65 1HB LYS 65 -3.686 2.188 2.749 512 2HB LYS 65 2HB LYS 65 -3.788 3.835 2.147 513 1HG LYS 65 1HG LYS 65 -5.687 4.262 3.641 514 2HG LYS 65 2HG LYS 65 -5.570 2.608 4.252 515 1HD LYS 65 1HD LYS 65 -3.405 3.031 5.189 516 2HD LYS 65 2HD LYS 65 -3.299 4.597 4.382 517 1HE LYS 65 1HE LYS 65 -5.317 3.879 6.510 518 2HE LYS 65 2HE LYS 65 -3.830 4.782 6.790 519 1HZ LYS 65 1HZ LYS 65 -4.646 6.477 5.240 520 2HZ LYS 65 2HZ LYS 65 -5.675 6.283 6.565 521 3HZ LYS 65 3HZ LYS 65 -6.098 5.628 5.067 522 H LEU 66 H LEU 66 -7.762 2.170 2.107 523 HA LEU 66 HA LEU 66 -8.793 4.646 0.991 524 1HB LEU 66 1HB LEU 66 -10.179 2.369 2.433 525 2HB LEU 66 2HB LEU 66 -11.003 3.788 1.817 526 HG LEU 66 HG LEU 66 -10.191 3.138 -0.497 527 1HD1 LEU 66 1HD1 LEU 66 -9.489 0.553 0.892 528 2HD1 LEU 66 2HD1 LEU 66 -8.352 1.682 0.153 529 3HD1 LEU 66 3HD1 LEU 66 -9.516 0.819 -0.851 530 1HD2 LEU 66 1HD2 LEU 66 -12.484 2.732 0.231 531 2HD2 LEU 66 2HD2 LEU 66 -12.000 1.192 0.941 532 3HD2 LEU 66 3HD2 LEU 66 -11.911 1.424 -0.804 Start of MODEL 7 1 H MET 1 H MET 1 4.926 0.150 -2.603 2 HA MET 1 HA MET 1 4.059 -0.031 -0.367 3 1HB MET 1 1HB MET 1 1.449 0.750 -1.704 4 2HB MET 1 2HB MET 1 1.582 0.121 -0.066 5 1HG MET 1 1HG MET 1 2.958 2.059 0.555 6 2HG MET 1 2HG MET 1 2.779 2.695 -1.080 7 1HE MET 1 1HE MET 1 1.893 5.006 -0.019 8 2HE MET 1 2HE MET 1 2.080 4.313 1.593 9 3HE MET 1 3HE MET 1 0.563 5.088 1.135 10 H LYS 2 H LYS 2 3.981 -2.148 0.060 11 HA LYS 2 HA LYS 2 3.323 -3.935 -2.177 12 1HB LYS 2 1HB LYS 2 5.610 -4.095 -1.389 13 2HB LYS 2 2HB LYS 2 5.068 -4.313 0.269 14 1HG LYS 2 1HG LYS 2 4.046 -6.463 -0.360 15 2HG LYS 2 2HG LYS 2 4.633 -6.243 -2.010 16 1HD LYS 2 1HD LYS 2 6.945 -6.234 -1.183 17 2HD LYS 2 2HD LYS 2 6.356 -6.453 0.467 18 1HE LYS 2 1HE LYS 2 5.380 -8.609 -0.164 19 2HE LYS 2 2HE LYS 2 5.938 -8.383 -1.822 20 1HZ LYS 2 1HZ LYS 2 7.688 -8.586 0.569 21 2HZ LYS 2 2HZ LYS 2 8.212 -8.398 -1.027 22 3HZ LYS 2 3HZ LYS 2 7.418 -9.817 -0.560 23 H VAL 3 H VAL 3 1.454 -5.003 -2.066 24 HA VAL 3 HA VAL 3 0.712 -6.195 0.507 25 HB VAL 3 HB VAL 3 -0.728 -4.194 0.154 26 1HG1 VAL 3 1HG1 VAL 3 -0.827 -4.178 -2.281 27 2HG1 VAL 3 2HG1 VAL 3 -2.449 -4.213 -1.589 28 3HG1 VAL 3 3HG1 VAL 3 -1.749 -5.683 -2.268 29 1HG2 VAL 3 1HG2 VAL 3 -1.523 -6.069 1.475 30 2HG2 VAL 3 2HG2 VAL 3 -2.166 -6.845 0.024 31 3HG2 VAL 3 3HG2 VAL 3 -2.855 -5.322 0.592 32 H MET 4 H MET 4 0.232 -8.308 0.339 33 HA MET 4 HA MET 4 0.370 -9.466 -2.360 34 1HB MET 4 1HB MET 4 2.092 -10.199 -0.779 35 2HB MET 4 2HB MET 4 0.855 -10.723 0.355 36 1HG MET 4 1HG MET 4 0.099 -12.410 -1.249 37 2HG MET 4 2HG MET 4 1.339 -11.885 -2.387 38 1HE MET 4 1HE MET 4 3.954 -12.179 -1.969 39 2HE MET 4 2HE MET 4 4.634 -12.855 -0.488 40 3HE MET 4 3HE MET 4 3.803 -11.300 -0.446 41 H ILE 5 H ILE 5 -1.514 -9.992 -3.229 42 HA ILE 5 HA ILE 5 -3.773 -10.775 -1.528 43 HB ILE 5 HB ILE 5 -3.716 -10.301 -4.523 44 1HG1 ILE 5 1HG1 ILE 5 -3.196 -8.234 -3.303 45 2HG1 ILE 5 2HG1 ILE 5 -4.791 -8.140 -4.038 46 1HG2 ILE 5 1HG2 ILE 5 -6.168 -10.200 -4.323 47 2HG2 ILE 5 2HG2 ILE 5 -6.039 -10.604 -2.611 48 3HG2 ILE 5 3HG2 ILE 5 -5.533 -11.771 -3.833 49 1HD1 ILE 5 1HD1 ILE 5 -4.216 -8.705 -1.137 50 2HD1 ILE 5 2HD1 ILE 5 -5.816 -8.611 -1.873 51 3HD1 ILE 5 3HD1 ILE 5 -4.788 -7.180 -1.814 52 H ARG 6 H ARG 6 -4.028 -12.879 -1.137 53 HA ARG 6 HA ARG 6 -2.801 -14.827 -2.948 54 1HB ARG 6 1HB ARG 6 -3.788 -15.073 -0.099 55 2HB ARG 6 2HB ARG 6 -3.233 -16.443 -1.056 56 1HG ARG 6 1HG ARG 6 -1.039 -15.351 -1.312 57 2HG ARG 6 2HG ARG 6 -1.600 -14.022 -0.297 58 1HD ARG 6 1HD ARG 6 -1.891 -15.548 1.577 59 2HD ARG 6 2HD ARG 6 -1.419 -16.913 0.561 60 HE ARG 6 HE ARG 6 0.799 -15.858 0.385 61 1HH1 ARG 6 1HH1 ARG 6 -1.286 -14.971 3.035 62 2HH1 ARG 6 2HH1 ARG 6 0.008 -14.391 4.034 63 1HH2 ARG 6 1HH2 ARG 6 2.519 -15.112 1.693 64 2HH2 ARG 6 2HH2 ARG 6 2.181 -14.465 3.267 65 H LYS 7 H LYS 7 -3.933 -16.031 -4.241 66 HA LYS 7 HA LYS 7 -6.857 -16.224 -3.893 67 1HB LYS 7 1HB LYS 7 -5.165 -15.596 -6.271 68 2HB LYS 7 2HB LYS 7 -6.576 -16.603 -6.546 69 1HG LYS 7 1HG LYS 7 -6.799 -13.983 -5.096 70 2HG LYS 7 2HG LYS 7 -6.802 -14.062 -6.860 71 1HD LYS 7 1HD LYS 7 -8.714 -15.548 -5.044 72 2HD LYS 7 2HD LYS 7 -9.087 -14.052 -5.904 73 1HE LYS 7 1HE LYS 7 -8.695 -15.192 -8.046 74 2HE LYS 7 2HE LYS 7 -8.327 -16.686 -7.186 75 1HZ LYS 7 1HZ LYS 7 -10.566 -16.777 -6.378 76 2HZ LYS 7 2HZ LYS 7 -10.612 -16.592 -8.054 77 3HZ LYS 7 3HZ LYS 7 -10.937 -15.272 -7.051 78 H THR 8 H THR 8 -7.353 -18.242 -3.299 79 HA THR 8 HA THR 8 -6.191 -20.444 -4.868 80 HB THR 8 HB THR 8 -5.026 -20.375 -2.679 81 HG1 THR 8 HG1 THR 8 -5.783 -22.641 -2.073 82 1HG2 THR 8 1HG2 THR 8 -6.237 -20.970 -0.629 83 2HG2 THR 8 2HG2 THR 8 -7.762 -20.909 -1.512 84 3HG2 THR 8 3HG2 THR 8 -6.810 -19.440 -1.295 85 H ALA 9 H ALA 9 -7.640 -22.519 -3.654 86 HA ALA 9 HA ALA 9 -9.885 -22.594 -5.207 87 1HB ALA 9 1HB ALA 9 -8.882 -24.555 -4.146 88 2HB ALA 9 2HB ALA 9 -10.622 -24.489 -3.866 89 3HB ALA 9 3HB ALA 9 -9.505 -24.029 -2.580 90 H THR 10 H THR 10 -10.251 -22.445 -1.664 91 HA THR 10 HA THR 10 -12.649 -20.772 -2.067 92 HB THR 10 HB THR 10 -13.344 -21.663 0.205 93 HG1 THR 10 HG1 THR 10 -11.571 -22.554 1.102 94 1HG2 THR 10 1HG2 THR 10 -12.988 -23.702 -2.004 95 2HG2 THR 10 2HG2 THR 10 -14.311 -22.543 -1.875 96 3HG2 THR 10 3HG2 THR 10 -14.132 -23.817 -0.668 97 H GLY 11 H GLY 11 -9.621 -21.115 -0.389 98 1HA GLY 11 1HA GLY 11 -10.043 -19.059 1.539 99 2HA GLY 11 2HA GLY 11 -8.497 -19.761 1.086 100 H HIS 12 H HIS 12 -9.649 -16.932 1.471 101 HA HIS 12 HA HIS 12 -8.100 -15.793 -0.748 102 1HB HIS 12 1HB HIS 12 -10.788 -14.687 0.151 103 2HB HIS 12 2HB HIS 12 -9.753 -14.019 -1.105 104 HD1 HIS 12 HD1 HIS 12 -12.156 -16.814 -0.429 105 HD2 HIS 12 HD2 HIS 12 -9.925 -15.290 -3.590 106 HE1 HIS 12 HE1 HIS 12 -13.065 -17.918 -2.491 107 HE2 HIS 12 HE2 HIS 12 -11.764 -16.924 -4.398 108 H SER 13 H SER 13 -6.561 -14.505 0.161 109 HA SER 13 HA SER 13 -7.205 -13.072 2.636 110 1HB SER 13 1HB SER 13 -4.987 -13.791 3.597 111 2HB SER 13 2HB SER 13 -6.173 -15.087 3.453 112 HG SER 13 HG SER 13 -4.188 -15.798 2.678 113 H ALA 14 H ALA 14 -5.718 -11.359 3.146 114 HA ALA 14 HA ALA 14 -4.010 -10.470 0.913 115 1HB ALA 14 1HB ALA 14 -6.155 -9.220 0.889 116 2HB ALA 14 2HB ALA 14 -4.760 -8.186 1.198 117 3HB ALA 14 3HB ALA 14 -5.817 -8.662 2.527 118 H TYR 15 H TYR 15 -2.081 -9.612 1.517 119 HA TYR 15 HA TYR 15 -1.499 -9.537 4.408 120 1HB TYR 15 1HB TYR 15 -0.434 -11.469 3.442 121 2HB TYR 15 2HB TYR 15 0.217 -10.515 2.114 122 HD1 TYR 15 HD1 TYR 15 2.496 -10.137 2.236 123 HD2 TYR 15 HD2 TYR 15 0.281 -10.362 5.869 124 HE1 TYR 15 HE1 TYR 15 4.563 -9.769 3.515 125 HE2 TYR 15 HE2 TYR 15 2.345 -9.997 7.154 126 HH TYR 15 HH TYR 15 4.683 -10.122 6.969 127 H VAL 16 H VAL 16 -1.495 -7.425 4.875 128 HA VAL 16 HA VAL 16 -0.236 -5.433 3.211 129 HB VAL 16 HB VAL 16 -1.216 -5.211 6.075 130 1HG1 VAL 16 1HG1 VAL 16 -1.246 -2.787 5.665 131 2HG1 VAL 16 2HG1 VAL 16 -0.535 -3.051 4.071 132 3HG1 VAL 16 3HG1 VAL 16 0.380 -3.457 5.524 133 1HG2 VAL 16 1HG2 VAL 16 -3.039 -5.832 4.585 134 2HG2 VAL 16 2HG2 VAL 16 -2.620 -4.515 3.488 135 3HG2 VAL 16 3HG2 VAL 16 -3.224 -4.157 5.105 136 H ALA 17 H ALA 17 1.900 -5.751 2.996 137 HA ALA 17 HA ALA 17 3.562 -7.095 4.769 138 1HB ALA 17 1HB ALA 17 4.367 -5.105 2.648 139 2HB ALA 17 2HB ALA 17 4.034 -6.816 2.382 140 3HB ALA 17 3HB ALA 17 5.405 -6.330 3.378 141 H LYS 18 H LYS 18 2.954 -3.611 4.499 142 HA LYS 18 HA LYS 18 5.254 -2.855 5.990 143 1HB LYS 18 1HB LYS 18 4.413 -0.604 5.890 144 2HB LYS 18 2HB LYS 18 4.138 -1.377 4.341 145 1HG LYS 18 1HG LYS 18 2.136 -0.319 4.598 146 2HG LYS 18 2HG LYS 18 1.750 -1.852 5.376 147 1HD LYS 18 1HD LYS 18 0.942 0.001 6.733 148 2HD LYS 18 2HD LYS 18 2.243 -0.839 7.578 149 1HE LYS 18 1HE LYS 18 3.825 0.905 6.761 150 2HE LYS 18 2HE LYS 18 2.455 1.767 6.061 151 1HZ LYS 18 1HZ LYS 18 1.503 1.920 8.304 152 2HZ LYS 18 2HZ LYS 18 3.001 2.690 8.196 153 3HZ LYS 18 3HZ LYS 18 2.882 1.178 8.939 154 H LYS 19 H LYS 19 2.334 -4.192 7.010 155 HA LYS 19 HA LYS 19 2.857 -3.316 9.773 156 1HB LYS 19 1HB LYS 19 0.993 -1.972 8.927 157 2HB LYS 19 2HB LYS 19 0.141 -3.426 8.429 158 1HG LYS 19 1HG LYS 19 -0.166 -4.098 10.725 159 2HG LYS 19 2HG LYS 19 0.832 -2.758 11.291 160 1HD LYS 19 1HD LYS 19 -1.730 -2.373 9.734 161 2HD LYS 19 2HD LYS 19 -1.670 -2.436 11.496 162 1HE LYS 19 1HE LYS 19 -0.114 -0.522 11.493 163 2HE LYS 19 2HE LYS 19 -0.228 -0.447 9.735 164 1HZ LYS 19 1HZ LYS 19 -2.517 0.122 9.884 165 2HZ LYS 19 2HZ LYS 19 -1.679 1.148 10.928 166 3HZ LYS 19 3HZ LYS 19 -2.558 -0.153 11.552 167 H ASP 20 H ASP 20 2.765 -5.833 7.728 168 HA ASP 20 HA ASP 20 2.541 -8.088 7.878 169 1HB ASP 20 1HB ASP 20 2.811 -7.491 10.836 170 2HB ASP 20 2HB ASP 20 2.800 -9.118 10.169 171 H LEU 21 H LEU 21 0.149 -6.328 7.993 172 HA LEU 21 HA LEU 21 -1.758 -7.735 9.661 173 1HB LEU 21 1HB LEU 21 -2.023 -5.334 9.377 174 2HB LEU 21 2HB LEU 21 -2.107 -5.516 7.634 175 HG LEU 21 HG LEU 21 -4.216 -6.889 7.990 176 1HD1 LEU 21 1HD1 LEU 21 -4.017 -5.737 10.771 177 2HD1 LEU 21 2HD1 LEU 21 -3.902 -7.443 10.333 178 3HD1 LEU 21 3HD1 LEU 21 -5.418 -6.573 10.096 179 1HD2 LEU 21 1HD2 LEU 21 -5.646 -4.931 8.240 180 2HD2 LEU 21 2HD2 LEU 21 -4.271 -4.575 7.198 181 3HD2 LEU 21 3HD2 LEU 21 -4.285 -4.000 8.865 182 H GLU 22 H GLU 22 -2.341 -9.706 9.001 183 HA GLU 22 HA GLU 22 -3.082 -10.057 6.168 184 1HB GLU 22 1HB GLU 22 -1.010 -11.303 6.893 185 2HB GLU 22 2HB GLU 22 -2.018 -12.213 8.013 186 1HG GLU 22 1HG GLU 22 -3.282 -13.152 6.188 187 2HG GLU 22 2HG GLU 22 -2.423 -12.141 5.025 188 H GLU 23 H GLU 23 -5.141 -10.643 5.828 189 HA GLU 23 HA GLU 23 -6.691 -11.923 7.941 190 1HB GLU 23 1HB GLU 23 -6.814 -9.423 8.306 191 2HB GLU 23 2HB GLU 23 -7.589 -9.298 6.735 192 1HG GLU 23 1HG GLU 23 -9.191 -9.246 8.586 193 2HG GLU 23 2HG GLU 23 -9.464 -10.594 7.485 194 H LEU 24 H LEU 24 -8.863 -12.544 7.185 195 HA LEU 24 HA LEU 24 -8.733 -13.625 4.521 196 1HB LEU 24 1HB LEU 24 -10.957 -13.702 6.572 197 2HB LEU 24 2HB LEU 24 -10.918 -14.634 5.085 198 HG LEU 24 HG LEU 24 -8.995 -14.923 7.402 199 1HD1 LEU 24 1HD1 LEU 24 -11.222 -15.777 7.912 200 2HD1 LEU 24 2HD1 LEU 24 -10.066 -17.096 7.734 201 3HD1 LEU 24 3HD1 LEU 24 -11.203 -16.740 6.434 202 1HD2 LEU 24 1HD2 LEU 24 -9.188 -16.481 4.819 203 2HD2 LEU 24 2HD2 LEU 24 -8.141 -16.878 6.183 204 3HD2 LEU 24 3HD2 LEU 24 -7.885 -15.384 5.282 205 H ILE 25 H ILE 25 -9.849 -13.006 2.756 206 HA ILE 25 HA ILE 25 -11.129 -10.416 2.716 207 HB ILE 25 HB ILE 25 -10.708 -12.483 0.541 208 1HG1 ILE 25 1HG1 ILE 25 -9.271 -9.866 1.082 209 2HG1 ILE 25 2HG1 ILE 25 -8.627 -11.469 1.423 210 1HG2 ILE 25 1HG2 ILE 25 -11.294 -10.682 -1.041 211 2HG2 ILE 25 2HG2 ILE 25 -11.743 -9.657 0.323 212 3HG2 ILE 25 3HG2 ILE 25 -12.642 -11.138 0.000 213 1HD1 ILE 25 1HD1 ILE 25 -9.297 -10.373 -1.303 214 2HD1 ILE 25 2HD1 ILE 25 -8.659 -11.984 -0.967 215 3HD1 ILE 25 3HD1 ILE 25 -7.684 -10.558 -0.613 216 H VAL 26 H VAL 26 -13.145 -10.357 3.570 217 HA VAL 26 HA VAL 26 -14.937 -12.638 3.182 218 HB VAL 26 HB VAL 26 -16.415 -11.498 4.831 219 1HG1 VAL 26 1HG1 VAL 26 -13.565 -11.948 5.735 220 2HG1 VAL 26 2HG1 VAL 26 -14.812 -13.184 5.559 221 3HG1 VAL 26 3HG1 VAL 26 -14.987 -11.924 6.780 222 1HG2 VAL 26 1HG2 VAL 26 -15.760 -9.180 4.428 223 2HG2 VAL 26 2HG2 VAL 26 -14.138 -9.513 5.038 224 3HG2 VAL 26 3HG2 VAL 26 -15.526 -9.599 6.125 225 H GLU 27 H GLU 27 -14.692 -9.213 2.379 226 HA GLU 27 HA GLU 27 -17.086 -9.501 0.677 227 1HB GLU 27 1HB GLU 27 -17.561 -8.185 2.750 228 2HB GLU 27 2HB GLU 27 -16.330 -7.034 2.264 229 1HG GLU 27 1HG GLU 27 -17.628 -6.538 0.225 230 2HG GLU 27 2HG GLU 27 -18.884 -7.644 0.785 231 H MET 28 H MET 28 -16.859 -8.791 -1.366 232 HA MET 28 HA MET 28 -14.423 -7.263 -2.059 233 1HB MET 28 1HB MET 28 -15.779 -9.221 -3.918 234 2HB MET 28 2HB MET 28 -14.176 -8.517 -4.063 235 1HG MET 28 1HG MET 28 -13.904 -10.791 -3.463 236 2HG MET 28 2HG MET 28 -13.512 -9.833 -2.037 237 1HE MET 28 1HE MET 28 -15.199 -13.174 -0.675 238 2HE MET 28 2HE MET 28 -13.732 -12.196 -0.656 239 3HE MET 28 3HE MET 28 -14.221 -13.023 -2.135 240 H GLU 29 H GLU 29 -14.653 -5.904 -3.979 241 HA GLU 29 HA GLU 29 -17.115 -4.508 -4.158 242 1HB GLU 29 1HB GLU 29 -14.948 -3.474 -4.693 243 2HB GLU 29 2HB GLU 29 -14.761 -4.549 -6.069 244 1HG GLU 29 1HG GLU 29 -15.455 -2.380 -6.835 245 2HG GLU 29 2HG GLU 29 -16.762 -3.533 -7.101 246 H ASN 30 H ASN 30 -15.491 -6.776 -6.359 247 HA ASN 30 HA ASN 30 -18.086 -7.384 -7.615 248 1HB ASN 30 1HB ASN 30 -15.248 -7.857 -8.580 249 2HB ASN 30 2HB ASN 30 -16.667 -8.523 -9.383 250 1HD2 ASN 30 1HD2 ASN 30 -17.990 -7.174 -10.582 251 2HD2 ASN 30 2HD2 ASN 30 -17.548 -5.552 -10.981 252 HA PRO 31 HA PRO 31 -18.468 -11.069 -5.316 253 1HB PRO 31 1HB PRO 31 -19.404 -12.810 -7.285 254 2HB PRO 31 2HB PRO 31 -20.396 -11.680 -6.359 255 1HG PRO 31 1HG PRO 31 -19.229 -11.375 -9.099 256 2HG PRO 31 2HG PRO 31 -20.827 -10.891 -8.497 257 1HD PRO 31 1HD PRO 31 -18.888 -9.086 -8.842 258 2HD PRO 31 2HD PRO 31 -19.990 -8.981 -7.451 259 H ALA 32 H ALA 32 -16.547 -11.145 -8.234 260 HA ALA 32 HA ALA 32 -15.377 -13.700 -7.856 261 1HB ALA 32 1HB ALA 32 -14.272 -11.291 -9.303 262 2HB ALA 32 2HB ALA 32 -15.283 -12.552 -10.007 263 3HB ALA 32 3HB ALA 32 -13.662 -12.941 -9.431 264 H LEU 33 H LEU 33 -13.748 -10.544 -7.504 265 HA LEU 33 HA LEU 33 -12.820 -10.860 -4.896 266 1HB LEU 33 1HB LEU 33 -11.625 -12.800 -6.195 267 2HB LEU 33 2HB LEU 33 -10.606 -11.528 -6.834 268 HG LEU 33 HG LEU 33 -9.602 -12.734 -4.909 269 1HD1 LEU 33 1HD1 LEU 33 -8.898 -10.450 -5.400 270 2HD1 LEU 33 2HD1 LEU 33 -8.852 -10.783 -3.669 271 3HD1 LEU 33 3HD1 LEU 33 -10.169 -9.827 -4.348 272 1HD2 LEU 33 1HD2 LEU 33 -11.645 -13.209 -3.666 273 2HD2 LEU 33 2HD2 LEU 33 -11.845 -11.493 -3.316 274 3HD2 LEU 33 3HD2 LEU 33 -10.467 -12.373 -2.656 275 H TRP 34 H TRP 34 -11.340 -9.965 -8.002 276 HA TRP 34 HA TRP 34 -10.396 -7.441 -6.940 277 1HB TRP 34 1HB TRP 34 -10.209 -8.593 -9.742 278 2HB TRP 34 2HB TRP 34 -9.338 -7.181 -9.149 279 HD1 TRP 34 HD1 TRP 34 -9.507 -11.007 -8.567 280 HE1 TRP 34 HE1 TRP 34 -7.215 -11.783 -7.699 281 HE3 TRP 34 HE3 TRP 34 -7.211 -6.459 -8.114 282 HZ2 TRP 34 HZ2 TRP 34 -4.769 -10.635 -6.929 283 HZ3 TRP 34 HZ3 TRP 34 -4.891 -6.388 -7.304 284 HH2 TRP 34 HH2 TRP 34 -3.695 -8.436 -6.723 285 H GLY 35 H GLY 35 -10.781 -5.406 -8.210 286 1HA GLY 35 1HA GLY 35 -12.619 -4.909 -10.129 287 2HA GLY 35 2HA GLY 35 -13.621 -5.084 -8.696 288 H GLY 36 H GLY 36 -12.795 -3.738 -6.766 289 1HA GLY 36 1HA GLY 36 -11.728 -1.149 -7.613 290 2HA GLY 36 2HA GLY 36 -13.387 -1.174 -7.030 291 H LYS 37 H LYS 37 -13.301 -2.892 -4.940 292 HA LYS 37 HA LYS 37 -11.103 -2.114 -3.200 293 1HB LYS 37 1HB LYS 37 -12.507 -1.226 -1.468 294 2HB LYS 37 2HB LYS 37 -12.881 -0.373 -2.954 295 1HG LYS 37 1HG LYS 37 -15.002 -0.724 -2.240 296 2HG LYS 37 2HG LYS 37 -14.779 -2.253 -3.090 297 1HD LYS 37 1HD LYS 37 -14.189 -3.356 -0.997 298 2HD LYS 37 2HD LYS 37 -14.308 -1.824 -0.133 299 1HE LYS 37 1HE LYS 37 -16.728 -1.739 -0.869 300 2HE LYS 37 2HE LYS 37 -16.531 -3.400 -1.424 301 1HZ LYS 37 1HZ LYS 37 -17.442 -3.456 0.753 302 2HZ LYS 37 2HZ LYS 37 -16.277 -2.389 1.353 303 3HZ LYS 37 3HZ LYS 37 -15.831 -3.953 0.894 304 H VAL 38 H VAL 38 -11.195 -3.285 -1.120 305 HA VAL 38 HA VAL 38 -12.704 -5.786 -1.154 306 HB VAL 38 HB VAL 38 -10.631 -6.387 -2.281 307 1HG1 VAL 38 1HG1 VAL 38 -9.201 -4.575 -1.505 308 2HG1 VAL 38 2HG1 VAL 38 -8.439 -6.135 -1.203 309 3HG1 VAL 38 3HG1 VAL 38 -9.196 -5.254 0.123 310 1HG2 VAL 38 1HG2 VAL 38 -11.579 -8.029 -0.747 311 2HG2 VAL 38 2HG2 VAL 38 -10.631 -7.358 0.580 312 3HG2 VAL 38 3HG2 VAL 38 -9.819 -8.144 -0.776 313 H THR 39 H THR 39 -13.235 -6.467 0.877 314 HA THR 39 HA THR 39 -12.268 -4.813 3.117 315 HB THR 39 HB THR 39 -14.892 -6.311 2.926 316 HG1 THR 39 HG1 THR 39 -15.326 -3.722 3.015 317 1HG2 THR 39 1HG2 THR 39 -14.113 -5.993 5.228 318 2HG2 THR 39 2HG2 THR 39 -15.520 -4.982 4.896 319 3HG2 THR 39 3HG2 THR 39 -13.908 -4.265 4.928 320 H LEU 40 H LEU 40 -10.852 -5.875 4.339 321 HA LEU 40 HA LEU 40 -10.787 -8.730 4.581 322 1HB LEU 40 1HB LEU 40 -9.363 -6.545 6.115 323 2HB LEU 40 2HB LEU 40 -9.118 -8.252 6.422 324 HG LEU 40 HG LEU 40 -7.302 -7.647 5.090 325 1HD1 LEU 40 1HD1 LEU 40 -9.364 -8.770 3.200 326 2HD1 LEU 40 2HD1 LEU 40 -8.333 -9.685 4.300 327 3HD1 LEU 40 3HD1 LEU 40 -7.619 -8.796 2.959 328 1HD2 LEU 40 1HD2 LEU 40 -9.191 -6.139 3.281 329 2HD2 LEU 40 2HD2 LEU 40 -7.459 -6.345 3.016 330 3HD2 LEU 40 3HD2 LEU 40 -8.033 -5.439 4.415 331 H ALA 41 H ALA 41 -11.093 -9.900 6.574 332 HA ALA 41 HA ALA 41 -13.623 -9.397 7.713 333 1HB ALA 41 1HB ALA 41 -12.654 -11.640 7.496 334 2HB ALA 41 2HB ALA 41 -13.157 -11.308 9.153 335 3HB ALA 41 3HB ALA 41 -11.449 -11.238 8.719 336 H ASN 42 H ASN 42 -10.577 -8.141 8.481 337 HA ASN 42 HA ASN 42 -11.041 -7.691 11.297 338 1HB ASN 42 1HB ASN 42 -8.773 -8.124 10.288 339 2HB ASN 42 2HB ASN 42 -8.870 -6.551 9.508 340 1HD2 ASN 42 1HD2 ASN 42 -8.647 -4.692 10.754 341 2HD2 ASN 42 2HD2 ASN 42 -8.039 -4.730 12.368 342 H GLY 43 H GLY 43 -12.423 -6.358 8.690 343 1HA GLY 43 1HA GLY 43 -13.695 -4.435 8.468 344 2HA GLY 43 2HA GLY 43 -13.111 -3.904 10.040 345 H TRP 44 H TRP 44 -11.056 -4.860 7.396 346 HA TRP 44 HA TRP 44 -10.025 -2.101 7.222 347 1HB TRP 44 1HB TRP 44 -8.517 -3.937 8.182 348 2HB TRP 44 2HB TRP 44 -8.505 -4.640 6.571 349 HD1 TRP 44 HD1 TRP 44 -7.329 -3.075 4.601 350 HE1 TRP 44 HE1 TRP 44 -5.364 -1.418 4.801 351 HE3 TRP 44 HE3 TRP 44 -7.428 -2.310 9.653 352 HZ2 TRP 44 HZ2 TRP 44 -4.039 0.019 6.836 353 HZ3 TRP 44 HZ3 TRP 44 -5.778 -0.782 10.649 354 HH2 TRP 44 HH2 TRP 44 -4.119 0.357 9.270 355 H GLN 45 H GLN 45 -10.677 -1.169 5.361 356 HA GLN 45 HA GLN 45 -11.172 -2.884 3.037 357 1HB GLN 45 1HB GLN 45 -12.005 -0.030 3.597 358 2HB GLN 45 2HB GLN 45 -12.306 -0.866 2.078 359 1HG GLN 45 1HG GLN 45 -13.537 -2.617 3.420 360 2HG GLN 45 2HG GLN 45 -13.418 -1.520 4.796 361 1HE2 GLN 45 1HE2 GLN 45 -14.620 0.373 4.799 362 2HE2 GLN 45 2HE2 GLN 45 -15.933 0.631 3.704 363 H LEU 46 H LEU 46 -9.741 -3.039 1.530 364 HA LEU 46 HA LEU 46 -7.717 -0.928 1.146 365 1HB LEU 46 1HB LEU 46 -6.942 -3.234 1.821 366 2HB LEU 46 2HB LEU 46 -7.604 -3.840 0.317 367 HG LEU 46 HG LEU 46 -6.025 -2.256 -0.885 368 1HD1 LEU 46 1HD1 LEU 46 -5.552 -0.746 0.952 369 2HD1 LEU 46 2HD1 LEU 46 -4.062 -1.493 0.377 370 3HD1 LEU 46 3HD1 LEU 46 -4.811 -2.057 1.870 371 1HD2 LEU 46 1HD2 LEU 46 -4.820 -4.441 0.820 372 2HD2 LEU 46 2HD2 LEU 46 -4.098 -3.750 -0.634 373 3HD2 LEU 46 3HD2 LEU 46 -5.608 -4.656 -0.745 374 H GLU 47 H GLU 47 -7.305 -0.239 -1.005 375 HA GLU 47 HA GLU 47 -9.567 -0.540 -2.797 376 1HB GLU 47 1HB GLU 47 -8.432 1.663 -2.355 377 2HB GLU 47 2HB GLU 47 -7.030 1.049 -3.221 378 1HG GLU 47 1HG GLU 47 -8.364 0.808 -5.246 379 2HG GLU 47 2HG GLU 47 -9.792 1.383 -4.383 380 H LEU 48 H LEU 48 -9.646 -2.082 -4.296 381 HA LEU 48 HA LEU 48 -7.148 -3.495 -4.982 382 1HB LEU 48 1HB LEU 48 -9.005 -4.636 -3.585 383 2HB LEU 48 2HB LEU 48 -9.914 -4.689 -5.081 384 HG LEU 48 HG LEU 48 -8.113 -6.037 -6.117 385 1HD1 LEU 48 1HD1 LEU 48 -6.227 -5.236 -4.801 386 2HD1 LEU 48 2HD1 LEU 48 -6.355 -6.992 -4.698 387 3HD1 LEU 48 3HD1 LEU 48 -6.896 -5.989 -3.351 388 1HD2 LEU 48 1HD2 LEU 48 -10.027 -7.142 -5.076 389 2HD2 LEU 48 2HD2 LEU 48 -9.184 -7.163 -3.527 390 3HD2 LEU 48 3HD2 LEU 48 -8.559 -8.100 -4.884 391 HA PRO 49 HA PRO 49 -8.113 -1.894 -9.091 392 1HB PRO 49 1HB PRO 49 -6.070 -3.198 -10.388 393 2HB PRO 49 2HB PRO 49 -5.863 -1.688 -9.495 394 1HG PRO 49 1HG PRO 49 -5.305 -4.500 -8.613 395 2HG PRO 49 2HG PRO 49 -4.329 -3.038 -8.371 396 1HD PRO 49 1HD PRO 49 -5.875 -4.038 -6.409 397 2HD PRO 49 2HD PRO 49 -5.660 -2.287 -6.618 398 H ALA 50 H ALA 50 -8.920 -2.734 -11.072 399 HA ALA 50 HA ALA 50 -10.252 -5.272 -10.795 400 1HB ALA 50 1HB ALA 50 -11.411 -3.363 -11.792 401 2HB ALA 50 2HB ALA 50 -11.324 -4.714 -12.921 402 3HB ALA 50 3HB ALA 50 -10.243 -3.335 -13.113 403 H MET 51 H MET 51 -8.332 -6.606 -10.702 404 HA MET 51 HA MET 51 -6.944 -7.019 -13.259 405 1HB MET 51 1HB MET 51 -6.391 -8.164 -10.505 406 2HB MET 51 2HB MET 51 -5.432 -8.488 -11.943 407 1HG MET 51 1HG MET 51 -5.795 -5.805 -10.620 408 2HG MET 51 2HG MET 51 -4.362 -6.829 -10.530 409 1HE MET 51 1HE MET 51 -3.094 -3.876 -12.752 410 2HE MET 51 2HE MET 51 -2.786 -4.860 -11.322 411 3HE MET 51 3HE MET 51 -4.181 -3.783 -11.367 412 H ALA 52 H ALA 52 -6.313 -9.669 -13.144 413 HA ALA 52 HA ALA 52 -8.494 -10.987 -14.222 414 1HB ALA 52 1HB ALA 52 -7.206 -13.056 -13.935 415 2HB ALA 52 2HB ALA 52 -6.109 -12.221 -12.833 416 3HB ALA 52 3HB ALA 52 -6.190 -11.740 -14.528 417 H ALA 53 H ALA 53 -10.336 -11.586 -13.339 418 HA ALA 53 HA ALA 53 -11.125 -11.370 -10.735 419 1HB ALA 53 1HB ALA 53 -13.038 -12.778 -11.317 420 2HB ALA 53 2HB ALA 53 -12.197 -13.333 -12.766 421 3HB ALA 53 3HB ALA 53 -12.667 -11.640 -12.613 422 H ASP 54 H ASP 54 -9.954 -14.326 -12.325 423 HA ASP 54 HA ASP 54 -9.532 -15.487 -9.648 424 1HB ASP 54 1HB ASP 54 -10.256 -16.850 -12.246 425 2HB ASP 54 2HB ASP 54 -9.579 -17.732 -10.881 426 H THR 55 H THR 55 -7.528 -14.301 -9.663 427 HA THR 55 HA THR 55 -5.408 -14.833 -11.424 428 HB THR 55 HB THR 55 -5.035 -14.291 -8.473 429 HG1 THR 55 HG1 THR 55 -6.150 -12.641 -10.466 430 1HG2 THR 55 1HG2 THR 55 -3.006 -14.624 -9.809 431 2HG2 THR 55 2HG2 THR 55 -3.136 -12.948 -9.277 432 3HG2 THR 55 3HG2 THR 55 -3.534 -13.378 -10.940 433 HA PRO 56 HA PRO 56 -4.919 -19.128 -10.249 434 1HB PRO 56 1HB PRO 56 -2.897 -19.773 -11.917 435 2HB PRO 56 2HB PRO 56 -4.537 -19.464 -12.503 436 1HG PRO 56 1HG PRO 56 -2.160 -17.630 -12.476 437 2HG PRO 56 2HG PRO 56 -3.330 -17.923 -13.777 438 1HD PRO 56 1HD PRO 56 -3.469 -15.769 -12.109 439 2HD PRO 56 2HD PRO 56 -4.900 -16.511 -12.852 440 H LEU 57 H LEU 57 -2.913 -16.673 -9.345 441 HA LEU 57 HA LEU 57 -1.388 -18.378 -7.577 442 1HB LEU 57 1HB LEU 57 0.783 -17.261 -8.249 443 2HB LEU 57 2HB LEU 57 0.139 -18.436 -9.375 444 HG LEU 57 HG LEU 57 -0.817 -16.441 -10.676 445 1HD1 LEU 57 1HD1 LEU 57 0.371 -14.308 -10.401 446 2HD1 LEU 57 2HD1 LEU 57 1.154 -14.941 -8.952 447 3HD1 LEU 57 3HD1 LEU 57 -0.595 -14.720 -8.984 448 1HD2 LEU 57 1HD2 LEU 57 1.290 -16.073 -11.853 449 2HD2 LEU 57 2HD2 LEU 57 1.082 -17.775 -11.442 450 3HD2 LEU 57 3HD2 LEU 57 2.180 -16.768 -10.498 451 HA PRO 58 HA PRO 58 -1.784 -14.847 -4.872 452 1HB PRO 58 1HB PRO 58 0.521 -15.031 -3.403 453 2HB PRO 58 2HB PRO 58 -0.873 -16.090 -3.156 454 1HG PRO 58 1HG PRO 58 1.648 -16.612 -4.693 455 2HG PRO 58 2HG PRO 58 0.777 -17.679 -3.575 456 1HD PRO 58 1HD PRO 58 0.552 -17.927 -6.254 457 2HD PRO 58 2HD PRO 58 -0.810 -18.260 -5.163 458 H ILE 59 H ILE 59 -1.604 -12.908 -5.854 459 HA ILE 59 HA ILE 59 0.983 -12.161 -7.050 460 HB ILE 59 HB ILE 59 -0.835 -12.207 -8.653 461 1HG1 ILE 59 1HG1 ILE 59 -0.063 -9.354 -7.962 462 2HG1 ILE 59 2HG1 ILE 59 0.886 -10.468 -8.940 463 1HG2 ILE 59 1HG2 ILE 59 -2.240 -10.218 -6.872 464 2HG2 ILE 59 2HG2 ILE 59 -2.705 -11.899 -7.128 465 3HG2 ILE 59 3HG2 ILE 59 -2.788 -10.749 -8.462 466 1HD1 ILE 59 1HD1 ILE 59 -0.291 -8.870 -10.325 467 2HD1 ILE 59 2HD1 ILE 59 -1.832 -9.376 -9.637 468 3HD1 ILE 59 3HD1 ILE 59 -0.892 -10.501 -10.617 469 H THR 60 H THR 60 2.047 -10.374 -6.408 470 HA THR 60 HA THR 60 0.993 -8.893 -4.119 471 HB THR 60 HB THR 60 3.765 -8.889 -5.349 472 HG1 THR 60 HG1 THR 60 3.797 -10.745 -4.295 473 1HG2 THR 60 1HG2 THR 60 4.442 -7.750 -3.271 474 2HG2 THR 60 2HG2 THR 60 2.752 -7.669 -2.771 475 3HG2 THR 60 3HG2 THR 60 3.294 -6.785 -4.200 476 H VAL 61 H VAL 61 0.028 -6.997 -4.440 477 HA VAL 61 HA VAL 61 0.692 -5.433 -6.855 478 HB VAL 61 HB VAL 61 -1.647 -4.617 -6.875 479 1HG1 VAL 61 1HG1 VAL 61 -1.007 -6.478 -8.318 480 2HG1 VAL 61 2HG1 VAL 61 -2.675 -6.654 -7.772 481 3HG1 VAL 61 3HG1 VAL 61 -1.399 -7.626 -7.035 482 1HG2 VAL 61 1HG2 VAL 61 -2.208 -4.943 -4.521 483 2HG2 VAL 61 2HG2 VAL 61 -2.105 -6.693 -4.719 484 3HG2 VAL 61 3HG2 VAL 61 -3.368 -5.784 -5.551 485 H GLU 62 H GLU 62 -0.284 -3.108 -6.532 486 HA GLU 62 HA GLU 62 1.083 -1.946 -4.294 487 1HB GLU 62 1HB GLU 62 -0.641 -0.730 -6.468 488 2HB GLU 62 2HB GLU 62 0.183 0.214 -5.236 489 1HG GLU 62 1HG GLU 62 1.435 0.236 -7.307 490 2HG GLU 62 2HG GLU 62 2.342 -0.596 -6.047 491 H ALA 63 H ALA 63 0.147 -0.695 -2.638 492 HA ALA 63 HA ALA 63 -2.555 -1.602 -1.910 493 1HB ALA 63 1HB ALA 63 -1.918 -1.145 0.404 494 2HB ALA 63 2HB ALA 63 -0.347 -0.548 -0.134 495 3HB ALA 63 3HB ALA 63 -0.771 -2.246 -0.359 496 H ARG 64 H ARG 64 -3.997 -0.160 -0.893 497 HA ARG 64 HA ARG 64 -3.435 2.635 -0.612 498 1HB ARG 64 1HB ARG 64 -3.931 2.502 -3.047 499 2HB ARG 64 2HB ARG 64 -5.486 1.772 -2.675 500 1HG ARG 64 1HG ARG 64 -6.070 3.971 -3.036 501 2HG ARG 64 2HG ARG 64 -5.887 3.935 -1.283 502 1HD ARG 64 1HD ARG 64 -3.969 5.037 -3.333 503 2HD ARG 64 2HD ARG 64 -4.817 5.914 -2.063 504 HE ARG 64 HE ARG 64 -2.479 4.165 -1.731 505 1HH1 ARG 64 1HH1 ARG 64 -4.797 6.364 -0.288 506 2HH1 ARG 64 2HH1 ARG 64 -3.790 6.724 1.080 507 1HH2 ARG 64 1HH2 ARG 64 -1.165 4.627 0.070 508 2HH2 ARG 64 2HH2 ARG 64 -1.726 5.726 1.293 509 H LYS 65 H LYS 65 -4.237 2.766 1.414 510 HA LYS 65 HA LYS 65 -6.407 1.127 2.311 511 1HB LYS 65 1HB LYS 65 -4.655 1.696 3.879 512 2HB LYS 65 2HB LYS 65 -4.941 3.417 3.644 513 1HG LYS 65 1HG LYS 65 -7.172 3.178 4.646 514 2HG LYS 65 2HG LYS 65 -6.873 1.458 4.890 515 1HD LYS 65 1HD LYS 65 -5.068 1.941 6.423 516 2HD LYS 65 2HD LYS 65 -5.200 3.670 6.089 517 1HE LYS 65 1HE LYS 65 -6.261 3.075 8.221 518 2HE LYS 65 2HE LYS 65 -7.431 3.712 7.067 519 1HZ LYS 65 1HZ LYS 65 -8.158 1.470 6.599 520 2HZ LYS 65 2HZ LYS 65 -8.268 1.772 8.256 521 3HZ LYS 65 3HZ LYS 65 -7.001 0.833 7.652 522 H LEU 66 H LEU 66 -8.499 1.647 2.696 523 HA LEU 66 HA LEU 66 -9.468 4.223 1.684 524 1HB LEU 66 1HB LEU 66 -11.022 1.743 2.460 525 2HB LEU 66 2HB LEU 66 -11.678 3.174 1.684 526 HG LEU 66 HG LEU 66 -9.719 1.213 0.473 527 1HD1 LEU 66 1HD1 LEU 66 -11.540 0.716 -1.080 528 2HD1 LEU 66 2HD1 LEU 66 -12.596 1.826 -0.206 529 3HD1 LEU 66 3HD1 LEU 66 -11.999 0.367 0.586 530 1HD2 LEU 66 1HD2 LEU 66 -9.210 3.471 -0.286 531 2HD2 LEU 66 2HD2 LEU 66 -10.902 3.725 -0.718 532 3HD2 LEU 66 3HD2 LEU 66 -9.940 2.529 -1.586 Start of MODEL 8 1 H MET 1 H MET 1 4.145 1.706 -0.740 2 HA MET 1 HA MET 1 2.044 0.541 -0.475 3 1HB MET 1 1HB MET 1 1.383 0.584 -2.860 4 2HB MET 1 2HB MET 1 2.340 1.989 -2.417 5 1HG MET 1 1HG MET 1 4.301 1.025 -3.470 6 2HG MET 1 2HG MET 1 3.401 -0.444 -3.847 7 1HE MET 1 1HE MET 1 5.036 1.174 -6.040 8 2HE MET 1 2HE MET 1 3.887 1.177 -7.378 9 3HE MET 1 3HE MET 1 4.100 -0.277 -6.404 10 H LYS 2 H LYS 2 3.374 -1.496 0.490 11 HA LYS 2 HA LYS 2 3.587 -3.670 -1.450 12 1HB LYS 2 1HB LYS 2 5.497 -3.093 0.045 13 2HB LYS 2 2HB LYS 2 4.507 -3.515 1.432 14 1HG LYS 2 1HG LYS 2 5.990 -5.327 0.961 15 2HG LYS 2 2HG LYS 2 4.347 -5.830 0.561 16 1HD LYS 2 1HD LYS 2 4.757 -5.564 -1.781 17 2HD LYS 2 2HD LYS 2 6.315 -4.787 -1.479 18 1HE LYS 2 1HE LYS 2 5.633 -7.641 -0.749 19 2HE LYS 2 2HE LYS 2 6.536 -7.152 -2.183 20 1HZ LYS 2 1HZ LYS 2 7.387 -6.541 0.597 21 2HZ LYS 2 2HZ LYS 2 8.275 -6.287 -0.821 22 3HZ LYS 2 3HZ LYS 2 7.947 -7.863 -0.299 23 H VAL 3 H VAL 3 1.739 -4.784 -1.721 24 HA VAL 3 HA VAL 3 0.644 -6.136 0.620 25 HB VAL 3 HB VAL 3 -0.817 -4.139 0.258 26 1HG1 VAL 3 1HG1 VAL 3 -2.307 -4.061 -1.682 27 2HG1 VAL 3 2HG1 VAL 3 -1.477 -5.453 -2.378 28 3HG1 VAL 3 3HG1 VAL 3 -0.614 -3.931 -2.161 29 1HG2 VAL 3 1HG2 VAL 3 -2.942 -5.357 0.338 30 2HG2 VAL 3 2HG2 VAL 3 -1.704 -6.140 1.319 31 3HG2 VAL 3 3HG2 VAL 3 -2.134 -6.808 -0.255 32 H MET 4 H MET 4 -0.130 -8.175 0.172 33 HA MET 4 HA MET 4 0.127 -9.108 -2.621 34 1HB MET 4 1HB MET 4 2.081 -9.877 -1.447 35 2HB MET 4 2HB MET 4 1.120 -10.424 -0.080 36 1HG MET 4 1HG MET 4 0.127 -12.173 -1.459 37 2HG MET 4 2HG MET 4 1.043 -11.609 -2.855 38 1HE MET 4 1HE MET 4 3.035 -13.395 0.916 39 2HE MET 4 2HE MET 4 1.294 -13.159 0.759 40 3HE MET 4 3HE MET 4 2.369 -11.763 0.856 41 H ILE 5 H ILE 5 -1.584 -10.187 -3.376 42 HA ILE 5 HA ILE 5 -3.747 -10.863 -1.509 43 HB ILE 5 HB ILE 5 -3.826 -10.845 -4.539 44 1HG1 ILE 5 1HG1 ILE 5 -3.324 -8.595 -3.747 45 2HG1 ILE 5 2HG1 ILE 5 -4.991 -8.657 -4.303 46 1HG2 ILE 5 1HG2 ILE 5 -5.557 -12.232 -3.522 47 2HG2 ILE 5 2HG2 ILE 5 -6.270 -10.780 -4.224 48 3HG2 ILE 5 3HG2 ILE 5 -6.042 -10.895 -2.479 49 1HD1 ILE 5 1HD1 ILE 5 -4.079 -8.732 -1.432 50 2HD1 ILE 5 2HD1 ILE 5 -5.754 -8.800 -1.983 51 3HD1 ILE 5 3HD1 ILE 5 -4.789 -7.352 -2.270 52 H ARG 6 H ARG 6 -4.115 -12.909 -0.943 53 HA ARG 6 HA ARG 6 -2.605 -15.033 -2.287 54 1HB ARG 6 1HB ARG 6 -3.750 -14.713 0.473 55 2HB ARG 6 2HB ARG 6 -3.363 -16.314 -0.140 56 1HG ARG 6 1HG ARG 6 -1.343 -14.085 -0.127 57 2HG ARG 6 2HG ARG 6 -1.588 -15.143 1.264 58 1HD ARG 6 1HD ARG 6 -1.057 -17.092 -0.092 59 2HD ARG 6 2HD ARG 6 -0.898 -16.079 -1.525 60 HE ARG 6 HE ARG 6 1.198 -15.445 -0.830 61 1HH1 ARG 6 1HH1 ARG 6 -0.422 -17.087 1.813 62 2HH1 ARG 6 2HH1 ARG 6 1.020 -17.225 2.766 63 1HH2 ARG 6 1HH2 ARG 6 3.087 -15.669 0.400 64 2HH2 ARG 6 2HH2 ARG 6 3.015 -16.417 1.968 65 H LYS 7 H LYS 7 -3.538 -16.591 -3.392 66 HA LYS 7 HA LYS 7 -6.453 -16.702 -3.610 67 1HB LYS 7 1HB LYS 7 -4.177 -17.864 -5.218 68 2HB LYS 7 2HB LYS 7 -5.834 -18.395 -5.460 69 1HG LYS 7 1HG LYS 7 -4.969 -15.518 -5.700 70 2HG LYS 7 2HG LYS 7 -4.997 -16.644 -7.057 71 1HD LYS 7 1HD LYS 7 -7.364 -15.808 -5.367 72 2HD LYS 7 2HD LYS 7 -7.035 -15.316 -7.031 73 1HE LYS 7 1HE LYS 7 -7.604 -18.130 -6.080 74 2HE LYS 7 2HE LYS 7 -8.719 -17.087 -6.961 75 1HZ LYS 7 1HZ LYS 7 -7.467 -17.269 -8.903 76 2HZ LYS 7 2HZ LYS 7 -7.432 -18.832 -8.269 77 3HZ LYS 7 3HZ LYS 7 -6.089 -17.825 -8.099 78 H THR 8 H THR 8 -7.548 -18.123 -2.386 79 HA THR 8 HA THR 8 -6.232 -20.664 -1.669 80 HB THR 8 HB THR 8 -7.731 -20.618 0.391 81 HG1 THR 8 HG1 THR 8 -9.014 -18.804 -0.565 82 1HG2 THR 8 1HG2 THR 8 -6.245 -19.143 1.672 83 2HG2 THR 8 2HG2 THR 8 -5.636 -18.444 0.172 84 3HG2 THR 8 3HG2 THR 8 -5.327 -20.140 0.544 85 H ALA 9 H ALA 9 -7.515 -22.510 -1.762 86 HA ALA 9 HA ALA 9 -9.532 -22.594 -3.710 87 1HB ALA 9 1HB ALA 9 -9.880 -24.909 -3.001 88 2HB ALA 9 2HB ALA 9 -8.940 -24.610 -1.538 89 3HB ALA 9 3HB ALA 9 -8.161 -24.535 -3.119 90 H THR 10 H THR 10 -9.656 -22.373 -0.203 91 HA THR 10 HA THR 10 -12.594 -22.164 -0.333 92 HB THR 10 HB THR 10 -10.921 -22.760 2.124 93 HG1 THR 10 HG1 THR 10 -12.110 -24.449 0.178 94 1HG2 THR 10 1HG2 THR 10 -13.153 -21.827 2.589 95 2HG2 THR 10 2HG2 THR 10 -13.053 -23.519 3.074 96 3HG2 THR 10 3HG2 THR 10 -13.886 -23.077 1.583 97 H GLY 11 H GLY 11 -12.153 -19.910 -1.093 98 1HA GLY 11 1HA GLY 11 -13.099 -17.885 -0.119 99 2HA GLY 11 2HA GLY 11 -12.090 -18.161 1.292 100 H HIS 12 H HIS 12 -11.405 -15.949 0.960 101 HA HIS 12 HA HIS 12 -9.080 -15.834 -0.838 102 1HB HIS 12 1HB HIS 12 -11.099 -13.591 -0.510 103 2HB HIS 12 2HB HIS 12 -9.632 -13.531 -1.480 104 HD1 HIS 12 HD1 HIS 12 -13.167 -14.616 -1.568 105 HD2 HIS 12 HD2 HIS 12 -9.742 -15.110 -3.874 106 HE1 HIS 12 HE1 HIS 12 -13.963 -15.487 -3.787 107 HE2 HIS 12 HE2 HIS 12 -11.859 -15.976 -5.078 108 H SER 13 H SER 13 -7.355 -14.628 -0.009 109 HA SER 13 HA SER 13 -7.736 -13.316 2.593 110 1HB SER 13 1HB SER 13 -5.528 -15.302 1.960 111 2HB SER 13 2HB SER 13 -5.653 -14.352 3.440 112 HG SER 13 HG SER 13 -7.958 -15.669 2.960 113 H ALA 14 H ALA 14 -6.431 -11.535 2.929 114 HA ALA 14 HA ALA 14 -4.559 -10.840 0.751 115 1HB ALA 14 1HB ALA 14 -6.666 -9.485 0.696 116 2HB ALA 14 2HB ALA 14 -5.193 -8.536 0.892 117 3HB ALA 14 3HB ALA 14 -6.228 -8.845 2.281 118 H TYR 15 H TYR 15 -2.579 -10.295 1.363 119 HA TYR 15 HA TYR 15 -2.020 -10.059 4.234 120 1HB TYR 15 1HB TYR 15 -0.839 -11.896 3.207 121 2HB TYR 15 2HB TYR 15 -0.262 -10.865 1.902 122 HD1 TYR 15 HD1 TYR 15 1.905 -10.059 2.038 123 HD2 TYR 15 HD2 TYR 15 -0.116 -11.082 5.646 124 HE1 TYR 15 HE1 TYR 15 3.944 -9.570 3.315 125 HE2 TYR 15 HE2 TYR 15 1.923 -10.594 6.929 126 HH TYR 15 HH TYR 15 4.374 -10.493 6.527 127 H VAL 16 H VAL 16 -2.223 -7.958 4.693 128 HA VAL 16 HA VAL 16 -1.166 -5.842 3.070 129 HB VAL 16 HB VAL 16 -2.033 -5.766 5.979 130 1HG1 VAL 16 1HG1 VAL 16 -1.699 -3.542 3.961 131 2HG1 VAL 16 2HG1 VAL 16 -0.667 -3.849 5.358 132 3HG1 VAL 16 3HG1 VAL 16 -2.345 -3.359 5.592 133 1HG2 VAL 16 1HG2 VAL 16 -3.848 -6.575 4.559 134 2HG2 VAL 16 2HG2 VAL 16 -3.642 -5.190 3.484 135 3HG2 VAL 16 3HG2 VAL 16 -4.192 -4.946 5.143 136 H ALA 17 H ALA 17 1.002 -6.217 2.766 137 HA ALA 17 HA ALA 17 2.748 -7.260 4.698 138 1HB ALA 17 1HB ALA 17 4.531 -6.708 3.134 139 2HB ALA 17 2HB ALA 17 3.423 -5.686 2.217 140 3HB ALA 17 3HB ALA 17 3.154 -7.428 2.298 141 H LYS 18 H LYS 18 1.910 -3.939 3.901 142 HA LYS 18 HA LYS 18 4.056 -2.736 5.318 143 1HB LYS 18 1HB LYS 18 2.759 -0.647 5.134 144 2HB LYS 18 2HB LYS 18 2.899 -1.490 3.605 145 1HG LYS 18 1HG LYS 18 0.707 -0.758 3.609 146 2HG LYS 18 2HG LYS 18 0.565 -2.434 4.129 147 1HD LYS 18 1HD LYS 18 -0.887 -1.073 5.489 148 2HD LYS 18 2HD LYS 18 0.446 -1.639 6.492 149 1HE LYS 18 1HE LYS 18 0.489 1.063 5.164 150 2HE LYS 18 2HE LYS 18 -0.286 0.810 6.723 151 1HZ LYS 18 1HZ LYS 18 1.838 0.031 7.602 152 2HZ LYS 18 2HZ LYS 18 1.966 1.604 6.995 153 3HZ LYS 18 3HZ LYS 18 2.579 0.308 6.108 154 H LYS 19 H LYS 19 1.575 -4.538 6.497 155 HA LYS 19 HA LYS 19 1.969 -3.405 9.178 156 1HB LYS 19 1HB LYS 19 -0.267 -2.699 8.265 157 2HB LYS 19 2HB LYS 19 -0.709 -4.397 8.149 158 1HG LYS 19 1HG LYS 19 -0.349 -4.588 10.615 159 2HG LYS 19 2HG LYS 19 -0.103 -2.841 10.661 160 1HD LYS 19 1HD LYS 19 -2.373 -2.522 9.739 161 2HD LYS 19 2HD LYS 19 -2.609 -4.271 9.753 162 1HE LYS 19 1HE LYS 19 -2.112 -2.515 12.164 163 2HE LYS 19 2HE LYS 19 -3.655 -3.233 11.700 164 1HZ LYS 19 1HZ LYS 19 -2.573 -4.504 13.443 165 2HZ LYS 19 2HZ LYS 19 -1.212 -4.742 12.471 166 3HZ LYS 19 3HZ LYS 19 -2.690 -5.429 12.034 167 H ASP 20 H ASP 20 2.381 -5.964 7.194 168 HA ASP 20 HA ASP 20 2.598 -8.215 7.363 169 1HB ASP 20 1HB ASP 20 3.249 -7.305 10.160 170 2HB ASP 20 2HB ASP 20 3.208 -9.024 9.782 171 H LEU 21 H LEU 21 -0.048 -7.089 7.585 172 HA LEU 21 HA LEU 21 -1.439 -8.896 9.434 173 1HB LEU 21 1HB LEU 21 -2.176 -6.627 9.601 174 2HB LEU 21 2HB LEU 21 -2.318 -6.475 7.860 175 HG LEU 21 HG LEU 21 -4.194 -8.148 7.936 176 1HD1 LEU 21 1HD1 LEU 21 -3.977 -7.738 10.914 177 2HD1 LEU 21 2HD1 LEU 21 -3.663 -9.234 10.033 178 3HD1 LEU 21 3HD1 LEU 21 -5.293 -8.565 10.078 179 1HD2 LEU 21 1HD2 LEU 21 -5.862 -6.552 8.767 180 2HD2 LEU 21 2HD2 LEU 21 -4.646 -5.763 7.766 181 3HD2 LEU 21 3HD2 LEU 21 -4.578 -5.604 9.521 182 H GLU 22 H GLU 22 -1.977 -10.837 8.599 183 HA GLU 22 HA GLU 22 -3.076 -10.895 5.861 184 1HB GLU 22 1HB GLU 22 -1.217 -12.512 6.296 185 2HB GLU 22 2HB GLU 22 -2.200 -13.257 7.553 186 1HG GLU 22 1HG GLU 22 -3.947 -13.688 5.788 187 2HG GLU 22 2HG GLU 22 -2.763 -13.164 4.593 188 H GLU 23 H GLU 23 -5.225 -11.087 5.678 189 HA GLU 23 HA GLU 23 -6.743 -12.329 7.841 190 1HB GLU 23 1HB GLU 23 -6.566 -9.843 8.293 191 2HB GLU 23 2HB GLU 23 -7.465 -9.579 6.808 192 1HG GLU 23 1HG GLU 23 -8.882 -9.453 8.799 193 2HG GLU 23 2HG GLU 23 -9.382 -10.729 7.693 194 H LEU 24 H LEU 24 -8.981 -12.728 7.259 195 HA LEU 24 HA LEU 24 -9.186 -13.733 4.579 196 1HB LEU 24 1HB LEU 24 -11.256 -13.625 6.786 197 2HB LEU 24 2HB LEU 24 -11.383 -14.565 5.310 198 HG LEU 24 HG LEU 24 -9.339 -14.996 7.502 199 1HD1 LEU 24 1HD1 LEU 24 -11.759 -16.628 6.730 200 2HD1 LEU 24 2HD1 LEU 24 -11.586 -15.647 8.185 201 3HD1 LEU 24 3HD1 LEU 24 -10.561 -17.062 7.951 202 1HD2 LEU 24 1HD2 LEU 24 -8.437 -15.580 5.312 203 2HD2 LEU 24 2HD2 LEU 24 -9.857 -16.571 4.976 204 3HD2 LEU 24 3HD2 LEU 24 -8.746 -17.030 6.267 205 H ILE 25 H ILE 25 -10.266 -12.876 2.895 206 HA ILE 25 HA ILE 25 -11.266 -10.173 3.093 207 HB ILE 25 HB ILE 25 -11.180 -12.061 0.721 208 1HG1 ILE 25 1HG1 ILE 25 -9.356 -9.764 1.499 209 2HG1 ILE 25 2HG1 ILE 25 -8.948 -11.473 1.584 210 1HG2 ILE 25 1HG2 ILE 25 -11.560 -10.058 -0.654 211 2HG2 ILE 25 2HG2 ILE 25 -11.756 -9.093 0.811 212 3HG2 ILE 25 3HG2 ILE 25 -12.914 -10.370 0.432 213 1HD1 ILE 25 1HD1 ILE 25 -9.530 -9.912 -0.923 214 2HD1 ILE 25 2HD1 ILE 25 -9.136 -11.631 -0.848 215 3HD1 ILE 25 3HD1 ILE 25 -7.946 -10.429 -0.349 216 H VAL 26 H VAL 26 -13.089 -10.293 4.357 217 HA VAL 26 HA VAL 26 -15.196 -12.181 3.830 218 HB VAL 26 HB VAL 26 -16.454 -10.969 5.582 219 1HG1 VAL 26 1HG1 VAL 26 -14.928 -12.755 6.231 220 2HG1 VAL 26 2HG1 VAL 26 -14.949 -11.484 7.455 221 3HG1 VAL 26 3HG1 VAL 26 -13.595 -11.603 6.331 222 1HG2 VAL 26 1HG2 VAL 26 -15.668 -8.695 5.137 223 2HG2 VAL 26 2HG2 VAL 26 -14.046 -9.136 5.674 224 3HG2 VAL 26 3HG2 VAL 26 -15.386 -9.131 6.823 225 H GLU 27 H GLU 27 -14.484 -8.857 3.008 226 HA GLU 27 HA GLU 27 -16.951 -8.789 1.408 227 1HB GLU 27 1HB GLU 27 -17.081 -7.388 3.524 228 2HB GLU 27 2HB GLU 27 -15.815 -6.379 2.840 229 1HG GLU 27 1HG GLU 27 -18.049 -5.431 2.492 230 2HG GLU 27 2HG GLU 27 -17.234 -5.794 0.968 231 H MET 28 H MET 28 -16.781 -7.879 -0.594 232 HA MET 28 HA MET 28 -14.361 -6.532 -1.420 233 1HB MET 28 1HB MET 28 -14.145 -8.199 -3.403 234 2HB MET 28 2HB MET 28 -13.464 -8.643 -1.846 235 1HG MET 28 1HG MET 28 -14.624 -10.510 -2.908 236 2HG MET 28 2HG MET 28 -15.364 -10.060 -1.372 237 1HE MET 28 1HE MET 28 -17.540 -11.429 -1.910 238 2HE MET 28 2HE MET 28 -16.814 -11.953 -3.430 239 3HE MET 28 3HE MET 28 -18.445 -11.283 -3.416 240 H GLU 29 H GLU 29 -14.531 -5.636 -3.561 241 HA GLU 29 HA GLU 29 -17.072 -4.519 -4.097 242 1HB GLU 29 1HB GLU 29 -14.981 -3.388 -4.668 243 2HB GLU 29 2HB GLU 29 -14.585 -4.649 -5.814 244 1HG GLU 29 1HG GLU 29 -15.353 -2.890 -7.130 245 2HG GLU 29 2HG GLU 29 -16.727 -3.989 -7.035 246 H ASN 30 H ASN 30 -15.125 -6.605 -6.216 247 HA ASN 30 HA ASN 30 -17.505 -7.295 -7.752 248 1HB ASN 30 1HB ASN 30 -15.415 -6.586 -8.886 249 2HB ASN 30 2HB ASN 30 -14.592 -7.980 -8.209 250 1HD2 ASN 30 1HD2 ASN 30 -14.037 -8.767 -10.199 251 2HD2 ASN 30 2HD2 ASN 30 -15.185 -9.482 -11.279 252 HA PRO 31 HA PRO 31 -18.487 -11.031 -5.565 253 1HB PRO 31 1HB PRO 31 -18.976 -12.488 -7.977 254 2HB PRO 31 2HB PRO 31 -20.161 -11.679 -6.949 255 1HG PRO 31 1HG PRO 31 -18.781 -10.677 -9.401 256 2HG PRO 31 2HG PRO 31 -20.442 -10.373 -8.841 257 1HD PRO 31 1HD PRO 31 -18.608 -8.483 -8.609 258 2HD PRO 31 2HD PRO 31 -19.704 -8.789 -7.245 259 H ALA 32 H ALA 32 -16.307 -11.212 -8.363 260 HA ALA 32 HA ALA 32 -15.146 -13.713 -7.693 261 1HB ALA 32 1HB ALA 32 -13.314 -13.026 -9.210 262 2HB ALA 32 2HB ALA 32 -14.042 -11.422 -9.321 263 3HB ALA 32 3HB ALA 32 -14.913 -12.830 -9.934 264 H LEU 33 H LEU 33 -13.750 -10.447 -7.461 265 HA LEU 33 HA LEU 33 -12.776 -10.524 -4.883 266 1HB LEU 33 1HB LEU 33 -11.511 -12.528 -5.746 267 2HB LEU 33 2HB LEU 33 -10.681 -11.460 -6.857 268 HG LEU 33 HG LEU 33 -9.677 -10.234 -4.992 269 1HD1 LEU 33 1HD1 LEU 33 -9.918 -11.051 -2.689 270 2HD1 LEU 33 2HD1 LEU 33 -11.136 -12.206 -3.231 271 3HD1 LEU 33 3HD1 LEU 33 -11.445 -10.472 -3.350 272 1HD2 LEU 33 1HD2 LEU 33 -9.294 -13.225 -4.767 273 2HD2 LEU 33 2HD2 LEU 33 -8.181 -11.992 -4.171 274 3HD2 LEU 33 3HD2 LEU 33 -8.473 -12.152 -5.902 275 H TRP 34 H TRP 34 -11.092 -9.934 -7.945 276 HA TRP 34 HA TRP 34 -10.207 -7.334 -7.140 277 1HB TRP 34 1HB TRP 34 -10.074 -8.723 -9.836 278 2HB TRP 34 2HB TRP 34 -9.199 -7.258 -9.399 279 HD1 TRP 34 HD1 TRP 34 -9.382 -10.979 -8.289 280 HE1 TRP 34 HE1 TRP 34 -7.042 -11.669 -7.458 281 HE3 TRP 34 HE3 TRP 34 -7.009 -6.482 -8.697 282 HZ2 TRP 34 HZ2 TRP 34 -4.545 -10.468 -7.023 283 HZ3 TRP 34 HZ3 TRP 34 -4.641 -6.331 -8.055 284 HH2 TRP 34 HH2 TRP 34 -3.437 -8.286 -7.235 285 H GLY 35 H GLY 35 -11.112 -5.394 -7.564 286 1HA GLY 35 1HA GLY 35 -12.927 -4.938 -9.726 287 2HA GLY 35 2HA GLY 35 -13.779 -5.089 -8.194 288 H GLY 36 H GLY 36 -12.368 -3.806 -6.390 289 1HA GLY 36 1HA GLY 36 -11.201 -1.358 -7.110 290 2HA GLY 36 2HA GLY 36 -12.930 -1.101 -6.906 291 H LYS 37 H LYS 37 -13.830 -2.077 -4.836 292 HA LYS 37 HA LYS 37 -12.059 -1.336 -2.607 293 1HB LYS 37 1HB LYS 37 -14.075 -1.035 -1.304 294 2HB LYS 37 2HB LYS 37 -14.262 -0.178 -2.827 295 1HG LYS 37 1HG LYS 37 -15.713 -1.848 -3.703 296 2HG LYS 37 2HG LYS 37 -15.355 -2.950 -2.377 297 1HD LYS 37 1HD LYS 37 -17.524 -2.020 -2.020 298 2HD LYS 37 2HD LYS 37 -16.431 -1.333 -0.819 299 1HE LYS 37 1HE LYS 37 -17.794 0.449 -1.612 300 2HE LYS 37 2HE LYS 37 -16.201 0.672 -2.335 301 1HZ LYS 37 1HZ LYS 37 -18.019 1.008 -3.921 302 2HZ LYS 37 2HZ LYS 37 -18.523 -0.587 -3.695 303 3HZ LYS 37 3HZ LYS 37 -17.015 -0.271 -4.384 304 H VAL 38 H VAL 38 -11.699 -2.714 -0.888 305 HA VAL 38 HA VAL 38 -13.055 -5.294 -0.749 306 HB VAL 38 HB VAL 38 -10.075 -4.975 -1.147 307 1HG1 VAL 38 1HG1 VAL 38 -9.772 -7.327 -0.455 308 2HG1 VAL 38 2HG1 VAL 38 -11.448 -7.363 0.095 309 3HG1 VAL 38 3HG1 VAL 38 -10.283 -6.298 0.882 310 1HG2 VAL 38 1HG2 VAL 38 -11.386 -5.424 -3.141 311 2HG2 VAL 38 2HG2 VAL 38 -12.107 -6.840 -2.376 312 3HG2 VAL 38 3HG2 VAL 38 -10.383 -6.820 -2.746 313 H THR 39 H THR 39 -12.884 -6.241 1.393 314 HA THR 39 HA THR 39 -11.628 -4.579 3.443 315 HB THR 39 HB THR 39 -14.546 -5.387 3.581 316 HG1 THR 39 HG1 THR 39 -13.261 -3.159 2.598 317 1HG2 THR 39 1HG2 THR 39 -14.588 -4.005 5.615 318 2HG2 THR 39 2HG2 THR 39 -12.854 -3.724 5.461 319 3HG2 THR 39 3HG2 THR 39 -13.459 -5.350 5.778 320 H LEU 40 H LEU 40 -10.693 -5.742 4.981 321 HA LEU 40 HA LEU 40 -10.884 -8.636 4.916 322 1HB LEU 40 1HB LEU 40 -9.124 -6.732 6.473 323 2HB LEU 40 2HB LEU 40 -9.070 -8.470 6.679 324 HG LEU 40 HG LEU 40 -7.258 -7.915 5.267 325 1HD1 LEU 40 1HD1 LEU 40 -7.778 -9.089 3.199 326 2HD1 LEU 40 2HD1 LEU 40 -9.499 -8.917 3.518 327 3HD1 LEU 40 3HD1 LEU 40 -8.496 -9.898 4.587 328 1HD2 LEU 40 1HD2 LEU 40 -7.472 -6.613 3.207 329 2HD2 LEU 40 2HD2 LEU 40 -7.956 -5.671 4.618 330 3HD2 LEU 40 3HD2 LEU 40 -9.184 -6.348 3.547 331 H ALA 41 H ALA 41 -10.999 -9.840 7.007 332 HA ALA 41 HA ALA 41 -13.366 -9.230 8.420 333 1HB ALA 41 1HB ALA 41 -11.142 -11.120 9.210 334 2HB ALA 41 2HB ALA 41 -12.500 -11.514 8.156 335 3HB ALA 41 3HB ALA 41 -12.786 -11.121 9.851 336 H ASN 42 H ASN 42 -10.126 -8.208 8.851 337 HA ASN 42 HA ASN 42 -10.313 -7.522 11.636 338 1HB ASN 42 1HB ASN 42 -8.141 -8.048 10.589 339 2HB ASN 42 2HB ASN 42 -8.310 -6.659 9.521 340 1HD2 ASN 42 1HD2 ASN 42 -7.972 -4.590 10.348 341 2HD2 ASN 42 2HD2 ASN 42 -7.259 -4.308 11.895 342 H GLY 43 H GLY 43 -11.618 -6.215 8.852 343 1HA GLY 43 1HA GLY 43 -13.022 -4.318 8.810 344 2HA GLY 43 2HA GLY 43 -12.155 -3.661 10.192 345 H TRP 44 H TRP 44 -9.706 -4.643 8.440 346 HA TRP 44 HA TRP 44 -8.938 -2.079 7.541 347 1HB TRP 44 1HB TRP 44 -7.350 -3.889 8.199 348 2HB TRP 44 2HB TRP 44 -7.796 -4.780 6.748 349 HD1 TRP 44 HD1 TRP 44 -7.054 -3.602 4.351 350 HE1 TRP 44 HE1 TRP 44 -5.011 -2.132 3.818 351 HE3 TRP 44 HE3 TRP 44 -5.788 -2.198 9.107 352 HZ2 TRP 44 HZ2 TRP 44 -3.109 -0.594 5.221 353 HZ3 TRP 44 HZ3 TRP 44 -3.839 -0.730 9.422 354 HH2 TRP 44 HH2 TRP 44 -2.528 0.055 7.517 355 H GLN 45 H GLN 45 -9.508 -1.045 5.736 356 HA GLN 45 HA GLN 45 -10.804 -2.545 3.576 357 1HB GLN 45 1HB GLN 45 -10.688 0.439 4.075 358 2HB GLN 45 2HB GLN 45 -11.602 -0.353 2.796 359 1HG GLN 45 1HG GLN 45 -12.927 -1.527 4.534 360 2HG GLN 45 2HG GLN 45 -12.065 -0.605 5.766 361 1HE2 GLN 45 1HE2 GLN 45 -12.452 1.623 5.945 362 2HE2 GLN 45 2HE2 GLN 45 -13.852 2.363 5.254 363 H LEU 46 H LEU 46 -9.844 -2.871 1.694 364 HA LEU 46 HA LEU 46 -7.375 -1.399 1.046 365 1HB LEU 46 1HB LEU 46 -6.848 -3.674 1.809 366 2HB LEU 46 2HB LEU 46 -7.966 -4.343 0.636 367 HG LEU 46 HG LEU 46 -6.520 -3.425 -1.190 368 1HD1 LEU 46 1HD1 LEU 46 -4.234 -2.732 -0.644 369 2HD1 LEU 46 2HD1 LEU 46 -4.623 -2.802 1.075 370 3HD1 LEU 46 3HD1 LEU 46 -5.431 -1.629 0.033 371 1HD2 LEU 46 1HD2 LEU 46 -6.349 -5.760 -0.505 372 2HD2 LEU 46 2HD2 LEU 46 -5.169 -5.324 0.733 373 3HD2 LEU 46 3HD2 LEU 46 -4.772 -5.125 -0.974 374 H GLU 47 H GLU 47 -7.169 -0.750 -1.066 375 HA GLU 47 HA GLU 47 -9.590 -0.988 -2.693 376 1HB GLU 47 1HB GLU 47 -8.404 1.245 -2.090 377 2HB GLU 47 2HB GLU 47 -7.229 0.782 -3.311 378 1HG GLU 47 1HG GLU 47 -9.047 0.661 -4.974 379 2HG GLU 47 2HG GLU 47 -10.186 1.200 -3.735 380 H LEU 48 H LEU 48 -9.543 -2.767 -3.898 381 HA LEU 48 HA LEU 48 -6.994 -3.726 -5.000 382 1HB LEU 48 1HB LEU 48 -8.468 -5.181 -3.515 383 2HB LEU 48 2HB LEU 48 -9.611 -5.222 -4.842 384 HG LEU 48 HG LEU 48 -7.900 -6.291 -6.274 385 1HD1 LEU 48 1HD1 LEU 48 -5.829 -7.138 -5.266 386 2HD1 LEU 48 2HD1 LEU 48 -6.220 -6.305 -3.761 387 3HD1 LEU 48 3HD1 LEU 48 -5.897 -5.376 -5.226 388 1HD2 LEU 48 1HD2 LEU 48 -7.908 -8.478 -5.164 389 2HD2 LEU 48 2HD2 LEU 48 -9.478 -7.685 -5.041 390 3HD2 LEU 48 3HD2 LEU 48 -8.392 -7.709 -3.651 391 HA PRO 49 HA PRO 49 -8.799 -1.972 -8.775 392 1HB PRO 49 1HB PRO 49 -6.539 -2.066 -10.279 393 2HB PRO 49 2HB PRO 49 -6.813 -0.822 -9.053 394 1HG PRO 49 1HG PRO 49 -5.183 -3.332 -8.875 395 2HG PRO 49 2HG PRO 49 -4.793 -1.701 -8.294 396 1HD PRO 49 1HD PRO 49 -5.719 -3.675 -6.662 397 2HD PRO 49 2HD PRO 49 -6.039 -1.955 -6.371 398 H ALA 50 H ALA 50 -9.783 -2.983 -10.459 399 HA ALA 50 HA ALA 50 -9.784 -5.806 -10.584 400 1HB ALA 50 1HB ALA 50 -11.744 -4.443 -11.142 401 2HB ALA 50 2HB ALA 50 -11.330 -5.550 -12.450 402 3HB ALA 50 3HB ALA 50 -10.917 -3.839 -12.577 403 H MET 51 H MET 51 -7.517 -6.250 -10.907 404 HA MET 51 HA MET 51 -6.352 -5.664 -13.501 405 1HB MET 51 1HB MET 51 -5.325 -7.257 -11.136 406 2HB MET 51 2HB MET 51 -4.405 -6.972 -12.608 407 1HG MET 51 1HG MET 51 -5.427 -4.813 -10.769 408 2HG MET 51 2HG MET 51 -3.787 -5.462 -10.758 409 1HE MET 51 1HE MET 51 -3.356 -1.860 -12.308 410 2HE MET 51 2HE MET 51 -2.851 -2.953 -11.020 411 3HE MET 51 3HE MET 51 -4.503 -2.336 -11.053 412 H ALA 52 H ALA 52 -6.971 -8.645 -11.652 413 HA ALA 52 HA ALA 52 -8.000 -9.966 -14.029 414 1HB ALA 52 1HB ALA 52 -6.472 -11.867 -13.852 415 2HB ALA 52 2HB ALA 52 -5.610 -11.070 -12.535 416 3HB ALA 52 3HB ALA 52 -5.576 -10.378 -14.158 417 H ALA 53 H ALA 53 -9.805 -10.927 -13.384 418 HA ALA 53 HA ALA 53 -10.723 -10.963 -10.766 419 1HB ALA 53 1HB ALA 53 -12.558 -12.351 -11.574 420 2HB ALA 53 2HB ALA 53 -11.646 -12.726 -13.039 421 3HB ALA 53 3HB ALA 53 -12.186 -11.075 -12.734 422 H ASP 54 H ASP 54 -9.613 -13.775 -12.676 423 HA ASP 54 HA ASP 54 -9.190 -15.229 -10.149 424 1HB ASP 54 1HB ASP 54 -10.604 -16.439 -11.714 425 2HB ASP 54 2HB ASP 54 -9.404 -16.261 -12.990 426 H THR 55 H THR 55 -7.257 -14.315 -9.551 427 HA THR 55 HA THR 55 -4.969 -14.187 -11.247 428 HB THR 55 HB THR 55 -4.824 -14.271 -8.236 429 HG1 THR 55 HG1 THR 55 -5.901 -12.205 -9.878 430 1HG2 THR 55 1HG2 THR 55 -3.087 -12.578 -8.583 431 2HG2 THR 55 2HG2 THR 55 -3.392 -12.605 -10.319 432 3HG2 THR 55 3HG2 THR 55 -2.734 -14.032 -9.517 433 HA PRO 56 HA PRO 56 -3.973 -18.544 -11.014 434 1HB PRO 56 1HB PRO 56 -1.388 -18.388 -11.937 435 2HB PRO 56 2HB PRO 56 -2.813 -18.347 -12.979 436 1HG PRO 56 1HG PRO 56 -1.147 -16.077 -11.958 437 2HG PRO 56 2HG PRO 56 -1.830 -16.326 -13.575 438 1HD PRO 56 1HD PRO 56 -2.961 -14.652 -11.787 439 2HD PRO 56 2HD PRO 56 -3.934 -15.593 -12.938 440 H LEU 57 H LEU 57 -1.583 -16.202 -9.789 441 HA LEU 57 HA LEU 57 -1.086 -17.976 -7.497 442 1HB LEU 57 1HB LEU 57 1.347 -17.344 -7.631 443 2HB LEU 57 2HB LEU 57 0.779 -18.404 -8.902 444 HG LEU 57 HG LEU 57 0.631 -16.353 -10.398 445 1HD1 LEU 57 1HD1 LEU 57 2.013 -14.420 -9.780 446 2HD1 LEU 57 2HD1 LEU 57 2.233 -15.100 -8.166 447 3HD1 LEU 57 3HD1 LEU 57 0.627 -14.611 -8.706 448 1HD2 LEU 57 1HD2 LEU 57 2.435 -17.996 -10.563 449 2HD2 LEU 57 2HD2 LEU 57 3.352 -17.120 -9.336 450 3HD2 LEU 57 3HD2 LEU 57 3.020 -16.366 -10.896 451 HA PRO 58 HA PRO 58 -1.401 -14.418 -4.880 452 1HB PRO 58 1HB PRO 58 0.885 -14.512 -3.345 453 2HB PRO 58 2HB PRO 58 -0.537 -15.528 -3.078 454 1HG PRO 58 1HG PRO 58 2.002 -16.185 -4.534 455 2HG PRO 58 2HG PRO 58 1.102 -17.164 -3.356 456 1HD PRO 58 1HD PRO 58 0.878 -17.632 -5.977 457 2HD PRO 58 2HD PRO 58 -0.539 -17.748 -4.911 458 H ILE 59 H ILE 59 -1.254 -12.529 -5.921 459 HA ILE 59 HA ILE 59 1.316 -11.682 -7.073 460 HB ILE 59 HB ILE 59 -0.565 -11.760 -8.625 461 1HG1 ILE 59 1HG1 ILE 59 0.211 -8.900 -7.960 462 2HG1 ILE 59 2HG1 ILE 59 1.130 -10.003 -8.978 463 1HG2 ILE 59 1HG2 ILE 59 -2.375 -11.454 -7.021 464 2HG2 ILE 59 2HG2 ILE 59 -2.517 -10.310 -8.354 465 3HG2 ILE 59 3HG2 ILE 59 -1.903 -9.769 -6.792 466 1HD1 ILE 59 1HD1 ILE 59 -0.115 -8.418 -10.313 467 2HD1 ILE 59 2HD1 ILE 59 -1.623 -8.932 -9.558 468 3HD1 ILE 59 3HD1 ILE 59 -0.720 -10.053 -10.580 469 H THR 60 H THR 60 2.190 -9.660 -6.641 470 HA THR 60 HA THR 60 1.207 -8.308 -4.223 471 HB THR 60 HB THR 60 3.886 -8.067 -5.627 472 HG1 THR 60 HG1 THR 60 3.450 -10.103 -4.530 473 1HG2 THR 60 1HG2 THR 60 2.953 -6.967 -2.965 474 2HG2 THR 60 2HG2 THR 60 3.296 -6.021 -4.415 475 3HG2 THR 60 3HG2 THR 60 4.599 -6.880 -3.592 476 H VAL 61 H VAL 61 0.103 -6.476 -4.470 477 HA VAL 61 HA VAL 61 0.468 -4.895 -6.938 478 HB VAL 61 HB VAL 61 -1.922 -4.193 -6.707 479 1HG1 VAL 61 1HG1 VAL 61 -1.484 -7.161 -7.078 480 2HG1 VAL 61 2HG1 VAL 61 -1.264 -5.915 -8.309 481 3HG1 VAL 61 3HG1 VAL 61 -2.871 -6.233 -7.654 482 1HG2 VAL 61 1HG2 VAL 61 -2.259 -4.700 -4.346 483 2HG2 VAL 61 2HG2 VAL 61 -2.039 -6.423 -4.662 484 3HG2 VAL 61 3HG2 VAL 61 -3.432 -5.574 -5.333 485 H GLU 62 H GLU 62 -0.657 -2.640 -6.554 486 HA GLU 62 HA GLU 62 0.870 -1.298 -4.563 487 1HB GLU 62 1HB GLU 62 -0.282 0.729 -5.376 488 2HB GLU 62 2HB GLU 62 0.357 -0.236 -6.699 489 1HG GLU 62 1HG GLU 62 -1.949 -1.208 -6.970 490 2HG GLU 62 2HG GLU 62 -2.512 -0.003 -5.813 491 H ALA 63 H ALA 63 0.372 -1.028 -2.490 492 HA ALA 63 HA ALA 63 -2.217 -1.745 -1.452 493 1HB ALA 63 1HB ALA 63 -1.249 -1.286 0.739 494 2HB ALA 63 2HB ALA 63 0.173 -0.572 -0.021 495 3HB ALA 63 3HB ALA 63 -0.165 -2.290 -0.221 496 H ARG 64 H ARG 64 -3.836 -0.410 -1.721 497 HA ARG 64 HA ARG 64 -3.495 2.438 -1.025 498 1HB ARG 64 1HB ARG 64 -3.980 2.179 -3.412 499 2HB ARG 64 2HB ARG 64 -5.371 1.172 -3.044 500 1HG ARG 64 1HG ARG 64 -6.279 3.255 -3.574 501 2HG ARG 64 2HG ARG 64 -6.316 3.198 -1.812 502 1HD ARG 64 1HD ARG 64 -4.231 4.600 -3.492 503 2HD ARG 64 2HD ARG 64 -5.570 5.382 -2.657 504 HE ARG 64 HE ARG 64 -3.139 4.298 -1.465 505 1HH1 ARG 64 1HH1 ARG 64 -6.310 5.686 -0.959 506 2HH1 ARG 64 2HH1 ARG 64 -5.959 6.216 0.653 507 1HH2 ARG 64 1HH2 ARG 64 -2.671 5.001 0.649 508 2HH2 ARG 64 2HH2 ARG 64 -3.883 5.838 1.570 509 H LYS 65 H LYS 65 -4.256 2.561 1.031 510 HA LYS 65 HA LYS 65 -6.428 0.852 1.911 511 1HB LYS 65 1HB LYS 65 -4.534 1.339 3.422 512 2HB LYS 65 2HB LYS 65 -4.954 3.048 3.396 513 1HG LYS 65 1HG LYS 65 -7.157 2.476 4.394 514 2HG LYS 65 2HG LYS 65 -6.628 0.798 4.514 515 1HD LYS 65 1HD LYS 65 -4.787 1.490 5.986 516 2HD LYS 65 2HD LYS 65 -5.323 3.167 5.864 517 1HE LYS 65 1HE LYS 65 -6.923 0.874 7.009 518 2HE LYS 65 2HE LYS 65 -6.101 2.124 7.940 519 1HZ LYS 65 1HZ LYS 65 -7.544 3.776 6.944 520 2HZ LYS 65 2HZ LYS 65 -8.464 2.584 7.707 521 3HZ LYS 65 3HZ LYS 65 -8.323 2.592 6.020 522 H LEU 66 H LEU 66 -8.439 1.564 2.671 523 HA LEU 66 HA LEU 66 -9.358 4.129 1.604 524 1HB LEU 66 1HB LEU 66 -10.834 1.739 2.717 525 2HB LEU 66 2HB LEU 66 -11.633 3.253 2.347 526 HG LEU 66 HG LEU 66 -10.959 3.009 -0.029 527 1HD1 LEU 66 1HD1 LEU 66 -9.938 0.309 0.845 528 2HD1 LEU 66 2HD1 LEU 66 -8.967 1.653 0.245 529 3HD1 LEU 66 3HD1 LEU 66 -10.115 0.850 -0.825 530 1HD2 LEU 66 1HD2 LEU 66 -13.158 2.247 0.710 531 2HD2 LEU 66 2HD2 LEU 66 -12.489 0.659 1.093 532 3HD2 LEU 66 3HD2 LEU 66 -12.531 1.219 -0.579 Start of MODEL 9 1 H MET 1 H MET 1 0.835 0.375 -1.334 2 HA MET 1 HA MET 1 3.735 0.361 -1.883 3 1HB MET 1 1HB MET 1 2.972 1.100 0.420 4 2HB MET 1 2HB MET 1 2.262 -0.494 0.626 5 1HG MET 1 1HG MET 1 4.386 -1.545 0.552 6 2HG MET 1 2HG MET 1 5.168 -0.062 0.013 7 1HE MET 1 1HE MET 1 6.694 -0.539 3.584 8 2HE MET 1 2HE MET 1 7.034 -0.314 1.868 9 3HE MET 1 3HE MET 1 6.295 -1.812 2.431 10 H LYS 2 H LYS 2 4.541 -1.917 -1.198 11 HA LYS 2 HA LYS 2 3.441 -3.776 -3.026 12 1HB LYS 2 1HB LYS 2 5.786 -3.776 -2.806 13 2HB LYS 2 2HB LYS 2 5.713 -3.785 -1.052 14 1HG LYS 2 1HG LYS 2 5.054 -6.091 -1.027 15 2HG LYS 2 2HG LYS 2 4.887 -6.105 -2.784 16 1HD LYS 2 1HD LYS 2 7.237 -5.852 -3.097 17 2HD LYS 2 2HD LYS 2 7.489 -5.489 -1.389 18 1HE LYS 2 1HE LYS 2 6.478 -8.136 -2.427 19 2HE LYS 2 2HE LYS 2 8.168 -7.793 -2.064 20 1HZ LYS 2 1HZ LYS 2 7.493 -7.285 0.233 21 2HZ LYS 2 2HZ LYS 2 7.162 -8.882 -0.204 22 3HZ LYS 2 3HZ LYS 2 5.909 -7.754 -0.136 23 H VAL 3 H VAL 3 1.702 -4.959 -2.625 24 HA VAL 3 HA VAL 3 1.412 -6.202 0.027 25 HB VAL 3 HB VAL 3 -0.100 -4.208 -0.214 26 1HG1 VAL 3 1HG1 VAL 3 -1.439 -5.876 -2.344 27 2HG1 VAL 3 2HG1 VAL 3 -0.594 -4.346 -2.583 28 3HG1 VAL 3 3HG1 VAL 3 -2.086 -4.391 -1.644 29 1HG2 VAL 3 1HG2 VAL 3 -0.609 -5.980 1.343 30 2HG2 VAL 3 2HG2 VAL 3 -1.444 -6.889 0.084 31 3HG2 VAL 3 3HG2 VAL 3 -2.094 -5.344 0.637 32 H MET 4 H MET 4 0.757 -8.336 -0.026 33 HA MET 4 HA MET 4 0.616 -9.509 -2.724 34 1HB MET 4 1HB MET 4 2.502 -10.306 -1.413 35 2HB MET 4 2HB MET 4 1.436 -10.761 -0.090 36 1HG MET 4 1HG MET 4 0.408 -12.478 -1.453 37 2HG MET 4 2HG MET 4 1.356 -11.974 -2.851 38 1HE MET 4 1HE MET 4 3.923 -12.343 -3.125 39 2HE MET 4 2HE MET 4 4.969 -13.029 -1.883 40 3HE MET 4 3HE MET 4 4.236 -11.443 -1.640 41 H ILE 5 H ILE 5 -1.329 -10.045 -3.390 42 HA ILE 5 HA ILE 5 -3.426 -10.792 -1.500 43 HB ILE 5 HB ILE 5 -3.559 -10.565 -4.521 44 1HG1 ILE 5 1HG1 ILE 5 -2.997 -8.398 -3.540 45 2HG1 ILE 5 2HG1 ILE 5 -4.661 -8.381 -4.114 46 1HG2 ILE 5 1HG2 ILE 5 -5.996 -10.468 -4.174 47 2HG2 ILE 5 2HG2 ILE 5 -5.754 -10.739 -2.449 48 3HG2 ILE 5 3HG2 ILE 5 -5.309 -11.991 -3.608 49 1HD1 ILE 5 1HD1 ILE 5 -5.451 -8.695 -1.822 50 2HD1 ILE 5 2HD1 ILE 5 -4.453 -7.251 -1.981 51 3HD1 ILE 5 3HD1 ILE 5 -3.783 -8.708 -1.251 52 H ARG 6 H ARG 6 -3.667 -12.854 -0.945 53 HA ARG 6 HA ARG 6 -2.201 -14.878 -2.473 54 1HB ARG 6 1HB ARG 6 -3.340 -15.078 0.326 55 2HB ARG 6 2HB ARG 6 -2.215 -16.196 -0.440 56 1HG ARG 6 1HG ARG 6 -0.535 -14.374 -0.550 57 2HG ARG 6 2HG ARG 6 -1.659 -13.323 0.311 58 1HD ARG 6 1HD ARG 6 -0.092 -14.199 1.894 59 2HD ARG 6 2HD ARG 6 -1.651 -14.968 2.189 60 HE ARG 6 HE ARG 6 -0.006 -16.512 0.434 61 1HH1 ARG 6 1HH1 ARG 6 -0.488 -15.697 3.808 62 2HH1 ARG 6 2HH1 ARG 6 0.170 -17.194 4.391 63 1HH2 ARG 6 1HH2 ARG 6 0.865 -18.483 1.206 64 2HH2 ARG 6 2HH2 ARG 6 0.908 -18.787 2.914 65 H LYS 7 H LYS 7 -3.263 -16.153 -3.777 66 HA LYS 7 HA LYS 7 -6.149 -16.580 -3.451 67 1HB LYS 7 1HB LYS 7 -4.308 -17.117 -5.806 68 2HB LYS 7 2HB LYS 7 -6.041 -17.415 -5.796 69 1HG LYS 7 1HG LYS 7 -4.843 -14.692 -5.328 70 2HG LYS 7 2HG LYS 7 -5.281 -15.291 -6.927 71 1HD LYS 7 1HD LYS 7 -7.332 -15.402 -4.758 72 2HD LYS 7 2HD LYS 7 -6.961 -13.836 -5.476 73 1HE LYS 7 1HE LYS 7 -8.872 -14.927 -6.571 74 2HE LYS 7 2HE LYS 7 -7.530 -14.681 -7.684 75 1HZ LYS 7 1HZ LYS 7 -8.153 -17.248 -6.321 76 2HZ LYS 7 2HZ LYS 7 -6.946 -16.993 -7.481 77 3HZ LYS 7 3HZ LYS 7 -8.572 -16.866 -7.913 78 H THR 8 H THR 8 -6.734 -18.394 -2.437 79 HA THR 8 HA THR 8 -5.431 -20.910 -3.081 80 HB THR 8 HB THR 8 -4.133 -20.100 -1.141 81 HG1 THR 8 HG1 THR 8 -4.293 -22.291 -1.149 82 1HG2 THR 8 1HG2 THR 8 -5.196 -19.863 1.061 83 2HG2 THR 8 2HG2 THR 8 -6.779 -20.120 0.326 84 3HG2 THR 8 3HG2 THR 8 -5.837 -18.688 -0.089 85 H ALA 9 H ALA 9 -6.633 -22.628 -1.477 86 HA ALA 9 HA ALA 9 -9.195 -22.882 -2.523 87 1HB ALA 9 1HB ALA 9 -7.870 -24.762 -1.681 88 2HB ALA 9 2HB ALA 9 -9.479 -24.733 -0.959 89 3HB ALA 9 3HB ALA 9 -8.085 -24.179 -0.031 90 H THR 10 H THR 10 -10.684 -21.382 -2.211 91 HA THR 10 HA THR 10 -12.390 -20.250 -1.312 92 HB THR 10 HB THR 10 -13.347 -20.825 0.852 93 HG1 THR 10 HG1 THR 10 -11.198 -22.643 1.258 94 1HG2 THR 10 1HG2 THR 10 -12.408 -23.265 -0.664 95 2HG2 THR 10 2HG2 THR 10 -13.828 -22.289 -1.045 96 3HG2 THR 10 3HG2 THR 10 -13.768 -23.208 0.460 97 H GLY 11 H GLY 11 -9.751 -20.362 1.108 98 1HA GLY 11 1HA GLY 11 -10.513 -17.897 2.309 99 2HA GLY 11 2HA GLY 11 -9.022 -18.778 2.593 100 H HIS 12 H HIS 12 -10.622 -16.517 0.394 101 HA HIS 12 HA HIS 12 -8.219 -15.752 -0.954 102 1HB HIS 12 1HB HIS 12 -10.822 -14.222 -0.644 103 2HB HIS 12 2HB HIS 12 -9.530 -13.844 -1.781 104 HD1 HIS 12 HD1 HIS 12 -12.556 -15.886 -1.396 105 HD2 HIS 12 HD2 HIS 12 -9.214 -15.830 -3.867 106 HE1 HIS 12 HE1 HIS 12 -13.136 -17.352 -3.350 107 HE2 HIS 12 HE2 HIS 12 -11.197 -17.100 -4.932 108 H SER 13 H SER 13 -6.575 -14.758 0.038 109 HA SER 13 HA SER 13 -7.171 -13.186 2.467 110 1HB SER 13 1HB SER 13 -4.674 -14.800 1.871 111 2HB SER 13 2HB SER 13 -5.049 -13.962 3.377 112 HG SER 13 HG SER 13 -6.529 -16.117 2.259 113 H ALA 14 H ALA 14 -5.935 -11.359 2.908 114 HA ALA 14 HA ALA 14 -4.220 -10.349 0.725 115 1HB ALA 14 1HB ALA 14 -4.990 -8.084 1.245 116 2HB ALA 14 2HB ALA 14 -6.067 -8.723 2.487 117 3HB ALA 14 3HB ALA 14 -6.346 -9.116 0.789 118 H TYR 15 H TYR 15 -2.183 -10.158 1.379 119 HA TYR 15 HA TYR 15 -1.621 -9.909 4.257 120 1HB TYR 15 1HB TYR 15 -0.681 -11.924 3.299 121 2HB TYR 15 2HB TYR 15 0.070 -11.006 1.997 122 HD1 TYR 15 HD1 TYR 15 2.383 -11.142 2.237 123 HD2 TYR 15 HD2 TYR 15 -0.001 -10.498 5.708 124 HE1 TYR 15 HE1 TYR 15 4.421 -10.892 3.587 125 HE2 TYR 15 HE2 TYR 15 2.033 -10.251 7.064 126 HH TYR 15 HH TYR 15 4.323 -10.730 7.059 127 H VAL 16 H VAL 16 -1.387 -7.846 4.764 128 HA VAL 16 HA VAL 16 0.080 -6.018 3.012 129 HB VAL 16 HB VAL 16 -1.243 -5.408 5.669 130 1HG1 VAL 16 1HG1 VAL 16 -1.182 -3.078 4.879 131 2HG1 VAL 16 2HG1 VAL 16 -0.318 -3.597 3.431 132 3HG1 VAL 16 3HG1 VAL 16 0.433 -3.773 5.017 133 1HG2 VAL 16 1HG2 VAL 16 -3.133 -4.527 4.376 134 2HG2 VAL 16 2HG2 VAL 16 -2.912 -6.253 4.097 135 3HG2 VAL 16 3HG2 VAL 16 -2.379 -5.090 2.883 136 H ALA 17 H ALA 17 2.212 -6.505 3.191 137 HA ALA 17 HA ALA 17 3.483 -7.613 5.405 138 1HB ALA 17 1HB ALA 17 4.350 -7.723 3.116 139 2HB ALA 17 2HB ALA 17 5.568 -7.142 4.253 140 3HB ALA 17 3HB ALA 17 4.743 -6.005 3.185 141 H LYS 18 H LYS 18 3.350 -4.191 4.390 142 HA LYS 18 HA LYS 18 5.137 -3.248 6.357 143 1HB LYS 18 1HB LYS 18 4.352 -1.023 5.855 144 2HB LYS 18 2HB LYS 18 4.488 -1.929 4.355 145 1HG LYS 18 1HG LYS 18 2.164 -2.084 4.096 146 2HG LYS 18 2HG LYS 18 1.857 -1.682 5.788 147 1HD LYS 18 1HD LYS 18 2.702 0.598 5.381 148 2HD LYS 18 2HD LYS 18 2.959 0.190 3.685 149 1HE LYS 18 1HE LYS 18 0.598 -0.112 3.340 150 2HE LYS 18 2HE LYS 18 0.275 0.069 5.062 151 1HZ LYS 18 1HZ LYS 18 1.352 2.182 3.274 152 2HZ LYS 18 2HZ LYS 18 1.053 2.357 4.925 153 3HZ LYS 18 3HZ LYS 18 -0.234 2.097 3.858 154 H LYS 19 H LYS 19 1.685 -3.842 6.422 155 HA LYS 19 HA LYS 19 1.379 -2.562 9.026 156 1HB LYS 19 1HB LYS 19 -0.315 -2.438 7.077 157 2HB LYS 19 2HB LYS 19 -0.744 -4.088 7.507 158 1HG LYS 19 1HG LYS 19 -1.309 -3.290 9.794 159 2HG LYS 19 2HG LYS 19 -0.993 -1.640 9.253 160 1HD LYS 19 1HD LYS 19 -2.732 -2.000 7.465 161 2HD LYS 19 2HD LYS 19 -3.129 -3.528 8.255 162 1HE LYS 19 1HE LYS 19 -3.353 -0.757 9.435 163 2HE LYS 19 2HE LYS 19 -4.678 -1.827 8.986 164 1HZ LYS 19 1HZ LYS 19 -2.712 -2.275 11.169 165 2HZ LYS 19 2HZ LYS 19 -3.896 -3.386 10.705 166 3HZ LYS 19 3HZ LYS 19 -4.350 -1.890 11.345 167 H ASP 20 H ASP 20 2.258 -5.527 7.778 168 HA ASP 20 HA ASP 20 2.595 -7.606 8.618 169 1HB ASP 20 1HB ASP 20 2.173 -6.181 11.260 170 2HB ASP 20 2HB ASP 20 2.704 -7.852 11.123 171 H LEU 21 H LEU 21 -0.155 -6.585 7.992 172 HA LEU 21 HA LEU 21 -1.790 -8.298 9.751 173 1HB LEU 21 1HB LEU 21 -2.237 -5.752 9.425 174 2HB LEU 21 2HB LEU 21 -2.872 -6.210 7.859 175 HG LEU 21 HG LEU 21 -3.936 -7.224 10.509 176 1HD1 LEU 21 1HD1 LEU 21 -4.325 -4.826 10.268 177 2HD1 LEU 21 2HD1 LEU 21 -5.832 -5.728 10.124 178 3HD1 LEU 21 3HD1 LEU 21 -5.047 -5.091 8.679 179 1HD2 LEU 21 1HD2 LEU 21 -5.863 -7.985 9.186 180 2HD2 LEU 21 2HD2 LEU 21 -4.372 -8.785 8.696 181 3HD2 LEU 21 3HD2 LEU 21 -5.039 -7.486 7.707 182 H GLU 22 H GLU 22 -2.637 -10.096 8.935 183 HA GLU 22 HA GLU 22 -3.063 -10.317 6.028 184 1HB GLU 22 1HB GLU 22 -1.036 -11.604 6.659 185 2HB GLU 22 2HB GLU 22 -1.983 -12.503 7.836 186 1HG GLU 22 1HG GLU 22 -3.355 -13.431 6.038 187 2HG GLU 22 2HG GLU 22 -2.427 -12.513 4.852 188 H GLU 23 H GLU 23 -5.196 -10.525 5.712 189 HA GLU 23 HA GLU 23 -6.776 -12.097 7.631 190 1HB GLU 23 1HB GLU 23 -6.891 -9.583 8.112 191 2HB GLU 23 2HB GLU 23 -7.705 -9.429 6.572 192 1HG GLU 23 1HG GLU 23 -9.274 -9.485 8.443 193 2HG GLU 23 2HG GLU 23 -9.524 -10.815 7.316 194 H LEU 24 H LEU 24 -8.848 -12.751 6.821 195 HA LEU 24 HA LEU 24 -8.840 -13.433 4.020 196 1HB LEU 24 1HB LEU 24 -10.980 -13.854 6.123 197 2HB LEU 24 2HB LEU 24 -10.942 -14.599 4.535 198 HG LEU 24 HG LEU 24 -8.936 -15.086 6.747 199 1HD1 LEU 24 1HD1 LEU 24 -11.121 -16.047 7.248 200 2HD1 LEU 24 2HD1 LEU 24 -9.939 -17.305 6.894 201 3HD1 LEU 24 3HD1 LEU 24 -11.137 -16.855 5.680 202 1HD2 LEU 24 1HD2 LEU 24 -8.078 -16.868 5.306 203 2HD2 LEU 24 2HD2 LEU 24 -7.925 -15.291 4.532 204 3HD2 LEU 24 3HD2 LEU 24 -9.208 -16.394 4.036 205 H ILE 25 H ILE 25 -10.216 -12.645 2.451 206 HA ILE 25 HA ILE 25 -11.429 -10.047 2.976 207 HB ILE 25 HB ILE 25 -11.093 -11.572 0.377 208 1HG1 ILE 25 1HG1 ILE 25 -9.529 -9.221 1.497 209 2HG1 ILE 25 2HG1 ILE 25 -8.949 -10.880 1.408 210 1HG2 ILE 25 1HG2 ILE 25 -12.983 -10.037 0.280 211 2HG2 ILE 25 2HG2 ILE 25 -11.655 -9.448 -0.719 212 3HG2 ILE 25 3HG2 ILE 25 -11.964 -8.717 0.857 213 1HD1 ILE 25 1HD1 ILE 25 -9.071 -10.780 -1.035 214 2HD1 ILE 25 2HD1 ILE 25 -8.007 -9.543 -0.367 215 3HD1 ILE 25 3HD1 ILE 25 -9.619 -9.106 -0.928 216 H VAL 26 H VAL 26 -13.556 -9.823 3.365 217 HA VAL 26 HA VAL 26 -15.322 -12.125 2.817 218 HB VAL 26 HB VAL 26 -16.763 -11.277 4.643 219 1HG1 VAL 26 1HG1 VAL 26 -15.095 -12.994 5.118 220 2HG1 VAL 26 2HG1 VAL 26 -15.291 -11.917 6.502 221 3HG1 VAL 26 3HG1 VAL 26 -13.886 -11.750 5.447 222 1HG2 VAL 26 1HG2 VAL 26 -14.540 -9.278 5.104 223 2HG2 VAL 26 2HG2 VAL 26 -15.926 -9.540 6.164 224 3HG2 VAL 26 3HG2 VAL 26 -16.168 -8.906 4.535 225 H GLU 27 H GLU 27 -14.898 -8.714 2.269 226 HA GLU 27 HA GLU 27 -17.450 -8.634 0.792 227 1HB GLU 27 1HB GLU 27 -16.377 -6.646 2.781 228 2HB GLU 27 2HB GLU 27 -17.506 -6.149 1.535 229 1HG GLU 27 1HG GLU 27 -18.044 -8.334 3.538 230 2HG GLU 27 2HG GLU 27 -18.547 -6.655 3.735 231 H MET 28 H MET 28 -16.690 -8.692 -1.249 232 HA MET 28 HA MET 28 -14.443 -6.959 -2.016 233 1HB MET 28 1HB MET 28 -15.808 -9.024 -3.753 234 2HB MET 28 2HB MET 28 -14.226 -8.297 -3.985 235 1HG MET 28 1HG MET 28 -13.923 -10.540 -3.258 236 2HG MET 28 2HG MET 28 -13.456 -9.474 -1.934 237 1HE MET 28 1HE MET 28 -15.054 -12.740 -0.281 238 2HE MET 28 2HE MET 28 -13.572 -11.800 -0.460 239 3HE MET 28 3HE MET 28 -14.222 -12.693 -1.836 240 H GLU 29 H GLU 29 -14.622 -5.551 -3.822 241 HA GLU 29 HA GLU 29 -17.138 -4.348 -4.379 242 1HB GLU 29 1HB GLU 29 -15.206 -2.997 -4.699 243 2HB GLU 29 2HB GLU 29 -14.415 -4.218 -5.682 244 1HG GLU 29 1HG GLU 29 -15.114 -2.353 -7.047 245 2HG GLU 29 2HG GLU 29 -16.005 -3.804 -7.492 246 H ASN 30 H ASN 30 -15.010 -6.440 -6.290 247 HA ASN 30 HA ASN 30 -17.223 -7.111 -8.090 248 1HB ASN 30 1HB ASN 30 -15.015 -6.444 -9.046 249 2HB ASN 30 2HB ASN 30 -14.285 -7.838 -8.268 250 1HD2 ASN 30 1HD2 ASN 30 -13.610 -8.772 -10.147 251 2HD2 ASN 30 2HD2 ASN 30 -14.694 -9.456 -11.312 252 HA PRO 31 HA PRO 31 -18.340 -10.787 -5.858 253 1HB PRO 31 1HB PRO 31 -18.669 -12.319 -8.242 254 2HB PRO 31 2HB PRO 31 -19.921 -11.464 -7.338 255 1HG PRO 31 1HG PRO 31 -18.351 -10.571 -9.719 256 2HG PRO 31 2HG PRO 31 -20.049 -10.244 -9.302 257 1HD PRO 31 1HD PRO 31 -18.232 -8.350 -9.007 258 2HD PRO 31 2HD PRO 31 -19.440 -8.591 -7.728 259 H ALA 32 H ALA 32 -16.069 -11.120 -8.582 260 HA ALA 32 HA ALA 32 -14.932 -13.562 -7.674 261 1HB ALA 32 1HB ALA 32 -14.776 -12.856 -10.008 262 2HB ALA 32 2HB ALA 32 -13.172 -13.123 -9.326 263 3HB ALA 32 3HB ALA 32 -13.778 -11.479 -9.538 264 H LEU 33 H LEU 33 -13.422 -10.338 -7.831 265 HA LEU 33 HA LEU 33 -12.671 -10.089 -5.173 266 1HB LEU 33 1HB LEU 33 -10.892 -11.833 -6.717 267 2HB LEU 33 2HB LEU 33 -10.041 -10.464 -6.032 268 HG LEU 33 HG LEU 33 -11.640 -12.520 -4.492 269 1HD1 LEU 33 1HD1 LEU 33 -9.510 -13.369 -5.300 270 2HD1 LEU 33 2HD1 LEU 33 -9.469 -13.146 -3.552 271 3HD1 LEU 33 3HD1 LEU 33 -8.673 -11.978 -4.609 272 1HD2 LEU 33 1HD2 LEU 33 -10.845 -11.386 -2.481 273 2HD2 LEU 33 2HD2 LEU 33 -11.832 -10.306 -3.466 274 3HD2 LEU 33 3HD2 LEU 33 -10.076 -10.144 -3.473 275 H TRP 34 H TRP 34 -10.764 -9.711 -8.144 276 HA TRP 34 HA TRP 34 -9.946 -7.074 -7.423 277 1HB TRP 34 1HB TRP 34 -9.623 -8.512 -10.071 278 2HB TRP 34 2HB TRP 34 -8.715 -7.102 -9.531 279 HD1 TRP 34 HD1 TRP 34 -9.191 -10.827 -8.576 280 HE1 TRP 34 HE1 TRP 34 -7.022 -11.655 -7.485 281 HE3 TRP 34 HE3 TRP 34 -6.607 -6.424 -8.469 282 HZ2 TRP 34 HZ2 TRP 34 -4.544 -10.593 -6.676 283 HZ3 TRP 34 HZ3 TRP 34 -4.342 -6.415 -7.517 284 HH2 TRP 34 HH2 TRP 34 -3.332 -8.458 -6.638 285 H GLY 35 H GLY 35 -10.561 -5.115 -8.241 286 1HA GLY 35 1HA GLY 35 -11.883 -4.310 -10.403 287 2HA GLY 35 2HA GLY 35 -13.198 -5.042 -9.495 288 H GLY 36 H GLY 36 -11.797 -4.192 -6.945 289 1HA GLY 36 1HA GLY 36 -11.541 -1.422 -6.797 290 2HA GLY 36 2HA GLY 36 -13.242 -1.795 -6.545 291 H LYS 37 H LYS 37 -13.522 -1.455 -4.410 292 HA LYS 37 HA LYS 37 -11.510 -1.896 -2.480 293 1HB LYS 37 1HB LYS 37 -13.338 -1.471 -0.810 294 2HB LYS 37 2HB LYS 37 -13.135 -0.219 -2.022 295 1HG LYS 37 1HG LYS 37 -15.448 -0.443 -1.803 296 2HG LYS 37 2HG LYS 37 -15.065 -1.330 -3.274 297 1HD LYS 37 1HD LYS 37 -16.694 -2.540 -1.904 298 2HD LYS 37 2HD LYS 37 -15.191 -3.447 -2.039 299 1HE LYS 37 1HE LYS 37 -14.524 -2.732 0.187 300 2HE LYS 37 2HE LYS 37 -15.960 -1.716 0.316 301 1HZ LYS 37 1HZ LYS 37 -15.965 -4.677 0.069 302 2HZ LYS 37 2HZ LYS 37 -17.338 -3.698 0.211 303 3HZ LYS 37 3HZ LYS 37 -16.239 -3.807 1.493 304 H VAL 38 H VAL 38 -11.234 -3.444 -0.951 305 HA VAL 38 HA VAL 38 -13.102 -5.698 -0.829 306 HB VAL 38 HB VAL 38 -11.206 -7.290 -0.571 307 1HG1 VAL 38 1HG1 VAL 38 -11.237 -5.830 -3.215 308 2HG1 VAL 38 2HG1 VAL 38 -12.347 -7.108 -2.719 309 3HG1 VAL 38 3HG1 VAL 38 -10.635 -7.468 -2.946 310 1HG2 VAL 38 1HG2 VAL 38 -9.495 -4.975 -1.496 311 2HG2 VAL 38 2HG2 VAL 38 -8.953 -6.644 -1.321 312 3HG2 VAL 38 3HG2 VAL 38 -9.456 -5.729 0.099 313 H THR 39 H THR 39 -13.445 -6.410 1.236 314 HA THR 39 HA THR 39 -12.128 -4.832 3.348 315 HB THR 39 HB THR 39 -14.869 -6.109 3.436 316 HG1 THR 39 HG1 THR 39 -15.421 -3.720 3.353 317 1HG2 THR 39 1HG2 THR 39 -13.525 -4.111 5.271 318 2HG2 THR 39 2HG2 THR 39 -13.878 -5.798 5.649 319 3HG2 THR 39 3HG2 THR 39 -15.199 -4.656 5.403 320 H LEU 40 H LEU 40 -10.980 -5.873 4.807 321 HA LEU 40 HA LEU 40 -10.698 -8.716 4.823 322 1HB LEU 40 1HB LEU 40 -9.754 -6.665 6.845 323 2HB LEU 40 2HB LEU 40 -9.210 -8.326 6.744 324 HG LEU 40 HG LEU 40 -8.715 -6.160 4.714 325 1HD1 LEU 40 1HD1 LEU 40 -7.365 -5.912 6.709 326 2HD1 LEU 40 2HD1 LEU 40 -6.373 -6.399 5.337 327 3HD1 LEU 40 3HD1 LEU 40 -6.820 -7.584 6.565 328 1HD2 LEU 40 1HD2 LEU 40 -7.310 -7.809 3.549 329 2HD2 LEU 40 2HD2 LEU 40 -9.010 -8.274 3.565 330 3HD2 LEU 40 3HD2 LEU 40 -7.873 -9.056 4.664 331 H ALA 41 H ALA 41 -11.152 -10.107 6.647 332 HA ALA 41 HA ALA 41 -13.746 -9.863 7.709 333 1HB ALA 41 1HB ALA 41 -13.189 -11.821 9.064 334 2HB ALA 41 2HB ALA 41 -11.478 -11.606 8.688 335 3HB ALA 41 3HB ALA 41 -12.617 -12.020 7.407 336 H ASN 42 H ASN 42 -10.766 -8.553 8.707 337 HA ASN 42 HA ASN 42 -11.290 -8.119 11.466 338 1HB ASN 42 1HB ASN 42 -9.017 -8.001 10.585 339 2HB ASN 42 2HB ASN 42 -9.463 -6.672 9.522 340 1HD2 ASN 42 1HD2 ASN 42 -8.700 -7.619 12.767 341 2HD2 ASN 42 2HD2 ASN 42 -8.540 -6.022 13.417 342 H GLY 43 H GLY 43 -12.252 -6.534 8.533 343 1HA GLY 43 1HA GLY 43 -14.148 -5.022 8.560 344 2HA GLY 43 2HA GLY 43 -13.558 -4.385 10.092 345 H TRP 44 H TRP 44 -10.767 -4.613 8.868 346 HA TRP 44 HA TRP 44 -10.568 -1.927 7.946 347 1HB TRP 44 1HB TRP 44 -8.796 -3.347 9.181 348 2HB TRP 44 2HB TRP 44 -8.439 -4.047 7.606 349 HD1 TRP 44 HD1 TRP 44 -6.767 -2.722 6.110 350 HE1 TRP 44 HE1 TRP 44 -5.628 -0.418 6.274 351 HE3 TRP 44 HE3 TRP 44 -9.322 -0.834 10.115 352 HZ2 TRP 44 HZ2 TRP 44 -5.794 1.889 7.893 353 HZ3 TRP 44 HZ3 TRP 44 -8.771 1.427 10.907 354 HH2 TRP 44 HH2 TRP 44 -7.041 2.761 9.818 355 H GLN 45 H GLN 45 -10.195 -1.159 5.846 356 HA GLN 45 HA GLN 45 -10.899 -3.083 3.720 357 1HB GLN 45 1HB GLN 45 -11.548 -0.130 3.893 358 2HB GLN 45 2HB GLN 45 -11.949 -1.180 2.538 359 1HG GLN 45 1HG GLN 45 -13.339 -2.550 4.051 360 2HG GLN 45 2HG GLN 45 -12.988 -1.423 5.359 361 1HE2 GLN 45 1HE2 GLN 45 -13.510 -0.402 2.051 362 2HE2 GLN 45 2HE2 GLN 45 -15.040 0.357 2.323 363 H LEU 46 H LEU 46 -9.892 -2.983 1.768 364 HA LEU 46 HA LEU 46 -7.669 -1.098 1.379 365 1HB LEU 46 1HB LEU 46 -6.773 -3.265 2.217 366 2HB LEU 46 2HB LEU 46 -7.559 -4.091 0.886 367 HG LEU 46 HG LEU 46 -6.124 -2.771 -0.698 368 1HD1 LEU 46 1HD1 LEU 46 -5.611 -0.887 0.758 369 2HD1 LEU 46 2HD1 LEU 46 -4.135 -1.659 0.185 370 3HD1 LEU 46 3HD1 LEU 46 -4.696 -1.947 1.833 371 1HD2 LEU 46 1HD2 LEU 46 -5.557 -5.065 -0.085 372 2HD2 LEU 46 2HD2 LEU 46 -4.663 -4.483 1.320 373 3HD2 LEU 46 3HD2 LEU 46 -4.101 -4.094 -0.305 374 H GLU 47 H GLU 47 -7.406 -0.473 -0.798 375 HA GLU 47 HA GLU 47 -9.690 -1.150 -2.495 376 1HB GLU 47 1HB GLU 47 -9.073 1.238 -2.087 377 2HB GLU 47 2HB GLU 47 -7.569 0.958 -2.941 378 1HG GLU 47 1HG GLU 47 -8.717 0.527 -4.989 379 2HG GLU 47 2HG GLU 47 -10.279 0.534 -4.173 380 H LEU 48 H LEU 48 -9.427 -2.888 -3.676 381 HA LEU 48 HA LEU 48 -6.816 -3.844 -4.453 382 1HB LEU 48 1HB LEU 48 -8.759 -5.239 -3.564 383 2HB LEU 48 2HB LEU 48 -9.518 -5.017 -5.128 384 HG LEU 48 HG LEU 48 -7.619 -6.172 -6.209 385 1HD1 LEU 48 1HD1 LEU 48 -5.956 -7.333 -4.850 386 2HD1 LEU 48 2HD1 LEU 48 -6.635 -6.615 -3.388 387 3HD1 LEU 48 3HD1 LEU 48 -5.873 -5.589 -4.603 388 1HD2 LEU 48 1HD2 LEU 48 -9.590 -7.458 -5.532 389 2HD2 LEU 48 2HD2 LEU 48 -8.869 -7.742 -3.947 390 3HD2 LEU 48 3HD2 LEU 48 -8.119 -8.422 -5.393 391 HA PRO 49 HA PRO 49 -6.769 -1.750 -8.424 392 1HB PRO 49 1HB PRO 49 -5.086 -4.132 -9.113 393 2HB PRO 49 2HB PRO 49 -4.775 -2.413 -9.393 394 1HG PRO 49 1HG PRO 49 -3.530 -3.682 -7.423 395 2HG PRO 49 2HG PRO 49 -4.142 -2.033 -7.179 396 1HD PRO 49 1HD PRO 49 -5.270 -4.638 -6.223 397 2HD PRO 49 2HD PRO 49 -5.221 -3.062 -5.404 398 H ALA 50 H ALA 50 -7.813 -1.923 -10.360 399 HA ALA 50 HA ALA 50 -9.617 -4.171 -10.687 400 1HB ALA 50 1HB ALA 50 -9.361 -1.639 -12.317 401 2HB ALA 50 2HB ALA 50 -10.456 -1.883 -10.956 402 3HB ALA 50 3HB ALA 50 -10.661 -2.825 -12.432 403 H MET 51 H MET 51 -8.193 -5.829 -11.261 404 HA MET 51 HA MET 51 -7.384 -5.775 -14.088 405 1HB MET 51 1HB MET 51 -5.317 -6.997 -13.545 406 2HB MET 51 2HB MET 51 -5.348 -5.424 -12.764 407 1HG MET 51 1HG MET 51 -5.989 -6.484 -10.654 408 2HG MET 51 2HG MET 51 -5.963 -8.062 -11.440 409 1HE MET 51 1HE MET 51 -3.830 -4.978 -10.285 410 2HE MET 51 2HE MET 51 -3.465 -5.052 -12.009 411 3HE MET 51 3HE MET 51 -2.215 -5.432 -10.824 412 H ALA 52 H ALA 52 -6.301 -8.529 -13.841 413 HA ALA 52 HA ALA 52 -8.483 -10.074 -14.479 414 1HB ALA 52 1HB ALA 52 -5.969 -11.026 -13.093 415 2HB ALA 52 2HB ALA 52 -6.168 -10.797 -14.831 416 3HB ALA 52 3HB ALA 52 -7.101 -12.037 -13.993 417 H ALA 53 H ALA 53 -10.252 -10.520 -13.358 418 HA ALA 53 HA ALA 53 -10.544 -9.864 -10.633 419 1HB ALA 53 1HB ALA 53 -12.813 -10.700 -10.860 420 2HB ALA 53 2HB ALA 53 -12.389 -11.502 -12.374 421 3HB ALA 53 3HB ALA 53 -12.370 -9.742 -12.272 422 H ASP 54 H ASP 54 -9.755 -12.858 -12.228 423 HA ASP 54 HA ASP 54 -9.458 -14.101 -9.583 424 1HB ASP 54 1HB ASP 54 -11.499 -15.074 -10.397 425 2HB ASP 54 2HB ASP 54 -10.789 -15.383 -11.979 426 H THR 55 H THR 55 -7.271 -13.767 -9.654 427 HA THR 55 HA THR 55 -5.648 -14.850 -11.764 428 HB THR 55 HB THR 55 -3.751 -14.345 -10.202 429 HG1 THR 55 HG1 THR 55 -4.225 -14.140 -8.160 430 1HG2 THR 55 1HG2 THR 55 -4.536 -12.626 -11.762 431 2HG2 THR 55 2HG2 THR 55 -4.019 -11.898 -10.241 432 3HG2 THR 55 3HG2 THR 55 -5.738 -12.092 -10.586 433 HA PRO 56 HA PRO 56 -5.880 -19.025 -10.193 434 1HB PRO 56 1HB PRO 56 -3.919 -20.137 -11.710 435 2HB PRO 56 2HB PRO 56 -5.497 -19.693 -12.374 436 1HG PRO 56 1HG PRO 56 -2.906 -18.179 -12.479 437 2HG PRO 56 2HG PRO 56 -4.077 -18.477 -13.779 438 1HD PRO 56 1HD PRO 56 -3.995 -16.135 -12.428 439 2HD PRO 56 2HD PRO 56 -5.518 -16.822 -13.033 440 H LEU 57 H LEU 57 -3.326 -16.878 -9.772 441 HA LEU 57 HA LEU 57 -2.088 -18.576 -7.734 442 1HB LEU 57 1HB LEU 57 0.167 -17.672 -8.530 443 2HB LEU 57 2HB LEU 57 -0.585 -18.915 -9.507 444 HG LEU 57 HG LEU 57 -1.443 -17.020 -11.002 445 1HD1 LEU 57 1HD1 LEU 57 -1.085 -15.140 -9.521 446 2HD1 LEU 57 2HD1 LEU 57 -0.117 -14.948 -10.983 447 3HD1 LEU 57 3HD1 LEU 57 0.647 -15.467 -9.480 448 1HD2 LEU 57 1HD2 LEU 57 0.335 -18.527 -11.682 449 2HD2 LEU 57 2HD2 LEU 57 1.525 -17.540 -10.831 450 3HD2 LEU 57 3HD2 LEU 57 0.674 -16.885 -12.231 451 HA PRO 58 HA PRO 58 -2.072 -14.837 -5.290 452 1HB PRO 58 1HB PRO 58 0.270 -15.117 -3.895 453 2HB PRO 58 2HB PRO 58 -1.204 -16.013 -3.511 454 1HG PRO 58 1HG PRO 58 1.191 -16.893 -5.084 455 2HG PRO 58 2HG PRO 58 0.273 -17.782 -3.853 456 1HD PRO 58 1HD PRO 58 -0.088 -18.221 -6.490 457 2HD PRO 58 2HD PRO 58 -1.430 -18.323 -5.331 458 H ILE 59 H ILE 59 -1.414 -12.764 -5.636 459 HA ILE 59 HA ILE 59 1.055 -12.297 -7.161 460 HB ILE 59 HB ILE 59 -0.654 -12.444 -8.853 461 1HG1 ILE 59 1HG1 ILE 59 0.029 -9.539 -8.297 462 2HG1 ILE 59 2HG1 ILE 59 1.030 -10.686 -9.179 463 1HG2 ILE 59 1HG2 ILE 59 -2.615 -12.095 -7.455 464 2HG2 ILE 59 2HG2 ILE 59 -2.651 -11.028 -8.857 465 3HG2 ILE 59 3HG2 ILE 59 -2.205 -10.389 -7.274 466 1HD1 ILE 59 1HD1 ILE 59 -1.675 -9.672 -10.030 467 2HD1 ILE 59 2HD1 ILE 59 -0.690 -10.840 -10.913 468 3HD1 ILE 59 3HD1 ILE 59 -0.114 -9.187 -10.694 469 H THR 60 H THR 60 2.013 -10.323 -6.824 470 HA THR 60 HA THR 60 1.033 -8.802 -4.520 471 HB THR 60 HB THR 60 3.743 -8.753 -5.878 472 HG1 THR 60 HG1 THR 60 3.775 -10.637 -4.837 473 1HG2 THR 60 1HG2 THR 60 2.836 -7.550 -3.255 474 2HG2 THR 60 2HG2 THR 60 3.235 -6.652 -4.721 475 3HG2 THR 60 3HG2 THR 60 4.488 -7.557 -3.873 476 H VAL 61 H VAL 61 0.348 -6.726 -4.707 477 HA VAL 61 HA VAL 61 0.708 -5.302 -7.248 478 HB VAL 61 HB VAL 61 -1.710 -4.709 -7.299 479 1HG1 VAL 61 1HG1 VAL 61 -0.833 -6.489 -8.741 480 2HG1 VAL 61 2HG1 VAL 61 -2.497 -6.811 -8.253 481 3HG1 VAL 61 3HG1 VAL 61 -1.168 -7.677 -7.480 482 1HG2 VAL 61 1HG2 VAL 61 -2.237 -5.127 -4.946 483 2HG2 VAL 61 2HG2 VAL 61 -1.974 -6.855 -5.182 484 3HG2 VAL 61 3HG2 VAL 61 -3.309 -6.046 -6.002 485 H GLU 62 H GLU 62 -0.533 -3.114 -7.037 486 HA GLU 62 HA GLU 62 0.664 -1.546 -5.030 487 1HB GLU 62 1HB GLU 62 0.033 -0.672 -7.228 488 2HB GLU 62 2HB GLU 62 -1.663 -0.973 -6.887 489 1HG GLU 62 1HG GLU 62 -1.149 1.378 -6.675 490 2HG GLU 62 2HG GLU 62 -1.611 0.704 -5.113 491 H ALA 63 H ALA 63 -0.067 -0.784 -3.088 492 HA ALA 63 HA ALA 63 -2.700 -1.746 -2.147 493 1HB ALA 63 1HB ALA 63 -1.817 -1.536 0.114 494 2HB ALA 63 2HB ALA 63 -0.305 -0.881 -0.516 495 3HB ALA 63 3HB ALA 63 -0.757 -2.548 -0.866 496 H ARG 64 H ARG 64 -4.259 -0.292 -1.974 497 HA ARG 64 HA ARG 64 -3.571 2.495 -1.270 498 1HB ARG 64 1HB ARG 64 -4.420 2.172 -3.626 499 2HB ARG 64 2HB ARG 64 -5.918 1.564 -2.957 500 1HG ARG 64 1HG ARG 64 -4.869 4.337 -2.409 501 2HG ARG 64 2HG ARG 64 -5.936 3.954 -3.755 502 1HD ARG 64 1HD ARG 64 -7.483 2.953 -1.919 503 2HD ARG 64 2HD ARG 64 -6.514 3.924 -0.811 504 HE ARG 64 HE ARG 64 -7.828 5.172 -3.131 505 1HH1 ARG 64 1HH1 ARG 64 -7.407 4.937 0.341 506 2HH1 ARG 64 2HH1 ARG 64 -8.386 6.329 0.681 507 1HH2 ARG 64 1HH2 ARG 64 -9.125 6.990 -2.687 508 2HH2 ARG 64 2HH2 ARG 64 -9.358 7.502 -1.045 509 H LYS 65 H LYS 65 -3.972 2.529 0.873 510 HA LYS 65 HA LYS 65 -5.799 0.828 2.205 511 1HB LYS 65 1HB LYS 65 -3.779 1.924 3.247 512 2HB LYS 65 2HB LYS 65 -4.665 3.444 3.234 513 1HG LYS 65 1HG LYS 65 -6.459 2.144 4.574 514 2HG LYS 65 2HG LYS 65 -5.169 0.978 4.865 515 1HD LYS 65 1HD LYS 65 -5.196 2.483 6.716 516 2HD LYS 65 2HD LYS 65 -3.777 2.882 5.748 517 1HE LYS 65 1HE LYS 65 -4.882 4.785 4.796 518 2HE LYS 65 2HE LYS 65 -6.423 4.320 5.516 519 1HZ LYS 65 1HZ LYS 65 -5.482 4.710 7.703 520 2HZ LYS 65 2HZ LYS 65 -5.368 6.102 6.751 521 3HZ LYS 65 3HZ LYS 65 -3.999 5.149 7.019 522 H LEU 66 H LEU 66 -7.843 1.216 3.051 523 HA LEU 66 HA LEU 66 -9.170 3.696 2.161 524 1HB LEU 66 1HB LEU 66 -10.363 0.974 2.735 525 2HB LEU 66 2HB LEU 66 -11.292 2.406 2.329 526 HG LEU 66 HG LEU 66 -9.309 1.003 0.526 527 1HD1 LEU 66 1HD1 LEU 66 -12.319 1.195 0.390 528 2HD1 LEU 66 2HD1 LEU 66 -11.383 -0.242 0.799 529 3HD1 LEU 66 3HD1 LEU 66 -11.276 0.447 -0.819 530 1HD2 LEU 66 1HD2 LEU 66 -11.040 3.425 0.003 531 2HD2 LEU 66 2HD2 LEU 66 -10.078 2.570 -1.204 532 3HD2 LEU 66 3HD2 LEU 66 -9.280 3.404 0.128 Start of MODEL 10 1 H MET 1 H MET 1 4.480 0.906 -1.724 2 HA MET 1 HA MET 1 2.384 0.472 0.320 3 1HB MET 1 1HB MET 1 2.141 1.105 -2.637 4 2HB MET 1 2HB MET 1 0.808 0.844 -1.522 5 1HG MET 1 1HG MET 1 1.432 2.849 -0.286 6 2HG MET 1 2HG MET 1 2.798 3.099 -1.371 7 1HE MET 1 1HE MET 1 2.148 5.520 -2.078 8 2HE MET 1 2HE MET 1 0.855 5.450 -0.879 9 3HE MET 1 3HE MET 1 0.509 6.006 -2.515 10 H LYS 2 H LYS 2 3.022 -1.645 0.761 11 HA LYS 2 HA LYS 2 3.109 -3.505 -1.533 12 1HB LYS 2 1HB LYS 2 5.243 -3.177 -0.229 13 2HB LYS 2 2HB LYS 2 4.426 -3.848 1.174 14 1HG LYS 2 1HG LYS 2 5.702 -5.602 0.241 15 2HG LYS 2 2HG LYS 2 4.025 -5.932 -0.187 16 1HD LYS 2 1HD LYS 2 5.431 -6.351 -2.106 17 2HD LYS 2 2HD LYS 2 4.432 -4.931 -2.421 18 1HE LYS 2 1HE LYS 2 6.307 -3.468 -1.903 19 2HE LYS 2 2HE LYS 2 7.306 -4.860 -1.486 20 1HZ LYS 2 1HZ LYS 2 7.800 -4.084 -3.705 21 2HZ LYS 2 2HZ LYS 2 6.185 -4.264 -4.169 22 3HZ LYS 2 3HZ LYS 2 7.107 -5.627 -3.781 23 H VAL 3 H VAL 3 1.283 -4.659 -1.670 24 HA VAL 3 HA VAL 3 0.353 -6.031 0.755 25 HB VAL 3 HB VAL 3 -1.209 -4.153 0.390 26 1HG1 VAL 3 1HG1 VAL 3 -1.766 -5.440 -2.286 27 2HG1 VAL 3 2HG1 VAL 3 -0.981 -3.883 -2.020 28 3HG1 VAL 3 3HG1 VAL 3 -2.674 -4.105 -1.578 29 1HG2 VAL 3 1HG2 VAL 3 -2.044 -6.212 1.394 30 2HG2 VAL 3 2HG2 VAL 3 -2.416 -6.861 -0.204 31 3HG2 VAL 3 3HG2 VAL 3 -3.291 -5.455 0.402 32 H MET 4 H MET 4 0.139 -8.149 0.451 33 HA MET 4 HA MET 4 0.394 -9.190 -2.285 34 1HB MET 4 1HB MET 4 2.131 -9.897 -0.710 35 2HB MET 4 2HB MET 4 0.911 -10.509 0.396 36 1HG MET 4 1HG MET 4 0.278 -12.225 -1.172 37 2HG MET 4 2HG MET 4 1.370 -11.569 -2.385 38 1HE MET 4 1HE MET 4 3.327 -14.800 -1.625 39 2HE MET 4 2HE MET 4 2.777 -13.678 -2.869 40 3HE MET 4 3HE MET 4 1.599 -14.568 -1.904 41 H ILE 5 H ILE 5 -1.515 -9.702 -3.193 42 HA ILE 5 HA ILE 5 -3.803 -10.433 -1.601 43 HB ILE 5 HB ILE 5 -3.458 -10.592 -4.611 44 1HG1 ILE 5 1HG1 ILE 5 -3.139 -8.296 -3.833 45 2HG1 ILE 5 2HG1 ILE 5 -4.689 -8.438 -4.653 46 1HG2 ILE 5 1HG2 ILE 5 -5.954 -10.632 -2.900 47 2HG2 ILE 5 2HG2 ILE 5 -5.288 -11.989 -3.810 48 3HG2 ILE 5 3HG2 ILE 5 -5.923 -10.583 -4.664 49 1HD1 ILE 5 1HD1 ILE 5 -4.255 -8.366 -1.673 50 2HD1 ILE 5 2HD1 ILE 5 -5.814 -8.544 -2.477 51 3HD1 ILE 5 3HD1 ILE 5 -4.884 -7.060 -2.678 52 H ARG 6 H ARG 6 -4.176 -12.400 -0.860 53 HA ARG 6 HA ARG 6 -2.432 -14.571 -1.760 54 1HB ARG 6 1HB ARG 6 -4.165 -14.308 0.712 55 2HB ARG 6 2HB ARG 6 -3.055 -15.632 0.378 56 1HG ARG 6 1HG ARG 6 -2.164 -12.761 0.603 57 2HG ARG 6 2HG ARG 6 -2.223 -13.863 1.975 58 1HD ARG 6 1HD ARG 6 -0.635 -14.315 -0.550 59 2HD ARG 6 2HD ARG 6 0.023 -13.710 0.972 60 HE ARG 6 HE ARG 6 -1.350 -16.222 1.253 61 1HH1 ARG 6 1HH1 ARG 6 1.712 -14.691 0.519 62 2HH1 ARG 6 2HH1 ARG 6 2.648 -16.117 0.836 63 1HH2 ARG 6 1HH2 ARG 6 -0.108 -18.088 1.720 64 2HH2 ARG 6 2HH2 ARG 6 1.616 -18.044 1.521 65 H LYS 7 H LYS 7 -3.217 -16.011 -3.115 66 HA LYS 7 HA LYS 7 -6.118 -16.464 -3.247 67 1HB LYS 7 1HB LYS 7 -4.003 -17.164 -5.302 68 2HB LYS 7 2HB LYS 7 -5.743 -17.314 -5.501 69 1HG LYS 7 1HG LYS 7 -4.177 -14.752 -5.220 70 2HG LYS 7 2HG LYS 7 -4.938 -15.371 -6.684 71 1HD LYS 7 1HD LYS 7 -6.355 -14.474 -4.165 72 2HD LYS 7 2HD LYS 7 -6.290 -13.601 -5.696 73 1HE LYS 7 1HE LYS 7 -7.612 -16.269 -5.190 74 2HE LYS 7 2HE LYS 7 -8.421 -14.733 -5.475 75 1HZ LYS 7 1HZ LYS 7 -7.284 -14.729 -7.697 76 2HZ LYS 7 2HZ LYS 7 -8.473 -15.907 -7.494 77 3HZ LYS 7 3HZ LYS 7 -6.842 -16.333 -7.401 78 H THR 8 H THR 8 -6.808 -18.228 -2.283 79 HA THR 8 HA THR 8 -5.303 -20.727 -2.534 80 HB THR 8 HB THR 8 -6.380 -19.675 0.107 81 HG1 THR 8 HG1 THR 8 -3.941 -19.474 -1.121 82 1HG2 THR 8 1HG2 THR 8 -4.882 -22.235 -0.504 83 2HG2 THR 8 2HG2 THR 8 -6.585 -22.117 -0.059 84 3HG2 THR 8 3HG2 THR 8 -5.337 -21.667 1.102 85 H ALA 9 H ALA 9 -6.677 -22.619 -2.211 86 HA ALA 9 HA ALA 9 -9.123 -22.599 -3.446 87 1HB ALA 9 1HB ALA 9 -7.865 -24.646 -2.954 88 2HB ALA 9 2HB ALA 9 -9.542 -24.785 -2.429 89 3HB ALA 9 3HB ALA 9 -8.269 -24.489 -1.244 90 H THR 10 H THR 10 -10.780 -21.366 -2.971 91 HA THR 10 HA THR 10 -12.478 -20.306 -1.985 92 HB THR 10 HB THR 10 -13.498 -21.136 0.097 93 HG1 THR 10 HG1 THR 10 -11.369 -21.855 0.999 94 1HG2 THR 10 1HG2 THR 10 -12.747 -23.326 -1.844 95 2HG2 THR 10 2HG2 THR 10 -14.075 -22.181 -2.038 96 3HG2 THR 10 3HG2 THR 10 -14.110 -23.360 -0.726 97 H GLY 11 H GLY 11 -9.727 -20.745 0.209 98 1HA GLY 11 1HA GLY 11 -10.382 -18.557 1.898 99 2HA GLY 11 2HA GLY 11 -8.834 -19.381 1.811 100 H HIS 12 H HIS 12 -10.596 -16.594 0.966 101 HA HIS 12 HA HIS 12 -8.367 -15.578 -0.675 102 1HB HIS 12 1HB HIS 12 -11.074 -14.294 -0.193 103 2HB HIS 12 2HB HIS 12 -9.863 -13.798 -1.371 104 HD1 HIS 12 HD1 HIS 12 -12.870 -15.758 -1.060 105 HD2 HIS 12 HD2 HIS 12 -9.455 -15.895 -3.432 106 HE1 HIS 12 HE1 HIS 12 -13.469 -17.204 -3.026 107 HE2 HIS 12 HE2 HIS 12 -11.318 -17.454 -4.315 108 H SER 13 H SER 13 -6.899 -14.359 0.358 109 HA SER 13 HA SER 13 -7.799 -12.635 2.554 110 1HB SER 13 1HB SER 13 -5.721 -13.270 3.840 111 2HB SER 13 2HB SER 13 -6.919 -14.558 3.708 112 HG SER 13 HG SER 13 -4.506 -14.907 3.199 113 H ALA 14 H ALA 14 -6.247 -10.910 3.044 114 HA ALA 14 HA ALA 14 -4.433 -10.317 0.798 115 1HB ALA 14 1HB ALA 14 -6.512 -8.982 0.602 116 2HB ALA 14 2HB ALA 14 -5.076 -7.987 0.845 117 3HB ALA 14 3HB ALA 14 -6.180 -8.281 2.187 118 H TYR 15 H TYR 15 -2.445 -10.247 1.526 119 HA TYR 15 HA TYR 15 -1.905 -9.830 4.345 120 1HB TYR 15 1HB TYR 15 -0.762 -11.667 3.266 121 2HB TYR 15 2HB TYR 15 -0.132 -10.605 2.016 122 HD1 TYR 15 HD1 TYR 15 2.070 -9.934 2.213 123 HD2 TYR 15 HD2 TYR 15 -0.083 -10.899 5.758 124 HE1 TYR 15 HE1 TYR 15 4.102 -9.567 3.543 125 HE2 TYR 15 HE2 TYR 15 1.948 -10.535 7.095 126 HH TYR 15 HH TYR 15 4.295 -10.417 6.899 127 H VAL 16 H VAL 16 -2.031 -7.742 4.879 128 HA VAL 16 HA VAL 16 -0.969 -5.598 3.306 129 HB VAL 16 HB VAL 16 -1.725 -5.613 6.245 130 1HG1 VAL 16 1HG1 VAL 16 -0.329 -3.708 5.660 131 2HG1 VAL 16 2HG1 VAL 16 -1.985 -3.184 5.964 132 3HG1 VAL 16 3HG1 VAL 16 -1.392 -3.317 4.309 133 1HG2 VAL 16 1HG2 VAL 16 -3.887 -4.701 5.517 134 2HG2 VAL 16 2HG2 VAL 16 -3.608 -6.314 4.860 135 3HG2 VAL 16 3HG2 VAL 16 -3.401 -4.894 3.832 136 H ALA 17 H ALA 17 1.164 -6.067 2.893 137 HA ALA 17 HA ALA 17 2.971 -7.242 4.658 138 1HB ALA 17 1HB ALA 17 3.589 -5.473 2.295 139 2HB ALA 17 2HB ALA 17 3.279 -7.208 2.236 140 3HB ALA 17 3HB ALA 17 4.704 -6.594 3.074 141 H LYS 18 H LYS 18 2.188 -3.848 4.166 142 HA LYS 18 HA LYS 18 4.468 -2.809 5.484 143 1HB LYS 18 1HB LYS 18 3.241 -0.667 5.533 144 2HB LYS 18 2HB LYS 18 3.231 -1.419 3.949 145 1HG LYS 18 1HG LYS 18 1.065 -0.644 4.147 146 2HG LYS 18 2HG LYS 18 0.905 -2.327 4.639 147 1HD LYS 18 1HD LYS 18 -0.358 -0.855 6.127 148 2HD LYS 18 2HD LYS 18 0.956 -1.646 6.998 149 1HE LYS 18 1HE LYS 18 2.314 0.389 6.788 150 2HE LYS 18 2HE LYS 18 0.999 1.176 5.915 151 1HZ LYS 18 1HZ LYS 18 1.058 1.791 8.261 152 2HZ LYS 18 2HZ LYS 18 0.834 0.177 8.706 153 3HZ LYS 18 3HZ LYS 18 -0.383 0.998 7.870 154 H LYS 19 H LYS 19 1.766 -4.410 6.726 155 HA LYS 19 HA LYS 19 2.432 -3.443 9.435 156 1HB LYS 19 1HB LYS 19 0.176 -2.648 8.621 157 2HB LYS 19 2HB LYS 19 -0.326 -4.332 8.547 158 1HG LYS 19 1HG LYS 19 0.325 -4.457 11.018 159 2HG LYS 19 2HG LYS 19 0.374 -2.694 10.968 160 1HD LYS 19 1HD LYS 19 -1.971 -2.654 10.240 161 2HD LYS 19 2HD LYS 19 -2.014 -4.419 10.283 162 1HE LYS 19 1HE LYS 19 -1.648 -2.530 12.608 163 2HE LYS 19 2HE LYS 19 -3.008 -3.611 12.307 164 1HZ LYS 19 1HZ LYS 19 -1.568 -4.535 13.979 165 2HZ LYS 19 2HZ LYS 19 -0.226 -4.418 12.963 166 3HZ LYS 19 3HZ LYS 19 -1.471 -5.496 12.589 167 H ASP 20 H ASP 20 2.398 -6.029 7.336 168 HA ASP 20 HA ASP 20 2.747 -8.264 7.542 169 1HB ASP 20 1HB ASP 20 4.384 -7.627 9.289 170 2HB ASP 20 2HB ASP 20 3.109 -7.664 10.497 171 H LEU 21 H LEU 21 0.116 -6.851 8.062 172 HA LEU 21 HA LEU 21 -1.353 -8.746 9.715 173 1HB LEU 21 1HB LEU 21 -1.872 -6.396 9.969 174 2HB LEU 21 2HB LEU 21 -2.162 -6.221 8.251 175 HG LEU 21 HG LEU 21 -3.902 -8.085 9.845 176 1HD1 LEU 21 1HD1 LEU 21 -3.877 -6.018 11.144 177 2HD1 LEU 21 2HD1 LEU 21 -5.432 -6.243 10.343 178 3HD1 LEU 21 3HD1 LEU 21 -4.265 -5.090 9.694 179 1HD2 LEU 21 1HD2 LEU 21 -4.401 -6.315 7.440 180 2HD2 LEU 21 2HD2 LEU 21 -5.588 -7.383 8.191 181 3HD2 LEU 21 3HD2 LEU 21 -4.159 -8.062 7.416 182 H GLU 22 H GLU 22 -2.594 -10.376 8.930 183 HA GLU 22 HA GLU 22 -3.394 -10.285 6.102 184 1HB GLU 22 1HB GLU 22 -1.462 -11.874 6.367 185 2HB GLU 22 2HB GLU 22 -2.450 -12.820 7.476 186 1HG GLU 22 1HG GLU 22 -4.138 -13.029 5.605 187 2HG GLU 22 2HG GLU 22 -2.920 -12.332 4.539 188 H GLU 23 H GLU 23 -5.529 -10.084 6.189 189 HA GLU 23 HA GLU 23 -7.030 -11.777 8.085 190 1HB GLU 23 1HB GLU 23 -7.723 -9.062 6.949 191 2HB GLU 23 2HB GLU 23 -8.890 -10.083 7.775 192 1HG GLU 23 1HG GLU 23 -6.382 -8.899 8.956 193 2HG GLU 23 2HG GLU 23 -8.043 -8.394 9.262 194 H LEU 24 H LEU 24 -9.087 -12.563 7.321 195 HA LEU 24 HA LEU 24 -9.021 -13.442 4.593 196 1HB LEU 24 1HB LEU 24 -11.097 -13.754 6.768 197 2HB LEU 24 2HB LEU 24 -11.247 -14.468 5.172 198 HG LEU 24 HG LEU 24 -9.087 -15.101 7.195 199 1HD1 LEU 24 1HD1 LEU 24 -10.157 -17.297 7.315 200 2HD1 LEU 24 2HD1 LEU 24 -11.429 -16.743 6.225 201 3HD1 LEU 24 3HD1 LEU 24 -11.257 -16.014 7.823 202 1HD2 LEU 24 1HD2 LEU 24 -8.421 -16.861 5.612 203 2HD2 LEU 24 2HD2 LEU 24 -8.223 -15.248 4.929 204 3HD2 LEU 24 3HD2 LEU 24 -9.595 -16.246 4.446 205 H ILE 25 H ILE 25 -10.097 -12.678 2.905 206 HA ILE 25 HA ILE 25 -11.382 -10.139 2.974 207 HB ILE 25 HB ILE 25 -11.172 -12.233 0.797 208 1HG1 ILE 25 1HG1 ILE 25 -9.723 -9.592 1.168 209 2HG1 ILE 25 2HG1 ILE 25 -9.043 -11.176 1.527 210 1HG2 ILE 25 1HG2 ILE 25 -12.243 -9.416 0.621 211 2HG2 ILE 25 2HG2 ILE 25 -13.157 -10.907 0.398 212 3HG2 ILE 25 3HG2 ILE 25 -11.904 -10.460 -0.759 213 1HD1 ILE 25 1HD1 ILE 25 -9.225 -11.783 -0.832 214 2HD1 ILE 25 2HD1 ILE 25 -8.241 -10.338 -0.598 215 3HD1 ILE 25 3HD1 ILE 25 -9.897 -10.190 -1.187 216 H VAL 26 H VAL 26 -13.302 -9.938 3.932 217 HA VAL 26 HA VAL 26 -15.262 -12.108 3.797 218 HB VAL 26 HB VAL 26 -16.521 -10.830 5.497 219 1HG1 VAL 26 1HG1 VAL 26 -14.927 -11.130 7.345 220 2HG1 VAL 26 2HG1 VAL 26 -13.611 -11.270 6.176 221 3HG1 VAL 26 3HG1 VAL 26 -14.890 -12.485 6.216 222 1HG2 VAL 26 1HG2 VAL 26 -15.865 -8.563 4.853 223 2HG2 VAL 26 2HG2 VAL 26 -14.209 -8.883 5.368 224 3HG2 VAL 26 3HG2 VAL 26 -15.512 -8.855 6.557 225 H GLU 27 H GLU 27 -14.624 -9.000 2.464 226 HA GLU 27 HA GLU 27 -17.122 -9.121 0.951 227 1HB GLU 27 1HB GLU 27 -17.518 -7.627 2.909 228 2HB GLU 27 2HB GLU 27 -16.190 -6.612 2.369 229 1HG GLU 27 1HG GLU 27 -17.429 -6.212 0.249 230 2HG GLU 27 2HG GLU 27 -18.785 -7.114 0.925 231 H MET 28 H MET 28 -16.975 -8.254 -1.095 232 HA MET 28 HA MET 28 -14.295 -7.338 -1.932 233 1HB MET 28 1HB MET 28 -16.157 -9.037 -3.612 234 2HB MET 28 2HB MET 28 -14.483 -8.629 -3.951 235 1HG MET 28 1HG MET 28 -14.569 -10.903 -3.260 236 2HG MET 28 2HG MET 28 -13.817 -9.973 -1.965 237 1HE MET 28 1HE MET 28 -14.216 -12.037 -0.281 238 2HE MET 28 2HE MET 28 -14.960 -12.945 -1.596 239 3HE MET 28 3HE MET 28 -15.790 -12.799 -0.046 240 H GLU 29 H GLU 29 -14.458 -6.309 -4.205 241 HA GLU 29 HA GLU 29 -16.680 -4.452 -4.370 242 1HB GLU 29 1HB GLU 29 -14.370 -3.789 -5.011 243 2HB GLU 29 2HB GLU 29 -14.411 -4.963 -6.315 244 1HG GLU 29 1HG GLU 29 -14.844 -2.845 -7.276 245 2HG GLU 29 2HG GLU 29 -16.372 -3.723 -7.262 246 H ASN 30 H ASN 30 -15.253 -6.913 -6.469 247 HA ASN 30 HA ASN 30 -17.789 -7.282 -7.883 248 1HB ASN 30 1HB ASN 30 -15.710 -7.004 -9.205 249 2HB ASN 30 2HB ASN 30 -15.020 -8.409 -8.415 250 1HD2 ASN 30 1HD2 ASN 30 -15.727 -7.683 -11.257 251 2HD2 ASN 30 2HD2 ASN 30 -16.611 -9.054 -11.835 252 HA PRO 31 HA PRO 31 -19.074 -10.802 -5.462 253 1HB PRO 31 1HB PRO 31 -19.876 -12.321 -7.727 254 2HB PRO 31 2HB PRO 31 -20.893 -11.280 -6.728 255 1HG PRO 31 1HG PRO 31 -19.505 -10.669 -9.304 256 2HG PRO 31 2HG PRO 31 -21.097 -10.127 -8.727 257 1HD PRO 31 1HD PRO 31 -19.041 -8.460 -8.706 258 2HD PRO 31 2HD PRO 31 -20.140 -8.508 -7.310 259 H ALA 32 H ALA 32 -16.850 -11.079 -8.149 260 HA ALA 32 HA ALA 32 -15.882 -13.689 -7.378 261 1HB ALA 32 1HB ALA 32 -15.741 -13.019 -9.717 262 2HB ALA 32 2HB ALA 32 -14.126 -13.291 -9.057 263 3HB ALA 32 3HB ALA 32 -14.723 -11.645 -9.279 264 H LEU 33 H LEU 33 -14.195 -10.544 -7.623 265 HA LEU 33 HA LEU 33 -13.283 -10.437 -4.982 266 1HB LEU 33 1HB LEU 33 -12.074 -12.526 -5.839 267 2HB LEU 33 2HB LEU 33 -11.137 -11.444 -6.850 268 HG LEU 33 HG LEU 33 -10.305 -10.279 -4.829 269 1HD1 LEU 33 1HD1 LEU 33 -10.666 -11.272 -2.620 270 2HD1 LEU 33 2HD1 LEU 33 -11.792 -12.433 -3.324 271 3HD1 LEU 33 3HD1 LEU 33 -12.178 -10.712 -3.336 272 1HD2 LEU 33 1HD2 LEU 33 -8.982 -12.085 -5.805 273 2HD2 LEU 33 2HD2 LEU 33 -9.846 -13.268 -4.822 274 3HD2 LEU 33 3HD2 LEU 33 -8.815 -12.063 -4.050 275 H TRP 34 H TRP 34 -11.417 -10.019 -7.980 276 HA TRP 34 HA TRP 34 -10.567 -7.392 -7.251 277 1HB TRP 34 1HB TRP 34 -10.305 -8.889 -9.882 278 2HB TRP 34 2HB TRP 34 -9.451 -7.405 -9.471 279 HD1 TRP 34 HD1 TRP 34 -9.769 -10.972 -7.918 280 HE1 TRP 34 HE1 TRP 34 -7.448 -11.664 -7.051 281 HE3 TRP 34 HE3 TRP 34 -7.150 -6.748 -9.116 282 HZ2 TRP 34 HZ2 TRP 34 -4.853 -10.566 -6.886 283 HZ3 TRP 34 HZ3 TRP 34 -4.756 -6.651 -8.574 284 HH2 TRP 34 HH2 TRP 34 -3.633 -8.522 -7.485 285 H GLY 35 H GLY 35 -11.290 -5.399 -7.964 286 1HA GLY 35 1HA GLY 35 -12.934 -4.979 -10.211 287 2HA GLY 35 2HA GLY 35 -13.970 -5.172 -8.808 288 H GLY 36 H GLY 36 -12.258 -3.897 -6.908 289 1HA GLY 36 1HA GLY 36 -11.558 -1.276 -7.706 290 2HA GLY 36 2HA GLY 36 -13.215 -1.282 -7.116 291 H LYS 37 H LYS 37 -13.540 -2.286 -4.937 292 HA LYS 37 HA LYS 37 -11.179 -1.898 -3.212 293 1HB LYS 37 1HB LYS 37 -12.773 -1.228 -1.412 294 2HB LYS 37 2HB LYS 37 -12.726 -0.121 -2.770 295 1HG LYS 37 1HG LYS 37 -14.985 -0.269 -2.258 296 2HG LYS 37 2HG LYS 37 -14.801 -1.359 -3.628 297 1HD LYS 37 1HD LYS 37 -14.752 -3.278 -2.087 298 2HD LYS 37 2HD LYS 37 -14.930 -2.180 -0.716 299 1HE LYS 37 1HE LYS 37 -17.099 -1.430 -1.641 300 2HE LYS 37 2HE LYS 37 -16.922 -2.591 -2.955 301 1HZ LYS 37 1HZ LYS 37 -16.963 -4.382 -1.346 302 2HZ LYS 37 2HZ LYS 37 -18.344 -3.423 -1.181 303 3HZ LYS 37 3HZ LYS 37 -17.083 -3.279 -0.064 304 H VAL 38 H VAL 38 -11.244 -3.115 -1.167 305 HA VAL 38 HA VAL 38 -12.952 -5.472 -1.101 306 HB VAL 38 HB VAL 38 -10.937 -6.192 -2.366 307 1HG1 VAL 38 1HG1 VAL 38 -8.767 -6.375 -1.220 308 2HG1 VAL 38 2HG1 VAL 38 -9.426 -5.483 0.152 309 3HG1 VAL 38 3HG1 VAL 38 -9.273 -4.700 -1.421 310 1HG2 VAL 38 1HG2 VAL 38 -12.163 -7.803 -1.008 311 2HG2 VAL 38 2HG2 VAL 38 -11.158 -7.407 0.388 312 3HG2 VAL 38 3HG2 VAL 38 -10.438 -8.176 -1.028 313 H THR 39 H THR 39 -13.157 -6.327 1.035 314 HA THR 39 HA THR 39 -12.024 -4.593 3.145 315 HB THR 39 HB THR 39 -14.784 -5.846 3.129 316 HG1 THR 39 HG1 THR 39 -15.506 -3.742 2.753 317 1HG2 THR 39 1HG2 THR 39 -15.171 -4.449 5.121 318 2HG2 THR 39 2HG2 THR 39 -13.491 -3.911 5.069 319 3HG2 THR 39 3HG2 THR 39 -13.866 -5.604 5.390 320 H LEU 40 H LEU 40 -11.093 -5.546 4.816 321 HA LEU 40 HA LEU 40 -10.820 -8.447 4.802 322 1HB LEU 40 1HB LEU 40 -9.325 -6.233 6.207 323 2HB LEU 40 2HB LEU 40 -9.059 -7.924 6.578 324 HG LEU 40 HG LEU 40 -7.329 -7.228 5.094 325 1HD1 LEU 40 1HD1 LEU 40 -7.633 -8.742 3.213 326 2HD1 LEU 40 2HD1 LEU 40 -9.364 -8.818 3.531 327 3HD1 LEU 40 3HD1 LEU 40 -8.220 -9.465 4.709 328 1HD2 LEU 40 1HD2 LEU 40 -9.481 -6.260 3.203 329 2HD2 LEU 40 2HD2 LEU 40 -7.745 -6.273 2.883 330 3HD2 LEU 40 3HD2 LEU 40 -8.398 -5.241 4.154 331 H ALA 41 H ALA 41 -10.955 -9.660 6.756 332 HA ALA 41 HA ALA 41 -13.379 -9.502 8.039 333 1HB ALA 41 1HB ALA 41 -11.991 -11.517 7.896 334 2HB ALA 41 2HB ALA 41 -12.513 -11.207 9.552 335 3HB ALA 41 3HB ALA 41 -10.861 -10.819 9.060 336 H ASN 42 H ASN 42 -10.346 -8.016 9.028 337 HA ASN 42 HA ASN 42 -11.345 -7.549 11.725 338 1HB ASN 42 1HB ASN 42 -8.922 -8.273 10.998 339 2HB ASN 42 2HB ASN 42 -8.686 -6.547 10.760 340 1HD2 ASN 42 1HD2 ASN 42 -7.478 -8.415 12.675 341 2HD2 ASN 42 2HD2 ASN 42 -7.799 -7.762 14.244 342 H GLY 43 H GLY 43 -11.642 -5.974 8.827 343 1HA GLY 43 1HA GLY 43 -13.119 -4.016 8.979 344 2HA GLY 43 2HA GLY 43 -12.072 -3.409 10.250 345 H TRP 44 H TRP 44 -9.647 -4.251 8.701 346 HA TRP 44 HA TRP 44 -9.110 -1.817 7.417 347 1HB TRP 44 1HB TRP 44 -7.748 -4.504 7.395 348 2HB TRP 44 2HB TRP 44 -7.192 -3.231 6.315 349 HD1 TRP 44 HD1 TRP 44 -5.600 -1.447 7.309 350 HE1 TRP 44 HE1 TRP 44 -4.622 -0.991 9.645 351 HE3 TRP 44 HE3 TRP 44 -8.463 -4.689 10.038 352 HZ2 TRP 44 HZ2 TRP 44 -5.011 -1.880 12.286 353 HZ3 TRP 44 HZ3 TRP 44 -8.093 -4.824 12.468 354 HH2 TRP 44 HH2 TRP 44 -6.404 -3.450 13.568 355 H GLN 45 H GLN 45 -9.189 -1.150 5.305 356 HA GLN 45 HA GLN 45 -10.363 -3.030 3.359 357 1HB GLN 45 1HB GLN 45 -10.879 -0.049 3.546 358 2HB GLN 45 2HB GLN 45 -11.534 -1.132 2.323 359 1HG GLN 45 1HG GLN 45 -12.689 -2.385 4.148 360 2HG GLN 45 2HG GLN 45 -12.141 -1.148 5.277 361 1HE2 GLN 45 1HE2 GLN 45 -14.289 -1.902 2.665 362 2HE2 GLN 45 2HE2 GLN 45 -15.275 -0.485 2.788 363 H LEU 46 H LEU 46 -9.594 -2.944 1.275 364 HA LEU 46 HA LEU 46 -7.218 -1.283 0.765 365 1HB LEU 46 1HB LEU 46 -6.783 -3.717 1.598 366 2HB LEU 46 2HB LEU 46 -7.352 -4.209 0.020 367 HG LEU 46 HG LEU 46 -4.876 -4.159 0.240 368 1HD1 LEU 46 1HD1 LEU 46 -5.945 -2.209 -1.795 369 2HD1 LEU 46 2HD1 LEU 46 -5.914 -3.965 -1.962 370 3HD1 LEU 46 3HD1 LEU 46 -4.402 -3.064 -1.866 371 1HD2 LEU 46 1HD2 LEU 46 -3.701 -2.025 0.292 372 2HD2 LEU 46 2HD2 LEU 46 -4.684 -2.244 1.739 373 3HD2 LEU 46 3HD2 LEU 46 -5.235 -1.170 0.453 374 H GLU 47 H GLU 47 -7.069 -0.589 -1.362 375 HA GLU 47 HA GLU 47 -9.411 -0.958 -3.016 376 1HB GLU 47 1HB GLU 47 -8.265 1.244 -2.777 377 2HB GLU 47 2HB GLU 47 -6.868 0.576 -3.611 378 1HG GLU 47 1HG GLU 47 -8.187 0.244 -5.620 379 2HG GLU 47 2HG GLU 47 -9.634 0.817 -4.787 380 H LEU 48 H LEU 48 -9.615 -2.667 -4.280 381 HA LEU 48 HA LEU 48 -7.210 -4.024 -5.313 382 1HB LEU 48 1HB LEU 48 -8.674 -5.265 -3.674 383 2HB LEU 48 2HB LEU 48 -9.957 -5.207 -4.865 384 HG LEU 48 HG LEU 48 -8.571 -6.534 -6.421 385 1HD1 LEU 48 1HD1 LEU 48 -6.609 -6.638 -4.125 386 2HD1 LEU 48 2HD1 LEU 48 -6.364 -5.827 -5.673 387 3HD1 LEU 48 3HD1 LEU 48 -6.504 -7.584 -5.610 388 1HD2 LEU 48 1HD2 LEU 48 -10.136 -7.677 -4.937 389 2HD2 LEU 48 2HD2 LEU 48 -8.898 -7.774 -3.684 390 3HD2 LEU 48 3HD2 LEU 48 -8.694 -8.657 -5.197 391 HA PRO 49 HA PRO 49 -9.127 -2.159 -9.026 392 1HB PRO 49 1HB PRO 49 -6.524 -2.848 -10.253 393 2HB PRO 49 2HB PRO 49 -7.328 -1.279 -10.133 394 1HG PRO 49 1HG PRO 49 -5.155 -1.836 -8.666 395 2HG PRO 49 2HG PRO 49 -6.486 -0.858 -8.012 396 1HD PRO 49 1HD PRO 49 -5.877 -3.771 -7.562 397 2HD PRO 49 2HD PRO 49 -6.342 -2.527 -6.379 398 H ALA 50 H ALA 50 -9.906 -3.008 -10.972 399 HA ALA 50 HA ALA 50 -10.156 -5.863 -11.054 400 1HB ALA 50 1HB ALA 50 -11.595 -5.488 -12.995 401 2HB ALA 50 2HB ALA 50 -11.103 -3.793 -13.043 402 3HB ALA 50 3HB ALA 50 -12.029 -4.404 -11.672 403 H MET 51 H MET 51 -7.914 -6.411 -11.280 404 HA MET 51 HA MET 51 -6.694 -5.902 -13.895 405 1HB MET 51 1HB MET 51 -5.631 -7.238 -11.389 406 2HB MET 51 2HB MET 51 -4.717 -7.100 -12.886 407 1HG MET 51 1HG MET 51 -5.769 -4.768 -11.296 408 2HG MET 51 2HG MET 51 -4.122 -5.391 -11.207 409 1HE MET 51 1HE MET 51 -3.269 -2.866 -11.737 410 2HE MET 51 2HE MET 51 -4.944 -2.330 -11.865 411 3HE MET 51 3HE MET 51 -3.797 -1.955 -13.151 412 H ALA 52 H ALA 52 -7.107 -8.762 -11.806 413 HA ALA 52 HA ALA 52 -8.095 -10.302 -14.083 414 1HB ALA 52 1HB ALA 52 -5.667 -10.663 -14.114 415 2HB ALA 52 2HB ALA 52 -6.529 -12.140 -13.679 416 3HB ALA 52 3HB ALA 52 -5.722 -11.191 -12.431 417 H ALA 53 H ALA 53 -9.957 -11.088 -13.374 418 HA ALA 53 HA ALA 53 -10.747 -11.147 -10.681 419 1HB ALA 53 1HB ALA 53 -12.327 -10.954 -12.540 420 2HB ALA 53 2HB ALA 53 -12.750 -12.297 -11.479 421 3HB ALA 53 3HB ALA 53 -11.965 -12.611 -13.028 422 H ASP 54 H ASP 54 -9.591 -13.719 -12.824 423 HA ASP 54 HA ASP 54 -10.107 -15.826 -10.976 424 1HB ASP 54 1HB ASP 54 -8.769 -17.230 -12.525 425 2HB ASP 54 2HB ASP 54 -10.027 -16.314 -13.346 426 H THR 55 H THR 55 -7.050 -14.293 -12.025 427 HA THR 55 HA THR 55 -4.929 -14.470 -11.217 428 HB THR 55 HB THR 55 -4.901 -13.892 -8.627 429 HG1 THR 55 HG1 THR 55 -7.482 -12.928 -9.329 430 1HG2 THR 55 1HG2 THR 55 -4.208 -12.377 -10.424 431 2HG2 THR 55 2HG2 THR 55 -5.144 -11.522 -9.200 432 3HG2 THR 55 3HG2 THR 55 -5.894 -11.962 -10.734 433 HA PRO 56 HA PRO 56 -5.227 -18.840 -9.925 434 1HB PRO 56 1HB PRO 56 -3.057 -19.711 -11.303 435 2HB PRO 56 2HB PRO 56 -4.624 -19.431 -12.073 436 1HG PRO 56 1HG PRO 56 -2.210 -17.648 -11.995 437 2HG PRO 56 2HG PRO 56 -3.258 -18.049 -13.370 438 1HD PRO 56 1HD PRO 56 -3.504 -15.733 -11.982 439 2HD PRO 56 2HD PRO 56 -4.897 -16.552 -12.719 440 H LEU 57 H LEU 57 -2.638 -16.564 -9.561 441 HA LEU 57 HA LEU 57 -1.517 -18.191 -7.378 442 1HB LEU 57 1HB LEU 57 0.725 -17.203 -7.963 443 2HB LEU 57 2HB LEU 57 0.086 -18.361 -9.110 444 HG LEU 57 HG LEU 57 -0.708 -16.308 -10.462 445 1HD1 LEU 57 1HD1 LEU 57 -0.396 -14.604 -8.758 446 2HD1 LEU 57 2HD1 LEU 57 0.626 -14.273 -10.156 447 3HD1 LEU 57 3HD1 LEU 57 1.330 -14.958 -8.690 448 1HD2 LEU 57 1HD2 LEU 57 1.469 -16.106 -11.560 449 2HD2 LEU 57 2HD2 LEU 57 1.096 -17.784 -11.171 450 3HD2 LEU 57 3HD2 LEU 57 2.243 -16.884 -10.178 451 HA PRO 58 HA PRO 58 -2.045 -14.618 -4.814 452 1HB PRO 58 1HB PRO 58 0.070 -14.861 -3.097 453 2HB PRO 58 2HB PRO 58 -1.381 -15.865 -2.999 454 1HG PRO 58 1HG PRO 58 1.280 -16.497 -4.218 455 2HG PRO 58 2HG PRO 58 0.233 -17.522 -3.218 456 1HD PRO 58 1HD PRO 58 0.342 -17.760 -5.914 457 2HD PRO 58 2HD PRO 58 -1.145 -18.070 -4.993 458 H ILE 59 H ILE 59 -1.703 -12.969 -6.269 459 HA ILE 59 HA ILE 59 1.001 -12.136 -6.952 460 HB ILE 59 HB ILE 59 -0.605 -12.134 -8.754 461 1HG1 ILE 59 1HG1 ILE 59 0.052 -9.295 -7.900 462 2HG1 ILE 59 2HG1 ILE 59 1.092 -10.363 -8.835 463 1HG2 ILE 59 1HG2 ILE 59 -2.601 -10.723 -8.756 464 2HG2 ILE 59 2HG2 ILE 59 -2.249 -10.214 -7.106 465 3HG2 ILE 59 3HG2 ILE 59 -2.645 -11.899 -7.443 466 1HD1 ILE 59 1HD1 ILE 59 0.034 -8.721 -10.256 467 2HD1 ILE 59 2HD1 ILE 59 -1.559 -9.244 -9.715 468 3HD1 ILE 59 3HD1 ILE 59 -0.545 -10.337 -10.658 469 H THR 60 H THR 60 1.945 -10.228 -6.346 470 HA THR 60 HA THR 60 0.726 -8.807 -4.088 471 HB THR 60 HB THR 60 3.556 -8.597 -5.165 472 HG1 THR 60 HG1 THR 60 3.353 -10.654 -4.373 473 1HG2 THR 60 1HG2 THR 60 2.845 -6.656 -3.835 474 2HG2 THR 60 2HG2 THR 60 4.056 -7.607 -2.975 475 3HG2 THR 60 3HG2 THR 60 2.356 -7.732 -2.524 476 H VAL 61 H VAL 61 0.010 -6.738 -4.284 477 HA VAL 61 HA VAL 61 0.581 -5.298 -6.796 478 HB VAL 61 HB VAL 61 -1.732 -4.412 -6.776 479 1HG1 VAL 61 1HG1 VAL 61 -2.840 -6.429 -7.603 480 2HG1 VAL 61 2HG1 VAL 61 -1.586 -7.429 -6.868 481 3HG1 VAL 61 3HG1 VAL 61 -1.177 -6.330 -8.185 482 1HG2 VAL 61 1HG2 VAL 61 -2.186 -6.417 -4.555 483 2HG2 VAL 61 2HG2 VAL 61 -3.449 -5.502 -5.382 484 3HG2 VAL 61 3HG2 VAL 61 -2.243 -4.661 -4.406 485 H GLU 62 H GLU 62 -0.325 -2.943 -6.534 486 HA GLU 62 HA GLU 62 1.200 -1.756 -4.402 487 1HB GLU 62 1HB GLU 62 1.202 -0.797 -6.654 488 2HB GLU 62 2HB GLU 62 -0.533 -0.533 -6.565 489 1HG GLU 62 1HG GLU 62 -0.232 1.100 -4.802 490 2HG GLU 62 2HG GLU 62 1.505 0.784 -4.774 491 H ALA 63 H ALA 63 0.459 -1.072 -2.503 492 HA ALA 63 HA ALA 63 -2.255 -1.721 -1.789 493 1HB ALA 63 1HB ALA 63 -0.384 -2.324 -0.331 494 2HB ALA 63 2HB ALA 63 -1.551 -1.295 0.497 495 3HB ALA 63 3HB ALA 63 -0.029 -0.615 -0.080 496 H ARG 64 H ARG 64 -3.887 -0.367 -1.914 497 HA ARG 64 HA ARG 64 -3.478 2.453 -1.125 498 1HB ARG 64 1HB ARG 64 -5.133 1.223 -3.252 499 2HB ARG 64 2HB ARG 64 -5.973 2.416 -2.279 500 1HG ARG 64 1HG ARG 64 -5.081 3.440 -4.263 501 2HG ARG 64 2HG ARG 64 -4.258 4.077 -2.840 502 1HD ARG 64 1HD ARG 64 -2.274 2.970 -3.339 503 2HD ARG 64 2HD ARG 64 -3.078 1.786 -4.374 504 HE ARG 64 HE ARG 64 -3.506 3.811 -5.874 505 1HH1 ARG 64 1HH1 ARG 64 -0.645 3.501 -3.873 506 2HH1 ARG 64 2HH1 ARG 64 0.364 4.370 -4.980 507 1HH2 ARG 64 1HH2 ARG 64 -2.186 4.965 -7.314 508 2HH2 ARG 64 2HH2 ARG 64 -0.509 5.205 -6.936 509 H LYS 65 H LYS 65 -3.877 2.359 1.054 510 HA LYS 65 HA LYS 65 -5.869 0.614 2.159 511 1HB LYS 65 1HB LYS 65 -3.849 1.226 3.439 512 2HB LYS 65 2HB LYS 65 -4.370 2.907 3.457 513 1HG LYS 65 1HG LYS 65 -6.392 2.235 4.720 514 2HG LYS 65 2HG LYS 65 -5.783 0.579 4.762 515 1HD LYS 65 1HD LYS 65 -3.810 1.332 6.007 516 2HD LYS 65 2HD LYS 65 -4.396 2.996 5.941 517 1HE LYS 65 1HE LYS 65 -5.740 0.670 7.329 518 2HE LYS 65 2HE LYS 65 -4.899 2.009 8.106 519 1HZ LYS 65 1HZ LYS 65 -7.412 2.165 6.533 520 2HZ LYS 65 2HZ LYS 65 -6.566 3.513 7.109 521 3HZ LYS 65 3HZ LYS 65 -7.234 2.409 8.197 522 H LEU 66 H LEU 66 -7.948 1.038 2.579 523 HA LEU 66 HA LEU 66 -8.950 3.745 2.016 524 1HB LEU 66 1HB LEU 66 -10.463 1.126 2.117 525 2HB LEU 66 2HB LEU 66 -11.136 2.684 1.680 526 HG LEU 66 HG LEU 66 -9.038 1.165 0.117 527 1HD1 LEU 66 1HD1 LEU 66 -11.945 1.699 -0.493 528 2HD1 LEU 66 2HD1 LEU 66 -11.247 0.146 -0.031 529 3HD1 LEU 66 3HD1 LEU 66 -10.794 0.897 -1.561 530 1HD2 LEU 66 1HD2 LEU 66 -9.338 2.899 -1.595 531 2HD2 LEU 66 2HD2 LEU 66 -8.708 3.571 -0.092 532 3HD2 LEU 66 3HD2 LEU 66 -10.409 3.786 -0.508 Start of MODEL 11 1 H MET 1 H MET 1 4.169 0.272 -0.382 2 HA MET 1 HA MET 1 1.430 0.956 -1.265 3 1HB MET 1 1HB MET 1 3.200 2.456 -2.174 4 2HB MET 1 2HB MET 1 4.036 1.049 -2.810 5 1HG MET 1 1HG MET 1 2.062 0.565 -4.227 6 2HG MET 1 2HG MET 1 1.318 2.052 -3.642 7 1HE MET 1 1HE MET 1 3.789 4.773 -5.025 8 2HE MET 1 2HE MET 1 3.888 3.977 -3.455 9 3HE MET 1 3HE MET 1 2.322 4.477 -4.093 10 H LYS 2 H LYS 2 3.237 -1.557 -0.336 11 HA LYS 2 HA LYS 2 2.555 -3.271 -2.624 12 1HB LYS 2 1HB LYS 2 4.900 -3.327 -2.265 13 2HB LYS 2 2HB LYS 2 4.710 -3.469 -0.523 14 1HG LYS 2 1HG LYS 2 3.933 -5.721 -0.711 15 2HG LYS 2 2HG LYS 2 3.838 -5.596 -2.468 16 1HD LYS 2 1HD LYS 2 6.396 -5.363 -0.875 17 2HD LYS 2 2HD LYS 2 5.833 -6.846 -1.648 18 1HE LYS 2 1HE LYS 2 5.894 -5.729 -3.830 19 2HE LYS 2 2HE LYS 2 6.461 -4.249 -3.058 20 1HZ LYS 2 1HZ LYS 2 7.904 -6.845 -3.064 21 2HZ LYS 2 2HZ LYS 2 8.452 -5.403 -2.370 22 3HZ LYS 2 3HZ LYS 2 8.267 -5.518 -4.045 23 H VAL 3 H VAL 3 1.134 -4.849 -2.395 24 HA VAL 3 HA VAL 3 0.671 -6.057 0.223 25 HB VAL 3 HB VAL 3 -1.085 -4.318 -0.044 26 1HG1 VAL 3 1HG1 VAL 3 -1.942 -5.928 -2.451 27 2HG1 VAL 3 2HG1 VAL 3 -1.282 -4.293 -2.469 28 3HG1 VAL 3 3HG1 VAL 3 -2.852 -4.601 -1.726 29 1HG2 VAL 3 1HG2 VAL 3 -2.997 -5.773 0.450 30 2HG2 VAL 3 2HG2 VAL 3 -1.535 -6.301 1.281 31 3HG2 VAL 3 3HG2 VAL 3 -2.091 -7.162 -0.155 32 H MET 4 H MET 4 0.420 -8.227 0.087 33 HA MET 4 HA MET 4 0.434 -9.413 -2.606 34 1HB MET 4 1HB MET 4 2.364 -9.960 -1.179 35 2HB MET 4 2HB MET 4 1.283 -10.598 0.053 36 1HG MET 4 1HG MET 4 0.565 -12.361 -1.465 37 2HG MET 4 2HG MET 4 1.593 -11.704 -2.735 38 1HE MET 4 1HE MET 4 2.446 -11.960 1.106 39 2HE MET 4 2HE MET 4 3.230 -13.537 1.176 40 3HE MET 4 3HE MET 4 1.511 -13.425 0.801 41 H ILE 5 H ILE 5 -1.473 -10.125 -3.279 42 HA ILE 5 HA ILE 5 -3.548 -10.843 -1.356 43 HB ILE 5 HB ILE 5 -3.717 -10.760 -4.382 44 1HG1 ILE 5 1HG1 ILE 5 -3.153 -8.540 -3.498 45 2HG1 ILE 5 2HG1 ILE 5 -4.807 -8.564 -4.097 46 1HG2 ILE 5 1HG2 ILE 5 -5.443 -12.145 -3.370 47 2HG2 ILE 5 2HG2 ILE 5 -6.148 -10.660 -4.007 48 3HG2 ILE 5 3HG2 ILE 5 -5.882 -10.836 -2.272 49 1HD1 ILE 5 1HD1 ILE 5 -3.962 -8.727 -1.210 50 2HD1 ILE 5 2HD1 ILE 5 -5.625 -8.763 -1.799 51 3HD1 ILE 5 3HD1 ILE 5 -4.639 -7.319 -2.027 52 H ARG 6 H ARG 6 -3.770 -12.876 -0.706 53 HA ARG 6 HA ARG 6 -2.402 -15.016 -2.166 54 1HB ARG 6 1HB ARG 6 -3.587 -14.890 0.620 55 2HB ARG 6 2HB ARG 6 -2.886 -16.345 -0.075 56 1HG ARG 6 1HG ARG 6 -0.715 -15.242 -0.238 57 2HG ARG 6 2HG ARG 6 -1.409 -13.755 0.414 58 1HD ARG 6 1HD ARG 6 -0.177 -15.131 2.098 59 2HD ARG 6 2HD ARG 6 -1.859 -14.811 2.523 60 HE ARG 6 HE ARG 6 -1.678 -17.262 1.138 61 1HH1 ARG 6 1HH1 ARG 6 -0.820 -15.886 4.245 62 2HH1 ARG 6 2HH1 ARG 6 -1.031 -17.383 5.096 63 1HH2 ARG 6 1HH2 ARG 6 -1.965 -19.211 2.258 64 2HH2 ARG 6 2HH2 ARG 6 -1.676 -19.269 3.970 65 H LYS 7 H LYS 7 -3.436 -16.950 -2.718 66 HA LYS 7 HA LYS 7 -6.374 -16.746 -2.961 67 1HB LYS 7 1HB LYS 7 -4.554 -18.077 -4.974 68 2HB LYS 7 2HB LYS 7 -6.260 -17.693 -5.151 69 1HG LYS 7 1HG LYS 7 -3.993 -15.713 -5.018 70 2HG LYS 7 2HG LYS 7 -4.881 -16.193 -6.462 71 1HD LYS 7 1HD LYS 7 -6.963 -15.302 -5.370 72 2HD LYS 7 2HD LYS 7 -5.939 -14.669 -4.077 73 1HE LYS 7 1HE LYS 7 -5.952 -13.895 -6.988 74 2HE LYS 7 2HE LYS 7 -6.285 -12.874 -5.590 75 1HZ LYS 7 1HZ LYS 7 -3.661 -14.054 -6.336 76 2HZ LYS 7 2HZ LYS 7 -3.949 -13.179 -4.915 77 3HZ LYS 7 3HZ LYS 7 -4.099 -12.419 -6.421 78 H THR 8 H THR 8 -7.525 -18.698 -2.936 79 HA THR 8 HA THR 8 -6.253 -21.228 -2.447 80 HB THR 8 HB THR 8 -7.865 -19.959 -0.196 81 HG1 THR 8 HG1 THR 8 -5.124 -20.188 -0.690 82 1HG2 THR 8 1HG2 THR 8 -6.467 -22.643 -0.328 83 2HG2 THR 8 2HG2 THR 8 -8.212 -22.383 -0.336 84 3HG2 THR 8 3HG2 THR 8 -7.266 -21.965 1.091 85 H ALA 9 H ALA 9 -7.957 -22.951 -2.203 86 HA ALA 9 HA ALA 9 -9.829 -23.053 -4.125 87 1HB ALA 9 1HB ALA 9 -10.989 -24.784 -2.849 88 2HB ALA 9 2HB ALA 9 -10.172 -24.258 -1.376 89 3HB ALA 9 3HB ALA 9 -9.239 -24.954 -2.702 90 H THR 10 H THR 10 -10.442 -21.743 -0.879 91 HA THR 10 HA THR 10 -12.547 -20.074 -2.006 92 HB THR 10 HB THR 10 -13.761 -22.058 -1.180 93 HG1 THR 10 HG1 THR 10 -14.176 -19.749 0.461 94 1HG2 THR 10 1HG2 THR 10 -13.861 -22.541 1.229 95 2HG2 THR 10 2HG2 THR 10 -12.619 -21.324 1.524 96 3HG2 THR 10 3HG2 THR 10 -12.233 -22.771 0.592 97 H GLY 11 H GLY 11 -10.340 -20.843 0.605 98 1HA GLY 11 1HA GLY 11 -10.919 -18.569 2.219 99 2HA GLY 11 2HA GLY 11 -9.517 -19.616 2.360 100 H HIS 12 H HIS 12 -10.853 -16.976 0.398 101 HA HIS 12 HA HIS 12 -8.353 -16.150 -0.696 102 1HB HIS 12 1HB HIS 12 -10.920 -14.581 -0.280 103 2HB HIS 12 2HB HIS 12 -9.558 -14.048 -1.259 104 HD1 HIS 12 HD1 HIS 12 -12.556 -16.242 -1.327 105 HD2 HIS 12 HD2 HIS 12 -9.251 -15.445 -3.723 106 HE1 HIS 12 HE1 HIS 12 -13.106 -17.205 -3.580 107 HE2 HIS 12 HE2 HIS 12 -11.177 -16.547 -5.054 108 H SER 13 H SER 13 -6.855 -14.687 0.095 109 HA SER 13 HA SER 13 -7.427 -13.269 2.585 110 1HB SER 13 1HB SER 13 -5.214 -14.126 3.527 111 2HB SER 13 2HB SER 13 -6.534 -15.295 3.469 112 HG SER 13 HG SER 13 -5.368 -16.472 2.189 113 H ALA 14 H ALA 14 -5.684 -11.711 3.145 114 HA ALA 14 HA ALA 14 -4.006 -10.907 0.873 115 1HB ALA 14 1HB ALA 14 -5.869 -9.017 2.321 116 2HB ALA 14 2HB ALA 14 -6.099 -9.626 0.682 117 3HB ALA 14 3HB ALA 14 -4.725 -8.582 1.051 118 H TYR 15 H TYR 15 -2.126 -9.852 1.439 119 HA TYR 15 HA TYR 15 -1.575 -9.546 4.318 120 1HB TYR 15 1HB TYR 15 -0.473 -11.562 3.645 121 2HB TYR 15 2HB TYR 15 0.144 -10.816 2.176 122 HD1 TYR 15 HD1 TYR 15 2.335 -10.017 2.155 123 HD2 TYR 15 HD2 TYR 15 0.358 -10.479 5.901 124 HE1 TYR 15 HE1 TYR 15 4.415 -9.427 3.322 125 HE2 TYR 15 HE2 TYR 15 2.438 -9.890 7.073 126 HH TYR 15 HH TYR 15 4.791 -9.796 6.733 127 H VAL 16 H VAL 16 -1.298 -7.447 4.700 128 HA VAL 16 HA VAL 16 -0.275 -5.632 2.677 129 HB VAL 16 HB VAL 16 -1.053 -5.061 5.553 130 1HG1 VAL 16 1HG1 VAL 16 -1.219 -2.720 4.803 131 2HG1 VAL 16 2HG1 VAL 16 -0.614 -3.194 3.215 132 3HG1 VAL 16 3HG1 VAL 16 0.419 -3.354 4.637 133 1HG2 VAL 16 1HG2 VAL 16 -2.684 -4.766 3.022 134 2HG2 VAL 16 2HG2 VAL 16 -3.174 -4.222 4.628 135 3HG2 VAL 16 3HG2 VAL 16 -2.956 -5.943 4.308 136 H ALA 17 H ALA 17 1.797 -5.073 2.489 137 HA ALA 17 HA ALA 17 3.819 -6.438 3.822 138 1HB ALA 17 1HB ALA 17 5.377 -4.990 2.643 139 2HB ALA 17 2HB ALA 17 4.071 -3.865 2.267 140 3HB ALA 17 3HB ALA 17 4.062 -5.489 1.579 141 H LYS 18 H LYS 18 3.396 -2.873 4.021 142 HA LYS 18 HA LYS 18 5.300 -2.650 6.081 143 1HB LYS 18 1HB LYS 18 4.497 -0.285 6.291 144 2HB LYS 18 2HB LYS 18 4.970 -0.766 4.674 145 1HG LYS 18 1HG LYS 18 3.044 0.523 4.380 146 2HG LYS 18 2HG LYS 18 2.493 -1.140 4.213 147 1HD LYS 18 1HD LYS 18 0.934 0.219 5.543 148 2HD LYS 18 2HD LYS 18 1.616 -1.103 6.488 149 1HE LYS 18 1HE LYS 18 1.535 0.961 7.795 150 2HE LYS 18 2HE LYS 18 3.199 0.447 7.530 151 1HZ LYS 18 1HZ LYS 18 1.788 2.574 6.004 152 2HZ LYS 18 2HZ LYS 18 3.394 2.094 5.776 153 3HZ LYS 18 3HZ LYS 18 2.930 2.828 7.225 154 H LYS 19 H LYS 19 2.061 -3.589 6.267 155 HA LYS 19 HA LYS 19 1.818 -2.735 9.068 156 1HB LYS 19 1HB LYS 19 -0.042 -2.106 7.641 157 2HB LYS 19 2HB LYS 19 -0.228 -3.759 7.085 158 1HG LYS 19 1HG LYS 19 -1.971 -3.217 8.653 159 2HG LYS 19 2HG LYS 19 -0.905 -4.436 9.345 160 1HD LYS 19 1HD LYS 19 0.221 -2.679 10.659 161 2HD LYS 19 2HD LYS 19 -0.887 -1.483 9.980 162 1HE LYS 19 1HE LYS 19 -2.783 -2.628 10.982 163 2HE LYS 19 2HE LYS 19 -1.723 -3.891 11.604 164 1HZ LYS 19 1HZ LYS 19 -2.236 -2.342 13.339 165 2HZ LYS 19 2HZ LYS 19 -1.721 -1.035 12.400 166 3HZ LYS 19 3HZ LYS 19 -0.603 -2.178 12.935 167 H ASP 20 H ASP 20 2.585 -5.437 7.160 168 HA ASP 20 HA ASP 20 2.875 -7.661 7.547 169 1HB ASP 20 1HB ASP 20 2.957 -6.723 10.431 170 2HB ASP 20 2HB ASP 20 3.376 -8.351 9.913 171 H LEU 21 H LEU 21 0.206 -6.510 7.432 172 HA LEU 21 HA LEU 21 -1.414 -8.007 9.343 173 1HB LEU 21 1HB LEU 21 -1.777 -5.577 8.754 174 2HB LEU 21 2HB LEU 21 -2.292 -6.096 7.168 175 HG LEU 21 HG LEU 21 -3.692 -7.004 9.686 176 1HD1 LEU 21 1HD1 LEU 21 -5.293 -5.202 9.335 177 2HD1 LEU 21 2HD1 LEU 21 -4.331 -4.588 7.991 178 3HD1 LEU 21 3HD1 LEU 21 -3.680 -4.555 9.631 179 1HD2 LEU 21 1HD2 LEU 21 -4.584 -6.838 6.800 180 2HD2 LEU 21 2HD2 LEU 21 -5.589 -7.347 8.157 181 3HD2 LEU 21 3HD2 LEU 21 -4.190 -8.311 7.686 182 H GLU 22 H GLU 22 -2.240 -9.930 8.847 183 HA GLU 22 HA GLU 22 -2.815 -10.545 6.023 184 1HB GLU 22 1HB GLU 22 -0.790 -11.753 6.788 185 2HB GLU 22 2HB GLU 22 -1.725 -12.468 8.095 186 1HG GLU 22 1HG GLU 22 -3.178 -13.552 6.409 187 2HG GLU 22 2HG GLU 22 -2.140 -12.900 5.141 188 H GLU 23 H GLU 23 -4.952 -10.584 5.862 189 HA GLU 23 HA GLU 23 -6.528 -11.968 7.928 190 1HB GLU 23 1HB GLU 23 -6.620 -9.457 8.238 191 2HB GLU 23 2HB GLU 23 -7.353 -9.351 6.647 192 1HG GLU 23 1HG GLU 23 -9.010 -9.213 8.431 193 2HG GLU 23 2HG GLU 23 -9.273 -10.609 7.388 194 H LEU 24 H LEU 24 -8.664 -12.607 7.166 195 HA LEU 24 HA LEU 24 -8.549 -13.702 4.508 196 1HB LEU 24 1HB LEU 24 -10.767 -13.751 6.569 197 2HB LEU 24 2HB LEU 24 -10.742 -14.692 5.088 198 HG LEU 24 HG LEU 24 -8.781 -14.978 7.377 199 1HD1 LEU 24 1HD1 LEU 24 -11.039 -16.783 6.497 200 2HD1 LEU 24 2HD1 LEU 24 -11.008 -15.795 7.958 201 3HD1 LEU 24 3HD1 LEU 24 -9.871 -17.128 7.773 202 1HD2 LEU 24 1HD2 LEU 24 -7.996 -16.965 6.161 203 2HD2 LEU 24 2HD2 LEU 24 -7.738 -15.486 5.237 204 3HD2 LEU 24 3HD2 LEU 24 -9.071 -16.565 4.820 205 H ILE 25 H ILE 25 -9.882 -13.224 2.781 206 HA ILE 25 HA ILE 25 -11.025 -10.548 2.720 207 HB ILE 25 HB ILE 25 -10.674 -12.625 0.537 208 1HG1 ILE 25 1HG1 ILE 25 -9.174 -10.041 1.079 209 2HG1 ILE 25 2HG1 ILE 25 -8.554 -11.666 1.355 210 1HG2 ILE 25 1HG2 ILE 25 -12.595 -11.226 0.044 211 2HG2 ILE 25 2HG2 ILE 25 -11.261 -10.828 -1.039 212 3HG2 ILE 25 3HG2 ILE 25 -11.638 -9.771 0.324 213 1HD1 ILE 25 1HD1 ILE 25 -7.649 -10.732 -0.683 214 2HD1 ILE 25 2HD1 ILE 25 -9.274 -10.471 -1.316 215 3HD1 ILE 25 3HD1 ILE 25 -8.684 -12.112 -1.051 216 H VAL 26 H VAL 26 -13.084 -10.317 3.375 217 HA VAL 26 HA VAL 26 -14.930 -12.588 3.086 218 HB VAL 26 HB VAL 26 -16.390 -11.367 4.700 219 1HG1 VAL 26 1HG1 VAL 26 -13.574 -11.932 5.641 220 2HG1 VAL 26 2HG1 VAL 26 -14.877 -13.110 5.477 221 3HG1 VAL 26 3HG1 VAL 26 -14.998 -11.823 6.677 222 1HG2 VAL 26 1HG2 VAL 26 -15.618 -9.085 4.268 223 2HG2 VAL 26 2HG2 VAL 26 -14.033 -9.483 4.931 224 3HG2 VAL 26 3HG2 VAL 26 -15.453 -9.488 5.977 225 H GLU 27 H GLU 27 -14.563 -9.177 2.257 226 HA GLU 27 HA GLU 27 -16.896 -9.448 0.475 227 1HB GLU 27 1HB GLU 27 -17.503 -8.067 2.415 228 2HB GLU 27 2HB GLU 27 -16.145 -6.999 2.091 229 1HG GLU 27 1HG GLU 27 -17.134 -6.330 -0.024 230 2HG GLU 27 2HG GLU 27 -18.467 -7.456 0.223 231 H MET 28 H MET 28 -16.301 -9.272 -1.555 232 HA MET 28 HA MET 28 -13.928 -7.676 -2.258 233 1HB MET 28 1HB MET 28 -15.455 -9.595 -4.040 234 2HB MET 28 2HB MET 28 -13.858 -8.918 -4.322 235 1HG MET 28 1HG MET 28 -13.600 -11.197 -3.697 236 2HG MET 28 2HG MET 28 -13.039 -10.207 -2.352 237 1HE MET 28 1HE MET 28 -13.938 -13.413 -2.399 238 2HE MET 28 2HE MET 28 -14.698 -13.522 -0.813 239 3HE MET 28 3HE MET 28 -13.182 -12.643 -1.006 240 H GLU 29 H GLU 29 -14.089 -6.228 -4.116 241 HA GLU 29 HA GLU 29 -16.396 -4.647 -4.254 242 1HB GLU 29 1HB GLU 29 -14.143 -3.901 -4.994 243 2HB GLU 29 2HB GLU 29 -14.255 -4.982 -6.375 244 1HG GLU 29 1HG GLU 29 -14.751 -2.716 -7.047 245 2HG GLU 29 2HG GLU 29 -16.187 -3.727 -7.205 246 H ASN 30 H ASN 30 -15.143 -6.912 -6.698 247 HA ASN 30 HA ASN 30 -17.839 -7.228 -7.814 248 1HB ASN 30 1HB ASN 30 -15.090 -8.015 -8.820 249 2HB ASN 30 2HB ASN 30 -16.570 -8.572 -9.589 250 1HD2 ASN 30 1HD2 ASN 30 -16.282 -5.368 -8.197 251 2HD2 ASN 30 2HD2 ASN 30 -16.293 -4.513 -9.694 252 HA PRO 31 HA PRO 31 -18.635 -11.064 -5.820 253 1HB PRO 31 1HB PRO 31 -19.597 -12.622 -7.901 254 2HB PRO 31 2HB PRO 31 -20.546 -11.422 -7.021 255 1HG PRO 31 1HG PRO 31 -19.138 -11.163 -9.652 256 2HG PRO 31 2HG PRO 31 -20.743 -10.572 -9.175 257 1HD PRO 31 1HD PRO 31 -18.642 -8.918 -9.294 258 2HD PRO 31 2HD PRO 31 -19.863 -8.752 -8.014 259 H ALA 32 H ALA 32 -16.432 -10.939 -8.443 260 HA ALA 32 HA ALA 32 -15.519 -13.668 -8.232 261 1HB ALA 32 1HB ALA 32 -13.823 -12.997 -9.868 262 2HB ALA 32 2HB ALA 32 -14.329 -11.314 -9.704 263 3HB ALA 32 3HB ALA 32 -15.439 -12.508 -10.379 264 H LEU 33 H LEU 33 -13.740 -10.590 -7.879 265 HA LEU 33 HA LEU 33 -12.717 -11.075 -5.313 266 1HB LEU 33 1HB LEU 33 -11.595 -12.917 -6.795 267 2HB LEU 33 2HB LEU 33 -10.614 -11.607 -7.415 268 HG LEU 33 HG LEU 33 -9.514 -12.955 -5.625 269 1HD1 LEU 33 1HD1 LEU 33 -9.957 -10.067 -4.881 270 2HD1 LEU 33 2HD1 LEU 33 -8.781 -10.665 -6.053 271 3HD1 LEU 33 3HD1 LEU 33 -8.624 -11.093 -4.350 272 1HD2 LEU 33 1HD2 LEU 33 -11.490 -13.431 -4.275 273 2HD2 LEU 33 2HD2 LEU 33 -11.600 -11.729 -3.822 274 3HD2 LEU 33 3HD2 LEU 33 -10.214 -12.693 -3.309 275 H TRP 34 H TRP 34 -11.240 -9.968 -8.363 276 HA TRP 34 HA TRP 34 -10.364 -7.497 -7.125 277 1HB TRP 34 1HB TRP 34 -10.054 -8.472 -9.986 278 2HB TRP 34 2HB TRP 34 -9.205 -7.111 -9.256 279 HD1 TRP 34 HD1 TRP 34 -9.384 -10.966 -9.003 280 HE1 TRP 34 HE1 TRP 34 -7.151 -11.817 -8.047 281 HE3 TRP 34 HE3 TRP 34 -7.169 -6.470 -8.001 282 HZ2 TRP 34 HZ2 TRP 34 -4.769 -10.723 -7.011 283 HZ3 TRP 34 HZ3 TRP 34 -4.909 -6.461 -7.032 284 HH2 TRP 34 HH2 TRP 34 -3.735 -8.543 -6.548 285 H GLY 35 H GLY 35 -10.803 -5.368 -8.150 286 1HA GLY 35 1HA GLY 35 -12.615 -4.878 -10.173 287 2HA GLY 35 2HA GLY 35 -13.591 -5.032 -8.720 288 H GLY 36 H GLY 36 -12.298 -3.754 -6.798 289 1HA GLY 36 1HA GLY 36 -11.342 -1.168 -7.644 290 2HA GLY 36 2HA GLY 36 -13.002 -1.137 -7.062 291 H LYS 37 H LYS 37 -13.274 -2.358 -4.885 292 HA LYS 37 HA LYS 37 -10.890 -2.022 -3.199 293 1HB LYS 37 1HB LYS 37 -12.349 -1.183 -1.354 294 2HB LYS 37 2HB LYS 37 -12.216 -0.088 -2.717 295 1HG LYS 37 1HG LYS 37 -14.460 0.016 -2.100 296 2HG LYS 37 2HG LYS 37 -14.449 -1.050 -3.502 297 1HD LYS 37 1HD LYS 37 -14.740 -2.983 -2.152 298 2HD LYS 37 2HD LYS 37 -14.392 -2.089 -0.672 299 1HE LYS 37 1HE LYS 37 -16.797 -2.563 -0.935 300 2HE LYS 37 2HE LYS 37 -16.458 -0.834 -0.900 301 1HZ LYS 37 1HZ LYS 37 -18.064 -1.391 -2.609 302 2HZ LYS 37 2HZ LYS 37 -16.972 -2.448 -3.342 303 3HZ LYS 37 3HZ LYS 37 -16.646 -0.791 -3.313 304 H VAL 38 H VAL 38 -11.190 -3.124 -1.041 305 HA VAL 38 HA VAL 38 -12.898 -5.482 -1.104 306 HB VAL 38 HB VAL 38 -10.822 -6.192 -2.250 307 1HG1 VAL 38 1HG1 VAL 38 -9.247 -4.650 -1.221 308 2HG1 VAL 38 2HG1 VAL 38 -8.702 -6.317 -1.030 309 3HG1 VAL 38 3HG1 VAL 38 -9.435 -5.468 0.332 310 1HG2 VAL 38 1HG2 VAL 38 -12.066 -7.834 -0.955 311 2HG2 VAL 38 2HG2 VAL 38 -11.164 -7.399 0.498 312 3HG2 VAL 38 3HG2 VAL 38 -10.336 -8.160 -0.863 313 H THR 39 H THR 39 -13.130 -6.449 0.988 314 HA THR 39 HA THR 39 -12.113 -4.782 3.201 315 HB THR 39 HB THR 39 -14.836 -6.106 3.062 316 HG1 THR 39 HG1 THR 39 -13.924 -3.723 2.140 317 1HG2 THR 39 1HG2 THR 39 -13.650 -4.223 5.119 318 2HG2 THR 39 2HG2 THR 39 -13.957 -5.945 5.354 319 3HG2 THR 39 3HG2 THR 39 -15.305 -4.833 5.113 320 H LEU 40 H LEU 40 -11.028 -5.818 4.711 321 HA LEU 40 HA LEU 40 -10.673 -8.674 4.581 322 1HB LEU 40 1HB LEU 40 -9.530 -6.550 6.402 323 2HB LEU 40 2HB LEU 40 -9.156 -8.252 6.573 324 HG LEU 40 HG LEU 40 -7.338 -7.261 5.415 325 1HD1 LEU 40 1HD1 LEU 40 -7.324 -8.443 3.284 326 2HD1 LEU 40 2HD1 LEU 40 -9.070 -8.668 3.385 327 3HD1 LEU 40 3HD1 LEU 40 -8.011 -9.442 4.565 328 1HD2 LEU 40 1HD2 LEU 40 -8.421 -5.200 4.692 329 2HD2 LEU 40 2HD2 LEU 40 -9.327 -6.091 3.467 330 3HD2 LEU 40 3HD2 LEU 40 -7.571 -5.971 3.354 331 H ALA 41 H ALA 41 -10.844 -10.033 6.518 332 HA ALA 41 HA ALA 41 -13.491 -10.113 7.406 333 1HB ALA 41 1HB ALA 41 -12.043 -12.086 7.232 334 2HB ALA 41 2HB ALA 41 -12.797 -11.966 8.821 335 3HB ALA 41 3HB ALA 41 -11.105 -11.515 8.612 336 H ASN 42 H ASN 42 -10.685 -8.614 8.835 337 HA ASN 42 HA ASN 42 -11.813 -8.337 11.453 338 1HB ASN 42 1HB ASN 42 -9.336 -8.357 10.911 339 2HB ASN 42 2HB ASN 42 -9.532 -6.726 10.280 340 1HD2 ASN 42 1HD2 ASN 42 -7.979 -7.807 12.559 341 2HD2 ASN 42 2HD2 ASN 42 -8.474 -6.881 13.931 342 H GLY 43 H GLY 43 -11.803 -6.421 8.516 343 1HA GLY 43 1HA GLY 43 -13.896 -5.029 8.392 344 2HA GLY 43 2HA GLY 43 -13.374 -4.338 9.919 345 H TRP 44 H TRP 44 -10.524 -4.666 8.504 346 HA TRP 44 HA TRP 44 -10.353 -1.934 7.721 347 1HB TRP 44 1HB TRP 44 -8.426 -4.245 7.588 348 2HB TRP 44 2HB TRP 44 -8.031 -2.699 6.846 349 HD1 TRP 44 HD1 TRP 44 -8.354 -0.523 8.720 350 HE1 TRP 44 HE1 TRP 44 -7.406 -0.442 11.111 351 HE3 TRP 44 HE3 TRP 44 -7.710 -5.535 9.517 352 HZ2 TRP 44 HZ2 TRP 44 -6.503 -2.252 13.066 353 HZ3 TRP 44 HZ3 TRP 44 -6.792 -6.273 11.677 354 HH2 TRP 44 HH2 TRP 44 -6.199 -4.663 13.415 355 H GLN 45 H GLN 45 -10.197 -1.004 5.735 356 HA GLN 45 HA GLN 45 -11.100 -2.622 3.452 357 1HB GLN 45 1HB GLN 45 -11.137 0.376 3.877 358 2HB GLN 45 2HB GLN 45 -11.722 -0.446 2.437 359 1HG GLN 45 1HG GLN 45 -13.464 -1.530 3.721 360 2HG GLN 45 2HG GLN 45 -12.844 -0.820 5.211 361 1HE2 GLN 45 1HE2 GLN 45 -12.257 1.756 3.992 362 2HE2 GLN 45 2HE2 GLN 45 -13.779 2.529 3.726 363 H LEU 46 H LEU 46 -9.913 -2.797 1.645 364 HA LEU 46 HA LEU 46 -7.461 -1.188 1.354 365 1HB LEU 46 1HB LEU 46 -6.844 -3.423 2.150 366 2HB LEU 46 2HB LEU 46 -7.784 -4.160 0.867 367 HG LEU 46 HG LEU 46 -6.226 -3.096 -0.794 368 1HD1 LEU 46 1HD1 LEU 46 -5.379 -1.283 0.593 369 2HD1 LEU 46 2HD1 LEU 46 -4.057 -2.290 0.005 370 3HD1 LEU 46 3HD1 LEU 46 -4.609 -2.447 1.673 371 1HD2 LEU 46 1HD2 LEU 46 -4.979 -4.976 1.215 372 2HD2 LEU 46 2HD2 LEU 46 -4.419 -4.705 -0.436 373 3HD2 LEU 46 3HD2 LEU 46 -5.998 -5.437 -0.150 374 H GLU 47 H GLU 47 -7.041 -0.519 -0.743 375 HA GLU 47 HA GLU 47 -9.224 -0.741 -2.622 376 1HB GLU 47 1HB GLU 47 -7.800 1.350 -2.217 377 2HB GLU 47 2HB GLU 47 -6.537 0.542 -3.135 378 1HG GLU 47 1HG GLU 47 -7.983 0.433 -5.081 379 2HG GLU 47 2HG GLU 47 -9.300 1.166 -4.164 380 H LEU 48 H LEU 48 -9.378 -2.218 -4.169 381 HA LEU 48 HA LEU 48 -7.035 -3.922 -4.723 382 1HB LEU 48 1HB LEU 48 -9.055 -4.886 -3.455 383 2HB LEU 48 2HB LEU 48 -9.920 -4.768 -4.975 384 HG LEU 48 HG LEU 48 -8.262 -6.287 -6.018 385 1HD1 LEU 48 1HD1 LEU 48 -6.681 -7.506 -4.588 386 2HD1 LEU 48 2HD1 LEU 48 -7.142 -6.497 -3.217 387 3HD1 LEU 48 3HD1 LEU 48 -6.336 -5.778 -4.610 388 1HD2 LEU 48 1HD2 LEU 48 -9.006 -8.323 -4.892 389 2HD2 LEU 48 2HD2 LEU 48 -10.335 -7.180 -5.077 390 3HD2 LEU 48 3HD2 LEU 48 -9.549 -7.372 -3.509 391 HA PRO 49 HA PRO 49 -7.683 -1.679 -8.613 392 1HB PRO 49 1HB PRO 49 -5.479 -2.777 -9.877 393 2HB PRO 49 2HB PRO 49 -5.429 -1.359 -8.825 394 1HG PRO 49 1HG PRO 49 -4.802 -4.218 -8.184 395 2HG PRO 49 2HG PRO 49 -3.942 -2.745 -7.692 396 1HD PRO 49 1HD PRO 49 -5.587 -4.021 -6.004 397 2HD PRO 49 2HD PRO 49 -5.494 -2.248 -6.028 398 H ALA 50 H ALA 50 -8.418 -2.193 -10.666 399 HA ALA 50 HA ALA 50 -9.704 -4.714 -10.949 400 1HB ALA 50 1HB ALA 50 -9.342 -2.503 -12.978 401 2HB ALA 50 2HB ALA 50 -10.688 -2.667 -11.848 402 3HB ALA 50 3HB ALA 50 -10.454 -3.866 -13.122 403 H MET 51 H MET 51 -8.108 -6.271 -10.903 404 HA MET 51 HA MET 51 -6.399 -6.451 -13.304 405 1HB MET 51 1HB MET 51 -6.026 -7.775 -10.597 406 2HB MET 51 2HB MET 51 -4.962 -7.971 -11.985 407 1HG MET 51 1HG MET 51 -5.463 -5.403 -10.491 408 2HG MET 51 2HG MET 51 -4.028 -6.419 -10.363 409 1HE MET 51 1HE MET 51 -2.776 -3.192 -12.264 410 2HE MET 51 2HE MET 51 -2.573 -4.202 -10.833 411 3HE MET 51 3HE MET 51 -4.039 -3.242 -11.035 412 H ALA 52 H ALA 52 -5.842 -9.069 -13.423 413 HA ALA 52 HA ALA 52 -8.115 -10.277 -14.496 414 1HB ALA 52 1HB ALA 52 -5.617 -11.617 -13.448 415 2HB ALA 52 2HB ALA 52 -5.842 -10.969 -15.072 416 3HB ALA 52 3HB ALA 52 -6.800 -12.346 -14.532 417 H ALA 53 H ALA 53 -9.893 -10.899 -13.472 418 HA ALA 53 HA ALA 53 -10.177 -11.132 -10.698 419 1HB ALA 53 1HB ALA 53 -12.385 -12.078 -11.178 420 2HB ALA 53 2HB ALA 53 -11.924 -12.316 -12.864 421 3HB ALA 53 3HB ALA 53 -12.057 -10.684 -12.208 422 H ASP 54 H ASP 54 -9.964 -13.650 -13.193 423 HA ASP 54 HA ASP 54 -9.742 -15.758 -11.238 424 1HB ASP 54 1HB ASP 54 -9.519 -15.750 -14.256 425 2HB ASP 54 2HB ASP 54 -9.316 -17.200 -13.279 426 H THR 55 H THR 55 -7.910 -14.728 -10.170 427 HA THR 55 HA THR 55 -5.367 -15.587 -11.391 428 HB THR 55 HB THR 55 -4.415 -14.047 -9.468 429 HG1 THR 55 HG1 THR 55 -6.776 -12.578 -9.990 430 1HG2 THR 55 1HG2 THR 55 -5.639 -12.889 -11.981 431 2HG2 THR 55 2HG2 THR 55 -4.050 -13.643 -11.854 432 3HG2 THR 55 3HG2 THR 55 -4.379 -12.132 -11.007 433 HA PRO 56 HA PRO 56 -6.011 -18.571 -8.007 434 1HB PRO 56 1HB PRO 56 -4.648 -20.611 -9.111 435 2HB PRO 56 2HB PRO 56 -6.270 -20.175 -9.663 436 1HG PRO 56 1HG PRO 56 -3.611 -19.486 -10.874 437 2HG PRO 56 2HG PRO 56 -5.090 -20.049 -11.675 438 1HD PRO 56 1HD PRO 56 -4.344 -17.418 -11.575 439 2HD PRO 56 2HD PRO 56 -6.034 -17.950 -11.680 440 H LEU 57 H LEU 57 -3.289 -16.961 -9.156 441 HA LEU 57 HA LEU 57 -1.478 -18.244 -7.241 442 1HB LEU 57 1HB LEU 57 0.298 -16.919 -8.493 443 2HB LEU 57 2HB LEU 57 -0.473 -18.237 -9.350 444 HG LEU 57 HG LEU 57 -1.982 -16.459 -10.421 445 1HD1 LEU 57 1HD1 LEU 57 -1.525 -14.607 -8.921 446 2HD1 LEU 57 2HD1 LEU 57 -1.046 -14.198 -10.566 447 3HD1 LEU 57 3HD1 LEU 57 0.180 -14.631 -9.373 448 1HD2 LEU 57 1HD2 LEU 57 0.973 -16.465 -11.043 449 2HD2 LEU 57 2HD2 LEU 57 -0.311 -15.937 -12.132 450 3HD2 LEU 57 3HD2 LEU 57 -0.219 -17.625 -11.630 451 HA PRO 58 HA PRO 58 -1.555 -14.686 -4.570 452 1HB PRO 58 1HB PRO 58 0.876 -14.927 -3.372 453 2HB PRO 58 2HB PRO 58 -0.484 -15.991 -2.993 454 1HG PRO 58 1HG PRO 58 1.864 -16.481 -4.789 455 2HG PRO 58 2HG PRO 58 1.099 -17.576 -3.623 456 1HD PRO 58 1HD PRO 58 0.623 -17.697 -6.302 457 2HD PRO 58 2HD PRO 58 -0.586 -18.161 -5.086 458 H ILE 59 H ILE 59 -1.560 -13.067 -6.144 459 HA ILE 59 HA ILE 59 0.983 -12.146 -7.247 460 HB ILE 59 HB ILE 59 -0.822 -12.304 -8.836 461 1HG1 ILE 59 1HG1 ILE 59 -0.291 -9.394 -8.157 462 2HG1 ILE 59 2HG1 ILE 59 0.733 -10.423 -9.152 463 1HG2 ILE 59 1HG2 ILE 59 -2.899 -11.028 -8.632 464 2HG2 ILE 59 2HG2 ILE 59 -2.386 -10.442 -7.050 465 3HG2 ILE 59 3HG2 ILE 59 -2.701 -12.160 -7.294 466 1HD1 ILE 59 1HD1 ILE 59 -1.062 -10.606 -10.800 467 2HD1 ILE 59 2HD1 ILE 59 -0.597 -8.928 -10.515 468 3HD1 ILE 59 3HD1 ILE 59 -2.079 -9.566 -9.802 469 H THR 60 H THR 60 1.874 -10.174 -6.821 470 HA THR 60 HA THR 60 0.869 -8.765 -4.448 471 HB THR 60 HB THR 60 3.585 -8.609 -5.794 472 HG1 THR 60 HG1 THR 60 3.414 -10.601 -4.827 473 1HG2 THR 60 1HG2 THR 60 4.295 -7.461 -3.744 474 2HG2 THR 60 2HG2 THR 60 2.642 -7.521 -3.133 475 3HG2 THR 60 3HG2 THR 60 3.019 -6.562 -4.564 476 H VAL 61 H VAL 61 -0.102 -6.845 -4.698 477 HA VAL 61 HA VAL 61 0.398 -5.282 -7.152 478 HB VAL 61 HB VAL 61 -1.983 -4.566 -7.119 479 1HG1 VAL 61 1HG1 VAL 61 -2.917 -6.618 -8.067 480 2HG1 VAL 61 2HG1 VAL 61 -1.592 -7.551 -7.370 481 3HG1 VAL 61 3HG1 VAL 61 -1.263 -6.354 -8.622 482 1HG2 VAL 61 1HG2 VAL 61 -2.477 -4.996 -4.764 483 2HG2 VAL 61 2HG2 VAL 61 -2.313 -6.731 -5.034 484 3HG2 VAL 61 3HG2 VAL 61 -3.623 -5.839 -5.808 485 H GLU 62 H GLU 62 -0.698 -3.002 -6.809 486 HA GLU 62 HA GLU 62 0.674 -1.735 -4.667 487 1HB GLU 62 1HB GLU 62 -1.387 -0.708 -6.629 488 2HB GLU 62 2HB GLU 62 -0.601 0.316 -5.436 489 1HG GLU 62 1HG GLU 62 0.444 0.522 -7.630 490 2HG GLU 62 2HG GLU 62 1.567 -0.129 -6.437 491 H ALA 63 H ALA 63 -0.202 -0.606 -2.897 492 HA ALA 63 HA ALA 63 -2.812 -1.633 -1.979 493 1HB ALA 63 1HB ALA 63 -1.919 -1.657 0.290 494 2HB ALA 63 2HB ALA 63 -0.370 -1.049 -0.295 495 3HB ALA 63 3HB ALA 63 -0.926 -2.652 -0.774 496 H ARG 64 H ARG 64 -4.264 -0.171 -1.365 497 HA ARG 64 HA ARG 64 -3.375 2.480 -0.462 498 1HB ARG 64 1HB ARG 64 -4.121 2.841 -2.731 499 2HB ARG 64 2HB ARG 64 -5.582 1.907 -2.456 500 1HG ARG 64 1HG ARG 64 -6.131 4.244 -2.482 501 2HG ARG 64 2HG ARG 64 -6.344 3.622 -0.845 502 1HD ARG 64 1HD ARG 64 -4.099 4.528 -0.266 503 2HD ARG 64 2HD ARG 64 -4.010 5.239 -1.879 504 HE ARG 64 HE ARG 64 -6.334 5.975 -0.298 505 1HH1 ARG 64 1HH1 ARG 64 -3.097 6.834 -1.340 506 2HH1 ARG 64 2HH1 ARG 64 -3.272 8.510 -0.915 507 1HH2 ARG 64 1HH2 ARG 64 -6.557 8.181 0.258 508 2HH2 ARG 64 2HH2 ARG 64 -5.235 9.274 -0.024 509 H LYS 65 H LYS 65 -4.143 2.880 1.493 510 HA LYS 65 HA LYS 65 -6.089 1.098 2.669 511 1HB LYS 65 1HB LYS 65 -4.149 1.678 3.980 512 2HB LYS 65 2HB LYS 65 -4.465 3.395 3.781 513 1HG LYS 65 1HG LYS 65 -5.058 2.616 6.016 514 2HG LYS 65 2HG LYS 65 -6.467 3.218 5.142 515 1HD LYS 65 1HD LYS 65 -7.128 0.914 4.615 516 2HD LYS 65 2HD LYS 65 -5.709 0.307 5.475 517 1HE LYS 65 1HE LYS 65 -7.763 0.179 6.835 518 2HE LYS 65 2HE LYS 65 -6.544 1.224 7.561 519 1HZ LYS 65 1HZ LYS 65 -8.943 2.096 6.044 520 2HZ LYS 65 2HZ LYS 65 -7.740 3.137 6.613 521 3HZ LYS 65 3HZ LYS 65 -8.684 2.262 7.707 522 H LEU 66 H LEU 66 -8.203 1.471 2.704 523 HA LEU 66 HA LEU 66 -9.234 4.186 2.324 524 1HB LEU 66 1HB LEU 66 -10.581 1.479 2.312 525 2HB LEU 66 2HB LEU 66 -11.480 2.982 2.278 526 HG LEU 66 HG LEU 66 -10.366 3.562 0.126 527 1HD1 LEU 66 1HD1 LEU 66 -8.333 2.254 0.366 528 2HD1 LEU 66 2HD1 LEU 66 -9.187 1.828 -1.115 529 3HD1 LEU 66 3HD1 LEU 66 -9.267 0.760 0.286 530 1HD2 LEU 66 1HD2 LEU 66 -11.842 0.928 0.148 531 2HD2 LEU 66 2HD2 LEU 66 -11.644 1.993 -1.244 532 3HD2 LEU 66 3HD2 LEU 66 -12.577 2.531 0.151 Start of MODEL 12 1 H MET 1 H MET 1 3.744 2.128 -0.621 2 HA MET 1 HA MET 1 2.854 0.300 0.629 3 1HB MET 1 1HB MET 1 0.902 1.231 -1.497 4 2HB MET 1 2HB MET 1 0.480 0.602 0.090 5 1HG MET 1 1HG MET 1 2.009 3.145 -0.429 6 2HG MET 1 2HG MET 1 0.294 3.040 -0.035 7 1HE MET 1 1HE MET 1 0.142 0.806 2.150 8 2HE MET 1 2HE MET 1 -0.662 2.369 2.295 9 3HE MET 1 3HE MET 1 0.318 1.754 3.626 10 H LYS 2 H LYS 2 3.041 -1.865 0.617 11 HA LYS 2 HA LYS 2 2.634 -3.291 -1.939 12 1HB LYS 2 1HB LYS 2 4.966 -3.282 -1.082 13 2HB LYS 2 2HB LYS 2 4.409 -4.056 0.397 14 1HG LYS 2 1HG LYS 2 3.614 -5.972 -1.001 15 2HG LYS 2 2HG LYS 2 4.384 -5.208 -2.390 16 1HD LYS 2 1HD LYS 2 5.794 -6.088 0.140 17 2HD LYS 2 2HD LYS 2 5.784 -6.975 -1.382 18 1HE LYS 2 1HE LYS 2 7.839 -5.848 -1.375 19 2HE LYS 2 2HE LYS 2 6.810 -4.866 -2.416 20 1HZ LYS 2 1HZ LYS 2 6.505 -3.296 -0.660 21 2HZ LYS 2 2HZ LYS 2 8.162 -3.584 -0.805 22 3HZ LYS 2 3HZ LYS 2 7.292 -4.290 0.458 23 H VAL 3 H VAL 3 1.243 -4.980 -2.012 24 HA VAL 3 HA VAL 3 0.434 -6.309 0.459 25 HB VAL 3 HB VAL 3 -1.258 -4.528 0.093 26 1HG1 VAL 3 1HG1 VAL 3 -2.812 -4.666 -1.796 27 2HG1 VAL 3 2HG1 VAL 3 -1.859 -5.981 -2.486 28 3HG1 VAL 3 3HG1 VAL 3 -1.160 -4.368 -2.338 29 1HG2 VAL 3 1HG2 VAL 3 -2.295 -7.337 -0.309 30 2HG2 VAL 3 2HG2 VAL 3 -3.240 -5.964 0.269 31 3HG2 VAL 3 3HG2 VAL 3 -1.898 -6.578 1.232 32 H MET 4 H MET 4 0.007 -8.459 0.183 33 HA MET 4 HA MET 4 0.315 -9.541 -2.546 34 1HB MET 4 1HB MET 4 2.142 -10.177 -1.039 35 2HB MET 4 2HB MET 4 0.987 -10.801 0.130 36 1HG MET 4 1HG MET 4 0.264 -12.477 -1.553 37 2HG MET 4 2HG MET 4 1.542 -11.899 -2.621 38 1HE MET 4 1HE MET 4 4.155 -12.093 -2.033 39 2HE MET 4 2HE MET 4 4.763 -12.800 -0.535 40 3HE MET 4 3HE MET 4 3.876 -11.276 -0.497 41 H ILE 5 H ILE 5 -1.548 -10.245 -3.368 42 HA ILE 5 HA ILE 5 -3.765 -10.971 -1.632 43 HB ILE 5 HB ILE 5 -3.620 -10.928 -4.660 44 1HG1 ILE 5 1HG1 ILE 5 -3.240 -8.695 -3.721 45 2HG1 ILE 5 2HG1 ILE 5 -4.820 -8.775 -4.490 46 1HG2 ILE 5 1HG2 ILE 5 -5.400 -12.379 -3.865 47 2HG2 ILE 5 2HG2 ILE 5 -6.085 -10.907 -4.552 48 3HG2 ILE 5 3HG2 ILE 5 -5.998 -11.105 -2.802 49 1HD1 ILE 5 1HD1 ILE 5 -4.289 -8.934 -1.529 50 2HD1 ILE 5 2HD1 ILE 5 -5.873 -9.013 -2.300 51 3HD1 ILE 5 3HD1 ILE 5 -4.913 -7.537 -2.407 52 H ARG 6 H ARG 6 -3.915 -12.973 -0.878 53 HA ARG 6 HA ARG 6 -2.690 -15.186 -2.388 54 1HB ARG 6 1HB ARG 6 -3.476 -15.070 0.537 55 2HB ARG 6 2HB ARG 6 -2.641 -16.398 -0.259 56 1HG ARG 6 1HG ARG 6 -0.735 -14.887 -0.712 57 2HG ARG 6 2HG ARG 6 -1.568 -13.610 0.177 58 1HD ARG 6 1HD ARG 6 0.056 -14.690 1.618 59 2HD ARG 6 2HD ARG 6 -1.577 -15.048 2.186 60 HE ARG 6 HE ARG 6 -0.545 -17.052 0.410 61 1HH1 ARG 6 1HH1 ARG 6 -0.616 -15.979 3.743 62 2HH1 ARG 6 2HH1 ARG 6 -0.215 -17.542 4.381 63 1HH2 ARG 6 1HH2 ARG 6 -0.023 -19.103 1.249 64 2HH2 ARG 6 2HH2 ARG 6 0.127 -19.314 2.968 65 H LYS 7 H LYS 7 -3.898 -16.935 -2.997 66 HA LYS 7 HA LYS 7 -6.672 -17.123 -2.052 67 1HB LYS 7 1HB LYS 7 -5.878 -17.323 -4.967 68 2HB LYS 7 2HB LYS 7 -7.487 -17.575 -4.315 69 1HG LYS 7 1HG LYS 7 -7.383 -15.157 -3.520 70 2HG LYS 7 2HG LYS 7 -5.955 -14.996 -4.553 71 1HD LYS 7 1HD LYS 7 -8.738 -15.800 -5.412 72 2HD LYS 7 2HD LYS 7 -7.913 -14.285 -5.787 73 1HE LYS 7 1HE LYS 7 -6.322 -15.406 -7.168 74 2HE LYS 7 2HE LYS 7 -6.875 -16.989 -6.627 75 1HZ LYS 7 1HZ LYS 7 -8.384 -15.067 -8.303 76 2HZ LYS 7 2HZ LYS 7 -9.028 -16.501 -7.687 77 3HZ LYS 7 3HZ LYS 7 -7.744 -16.558 -8.785 78 H THR 8 H THR 8 -7.281 -19.145 -1.620 79 HA THR 8 HA THR 8 -5.556 -21.371 -2.510 80 HB THR 8 HB THR 8 -7.545 -21.324 -0.218 81 HG1 THR 8 HG1 THR 8 -4.840 -20.653 -0.414 82 1HG2 THR 8 1HG2 THR 8 -7.176 -23.577 -1.107 83 2HG2 THR 8 2HG2 THR 8 -6.431 -23.408 0.482 84 3HG2 THR 8 3HG2 THR 8 -5.433 -23.357 -0.972 85 H ALA 9 H ALA 9 -8.942 -20.602 -1.814 86 HA ALA 9 HA ALA 9 -9.906 -21.378 -4.344 87 1HB ALA 9 1HB ALA 9 -9.524 -23.656 -3.530 88 2HB ALA 9 2HB ALA 9 -11.251 -23.335 -3.699 89 3HB ALA 9 3HB ALA 9 -10.505 -23.320 -2.101 90 H THR 10 H THR 10 -11.842 -22.160 -1.507 91 HA THR 10 HA THR 10 -13.426 -19.772 -1.787 92 HB THR 10 HB THR 10 -14.395 -21.911 -0.913 93 HG1 THR 10 HG1 THR 10 -14.965 -19.515 -0.212 94 1HG2 THR 10 1HG2 THR 10 -13.987 -22.557 1.412 95 2HG2 THR 10 2HG2 THR 10 -12.790 -21.272 1.571 96 3HG2 THR 10 3HG2 THR 10 -12.491 -22.623 0.477 97 H GLY 11 H GLY 11 -10.699 -20.843 0.063 98 1HA GLY 11 1HA GLY 11 -10.640 -18.730 1.975 99 2HA GLY 11 2HA GLY 11 -9.310 -19.805 1.560 100 H HIS 12 H HIS 12 -10.785 -16.749 1.017 101 HA HIS 12 HA HIS 12 -8.596 -15.955 -0.794 102 1HB HIS 12 1HB HIS 12 -11.223 -14.546 -0.187 103 2HB HIS 12 2HB HIS 12 -9.999 -13.979 -1.315 104 HD1 HIS 12 HD1 HIS 12 -12.725 -16.539 -0.951 105 HD2 HIS 12 HD2 HIS 12 -9.988 -15.247 -3.807 106 HE1 HIS 12 HE1 HIS 12 -13.461 -17.581 -3.115 107 HE2 HIS 12 HE2 HIS 12 -11.844 -16.721 -4.841 108 H SER 13 H SER 13 -6.972 -14.822 0.147 109 HA SER 13 HA SER 13 -7.582 -13.201 2.519 110 1HB SER 13 1HB SER 13 -5.406 -14.025 3.524 111 2HB SER 13 2HB SER 13 -6.695 -15.226 3.451 112 HG SER 13 HG SER 13 -4.758 -16.121 2.723 113 H ALA 14 H ALA 14 -5.906 -11.602 3.001 114 HA ALA 14 HA ALA 14 -4.172 -10.931 0.729 115 1HB ALA 14 1HB ALA 14 -4.848 -8.617 0.756 116 2HB ALA 14 2HB ALA 14 -5.950 -8.913 2.099 117 3HB ALA 14 3HB ALA 14 -6.274 -9.628 0.520 118 H TYR 15 H TYR 15 -2.187 -10.782 1.465 119 HA TYR 15 HA TYR 15 -1.652 -10.127 4.249 120 1HB TYR 15 1HB TYR 15 -0.374 -11.970 3.428 121 2HB TYR 15 2HB TYR 15 0.073 -11.103 1.962 122 HD1 TYR 15 HD1 TYR 15 2.286 -10.453 1.862 123 HD2 TYR 15 HD2 TYR 15 0.376 -10.544 5.670 124 HE1 TYR 15 HE1 TYR 15 4.370 -9.699 2.919 125 HE2 TYR 15 HE2 TYR 15 2.461 -9.793 6.734 126 HH TYR 15 HH TYR 15 4.798 -9.680 6.353 127 H VAL 16 H VAL 16 -1.896 -7.990 4.572 128 HA VAL 16 HA VAL 16 -0.939 -5.997 2.737 129 HB VAL 16 HB VAL 16 -1.808 -5.665 5.628 130 1HG1 VAL 16 1HG1 VAL 16 -2.188 -3.315 5.015 131 2HG1 VAL 16 2HG1 VAL 16 -1.539 -3.633 3.405 132 3HG1 VAL 16 3HG1 VAL 16 -0.496 -3.775 4.820 133 1HG2 VAL 16 1HG2 VAL 16 -3.593 -6.661 4.286 134 2HG2 VAL 16 2HG2 VAL 16 -3.427 -5.378 3.087 135 3HG2 VAL 16 3HG2 VAL 16 -3.990 -4.998 4.714 136 H ALA 17 H ALA 17 1.244 -6.370 2.456 137 HA ALA 17 HA ALA 17 3.133 -7.016 4.383 138 1HB ALA 17 1HB ALA 17 3.543 -7.164 1.969 139 2HB ALA 17 2HB ALA 17 4.816 -6.253 2.783 140 3HB ALA 17 3HB ALA 17 3.573 -5.403 1.865 141 H LYS 18 H LYS 18 1.827 -3.902 3.479 142 HA LYS 18 HA LYS 18 3.559 -2.143 4.707 143 1HB LYS 18 1HB LYS 18 1.764 -1.288 3.395 144 2HB LYS 18 2HB LYS 18 0.557 -2.087 4.391 145 1HG LYS 18 1HG LYS 18 0.620 0.332 4.764 146 2HG LYS 18 2HG LYS 18 1.012 -0.573 6.226 147 1HD LYS 18 1HD LYS 18 3.406 -0.162 5.830 148 2HD LYS 18 2HD LYS 18 3.005 0.756 4.376 149 1HE LYS 18 1HE LYS 18 1.873 2.432 5.666 150 2HE LYS 18 2HE LYS 18 2.005 1.462 7.133 151 1HZ LYS 18 1HZ LYS 18 4.282 2.630 5.637 152 2HZ LYS 18 2HZ LYS 18 4.395 1.723 7.061 153 3HZ LYS 18 3HZ LYS 18 3.637 3.237 7.079 154 H LYS 19 H LYS 19 0.736 -3.730 6.184 155 HA LYS 19 HA LYS 19 1.567 -2.776 8.827 156 1HB LYS 19 1HB LYS 19 -0.864 -2.751 7.706 157 2HB LYS 19 2HB LYS 19 -0.934 -4.373 8.367 158 1HG LYS 19 1HG LYS 19 -0.297 -1.952 10.045 159 2HG LYS 19 2HG LYS 19 -1.941 -2.522 9.770 160 1HD LYS 19 1HD LYS 19 -1.360 -4.683 10.773 161 2HD LYS 19 2HD LYS 19 0.291 -4.121 11.033 162 1HE LYS 19 1HE LYS 19 -0.553 -2.355 12.521 163 2HE LYS 19 2HE LYS 19 -2.200 -2.939 12.271 164 1HZ LYS 19 1HZ LYS 19 -1.586 -5.035 13.273 165 2HZ LYS 19 2HZ LYS 19 -1.233 -3.773 14.337 166 3HZ LYS 19 3HZ LYS 19 0.013 -4.522 13.470 167 H ASP 20 H ASP 20 2.156 -5.359 6.873 168 HA ASP 20 HA ASP 20 2.795 -7.531 7.104 169 1HB ASP 20 1HB ASP 20 4.427 -6.501 8.700 170 2HB ASP 20 2HB ASP 20 3.282 -6.776 10.006 171 H LEU 21 H LEU 21 0.080 -6.699 7.470 172 HA LEU 21 HA LEU 21 -1.024 -8.630 9.399 173 1HB LEU 21 1HB LEU 21 -1.623 -6.229 9.678 174 2HB LEU 21 2HB LEU 21 -2.312 -6.225 8.071 175 HG LEU 21 HG LEU 21 -3.387 -7.994 10.280 176 1HD1 LEU 21 1HD1 LEU 21 -4.304 -5.220 9.509 177 2HD1 LEU 21 2HD1 LEU 21 -3.487 -5.655 11.012 178 3HD1 LEU 21 3HD1 LEU 21 -5.094 -6.292 10.666 179 1HD2 LEU 21 1HD2 LEU 21 -5.443 -7.944 8.917 180 2HD2 LEU 21 2HD2 LEU 21 -4.087 -8.645 8.038 181 3HD2 LEU 21 3HD2 LEU 21 -4.600 -6.993 7.693 182 H GLU 22 H GLU 22 -1.657 -10.489 8.481 183 HA GLU 22 HA GLU 22 -2.862 -10.386 5.789 184 1HB GLU 22 1HB GLU 22 -0.950 -11.958 6.073 185 2HB GLU 22 2HB GLU 22 -1.862 -12.805 7.317 186 1HG GLU 22 1HG GLU 22 -3.609 -13.309 5.629 187 2HG GLU 22 2HG GLU 22 -2.590 -12.559 4.400 188 H GLU 23 H GLU 23 -4.984 -10.880 5.557 189 HA GLU 23 HA GLU 23 -6.438 -12.053 7.805 190 1HB GLU 23 1HB GLU 23 -6.355 -9.512 8.042 191 2HB GLU 23 2HB GLU 23 -7.320 -9.432 6.575 192 1HG GLU 23 1HG GLU 23 -8.691 -9.203 8.575 193 2HG GLU 23 2HG GLU 23 -9.117 -10.648 7.656 194 H LEU 24 H LEU 24 -8.665 -12.623 7.221 195 HA LEU 24 HA LEU 24 -8.815 -13.668 4.542 196 1HB LEU 24 1HB LEU 24 -10.824 -13.698 6.804 197 2HB LEU 24 2HB LEU 24 -11.020 -14.555 5.285 198 HG LEU 24 HG LEU 24 -8.882 -15.082 7.362 199 1HD1 LEU 24 1HD1 LEU 24 -11.088 -15.855 8.045 200 2HD1 LEU 24 2HD1 LEU 24 -10.034 -17.218 7.671 201 3HD1 LEU 24 3HD1 LEU 24 -11.274 -16.720 6.518 202 1HD2 LEU 24 1HD2 LEU 24 -8.258 -17.000 5.960 203 2HD2 LEU 24 2HD2 LEU 24 -8.010 -15.471 5.118 204 3HD2 LEU 24 3HD2 LEU 24 -9.407 -16.474 4.727 205 H ILE 25 H ILE 25 -10.095 -13.007 2.900 206 HA ILE 25 HA ILE 25 -11.139 -10.307 2.998 207 HB ILE 25 HB ILE 25 -10.986 -12.320 0.739 208 1HG1 ILE 25 1HG1 ILE 25 -9.340 -9.832 1.306 209 2HG1 ILE 25 2HG1 ILE 25 -8.797 -11.490 1.538 210 1HG2 ILE 25 1HG2 ILE 25 -11.530 -10.430 -0.745 211 2HG2 ILE 25 2HG2 ILE 25 -11.807 -9.416 0.671 212 3HG2 ILE 25 3HG2 ILE 25 -12.846 -10.808 0.365 213 1HD1 ILE 25 1HD1 ILE 25 -7.896 -10.565 -0.501 214 2HD1 ILE 25 2HD1 ILE 25 -9.520 -10.209 -1.087 215 3HD1 ILE 25 3HD1 ILE 25 -9.007 -11.883 -0.870 216 H VAL 26 H VAL 26 -13.215 -9.824 3.387 217 HA VAL 26 HA VAL 26 -15.162 -12.045 3.396 218 HB VAL 26 HB VAL 26 -16.382 -10.799 5.145 219 1HG1 VAL 26 1HG1 VAL 26 -13.483 -11.362 5.791 220 2HG1 VAL 26 2HG1 VAL 26 -14.799 -12.537 5.782 221 3HG1 VAL 26 3HG1 VAL 26 -14.789 -11.233 6.969 222 1HG2 VAL 26 1HG2 VAL 26 -15.655 -8.525 4.603 223 2HG2 VAL 26 2HG2 VAL 26 -14.005 -8.924 5.087 224 3HG2 VAL 26 3HG2 VAL 26 -15.298 -8.909 6.288 225 H GLU 27 H GLU 27 -14.662 -8.687 2.472 226 HA GLU 27 HA GLU 27 -17.202 -8.765 0.972 227 1HB GLU 27 1HB GLU 27 -17.447 -7.425 3.047 228 2HB GLU 27 2HB GLU 27 -16.104 -6.413 2.547 229 1HG GLU 27 1HG GLU 27 -18.561 -6.672 0.843 230 2HG GLU 27 2HG GLU 27 -18.516 -5.567 2.214 231 H MET 28 H MET 28 -16.897 -8.390 -1.144 232 HA MET 28 HA MET 28 -14.478 -6.912 -1.984 233 1HB MET 28 1HB MET 28 -15.682 -9.065 -3.709 234 2HB MET 28 2HB MET 28 -14.051 -8.416 -3.729 235 1HG MET 28 1HG MET 28 -13.874 -10.602 -2.897 236 2HG MET 28 2HG MET 28 -13.706 -9.545 -1.495 237 1HE MET 28 1HE MET 28 -15.597 -12.769 -0.151 238 2HE MET 28 2HE MET 28 -14.167 -11.758 0.043 239 3HE MET 28 3HE MET 28 -14.377 -12.716 -1.423 240 H GLU 29 H GLU 29 -14.762 -5.386 -3.579 241 HA GLU 29 HA GLU 29 -17.281 -4.314 -4.124 242 1HB GLU 29 1HB GLU 29 -15.140 -3.091 -4.428 243 2HB GLU 29 2HB GLU 29 -14.786 -4.091 -5.831 244 1HG GLU 29 1HG GLU 29 -16.853 -3.216 -6.906 245 2HG GLU 29 2HG GLU 29 -17.059 -2.133 -5.531 246 H ASN 30 H ASN 30 -15.392 -6.731 -5.792 247 HA ASN 30 HA ASN 30 -17.496 -7.036 -7.829 248 1HB ASN 30 1HB ASN 30 -15.150 -6.521 -8.610 249 2HB ASN 30 2HB ASN 30 -14.643 -8.063 -7.929 250 1HD2 ASN 30 1HD2 ASN 30 -16.372 -6.481 -10.471 251 2HD2 ASN 30 2HD2 ASN 30 -16.591 -7.872 -11.477 252 HA PRO 31 HA PRO 31 -18.853 -10.872 -6.009 253 1HB PRO 31 1HB PRO 31 -19.170 -12.252 -8.448 254 2HB PRO 31 2HB PRO 31 -20.399 -11.303 -7.612 255 1HG PRO 31 1HG PRO 31 -18.594 -10.512 -9.859 256 2HG PRO 31 2HG PRO 31 -20.292 -10.078 -9.574 257 1HD PRO 31 1HD PRO 31 -18.362 -8.321 -9.090 258 2HD PRO 31 2HD PRO 31 -19.731 -8.469 -7.967 259 H ALA 32 H ALA 32 -16.379 -10.925 -8.545 260 HA ALA 32 HA ALA 32 -15.363 -13.511 -7.828 261 1HB ALA 32 1HB ALA 32 -15.044 -12.673 -10.087 262 2HB ALA 32 2HB ALA 32 -13.481 -12.945 -9.314 263 3HB ALA 32 3HB ALA 32 -14.113 -11.307 -9.472 264 H LEU 33 H LEU 33 -13.766 -10.316 -7.692 265 HA LEU 33 HA LEU 33 -13.049 -10.358 -5.002 266 1HB LEU 33 1HB LEU 33 -11.780 -12.415 -5.815 267 2HB LEU 33 2HB LEU 33 -10.778 -11.323 -6.749 268 HG LEU 33 HG LEU 33 -10.048 -10.203 -4.669 269 1HD1 LEU 33 1HD1 LEU 33 -10.552 -11.204 -2.500 270 2HD1 LEU 33 2HD1 LEU 33 -11.644 -12.350 -3.274 271 3HD1 LEU 33 3HD1 LEU 33 -12.013 -10.626 -3.295 272 1HD2 LEU 33 1HD2 LEU 33 -8.706 -12.016 -5.591 273 2HD2 LEU 33 2HD2 LEU 33 -9.641 -13.197 -4.674 274 3HD2 LEU 33 3HD2 LEU 33 -8.636 -12.020 -3.830 275 H TRP 34 H TRP 34 -11.143 -9.809 -7.958 276 HA TRP 34 HA TRP 34 -10.258 -7.229 -7.040 277 1HB TRP 34 1HB TRP 34 -9.835 -8.673 -9.677 278 2HB TRP 34 2HB TRP 34 -9.036 -7.172 -9.215 279 HD1 TRP 34 HD1 TRP 34 -9.454 -10.554 -7.328 280 HE1 TRP 34 HE1 TRP 34 -7.137 -11.288 -6.494 281 HE3 TRP 34 HE3 TRP 34 -6.651 -6.735 -9.244 282 HZ2 TRP 34 HZ2 TRP 34 -4.483 -10.381 -6.629 283 HZ3 TRP 34 HZ3 TRP 34 -4.226 -6.744 -8.849 284 HH2 TRP 34 HH2 TRP 34 -3.163 -8.531 -7.567 285 H GLY 35 H GLY 35 -10.959 -5.240 -7.686 286 1HA GLY 35 1HA GLY 35 -12.570 -4.786 -9.983 287 2HA GLY 35 2HA GLY 35 -13.577 -4.902 -8.547 288 H GLY 36 H GLY 36 -12.008 -3.676 -6.649 289 1HA GLY 36 1HA GLY 36 -11.041 -1.138 -7.454 290 2HA GLY 36 2HA GLY 36 -12.733 -1.009 -6.988 291 H LYS 37 H LYS 37 -13.295 -1.913 -4.826 292 HA LYS 37 HA LYS 37 -11.025 -1.749 -2.955 293 1HB LYS 37 1HB LYS 37 -12.831 -0.886 -1.291 294 2HB LYS 37 2HB LYS 37 -12.125 0.223 -2.450 295 1HG LYS 37 1HG LYS 37 -14.451 0.668 -2.378 296 2HG LYS 37 2HG LYS 37 -14.127 -0.140 -3.909 297 1HD LYS 37 1HD LYS 37 -16.162 -1.017 -2.956 298 2HD LYS 37 2HD LYS 37 -14.920 -2.265 -2.915 299 1HE LYS 37 1HE LYS 37 -14.539 -1.866 -0.558 300 2HE LYS 37 2HE LYS 37 -15.659 -0.502 -0.577 301 1HZ LYS 37 1HZ LYS 37 -17.453 -2.037 -1.114 302 2HZ LYS 37 2HZ LYS 37 -16.697 -2.481 0.332 303 3HZ LYS 37 3HZ LYS 37 -16.380 -3.342 -1.083 304 H VAL 38 H VAL 38 -11.229 -2.946 -0.993 305 HA VAL 38 HA VAL 38 -13.194 -5.099 -0.925 306 HB VAL 38 HB VAL 38 -11.253 -5.906 -2.319 307 1HG1 VAL 38 1HG1 VAL 38 -9.147 -6.478 -1.182 308 2HG1 VAL 38 2HG1 VAL 38 -9.716 -5.652 0.269 309 3HG1 VAL 38 3HG1 VAL 38 -9.435 -4.738 -1.214 310 1HG2 VAL 38 1HG2 VAL 38 -11.700 -7.349 0.292 311 2HG2 VAL 38 2HG2 VAL 38 -11.018 -8.058 -1.173 312 3HG2 VAL 38 3HG2 VAL 38 -12.688 -7.488 -1.163 313 H THR 39 H THR 39 -13.156 -6.220 1.177 314 HA THR 39 HA THR 39 -11.854 -4.634 3.292 315 HB THR 39 HB THR 39 -14.660 -5.772 3.430 316 HG1 THR 39 HG1 THR 39 -14.845 -4.007 2.158 317 1HG2 THR 39 1HG2 THR 39 -13.544 -5.668 5.616 318 2HG2 THR 39 2HG2 THR 39 -14.831 -4.467 5.509 319 3HG2 THR 39 3HG2 THR 39 -13.147 -3.971 5.338 320 H LEU 40 H LEU 40 -10.724 -5.766 4.694 321 HA LEU 40 HA LEU 40 -10.677 -8.650 4.647 322 1HB LEU 40 1HB LEU 40 -9.173 -6.574 6.250 323 2HB LEU 40 2HB LEU 40 -8.988 -8.293 6.535 324 HG LEU 40 HG LEU 40 -7.149 -7.546 5.193 325 1HD1 LEU 40 1HD1 LEU 40 -8.008 -9.754 4.669 326 2HD1 LEU 40 2HD1 LEU 40 -7.385 -8.973 3.220 327 3HD1 LEU 40 3HD1 LEU 40 -9.124 -9.066 3.489 328 1HD2 LEU 40 1HD2 LEU 40 -7.431 -6.520 2.990 329 2HD2 LEU 40 2HD2 LEU 40 -8.130 -5.516 4.260 330 3HD2 LEU 40 3HD2 LEU 40 -9.179 -6.481 3.222 331 H ALA 41 H ALA 41 -10.808 -9.886 6.718 332 HA ALA 41 HA ALA 41 -13.311 -9.558 7.943 333 1HB ALA 41 1HB ALA 41 -10.961 -11.184 8.919 334 2HB ALA 41 2HB ALA 41 -12.171 -11.719 7.754 335 3HB ALA 41 3HB ALA 41 -12.641 -11.380 9.419 336 H ASN 42 H ASN 42 -10.215 -8.253 8.723 337 HA ASN 42 HA ASN 42 -10.891 -7.552 11.453 338 1HB ASN 42 1HB ASN 42 -8.562 -8.146 10.771 339 2HB ASN 42 2HB ASN 42 -8.512 -6.699 9.771 340 1HD2 ASN 42 1HD2 ASN 42 -6.796 -5.818 10.904 341 2HD2 ASN 42 2HD2 ASN 42 -6.955 -5.193 12.506 342 H GLY 43 H GLY 43 -12.026 -6.415 8.661 343 1HA GLY 43 1HA GLY 43 -13.301 -4.515 8.279 344 2HA GLY 43 2HA GLY 43 -12.719 -3.848 9.798 345 H TRP 44 H TRP 44 -10.158 -4.932 7.946 346 HA TRP 44 HA TRP 44 -9.231 -2.272 7.392 347 1HB TRP 44 1HB TRP 44 -7.710 -4.124 8.079 348 2HB TRP 44 2HB TRP 44 -8.056 -4.951 6.568 349 HD1 TRP 44 HD1 TRP 44 -7.067 -3.761 4.288 350 HE1 TRP 44 HE1 TRP 44 -4.981 -2.285 3.968 351 HE3 TRP 44 HE3 TRP 44 -6.271 -2.400 9.150 352 HZ2 TRP 44 HZ2 TRP 44 -3.235 -0.750 5.558 353 HZ3 TRP 44 HZ3 TRP 44 -4.367 -0.928 9.667 354 HH2 TRP 44 HH2 TRP 44 -2.880 -0.121 7.905 355 H GLN 45 H GLN 45 -10.035 -1.160 5.710 356 HA GLN 45 HA GLN 45 -10.990 -2.543 3.335 357 1HB GLN 45 1HB GLN 45 -11.062 0.367 4.160 358 2HB GLN 45 2HB GLN 45 -11.689 -0.229 2.627 359 1HG GLN 45 1HG GLN 45 -13.334 -1.573 3.749 360 2HG GLN 45 2HG GLN 45 -12.638 -1.187 5.323 361 1HE2 GLN 45 1HE2 GLN 45 -14.527 -0.001 2.650 362 2HE2 GLN 45 2HE2 GLN 45 -15.150 1.398 3.452 363 H LEU 46 H LEU 46 -9.700 -2.974 1.726 364 HA LEU 46 HA LEU 46 -7.304 -1.314 1.241 365 1HB LEU 46 1HB LEU 46 -7.020 -3.696 2.189 366 2HB LEU 46 2HB LEU 46 -7.580 -4.268 0.634 367 HG LEU 46 HG LEU 46 -5.099 -4.329 0.942 368 1HD1 LEU 46 1HD1 LEU 46 -6.014 -2.525 -1.292 369 2HD1 LEU 46 2HD1 LEU 46 -6.072 -4.286 -1.303 370 3HD1 LEU 46 3HD1 LEU 46 -4.518 -3.457 -1.243 371 1HD2 LEU 46 1HD2 LEU 46 -4.845 -2.299 2.261 372 2HD2 LEU 46 2HD2 LEU 46 -5.331 -1.322 0.875 373 3HD2 LEU 46 3HD2 LEU 46 -3.830 -2.246 0.820 374 H GLU 47 H GLU 47 -7.033 -0.595 -0.854 375 HA GLU 47 HA GLU 47 -9.232 -0.969 -2.682 376 1HB GLU 47 1HB GLU 47 -8.068 1.222 -2.415 377 2HB GLU 47 2HB GLU 47 -6.631 0.515 -3.142 378 1HG GLU 47 1HG GLU 47 -7.846 0.122 -5.213 379 2HG GLU 47 2HG GLU 47 -9.321 0.759 -4.486 380 H LEU 48 H LEU 48 -9.382 -2.710 -3.899 381 HA LEU 48 HA LEU 48 -6.940 -4.063 -4.846 382 1HB LEU 48 1HB LEU 48 -8.508 -5.337 -3.343 383 2HB LEU 48 2HB LEU 48 -9.730 -5.200 -4.587 384 HG LEU 48 HG LEU 48 -8.370 -6.525 -6.125 385 1HD1 LEU 48 1HD1 LEU 48 -6.155 -5.851 -5.400 386 2HD1 LEU 48 2HD1 LEU 48 -6.303 -7.607 -5.357 387 3HD1 LEU 48 3HD1 LEU 48 -6.381 -6.679 -3.858 388 1HD2 LEU 48 1HD2 LEU 48 -8.674 -7.832 -3.415 389 2HD2 LEU 48 2HD2 LEU 48 -8.489 -8.676 -4.953 390 3HD2 LEU 48 3HD2 LEU 48 -9.924 -7.698 -4.651 391 HA PRO 49 HA PRO 49 -8.519 -2.062 -8.610 392 1HB PRO 49 1HB PRO 49 -5.966 -2.999 -9.772 393 2HB PRO 49 2HB PRO 49 -6.595 -1.355 -9.623 394 1HG PRO 49 1HG PRO 49 -4.541 -2.202 -8.115 395 2HG PRO 49 2HG PRO 49 -5.764 -1.084 -7.476 396 1HD PRO 49 1HD PRO 49 -5.514 -4.052 -7.074 397 2HD PRO 49 2HD PRO 49 -5.874 -2.782 -5.884 398 H ALA 50 H ALA 50 -9.271 -2.793 -10.630 399 HA ALA 50 HA ALA 50 -9.737 -5.636 -10.794 400 1HB ALA 50 1HB ALA 50 -11.138 -5.102 -12.718 401 2HB ALA 50 2HB ALA 50 -10.543 -3.442 -12.711 402 3HB ALA 50 3HB ALA 50 -11.514 -4.035 -11.364 403 H MET 51 H MET 51 -7.574 -6.376 -11.065 404 HA MET 51 HA MET 51 -6.444 -5.889 -13.750 405 1HB MET 51 1HB MET 51 -5.020 -6.824 -11.242 406 2HB MET 51 2HB MET 51 -4.269 -6.594 -12.815 407 1HG MET 51 1HG MET 51 -5.520 -4.439 -11.118 408 2HG MET 51 2HG MET 51 -3.794 -4.733 -11.319 409 1HE MET 51 1HE MET 51 -3.698 -5.458 -14.460 410 2HE MET 51 2HE MET 51 -2.513 -4.415 -13.672 411 3HE MET 51 3HE MET 51 -3.321 -3.875 -15.143 412 H ALA 52 H ALA 52 -5.868 -8.506 -11.413 413 HA ALA 52 HA ALA 52 -6.899 -10.434 -13.392 414 1HB ALA 52 1HB ALA 52 -4.387 -10.750 -11.740 415 2HB ALA 52 2HB ALA 52 -4.447 -10.427 -13.472 416 3HB ALA 52 3HB ALA 52 -5.063 -11.955 -12.838 417 H ALA 53 H ALA 53 -8.744 -11.066 -12.431 418 HA ALA 53 HA ALA 53 -9.008 -11.200 -9.565 419 1HB ALA 53 1HB ALA 53 -11.334 -11.814 -10.024 420 2HB ALA 53 2HB ALA 53 -10.958 -11.960 -11.742 421 3HB ALA 53 3HB ALA 53 -10.852 -10.390 -10.948 422 H ASP 54 H ASP 54 -9.127 -13.538 -12.235 423 HA ASP 54 HA ASP 54 -9.323 -15.743 -10.319 424 1HB ASP 54 1HB ASP 54 -9.687 -15.624 -13.319 425 2HB ASP 54 2HB ASP 54 -9.763 -17.116 -12.388 426 H THR 55 H THR 55 -6.793 -14.228 -10.840 427 HA THR 55 HA THR 55 -4.986 -15.930 -12.192 428 HB THR 55 HB THR 55 -4.389 -13.606 -11.679 429 HG1 THR 55 HG1 THR 55 -2.590 -14.831 -11.960 430 1HG2 THR 55 1HG2 THR 55 -5.465 -13.388 -9.486 431 2HG2 THR 55 2HG2 THR 55 -3.764 -12.926 -9.404 432 3HG2 THR 55 3HG2 THR 55 -4.282 -14.495 -8.787 433 HA PRO 56 HA PRO 56 -4.941 -19.183 -9.177 434 1HB PRO 56 1HB PRO 56 -3.145 -20.805 -10.300 435 2HB PRO 56 2HB PRO 56 -4.682 -20.458 -11.103 436 1HG PRO 56 1HG PRO 56 -1.969 -19.284 -11.622 437 2HG PRO 56 2HG PRO 56 -3.189 -19.839 -12.787 438 1HD PRO 56 1HD PRO 56 -2.823 -17.200 -12.054 439 2HD PRO 56 2HD PRO 56 -4.341 -17.857 -12.696 440 H LEU 57 H LEU 57 -2.467 -16.946 -9.407 441 HA LEU 57 HA LEU 57 -0.872 -18.332 -7.349 442 1HB LEU 57 1HB LEU 57 1.104 -17.044 -8.256 443 2HB LEU 57 2HB LEU 57 0.492 -18.332 -9.269 444 HG LEU 57 HG LEU 57 -0.787 -16.476 -10.538 445 1HD1 LEU 57 1HD1 LEU 57 0.283 -14.266 -10.493 446 2HD1 LEU 57 2HD1 LEU 57 1.271 -14.777 -9.124 447 3HD1 LEU 57 3HD1 LEU 57 -0.481 -14.663 -8.955 448 1HD2 LEU 57 1HD2 LEU 57 1.167 -16.019 -11.950 449 2HD2 LEU 57 2HD2 LEU 57 1.075 -17.719 -11.486 450 3HD2 LEU 57 3HD2 LEU 57 2.225 -16.648 -10.685 451 HA PRO 58 HA PRO 58 -1.535 -14.782 -4.766 452 1HB PRO 58 1HB PRO 58 0.713 -14.874 -3.218 453 2HB PRO 58 2HB PRO 58 -0.650 -15.978 -3.008 454 1HG PRO 58 1HG PRO 58 1.946 -16.426 -4.438 455 2HG PRO 58 2HG PRO 58 1.063 -17.517 -3.354 456 1HD PRO 58 1HD PRO 58 0.973 -17.759 -6.052 457 2HD PRO 58 2HD PRO 58 -0.405 -18.181 -5.014 458 H ILE 59 H ILE 59 -1.414 -13.113 -6.230 459 HA ILE 59 HA ILE 59 1.184 -12.177 -7.163 460 HB ILE 59 HB ILE 59 -0.554 -12.264 -8.824 461 1HG1 ILE 59 1HG1 ILE 59 0.000 -9.383 -8.047 462 2HG1 ILE 59 2HG1 ILE 59 1.044 -10.404 -9.028 463 1HG2 ILE 59 1HG2 ILE 59 -2.497 -12.130 -7.373 464 2HG2 ILE 59 2HG2 ILE 59 -2.612 -10.941 -8.670 465 3HG2 ILE 59 3HG2 ILE 59 -2.157 -10.431 -7.044 466 1HD1 ILE 59 1HD1 ILE 59 -0.696 -10.507 -10.750 467 2HD1 ILE 59 2HD1 ILE 59 -0.191 -8.852 -10.406 468 3HD1 ILE 59 3HD1 ILE 59 -1.718 -9.458 -9.765 469 H THR 60 H THR 60 2.102 -10.234 -6.660 470 HA THR 60 HA THR 60 1.035 -8.856 -4.294 471 HB THR 60 HB THR 60 3.812 -8.696 -5.497 472 HG1 THR 60 HG1 THR 60 2.936 -10.782 -4.475 473 1HG2 THR 60 1HG2 THR 60 2.752 -7.819 -2.800 474 2HG2 THR 60 2HG2 THR 60 3.215 -6.748 -4.124 475 3HG2 THR 60 3HG2 THR 60 4.435 -7.738 -3.323 476 H VAL 61 H VAL 61 0.134 -6.911 -4.529 477 HA VAL 61 HA VAL 61 0.830 -5.259 -6.870 478 HB VAL 61 HB VAL 61 -1.536 -4.471 -6.942 479 1HG1 VAL 61 1HG1 VAL 61 -2.441 -6.429 -8.091 480 2HG1 VAL 61 2HG1 VAL 61 -1.180 -7.437 -7.378 481 3HG1 VAL 61 3HG1 VAL 61 -0.750 -6.161 -8.519 482 1HG2 VAL 61 1HG2 VAL 61 -3.284 -5.811 -5.843 483 2HG2 VAL 61 2HG2 VAL 61 -2.211 -5.053 -4.666 484 3HG2 VAL 61 3HG2 VAL 61 -2.039 -6.768 -5.038 485 H GLU 62 H GLU 62 -0.204 -2.981 -6.504 486 HA GLU 62 HA GLU 62 0.986 -1.835 -4.194 487 1HB GLU 62 1HB GLU 62 -0.216 0.273 -4.993 488 2HB GLU 62 2HB GLU 62 0.958 -0.433 -6.091 489 1HG GLU 62 1HG GLU 62 -1.909 -1.199 -6.390 490 2HG GLU 62 2HG GLU 62 -1.398 0.399 -6.927 491 H ALA 63 H ALA 63 -0.040 -0.745 -2.469 492 HA ALA 63 HA ALA 63 -2.735 -1.782 -1.839 493 1HB ALA 63 1HB ALA 63 -2.076 -1.762 0.513 494 2HB ALA 63 2HB ALA 63 -0.484 -1.138 0.075 495 3HB ALA 63 3HB ALA 63 -0.970 -2.755 -0.437 496 H ARG 64 H ARG 64 -4.175 -0.428 -0.752 497 HA ARG 64 HA ARG 64 -3.421 2.280 -0.054 498 1HB ARG 64 1HB ARG 64 -4.021 2.467 -2.460 499 2HB ARG 64 2HB ARG 64 -5.601 1.779 -2.103 500 1HG ARG 64 1HG ARG 64 -6.052 3.705 -0.601 501 2HG ARG 64 2HG ARG 64 -4.508 4.402 -1.090 502 1HD ARG 64 1HD ARG 64 -5.299 4.439 -3.431 503 2HD ARG 64 2HD ARG 64 -6.861 3.815 -2.892 504 HE ARG 64 HE ARG 64 -5.790 6.381 -1.900 505 1HH1 ARG 64 1HH1 ARG 64 -8.359 4.547 -3.431 506 2HH1 ARG 64 2HH1 ARG 64 -9.495 5.855 -3.348 507 1HH2 ARG 64 1HH2 ARG 64 -7.277 8.084 -1.806 508 2HH2 ARG 64 2HH2 ARG 64 -8.885 7.866 -2.425 509 H LYS 65 H LYS 65 -4.338 2.658 1.854 510 HA LYS 65 HA LYS 65 -6.536 0.992 2.774 511 1HB LYS 65 1HB LYS 65 -4.762 1.296 4.347 512 2HB LYS 65 2HB LYS 65 -4.774 3.040 4.133 513 1HG LYS 65 1HG LYS 65 -5.758 2.436 6.263 514 2HG LYS 65 2HG LYS 65 -6.974 3.158 5.208 515 1HD LYS 65 1HD LYS 65 -7.824 0.923 4.658 516 2HD LYS 65 2HD LYS 65 -6.601 0.198 5.704 517 1HE LYS 65 1HE LYS 65 -8.716 0.296 6.875 518 2HE LYS 65 2HE LYS 65 -7.573 1.405 7.628 519 1HZ LYS 65 1HZ LYS 65 -9.821 2.100 5.815 520 2HZ LYS 65 2HZ LYS 65 -8.645 3.208 6.304 521 3HZ LYS 65 3HZ LYS 65 -9.662 2.494 7.451 522 H LEU 66 H LEU 66 -8.580 1.581 2.502 523 HA LEU 66 HA LEU 66 -9.302 4.389 2.187 524 1HB LEU 66 1HB LEU 66 -11.067 1.921 2.186 525 2HB LEU 66 2HB LEU 66 -11.594 3.550 1.817 526 HG LEU 66 HG LEU 66 -11.408 2.467 -0.262 527 1HD1 LEU 66 1HD1 LEU 66 -9.625 3.643 -1.436 528 2HD1 LEU 66 2HD1 LEU 66 -8.858 4.035 0.104 529 3HD1 LEU 66 3HD1 LEU 66 -10.446 4.698 -0.285 530 1HD2 LEU 66 1HD2 LEU 66 -10.160 0.506 0.436 531 2HD2 LEU 66 2HD2 LEU 66 -8.686 1.464 0.570 532 3HD2 LEU 66 3HD2 LEU 66 -9.439 1.217 -1.006 Start of MODEL 13 1 H MET 1 H MET 1 4.727 0.285 -2.819 2 HA MET 1 HA MET 1 3.109 0.325 -1.011 3 1HB MET 1 1HB MET 1 1.126 0.385 -3.306 4 2HB MET 1 2HB MET 1 0.712 0.165 -1.613 5 1HG MET 1 1HG MET 1 1.419 2.392 -1.086 6 2HG MET 1 2HG MET 1 2.059 2.624 -2.713 7 1HE MET 1 1HE MET 1 0.665 4.933 -2.848 8 2HE MET 1 2HE MET 1 0.029 4.635 -1.231 9 3HE MET 1 3HE MET 1 -1.071 5.028 -2.552 10 H LYS 2 H LYS 2 2.625 -1.745 -0.230 11 HA LYS 2 HA LYS 2 3.057 -3.952 -2.141 12 1HB LYS 2 1HB LYS 2 5.179 -3.339 -1.078 13 2HB LYS 2 2HB LYS 2 4.457 -3.535 0.510 14 1HG LYS 2 1HG LYS 2 4.131 -5.944 0.028 15 2HG LYS 2 2HG LYS 2 4.949 -5.714 -1.523 16 1HD LYS 2 1HD LYS 2 6.972 -4.985 -0.370 17 2HD LYS 2 2HD LYS 2 6.160 -5.130 1.189 18 1HE LYS 2 1HE LYS 2 7.568 -7.055 0.854 19 2HE LYS 2 2HE LYS 2 5.882 -7.560 0.770 20 1HZ LYS 2 1HZ LYS 2 6.030 -7.615 -1.621 21 2HZ LYS 2 2HZ LYS 2 7.260 -8.565 -0.960 22 3HZ LYS 2 3HZ LYS 2 7.620 -7.034 -1.581 23 H VAL 3 H VAL 3 1.209 -5.114 -2.049 24 HA VAL 3 HA VAL 3 0.574 -6.355 0.532 25 HB VAL 3 HB VAL 3 -1.140 -4.612 0.284 26 1HG1 VAL 3 1HG1 VAL 3 -1.120 -4.346 -2.139 27 2HG1 VAL 3 2HG1 VAL 3 -2.756 -4.666 -1.565 28 3HG1 VAL 3 3HG1 VAL 3 -1.826 -5.951 -2.338 29 1HG2 VAL 3 1HG2 VAL 3 -1.775 -6.726 1.341 30 2HG2 VAL 3 2HG2 VAL 3 -2.247 -7.380 -0.227 31 3HG2 VAL 3 3HG2 VAL 3 -3.135 -6.023 0.467 32 H MET 4 H MET 4 0.383 -8.517 0.344 33 HA MET 4 HA MET 4 0.373 -9.656 -2.368 34 1HB MET 4 1HB MET 4 2.245 -10.320 -0.904 35 2HB MET 4 2HB MET 4 1.104 -10.938 0.282 36 1HG MET 4 1HG MET 4 0.308 -12.580 -1.387 37 2HG MET 4 2HG MET 4 1.534 -11.995 -2.510 38 1HE MET 4 1HE MET 4 3.963 -11.440 -0.430 39 2HE MET 4 2HE MET 4 4.171 -12.174 -2.020 40 3HE MET 4 3HE MET 4 4.845 -12.959 -0.591 41 H ILE 5 H ILE 5 -1.588 -10.188 -3.072 42 HA ILE 5 HA ILE 5 -3.684 -10.984 -1.213 43 HB ILE 5 HB ILE 5 -3.813 -10.868 -4.240 44 1HG1 ILE 5 1HG1 ILE 5 -3.220 -8.659 -3.337 45 2HG1 ILE 5 2HG1 ILE 5 -4.861 -8.657 -3.970 46 1HG2 ILE 5 1HG2 ILE 5 -5.998 -10.901 -2.145 47 2HG2 ILE 5 2HG2 ILE 5 -5.573 -12.225 -3.232 48 3HG2 ILE 5 3HG2 ILE 5 -6.245 -10.730 -3.884 49 1HD1 ILE 5 1HD1 ILE 5 -5.727 -8.854 -1.685 50 2HD1 ILE 5 2HD1 ILE 5 -4.733 -7.415 -1.905 51 3HD1 ILE 5 3HD1 ILE 5 -4.074 -8.819 -1.068 52 H ARG 6 H ARG 6 -4.236 -13.048 -0.807 53 HA ARG 6 HA ARG 6 -2.782 -15.174 -2.211 54 1HB ARG 6 1HB ARG 6 -4.495 -15.393 0.280 55 2HB ARG 6 2HB ARG 6 -3.363 -16.589 -0.336 56 1HG ARG 6 1HG ARG 6 -1.487 -15.224 0.227 57 2HG ARG 6 2HG ARG 6 -2.526 -13.848 0.599 58 1HD ARG 6 1HD ARG 6 -1.842 -14.790 2.673 59 2HD ARG 6 2HD ARG 6 -3.535 -15.219 2.441 60 HE ARG 6 HE ARG 6 -1.347 -17.114 1.848 61 1HH1 ARG 6 1HH1 ARG 6 -4.447 -16.383 3.292 62 2HH1 ARG 6 2HH1 ARG 6 -4.612 -17.930 4.055 63 1HH2 ARG 6 1HH2 ARG 6 -1.563 -19.175 2.822 64 2HH2 ARG 6 2HH2 ARG 6 -2.967 -19.532 3.774 65 H LYS 7 H LYS 7 -3.818 -16.737 -3.393 66 HA LYS 7 HA LYS 7 -6.530 -15.892 -4.147 67 1HB LYS 7 1HB LYS 7 -4.311 -15.837 -5.687 68 2HB LYS 7 2HB LYS 7 -4.901 -17.447 -6.077 69 1HG LYS 7 1HG LYS 7 -6.578 -14.955 -6.247 70 2HG LYS 7 2HG LYS 7 -5.671 -15.622 -7.602 71 1HD LYS 7 1HD LYS 7 -7.827 -17.099 -6.072 72 2HD LYS 7 2HD LYS 7 -8.072 -16.275 -7.613 73 1HE LYS 7 1HE LYS 7 -6.398 -17.761 -8.652 74 2HE LYS 7 2HE LYS 7 -6.204 -18.600 -7.115 75 1HZ LYS 7 1HZ LYS 7 -7.709 -19.715 -8.717 76 2HZ LYS 7 2HZ LYS 7 -8.781 -18.416 -8.571 77 3HZ LYS 7 3HZ LYS 7 -8.432 -19.379 -7.227 78 H THR 8 H THR 8 -8.030 -17.190 -3.501 79 HA THR 8 HA THR 8 -8.365 -19.721 -4.612 80 HB THR 8 HB THR 8 -6.840 -20.606 -2.956 81 HG1 THR 8 HG1 THR 8 -8.152 -22.223 -2.602 82 1HG2 THR 8 1HG2 THR 8 -8.589 -19.320 -0.854 83 2HG2 THR 8 2HG2 THR 8 -6.962 -18.804 -1.297 84 3HG2 THR 8 3HG2 THR 8 -7.214 -20.381 -0.550 85 H ALA 9 H ALA 9 -10.505 -20.093 -4.721 86 HA ALA 9 HA ALA 9 -12.285 -18.046 -3.986 87 1HB ALA 9 1HB ALA 9 -12.929 -20.871 -4.840 88 2HB ALA 9 2HB ALA 9 -12.648 -19.504 -5.917 89 3HB ALA 9 3HB ALA 9 -14.045 -19.506 -4.842 90 H THR 10 H THR 10 -11.254 -20.889 -2.311 91 HA THR 10 HA THR 10 -13.479 -20.696 -0.402 92 HB THR 10 HB THR 10 -12.640 -22.941 0.376 93 HG1 THR 10 HG1 THR 10 -10.591 -23.153 -0.313 94 1HG2 THR 10 1HG2 THR 10 -14.519 -22.778 -1.188 95 2HG2 THR 10 2HG2 THR 10 -13.518 -24.182 -1.562 96 3HG2 THR 10 3HG2 THR 10 -13.396 -22.725 -2.549 97 H GLY 11 H GLY 11 -10.938 -18.980 -0.560 98 1HA GLY 11 1HA GLY 11 -10.580 -18.694 2.232 99 2HA GLY 11 2HA GLY 11 -9.218 -19.578 1.558 100 H HIS 12 H HIS 12 -11.129 -16.838 0.318 101 HA HIS 12 HA HIS 12 -8.960 -15.431 -0.753 102 1HB HIS 12 1HB HIS 12 -11.577 -14.314 0.304 103 2HB HIS 12 2HB HIS 12 -10.447 -13.444 -0.724 104 HD1 HIS 12 HD1 HIS 12 -13.375 -15.582 -0.866 105 HD2 HIS 12 HD2 HIS 12 -10.193 -14.678 -3.384 106 HE1 HIS 12 HE1 HIS 12 -14.121 -16.255 -3.169 107 HE2 HIS 12 HE2 HIS 12 -12.267 -15.495 -4.693 108 H SER 13 H SER 13 -7.328 -14.381 0.215 109 HA SER 13 HA SER 13 -7.732 -13.010 2.740 110 1HB SER 13 1HB SER 13 -5.650 -14.180 3.695 111 2HB SER 13 2HB SER 13 -7.143 -15.119 3.656 112 HG SER 13 HG SER 13 -6.401 -16.192 1.842 113 H ALA 14 H ALA 14 -5.776 -11.725 3.347 114 HA ALA 14 HA ALA 14 -4.002 -11.121 1.101 115 1HB ALA 14 1HB ALA 14 -5.964 -9.708 0.726 116 2HB ALA 14 2HB ALA 14 -4.553 -8.737 1.144 117 3HB ALA 14 3HB ALA 14 -5.804 -9.040 2.350 118 H TYR 15 H TYR 15 -2.027 -10.537 1.741 119 HA TYR 15 HA TYR 15 -1.573 -9.888 4.574 120 1HB TYR 15 1HB TYR 15 -0.309 -11.824 3.677 121 2HB TYR 15 2HB TYR 15 0.401 -10.788 2.446 122 HD1 TYR 15 HD1 TYR 15 2.253 -9.322 2.980 123 HD2 TYR 15 HD2 TYR 15 0.338 -11.566 6.054 124 HE1 TYR 15 HE1 TYR 15 4.101 -8.794 4.515 125 HE2 TYR 15 HE2 TYR 15 2.181 -11.040 7.593 126 HH TYR 15 HH TYR 15 4.499 -8.646 6.939 127 H VAL 16 H VAL 16 -1.818 -7.736 4.757 128 HA VAL 16 HA VAL 16 -0.873 -5.901 2.725 129 HB VAL 16 HB VAL 16 -2.040 -5.289 5.458 130 1HG1 VAL 16 1HG1 VAL 16 -0.798 -3.411 4.544 131 2HG1 VAL 16 2HG1 VAL 16 -2.528 -3.071 4.497 132 3HG1 VAL 16 3HG1 VAL 16 -1.681 -3.534 3.021 133 1HG2 VAL 16 1HG2 VAL 16 -4.168 -4.908 4.290 134 2HG2 VAL 16 2HG2 VAL 16 -3.626 -6.578 4.131 135 3HG2 VAL 16 3HG2 VAL 16 -3.436 -5.458 2.781 136 H ALA 17 H ALA 17 1.342 -5.974 2.681 137 HA ALA 17 HA ALA 17 3.034 -6.325 4.878 138 1HB ALA 17 1HB ALA 17 4.843 -5.653 3.401 139 2HB ALA 17 2HB ALA 17 3.684 -4.969 2.260 140 3HB ALA 17 3HB ALA 17 3.715 -6.708 2.551 141 H LYS 18 H LYS 18 1.538 -3.453 3.609 142 HA LYS 18 HA LYS 18 3.036 -1.418 4.728 143 1HB LYS 18 1HB LYS 18 1.172 -0.928 3.282 144 2HB LYS 18 2HB LYS 18 0.041 -1.680 4.395 145 1HG LYS 18 1HG LYS 18 -0.156 0.721 4.511 146 2HG LYS 18 2HG LYS 18 0.482 0.100 6.033 147 1HD LYS 18 1HD LYS 18 2.759 0.730 5.312 148 2HD LYS 18 2HD LYS 18 2.091 1.383 3.814 149 1HE LYS 18 1HE LYS 18 0.756 2.984 5.124 150 2HE LYS 18 2HE LYS 18 1.455 2.340 6.609 151 1HZ LYS 18 1HZ LYS 18 3.639 3.050 5.839 152 2HZ LYS 18 2HZ LYS 18 2.571 4.357 5.922 153 3HZ LYS 18 3HZ LYS 18 2.956 3.677 4.421 154 H LYS 19 H LYS 19 0.662 -3.518 6.250 155 HA LYS 19 HA LYS 19 1.286 -2.338 8.890 156 1HB LYS 19 1HB LYS 19 -1.127 -2.264 7.786 157 2HB LYS 19 2HB LYS 19 -1.212 -3.930 8.326 158 1HG LYS 19 1HG LYS 19 -0.631 -1.621 10.175 159 2HG LYS 19 2HG LYS 19 -2.257 -2.205 9.835 160 1HD LYS 19 1HD LYS 19 -1.554 -4.450 10.674 161 2HD LYS 19 2HD LYS 19 -0.004 -3.743 11.132 162 1HE LYS 19 1HE LYS 19 -1.404 -3.817 13.075 163 2HE LYS 19 2HE LYS 19 -1.234 -2.134 12.583 164 1HZ LYS 19 1HZ LYS 19 -3.566 -3.887 12.015 165 2HZ LYS 19 2HZ LYS 19 -3.409 -2.277 11.520 166 3HZ LYS 19 3HZ LYS 19 -3.512 -2.649 13.161 167 H ASP 20 H ASP 20 1.870 -4.893 6.909 168 HA ASP 20 HA ASP 20 2.368 -7.095 7.054 169 1HB ASP 20 1HB ASP 20 2.997 -6.324 9.919 170 2HB ASP 20 2HB ASP 20 3.371 -7.899 9.224 171 H LEU 21 H LEU 21 -0.314 -6.131 7.516 172 HA LEU 21 HA LEU 21 -1.511 -7.814 9.552 173 1HB LEU 21 1HB LEU 21 -2.207 -5.418 8.908 174 2HB LEU 21 2HB LEU 21 -2.939 -6.129 7.486 175 HG LEU 21 HG LEU 21 -3.718 -6.824 10.332 176 1HD1 LEU 21 1HD1 LEU 21 -5.092 -5.004 8.351 177 2HD1 LEU 21 2HD1 LEU 21 -4.240 -4.489 9.807 178 3HD1 LEU 21 3HD1 LEU 21 -5.705 -5.461 9.941 179 1HD2 LEU 21 1HD2 LEU 21 -5.717 -7.809 9.281 180 2HD2 LEU 21 2HD2 LEU 21 -4.234 -8.620 8.782 181 3HD2 LEU 21 3HD2 LEU 21 -5.026 -7.484 7.690 182 H GLU 22 H GLU 22 -2.211 -9.816 9.177 183 HA GLU 22 HA GLU 22 -2.835 -10.618 6.401 184 1HB GLU 22 1HB GLU 22 -0.902 -11.830 7.293 185 2HB GLU 22 2HB GLU 22 -1.831 -12.316 8.702 186 1HG GLU 22 1HG GLU 22 -3.304 -13.654 7.311 187 2HG GLU 22 2HG GLU 22 -2.456 -13.113 5.861 188 H GLU 23 H GLU 23 -4.941 -10.987 6.050 189 HA GLU 23 HA GLU 23 -6.613 -12.060 8.187 190 1HB GLU 23 1HB GLU 23 -6.602 -9.477 8.271 191 2HB GLU 23 2HB GLU 23 -7.481 -9.551 6.760 192 1HG GLU 23 1HG GLU 23 -8.949 -9.265 8.698 193 2HG GLU 23 2HG GLU 23 -9.298 -10.732 7.788 194 H LEU 24 H LEU 24 -8.732 -12.704 7.449 195 HA LEU 24 HA LEU 24 -8.767 -13.683 4.729 196 1HB LEU 24 1HB LEU 24 -10.846 -13.831 6.927 197 2HB LEU 24 2HB LEU 24 -10.944 -14.670 5.389 198 HG LEU 24 HG LEU 24 -8.844 -15.152 7.516 199 1HD1 LEU 24 1HD1 LEU 24 -9.965 -17.304 7.836 200 2HD1 LEU 24 2HD1 LEU 24 -11.205 -16.837 6.673 201 3HD1 LEU 24 3HD1 LEU 24 -11.045 -15.957 8.192 202 1HD2 LEU 24 1HD2 LEU 24 -8.181 -17.061 6.130 203 2HD2 LEU 24 2HD2 LEU 24 -7.975 -15.538 5.265 204 3HD2 LEU 24 3HD2 LEU 24 -9.352 -16.580 4.900 205 H ILE 25 H ILE 25 -9.966 -12.890 3.071 206 HA ILE 25 HA ILE 25 -11.137 -10.256 3.352 207 HB ILE 25 HB ILE 25 -10.945 -12.052 0.916 208 1HG1 ILE 25 1HG1 ILE 25 -9.244 -9.678 1.743 209 2HG1 ILE 25 2HG1 ILE 25 -8.738 -11.364 1.795 210 1HG2 ILE 25 1HG2 ILE 25 -11.672 -9.126 1.130 211 2HG2 ILE 25 2HG2 ILE 25 -12.764 -10.445 0.707 212 3HG2 ILE 25 3HG2 ILE 25 -11.439 -10.018 -0.374 213 1HD1 ILE 25 1HD1 ILE 25 -7.814 -10.240 -0.135 214 2HD1 ILE 25 2HD1 ILE 25 -9.431 -9.795 -0.680 215 3HD1 ILE 25 3HD1 ILE 25 -8.949 -11.492 -0.641 216 H VAL 26 H VAL 26 -13.105 -10.186 4.249 217 HA VAL 26 HA VAL 26 -14.964 -12.384 3.984 218 HB VAL 26 HB VAL 26 -16.470 -10.962 5.405 219 1HG1 VAL 26 1HG1 VAL 26 -14.989 -12.628 6.402 220 2HG1 VAL 26 2HG1 VAL 26 -15.132 -11.218 7.450 221 3HG1 VAL 26 3HG1 VAL 26 -13.682 -11.445 6.472 222 1HG2 VAL 26 1HG2 VAL 26 -15.660 -8.758 4.742 223 2HG2 VAL 26 2HG2 VAL 26 -14.083 -9.102 5.454 224 3HG2 VAL 26 3HG2 VAL 26 -15.508 -8.970 6.487 225 H GLU 27 H GLU 27 -14.583 -9.153 2.681 226 HA GLU 27 HA GLU 27 -16.896 -9.628 0.926 227 1HB GLU 27 1HB GLU 27 -16.249 -7.003 2.291 228 2HB GLU 27 2HB GLU 27 -17.550 -7.267 1.135 229 1HG GLU 27 1HG GLU 27 -18.556 -8.888 2.727 230 2HG GLU 27 2HG GLU 27 -17.300 -8.465 3.890 231 H MET 28 H MET 28 -16.627 -9.004 -1.157 232 HA MET 28 HA MET 28 -14.129 -7.605 -1.877 233 1HB MET 28 1HB MET 28 -15.453 -9.823 -3.467 234 2HB MET 28 2HB MET 28 -13.949 -9.004 -3.862 235 1HG MET 28 1HG MET 28 -13.388 -11.129 -2.987 236 2HG MET 28 2HG MET 28 -12.982 -9.937 -1.756 237 1HE MET 28 1HE MET 28 -16.748 -12.610 -1.555 238 2HE MET 28 2HE MET 28 -15.587 -12.662 -2.883 239 3HE MET 28 3HE MET 28 -16.597 -11.234 -2.650 240 H GLU 29 H GLU 29 -14.267 -6.396 -3.909 241 HA GLU 29 HA GLU 29 -16.679 -4.977 -4.289 242 1HB GLU 29 1HB GLU 29 -14.455 -4.088 -4.894 243 2HB GLU 29 2HB GLU 29 -14.331 -5.274 -6.182 244 1HG GLU 29 1HG GLU 29 -14.941 -3.119 -7.084 245 2HG GLU 29 2HG GLU 29 -16.270 -4.258 -7.292 246 H ASN 30 H ASN 30 -15.186 -7.672 -5.997 247 HA ASN 30 HA ASN 30 -17.743 -8.161 -7.389 248 1HB ASN 30 1HB ASN 30 -14.919 -8.766 -8.321 249 2HB ASN 30 2HB ASN 30 -16.372 -9.328 -9.140 250 1HD2 ASN 30 1HD2 ASN 30 -14.267 -7.626 -10.154 251 2HD2 ASN 30 2HD2 ASN 30 -15.024 -6.142 -10.629 252 HA PRO 31 HA PRO 31 -18.308 -11.958 -5.284 253 1HB PRO 31 1HB PRO 31 -18.615 -13.716 -7.476 254 2HB PRO 31 2HB PRO 31 -19.896 -12.831 -6.645 255 1HG PRO 31 1HG PRO 31 -18.458 -12.162 -9.168 256 2HG PRO 31 2HG PRO 31 -20.150 -11.872 -8.726 257 1HD PRO 31 1HD PRO 31 -18.368 -9.878 -8.741 258 2HD PRO 31 2HD PRO 31 -19.628 -9.963 -7.488 259 H ALA 32 H ALA 32 -15.991 -12.061 -7.964 260 HA ALA 32 HA ALA 32 -14.647 -14.414 -7.041 261 1HB ALA 32 1HB ALA 32 -14.554 -13.743 -9.394 262 2HB ALA 32 2HB ALA 32 -12.936 -13.865 -8.699 263 3HB ALA 32 3HB ALA 32 -13.673 -12.281 -8.947 264 H LEU 33 H LEU 33 -13.393 -11.070 -7.281 265 HA LEU 33 HA LEU 33 -12.566 -10.817 -4.622 266 1HB LEU 33 1HB LEU 33 -11.061 -12.744 -5.555 267 2HB LEU 33 2HB LEU 33 -10.199 -11.460 -6.374 268 HG LEU 33 HG LEU 33 -10.544 -11.663 -3.369 269 1HD1 LEU 33 1HD1 LEU 33 -9.154 -13.471 -4.238 270 2HD1 LEU 33 2HD1 LEU 33 -8.193 -12.312 -3.322 271 3HD1 LEU 33 3HD1 LEU 33 -8.141 -12.300 -5.086 272 1HD2 LEU 33 1HD2 LEU 33 -10.250 -9.354 -4.095 273 2HD2 LEU 33 2HD2 LEU 33 -8.828 -9.810 -5.032 274 3HD2 LEU 33 3HD2 LEU 33 -8.802 -9.931 -3.273 275 H TRP 34 H TRP 34 -10.863 -10.196 -7.695 276 HA TRP 34 HA TRP 34 -10.255 -7.499 -6.901 277 1HB TRP 34 1HB TRP 34 -9.784 -8.885 -9.555 278 2HB TRP 34 2HB TRP 34 -9.058 -7.368 -9.038 279 HD1 TRP 34 HD1 TRP 34 -9.134 -11.058 -7.809 280 HE1 TRP 34 HE1 TRP 34 -6.819 -11.620 -6.856 281 HE3 TRP 34 HE3 TRP 34 -6.899 -6.499 -8.366 282 HZ2 TRP 34 HZ2 TRP 34 -4.364 -10.312 -6.396 283 HZ3 TRP 34 HZ3 TRP 34 -4.563 -6.238 -7.643 284 HH2 TRP 34 HH2 TRP 34 -3.322 -8.106 -6.678 285 H GLY 35 H GLY 35 -10.766 -5.603 -8.109 286 1HA GLY 35 1HA GLY 35 -12.413 -5.243 -10.237 287 2HA GLY 35 2HA GLY 35 -13.534 -5.501 -8.906 288 H GLY 36 H GLY 36 -12.122 -4.260 -6.861 289 1HA GLY 36 1HA GLY 36 -11.379 -1.585 -7.592 290 2HA GLY 36 2HA GLY 36 -12.997 -1.675 -6.904 291 H LYS 37 H LYS 37 -13.080 -3.041 -4.822 292 HA LYS 37 HA LYS 37 -10.644 -2.866 -3.232 293 1HB LYS 37 1HB LYS 37 -11.942 -1.772 -1.355 294 2HB LYS 37 2HB LYS 37 -11.581 -0.746 -2.731 295 1HG LYS 37 1HG LYS 37 -13.785 -0.218 -2.164 296 2HG LYS 37 2HG LYS 37 -13.933 -1.280 -3.559 297 1HD LYS 37 1HD LYS 37 -15.593 -1.848 -1.873 298 2HD LYS 37 2HD LYS 37 -14.437 -3.167 -2.053 299 1HE LYS 37 1HE LYS 37 -13.270 -2.453 -0.039 300 2HE LYS 37 2HE LYS 37 -14.345 -1.065 0.118 301 1HZ LYS 37 1HZ LYS 37 -14.964 -2.912 1.582 302 2HZ LYS 37 2HZ LYS 37 -15.218 -3.900 0.232 303 3HZ LYS 37 3HZ LYS 37 -16.190 -2.541 0.478 304 H VAL 38 H VAL 38 -10.930 -3.898 -1.074 305 HA VAL 38 HA VAL 38 -13.128 -5.830 -0.888 306 HB VAL 38 HB VAL 38 -11.636 -7.631 -0.181 307 1HG1 VAL 38 1HG1 VAL 38 -12.220 -7.590 -2.522 308 2HG1 VAL 38 2HG1 VAL 38 -10.563 -8.161 -2.337 309 3HG1 VAL 38 3HG1 VAL 38 -10.872 -6.511 -2.878 310 1HG2 VAL 38 1HG2 VAL 38 -9.180 -7.436 -0.470 311 2HG2 VAL 38 2HG2 VAL 38 -9.819 -6.367 0.778 312 3HG2 VAL 38 3HG2 VAL 38 -9.385 -5.716 -0.802 313 H THR 39 H THR 39 -12.997 -6.895 1.375 314 HA THR 39 HA THR 39 -12.054 -4.961 3.381 315 HB THR 39 HB THR 39 -14.762 -6.330 3.463 316 HG1 THR 39 HG1 THR 39 -15.581 -4.236 3.000 317 1HG2 THR 39 1HG2 THR 39 -13.559 -4.162 5.203 318 2HG2 THR 39 2HG2 THR 39 -13.827 -5.839 5.679 319 3HG2 THR 39 3HG2 THR 39 -15.202 -4.790 5.333 320 H LEU 40 H LEU 40 -10.767 -5.944 4.794 321 HA LEU 40 HA LEU 40 -10.631 -8.810 5.042 322 1HB LEU 40 1HB LEU 40 -9.263 -6.614 6.618 323 2HB LEU 40 2HB LEU 40 -8.907 -8.321 6.774 324 HG LEU 40 HG LEU 40 -8.425 -6.613 4.342 325 1HD1 LEU 40 1HD1 LEU 40 -6.829 -6.185 6.103 326 2HD1 LEU 40 2HD1 LEU 40 -6.063 -7.045 4.770 327 3HD1 LEU 40 3HD1 LEU 40 -6.493 -7.912 6.244 328 1HD2 LEU 40 1HD2 LEU 40 -7.356 -8.591 3.361 329 2HD2 LEU 40 2HD2 LEU 40 -9.075 -8.852 3.651 330 3HD2 LEU 40 3HD2 LEU 40 -7.881 -9.552 4.744 331 H ALA 41 H ALA 41 -10.943 -9.978 7.032 332 HA ALA 41 HA ALA 41 -13.330 -9.351 8.410 333 1HB ALA 41 1HB ALA 41 -12.499 -11.648 8.091 334 2HB ALA 41 2HB ALA 41 -12.834 -11.296 9.787 335 3HB ALA 41 3HB ALA 41 -11.171 -11.312 9.200 336 H ASN 42 H ASN 42 -10.251 -8.100 8.784 337 HA ASN 42 HA ASN 42 -10.389 -7.606 11.642 338 1HB ASN 42 1HB ASN 42 -8.213 -8.067 10.560 339 2HB ASN 42 2HB ASN 42 -8.408 -6.642 9.549 340 1HD2 ASN 42 1HD2 ASN 42 -7.773 -7.811 12.768 341 2HD2 ASN 42 2HD2 ASN 42 -7.150 -6.326 13.399 342 H GLY 43 H GLY 43 -11.624 -6.226 8.836 343 1HA GLY 43 1HA GLY 43 -13.038 -4.328 8.790 344 2HA GLY 43 2HA GLY 43 -12.203 -3.691 10.201 345 H TRP 44 H TRP 44 -9.837 -4.809 8.276 346 HA TRP 44 HA TRP 44 -9.087 -2.185 7.355 347 1HB TRP 44 1HB TRP 44 -7.426 -3.793 8.268 348 2HB TRP 44 2HB TRP 44 -7.739 -4.869 6.915 349 HD1 TRP 44 HD1 TRP 44 -7.067 -3.766 4.398 350 HE1 TRP 44 HE1 TRP 44 -5.043 -2.296 3.806 351 HE3 TRP 44 HE3 TRP 44 -5.833 -2.137 9.089 352 HZ2 TRP 44 HZ2 TRP 44 -3.162 -0.682 5.138 353 HZ3 TRP 44 HZ3 TRP 44 -3.903 -0.633 9.338 354 HH2 TRP 44 HH2 TRP 44 -2.596 0.079 7.404 355 H GLN 45 H GLN 45 -9.686 -1.360 5.470 356 HA GLN 45 HA GLN 45 -10.731 -3.093 3.353 357 1HB GLN 45 1HB GLN 45 -10.737 -0.074 3.630 358 2HB GLN 45 2HB GLN 45 -11.506 -0.975 2.329 359 1HG GLN 45 1HG GLN 45 -13.037 -2.004 3.903 360 2HG GLN 45 2HG GLN 45 -12.230 -1.200 5.248 361 1HE2 GLN 45 1HE2 GLN 45 -12.535 1.010 5.558 362 2HE2 GLN 45 2HE2 GLN 45 -13.812 1.879 4.783 363 H LEU 46 H LEU 46 -9.661 -3.453 1.485 364 HA LEU 46 HA LEU 46 -7.140 -1.975 1.026 365 1HB LEU 46 1HB LEU 46 -7.061 -4.455 1.872 366 2HB LEU 46 2HB LEU 46 -7.518 -4.858 0.231 367 HG LEU 46 HG LEU 46 -5.087 -5.063 0.634 368 1HD1 LEU 46 1HD1 LEU 46 -5.867 -4.603 -1.631 369 2HD1 LEU 46 2HD1 LEU 46 -4.301 -3.855 -1.325 370 3HD1 LEU 46 3HD1 LEU 46 -5.765 -2.870 -1.322 371 1HD2 LEU 46 1HD2 LEU 46 -3.712 -3.065 0.941 372 2HD2 LEU 46 2HD2 LEU 46 -4.823 -3.300 2.291 373 3HD2 LEU 46 3HD2 LEU 46 -5.168 -2.077 1.066 374 H GLU 47 H GLU 47 -6.877 -1.162 -0.990 375 HA GLU 47 HA GLU 47 -9.078 -1.464 -2.878 376 1HB GLU 47 1HB GLU 47 -8.272 0.801 -2.317 377 2HB GLU 47 2HB GLU 47 -6.680 0.386 -2.935 378 1HG GLU 47 1HG GLU 47 -7.725 -0.007 -5.170 379 2HG GLU 47 2HG GLU 47 -9.239 0.607 -4.507 380 H LEU 48 H LEU 48 -8.970 -2.829 -4.522 381 HA LEU 48 HA LEU 48 -6.341 -3.656 -5.571 382 1HB LEU 48 1HB LEU 48 -9.023 -5.056 -5.679 383 2HB LEU 48 2HB LEU 48 -7.616 -5.583 -6.579 384 HG LEU 48 HG LEU 48 -7.795 -6.973 -4.648 385 1HD1 LEU 48 1HD1 LEU 48 -5.530 -6.322 -5.240 386 2HD1 LEU 48 2HD1 LEU 48 -5.685 -6.550 -3.500 387 3HD1 LEU 48 3HD1 LEU 48 -5.636 -4.920 -4.174 388 1HD2 LEU 48 1HD2 LEU 48 -9.228 -5.504 -3.300 389 2HD2 LEU 48 2HD2 LEU 48 -7.841 -4.472 -2.957 390 3HD2 LEU 48 3HD2 LEU 48 -7.869 -6.138 -2.374 391 HA PRO 49 HA PRO 49 -7.815 -0.723 -8.686 392 1HB PRO 49 1HB PRO 49 -5.115 -1.112 -9.831 393 2HB PRO 49 2HB PRO 49 -5.892 0.368 -9.259 394 1HG PRO 49 1HG PRO 49 -3.900 -0.784 -7.882 395 2HG PRO 49 2HG PRO 49 -5.256 0.013 -7.060 396 1HD PRO 49 1HD PRO 49 -4.784 -2.918 -7.532 397 2HD PRO 49 2HD PRO 49 -5.360 -2.091 -6.068 398 H ALA 50 H ALA 50 -9.101 -2.758 -9.293 399 HA ALA 50 HA ALA 50 -9.821 -4.307 -10.808 400 1HB ALA 50 1HB ALA 50 -10.563 -2.140 -11.652 401 2HB ALA 50 2HB ALA 50 -10.278 -3.283 -12.966 402 3HB ALA 50 3HB ALA 50 -9.100 -2.013 -12.631 403 H MET 51 H MET 51 -8.300 -5.972 -10.677 404 HA MET 51 HA MET 51 -6.692 -6.257 -13.126 405 1HB MET 51 1HB MET 51 -5.935 -7.171 -10.335 406 2HB MET 51 2HB MET 51 -5.091 -7.662 -11.797 407 1HG MET 51 1HG MET 51 -5.333 -4.839 -10.766 408 2HG MET 51 2HG MET 51 -3.914 -5.876 -10.631 409 1HE MET 51 1HE MET 51 -2.355 -4.052 -11.736 410 2HE MET 51 2HE MET 51 -3.734 -2.957 -11.838 411 3HE MET 51 3HE MET 51 -2.725 -3.237 -13.257 412 H ALA 52 H ALA 52 -6.008 -8.920 -12.867 413 HA ALA 52 HA ALA 52 -8.258 -10.264 -13.780 414 1HB ALA 52 1HB ALA 52 -6.972 -12.326 -13.486 415 2HB ALA 52 2HB ALA 52 -5.818 -11.469 -12.462 416 3HB ALA 52 3HB ALA 52 -5.968 -11.044 -14.169 417 H ALA 53 H ALA 53 -10.091 -10.563 -12.698 418 HA ALA 53 HA ALA 53 -10.527 -10.285 -9.994 419 1HB ALA 53 1HB ALA 53 -12.148 -11.980 -11.899 420 2HB ALA 53 2HB ALA 53 -12.299 -10.235 -11.690 421 3HB ALA 53 3HB ALA 53 -12.701 -11.319 -10.358 422 H ASP 54 H ASP 54 -9.780 -13.231 -11.772 423 HA ASP 54 HA ASP 54 -9.160 -14.514 -9.194 424 1HB ASP 54 1HB ASP 54 -11.238 -15.465 -10.285 425 2HB ASP 54 2HB ASP 54 -10.222 -15.982 -11.627 426 H THR 55 H THR 55 -7.127 -13.400 -9.783 427 HA THR 55 HA THR 55 -5.511 -14.063 -11.948 428 HB THR 55 HB THR 55 -4.908 -12.196 -10.571 429 HG1 THR 55 HG1 THR 55 -2.682 -13.144 -9.808 430 1HG2 THR 55 1HG2 THR 55 -4.129 -12.425 -8.255 431 2HG2 THR 55 2HG2 THR 55 -4.489 -14.152 -8.302 432 3HG2 THR 55 3HG2 THR 55 -5.797 -12.974 -8.427 433 HA PRO 56 HA PRO 56 -4.454 -18.282 -11.121 434 1HB PRO 56 1HB PRO 56 -2.379 -18.597 -12.813 435 2HB PRO 56 2HB PRO 56 -4.032 -18.361 -13.394 436 1HG PRO 56 1HG PRO 56 -1.812 -16.358 -13.148 437 2HG PRO 56 2HG PRO 56 -2.943 -16.614 -14.492 438 1HD PRO 56 1HD PRO 56 -3.267 -14.653 -12.625 439 2HD PRO 56 2HD PRO 56 -4.629 -15.426 -13.461 440 H LEU 57 H LEU 57 -2.680 -15.779 -9.893 441 HA LEU 57 HA LEU 57 -1.085 -17.598 -8.296 442 1HB LEU 57 1HB LEU 57 1.042 -16.569 -8.700 443 2HB LEU 57 2HB LEU 57 0.380 -17.082 -10.238 444 HG LEU 57 HG LEU 57 0.273 -14.224 -9.241 445 1HD1 LEU 57 1HD1 LEU 57 2.243 -15.495 -11.144 446 2HD1 LEU 57 2HD1 LEU 57 2.595 -14.903 -9.519 447 3HD1 LEU 57 3HD1 LEU 57 2.118 -13.772 -10.785 448 1HD2 LEU 57 1HD2 LEU 57 -0.216 -13.682 -11.575 449 2HD2 LEU 57 2HD2 LEU 57 -1.432 -14.769 -10.907 450 3HD2 LEU 57 3HD2 LEU 57 -0.187 -15.398 -11.988 451 HA PRO 58 HA PRO 58 -1.944 -14.510 -5.156 452 1HB PRO 58 1HB PRO 58 0.142 -15.043 -3.462 453 2HB PRO 58 2HB PRO 58 -1.316 -16.038 -3.548 454 1HG PRO 58 1HG PRO 58 1.361 -16.485 -4.825 455 2HG PRO 58 2HG PRO 58 0.303 -17.648 -4.003 456 1HD PRO 58 1HD PRO 58 0.427 -17.491 -6.692 457 2HD PRO 58 2HD PRO 58 -1.085 -17.880 -5.846 458 H ILE 59 H ILE 59 -1.530 -12.611 -6.296 459 HA ILE 59 HA ILE 59 1.248 -11.878 -6.845 460 HB ILE 59 HB ILE 59 -0.292 -11.803 -8.730 461 1HG1 ILE 59 1HG1 ILE 59 0.539 -9.021 -7.847 462 2HG1 ILE 59 2HG1 ILE 59 1.562 -10.180 -8.690 463 1HG2 ILE 59 1HG2 ILE 59 -2.369 -11.386 -7.520 464 2HG2 ILE 59 2HG2 ILE 59 -2.156 -10.212 -8.818 465 3HG2 ILE 59 3HG2 ILE 59 -1.838 -9.746 -7.146 466 1HD1 ILE 59 1HD1 ILE 59 0.081 -10.070 -10.627 467 2HD1 ILE 59 2HD1 ILE 59 0.723 -8.484 -10.200 468 3HD1 ILE 59 3HD1 ILE 59 -0.936 -8.903 -9.781 469 H THR 60 H THR 60 2.126 -9.889 -6.285 470 HA THR 60 HA THR 60 0.901 -8.537 -3.992 471 HB THR 60 HB THR 60 3.715 -8.327 -5.107 472 HG1 THR 60 HG1 THR 60 3.125 -10.365 -4.077 473 1HG2 THR 60 1HG2 THR 60 4.239 -7.167 -3.000 474 2HG2 THR 60 2HG2 THR 60 2.537 -7.230 -2.540 475 3HG2 THR 60 3HG2 THR 60 3.037 -6.278 -3.938 476 H VAL 61 H VAL 61 0.037 -6.558 -4.201 477 HA VAL 61 HA VAL 61 0.698 -4.920 -6.553 478 HB VAL 61 HB VAL 61 -1.690 -4.267 -6.763 479 1HG1 VAL 61 1HG1 VAL 61 -1.178 -7.226 -7.092 480 2HG1 VAL 61 2HG1 VAL 61 -0.763 -5.964 -8.252 481 3HG1 VAL 61 3HG1 VAL 61 -2.454 -6.305 -7.888 482 1HG2 VAL 61 1HG2 VAL 61 -2.177 -6.522 -4.806 483 2HG2 VAL 61 2HG2 VAL 61 -3.425 -5.650 -5.698 484 3HG2 VAL 61 3HG2 VAL 61 -2.442 -4.803 -4.504 485 H GLU 62 H GLU 62 -0.524 -2.707 -6.240 486 HA GLU 62 HA GLU 62 0.667 -1.304 -4.169 487 1HB GLU 62 1HB GLU 62 -1.737 -0.670 -5.884 488 2HB GLU 62 2HB GLU 62 -1.036 0.490 -4.765 489 1HG GLU 62 1HG GLU 62 0.621 -0.822 -6.897 490 2HG GLU 62 2HG GLU 62 -0.353 0.609 -7.230 491 H ALA 63 H ALA 63 0.326 -1.761 -2.063 492 HA ALA 63 HA ALA 63 -2.207 -2.399 -0.920 493 1HB ALA 63 1HB ALA 63 -1.080 -2.117 1.237 494 2HB ALA 63 2HB ALA 63 0.316 -1.410 0.420 495 3HB ALA 63 3HB ALA 63 -0.114 -3.097 0.135 496 H ARG 64 H ARG 64 -3.813 -0.970 -0.956 497 HA ARG 64 HA ARG 64 -3.310 1.754 0.058 498 1HB ARG 64 1HB ARG 64 -5.204 1.057 -2.202 499 2HB ARG 64 2HB ARG 64 -4.885 2.665 -1.564 500 1HG ARG 64 1HG ARG 64 -2.626 2.598 -2.406 501 2HG ARG 64 2HG ARG 64 -2.835 0.925 -2.928 502 1HD ARG 64 1HD ARG 64 -4.625 1.671 -4.469 503 2HD ARG 64 2HD ARG 64 -4.301 3.338 -3.992 504 HE ARG 64 HE ARG 64 -1.881 2.504 -4.809 505 1HH1 ARG 64 1HH1 ARG 64 -5.055 2.317 -6.293 506 2HH1 ARG 64 2HH1 ARG 64 -4.429 2.371 -7.916 507 1HH2 ARG 64 1HH2 ARG 64 -1.065 2.568 -6.944 508 2HH2 ARG 64 2HH2 ARG 64 -2.169 2.511 -8.286 509 H LYS 65 H LYS 65 -4.783 2.408 1.582 510 HA LYS 65 HA LYS 65 -6.925 0.484 2.199 511 1HB LYS 65 1HB LYS 65 -5.249 0.731 3.986 512 2HB LYS 65 2HB LYS 65 -5.570 2.462 4.051 513 1HG LYS 65 1HG LYS 65 -7.895 1.992 4.707 514 2HG LYS 65 2HG LYS 65 -7.545 0.265 4.674 515 1HD LYS 65 1HD LYS 65 -5.861 0.596 6.446 516 2HD LYS 65 2HD LYS 65 -6.272 2.313 6.495 517 1HE LYS 65 1HE LYS 65 -8.191 0.044 7.043 518 2HE LYS 65 2HE LYS 65 -7.390 1.016 8.275 519 1HZ LYS 65 1HZ LYS 65 -9.652 1.773 7.831 520 2HZ LYS 65 2HZ LYS 65 -9.256 2.077 6.212 521 3HZ LYS 65 3HZ LYS 65 -8.518 2.967 7.448 522 H LEU 66 H LEU 66 -8.962 1.215 2.751 523 HA LEU 66 HA LEU 66 -9.646 3.912 1.832 524 1HB LEU 66 1HB LEU 66 -11.436 1.554 2.464 525 2HB LEU 66 2HB LEU 66 -11.967 3.094 1.811 526 HG LEU 66 HG LEU 66 -10.181 1.094 0.402 527 1HD1 LEU 66 1HD1 LEU 66 -12.088 0.819 -1.113 528 2HD1 LEU 66 2HD1 LEU 66 -13.048 1.891 -0.095 529 3HD1 LEU 66 3HD1 LEU 66 -12.484 0.344 0.539 530 1HD2 LEU 66 1HD2 LEU 66 -10.411 2.563 -1.551 531 2HD2 LEU 66 2HD2 LEU 66 -9.582 3.370 -0.221 532 3HD2 LEU 66 3HD2 LEU 66 -11.273 3.742 -0.561 Start of MODEL 14 1 H MET 1 H MET 1 4.982 -0.043 -0.836 2 HA MET 1 HA MET 1 2.807 -0.073 0.128 3 1HB MET 1 1HB MET 1 0.833 0.351 -1.351 4 2HB MET 1 2HB MET 1 1.786 1.783 -0.993 5 1HG MET 1 1HG MET 1 1.854 0.195 -3.553 6 2HG MET 1 2HG MET 1 1.082 1.761 -3.312 7 1HE MET 1 1HE MET 1 3.176 1.160 -5.661 8 2HE MET 1 2HE MET 1 4.135 2.638 -5.609 9 3HE MET 1 3HE MET 1 2.383 2.719 -5.421 10 H LYS 2 H LYS 2 3.686 -2.154 0.182 11 HA LYS 2 HA LYS 2 3.285 -3.885 -2.153 12 1HB LYS 2 1HB LYS 2 5.541 -3.836 -1.238 13 2HB LYS 2 2HB LYS 2 4.937 -4.209 0.369 14 1HG LYS 2 1HG LYS 2 4.211 -6.429 -0.446 15 2HG LYS 2 2HG LYS 2 4.897 -6.045 -2.029 16 1HD LYS 2 1HD LYS 2 7.116 -5.872 -1.081 17 2HD LYS 2 2HD LYS 2 6.477 -6.073 0.551 18 1HE LYS 2 1HE LYS 2 7.458 -8.151 -0.171 19 2HE LYS 2 2HE LYS 2 5.709 -8.348 -0.076 20 1HZ LYS 2 1HZ LYS 2 6.609 -9.360 -2.067 21 2HZ LYS 2 2HZ LYS 2 7.271 -7.885 -2.560 22 3HZ LYS 2 3HZ LYS 2 5.594 -8.072 -2.477 23 H VAL 3 H VAL 3 1.466 -5.056 -2.174 24 HA VAL 3 HA VAL 3 0.687 -6.438 0.296 25 HB VAL 3 HB VAL 3 -0.850 -4.492 -0.012 26 1HG1 VAL 3 1HG1 VAL 3 -2.506 -4.527 -1.814 27 2HG1 VAL 3 2HG1 VAL 3 -1.707 -5.927 -2.530 28 3HG1 VAL 3 3HG1 VAL 3 -0.867 -4.378 -2.449 29 1HG2 VAL 3 1HG2 VAL 3 -2.126 -7.210 -0.315 30 2HG2 VAL 3 2HG2 VAL 3 -2.920 -5.760 0.301 31 3HG2 VAL 3 3HG2 VAL 3 -1.577 -6.475 1.191 32 H MET 4 H MET 4 0.269 -8.549 -0.006 33 HA MET 4 HA MET 4 0.220 -9.537 -2.785 34 1HB MET 4 1HB MET 4 2.221 -10.229 -1.530 35 2HB MET 4 2HB MET 4 1.204 -10.926 -0.276 36 1HG MET 4 1HG MET 4 0.321 -12.542 -1.886 37 2HG MET 4 2HG MET 4 1.335 -11.840 -3.146 38 1HE MET 4 1HE MET 4 1.280 -13.779 0.261 39 2HE MET 4 2HE MET 4 2.324 -12.410 0.646 40 3HE MET 4 3HE MET 4 2.998 -14.037 0.562 41 H ILE 5 H ILE 5 -1.701 -10.226 -3.403 42 HA ILE 5 HA ILE 5 -3.702 -11.084 -1.466 43 HB ILE 5 HB ILE 5 -3.894 -10.987 -4.495 44 1HG1 ILE 5 1HG1 ILE 5 -3.454 -8.749 -3.569 45 2HG1 ILE 5 2HG1 ILE 5 -5.091 -8.859 -4.203 46 1HG2 ILE 5 1HG2 ILE 5 -5.539 -12.481 -3.496 47 2HG2 ILE 5 2HG2 ILE 5 -6.330 -11.028 -4.112 48 3HG2 ILE 5 3HG2 ILE 5 -6.046 -11.212 -2.380 49 1HD1 ILE 5 1HD1 ILE 5 -4.295 -9.000 -1.304 50 2HD1 ILE 5 2HD1 ILE 5 -5.941 -9.136 -1.925 51 3HD1 ILE 5 3HD1 ILE 5 -5.044 -7.631 -2.122 52 H ARG 6 H ARG 6 -3.831 -13.169 -0.849 53 HA ARG 6 HA ARG 6 -2.508 -15.204 -2.493 54 1HB ARG 6 1HB ARG 6 -3.560 -15.360 0.346 55 2HB ARG 6 2HB ARG 6 -2.750 -16.669 -0.505 56 1HG ARG 6 1HG ARG 6 -0.766 -15.095 -0.747 57 2HG ARG 6 2HG ARG 6 -1.585 -14.052 0.418 58 1HD ARG 6 1HD ARG 6 -0.756 -16.924 0.866 59 2HD ARG 6 2HD ARG 6 0.049 -15.498 1.519 60 HE ARG 6 HE ARG 6 -2.022 -15.070 2.792 61 1HH1 ARG 6 1HH1 ARG 6 -1.422 -18.314 1.601 62 2HH1 ARG 6 2HH1 ARG 6 -2.395 -19.073 2.821 63 1HH2 ARG 6 1HH2 ARG 6 -3.283 -16.073 4.396 64 2HH2 ARG 6 2HH2 ARG 6 -3.460 -17.799 4.404 65 H LYS 7 H LYS 7 -3.614 -16.585 -3.683 66 HA LYS 7 HA LYS 7 -6.510 -16.451 -3.682 67 1HB LYS 7 1HB LYS 7 -4.561 -17.902 -5.486 68 2HB LYS 7 2HB LYS 7 -6.306 -17.924 -5.699 69 1HG LYS 7 1HG LYS 7 -4.496 -15.518 -5.881 70 2HG LYS 7 2HG LYS 7 -5.334 -16.327 -7.207 71 1HD LYS 7 1HD LYS 7 -7.498 -15.761 -5.983 72 2HD LYS 7 2HD LYS 7 -6.521 -14.699 -4.966 73 1HE LYS 7 1HE LYS 7 -7.472 -13.373 -6.719 74 2HE LYS 7 2HE LYS 7 -5.748 -13.547 -7.047 75 1HZ LYS 7 1HZ LYS 7 -6.318 -15.361 -8.600 76 2HZ LYS 7 2HZ LYS 7 -6.969 -13.873 -9.060 77 3HZ LYS 7 3HZ LYS 7 -7.962 -15.038 -8.349 78 H THR 8 H THR 8 -7.622 -17.691 -2.409 79 HA THR 8 HA THR 8 -7.287 -20.544 -2.367 80 HB THR 8 HB THR 8 -7.055 -18.999 0.246 81 HG1 THR 8 HG1 THR 8 -5.174 -20.142 -1.464 82 1HG2 THR 8 1HG2 THR 8 -6.999 -21.976 -0.288 83 2HG2 THR 8 2HG2 THR 8 -8.299 -21.090 0.510 84 3HG2 THR 8 3HG2 THR 8 -6.712 -21.207 1.272 85 H ALA 9 H ALA 9 -9.287 -21.484 -2.073 86 HA ALA 9 HA ALA 9 -11.540 -20.017 -2.671 87 1HB ALA 9 1HB ALA 9 -11.454 -22.680 -1.247 88 2HB ALA 9 2HB ALA 9 -11.368 -22.436 -2.993 89 3HB ALA 9 3HB ALA 9 -12.837 -22.010 -2.114 90 H THR 10 H THR 10 -11.327 -21.705 0.457 91 HA THR 10 HA THR 10 -13.167 -19.884 1.677 92 HB THR 10 HB THR 10 -11.421 -21.996 2.980 93 HG1 THR 10 HG1 THR 10 -14.040 -22.112 1.851 94 1HG2 THR 10 1HG2 THR 10 -13.122 -21.979 4.758 95 2HG2 THR 10 2HG2 THR 10 -13.966 -20.663 3.942 96 3HG2 THR 10 3HG2 THR 10 -12.349 -20.402 4.599 97 H GLY 11 H GLY 11 -9.709 -20.132 1.434 98 1HA GLY 11 1HA GLY 11 -9.321 -18.236 3.649 99 2HA GLY 11 2HA GLY 11 -8.088 -19.276 2.961 100 H HIS 12 H HIS 12 -10.308 -17.175 1.132 101 HA HIS 12 HA HIS 12 -8.273 -15.868 -0.300 102 1HB HIS 12 1HB HIS 12 -11.124 -15.083 0.330 103 2HB HIS 12 2HB HIS 12 -10.059 -13.999 -0.554 104 HD1 HIS 12 HD1 HIS 12 -12.261 -16.914 -0.997 105 HD2 HIS 12 HD2 HIS 12 -9.207 -15.046 -3.112 106 HE1 HIS 12 HE1 HIS 12 -12.469 -17.741 -3.357 107 HE2 HIS 12 HE2 HIS 12 -10.665 -16.540 -4.638 108 H SER 13 H SER 13 -6.729 -14.565 0.482 109 HA SER 13 HA SER 13 -7.341 -12.851 2.782 110 1HB SER 13 1HB SER 13 -5.062 -13.574 3.735 111 2HB SER 13 2HB SER 13 -6.392 -14.722 3.878 112 HG SER 13 HG SER 13 -5.557 -15.895 2.190 113 H ALA 14 H ALA 14 -6.003 -11.057 3.030 114 HA ALA 14 HA ALA 14 -4.275 -10.409 0.722 115 1HB ALA 14 1HB ALA 14 -6.373 -9.144 0.632 116 2HB ALA 14 2HB ALA 14 -5.003 -8.078 0.939 117 3HB ALA 14 3HB ALA 14 -6.080 -8.531 2.261 118 H TYR 15 H TYR 15 -2.221 -10.290 1.368 119 HA TYR 15 HA TYR 15 -1.623 -9.654 4.161 120 1HB TYR 15 1HB TYR 15 -0.554 -11.661 3.366 121 2HB TYR 15 2HB TYR 15 0.087 -10.826 1.953 122 HD1 TYR 15 HD1 TYR 15 2.337 -10.280 2.030 123 HD2 TYR 15 HD2 TYR 15 0.152 -10.433 5.687 124 HE1 TYR 15 HE1 TYR 15 4.380 -9.714 3.271 125 HE2 TYR 15 HE2 TYR 15 2.193 -9.872 6.932 126 HH TYR 15 HH TYR 15 4.557 -9.904 6.716 127 H VAL 16 H VAL 16 -1.624 -7.511 4.434 128 HA VAL 16 HA VAL 16 -0.374 -5.673 2.602 129 HB VAL 16 HB VAL 16 -1.334 -5.213 5.441 130 1HG1 VAL 16 1HG1 VAL 16 -0.673 -3.242 3.248 131 2HG1 VAL 16 2HG1 VAL 16 0.246 -3.508 4.732 132 3HG1 VAL 16 3HG1 VAL 16 -1.383 -2.835 4.811 133 1HG2 VAL 16 1HG2 VAL 16 -3.357 -4.270 4.409 134 2HG2 VAL 16 2HG2 VAL 16 -3.156 -5.977 4.013 135 3HG2 VAL 16 3HG2 VAL 16 -2.761 -4.742 2.817 136 H ALA 17 H ALA 17 1.794 -5.873 2.414 137 HA ALA 17 HA ALA 17 3.450 -6.964 4.434 138 1HB ALA 17 1HB ALA 17 5.299 -6.493 2.924 139 2HB ALA 17 2HB ALA 17 4.253 -5.464 1.944 140 3HB ALA 17 3HB ALA 17 3.939 -7.197 2.050 141 H LYS 18 H LYS 18 2.780 -3.640 3.461 142 HA LYS 18 HA LYS 18 4.975 -2.481 4.837 143 1HB LYS 18 1HB LYS 18 3.814 -0.318 4.467 144 2HB LYS 18 2HB LYS 18 3.977 -1.281 3.011 145 1HG LYS 18 1HG LYS 18 1.830 -0.426 2.852 146 2HG LYS 18 2HG LYS 18 1.571 -2.052 3.472 147 1HD LYS 18 1HD LYS 18 0.133 -0.552 4.672 148 2HD LYS 18 2HD LYS 18 1.401 -1.082 5.772 149 1HE LYS 18 1HE LYS 18 1.532 1.522 4.254 150 2HE LYS 18 2HE LYS 18 0.785 1.381 5.842 151 1HZ LYS 18 1HZ LYS 18 3.631 0.829 5.178 152 2HZ LYS 18 2HZ LYS 18 2.929 0.565 6.695 153 3HZ LYS 18 3HZ LYS 18 3.034 2.134 6.073 154 H LYS 19 H LYS 19 2.288 -3.939 6.079 155 HA LYS 19 HA LYS 19 2.676 -2.583 8.669 156 1HB LYS 19 1HB LYS 19 0.481 -2.039 7.400 157 2HB LYS 19 2HB LYS 19 0.005 -3.687 7.763 158 1HG LYS 19 1HG LYS 19 0.809 -1.770 9.936 159 2HG LYS 19 2HG LYS 19 -0.829 -1.802 9.288 160 1HD LYS 19 1HD LYS 19 -1.025 -4.172 9.920 161 2HD LYS 19 2HD LYS 19 0.611 -4.129 10.574 162 1HE LYS 19 1HE LYS 19 -1.747 -2.520 11.551 163 2HE LYS 19 2HE LYS 19 -1.032 -3.915 12.358 164 1HZ LYS 19 1HZ LYS 19 -0.234 -1.910 13.367 165 2HZ LYS 19 2HZ LYS 19 0.269 -1.288 11.881 166 3HZ LYS 19 3HZ LYS 19 1.049 -2.635 12.542 167 H ASP 20 H ASP 20 2.658 -5.441 6.853 168 HA ASP 20 HA ASP 20 2.606 -7.657 7.246 169 1HB ASP 20 1HB ASP 20 4.569 -7.187 8.653 170 2HB ASP 20 2HB ASP 20 3.520 -6.848 10.026 171 H LEU 21 H LEU 21 0.250 -6.952 7.024 172 HA LEU 21 HA LEU 21 -1.272 -8.098 9.273 173 1HB LEU 21 1HB LEU 21 -1.429 -5.593 9.201 174 2HB LEU 21 2HB LEU 21 -2.119 -5.715 7.598 175 HG LEU 21 HG LEU 21 -3.432 -6.971 10.016 176 1HD1 LEU 21 1HD1 LEU 21 -3.902 -4.215 8.875 177 2HD1 LEU 21 2HD1 LEU 21 -3.200 -4.588 10.450 178 3HD1 LEU 21 3HD1 LEU 21 -4.882 -4.998 10.116 179 1HD2 LEU 21 1HD2 LEU 21 -5.461 -6.832 8.632 180 2HD2 LEU 21 2HD2 LEU 21 -4.217 -7.820 7.872 181 3HD2 LEU 21 3HD2 LEU 21 -4.505 -6.175 7.302 182 H GLU 22 H GLU 22 -2.265 -9.874 8.563 183 HA GLU 22 HA GLU 22 -3.373 -9.873 5.835 184 1HB GLU 22 1HB GLU 22 -1.370 -11.350 5.967 185 2HB GLU 22 2HB GLU 22 -2.164 -12.272 7.239 186 1HG GLU 22 1HG GLU 22 -4.015 -12.751 5.614 187 2HG GLU 22 2HG GLU 22 -3.021 -12.010 4.362 188 H GLU 23 H GLU 23 -5.494 -10.044 5.883 189 HA GLU 23 HA GLU 23 -6.761 -11.657 7.996 190 1HB GLU 23 1HB GLU 23 -6.997 -9.198 8.460 191 2HB GLU 23 2HB GLU 23 -7.847 -9.036 6.932 192 1HG GLU 23 1HG GLU 23 -9.399 -9.106 8.793 193 2HG GLU 23 2HG GLU 23 -9.621 -10.491 7.727 194 H LEU 24 H LEU 24 -8.952 -12.382 7.374 195 HA LEU 24 HA LEU 24 -8.917 -13.403 4.692 196 1HB LEU 24 1HB LEU 24 -10.975 -13.654 6.891 197 2HB LEU 24 2HB LEU 24 -11.063 -14.492 5.352 198 HG LEU 24 HG LEU 24 -8.918 -14.862 7.453 199 1HD1 LEU 24 1HD1 LEU 24 -11.133 -16.701 6.543 200 2HD1 LEU 24 2HD1 LEU 24 -11.057 -15.851 8.086 201 3HD1 LEU 24 3HD1 LEU 24 -9.871 -17.100 7.710 202 1HD2 LEU 24 1HD2 LEU 24 -7.989 -15.129 5.214 203 2HD2 LEU 24 2HD2 LEU 24 -9.287 -16.245 4.791 204 3HD2 LEU 24 3HD2 LEU 24 -8.109 -16.689 6.025 205 H ILE 25 H ILE 25 -9.994 -12.718 2.979 206 HA ILE 25 HA ILE 25 -11.467 -10.242 3.039 207 HB ILE 25 HB ILE 25 -10.919 -12.173 0.765 208 1HG1 ILE 25 1HG1 ILE 25 -9.560 -9.554 1.474 209 2HG1 ILE 25 2HG1 ILE 25 -8.878 -11.155 1.740 210 1HG2 ILE 25 1HG2 ILE 25 -12.886 -10.831 0.301 211 2HG2 ILE 25 2HG2 ILE 25 -11.543 -10.311 -0.716 212 3HG2 ILE 25 3HG2 ILE 25 -12.002 -9.355 0.695 213 1HD1 ILE 25 1HD1 ILE 25 -8.879 -11.545 -0.677 214 2HD1 ILE 25 2HD1 ILE 25 -7.928 -10.130 -0.230 215 3HD1 ILE 25 3HD1 ILE 25 -9.532 -9.926 -0.929 216 H VAL 26 H VAL 26 -13.470 -10.400 3.911 217 HA VAL 26 HA VAL 26 -15.156 -12.715 3.210 218 HB VAL 26 HB VAL 26 -16.520 -12.143 5.154 219 1HG1 VAL 26 1HG1 VAL 26 -14.876 -12.639 6.919 220 2HG1 VAL 26 2HG1 VAL 26 -13.567 -12.268 5.797 221 3HG1 VAL 26 3HG1 VAL 26 -14.630 -13.642 5.489 222 1HG2 VAL 26 1HG2 VAL 26 -15.836 -10.357 6.706 223 2HG2 VAL 26 2HG2 VAL 26 -16.257 -9.710 5.121 224 3HG2 VAL 26 3HG2 VAL 26 -14.562 -9.871 5.586 225 H GLU 27 H GLU 27 -14.620 -9.677 2.173 226 HA GLU 27 HA GLU 27 -17.299 -9.401 1.063 227 1HB GLU 27 1HB GLU 27 -17.372 -8.108 3.154 228 2HB GLU 27 2HB GLU 27 -15.933 -7.234 2.669 229 1HG GLU 27 1HG GLU 27 -17.858 -5.843 2.329 230 2HG GLU 27 2HG GLU 27 -17.175 -6.278 0.762 231 H MET 28 H MET 28 -17.285 -8.475 -0.945 232 HA MET 28 HA MET 28 -14.779 -7.330 -1.973 233 1HB MET 28 1HB MET 28 -16.289 -9.607 -3.298 234 2HB MET 28 2HB MET 28 -14.928 -8.747 -4.002 235 1HG MET 28 1HG MET 28 -13.447 -9.605 -2.307 236 2HG MET 28 2HG MET 28 -14.795 -10.367 -1.463 237 1HE MET 28 1HE MET 28 -13.572 -12.708 -1.427 238 2HE MET 28 2HE MET 28 -12.173 -11.991 -2.224 239 3HE MET 28 3HE MET 28 -12.881 -13.479 -2.853 240 H GLU 29 H GLU 29 -15.125 -5.692 -3.449 241 HA GLU 29 HA GLU 29 -17.736 -4.639 -3.762 242 1HB GLU 29 1HB GLU 29 -15.603 -3.303 -3.871 243 2HB GLU 29 2HB GLU 29 -15.309 -3.993 -5.464 244 1HG GLU 29 1HG GLU 29 -17.321 -2.960 -6.323 245 2HG GLU 29 2HG GLU 29 -17.733 -2.359 -4.719 246 H ASN 30 H ASN 30 -15.579 -6.365 -5.988 247 HA ASN 30 HA ASN 30 -17.882 -7.054 -7.690 248 1HB ASN 30 1HB ASN 30 -14.894 -7.151 -8.130 249 2HB ASN 30 2HB ASN 30 -15.980 -8.095 -9.138 250 1HD2 ASN 30 1HD2 ASN 30 -16.792 -4.922 -7.874 251 2HD2 ASN 30 2HD2 ASN 30 -16.758 -4.109 -9.395 252 HA PRO 31 HA PRO 31 -18.343 -10.937 -5.728 253 1HB PRO 31 1HB PRO 31 -19.031 -12.558 -7.849 254 2HB PRO 31 2HB PRO 31 -20.136 -11.420 -7.068 255 1HG PRO 31 1HG PRO 31 -18.507 -11.065 -9.565 256 2HG PRO 31 2HG PRO 31 -20.205 -10.641 -9.271 257 1HD PRO 31 1HD PRO 31 -18.299 -8.771 -9.195 258 2HD PRO 31 2HD PRO 31 -19.642 -8.740 -8.031 259 H ALA 32 H ALA 32 -16.102 -10.703 -8.391 260 HA ALA 32 HA ALA 32 -14.923 -13.292 -8.020 261 1HB ALA 32 1HB ALA 32 -13.174 -12.493 -9.532 262 2HB ALA 32 2HB ALA 32 -13.829 -10.857 -9.434 263 3HB ALA 32 3HB ALA 32 -14.781 -12.145 -10.174 264 H LEU 33 H LEU 33 -13.516 -10.063 -7.588 265 HA LEU 33 HA LEU 33 -12.640 -10.171 -4.998 266 1HB LEU 33 1HB LEU 33 -11.389 -12.238 -6.060 267 2HB LEU 33 2HB LEU 33 -10.325 -11.022 -6.732 268 HG LEU 33 HG LEU 33 -10.834 -11.379 -3.766 269 1HD1 LEU 33 1HD1 LEU 33 -9.706 -13.331 -4.692 270 2HD1 LEU 33 2HD1 LEU 33 -8.616 -12.392 -3.673 271 3HD1 LEU 33 3HD1 LEU 33 -8.488 -12.293 -5.431 272 1HD2 LEU 33 1HD2 LEU 33 -10.151 -9.108 -4.347 273 2HD2 LEU 33 2HD2 LEU 33 -8.763 -9.738 -5.235 274 3HD2 LEU 33 3HD2 LEU 33 -8.863 -9.951 -3.487 275 H TRP 34 H TRP 34 -11.086 -9.648 -8.144 276 HA TRP 34 HA TRP 34 -10.150 -7.022 -7.364 277 1HB TRP 34 1HB TRP 34 -9.864 -8.508 -9.996 278 2HB TRP 34 2HB TRP 34 -8.998 -7.043 -9.533 279 HD1 TRP 34 HD1 TRP 34 -9.251 -10.768 -8.506 280 HE1 TRP 34 HE1 TRP 34 -7.026 -11.452 -7.423 281 HE3 TRP 34 HE3 TRP 34 -6.921 -6.217 -8.479 282 HZ2 TRP 34 HZ2 TRP 34 -4.608 -10.242 -6.659 283 HZ3 TRP 34 HZ3 TRP 34 -4.647 -6.069 -7.550 284 HH2 TRP 34 HH2 TRP 34 -3.516 -8.043 -6.659 285 H GLY 35 H GLY 35 -11.105 -5.157 -7.870 286 1HA GLY 35 1HA GLY 35 -12.402 -4.188 -9.952 287 2HA GLY 35 2HA GLY 35 -13.640 -5.272 -9.329 288 H GLY 36 H GLY 36 -11.312 -3.147 -7.702 289 1HA GLY 36 1HA GLY 36 -12.122 -0.899 -7.059 290 2HA GLY 36 2HA GLY 36 -13.588 -1.695 -6.498 291 H LYS 37 H LYS 37 -13.555 -2.795 -4.525 292 HA LYS 37 HA LYS 37 -11.046 -2.844 -3.041 293 1HB LYS 37 1HB LYS 37 -11.923 -1.630 -1.145 294 2HB LYS 37 2HB LYS 37 -12.083 -0.633 -2.581 295 1HG LYS 37 1HG LYS 37 -14.131 -0.266 -1.663 296 2HG LYS 37 2HG LYS 37 -14.517 -1.699 -2.615 297 1HD LYS 37 1HD LYS 37 -14.121 -3.091 -0.589 298 2HD LYS 37 2HD LYS 37 -13.856 -1.615 0.336 299 1HE LYS 37 1HE LYS 37 -16.150 -0.884 -0.264 300 2HE LYS 37 2HE LYS 37 -16.401 -2.433 -1.070 301 1HZ LYS 37 1HZ LYS 37 -15.915 -1.966 1.817 302 2HZ LYS 37 2HZ LYS 37 -15.889 -3.497 1.112 303 3HZ LYS 37 3HZ LYS 37 -17.315 -2.588 1.100 304 H VAL 38 H VAL 38 -11.071 -4.191 -1.209 305 HA VAL 38 HA VAL 38 -13.457 -5.889 -0.857 306 HB VAL 38 HB VAL 38 -12.060 -7.796 -0.334 307 1HG1 VAL 38 1HG1 VAL 38 -12.633 -7.520 -2.675 308 2HG1 VAL 38 2HG1 VAL 38 -11.030 -8.239 -2.523 309 3HG1 VAL 38 3HG1 VAL 38 -11.195 -6.532 -2.937 310 1HG2 VAL 38 1HG2 VAL 38 -9.698 -5.974 -0.823 311 2HG2 VAL 38 2HG2 VAL 38 -9.594 -7.722 -0.613 312 3HG2 VAL 38 3HG2 VAL 38 -10.171 -6.708 0.709 313 H THR 39 H THR 39 -13.878 -6.506 1.320 314 HA THR 39 HA THR 39 -12.495 -4.804 3.291 315 HB THR 39 HB THR 39 -15.274 -5.974 3.561 316 HG1 THR 39 HG1 THR 39 -15.652 -3.506 3.303 317 1HG2 THR 39 1HG2 THR 39 -13.840 -3.826 5.131 318 2HG2 THR 39 2HG2 THR 39 -14.180 -5.462 5.693 319 3HG2 THR 39 3HG2 THR 39 -15.508 -4.345 5.381 320 H LEU 40 H LEU 40 -11.219 -5.816 4.627 321 HA LEU 40 HA LEU 40 -11.034 -8.625 4.889 322 1HB LEU 40 1HB LEU 40 -9.880 -6.384 6.567 323 2HB LEU 40 2HB LEU 40 -9.491 -8.074 6.802 324 HG LEU 40 HG LEU 40 -7.686 -7.120 5.593 325 1HD1 LEU 40 1HD1 LEU 40 -8.354 -9.331 4.821 326 2HD1 LEU 40 2HD1 LEU 40 -7.671 -8.372 3.509 327 3HD1 LEU 40 3HD1 LEU 40 -9.417 -8.602 3.616 328 1HD2 LEU 40 1HD2 LEU 40 -8.793 -5.092 4.804 329 2HD2 LEU 40 2HD2 LEU 40 -9.683 -6.032 3.607 330 3HD2 LEU 40 3HD2 LEU 40 -7.927 -5.901 3.498 331 H ALA 41 H ALA 41 -11.295 -9.815 6.915 332 HA ALA 41 HA ALA 41 -13.954 -9.828 7.651 333 1HB ALA 41 1HB ALA 41 -12.469 -11.766 7.803 334 2HB ALA 41 2HB ALA 41 -13.355 -11.502 9.305 335 3HB ALA 41 3HB ALA 41 -11.657 -11.034 9.189 336 H ASN 42 H ASN 42 -11.370 -7.996 9.141 337 HA ASN 42 HA ASN 42 -12.968 -7.580 11.563 338 1HB ASN 42 1HB ASN 42 -10.512 -8.151 11.696 339 2HB ASN 42 2HB ASN 42 -10.173 -6.556 11.032 340 1HD2 ASN 42 1HD2 ASN 42 -9.106 -5.858 12.879 341 2HD2 ASN 42 2HD2 ASN 42 -9.920 -5.523 14.365 342 H GLY 43 H GLY 43 -12.857 -6.140 8.622 343 1HA GLY 43 1HA GLY 43 -14.395 -4.273 8.360 344 2HA GLY 43 2HA GLY 43 -13.726 -3.578 9.827 345 H TRP 44 H TRP 44 -10.989 -4.500 8.605 346 HA TRP 44 HA TRP 44 -10.229 -2.026 7.489 347 1HB TRP 44 1HB TRP 44 -8.898 -4.734 7.151 348 2HB TRP 44 2HB TRP 44 -8.156 -3.180 6.787 349 HD1 TRP 44 HD1 TRP 44 -8.375 -1.474 9.227 350 HE1 TRP 44 HE1 TRP 44 -7.445 -2.156 11.528 351 HE3 TRP 44 HE3 TRP 44 -8.208 -6.544 8.565 352 HZ2 TRP 44 HZ2 TRP 44 -6.730 -4.528 12.879 353 HZ3 TRP 44 HZ3 TRP 44 -7.381 -7.949 10.409 354 HH2 TRP 44 HH2 TRP 44 -6.657 -6.959 12.523 355 H GLN 45 H GLN 45 -9.860 -1.426 5.297 356 HA GLN 45 HA GLN 45 -11.000 -3.264 3.284 357 1HB GLN 45 1HB GLN 45 -11.210 -0.246 3.179 358 2HB GLN 45 2HB GLN 45 -11.948 -1.402 2.078 359 1HG GLN 45 1HG GLN 45 -13.292 -2.257 4.010 360 2HG GLN 45 2HG GLN 45 -12.651 -0.922 4.967 361 1HE2 GLN 45 1HE2 GLN 45 -13.195 1.227 4.349 362 2HE2 GLN 45 2HE2 GLN 45 -14.641 1.544 3.456 363 H LEU 46 H LEU 46 -10.003 -3.339 1.306 364 HA LEU 46 HA LEU 46 -7.515 -1.806 0.941 365 1HB LEU 46 1HB LEU 46 -6.970 -4.073 1.760 366 2HB LEU 46 2HB LEU 46 -7.899 -4.773 0.448 367 HG LEU 46 HG LEU 46 -6.292 -3.710 -1.167 368 1HD1 LEU 46 1HD1 LEU 46 -5.442 -1.936 0.264 369 2HD1 LEU 46 2HD1 LEU 46 -4.127 -2.954 -0.319 370 3HD1 LEU 46 3HD1 LEU 46 -4.710 -3.130 1.337 371 1HD2 LEU 46 1HD2 LEU 46 -6.112 -6.062 -0.567 372 2HD2 LEU 46 2HD2 LEU 46 -5.128 -5.646 0.838 373 3HD2 LEU 46 3HD2 LEU 46 -4.512 -5.352 -0.789 374 H GLU 47 H GLU 47 -7.153 -1.152 -1.165 375 HA GLU 47 HA GLU 47 -9.435 -1.451 -2.967 376 1HB GLU 47 1HB GLU 47 -8.529 0.814 -2.416 377 2HB GLU 47 2HB GLU 47 -7.029 0.372 -3.220 378 1HG GLU 47 1HG GLU 47 -8.229 0.089 -5.329 379 2HG GLU 47 2HG GLU 47 -9.744 0.502 -4.529 380 H LEU 48 H LEU 48 -9.390 -2.949 -4.495 381 HA LEU 48 HA LEU 48 -6.821 -3.667 -5.751 382 1HB LEU 48 1HB LEU 48 -9.208 -5.472 -5.301 383 2HB LEU 48 2HB LEU 48 -7.785 -5.906 -6.225 384 HG LEU 48 HG LEU 48 -7.578 -6.972 -4.123 385 1HD1 LEU 48 1HD1 LEU 48 -5.855 -4.493 -4.073 386 2HD1 LEU 48 2HD1 LEU 48 -5.504 -5.994 -4.930 387 3HD1 LEU 48 3HD1 LEU 48 -5.558 -5.979 -3.169 388 1HD2 LEU 48 1HD2 LEU 48 -7.754 -5.827 -1.989 389 2HD2 LEU 48 2HD2 LEU 48 -9.241 -5.646 -2.919 390 3HD2 LEU 48 3HD2 LEU 48 -8.103 -4.306 -2.813 391 HA PRO 49 HA PRO 49 -9.140 -1.901 -9.215 392 1HB PRO 49 1HB PRO 49 -6.582 -2.269 -10.646 393 2HB PRO 49 2HB PRO 49 -7.496 -0.786 -10.353 394 1HG PRO 49 1HG PRO 49 -5.167 -1.279 -9.100 395 2HG PRO 49 2HG PRO 49 -6.493 -0.417 -8.296 396 1HD PRO 49 1HD PRO 49 -5.675 -3.298 -8.044 397 2HD PRO 49 2HD PRO 49 -6.140 -2.151 -6.770 398 H ALA 50 H ALA 50 -9.834 -2.746 -11.256 399 HA ALA 50 HA ALA 50 -9.949 -5.602 -11.350 400 1HB ALA 50 1HB ALA 50 -11.838 -4.219 -12.084 401 2HB ALA 50 2HB ALA 50 -11.290 -5.290 -13.375 402 3HB ALA 50 3HB ALA 50 -10.859 -3.579 -13.406 403 H MET 51 H MET 51 -7.607 -5.914 -11.395 404 HA MET 51 HA MET 51 -6.218 -5.254 -13.881 405 1HB MET 51 1HB MET 51 -5.253 -6.647 -11.365 406 2HB MET 51 2HB MET 51 -4.235 -6.240 -12.740 407 1HG MET 51 1HG MET 51 -5.713 -4.252 -11.024 408 2HG MET 51 2HG MET 51 -4.003 -4.655 -10.881 409 1HE MET 51 1HE MET 51 -3.088 -4.949 -13.907 410 2HE MET 51 2HE MET 51 -2.172 -4.048 -12.697 411 3HE MET 51 3HE MET 51 -2.546 -3.305 -14.253 412 H ALA 52 H ALA 52 -6.489 -8.196 -11.908 413 HA ALA 52 HA ALA 52 -7.373 -9.772 -14.158 414 1HB ALA 52 1HB ALA 52 -4.707 -10.374 -12.862 415 2HB ALA 52 2HB ALA 52 -4.942 -9.771 -14.502 416 3HB ALA 52 3HB ALA 52 -5.527 -11.376 -14.061 417 H ALA 53 H ALA 53 -9.110 -10.542 -13.117 418 HA ALA 53 HA ALA 53 -9.237 -11.110 -10.351 419 1HB ALA 53 1HB ALA 53 -11.215 -10.561 -11.705 420 2HB ALA 53 2HB ALA 53 -11.417 -12.078 -10.830 421 3HB ALA 53 3HB ALA 53 -11.051 -12.097 -12.556 422 H ASP 54 H ASP 54 -8.577 -13.073 -13.185 423 HA ASP 54 HA ASP 54 -8.850 -15.609 -12.066 424 1HB ASP 54 1HB ASP 54 -7.307 -16.367 -13.907 425 2HB ASP 54 2HB ASP 54 -8.682 -15.414 -14.446 426 H THR 55 H THR 55 -5.682 -14.085 -12.738 427 HA THR 55 HA THR 55 -3.624 -14.674 -11.863 428 HB THR 55 HB THR 55 -3.584 -13.693 -9.420 429 HG1 THR 55 HG1 THR 55 -5.845 -12.269 -10.181 430 1HG2 THR 55 1HG2 THR 55 -3.508 -11.423 -10.344 431 2HG2 THR 55 2HG2 THR 55 -4.282 -11.993 -11.823 432 3HG2 THR 55 3HG2 THR 55 -2.668 -12.564 -11.396 433 HA PRO 56 HA PRO 56 -4.567 -18.626 -9.718 434 1HB PRO 56 1HB PRO 56 -2.877 -20.176 -11.106 435 2HB PRO 56 2HB PRO 56 -4.406 -19.634 -11.814 436 1HG PRO 56 1HG PRO 56 -1.651 -18.479 -12.171 437 2HG PRO 56 2HG PRO 56 -2.857 -18.880 -13.412 438 1HD PRO 56 1HD PRO 56 -2.514 -16.356 -12.460 439 2HD PRO 56 2HD PRO 56 -4.090 -16.966 -13.007 440 H LEU 57 H LEU 57 -2.282 -16.442 -9.339 441 HA LEU 57 HA LEU 57 -0.771 -18.048 -7.425 442 1HB LEU 57 1HB LEU 57 1.366 -17.234 -8.136 443 2HB LEU 57 2HB LEU 57 0.577 -17.948 -9.526 444 HG LEU 57 HG LEU 57 0.673 -14.964 -9.010 445 1HD1 LEU 57 1HD1 LEU 57 2.455 -16.638 -10.784 446 2HD1 LEU 57 2HD1 LEU 57 2.938 -15.818 -9.299 447 3HD1 LEU 57 3HD1 LEU 57 2.439 -14.876 -10.702 448 1HD2 LEU 57 1HD2 LEU 57 -1.154 -15.618 -10.471 449 2HD2 LEU 57 2HD2 LEU 57 -0.056 -16.569 -11.468 450 3HD2 LEU 57 3HD2 LEU 57 0.102 -14.813 -11.410 451 HA PRO 58 HA PRO 58 -1.371 -14.516 -4.815 452 1HB PRO 58 1HB PRO 58 0.954 -14.536 -3.344 453 2HB PRO 58 2HB PRO 58 -0.409 -15.622 -3.052 454 1HG PRO 58 1HG PRO 58 2.133 -16.135 -4.546 455 2HG PRO 58 2HG PRO 58 1.265 -17.191 -3.417 456 1HD PRO 58 1HD PRO 58 1.104 -17.514 -6.092 457 2HD PRO 58 2HD PRO 58 -0.271 -17.850 -5.020 458 H ILE 59 H ILE 59 -1.354 -12.826 -6.227 459 HA ILE 59 HA ILE 59 1.147 -11.778 -7.283 460 HB ILE 59 HB ILE 59 -0.727 -11.940 -8.816 461 1HG1 ILE 59 1HG1 ILE 59 -0.148 -9.037 -8.138 462 2HG1 ILE 59 2HG1 ILE 59 0.852 -10.073 -9.150 463 1HG2 ILE 59 1HG2 ILE 59 -2.773 -10.633 -8.526 464 2HG2 ILE 59 2HG2 ILE 59 -2.197 -10.071 -6.957 465 3HG2 ILE 59 3HG2 ILE 59 -2.547 -11.782 -7.208 466 1HD1 ILE 59 1HD1 ILE 59 -0.985 -10.253 -10.760 467 2HD1 ILE 59 2HD1 ILE 59 -0.485 -8.581 -10.501 468 3HD1 ILE 59 3HD1 ILE 59 -1.962 -9.186 -9.750 469 H THR 60 H THR 60 1.891 -9.677 -6.923 470 HA THR 60 HA THR 60 0.903 -8.401 -4.453 471 HB THR 60 HB THR 60 3.676 -8.289 -5.676 472 HG1 THR 60 HG1 THR 60 2.555 -10.200 -4.295 473 1HG2 THR 60 1HG2 THR 60 2.635 -7.214 -3.043 474 2HG2 THR 60 2HG2 THR 60 3.151 -6.249 -4.428 475 3HG2 THR 60 3HG2 THR 60 4.326 -7.226 -3.546 476 H VAL 61 H VAL 61 -0.061 -6.486 -4.700 477 HA VAL 61 HA VAL 61 0.561 -4.871 -7.095 478 HB VAL 61 HB VAL 61 -1.821 -4.147 -7.137 479 1HG1 VAL 61 1HG1 VAL 61 -2.712 -6.167 -8.179 480 2HG1 VAL 61 2HG1 VAL 61 -1.420 -7.124 -7.453 481 3HG1 VAL 61 3HG1 VAL 61 -1.036 -5.892 -8.657 482 1HG2 VAL 61 1HG2 VAL 61 -2.215 -6.361 -5.116 483 2HG2 VAL 61 2HG2 VAL 61 -3.503 -5.469 -5.923 484 3HG2 VAL 61 3HG2 VAL 61 -2.411 -4.634 -4.821 485 H GLU 62 H GLU 62 -0.524 -2.631 -6.817 486 HA GLU 62 HA GLU 62 0.765 -1.219 -4.772 487 1HB GLU 62 1HB GLU 62 0.194 -0.201 -6.898 488 2HB GLU 62 2HB GLU 62 -1.518 -0.457 -6.610 489 1HG GLU 62 1HG GLU 62 -1.505 1.170 -4.825 490 2HG GLU 62 2HG GLU 62 0.243 1.356 -4.967 491 H ALA 63 H ALA 63 0.296 -1.455 -2.693 492 HA ALA 63 HA ALA 63 -2.275 -2.201 -1.694 493 1HB ALA 63 1HB ALA 63 -0.176 -2.881 -0.601 494 2HB ALA 63 2HB ALA 63 -1.256 -2.033 0.507 495 3HB ALA 63 3HB ALA 63 0.139 -1.198 -0.180 496 H ARG 64 H ARG 64 -3.941 -0.901 -1.313 497 HA ARG 64 HA ARG 64 -3.443 1.789 -0.261 498 1HB ARG 64 1HB ARG 64 -3.899 2.045 -2.662 499 2HB ARG 64 2HB ARG 64 -5.393 1.136 -2.488 500 1HG ARG 64 1HG ARG 64 -6.429 2.870 -1.261 501 2HG ARG 64 2HG ARG 64 -4.894 3.706 -1.004 502 1HD ARG 64 1HD ARG 64 -6.254 3.316 -3.677 503 2HD ARG 64 2HD ARG 64 -6.264 4.805 -2.730 504 HE ARG 64 HE ARG 64 -3.829 4.888 -3.034 505 1HH1 ARG 64 1HH1 ARG 64 -5.696 2.917 -5.266 506 2HH1 ARG 64 2HH1 ARG 64 -4.464 2.935 -6.490 507 1HH2 ARG 64 1HH2 ARG 64 -2.230 4.917 -4.653 508 2HH2 ARG 64 2HH2 ARG 64 -2.485 4.039 -6.130 509 H LYS 65 H LYS 65 -4.151 1.482 1.755 510 HA LYS 65 HA LYS 65 -6.468 -0.152 2.335 511 1HB LYS 65 1HB LYS 65 -4.453 -0.135 3.799 512 2HB LYS 65 2HB LYS 65 -4.753 1.551 4.178 513 1HG LYS 65 1HG LYS 65 -6.795 -0.575 4.781 514 2HG LYS 65 2HG LYS 65 -5.462 -0.238 5.884 515 1HD LYS 65 1HD LYS 65 -6.196 2.094 6.063 516 2HD LYS 65 2HD LYS 65 -7.512 1.774 4.936 517 1HE LYS 65 1HE LYS 65 -8.383 0.077 6.556 518 2HE LYS 65 2HE LYS 65 -7.152 0.617 7.699 519 1HZ LYS 65 1HZ LYS 65 -8.113 2.801 7.704 520 2HZ LYS 65 2HZ LYS 65 -9.335 1.681 8.038 521 3HZ LYS 65 3HZ LYS 65 -9.220 2.375 6.500 522 H LEU 66 H LEU 66 -8.488 0.564 2.629 523 HA LEU 66 HA LEU 66 -8.976 3.456 2.430 524 1HB LEU 66 1HB LEU 66 -10.867 1.151 1.913 525 2HB LEU 66 2HB LEU 66 -11.213 2.850 1.638 526 HG LEU 66 HG LEU 66 -9.145 1.209 0.152 527 1HD1 LEU 66 1HD1 LEU 66 -11.815 2.283 -0.748 528 2HD1 LEU 66 2HD1 LEU 66 -11.419 0.590 -0.447 529 3HD1 LEU 66 3HD1 LEU 66 -10.635 1.457 -1.768 530 1HD2 LEU 66 1HD2 LEU 66 -8.919 3.171 -1.296 531 2HD2 LEU 66 2HD2 LEU 66 -8.448 3.534 0.363 532 3HD2 LEU 66 3HD2 LEU 66 -10.012 4.076 -0.247 Start of MODEL 15 1 H MET 1 H MET 1 3.309 1.119 0.417 2 HA MET 1 HA MET 1 0.369 1.260 0.088 3 1HB MET 1 1HB MET 1 0.833 2.400 -2.036 4 2HB MET 1 2HB MET 1 1.472 3.313 -0.676 5 1HG MET 1 1HG MET 1 3.716 2.485 -1.160 6 2HG MET 1 2HG MET 1 3.081 1.542 -2.508 7 1HE MET 1 1HE MET 1 5.079 4.375 -4.336 8 2HE MET 1 2HE MET 1 4.856 2.636 -4.148 9 3HE MET 1 3HE MET 1 5.517 3.589 -2.819 10 H LYS 2 H LYS 2 2.269 -1.075 0.420 11 HA LYS 2 HA LYS 2 1.692 -2.390 -2.158 12 1HB LYS 2 1HB LYS 2 4.167 -1.826 -1.592 13 2HB LYS 2 2HB LYS 2 4.042 -3.125 -0.416 14 1HG LYS 2 1HG LYS 2 5.050 -3.871 -2.518 15 2HG LYS 2 2HG LYS 2 3.535 -4.716 -2.181 16 1HD LYS 2 1HD LYS 2 2.360 -3.487 -3.818 17 2HD LYS 2 2HD LYS 2 3.626 -2.263 -3.928 18 1HE LYS 2 1HE LYS 2 4.001 -5.142 -4.754 19 2HE LYS 2 2HE LYS 2 3.513 -3.860 -5.863 20 1HZ LYS 2 1HZ LYS 2 5.886 -4.225 -5.961 21 2HZ LYS 2 2HZ LYS 2 6.043 -3.936 -4.304 22 3HZ LYS 2 3HZ LYS 2 5.569 -2.685 -5.338 23 H VAL 3 H VAL 3 0.891 -4.491 -2.047 24 HA VAL 3 HA VAL 3 0.595 -5.771 0.563 25 HB VAL 3 HB VAL 3 -1.393 -4.309 0.360 26 1HG1 VAL 3 1HG1 VAL 3 -1.558 -4.227 -2.079 27 2HG1 VAL 3 2HG1 VAL 3 -3.086 -4.728 -1.357 28 3HG1 VAL 3 3HG1 VAL 3 -2.035 -5.926 -2.114 29 1HG2 VAL 3 1HG2 VAL 3 -2.028 -7.256 0.111 30 2HG2 VAL 3 2HG2 VAL 3 -3.101 -6.026 0.776 31 3HG2 VAL 3 3HG2 VAL 3 -1.586 -6.408 1.594 32 H MET 4 H MET 4 0.262 -8.001 0.436 33 HA MET 4 HA MET 4 0.408 -9.167 -2.272 34 1HB MET 4 1HB MET 4 2.369 -9.649 -0.841 35 2HB MET 4 2HB MET 4 1.308 -10.362 0.367 36 1HG MET 4 1HG MET 4 0.649 -12.094 -1.232 37 2HG MET 4 2HG MET 4 1.710 -11.379 -2.444 38 1HE MET 4 1HE MET 4 1.867 -14.450 -1.685 39 2HE MET 4 2HE MET 4 3.611 -14.677 -1.559 40 3HE MET 4 3HE MET 4 2.942 -13.680 -2.851 41 H ILE 5 H ILE 5 -1.488 -9.946 -2.919 42 HA ILE 5 HA ILE 5 -3.501 -10.724 -0.947 43 HB ILE 5 HB ILE 5 -3.752 -10.511 -3.960 44 1HG1 ILE 5 1HG1 ILE 5 -3.254 -8.326 -2.935 45 2HG1 ILE 5 2HG1 ILE 5 -4.903 -8.377 -3.549 46 1HG2 ILE 5 1HG2 ILE 5 -6.179 -10.526 -3.533 47 2HG2 ILE 5 2HG2 ILE 5 -5.868 -10.800 -1.819 48 3HG2 ILE 5 3HG2 ILE 5 -5.403 -12.019 -3.005 49 1HD1 ILE 5 1HD1 ILE 5 -4.791 -7.251 -1.407 50 2HD1 ILE 5 2HD1 ILE 5 -4.075 -8.683 -0.669 51 3HD1 ILE 5 3HD1 ILE 5 -5.731 -8.738 -1.278 52 H ARG 6 H ARG 6 -3.983 -12.779 -0.514 53 HA ARG 6 HA ARG 6 -2.607 -14.897 -2.000 54 1HB ARG 6 1HB ARG 6 -4.027 -14.941 0.678 55 2HB ARG 6 2HB ARG 6 -3.232 -16.327 -0.058 56 1HG ARG 6 1HG ARG 6 -1.083 -15.185 0.063 57 2HG ARG 6 2HG ARG 6 -1.866 -13.758 0.746 58 1HD ARG 6 1HD ARG 6 -0.785 -15.143 2.472 59 2HD ARG 6 2HD ARG 6 -2.529 -15.023 2.711 60 HE ARG 6 HE ARG 6 -1.816 -17.340 1.198 61 1HH1 ARG 6 1HH1 ARG 6 -1.878 -16.082 4.464 62 2HH1 ARG 6 2HH1 ARG 6 -2.140 -17.637 5.185 63 1HH2 ARG 6 1HH2 ARG 6 -2.111 -19.388 2.159 64 2HH2 ARG 6 2HH2 ARG 6 -2.233 -19.512 3.888 65 H LYS 7 H LYS 7 -3.683 -15.996 -3.476 66 HA LYS 7 HA LYS 7 -6.624 -16.148 -3.303 67 1HB LYS 7 1HB LYS 7 -4.823 -15.435 -5.568 68 2HB LYS 7 2HB LYS 7 -6.233 -16.407 -5.952 69 1HG LYS 7 1HG LYS 7 -6.299 -13.737 -4.547 70 2HG LYS 7 2HG LYS 7 -6.616 -13.997 -6.264 71 1HD LYS 7 1HD LYS 7 -8.218 -15.076 -3.935 72 2HD LYS 7 2HD LYS 7 -8.720 -13.833 -5.082 73 1HE LYS 7 1HE LYS 7 -8.142 -16.723 -5.766 74 2HE LYS 7 2HE LYS 7 -9.745 -16.021 -5.569 75 1HZ LYS 7 1HZ LYS 7 -9.063 -16.208 -7.900 76 2HZ LYS 7 2HZ LYS 7 -7.763 -15.165 -7.613 77 3HZ LYS 7 3HZ LYS 7 -9.353 -14.605 -7.452 78 H THR 8 H THR 8 -7.370 -18.134 -3.080 79 HA THR 8 HA THR 8 -6.180 -20.267 -4.717 80 HB THR 8 HB THR 8 -6.748 -21.928 -2.925 81 HG1 THR 8 HG1 THR 8 -7.276 -19.542 -1.486 82 1HG2 THR 8 1HG2 THR 8 -4.805 -21.478 -1.496 83 2HG2 THR 8 2HG2 THR 8 -4.738 -19.823 -2.100 84 3HG2 THR 8 3HG2 THR 8 -4.432 -21.173 -3.193 85 H ALA 9 H ALA 9 -7.895 -22.191 -4.696 86 HA ALA 9 HA ALA 9 -10.172 -21.238 -6.026 87 1HB ALA 9 1HB ALA 9 -10.942 -23.559 -6.014 88 2HB ALA 9 2HB ALA 9 -9.729 -23.964 -4.799 89 3HB ALA 9 3HB ALA 9 -9.227 -23.466 -6.413 90 H THR 10 H THR 10 -9.628 -22.094 -2.673 91 HA THR 10 HA THR 10 -12.458 -21.521 -2.063 92 HB THR 10 HB THR 10 -12.024 -22.766 0.082 93 HG1 THR 10 HG1 THR 10 -10.039 -23.347 0.508 94 1HG2 THR 10 1HG2 THR 10 -13.124 -23.875 -1.808 95 2HG2 THR 10 2HG2 THR 10 -12.088 -25.003 -0.935 96 3HG2 THR 10 3HG2 THR 10 -11.553 -24.323 -2.471 97 H GLY 11 H GLY 11 -9.187 -21.170 -0.661 98 1HA GLY 11 1HA GLY 11 -10.117 -19.299 1.314 99 2HA GLY 11 2HA GLY 11 -8.460 -19.811 1.053 100 H HIS 12 H HIS 12 -10.004 -17.167 1.361 101 HA HIS 12 HA HIS 12 -8.436 -15.746 -0.699 102 1HB HIS 12 1HB HIS 12 -11.090 -14.794 0.429 103 2HB HIS 12 2HB HIS 12 -10.157 -14.048 -0.864 104 HD1 HIS 12 HD1 HIS 12 -12.807 -16.465 -0.227 105 HD2 HIS 12 HD2 HIS 12 -10.155 -15.628 -3.322 106 HE1 HIS 12 HE1 HIS 12 -13.726 -17.656 -2.242 107 HE2 HIS 12 HE2 HIS 12 -12.022 -17.268 -4.055 108 H SER 13 H SER 13 -6.885 -14.572 0.266 109 HA SER 13 HA SER 13 -7.399 -13.376 2.889 110 1HB SER 13 1HB SER 13 -6.370 -15.627 3.272 111 2HB SER 13 2HB SER 13 -4.972 -15.112 2.331 112 HG SER 13 HG SER 13 -5.887 -13.708 4.620 113 H ALA 14 H ALA 14 -5.692 -11.812 3.488 114 HA ALA 14 HA ALA 14 -4.121 -10.793 1.234 115 1HB ALA 14 1HB ALA 14 -4.923 -8.529 1.533 116 2HB ALA 14 2HB ALA 14 -5.964 -9.036 2.862 117 3HB ALA 14 3HB ALA 14 -6.296 -9.592 1.223 118 H TYR 15 H TYR 15 -2.182 -10.030 1.833 119 HA TYR 15 HA TYR 15 -1.633 -9.712 4.713 120 1HB TYR 15 1HB TYR 15 -0.511 -11.699 3.927 121 2HB TYR 15 2HB TYR 15 0.125 -10.848 2.522 122 HD1 TYR 15 HD1 TYR 15 2.281 -9.959 2.609 123 HD2 TYR 15 HD2 TYR 15 0.253 -10.791 6.263 124 HE1 TYR 15 HE1 TYR 15 4.315 -9.387 3.863 125 HE2 TYR 15 HE2 TYR 15 2.287 -10.224 7.522 126 HH TYR 15 HH TYR 15 4.664 -10.049 7.217 127 H VAL 16 H VAL 16 -1.556 -7.588 5.063 128 HA VAL 16 HA VAL 16 -0.561 -5.692 3.147 129 HB VAL 16 HB VAL 16 -1.072 -5.252 6.105 130 1HG1 VAL 16 1HG1 VAL 16 0.251 -3.485 5.078 131 2HG1 VAL 16 2HG1 VAL 16 -1.369 -2.898 5.453 132 3HG1 VAL 16 3HG1 VAL 16 -0.944 -3.309 3.792 133 1HG2 VAL 16 1HG2 VAL 16 -2.983 -4.933 3.783 134 2HG2 VAL 16 2HG2 VAL 16 -3.302 -4.447 5.449 135 3HG2 VAL 16 3HG2 VAL 16 -3.080 -6.151 5.056 136 H ALA 17 H ALA 17 1.536 -5.724 2.680 137 HA ALA 17 HA ALA 17 3.520 -7.081 3.962 138 1HB ALA 17 1HB ALA 17 3.681 -6.265 1.669 139 2HB ALA 17 2HB ALA 17 5.111 -5.826 2.606 140 3HB ALA 17 3HB ALA 17 3.875 -4.615 2.262 141 H LYS 18 H LYS 18 3.415 -3.499 4.022 142 HA LYS 18 HA LYS 18 5.529 -3.370 5.889 143 1HB LYS 18 1HB LYS 18 5.179 -0.970 5.881 144 2HB LYS 18 2HB LYS 18 5.078 -1.604 4.249 145 1HG LYS 18 1HG LYS 18 3.297 -0.200 4.182 146 2HG LYS 18 2HG LYS 18 2.475 -1.626 4.815 147 1HD LYS 18 1HD LYS 18 2.653 -0.766 7.081 148 2HD LYS 18 2HD LYS 18 3.605 0.606 6.516 149 1HE LYS 18 1HE LYS 18 1.649 1.332 5.155 150 2HE LYS 18 2HE LYS 18 0.710 0.024 5.874 151 1HZ LYS 18 1HZ LYS 18 1.978 2.263 7.362 152 2HZ LYS 18 2HZ LYS 18 1.072 1.014 8.048 153 3HZ LYS 18 3HZ LYS 18 0.330 2.121 7.015 154 H LYS 19 H LYS 19 2.268 -4.029 6.400 155 HA LYS 19 HA LYS 19 2.275 -2.973 9.144 156 1HB LYS 19 1HB LYS 19 0.301 -2.381 7.886 157 2HB LYS 19 2HB LYS 19 0.058 -4.045 7.380 158 1HG LYS 19 1HG LYS 19 -1.556 -3.572 9.050 159 2HG LYS 19 2HG LYS 19 -0.357 -4.638 9.775 160 1HD LYS 19 1HD LYS 19 -0.828 -2.986 11.400 161 2HD LYS 19 2HD LYS 19 0.739 -2.550 10.718 162 1HE LYS 19 1HE LYS 19 -0.288 -0.851 9.336 163 2HE LYS 19 2HE LYS 19 -1.898 -1.351 9.854 164 1HZ LYS 19 1HZ LYS 19 -1.306 -0.696 12.119 165 2HZ LYS 19 2HZ LYS 19 -1.209 0.603 11.049 166 3HZ LYS 19 3HZ LYS 19 0.204 -0.159 11.581 167 H ASP 20 H ASP 20 2.674 -5.873 7.356 168 HA ASP 20 HA ASP 20 2.864 -8.070 7.879 169 1HB ASP 20 1HB ASP 20 3.498 -6.798 10.532 170 2HB ASP 20 2HB ASP 20 3.383 -8.549 10.405 171 H LEU 21 H LEU 21 0.256 -6.791 7.900 172 HA LEU 21 HA LEU 21 -1.224 -8.407 9.864 173 1HB LEU 21 1HB LEU 21 -1.671 -5.953 9.734 174 2HB LEU 21 2HB LEU 21 -2.215 -6.161 8.085 175 HG LEU 21 HG LEU 21 -3.573 -7.556 10.403 176 1HD1 LEU 21 1HD1 LEU 21 -3.614 -5.158 10.853 177 2HD1 LEU 21 2HD1 LEU 21 -5.217 -5.744 10.408 178 3HD1 LEU 21 3HD1 LEU 21 -4.247 -4.853 9.234 179 1HD2 LEU 21 1HD2 LEU 21 -4.509 -6.840 7.616 180 2HD2 LEU 21 2HD2 LEU 21 -5.500 -7.595 8.864 181 3HD2 LEU 21 3HD2 LEU 21 -4.113 -8.454 8.204 182 H GLU 22 H GLU 22 -1.953 -10.307 9.168 183 HA GLU 22 HA GLU 22 -2.917 -10.495 6.385 184 1HB GLU 22 1HB GLU 22 -1.010 -12.017 6.814 185 2HB GLU 22 2HB GLU 22 -1.907 -12.755 8.136 186 1HG GLU 22 1HG GLU 22 -3.660 -13.427 6.513 187 2HG GLU 22 2HG GLU 22 -2.660 -12.782 5.215 188 H GLU 23 H GLU 23 -5.009 -11.010 6.106 189 HA GLU 23 HA GLU 23 -6.539 -12.168 8.301 190 1HB GLU 23 1HB GLU 23 -6.544 -9.635 8.546 191 2HB GLU 23 2HB GLU 23 -7.414 -9.568 7.023 192 1HG GLU 23 1HG GLU 23 -8.891 -9.375 8.958 193 2HG GLU 23 2HG GLU 23 -9.267 -10.779 7.964 194 H LEU 24 H LEU 24 -8.823 -12.647 7.587 195 HA LEU 24 HA LEU 24 -8.743 -13.831 4.960 196 1HB LEU 24 1HB LEU 24 -9.603 -15.360 6.410 197 2HB LEU 24 2HB LEU 24 -10.218 -14.138 7.504 198 HG LEU 24 HG LEU 24 -12.061 -13.742 5.862 199 1HD1 LEU 24 1HD1 LEU 24 -12.576 -15.543 4.272 200 2HD1 LEU 24 2HD1 LEU 24 -11.058 -16.339 4.687 201 3HD1 LEU 24 3HD1 LEU 24 -11.041 -14.764 3.893 202 1HD2 LEU 24 1HD2 LEU 24 -12.383 -14.981 7.930 203 2HD2 LEU 24 2HD2 LEU 24 -11.881 -16.472 7.133 204 3HD2 LEU 24 3HD2 LEU 24 -13.368 -15.663 6.634 205 H ILE 25 H ILE 25 -10.044 -13.280 3.276 206 HA ILE 25 HA ILE 25 -11.270 -10.662 3.252 207 HB ILE 25 HB ILE 25 -11.024 -12.819 1.144 208 1HG1 ILE 25 1HG1 ILE 25 -9.651 -10.129 1.436 209 2HG1 ILE 25 2HG1 ILE 25 -8.923 -11.687 1.810 210 1HG2 ILE 25 1HG2 ILE 25 -12.176 -10.041 0.861 211 2HG2 ILE 25 2HG2 ILE 25 -13.048 -11.565 0.695 212 3HG2 ILE 25 3HG2 ILE 25 -11.806 -11.129 -0.478 213 1HD1 ILE 25 1HD1 ILE 25 -8.167 -10.873 -0.335 214 2HD1 ILE 25 2HD1 ILE 25 -9.831 -10.758 -0.905 215 3HD1 ILE 25 3HD1 ILE 25 -9.130 -12.335 -0.542 216 H VAL 26 H VAL 26 -13.272 -10.355 4.021 217 HA VAL 26 HA VAL 26 -15.191 -12.593 3.926 218 HB VAL 26 HB VAL 26 -16.406 -11.450 5.736 219 1HG1 VAL 26 1HG1 VAL 26 -14.714 -13.114 6.303 220 2HG1 VAL 26 2HG1 VAL 26 -14.768 -11.839 7.521 221 3HG1 VAL 26 3HG1 VAL 26 -13.470 -11.861 6.327 222 1HG2 VAL 26 1HG2 VAL 26 -15.817 -9.135 5.220 223 2HG2 VAL 26 2HG2 VAL 26 -14.137 -9.448 5.658 224 3HG2 VAL 26 3HG2 VAL 26 -15.398 -9.522 6.890 225 H GLU 27 H GLU 27 -14.661 -9.321 2.871 226 HA GLU 27 HA GLU 27 -17.231 -9.367 1.448 227 1HB GLU 27 1HB GLU 27 -17.517 -8.081 3.560 228 2HB GLU 27 2HB GLU 27 -16.204 -7.020 3.080 229 1HG GLU 27 1HG GLU 27 -18.636 -7.317 1.350 230 2HG GLU 27 2HG GLU 27 -18.655 -6.256 2.755 231 H MET 28 H MET 28 -17.056 -8.632 -0.624 232 HA MET 28 HA MET 28 -14.710 -7.078 -1.401 233 1HB MET 28 1HB MET 28 -14.421 -8.686 -3.402 234 2HB MET 28 2HB MET 28 -13.787 -9.179 -1.840 235 1HG MET 28 1HG MET 28 -14.878 -11.026 -2.975 236 2HG MET 28 2HG MET 28 -15.712 -10.615 -1.479 237 1HE MET 28 1HE MET 28 -17.770 -12.124 -2.341 238 2HE MET 28 2HE MET 28 -16.920 -12.454 -3.852 239 3HE MET 28 3HE MET 28 -18.582 -11.865 -3.884 240 H GLU 29 H GLU 29 -14.944 -5.894 -3.276 241 HA GLU 29 HA GLU 29 -17.573 -5.050 -3.912 242 1HB GLU 29 1HB GLU 29 -15.466 -3.653 -4.004 243 2HB GLU 29 2HB GLU 29 -15.024 -4.512 -5.469 244 1HG GLU 29 1HG GLU 29 -17.543 -2.882 -5.166 245 2HG GLU 29 2HG GLU 29 -16.032 -2.250 -5.810 246 H ASN 30 H ASN 30 -15.101 -6.492 -6.029 247 HA ASN 30 HA ASN 30 -17.023 -7.123 -8.056 248 1HB ASN 30 1HB ASN 30 -14.648 -6.511 -8.548 249 2HB ASN 30 2HB ASN 30 -14.139 -8.027 -7.813 250 1HD2 ASN 30 1HD2 ASN 30 -15.713 -6.546 -10.535 251 2HD2 ASN 30 2HD2 ASN 30 -15.675 -7.933 -11.568 252 HA PRO 31 HA PRO 31 -18.595 -11.031 -6.629 253 1HB PRO 31 1HB PRO 31 -18.467 -12.314 -9.151 254 2HB PRO 31 2HB PRO 31 -19.847 -11.446 -8.476 255 1HG PRO 31 1HG PRO 31 -17.736 -10.483 -10.364 256 2HG PRO 31 2HG PRO 31 -19.472 -10.103 -10.329 257 1HD PRO 31 1HD PRO 31 -17.702 -8.328 -9.462 258 2HD PRO 31 2HD PRO 31 -19.209 -8.583 -8.551 259 H ALA 32 H ALA 32 -15.647 -10.867 -8.539 260 HA ALA 32 HA ALA 32 -14.702 -13.411 -7.441 261 1HB ALA 32 1HB ALA 32 -14.165 -13.025 -9.769 262 2HB ALA 32 2HB ALA 32 -12.680 -12.985 -8.813 263 3HB ALA 32 3HB ALA 32 -13.409 -11.480 -9.372 264 H LEU 33 H LEU 33 -13.301 -10.151 -7.776 265 HA LEU 33 HA LEU 33 -12.782 -9.585 -5.120 266 1HB LEU 33 1HB LEU 33 -11.438 -11.715 -5.263 267 2HB LEU 33 2HB LEU 33 -10.406 -10.921 -6.433 268 HG LEU 33 HG LEU 33 -9.748 -9.250 -4.743 269 1HD1 LEU 33 1HD1 LEU 33 -10.344 -9.572 -2.394 270 2HD1 LEU 33 2HD1 LEU 33 -11.410 -10.904 -2.840 271 3HD1 LEU 33 3HD1 LEU 33 -11.771 -9.264 -3.381 272 1HD2 LEU 33 1HD2 LEU 33 -8.372 -10.731 -3.363 273 2HD2 LEU 33 2HD2 LEU 33 -8.385 -11.253 -5.047 274 3HD2 LEU 33 3HD2 LEU 33 -9.358 -12.111 -3.851 275 H TRP 34 H TRP 34 -10.810 -9.703 -8.068 276 HA TRP 34 HA TRP 34 -9.664 -7.130 -7.572 277 1HB TRP 34 1HB TRP 34 -9.469 -8.879 -10.040 278 2HB TRP 34 2HB TRP 34 -8.405 -7.539 -9.620 279 HD1 TRP 34 HD1 TRP 34 -9.141 -11.182 -8.676 280 HE1 TRP 34 HE1 TRP 34 -7.191 -12.072 -7.244 281 HE3 TRP 34 HE3 TRP 34 -6.565 -6.819 -8.028 282 HZ2 TRP 34 HZ2 TRP 34 -4.871 -11.050 -6.014 283 HZ3 TRP 34 HZ3 TRP 34 -4.490 -6.862 -6.716 284 HH2 TRP 34 HH2 TRP 34 -3.662 -8.932 -5.729 285 H GLY 35 H GLY 35 -10.153 -5.195 -8.456 286 1HA GLY 35 1HA GLY 35 -11.089 -4.142 -10.581 287 2HA GLY 35 2HA GLY 35 -12.523 -5.096 -10.222 288 H GLY 36 H GLY 36 -11.686 -4.496 -7.253 289 1HA GLY 36 1HA GLY 36 -12.113 -1.691 -6.956 290 2HA GLY 36 2HA GLY 36 -13.591 -2.600 -6.663 291 H LYS 37 H LYS 37 -13.699 -2.075 -4.510 292 HA LYS 37 HA LYS 37 -11.386 -2.422 -2.812 293 1HB LYS 37 1HB LYS 37 -12.988 -1.530 -1.019 294 2HB LYS 37 2HB LYS 37 -12.508 -0.446 -2.312 295 1HG LYS 37 1HG LYS 37 -14.782 -0.046 -2.066 296 2HG LYS 37 2HG LYS 37 -14.700 -1.115 -3.459 297 1HD LYS 37 1HD LYS 37 -16.518 -1.820 -2.058 298 2HD LYS 37 2HD LYS 37 -15.237 -3.028 -1.944 299 1HE LYS 37 1HE LYS 37 -14.601 -2.296 0.208 300 2HE LYS 37 2HE LYS 37 -15.506 -0.790 0.053 301 1HZ LYS 37 1HZ LYS 37 -16.645 -3.521 0.324 302 2HZ LYS 37 2HZ LYS 37 -17.558 -2.126 0.034 303 3HZ LYS 37 3HZ LYS 37 -16.689 -2.283 1.476 304 H VAL 38 H VAL 38 -11.581 -3.432 -0.698 305 HA VAL 38 HA VAL 38 -13.364 -5.730 -0.513 306 HB VAL 38 HB VAL 38 -11.304 -6.474 -1.777 307 1HG1 VAL 38 1HG1 VAL 38 -9.201 -6.753 -0.540 308 2HG1 VAL 38 2HG1 VAL 38 -9.895 -5.889 0.831 309 3HG1 VAL 38 3HG1 VAL 38 -9.645 -5.055 -0.703 310 1HG2 VAL 38 1HG2 VAL 38 -12.645 -8.078 -0.530 311 2HG2 VAL 38 2HG2 VAL 38 -11.718 -7.739 0.932 312 3HG2 VAL 38 3HG2 VAL 38 -10.934 -8.500 -0.453 313 H THR 39 H THR 39 -13.274 -6.688 1.656 314 HA THR 39 HA THR 39 -12.018 -4.990 3.695 315 HB THR 39 HB THR 39 -14.849 -6.057 3.881 316 HG1 THR 39 HG1 THR 39 -14.990 -4.365 2.514 317 1HG2 THR 39 1HG2 THR 39 -13.727 -5.858 6.059 318 2HG2 THR 39 2HG2 THR 39 -14.992 -4.641 5.888 319 3HG2 THR 39 3HG2 THR 39 -13.299 -4.186 5.692 320 H LEU 40 H LEU 40 -10.915 -6.109 5.125 321 HA LEU 40 HA LEU 40 -10.907 -8.997 5.073 322 1HB LEU 40 1HB LEU 40 -9.321 -6.954 6.640 323 2HB LEU 40 2HB LEU 40 -9.123 -8.680 6.853 324 HG LEU 40 HG LEU 40 -7.354 -7.909 5.448 325 1HD1 LEU 40 1HD1 LEU 40 -7.728 -9.220 3.406 326 2HD1 LEU 40 2HD1 LEU 40 -9.446 -9.312 3.784 327 3HD1 LEU 40 3HD1 LEU 40 -8.265 -10.071 4.851 328 1HD2 LEU 40 1HD2 LEU 40 -7.727 -6.761 3.320 329 2HD2 LEU 40 2HD2 LEU 40 -8.338 -5.815 4.678 330 3HD2 LEU 40 3HD2 LEU 40 -9.461 -6.703 3.646 331 H ALA 41 H ALA 41 -10.925 -10.201 7.182 332 HA ALA 41 HA ALA 41 -13.404 -9.859 8.477 333 1HB ALA 41 1HB ALA 41 -12.238 -12.026 8.263 334 2HB ALA 41 2HB ALA 41 -12.711 -11.682 9.926 335 3HB ALA 41 3HB ALA 41 -11.033 -11.475 9.428 336 H ASN 42 H ASN 42 -10.364 -8.427 9.039 337 HA ASN 42 HA ASN 42 -10.776 -7.799 11.834 338 1HB ASN 42 1HB ASN 42 -8.509 -8.237 10.864 339 2HB ASN 42 2HB ASN 42 -8.668 -6.770 9.906 340 1HD2 ASN 42 1HD2 ASN 42 -6.962 -5.700 10.822 341 2HD2 ASN 42 2HD2 ASN 42 -6.945 -5.161 12.462 342 H GLY 43 H GLY 43 -12.053 -6.634 9.026 343 1HA GLY 43 1HA GLY 43 -13.411 -4.754 8.741 344 2HA GLY 43 2HA GLY 43 -12.736 -4.061 10.209 345 H TRP 44 H TRP 44 -10.183 -5.137 8.477 346 HA TRP 44 HA TRP 44 -9.249 -2.564 7.767 347 1HB TRP 44 1HB TRP 44 -7.760 -4.483 8.326 348 2HB TRP 44 2HB TRP 44 -8.239 -5.271 6.828 349 HD1 TRP 44 HD1 TRP 44 -7.310 -4.168 4.520 350 HE1 TRP 44 HE1 TRP 44 -5.243 -2.708 4.065 351 HE3 TRP 44 HE3 TRP 44 -6.293 -2.687 9.309 352 HZ2 TRP 44 HZ2 TRP 44 -3.416 -1.141 5.538 353 HZ3 TRP 44 HZ3 TRP 44 -4.363 -1.209 9.701 354 HH2 TRP 44 HH2 TRP 44 -2.955 -0.454 7.852 355 H GLN 45 H GLN 45 -9.747 -1.385 6.041 356 HA GLN 45 HA GLN 45 -11.115 -2.674 3.784 357 1HB GLN 45 1HB GLN 45 -10.955 0.237 4.601 358 2HB GLN 45 2HB GLN 45 -11.822 -0.366 3.192 359 1HG GLN 45 1HG GLN 45 -13.317 -1.638 4.622 360 2HG GLN 45 2HG GLN 45 -12.423 -1.114 6.049 361 1HE2 GLN 45 1HE2 GLN 45 -14.625 -0.157 3.534 362 2HE2 GLN 45 2HE2 GLN 45 -15.119 1.332 4.259 363 H LEU 46 H LEU 46 -10.028 -3.031 1.990 364 HA LEU 46 HA LEU 46 -7.754 -1.291 1.286 365 1HB LEU 46 1HB LEU 46 -6.909 -3.396 2.243 366 2HB LEU 46 2HB LEU 46 -7.861 -4.312 1.090 367 HG LEU 46 HG LEU 46 -6.515 -3.320 -0.757 368 1HD1 LEU 46 1HD1 LEU 46 -4.422 -2.164 -0.214 369 2HD1 LEU 46 2HD1 LEU 46 -4.863 -2.168 1.495 370 3HD1 LEU 46 3HD1 LEU 46 -5.830 -1.256 0.335 371 1HD2 LEU 46 1HD2 LEU 46 -4.494 -4.641 -0.331 372 2HD2 LEU 46 2HD2 LEU 46 -5.949 -5.515 0.144 373 3HD2 LEU 46 3HD2 LEU 46 -4.931 -4.764 1.374 374 H GLU 47 H GLU 47 -7.732 -0.669 -0.838 375 HA GLU 47 HA GLU 47 -9.873 -1.745 -2.527 376 1HB GLU 47 1HB GLU 47 -9.793 0.735 -1.999 377 2HB GLU 47 2HB GLU 47 -8.341 0.813 -2.985 378 1HG GLU 47 1HG GLU 47 -9.641 -0.061 -4.902 379 2HG GLU 47 2HG GLU 47 -11.088 -0.020 -3.894 380 H LEU 48 H LEU 48 -9.394 -2.968 -4.201 381 HA LEU 48 HA LEU 48 -6.673 -3.481 -4.940 382 1HB LEU 48 1HB LEU 48 -9.307 -4.459 -6.052 383 2HB LEU 48 2HB LEU 48 -7.757 -4.941 -6.717 384 HG LEU 48 HG LEU 48 -8.474 -6.712 -5.308 385 1HD1 LEU 48 1HD1 LEU 48 -6.734 -6.821 -3.605 386 2HD1 LEU 48 2HD1 LEU 48 -6.447 -5.088 -3.772 387 3HD1 LEU 48 3HD1 LEU 48 -6.103 -6.173 -5.120 388 1HD2 LEU 48 1HD2 LEU 48 -8.913 -4.675 -3.123 389 2HD2 LEU 48 2HD2 LEU 48 -9.099 -6.422 -2.963 390 3HD2 LEU 48 3HD2 LEU 48 -10.171 -5.516 -4.029 391 HA PRO 49 HA PRO 49 -6.537 -0.312 -8.024 392 1HB PRO 49 1HB PRO 49 -4.125 -0.825 -9.074 393 2HB PRO 49 2HB PRO 49 -4.293 -0.283 -7.399 394 1HG PRO 49 1HG PRO 49 -3.868 -3.059 -8.455 395 2HG PRO 49 2HG PRO 49 -3.095 -2.257 -7.073 396 1HD PRO 49 1HD PRO 49 -5.219 -4.001 -6.859 397 2HD PRO 49 2HD PRO 49 -4.839 -2.744 -5.666 398 H ALA 50 H ALA 50 -7.897 -2.882 -8.711 399 HA ALA 50 HA ALA 50 -8.819 -3.910 -10.499 400 1HB ALA 50 1HB ALA 50 -7.698 -1.577 -12.057 401 2HB ALA 50 2HB ALA 50 -9.260 -1.615 -11.238 402 3HB ALA 50 3HB ALA 50 -8.955 -2.689 -12.603 403 H MET 51 H MET 51 -7.853 -5.793 -10.821 404 HA MET 51 HA MET 51 -5.668 -5.945 -12.765 405 1HB MET 51 1HB MET 51 -5.698 -7.390 -10.095 406 2HB MET 51 2HB MET 51 -4.576 -7.736 -11.402 407 1HG MET 51 1HG MET 51 -4.785 -5.136 -9.892 408 2HG MET 51 2HG MET 51 -3.544 -6.371 -9.675 409 1HE MET 51 1HE MET 51 -1.609 -4.593 -10.016 410 2HE MET 51 2HE MET 51 -2.824 -3.325 -10.187 411 3HE MET 51 3HE MET 51 -1.536 -3.479 -11.382 412 H ALA 52 H ALA 52 -5.343 -8.536 -13.096 413 HA ALA 52 HA ALA 52 -7.662 -9.488 -14.344 414 1HB ALA 52 1HB ALA 52 -6.479 -11.630 -14.536 415 2HB ALA 52 2HB ALA 52 -5.269 -11.067 -13.381 416 3HB ALA 52 3HB ALA 52 -5.428 -10.274 -14.950 417 H ALA 53 H ALA 53 -9.473 -10.283 -13.491 418 HA ALA 53 HA ALA 53 -9.840 -10.870 -10.763 419 1HB ALA 53 1HB ALA 53 -11.998 -11.805 -11.427 420 2HB ALA 53 2HB ALA 53 -11.488 -11.811 -13.116 421 3HB ALA 53 3HB ALA 53 -11.692 -10.282 -12.262 422 H ASP 54 H ASP 54 -9.106 -12.869 -13.562 423 HA ASP 54 HA ASP 54 -9.181 -15.364 -12.197 424 1HB ASP 54 1HB ASP 54 -9.394 -15.250 -14.640 425 2HB ASP 54 2HB ASP 54 -7.759 -14.602 -14.765 426 H THR 55 H THR 55 -7.994 -15.308 -10.378 427 HA THR 55 HA THR 55 -5.075 -15.148 -10.686 428 HB THR 55 HB THR 55 -5.159 -14.254 -8.225 429 HG1 THR 55 HG1 THR 55 -7.642 -13.221 -9.169 430 1HG2 THR 55 1HG2 THR 55 -5.899 -12.469 -10.556 431 2HG2 THR 55 2HG2 THR 55 -4.266 -12.963 -10.108 432 3HG2 THR 55 3HG2 THR 55 -5.201 -11.930 -9.028 433 HA PRO 56 HA PRO 56 -5.996 -19.116 -8.586 434 1HB PRO 56 1HB PRO 56 -4.519 -20.696 -10.135 435 2HB PRO 56 2HB PRO 56 -6.058 -20.058 -10.733 436 1HG PRO 56 1HG PRO 56 -3.269 -19.091 -11.282 437 2HG PRO 56 2HG PRO 56 -4.609 -19.333 -12.422 438 1HD PRO 56 1HD PRO 56 -3.920 -16.897 -11.314 439 2HD PRO 56 2HD PRO 56 -5.536 -17.294 -11.935 440 H LEU 57 H LEU 57 -3.661 -16.953 -8.477 441 HA LEU 57 HA LEU 57 -1.973 -18.514 -6.692 442 1HB LEU 57 1HB LEU 57 0.087 -17.528 -7.788 443 2HB LEU 57 2HB LEU 57 -0.732 -18.789 -8.684 444 HG LEU 57 HG LEU 57 -1.859 -16.874 -10.001 445 1HD1 LEU 57 1HD1 LEU 57 0.443 -15.334 -8.802 446 2HD1 LEU 57 2HD1 LEU 57 -1.273 -15.026 -8.536 447 3HD1 LEU 57 3HD1 LEU 57 -0.576 -14.791 -10.137 448 1HD2 LEU 57 1HD2 LEU 57 1.107 -17.350 -10.293 449 2HD2 LEU 57 2HD2 LEU 57 0.031 -16.721 -11.540 450 3HD2 LEU 57 3HD2 LEU 57 -0.178 -18.366 -10.946 451 HA PRO 58 HA PRO 58 -1.974 -14.680 -4.407 452 1HB PRO 58 1HB PRO 58 0.347 -14.892 -3.012 453 2HB PRO 58 2HB PRO 58 -1.078 -15.870 -2.637 454 1HG PRO 58 1HG PRO 58 1.358 -16.609 -4.227 455 2HG PRO 58 2HG PRO 58 0.505 -17.550 -2.988 456 1HD PRO 58 1HD PRO 58 0.149 -17.972 -5.647 457 2HD PRO 58 2HD PRO 58 -1.147 -18.223 -4.459 458 H ILE 59 H ILE 59 -1.540 -12.698 -5.168 459 HA ILE 59 HA ILE 59 1.039 -12.227 -6.526 460 HB ILE 59 HB ILE 59 -0.616 -12.423 -8.251 461 1HG1 ILE 59 1HG1 ILE 59 -0.032 -9.489 -7.741 462 2HG1 ILE 59 2HG1 ILE 59 1.030 -10.624 -8.567 463 1HG2 ILE 59 1HG2 ILE 59 -2.650 -11.065 -8.327 464 2HG2 ILE 59 2HG2 ILE 59 -2.255 -10.384 -6.749 465 3HG2 ILE 59 3HG2 ILE 59 -2.616 -12.104 -6.901 466 1HD1 ILE 59 1HD1 ILE 59 -0.636 -10.876 -10.341 467 2HD1 ILE 59 2HD1 ILE 59 -0.117 -9.202 -10.146 468 3HD1 ILE 59 3HD1 ILE 59 -1.680 -9.717 -9.515 469 H THR 60 H THR 60 2.091 -10.395 -6.022 470 HA THR 60 HA THR 60 1.009 -8.712 -3.904 471 HB THR 60 HB THR 60 3.754 -8.614 -5.190 472 HG1 THR 60 HG1 THR 60 4.077 -10.409 -4.121 473 1HG2 THR 60 1HG2 THR 60 4.410 -7.472 -3.111 474 2HG2 THR 60 2HG2 THR 60 2.743 -7.537 -2.545 475 3HG2 THR 60 3HG2 THR 60 3.155 -6.572 -3.962 476 H VAL 61 H VAL 61 0.027 -6.838 -4.333 477 HA VAL 61 HA VAL 61 0.570 -5.465 -6.889 478 HB VAL 61 HB VAL 61 -1.816 -4.916 -7.091 479 1HG1 VAL 61 1HG1 VAL 61 -1.335 -7.890 -6.839 480 2HG1 VAL 61 2HG1 VAL 61 -0.974 -6.896 -8.250 481 3HG1 VAL 61 3HG1 VAL 61 -2.646 -7.127 -7.740 482 1HG2 VAL 61 1HG2 VAL 61 -3.489 -6.030 -5.669 483 2HG2 VAL 61 2HG2 VAL 61 -2.435 -4.975 -4.729 484 3HG2 VAL 61 3HG2 VAL 61 -2.193 -6.722 -4.692 485 H GLU 62 H GLU 62 -0.575 -3.232 -6.828 486 HA GLU 62 HA GLU 62 0.495 -1.701 -4.683 487 1HB GLU 62 1HB GLU 62 -1.512 -0.841 -6.789 488 2HB GLU 62 2HB GLU 62 -0.483 0.214 -5.824 489 1HG GLU 62 1HG GLU 62 1.502 -0.788 -6.897 490 2HG GLU 62 2HG GLU 62 0.439 -1.767 -7.903 491 H ALA 63 H ALA 63 -0.681 -0.451 -3.122 492 HA ALA 63 HA ALA 63 -3.292 -1.649 -2.422 493 1HB ALA 63 1HB ALA 63 -1.483 -2.445 -0.961 494 2HB ALA 63 2HB ALA 63 -2.666 -1.484 -0.075 495 3HB ALA 63 3HB ALA 63 -1.111 -0.778 -0.519 496 H ARG 64 H ARG 64 -4.891 -0.221 -2.467 497 HA ARG 64 HA ARG 64 -4.348 2.581 -1.687 498 1HB ARG 64 1HB ARG 64 -6.749 1.603 -3.253 499 2HB ARG 64 2HB ARG 64 -6.206 3.260 -3.042 500 1HG ARG 64 1HG ARG 64 -4.777 1.125 -4.625 501 2HG ARG 64 2HG ARG 64 -5.755 2.430 -5.295 502 1HD ARG 64 1HD ARG 64 -4.198 4.080 -4.402 503 2HD ARG 64 2HD ARG 64 -3.240 2.796 -3.660 504 HE ARG 64 HE ARG 64 -3.512 2.362 -6.454 505 1HH1 ARG 64 1HH1 ARG 64 -1.806 4.381 -4.153 506 2HH1 ARG 64 2HH1 ARG 64 -0.436 4.611 -5.187 507 1HH2 ARG 64 1HH2 ARG 64 -1.723 2.680 -7.816 508 2HH2 ARG 64 2HH2 ARG 64 -0.397 3.669 -7.285 509 H LYS 65 H LYS 65 -4.790 2.612 0.502 510 HA LYS 65 HA LYS 65 -6.821 0.867 1.597 511 1HB LYS 65 1HB LYS 65 -4.744 1.272 2.849 512 2HB LYS 65 2HB LYS 65 -5.140 2.984 2.966 513 1HG LYS 65 1HG LYS 65 -7.207 2.356 4.216 514 2HG LYS 65 2HG LYS 65 -6.649 0.683 4.204 515 1HD LYS 65 1HD LYS 65 -4.680 1.295 5.485 516 2HD LYS 65 2HD LYS 65 -5.133 3.001 5.418 517 1HE LYS 65 1HE LYS 65 -6.680 0.788 6.776 518 2HE LYS 65 2HE LYS 65 -5.735 2.043 7.575 519 1HZ LYS 65 1HZ LYS 65 -8.037 2.639 7.631 520 2HZ LYS 65 2HZ LYS 65 -8.199 2.440 5.961 521 3HZ LYS 65 3HZ LYS 65 -7.248 3.698 6.573 522 H LEU 66 H LEU 66 -8.718 1.473 2.631 523 HA LEU 66 HA LEU 66 -9.822 4.064 1.840 524 1HB LEU 66 1HB LEU 66 -11.134 1.631 3.078 525 2HB LEU 66 2HB LEU 66 -11.974 3.123 2.711 526 HG LEU 66 HG LEU 66 -11.404 2.773 0.284 527 1HD1 LEU 66 1HD1 LEU 66 -10.741 0.529 -0.433 528 2HD1 LEU 66 2HD1 LEU 66 -10.508 0.059 1.251 529 3HD1 LEU 66 3HD1 LEU 66 -9.487 1.304 0.531 530 1HD2 LEU 66 1HD2 LEU 66 -13.602 2.195 1.167 531 2HD2 LEU 66 2HD2 LEU 66 -13.013 0.595 1.622 532 3HD2 LEU 66 3HD2 LEU 66 -13.104 1.051 -0.080 Start of MODEL 16 1 H MET 1 H MET 1 3.977 0.876 -2.153 2 HA MET 1 HA MET 1 3.483 0.131 0.061 3 1HB MET 1 1HB MET 1 1.489 1.662 0.317 4 2HB MET 1 2HB MET 1 0.571 0.542 -0.682 5 1HG MET 1 1HG MET 1 1.011 -1.236 0.990 6 2HG MET 1 2HG MET 1 1.810 -0.036 2.005 7 1HE MET 1 1HE MET 1 0.529 2.136 2.972 8 2HE MET 1 2HE MET 1 -1.202 2.410 2.775 9 3HE MET 1 3HE MET 1 -0.128 2.529 1.382 10 H LYS 2 H LYS 2 3.187 -2.093 0.347 11 HA LYS 2 HA LYS 2 2.749 -3.561 -2.176 12 1HB LYS 2 1HB LYS 2 5.050 -3.624 -1.287 13 2HB LYS 2 2HB LYS 2 4.451 -4.263 0.236 14 1HG LYS 2 1HG LYS 2 3.625 -6.268 -1.023 15 2HG LYS 2 2HG LYS 2 4.446 -5.633 -2.451 16 1HD LYS 2 1HD LYS 2 6.585 -5.679 -1.230 17 2HD LYS 2 2HD LYS 2 5.760 -6.335 0.183 18 1HE LYS 2 1HE LYS 2 6.785 -8.171 -0.924 19 2HE LYS 2 2HE LYS 2 5.059 -8.282 -1.260 20 1HZ LYS 2 1HZ LYS 2 5.518 -7.187 -3.423 21 2HZ LYS 2 2HZ LYS 2 6.265 -8.695 -3.261 22 3HZ LYS 2 3HZ LYS 2 7.172 -7.280 -3.088 23 H VAL 3 H VAL 3 1.169 -5.079 -2.252 24 HA VAL 3 HA VAL 3 0.337 -6.393 0.227 25 HB VAL 3 HB VAL 3 -1.272 -4.542 -0.100 26 1HG1 VAL 3 1HG1 VAL 3 -2.849 -4.572 -1.968 27 2HG1 VAL 3 2HG1 VAL 3 -1.985 -5.932 -2.685 28 3HG1 VAL 3 3HG1 VAL 3 -1.192 -4.362 -2.535 29 1HG2 VAL 3 1HG2 VAL 3 -1.981 -6.576 1.024 30 2HG2 VAL 3 2HG2 VAL 3 -2.447 -7.289 -0.522 31 3HG2 VAL 3 3HG2 VAL 3 -3.312 -5.881 0.097 32 H MET 4 H MET 4 0.135 -8.515 -0.031 33 HA MET 4 HA MET 4 0.138 -9.607 -2.768 34 1HB MET 4 1HB MET 4 2.067 -10.272 -1.417 35 2HB MET 4 2HB MET 4 1.005 -10.860 -0.145 36 1HG MET 4 1HG MET 4 0.119 -12.555 -1.706 37 2HG MET 4 2HG MET 4 1.259 -11.994 -2.927 38 1HE MET 4 1HE MET 4 3.896 -12.165 -2.666 39 2HE MET 4 2HE MET 4 4.704 -12.903 -1.283 40 3HE MET 4 3HE MET 4 3.848 -11.372 -1.091 41 H ILE 5 H ILE 5 -1.717 -10.440 -3.468 42 HA ILE 5 HA ILE 5 -3.762 -11.270 -1.528 43 HB ILE 5 HB ILE 5 -3.975 -11.009 -4.545 44 1HG1 ILE 5 1HG1 ILE 5 -3.581 -8.826 -3.479 45 2HG1 ILE 5 2HG1 ILE 5 -5.222 -8.930 -4.103 46 1HG2 ILE 5 1HG2 ILE 5 -6.117 -11.408 -2.448 47 2HG2 ILE 5 2HG2 ILE 5 -5.581 -12.598 -3.634 48 3HG2 ILE 5 3HG2 ILE 5 -6.404 -11.132 -4.166 49 1HD1 ILE 5 1HD1 ILE 5 -5.176 -7.841 -1.945 50 2HD1 ILE 5 2HD1 ILE 5 -4.394 -9.248 -1.226 51 3HD1 ILE 5 3HD1 ILE 5 -6.042 -9.373 -1.841 52 H ARG 6 H ARG 6 -4.014 -13.375 -1.057 53 HA ARG 6 HA ARG 6 -2.558 -15.329 -2.688 54 1HB ARG 6 1HB ARG 6 -3.899 -15.856 -0.029 55 2HB ARG 6 2HB ARG 6 -2.666 -16.821 -0.826 56 1HG ARG 6 1HG ARG 6 -1.167 -14.733 -0.546 57 2HG ARG 6 2HG ARG 6 -2.375 -14.219 0.632 58 1HD ARG 6 1HD ARG 6 -0.573 -16.625 0.704 59 2HD ARG 6 2HD ARG 6 -0.732 -15.333 1.892 60 HE ARG 6 HE ARG 6 -3.007 -17.137 1.443 61 1HH1 ARG 6 1HH1 ARG 6 -0.461 -15.968 3.545 62 2HH1 ARG 6 2HH1 ARG 6 -1.041 -16.828 4.937 63 1HH2 ARG 6 1HH2 ARG 6 -3.750 -18.300 3.242 64 2HH2 ARG 6 2HH2 ARG 6 -2.916 -18.173 4.761 65 H LYS 7 H LYS 7 -3.541 -17.241 -3.412 66 HA LYS 7 HA LYS 7 -6.429 -16.958 -3.876 67 1HB LYS 7 1HB LYS 7 -4.314 -18.448 -5.451 68 2HB LYS 7 2HB LYS 7 -6.033 -18.460 -5.830 69 1HG LYS 7 1HG LYS 7 -4.203 -16.058 -5.861 70 2HG LYS 7 2HG LYS 7 -4.877 -16.893 -7.263 71 1HD LYS 7 1HD LYS 7 -7.167 -16.307 -6.384 72 2HD LYS 7 2HD LYS 7 -6.367 -15.293 -5.177 73 1HE LYS 7 1HE LYS 7 -7.080 -13.955 -7.085 74 2HE LYS 7 2HE LYS 7 -5.319 -13.992 -6.978 75 1HZ LYS 7 1HZ LYS 7 -5.360 -15.788 -8.655 76 2HZ LYS 7 2HZ LYS 7 -5.951 -14.320 -9.236 77 3HZ LYS 7 3HZ LYS 7 -7.026 -15.561 -8.833 78 H THR 8 H THR 8 -7.768 -18.357 -3.010 79 HA THR 8 HA THR 8 -7.081 -21.087 -2.419 80 HB THR 8 HB THR 8 -7.736 -19.220 -0.112 81 HG1 THR 8 HG1 THR 8 -5.301 -20.426 -0.960 82 1HG2 THR 8 1HG2 THR 8 -7.313 -21.181 1.309 83 2HG2 THR 8 2HG2 THR 8 -7.059 -22.170 -0.129 84 3HG2 THR 8 3HG2 THR 8 -8.649 -21.475 0.194 85 H ALA 9 H ALA 9 -8.949 -22.333 -2.184 86 HA ALA 9 HA ALA 9 -11.333 -21.436 -3.292 87 1HB ALA 9 1HB ALA 9 -10.728 -23.806 -3.120 88 2HB ALA 9 2HB ALA 9 -12.335 -23.505 -2.460 89 3HB ALA 9 3HB ALA 9 -10.966 -23.744 -1.373 90 H THR 10 H THR 10 -12.279 -19.680 -2.491 91 HA THR 10 HA THR 10 -13.559 -18.327 -1.248 92 HB THR 10 HB THR 10 -14.922 -19.115 0.576 93 HG1 THR 10 HG1 THR 10 -13.522 -21.593 0.516 94 1HG2 THR 10 1HG2 THR 10 -14.649 -21.242 -1.552 95 2HG2 THR 10 2HG2 THR 10 -15.624 -19.777 -1.661 96 3HG2 THR 10 3HG2 THR 10 -16.040 -21.026 -0.488 97 H GLY 11 H GLY 11 -10.996 -19.985 0.488 98 1HA GLY 11 1HA GLY 11 -10.945 -18.058 2.636 99 2HA GLY 11 2HA GLY 11 -9.813 -19.376 2.379 100 H HIS 12 H HIS 12 -10.770 -16.495 0.511 101 HA HIS 12 HA HIS 12 -8.130 -16.071 -0.487 102 1HB HIS 12 1HB HIS 12 -10.511 -14.189 -0.450 103 2HB HIS 12 2HB HIS 12 -9.043 -13.959 -1.395 104 HD1 HIS 12 HD1 HIS 12 -12.339 -15.547 -1.491 105 HD2 HIS 12 HD2 HIS 12 -8.720 -15.933 -3.504 106 HE1 HIS 12 HE1 HIS 12 -12.862 -16.834 -3.585 107 HE2 HIS 12 HE2 HIS 12 -10.701 -16.877 -4.873 108 H SER 13 H SER 13 -6.482 -15.231 0.607 109 HA SER 13 HA SER 13 -7.055 -13.477 2.911 110 1HB SER 13 1HB SER 13 -5.953 -15.650 3.455 111 2HB SER 13 2HB SER 13 -4.597 -15.193 2.425 112 HG SER 13 HG SER 13 -5.488 -13.686 4.663 113 H ALA 14 H ALA 14 -5.757 -11.641 3.224 114 HA ALA 14 HA ALA 14 -4.163 -10.789 0.889 115 1HB ALA 14 1HB ALA 14 -5.964 -9.038 2.567 116 2HB ALA 14 2HB ALA 14 -6.325 -9.615 0.940 117 3HB ALA 14 3HB ALA 14 -4.973 -8.513 1.205 118 H TYR 15 H TYR 15 -2.177 -10.083 1.333 119 HA TYR 15 HA TYR 15 -1.401 -9.776 4.161 120 1HB TYR 15 1HB TYR 15 -0.370 -11.674 2.896 121 2HB TYR 15 2HB TYR 15 0.343 -10.508 1.790 122 HD1 TYR 15 HD1 TYR 15 2.312 -9.261 2.405 123 HD2 TYR 15 HD2 TYR 15 0.410 -11.809 5.242 124 HE1 TYR 15 HE1 TYR 15 4.280 -9.098 3.867 125 HE2 TYR 15 HE2 TYR 15 2.375 -11.649 6.709 126 HH TYR 15 HH TYR 15 4.792 -9.357 6.317 127 H VAL 16 H VAL 16 -1.497 -7.652 4.575 128 HA VAL 16 HA VAL 16 -0.613 -5.671 2.641 129 HB VAL 16 HB VAL 16 -1.612 -5.225 5.467 130 1HG1 VAL 16 1HG1 VAL 16 -2.109 -2.967 4.693 131 2HG1 VAL 16 2HG1 VAL 16 -1.486 -3.363 3.091 132 3HG1 VAL 16 3HG1 VAL 16 -0.399 -3.341 4.479 133 1HG2 VAL 16 1HG2 VAL 16 -3.818 -4.787 4.466 134 2HG2 VAL 16 2HG2 VAL 16 -3.298 -6.452 4.201 135 3HG2 VAL 16 3HG2 VAL 16 -3.195 -5.277 2.889 136 H ALA 17 H ALA 17 1.539 -5.412 2.492 137 HA ALA 17 HA ALA 17 3.349 -6.366 4.435 138 1HB ALA 17 1HB ALA 17 3.911 -4.540 2.102 139 2HB ALA 17 2HB ALA 17 3.850 -6.302 2.038 140 3HB ALA 17 3HB ALA 17 5.096 -5.497 2.993 141 H LYS 18 H LYS 18 1.929 -3.206 4.004 142 HA LYS 18 HA LYS 18 3.968 -1.686 5.237 143 1HB LYS 18 1HB LYS 18 2.413 0.130 5.305 144 2HB LYS 18 2HB LYS 18 2.126 -0.750 3.815 145 1HG LYS 18 1HG LYS 18 -0.037 -0.531 4.429 146 2HG LYS 18 2HG LYS 18 0.314 -1.959 5.398 147 1HD LYS 18 1HD LYS 18 -0.847 -0.349 6.769 148 2HD LYS 18 2HD LYS 18 0.821 -0.476 7.329 149 1HE LYS 18 1HE LYS 18 1.372 1.565 6.036 150 2HE LYS 18 2HE LYS 18 -0.323 1.704 5.574 151 1HZ LYS 18 1HZ LYS 18 0.179 3.133 7.433 152 2HZ LYS 18 2HZ LYS 18 0.751 1.830 8.340 153 3HZ LYS 18 3HZ LYS 18 -0.890 1.919 7.928 154 H LYS 19 H LYS 19 1.628 -3.805 6.549 155 HA LYS 19 HA LYS 19 2.351 -2.953 9.275 156 1HB LYS 19 1HB LYS 19 0.096 -2.086 8.722 157 2HB LYS 19 2HB LYS 19 -0.434 -3.719 8.343 158 1HG LYS 19 1HG LYS 19 -0.004 -4.365 10.697 159 2HG LYS 19 2HG LYS 19 0.418 -2.687 11.049 160 1HD LYS 19 1HD LYS 19 -1.822 -1.962 10.441 161 2HD LYS 19 2HD LYS 19 -2.255 -3.610 9.976 162 1HE LYS 19 1HE LYS 19 -3.152 -3.127 12.167 163 2HE LYS 19 2HE LYS 19 -1.878 -4.336 12.311 164 1HZ LYS 19 1HZ LYS 19 -1.602 -1.434 12.888 165 2HZ LYS 19 2HZ LYS 19 -0.358 -2.574 13.005 166 3HZ LYS 19 3HZ LYS 19 -1.696 -2.673 14.037 167 H ASP 20 H ASP 20 2.469 -5.353 7.052 168 HA ASP 20 HA ASP 20 2.608 -7.622 7.026 169 1HB ASP 20 1HB ASP 20 3.269 -7.136 9.944 170 2HB ASP 20 2HB ASP 20 3.304 -8.739 9.220 171 H LEU 21 H LEU 21 0.070 -6.344 7.390 172 HA LEU 21 HA LEU 21 -1.430 -7.897 9.323 173 1HB LEU 21 1HB LEU 21 -1.845 -5.443 8.709 174 2HB LEU 21 2HB LEU 21 -2.531 -6.032 7.211 175 HG LEU 21 HG LEU 21 -3.590 -6.741 9.960 176 1HD1 LEU 21 1HD1 LEU 21 -3.850 -4.351 9.513 177 2HD1 LEU 21 2HD1 LEU 21 -5.405 -5.178 9.488 178 3HD1 LEU 21 3HD1 LEU 21 -4.629 -4.716 7.974 179 1HD2 LEU 21 1HD2 LEU 21 -4.160 -8.420 8.308 180 2HD2 LEU 21 2HD2 LEU 21 -4.744 -7.177 7.202 181 3HD2 LEU 21 3HD2 LEU 21 -5.591 -7.477 8.721 182 H GLU 22 H GLU 22 -2.215 -9.827 8.881 183 HA GLU 22 HA GLU 22 -2.834 -10.540 6.083 184 1HB GLU 22 1HB GLU 22 -0.816 -11.718 6.883 185 2HB GLU 22 2HB GLU 22 -1.722 -12.340 8.256 186 1HG GLU 22 1HG GLU 22 -3.233 -13.499 6.633 187 2HG GLU 22 2HG GLU 22 -2.137 -12.998 5.345 188 H GLU 23 H GLU 23 -4.984 -10.659 5.902 189 HA GLU 23 HA GLU 23 -6.520 -11.959 8.047 190 1HB GLU 23 1HB GLU 23 -6.560 -9.365 8.163 191 2HB GLU 23 2HB GLU 23 -7.527 -9.451 6.705 192 1HG GLU 23 1HG GLU 23 -8.863 -9.222 8.771 193 2HG GLU 23 2HG GLU 23 -9.262 -10.651 7.818 194 H LEU 24 H LEU 24 -8.699 -12.577 7.345 195 HA LEU 24 HA LEU 24 -8.691 -13.585 4.626 196 1HB LEU 24 1HB LEU 24 -10.724 -13.886 6.849 197 2HB LEU 24 2HB LEU 24 -10.771 -14.733 5.312 198 HG LEU 24 HG LEU 24 -8.618 -15.041 7.419 199 1HD1 LEU 24 1HD1 LEU 24 -10.817 -16.934 6.579 200 2HD1 LEU 24 2HD1 LEU 24 -10.743 -16.041 8.099 201 3HD1 LEU 24 3HD1 LEU 24 -9.538 -17.278 7.746 202 1HD2 LEU 24 1HD2 LEU 24 -7.801 -16.886 6.022 203 2HD2 LEU 24 2HD2 LEU 24 -7.721 -15.345 5.168 204 3HD2 LEU 24 3HD2 LEU 24 -9.007 -16.494 4.796 205 H ILE 25 H ILE 25 -10.105 -13.002 3.022 206 HA ILE 25 HA ILE 25 -11.307 -10.364 3.259 207 HB ILE 25 HB ILE 25 -11.021 -12.212 0.872 208 1HG1 ILE 25 1HG1 ILE 25 -9.483 -9.704 1.623 209 2HG1 ILE 25 2HG1 ILE 25 -8.874 -11.349 1.765 210 1HG2 ILE 25 1HG2 ILE 25 -11.633 -10.253 -0.487 211 2HG2 ILE 25 2HG2 ILE 25 -11.953 -9.339 0.986 212 3HG2 ILE 25 3HG2 ILE 25 -12.941 -10.745 0.589 213 1HD1 ILE 25 1HD1 ILE 25 -9.026 -11.606 -0.663 214 2HD1 ILE 25 2HD1 ILE 25 -7.987 -10.258 -0.202 215 3HD1 ILE 25 3HD1 ILE 25 -9.619 -9.950 -0.795 216 H VAL 26 H VAL 26 -13.349 -10.170 3.908 217 HA VAL 26 HA VAL 26 -15.202 -12.423 3.505 218 HB VAL 26 HB VAL 26 -16.589 -11.381 5.289 219 1HG1 VAL 26 1HG1 VAL 26 -13.725 -11.957 6.075 220 2HG1 VAL 26 2HG1 VAL 26 -15.002 -13.153 5.839 221 3HG1 VAL 26 3HG1 VAL 26 -15.118 -11.989 7.159 222 1HG2 VAL 26 1HG2 VAL 26 -15.875 -9.053 5.042 223 2HG2 VAL 26 2HG2 VAL 26 -14.254 -9.478 5.588 224 3HG2 VAL 26 3HG2 VAL 26 -15.620 -9.609 6.695 225 H GLU 27 H GLU 27 -15.006 -8.880 3.216 226 HA GLU 27 HA GLU 27 -17.443 -8.938 1.560 227 1HB GLU 27 1HB GLU 27 -17.548 -7.474 3.543 228 2HB GLU 27 2HB GLU 27 -16.133 -6.605 2.969 229 1HG GLU 27 1HG GLU 27 -17.403 -5.927 0.956 230 2HG GLU 27 2HG GLU 27 -18.828 -6.722 1.628 231 H MET 28 H MET 28 -17.423 -8.095 -0.488 232 HA MET 28 HA MET 28 -14.835 -7.162 -1.561 233 1HB MET 28 1HB MET 28 -16.723 -9.110 -2.920 234 2HB MET 28 2HB MET 28 -15.216 -8.498 -3.585 235 1HG MET 28 1HG MET 28 -13.926 -9.711 -2.002 236 2HG MET 28 2HG MET 28 -15.360 -10.127 -1.060 237 1HE MET 28 1HE MET 28 -14.634 -12.693 -1.057 238 2HE MET 28 2HE MET 28 -13.194 -12.286 -1.989 239 3HE MET 28 3HE MET 28 -14.245 -13.597 -2.520 240 H GLU 29 H GLU 29 -14.977 -5.499 -3.031 241 HA GLU 29 HA GLU 29 -17.409 -4.105 -3.474 242 1HB GLU 29 1HB GLU 29 -15.102 -3.107 -3.594 243 2HB GLU 29 2HB GLU 29 -14.843 -3.973 -5.098 244 1HG GLU 29 1HG GLU 29 -17.080 -1.992 -4.747 245 2HG GLU 29 2HG GLU 29 -15.462 -1.509 -5.243 246 H ASN 30 H ASN 30 -15.391 -6.107 -5.599 247 HA ASN 30 HA ASN 30 -17.688 -6.605 -7.359 248 1HB ASN 30 1HB ASN 30 -15.481 -5.864 -8.337 249 2HB ASN 30 2HB ASN 30 -14.791 -7.381 -7.780 250 1HD2 ASN 30 1HD2 ASN 30 -14.262 -8.053 -9.834 251 2HD2 ASN 30 2HD2 ASN 30 -15.449 -8.557 -10.989 252 HA PRO 31 HA PRO 31 -18.641 -10.391 -5.252 253 1HB PRO 31 1HB PRO 31 -19.381 -11.784 -7.600 254 2HB PRO 31 2HB PRO 31 -20.446 -10.832 -6.560 255 1HG PRO 31 1HG PRO 31 -19.009 -10.014 -9.061 256 2HG PRO 31 2HG PRO 31 -20.662 -9.617 -8.536 257 1HD PRO 31 1HD PRO 31 -18.762 -7.809 -8.316 258 2HD PRO 31 2HD PRO 31 -19.873 -8.046 -6.952 259 H ALA 32 H ALA 32 -16.465 -10.359 -8.011 260 HA ALA 32 HA ALA 32 -15.520 -13.035 -7.706 261 1HB ALA 32 1HB ALA 32 -15.270 -11.901 -9.833 262 2HB ALA 32 2HB ALA 32 -13.677 -12.316 -9.189 263 3HB ALA 32 3HB ALA 32 -14.267 -10.657 -9.083 264 H LEU 33 H LEU 33 -13.755 -9.989 -7.231 265 HA LEU 33 HA LEU 33 -12.762 -10.341 -4.687 266 1HB LEU 33 1HB LEU 33 -11.819 -12.468 -5.726 267 2HB LEU 33 2HB LEU 33 -10.820 -11.444 -6.734 268 HG LEU 33 HG LEU 33 -9.709 -10.534 -4.730 269 1HD1 LEU 33 1HD1 LEU 33 -11.522 -10.770 -3.125 270 2HD1 LEU 33 2HD1 LEU 33 -10.068 -11.577 -2.543 271 3HD1 LEU 33 3HD1 LEU 33 -11.393 -12.528 -3.213 272 1HD2 LEU 33 1HD2 LEU 33 -8.727 -12.454 -5.874 273 2HD2 LEU 33 2HD2 LEU 33 -9.682 -13.553 -4.879 274 3HD2 LEU 33 3HD2 LEU 33 -8.440 -12.545 -4.136 275 H TRP 34 H TRP 34 -11.381 -9.770 -7.901 276 HA TRP 34 HA TRP 34 -10.166 -7.273 -7.007 277 1HB TRP 34 1HB TRP 34 -9.955 -8.729 -9.661 278 2HB TRP 34 2HB TRP 34 -9.019 -7.313 -9.190 279 HD1 TRP 34 HD1 TRP 34 -9.514 -10.985 -8.037 280 HE1 TRP 34 HE1 TRP 34 -7.290 -11.817 -7.056 281 HE3 TRP 34 HE3 TRP 34 -6.810 -6.660 -8.368 282 HZ2 TRP 34 HZ2 TRP 34 -4.728 -10.788 -6.501 283 HZ3 TRP 34 HZ3 TRP 34 -4.476 -6.669 -7.588 284 HH2 TRP 34 HH2 TRP 34 -3.458 -8.691 -6.674 285 H GLY 35 H GLY 35 -10.419 -5.328 -8.265 286 1HA GLY 35 1HA GLY 35 -11.753 -4.377 -10.217 287 2HA GLY 35 2HA GLY 35 -13.138 -5.077 -9.386 288 H GLY 36 H GLY 36 -12.296 -4.540 -6.762 289 1HA GLY 36 1HA GLY 36 -11.861 -1.686 -6.528 290 2HA GLY 36 2HA GLY 36 -13.461 -2.246 -6.048 291 H LYS 37 H LYS 37 -13.167 -1.715 -3.894 292 HA LYS 37 HA LYS 37 -10.886 -2.632 -2.419 293 1HB LYS 37 1HB LYS 37 -11.938 -1.595 -0.489 294 2HB LYS 37 2HB LYS 37 -12.005 -0.511 -1.865 295 1HG LYS 37 1HG LYS 37 -14.113 -0.240 -1.007 296 2HG LYS 37 2HG LYS 37 -14.411 -1.526 -2.176 297 1HD LYS 37 1HD LYS 37 -14.247 -3.194 -0.367 298 2HD LYS 37 2HD LYS 37 -13.950 -1.901 0.794 299 1HE LYS 37 1HE LYS 37 -16.455 -2.204 -0.870 300 2HE LYS 37 2HE LYS 37 -16.287 -2.706 0.811 301 1HZ LYS 37 1HZ LYS 37 -16.071 0.076 -0.213 302 2HZ LYS 37 2HZ LYS 37 -15.826 -0.386 1.394 303 3HZ LYS 37 3HZ LYS 37 -17.350 -0.564 0.691 304 H VAL 38 H VAL 38 -10.791 -4.203 -0.856 305 HA VAL 38 HA VAL 38 -13.185 -5.874 -0.442 306 HB VAL 38 HB VAL 38 -11.726 -7.812 -0.039 307 1HG1 VAL 38 1HG1 VAL 38 -12.642 -7.523 -2.268 308 2HG1 VAL 38 2HG1 VAL 38 -11.032 -8.234 -2.362 309 3HG1 VAL 38 3HG1 VAL 38 -11.263 -6.526 -2.731 310 1HG2 VAL 38 1HG2 VAL 38 -9.711 -6.700 0.717 311 2HG2 VAL 38 2HG2 VAL 38 -9.472 -5.980 -0.874 312 3HG2 VAL 38 3HG2 VAL 38 -9.331 -7.727 -0.669 313 H THR 39 H THR 39 -13.669 -6.337 1.678 314 HA THR 39 HA THR 39 -12.120 -4.823 3.661 315 HB THR 39 HB THR 39 -14.884 -6.003 4.009 316 HG1 THR 39 HG1 THR 39 -15.584 -4.339 2.910 317 1HG2 THR 39 1HG2 THR 39 -15.034 -4.405 5.877 318 2HG2 THR 39 2HG2 THR 39 -13.372 -3.899 5.575 319 3HG2 THR 39 3HG2 THR 39 -13.710 -5.546 6.112 320 H LEU 40 H LEU 40 -10.699 -5.930 4.768 321 HA LEU 40 HA LEU 40 -10.637 -8.732 5.099 322 1HB LEU 40 1HB LEU 40 -9.323 -6.572 6.765 323 2HB LEU 40 2HB LEU 40 -8.899 -8.273 6.788 324 HG LEU 40 HG LEU 40 -8.568 -6.402 4.449 325 1HD1 LEU 40 1HD1 LEU 40 -6.958 -5.952 6.185 326 2HD1 LEU 40 2HD1 LEU 40 -6.170 -6.725 4.810 327 3HD1 LEU 40 3HD1 LEU 40 -6.528 -7.661 6.262 328 1HD2 LEU 40 1HD2 LEU 40 -7.446 -8.251 3.333 329 2HD2 LEU 40 2HD2 LEU 40 -9.115 -8.671 3.713 330 3HD2 LEU 40 3HD2 LEU 40 -7.799 -9.306 4.702 331 H ALA 41 H ALA 41 -11.003 -9.964 7.007 332 HA ALA 41 HA ALA 41 -13.477 -9.542 8.212 333 1HB ALA 41 1HB ALA 41 -11.215 -11.263 9.236 334 2HB ALA 41 2HB ALA 41 -12.394 -11.738 8.012 335 3HB ALA 41 3HB ALA 41 -12.920 -11.415 9.665 336 H ASN 42 H ASN 42 -10.369 -8.317 9.114 337 HA ASN 42 HA ASN 42 -11.018 -7.779 11.871 338 1HB ASN 42 1HB ASN 42 -8.688 -8.222 11.010 339 2HB ASN 42 2HB ASN 42 -8.736 -6.644 10.231 340 1HD2 ASN 42 1HD2 ASN 42 -8.663 -4.774 11.521 341 2HD2 ASN 42 2HD2 ASN 42 -8.163 -4.827 13.173 342 H GLY 43 H GLY 43 -11.790 -6.287 8.950 343 1HA GLY 43 1HA GLY 43 -13.121 -4.355 8.715 344 2HA GLY 43 2HA GLY 43 -12.598 -3.822 10.309 345 H TRP 44 H TRP 44 -10.982 -4.716 7.275 346 HA TRP 44 HA TRP 44 -9.606 -2.120 7.235 347 1HB TRP 44 1HB TRP 44 -8.104 -3.792 8.305 348 2HB TRP 44 2HB TRP 44 -8.250 -4.816 6.884 349 HD1 TRP 44 HD1 TRP 44 -7.135 -3.767 4.553 350 HE1 TRP 44 HE1 TRP 44 -5.033 -2.310 4.291 351 HE3 TRP 44 HE3 TRP 44 -6.722 -2.050 9.356 352 HZ2 TRP 44 HZ2 TRP 44 -3.408 -0.658 5.897 353 HZ3 TRP 44 HZ3 TRP 44 -4.859 -0.536 9.910 354 HH2 TRP 44 HH2 TRP 44 -3.238 0.143 8.214 355 H GLN 45 H GLN 45 -10.074 -1.229 5.328 356 HA GLN 45 HA GLN 45 -10.888 -2.933 3.096 357 1HB GLN 45 1HB GLN 45 -11.118 0.045 3.558 358 2HB GLN 45 2HB GLN 45 -11.587 -0.743 2.055 359 1HG GLN 45 1HG GLN 45 -13.244 -2.072 3.259 360 2HG GLN 45 2HG GLN 45 -12.767 -1.305 4.774 361 1HE2 GLN 45 1HE2 GLN 45 -13.409 0.793 5.194 362 2HE2 GLN 45 2HE2 GLN 45 -14.587 1.622 4.235 363 H LEU 46 H LEU 46 -9.507 -3.465 1.586 364 HA LEU 46 HA LEU 46 -7.253 -1.658 0.952 365 1HB LEU 46 1HB LEU 46 -6.906 -4.083 1.951 366 2HB LEU 46 2HB LEU 46 -7.244 -4.599 0.313 367 HG LEU 46 HG LEU 46 -4.833 -4.477 0.770 368 1HD1 LEU 46 1HD1 LEU 46 -5.716 -2.373 -1.207 369 2HD1 LEU 46 2HD1 LEU 46 -5.624 -4.108 -1.519 370 3HD1 LEU 46 3HD1 LEU 46 -4.155 -3.195 -1.177 371 1HD2 LEU 46 1HD2 LEU 46 -3.729 -2.357 1.172 372 2HD2 LEU 46 2HD2 LEU 46 -4.920 -2.664 2.433 373 3HD2 LEU 46 3HD2 LEU 46 -5.276 -1.514 1.144 374 H GLU 47 H GLU 47 -7.271 -0.846 -1.095 375 HA GLU 47 HA GLU 47 -9.454 -1.646 -2.835 376 1HB GLU 47 1HB GLU 47 -8.856 0.772 -2.374 377 2HB GLU 47 2HB GLU 47 -7.416 0.525 -3.347 378 1HG GLU 47 1HG GLU 47 -8.739 0.038 -5.296 379 2HG GLU 47 2HG GLU 47 -10.225 0.083 -4.349 380 H LEU 48 H LEU 48 -9.284 -2.917 -4.524 381 HA LEU 48 HA LEU 48 -6.645 -3.669 -5.551 382 1HB LEU 48 1HB LEU 48 -9.393 -4.893 -5.827 383 2HB LEU 48 2HB LEU 48 -8.025 -5.431 -6.790 384 HG LEU 48 HG LEU 48 -8.272 -6.963 -4.973 385 1HD1 LEU 48 1HD1 LEU 48 -5.966 -6.382 -5.533 386 2HD1 LEU 48 2HD1 LEU 48 -6.134 -6.782 -3.826 387 3HD1 LEU 48 3HD1 LEU 48 -5.990 -5.097 -4.324 388 1HD2 LEU 48 1HD2 LEU 48 -8.175 -4.602 -3.095 389 2HD2 LEU 48 2HD2 LEU 48 -8.270 -6.302 -2.634 390 3HD2 LEU 48 3HD2 LEU 48 -9.611 -5.546 -3.492 391 HA PRO 49 HA PRO 49 -7.494 -0.833 -8.912 392 1HB PRO 49 1HB PRO 49 -5.000 -1.784 -10.118 393 2HB PRO 49 2HB PRO 49 -5.368 -0.205 -9.421 394 1HG PRO 49 1HG PRO 49 -3.658 -1.951 -8.250 395 2HG PRO 49 2HG PRO 49 -4.660 -0.824 -7.316 396 1HD PRO 49 1HD PRO 49 -5.112 -3.743 -7.874 397 2HD PRO 49 2HD PRO 49 -5.299 -2.847 -6.349 398 H ALA 50 H ALA 50 -8.718 -3.456 -9.084 399 HA ALA 50 HA ALA 50 -9.668 -4.885 -10.562 400 1HB ALA 50 1HB ALA 50 -10.416 -3.896 -12.657 401 2HB ALA 50 2HB ALA 50 -9.280 -2.564 -12.448 402 3HB ALA 50 3HB ALA 50 -10.620 -2.765 -11.319 403 H MET 51 H MET 51 -7.533 -6.089 -10.331 404 HA MET 51 HA MET 51 -6.182 -6.331 -12.937 405 1HB MET 51 1HB MET 51 -5.374 -7.453 -10.238 406 2HB MET 51 2HB MET 51 -4.460 -7.620 -11.729 407 1HG MET 51 1HG MET 51 -5.051 -5.042 -10.284 408 2HG MET 51 2HG MET 51 -3.508 -5.895 -10.317 409 1HE MET 51 1HE MET 51 -2.827 -2.676 -12.477 410 2HE MET 51 2HE MET 51 -2.306 -3.624 -11.084 411 3HE MET 51 3HE MET 51 -3.864 -2.794 -11.055 412 H ALA 52 H ALA 52 -5.453 -8.773 -13.252 413 HA ALA 52 HA ALA 52 -7.800 -10.197 -13.865 414 1HB ALA 52 1HB ALA 52 -5.718 -10.465 -15.118 415 2HB ALA 52 2HB ALA 52 -6.311 -12.018 -14.531 416 3HB ALA 52 3HB ALA 52 -4.963 -11.222 -13.716 417 H ALA 53 H ALA 53 -9.110 -11.236 -12.525 418 HA ALA 53 HA ALA 53 -8.344 -11.988 -9.866 419 1HB ALA 53 1HB ALA 53 -10.628 -12.848 -9.674 420 2HB ALA 53 2HB ALA 53 -10.862 -12.634 -11.411 421 3HB ALA 53 3HB ALA 53 -10.619 -11.227 -10.374 422 H ASP 54 H ASP 54 -8.514 -13.545 -12.952 423 HA ASP 54 HA ASP 54 -8.460 -16.241 -11.908 424 1HB ASP 54 1HB ASP 54 -8.372 -15.060 -14.680 425 2HB ASP 54 2HB ASP 54 -8.074 -16.774 -14.415 426 H THR 55 H THR 55 -6.187 -14.142 -11.568 427 HA THR 55 HA THR 55 -3.857 -15.168 -12.719 428 HB THR 55 HB THR 55 -2.837 -14.238 -10.451 429 HG1 THR 55 HG1 THR 55 -4.915 -12.514 -10.233 430 1HG2 THR 55 1HG2 THR 55 -4.221 -12.445 -12.460 431 2HG2 THR 55 2HG2 THR 55 -2.608 -13.140 -12.638 432 3HG2 THR 55 3HG2 THR 55 -2.926 -11.960 -11.364 433 HA PRO 56 HA PRO 56 -4.105 -19.160 -10.699 434 1HB PRO 56 1HB PRO 56 -2.035 -20.353 -11.941 435 2HB PRO 56 2HB PRO 56 -3.533 -19.963 -12.798 436 1HG PRO 56 1HG PRO 56 -0.944 -18.435 -12.729 437 2HG PRO 56 2HG PRO 56 -1.944 -18.867 -14.132 438 1HD PRO 56 1HD PRO 56 -2.048 -16.417 -12.966 439 2HD PRO 56 2HD PRO 56 -3.465 -17.168 -13.729 440 H LEU 57 H LEU 57 -2.092 -16.799 -9.832 441 HA LEU 57 HA LEU 57 -0.752 -18.425 -7.824 442 1HB LEU 57 1HB LEU 57 1.394 -17.109 -8.257 443 2HB LEU 57 2HB LEU 57 0.990 -18.375 -9.397 444 HG LEU 57 HG LEU 57 0.059 -16.569 -10.918 445 1HD1 LEU 57 1HD1 LEU 57 -0.231 -14.777 -9.306 446 2HD1 LEU 57 2HD1 LEU 57 0.876 -14.282 -10.586 447 3HD1 LEU 57 3HD1 LEU 57 1.507 -14.741 -9.003 448 1HD2 LEU 57 1HD2 LEU 57 2.211 -17.630 -11.319 449 2HD2 LEU 57 2HD2 LEU 57 3.000 -16.472 -10.248 450 3HD2 LEU 57 3HD2 LEU 57 2.264 -15.921 -11.754 451 HA PRO 58 HA PRO 58 -1.663 -14.949 -5.192 452 1HB PRO 58 1HB PRO 58 0.503 -14.890 -3.523 453 2HB PRO 58 2HB PRO 58 -0.787 -16.092 -3.391 454 1HG PRO 58 1HG PRO 58 1.905 -16.338 -4.687 455 2HG PRO 58 2HG PRO 58 1.052 -17.497 -3.649 456 1HD PRO 58 1HD PRO 58 1.107 -17.745 -6.342 457 2HD PRO 58 2HD PRO 58 -0.297 -18.245 -5.377 458 H ILE 59 H ILE 59 -1.595 -13.219 -6.562 459 HA ILE 59 HA ILE 59 0.953 -12.135 -7.455 460 HB ILE 59 HB ILE 59 -0.755 -12.289 -9.140 461 1HG1 ILE 59 1HG1 ILE 59 -0.380 -9.394 -8.309 462 2HG1 ILE 59 2HG1 ILE 59 0.728 -10.337 -9.299 463 1HG2 ILE 59 1HG2 ILE 59 -2.718 -12.297 -7.712 464 2HG2 ILE 59 2HG2 ILE 59 -2.890 -11.101 -8.996 465 3HG2 ILE 59 3HG2 ILE 59 -2.491 -10.584 -7.358 466 1HD1 ILE 59 1HD1 ILE 59 -0.605 -8.823 -10.645 467 2HD1 ILE 59 2HD1 ILE 59 -2.086 -9.568 -10.045 468 3HD1 ILE 59 3HD1 ILE 59 -0.970 -10.502 -11.043 469 H THR 60 H THR 60 1.772 -10.176 -6.904 470 HA THR 60 HA THR 60 0.554 -8.833 -4.585 471 HB THR 60 HB THR 60 3.435 -8.801 -5.530 472 HG1 THR 60 HG1 THR 60 3.457 -10.655 -4.514 473 1HG2 THR 60 1HG2 THR 60 2.174 -7.694 -3.014 474 2HG2 THR 60 2HG2 THR 60 2.834 -6.745 -4.347 475 3HG2 THR 60 3HG2 THR 60 3.903 -7.743 -3.360 476 H VAL 61 H VAL 61 -0.176 -6.816 -4.828 477 HA VAL 61 HA VAL 61 0.697 -5.237 -7.167 478 HB VAL 61 HB VAL 61 -1.594 -4.346 -7.391 479 1HG1 VAL 61 1HG1 VAL 61 -0.928 -6.221 -8.796 480 2HG1 VAL 61 2HG1 VAL 61 -2.638 -6.336 -8.382 481 3HG1 VAL 61 3HG1 VAL 61 -1.461 -7.360 -7.559 482 1HG2 VAL 61 1HG2 VAL 61 -3.475 -5.449 -6.233 483 2HG2 VAL 61 2HG2 VAL 61 -2.381 -4.647 -5.104 484 3HG2 VAL 61 3HG2 VAL 61 -2.323 -6.401 -5.292 485 H GLU 62 H GLU 62 -0.159 -2.860 -6.837 486 HA GLU 62 HA GLU 62 1.000 -1.858 -4.427 487 1HB GLU 62 1HB GLU 62 1.063 -0.613 -6.575 488 2HB GLU 62 2HB GLU 62 -0.682 -0.405 -6.489 489 1HG GLU 62 1HG GLU 62 -0.344 0.808 -4.321 490 2HG GLU 62 2HG GLU 62 1.390 0.743 -4.624 491 H ALA 63 H ALA 63 0.044 -1.374 -2.554 492 HA ALA 63 HA ALA 63 -2.774 -1.996 -2.202 493 1HB ALA 63 1HB ALA 63 -2.298 -1.819 0.178 494 2HB ALA 63 2HB ALA 63 -0.689 -1.195 -0.171 495 3HB ALA 63 3HB ALA 63 -1.106 -2.847 -0.610 496 H ARG 64 H ARG 64 -4.329 -0.559 -1.479 497 HA ARG 64 HA ARG 64 -3.575 2.206 -0.951 498 1HB ARG 64 1HB ARG 64 -4.081 2.041 -3.397 499 2HB ARG 64 2HB ARG 64 -5.704 1.509 -2.990 500 1HG ARG 64 1HG ARG 64 -6.348 3.599 -2.232 501 2HG ARG 64 2HG ARG 64 -4.691 4.102 -1.892 502 1HD ARG 64 1HD ARG 64 -5.666 5.250 -3.858 503 2HD ARG 64 2HD ARG 64 -4.220 4.322 -4.249 504 HE ARG 64 HE ARG 64 -6.936 3.284 -4.763 505 1HH1 ARG 64 1HH1 ARG 64 -3.682 3.995 -5.859 506 2HH1 ARG 64 2HH1 ARG 64 -3.903 3.233 -7.403 507 1HH2 ARG 64 1HH2 ARG 64 -7.239 2.321 -6.791 508 2HH2 ARG 64 2HH2 ARG 64 -5.940 2.307 -7.947 509 H LYS 65 H LYS 65 -4.430 2.651 0.926 510 HA LYS 65 HA LYS 65 -6.533 1.027 2.056 511 1HB LYS 65 1HB LYS 65 -4.635 1.584 3.434 512 2HB LYS 65 2HB LYS 65 -4.853 3.299 3.135 513 1HG LYS 65 1HG LYS 65 -5.570 2.735 5.371 514 2HG LYS 65 2HG LYS 65 -6.951 3.255 4.406 515 1HD LYS 65 1HD LYS 65 -7.715 0.997 4.154 516 2HD LYS 65 2HD LYS 65 -6.230 0.356 4.861 517 1HE LYS 65 1HE LYS 65 -8.106 0.299 6.449 518 2HE LYS 65 2HE LYS 65 -6.797 1.336 7.012 519 1HZ LYS 65 1HZ LYS 65 -8.943 2.368 7.369 520 2HZ LYS 65 2HZ LYS 65 -9.313 2.257 5.723 521 3HZ LYS 65 3HZ LYS 65 -8.057 3.262 6.240 522 H LEU 66 H LEU 66 -8.613 1.581 2.395 523 HA LEU 66 HA LEU 66 -9.510 4.269 1.632 524 1HB LEU 66 1HB LEU 66 -11.128 1.792 2.295 525 2HB LEU 66 2HB LEU 66 -11.800 3.341 1.825 526 HG LEU 66 HG LEU 66 -10.494 3.063 -0.367 527 1HD1 LEU 66 1HD1 LEU 66 -10.346 0.229 0.658 528 2HD1 LEU 66 2HD1 LEU 66 -8.993 1.292 0.271 529 3HD1 LEU 66 3HD1 LEU 66 -10.057 0.716 -1.011 530 1HD2 LEU 66 1HD2 LEU 66 -12.265 1.679 -1.346 531 2HD2 LEU 66 2HD2 LEU 66 -12.915 2.874 -0.224 532 3HD2 LEU 66 3HD2 LEU 66 -12.773 1.186 0.270 Start of MODEL 17 1 H MET 1 H MET 1 6.112 -0.016 -1.409 2 HA MET 1 HA MET 1 3.468 0.312 -0.124 3 1HB MET 1 1HB MET 1 4.105 2.180 -1.635 4 2HB MET 1 2HB MET 1 4.401 1.025 -2.924 5 1HG MET 1 1HG MET 1 2.031 0.395 -2.894 6 2HG MET 1 2HG MET 1 1.741 1.574 -1.613 7 1HE MET 1 1HE MET 1 -0.177 2.769 -3.041 8 2HE MET 1 2HE MET 1 0.058 1.550 -4.294 9 3HE MET 1 3HE MET 1 0.036 3.262 -4.720 10 H LYS 2 H LYS 2 3.534 -1.998 0.290 11 HA LYS 2 HA LYS 2 3.185 -3.623 -2.145 12 1HB LYS 2 1HB LYS 2 5.432 -4.026 -1.170 13 2HB LYS 2 2HB LYS 2 4.679 -4.477 0.354 14 1HG LYS 2 1HG LYS 2 3.551 -6.353 -0.779 15 2HG LYS 2 2HG LYS 2 4.356 -5.909 -2.281 16 1HD LYS 2 1HD LYS 2 5.585 -7.716 -1.324 17 2HD LYS 2 2HD LYS 2 6.552 -6.259 -1.110 18 1HE LYS 2 1HE LYS 2 5.911 -6.105 1.203 19 2HE LYS 2 2HE LYS 2 4.748 -7.418 1.016 20 1HZ LYS 2 1HZ LYS 2 7.695 -7.664 0.740 21 2HZ LYS 2 2HZ LYS 2 6.583 -8.927 0.564 22 3HZ LYS 2 3HZ LYS 2 6.783 -8.177 2.069 23 H VAL 3 H VAL 3 1.361 -4.764 -2.175 24 HA VAL 3 HA VAL 3 0.379 -5.904 0.338 25 HB VAL 3 HB VAL 3 -1.061 -3.949 -0.134 26 1HG1 VAL 3 1HG1 VAL 3 -0.868 -3.875 -2.566 27 2HG1 VAL 3 2HG1 VAL 3 -2.556 -3.909 -2.060 28 3HG1 VAL 3 3HG1 VAL 3 -1.797 -5.369 -2.694 29 1HG2 VAL 3 1HG2 VAL 3 -2.004 -5.860 1.039 30 2HG2 VAL 3 2HG2 VAL 3 -2.449 -6.609 -0.495 31 3HG2 VAL 3 3HG2 VAL 3 -3.223 -5.107 0.011 32 H MET 4 H MET 4 0.250 -8.025 0.142 33 HA MET 4 HA MET 4 0.344 -9.182 -2.567 34 1HB MET 4 1HB MET 4 2.331 -9.541 -1.118 35 2HB MET 4 2HB MET 4 1.309 -10.355 0.056 36 1HG MET 4 1HG MET 4 0.828 -12.116 -1.543 37 2HG MET 4 2HG MET 4 1.777 -11.280 -2.773 38 1HE MET 4 1HE MET 4 4.050 -14.366 -1.951 39 2HE MET 4 2HE MET 4 3.230 -13.458 -3.220 40 3HE MET 4 3HE MET 4 2.289 -14.340 -2.018 41 H ILE 5 H ILE 5 -1.574 -9.940 -3.177 42 HA ILE 5 HA ILE 5 -3.558 -10.750 -1.215 43 HB ILE 5 HB ILE 5 -3.738 -10.732 -4.243 44 1HG1 ILE 5 1HG1 ILE 5 -3.335 -8.475 -3.356 45 2HG1 ILE 5 2HG1 ILE 5 -4.974 -8.617 -3.980 46 1HG2 ILE 5 1HG2 ILE 5 -5.905 -10.948 -2.145 47 2HG2 ILE 5 2HG2 ILE 5 -5.368 -12.229 -3.232 48 3HG2 ILE 5 3HG2 ILE 5 -6.171 -10.801 -3.883 49 1HD1 ILE 5 1HD1 ILE 5 -4.932 -7.356 -1.916 50 2HD1 ILE 5 2HD1 ILE 5 -4.165 -8.706 -1.080 51 3HD1 ILE 5 3HD1 ILE 5 -5.811 -8.869 -1.691 52 H ARG 6 H ARG 6 -3.981 -12.805 -0.655 53 HA ARG 6 HA ARG 6 -2.545 -14.959 -2.029 54 1HB ARG 6 1HB ARG 6 -3.959 -14.877 0.648 55 2HB ARG 6 2HB ARG 6 -3.253 -16.333 -0.039 56 1HG ARG 6 1HG ARG 6 -1.042 -15.224 -0.044 57 2HG ARG 6 2HG ARG 6 -1.773 -13.818 0.735 58 1HD ARG 6 1HD ARG 6 -0.643 -15.332 2.340 59 2HD ARG 6 2HD ARG 6 -2.367 -15.150 2.671 60 HE ARG 6 HE ARG 6 -1.818 -17.413 1.009 61 1HH1 ARG 6 1HH1 ARG 6 -1.703 -16.349 4.347 62 2HH1 ARG 6 2HH1 ARG 6 -2.030 -17.928 4.987 63 1HH2 ARG 6 1HH2 ARG 6 -2.217 -19.488 1.857 64 2HH2 ARG 6 2HH2 ARG 6 -2.318 -19.709 3.576 65 H LYS 7 H LYS 7 -3.559 -16.518 -3.153 66 HA LYS 7 HA LYS 7 -6.499 -16.327 -3.367 67 1HB LYS 7 1HB LYS 7 -4.483 -16.768 -5.586 68 2HB LYS 7 2HB LYS 7 -6.227 -16.861 -5.785 69 1HG LYS 7 1HG LYS 7 -4.668 -14.404 -4.979 70 2HG LYS 7 2HG LYS 7 -5.341 -14.729 -6.577 71 1HD LYS 7 1HD LYS 7 -6.886 -14.334 -4.009 72 2HD LYS 7 2HD LYS 7 -6.791 -13.211 -5.366 73 1HE LYS 7 1HE LYS 7 -8.031 -15.969 -5.414 74 2HE LYS 7 2HE LYS 7 -8.904 -14.439 -5.389 75 1HZ LYS 7 1HZ LYS 7 -7.829 -13.912 -7.538 76 2HZ LYS 7 2HZ LYS 7 -8.851 -15.252 -7.610 77 3HZ LYS 7 3HZ LYS 7 -7.176 -15.468 -7.572 78 H THR 8 H THR 8 -7.437 -18.136 -2.735 79 HA THR 8 HA THR 8 -6.285 -20.711 -3.564 80 HB THR 8 HB THR 8 -7.048 -21.735 -1.433 81 HG1 THR 8 HG1 THR 8 -7.789 -19.062 -0.893 82 1HG2 THR 8 1HG2 THR 8 -5.282 -20.851 0.023 83 2HG2 THR 8 2HG2 THR 8 -5.114 -19.443 -1.026 84 3HG2 THR 8 3HG2 THR 8 -4.703 -21.048 -1.631 85 H ALA 9 H ALA 9 -8.003 -22.461 -3.494 86 HA ALA 9 HA ALA 9 -10.447 -21.479 -4.688 87 1HB ALA 9 1HB ALA 9 -9.355 -23.483 -5.579 88 2HB ALA 9 2HB ALA 9 -10.983 -23.852 -5.012 89 3HB ALA 9 3HB ALA 9 -9.585 -24.305 -4.035 90 H THR 10 H THR 10 -9.350 -22.530 -1.594 91 HA THR 10 HA THR 10 -11.910 -23.211 -0.508 92 HB THR 10 HB THR 10 -9.391 -22.507 1.021 93 HG1 THR 10 HG1 THR 10 -8.636 -24.213 0.004 94 1HG2 THR 10 1HG2 THR 10 -11.417 -22.657 2.401 95 2HG2 THR 10 2HG2 THR 10 -10.332 -24.009 2.729 96 3HG2 THR 10 3HG2 THR 10 -11.765 -24.251 1.729 97 H GLY 11 H GLY 11 -9.965 -20.280 -0.692 98 1HA GLY 11 1HA GLY 11 -12.179 -18.602 -0.150 99 2HA GLY 11 2HA GLY 11 -11.197 -18.756 1.299 100 H HIS 12 H HIS 12 -11.094 -16.384 0.890 101 HA HIS 12 HA HIS 12 -8.845 -15.733 -0.914 102 1HB HIS 12 1HB HIS 12 -11.140 -13.919 -0.108 103 2HB HIS 12 2HB HIS 12 -9.819 -13.500 -1.192 104 HD1 HIS 12 HD1 HIS 12 -13.193 -14.866 -1.162 105 HD2 HIS 12 HD2 HIS 12 -9.896 -15.023 -3.694 106 HE1 HIS 12 HE1 HIS 12 -14.075 -15.665 -3.377 107 HE2 HIS 12 HE2 HIS 12 -12.054 -15.830 -4.868 108 H SER 13 H SER 13 -7.202 -14.483 -0.055 109 HA SER 13 HA SER 13 -7.505 -13.406 2.653 110 1HB SER 13 1HB SER 13 -5.186 -15.205 1.874 111 2HB SER 13 2HB SER 13 -5.479 -14.478 3.454 112 HG SER 13 HG SER 13 -7.629 -15.741 3.111 113 H ALA 14 H ALA 14 -5.776 -11.864 3.194 114 HA ALA 14 HA ALA 14 -4.205 -10.919 0.900 115 1HB ALA 14 1HB ALA 14 -5.904 -9.059 2.565 116 2HB ALA 14 2HB ALA 14 -6.343 -9.638 0.958 117 3HB ALA 14 3HB ALA 14 -4.907 -8.634 1.172 118 H TYR 15 H TYR 15 -2.239 -10.150 1.426 119 HA TYR 15 HA TYR 15 -1.560 -9.941 4.287 120 1HB TYR 15 1HB TYR 15 -0.377 -11.737 3.014 121 2HB TYR 15 2HB TYR 15 0.293 -10.506 1.950 122 HD1 TYR 15 HD1 TYR 15 2.197 -9.203 2.623 123 HD2 TYR 15 HD2 TYR 15 0.309 -11.814 5.410 124 HE1 TYR 15 HE1 TYR 15 4.094 -8.925 4.164 125 HE2 TYR 15 HE2 TYR 15 2.200 -11.541 6.955 126 HH TYR 15 HH TYR 15 4.550 -9.133 6.592 127 H VAL 16 H VAL 16 -1.760 -7.857 4.779 128 HA VAL 16 HA VAL 16 -0.969 -5.749 2.940 129 HB VAL 16 HB VAL 16 -2.034 -5.517 5.771 130 1HG1 VAL 16 1HG1 VAL 16 -0.906 -3.500 5.017 131 2HG1 VAL 16 2HG1 VAL 16 -2.647 -3.229 5.100 132 3HG1 VAL 16 3HG1 VAL 16 -1.869 -3.487 3.538 133 1HG2 VAL 16 1HG2 VAL 16 -3.629 -6.717 4.367 134 2HG2 VAL 16 2HG2 VAL 16 -3.552 -5.435 3.158 135 3HG2 VAL 16 3HG2 VAL 16 -4.228 -5.103 4.753 136 H ALA 17 H ALA 17 1.254 -5.748 2.822 137 HA ALA 17 HA ALA 17 3.044 -6.295 4.895 138 1HB ALA 17 1HB ALA 17 4.758 -5.311 3.478 139 2HB ALA 17 2HB ALA 17 3.521 -4.545 2.482 140 3HB ALA 17 3HB ALA 17 3.659 -6.303 2.519 141 H LYS 18 H LYS 18 1.335 -3.392 4.106 142 HA LYS 18 HA LYS 18 2.823 -1.425 5.374 143 1HB LYS 18 1HB LYS 18 0.872 -0.952 3.977 144 2HB LYS 18 2HB LYS 18 -0.188 -1.708 5.156 145 1HG LYS 18 1HG LYS 18 -0.340 0.699 5.301 146 2HG LYS 18 2HG LYS 18 0.367 0.043 6.777 147 1HD LYS 18 1HD LYS 18 1.579 2.030 6.127 148 2HD LYS 18 2HD LYS 18 2.620 0.626 5.919 149 1HE LYS 18 1HE LYS 18 2.200 0.630 3.523 150 2HE LYS 18 2HE LYS 18 1.063 1.966 3.699 151 1HZ LYS 18 1HZ LYS 18 3.964 2.091 4.327 152 2HZ LYS 18 2HZ LYS 18 2.868 3.375 4.440 153 3HZ LYS 18 3HZ LYS 18 3.240 2.710 2.931 154 H LYS 19 H LYS 19 0.873 -3.944 6.732 155 HA LYS 19 HA LYS 19 1.636 -3.087 9.443 156 1HB LYS 19 1HB LYS 19 -0.687 -2.467 9.189 157 2HB LYS 19 2HB LYS 19 -1.088 -4.036 8.511 158 1HG LYS 19 1HG LYS 19 -0.697 -5.102 10.654 159 2HG LYS 19 2HG LYS 19 -0.176 -3.567 11.350 160 1HD LYS 19 1HD LYS 19 -2.918 -3.964 10.151 161 2HD LYS 19 2HD LYS 19 -2.564 -4.293 11.849 162 1HE LYS 19 1HE LYS 19 -2.073 -1.635 10.497 163 2HE LYS 19 2HE LYS 19 -3.522 -2.023 11.421 164 1HZ LYS 19 1HZ LYS 19 -0.764 -2.110 12.516 165 2HZ LYS 19 2HZ LYS 19 -2.200 -2.335 13.379 166 3HZ LYS 19 3HZ LYS 19 -1.838 -0.822 12.720 167 H ASP 20 H ASP 20 2.042 -5.319 7.139 168 HA ASP 20 HA ASP 20 2.481 -7.540 6.957 169 1HB ASP 20 1HB ASP 20 3.197 -7.179 9.883 170 2HB ASP 20 2HB ASP 20 3.512 -8.655 8.976 171 H LEU 21 H LEU 21 -0.179 -6.659 7.543 172 HA LEU 21 HA LEU 21 -1.338 -8.533 9.431 173 1HB LEU 21 1HB LEU 21 -2.194 -6.275 9.413 174 2HB LEU 21 2HB LEU 21 -2.520 -6.361 7.693 175 HG LEU 21 HG LEU 21 -4.255 -8.078 8.123 176 1HD1 LEU 21 1HD1 LEU 21 -5.021 -8.469 10.413 177 2HD1 LEU 21 2HD1 LEU 21 -3.676 -7.510 11.030 178 3HD1 LEU 21 3HD1 LEU 21 -3.364 -9.023 10.176 179 1HD2 LEU 21 1HD2 LEU 21 -4.879 -5.725 7.941 180 2HD2 LEU 21 2HD2 LEU 21 -4.625 -5.513 9.674 181 3HD2 LEU 21 3HD2 LEU 21 -5.913 -6.569 9.093 182 H GLU 22 H GLU 22 -1.904 -10.524 8.830 183 HA GLU 22 HA GLU 22 -2.881 -10.947 6.080 184 1HB GLU 22 1HB GLU 22 -0.902 -12.311 6.649 185 2HB GLU 22 2HB GLU 22 -1.762 -12.985 8.027 186 1HG GLU 22 1HG GLU 22 -3.440 -13.930 6.476 187 2HG GLU 22 2HG GLU 22 -2.492 -13.322 5.120 188 H GLU 23 H GLU 23 -5.020 -11.053 5.971 189 HA GLU 23 HA GLU 23 -6.501 -12.456 8.077 190 1HB GLU 23 1HB GLU 23 -6.538 -9.979 8.546 191 2HB GLU 23 2HB GLU 23 -7.347 -9.755 7.003 192 1HG GLU 23 1HG GLU 23 -8.916 -9.703 8.869 193 2HG GLU 23 2HG GLU 23 -9.254 -11.033 7.762 194 H LEU 24 H LEU 24 -8.698 -13.010 7.403 195 HA LEU 24 HA LEU 24 -8.732 -13.938 4.671 196 1HB LEU 24 1HB LEU 24 -10.830 -14.179 6.842 197 2HB LEU 24 2HB LEU 24 -10.841 -15.034 5.310 198 HG LEU 24 HG LEU 24 -8.799 -15.388 7.518 199 1HD1 LEU 24 1HD1 LEU 24 -11.006 -17.217 6.563 200 2HD1 LEU 24 2HD1 LEU 24 -10.968 -16.338 8.093 201 3HD1 LEU 24 3HD1 LEU 24 -9.789 -17.611 7.779 202 1HD2 LEU 24 1HD2 LEU 24 -7.792 -15.708 5.317 203 2HD2 LEU 24 2HD2 LEU 24 -9.076 -16.835 4.878 204 3HD2 LEU 24 3HD2 LEU 24 -7.944 -17.244 6.167 205 H ILE 25 H ILE 25 -10.071 -13.264 3.044 206 HA ILE 25 HA ILE 25 -11.233 -10.617 3.298 207 HB ILE 25 HB ILE 25 -10.960 -12.494 0.943 208 1HG1 ILE 25 1HG1 ILE 25 -9.569 -9.880 1.601 209 2HG1 ILE 25 2HG1 ILE 25 -8.858 -11.483 1.755 210 1HG2 ILE 25 1HG2 ILE 25 -12.970 -11.173 0.633 211 2HG2 ILE 25 2HG2 ILE 25 -11.710 -10.616 -0.467 212 3HG2 ILE 25 3HG2 ILE 25 -12.082 -9.691 0.988 213 1HD1 ILE 25 1HD1 ILE 25 -9.739 -10.172 -0.810 214 2HD1 ILE 25 2HD1 ILE 25 -9.052 -11.791 -0.667 215 3HD1 ILE 25 3HD1 ILE 25 -8.079 -10.381 -0.251 216 H VAL 26 H VAL 26 -13.282 -10.306 3.874 217 HA VAL 26 HA VAL 26 -15.213 -12.512 3.553 218 HB VAL 26 HB VAL 26 -16.571 -11.371 5.278 219 1HG1 VAL 26 1HG1 VAL 26 -14.998 -13.113 5.944 220 2HG1 VAL 26 2HG1 VAL 26 -15.116 -11.871 7.191 221 3HG1 VAL 26 3HG1 VAL 26 -13.717 -11.910 6.117 222 1HG2 VAL 26 1HG2 VAL 26 -15.613 -9.511 6.573 223 2HG2 VAL 26 2HG2 VAL 26 -15.848 -9.066 4.883 224 3HG2 VAL 26 3HG2 VAL 26 -14.233 -9.457 5.475 225 H GLU 27 H GLU 27 -14.520 -9.233 2.658 226 HA GLU 27 HA GLU 27 -16.947 -9.177 0.997 227 1HB GLU 27 1HB GLU 27 -17.430 -7.774 2.919 228 2HB GLU 27 2HB GLU 27 -15.903 -6.936 2.743 229 1HG GLU 27 1HG GLU 27 -17.607 -5.495 1.943 230 2HG GLU 27 2HG GLU 27 -16.701 -6.066 0.544 231 H MET 28 H MET 28 -16.698 -8.208 -0.985 232 HA MET 28 HA MET 28 -14.165 -6.972 -1.711 233 1HB MET 28 1HB MET 28 -14.255 -8.623 -3.813 234 2HB MET 28 2HB MET 28 -13.381 -9.035 -2.345 235 1HG MET 28 1HG MET 28 -14.756 -10.882 -3.251 236 2HG MET 28 2HG MET 28 -15.156 -10.445 -1.592 237 1HE MET 28 1HE MET 28 -17.445 -11.690 -1.614 238 2HE MET 28 2HE MET 28 -17.082 -12.274 -3.238 239 3HE MET 28 3HE MET 28 -18.644 -11.530 -2.897 240 H GLU 29 H GLU 29 -14.263 -5.958 -3.847 241 HA GLU 29 HA GLU 29 -16.701 -4.582 -4.192 242 1HB GLU 29 1HB GLU 29 -14.495 -3.626 -4.760 243 2HB GLU 29 2HB GLU 29 -14.353 -4.758 -6.097 244 1HG GLU 29 1HG GLU 29 -15.028 -2.544 -6.863 245 2HG GLU 29 2HG GLU 29 -16.278 -3.744 -7.190 246 H ASN 30 H ASN 30 -15.261 -7.306 -5.905 247 HA ASN 30 HA ASN 30 -17.846 -7.714 -7.266 248 1HB ASN 30 1HB ASN 30 -15.081 -8.224 -8.407 249 2HB ASN 30 2HB ASN 30 -16.581 -8.740 -9.168 250 1HD2 ASN 30 1HD2 ASN 30 -17.949 -6.220 -8.322 251 2HD2 ASN 30 2HD2 ASN 30 -17.361 -5.014 -9.409 252 HA PRO 31 HA PRO 31 -18.388 -11.528 -5.296 253 1HB PRO 31 1HB PRO 31 -18.679 -13.232 -7.555 254 2HB PRO 31 2HB PRO 31 -19.960 -12.432 -6.644 255 1HG PRO 31 1HG PRO 31 -18.645 -11.613 -9.183 256 2HG PRO 31 2HG PRO 31 -20.311 -11.347 -8.642 257 1HD PRO 31 1HD PRO 31 -18.528 -9.353 -8.663 258 2HD PRO 31 2HD PRO 31 -19.723 -9.490 -7.354 259 H ALA 32 H ALA 32 -16.062 -11.633 -7.972 260 HA ALA 32 HA ALA 32 -14.705 -13.964 -7.004 261 1HB ALA 32 1HB ALA 32 -14.554 -13.352 -9.357 262 2HB ALA 32 2HB ALA 32 -12.950 -13.368 -8.622 263 3HB ALA 32 3HB ALA 32 -13.765 -11.833 -8.930 264 H LEU 33 H LEU 33 -13.504 -10.629 -7.304 265 HA LEU 33 HA LEU 33 -12.797 -10.141 -4.680 266 1HB LEU 33 1HB LEU 33 -11.284 -12.208 -5.312 267 2HB LEU 33 2HB LEU 33 -10.319 -11.013 -6.152 268 HG LEU 33 HG LEU 33 -10.951 -10.930 -3.189 269 1HD1 LEU 33 1HD1 LEU 33 -8.423 -11.778 -4.603 270 2HD1 LEU 33 2HD1 LEU 33 -9.533 -12.833 -3.728 271 3HD1 LEU 33 3HD1 LEU 33 -8.623 -11.598 -2.859 272 1HD2 LEU 33 1HD2 LEU 33 -9.185 -9.228 -3.090 273 2HD2 LEU 33 2HD2 LEU 33 -10.530 -8.710 -4.103 274 3HD2 LEU 33 3HD2 LEU 33 -9.035 -9.279 -4.848 275 H TRP 34 H TRP 34 -10.981 -9.986 -7.731 276 HA TRP 34 HA TRP 34 -10.190 -7.285 -7.328 277 1HB TRP 34 1HB TRP 34 -10.040 -9.017 -9.811 278 2HB TRP 34 2HB TRP 34 -9.203 -7.482 -9.584 279 HD1 TRP 34 HD1 TRP 34 -9.078 -11.147 -8.520 280 HE1 TRP 34 HE1 TRP 34 -6.825 -11.600 -7.363 281 HE3 TRP 34 HE3 TRP 34 -7.338 -6.350 -8.220 282 HZ2 TRP 34 HZ2 TRP 34 -4.612 -10.121 -6.441 283 HZ3 TRP 34 HZ3 TRP 34 -5.142 -5.958 -7.187 284 HH2 TRP 34 HH2 TRP 34 -3.809 -7.806 -6.316 285 H GLY 35 H GLY 35 -10.655 -5.496 -8.712 286 1HA GLY 35 1HA GLY 35 -12.203 -4.706 -10.542 287 2HA GLY 35 2HA GLY 35 -13.463 -5.528 -9.635 288 H GLY 36 H GLY 36 -11.378 -4.341 -7.397 289 1HA GLY 36 1HA GLY 36 -11.508 -1.681 -7.152 290 2HA GLY 36 2HA GLY 36 -13.158 -2.141 -6.754 291 H LYS 37 H LYS 37 -13.241 -1.721 -4.644 292 HA LYS 37 HA LYS 37 -11.047 -2.055 -2.863 293 1HB LYS 37 1HB LYS 37 -12.716 -1.394 -1.113 294 2HB LYS 37 2HB LYS 37 -12.599 -0.274 -2.463 295 1HG LYS 37 1HG LYS 37 -14.875 -0.399 -2.178 296 2HG LYS 37 2HG LYS 37 -14.616 -1.624 -3.419 297 1HD LYS 37 1HD LYS 37 -14.510 -3.315 -1.505 298 2HD LYS 37 2HD LYS 37 -15.136 -2.028 -0.474 299 1HE LYS 37 1HE LYS 37 -16.462 -3.260 -2.887 300 2HE LYS 37 2HE LYS 37 -16.980 -3.375 -1.206 301 1HZ LYS 37 1HZ LYS 37 -16.997 -0.954 -2.923 302 2HZ LYS 37 2HZ LYS 37 -17.321 -0.933 -1.264 303 3HZ LYS 37 3HZ LYS 37 -18.340 -1.785 -2.312 304 H VAL 38 H VAL 38 -11.238 -3.226 -0.793 305 HA VAL 38 HA VAL 38 -12.816 -5.690 -0.838 306 HB VAL 38 HB VAL 38 -10.473 -6.082 -1.844 307 1HG1 VAL 38 1HG1 VAL 38 -8.622 -6.335 -0.272 308 2HG1 VAL 38 2HG1 VAL 38 -9.643 -5.757 1.045 309 3HG1 VAL 38 3HG1 VAL 38 -9.216 -4.675 -0.280 310 1HG2 VAL 38 1HG2 VAL 38 -10.191 -8.225 -0.684 311 2HG2 VAL 38 2HG2 VAL 38 -11.882 -7.911 -1.073 312 3HG2 VAL 38 3HG2 VAL 38 -11.300 -7.686 0.578 313 H THR 39 H THR 39 -12.780 -6.741 1.350 314 HA THR 39 HA THR 39 -11.782 -5.042 3.517 315 HB THR 39 HB THR 39 -14.623 -6.086 3.476 316 HG1 THR 39 HG1 THR 39 -13.536 -3.784 2.512 317 1HG2 THR 39 1HG2 THR 39 -13.659 -5.995 5.727 318 2HG2 THR 39 2HG2 THR 39 -14.898 -4.757 5.521 319 3HG2 THR 39 3HG2 THR 39 -13.192 -4.314 5.462 320 H LEU 40 H LEU 40 -10.732 -6.211 4.947 321 HA LEU 40 HA LEU 40 -10.761 -9.086 4.881 322 1HB LEU 40 1HB LEU 40 -9.302 -7.088 6.620 323 2HB LEU 40 2HB LEU 40 -9.135 -8.820 6.812 324 HG LEU 40 HG LEU 40 -7.250 -8.069 5.572 325 1HD1 LEU 40 1HD1 LEU 40 -8.208 -10.173 4.813 326 2HD1 LEU 40 2HD1 LEU 40 -7.468 -9.296 3.478 327 3HD1 LEU 40 3HD1 LEU 40 -9.221 -9.311 3.654 328 1HD2 LEU 40 1HD2 LEU 40 -9.170 -6.719 3.670 329 2HD2 LEU 40 2HD2 LEU 40 -7.420 -6.822 3.474 330 3HD2 LEU 40 3HD2 LEU 40 -8.102 -5.916 4.822 331 H ALA 41 H ALA 41 -10.874 -10.282 7.032 332 HA ALA 41 HA ALA 41 -13.493 -10.067 8.030 333 1HB ALA 41 1HB ALA 41 -11.152 -11.548 9.230 334 2HB ALA 41 2HB ALA 41 -12.238 -12.169 7.988 335 3HB ALA 41 3HB ALA 41 -12.854 -11.822 9.603 336 H ASN 42 H ASN 42 -10.571 -8.532 9.017 337 HA ASN 42 HA ASN 42 -11.484 -7.863 11.680 338 1HB ASN 42 1HB ASN 42 -9.085 -8.238 11.211 339 2HB ASN 42 2HB ASN 42 -9.085 -6.856 10.120 340 1HD2 ASN 42 1HD2 ASN 42 -7.528 -5.765 11.309 341 2HD2 ASN 42 2HD2 ASN 42 -7.861 -5.054 12.848 342 H GLY 43 H GLY 43 -11.994 -6.626 8.571 343 1HA GLY 43 1HA GLY 43 -13.532 -4.849 8.170 344 2HA GLY 43 2HA GLY 43 -13.049 -4.115 9.692 345 H TRP 44 H TRP 44 -10.235 -5.032 8.413 346 HA TRP 44 HA TRP 44 -9.419 -2.435 7.604 347 1HB TRP 44 1HB TRP 44 -7.938 -4.226 8.597 348 2HB TRP 44 2HB TRP 44 -8.021 -5.072 7.057 349 HD1 TRP 44 HD1 TRP 44 -6.619 -4.050 5.023 350 HE1 TRP 44 HE1 TRP 44 -4.685 -2.358 4.936 351 HE3 TRP 44 HE3 TRP 44 -7.032 -2.106 9.734 352 HZ2 TRP 44 HZ2 TRP 44 -3.486 -0.455 6.641 353 HZ3 TRP 44 HZ3 TRP 44 -5.449 -0.355 10.430 354 HH2 TRP 44 HH2 TRP 44 -3.712 0.452 8.914 355 H GLN 45 H GLN 45 -9.199 -1.555 5.544 356 HA GLN 45 HA GLN 45 -10.322 -3.166 3.336 357 1HB GLN 45 1HB GLN 45 -10.790 -0.253 3.986 358 2HB GLN 45 2HB GLN 45 -11.275 -1.007 2.474 359 1HG GLN 45 1HG GLN 45 -12.740 -2.534 3.699 360 2HG GLN 45 2HG GLN 45 -12.252 -1.785 5.218 361 1HE2 GLN 45 1HE2 GLN 45 -14.890 -2.002 3.911 362 2HE2 GLN 45 2HE2 GLN 45 -15.475 -0.379 3.781 363 H LEU 46 H LEU 46 -9.281 -3.182 1.448 364 HA LEU 46 HA LEU 46 -7.242 -1.118 0.900 365 1HB LEU 46 1HB LEU 46 -7.174 -4.035 0.078 366 2HB LEU 46 2HB LEU 46 -6.086 -2.812 -0.541 367 HG LEU 46 HG LEU 46 -4.856 -3.986 1.074 368 1HD1 LEU 46 1HD1 LEU 46 -5.879 -1.502 2.444 369 2HD1 LEU 46 2HD1 LEU 46 -4.584 -1.573 1.248 370 3HD1 LEU 46 3HD1 LEU 46 -4.379 -2.356 2.814 371 1HD2 LEU 46 1HD2 LEU 46 -7.189 -3.699 2.965 372 2HD2 LEU 46 2HD2 LEU 46 -5.630 -4.429 3.349 373 3HD2 LEU 46 3HD2 LEU 46 -6.678 -5.175 2.145 374 H GLU 47 H GLU 47 -7.086 -0.473 -1.299 375 HA GLU 47 HA GLU 47 -9.480 -1.026 -2.913 376 1HB GLU 47 1HB GLU 47 -8.924 1.363 -2.274 377 2HB GLU 47 2HB GLU 47 -7.480 1.220 -3.253 378 1HG GLU 47 1HG GLU 47 -8.801 0.852 -5.245 379 2HG GLU 47 2HG GLU 47 -10.283 0.871 -4.293 380 H LEU 48 H LEU 48 -9.151 -2.538 -4.407 381 HA LEU 48 HA LEU 48 -6.450 -3.009 -5.422 382 1HB LEU 48 1HB LEU 48 -8.995 -4.628 -5.595 383 2HB LEU 48 2HB LEU 48 -7.519 -5.068 -6.434 384 HG LEU 48 HG LEU 48 -7.661 -6.405 -4.457 385 1HD1 LEU 48 1HD1 LEU 48 -5.427 -5.590 -5.026 386 2HD1 LEU 48 2HD1 LEU 48 -5.611 -5.819 -3.288 387 3HD1 LEU 48 3HD1 LEU 48 -5.664 -4.193 -3.973 388 1HD2 LEU 48 1HD2 LEU 48 -7.831 -5.468 -2.211 389 2HD2 LEU 48 2HD2 LEU 48 -9.231 -5.029 -3.188 390 3HD2 LEU 48 3HD2 LEU 48 -7.960 -3.844 -2.886 391 HA PRO 49 HA PRO 49 -7.512 -1.073 -9.330 392 1HB PRO 49 1HB PRO 49 -5.425 -2.094 -10.773 393 2HB PRO 49 2HB PRO 49 -5.256 -0.722 -9.673 394 1HG PRO 49 1HG PRO 49 -4.595 -3.611 -9.211 395 2HG PRO 49 2HG PRO 49 -3.670 -2.165 -8.763 396 1HD PRO 49 1HD PRO 49 -5.194 -3.512 -6.980 397 2HD PRO 49 2HD PRO 49 -4.978 -1.752 -6.898 398 H ALA 50 H ALA 50 -8.271 -1.789 -11.403 399 HA ALA 50 HA ALA 50 -9.649 -4.266 -11.302 400 1HB ALA 50 1HB ALA 50 -10.539 -2.330 -12.498 401 2HB ALA 50 2HB ALA 50 -10.407 -3.731 -13.562 402 3HB ALA 50 3HB ALA 50 -9.219 -2.430 -13.662 403 H MET 51 H MET 51 -8.073 -5.842 -11.000 404 HA MET 51 HA MET 51 -6.326 -6.452 -13.294 405 1HB MET 51 1HB MET 51 -6.321 -7.521 -10.455 406 2HB MET 51 2HB MET 51 -5.227 -8.053 -11.724 407 1HG MET 51 1HG MET 51 -5.392 -5.244 -10.645 408 2HG MET 51 2HG MET 51 -4.200 -6.454 -10.166 409 1HE MET 51 1HE MET 51 -3.357 -3.572 -11.193 410 2HE MET 51 2HE MET 51 -2.034 -3.986 -12.284 411 3HE MET 51 3HE MET 51 -2.201 -4.828 -10.743 412 H ALA 52 H ALA 52 -6.055 -9.014 -13.409 413 HA ALA 52 HA ALA 52 -8.445 -10.095 -14.372 414 1HB ALA 52 1HB ALA 52 -6.221 -10.877 -15.049 415 2HB ALA 52 2HB ALA 52 -7.243 -12.208 -14.508 416 3HB ALA 52 3HB ALA 52 -5.981 -11.577 -13.447 417 H ALA 53 H ALA 53 -10.125 -11.038 -13.413 418 HA ALA 53 HA ALA 53 -10.372 -10.931 -10.587 419 1HB ALA 53 1HB ALA 53 -12.624 -11.783 -10.937 420 2HB ALA 53 2HB ALA 53 -12.224 -12.207 -12.602 421 3HB ALA 53 3HB ALA 53 -12.252 -10.515 -12.105 422 H ASP 54 H ASP 54 -9.355 -13.427 -12.756 423 HA ASP 54 HA ASP 54 -10.098 -15.625 -11.073 424 1HB ASP 54 1HB ASP 54 -8.888 -17.044 -12.617 425 2HB ASP 54 2HB ASP 54 -9.844 -15.886 -13.527 426 H THR 55 H THR 55 -6.946 -14.180 -11.918 427 HA THR 55 HA THR 55 -4.866 -14.590 -11.026 428 HB THR 55 HB THR 55 -4.866 -13.672 -8.568 429 HG1 THR 55 HG1 THR 55 -7.390 -12.678 -9.417 430 1HG2 THR 55 1HG2 THR 55 -5.751 -11.971 -10.910 431 2HG2 THR 55 2HG2 THR 55 -4.088 -12.400 -10.512 432 3HG2 THR 55 3HG2 THR 55 -5.016 -11.371 -9.423 433 HA PRO 56 HA PRO 56 -5.661 -18.646 -8.994 434 1HB PRO 56 1HB PRO 56 -3.982 -20.114 -10.509 435 2HB PRO 56 2HB PRO 56 -5.590 -19.655 -11.084 436 1HG PRO 56 1HG PRO 56 -2.933 -18.407 -11.704 437 2HG PRO 56 2HG PRO 56 -4.270 -18.792 -12.805 438 1HD PRO 56 1HD PRO 56 -3.825 -16.287 -11.805 439 2HD PRO 56 2HD PRO 56 -5.434 -16.884 -12.260 440 H LEU 57 H LEU 57 -3.139 -16.493 -9.129 441 HA LEU 57 HA LEU 57 -1.513 -18.057 -7.241 442 1HB LEU 57 1HB LEU 57 0.486 -16.817 -8.258 443 2HB LEU 57 2HB LEU 57 -0.198 -18.146 -9.169 444 HG LEU 57 HG LEU 57 -1.450 -16.434 -10.553 445 1HD1 LEU 57 1HD1 LEU 57 -0.579 -14.139 -10.574 446 2HD1 LEU 57 2HD1 LEU 57 0.399 -14.503 -9.151 447 3HD1 LEU 57 3HD1 LEU 57 -1.361 -14.537 -9.047 448 1HD2 LEU 57 1HD2 LEU 57 0.561 -17.549 -11.365 449 2HD2 LEU 57 2HD2 LEU 57 1.567 -16.316 -10.603 450 3HD2 LEU 57 3HD2 LEU 57 0.490 -15.880 -11.931 451 HA PRO 58 HA PRO 58 -1.684 -14.438 -4.670 452 1HB PRO 58 1HB PRO 58 0.682 -14.561 -3.340 453 2HB PRO 58 2HB PRO 58 -0.651 -15.678 -3.017 454 1HG PRO 58 1HG PRO 58 1.808 -16.094 -4.682 455 2HG PRO 58 2HG PRO 58 1.034 -17.203 -3.534 456 1HD PRO 58 1HD PRO 58 0.699 -17.387 -6.233 457 2HD PRO 58 2HD PRO 58 -0.545 -17.887 -5.068 458 H ILE 59 H ILE 59 -1.668 -12.731 -6.085 459 HA ILE 59 HA ILE 59 0.880 -11.830 -7.219 460 HB ILE 59 HB ILE 59 -0.927 -12.035 -8.816 461 1HG1 ILE 59 1HG1 ILE 59 -0.334 -9.120 -8.202 462 2HG1 ILE 59 2HG1 ILE 59 0.654 -10.194 -9.187 463 1HG2 ILE 59 1HG2 ILE 59 -2.469 -10.104 -7.082 464 2HG2 ILE 59 2HG2 ILE 59 -2.814 -11.821 -7.293 465 3HG2 ILE 59 3HG2 ILE 59 -2.983 -10.714 -8.656 466 1HD1 ILE 59 1HD1 ILE 59 -1.153 -10.351 -10.823 467 2HD1 ILE 59 2HD1 ILE 59 -0.649 -8.682 -10.559 468 3HD1 ILE 59 3HD1 ILE 59 -2.140 -9.275 -9.831 469 H THR 60 H THR 60 1.747 -9.848 -6.822 470 HA THR 60 HA THR 60 0.678 -8.328 -4.550 471 HB THR 60 HB THR 60 3.388 -8.136 -5.893 472 HG1 THR 60 HG1 THR 60 3.034 -10.159 -4.834 473 1HG2 THR 60 1HG2 THR 60 2.397 -7.027 -3.258 474 2HG2 THR 60 2HG2 THR 60 2.734 -6.085 -4.713 475 3HG2 THR 60 3HG2 THR 60 4.046 -6.912 -3.871 476 H VAL 61 H VAL 61 -0.018 -6.249 -4.779 477 HA VAL 61 HA VAL 61 0.443 -4.852 -7.325 478 HB VAL 61 HB VAL 61 -1.913 -4.080 -7.378 479 1HG1 VAL 61 1HG1 VAL 61 -2.914 -6.162 -8.215 480 2HG1 VAL 61 2HG1 VAL 61 -1.607 -7.084 -7.472 481 3HG1 VAL 61 3HG1 VAL 61 -1.256 -5.959 -8.783 482 1HG2 VAL 61 1HG2 VAL 61 -2.350 -6.114 -5.183 483 2HG2 VAL 61 2HG2 VAL 61 -3.616 -5.222 -6.026 484 3HG2 VAL 61 3HG2 VAL 61 -2.459 -4.361 -5.011 485 H GLU 62 H GLU 62 -0.549 -2.530 -7.077 486 HA GLU 62 HA GLU 62 0.828 -1.201 -5.006 487 1HB GLU 62 1HB GLU 62 -1.301 -0.291 -6.949 488 2HB GLU 62 2HB GLU 62 -0.563 0.801 -5.786 489 1HG GLU 62 1HG GLU 62 0.461 0.984 -7.997 490 2HG GLU 62 2HG GLU 62 1.615 0.451 -6.777 491 H ALA 63 H ALA 63 0.195 -0.479 -3.036 492 HA ALA 63 HA ALA 63 -2.362 -1.480 -2.026 493 1HB ALA 63 1HB ALA 63 0.020 -0.411 -0.503 494 2HB ALA 63 2HB ALA 63 -0.311 -2.112 -0.827 495 3HB ALA 63 3HB ALA 63 -1.407 -1.181 0.193 496 H ARG 64 H ARG 64 -4.016 -0.091 -2.140 497 HA ARG 64 HA ARG 64 -3.577 2.685 -1.223 498 1HB ARG 64 1HB ARG 64 -5.748 1.591 -3.037 499 2HB ARG 64 2HB ARG 64 -5.632 3.255 -2.495 500 1HG ARG 64 1HG ARG 64 -3.455 1.934 -4.099 501 2HG ARG 64 2HG ARG 64 -4.837 2.725 -4.855 502 1HD ARG 64 1HD ARG 64 -2.999 4.272 -4.794 503 2HD ARG 64 2HD ARG 64 -4.234 4.819 -3.663 504 HE ARG 64 HE ARG 64 -2.380 3.272 -2.246 505 1HH1 ARG 64 1HH1 ARG 64 -2.457 6.296 -4.010 506 2HH1 ARG 64 2HH1 ARG 64 -1.261 7.056 -3.010 507 1HH2 ARG 64 1HH2 ARG 64 -0.791 4.276 -0.935 508 2HH2 ARG 64 2HH2 ARG 64 -0.307 5.908 -1.271 509 H LYS 65 H LYS 65 -4.545 3.166 0.696 510 HA LYS 65 HA LYS 65 -6.322 1.134 1.855 511 1HB LYS 65 1HB LYS 65 -4.373 1.781 3.208 512 2HB LYS 65 2HB LYS 65 -4.898 3.462 3.180 513 1HG LYS 65 1HG LYS 65 -6.988 2.769 4.347 514 2HG LYS 65 2HG LYS 65 -6.325 1.140 4.476 515 1HD LYS 65 1HD LYS 65 -4.463 1.987 5.808 516 2HD LYS 65 2HD LYS 65 -5.074 3.636 5.640 517 1HE LYS 65 1HE LYS 65 -6.508 1.346 6.996 518 2HE LYS 65 2HE LYS 65 -5.674 2.666 7.812 519 1HZ LYS 65 1HZ LYS 65 -7.247 4.220 6.908 520 2HZ LYS 65 2HZ LYS 65 -8.093 2.983 7.689 521 3HZ LYS 65 3HZ LYS 65 -8.008 3.013 6.000 522 H LEU 66 H LEU 66 -8.338 1.623 2.668 523 HA LEU 66 HA LEU 66 -9.581 4.067 1.676 524 1HB LEU 66 1HB LEU 66 -10.673 1.523 2.883 525 2HB LEU 66 2HB LEU 66 -11.684 2.935 2.642 526 HG LEU 66 HG LEU 66 -11.231 2.835 0.208 527 1HD1 LEU 66 1HD1 LEU 66 -10.183 0.845 -0.757 528 2HD1 LEU 66 2HD1 LEU 66 -9.771 0.277 0.861 529 3HD1 LEU 66 3HD1 LEU 66 -9.054 1.763 0.238 530 1HD2 LEU 66 1HD2 LEU 66 -12.308 0.268 1.378 531 2HD2 LEU 66 2HD2 LEU 66 -12.584 0.852 -0.263 532 3HD2 LEU 66 3HD2 LEU 66 -13.222 1.754 1.111 Start of MODEL 18 1 H MET 1 H MET 1 4.155 1.483 0.850 2 HA MET 1 HA MET 1 2.416 -0.049 1.383 3 1HB MET 1 1HB MET 1 0.663 0.820 -0.137 4 2HB MET 1 2HB MET 1 1.737 2.083 0.441 5 1HG MET 1 1HG MET 1 1.772 0.799 -2.286 6 2HG MET 1 2HG MET 1 1.234 2.430 -1.888 7 1HE MET 1 1HE MET 1 2.848 3.241 -3.912 8 2HE MET 1 2HE MET 1 3.413 1.588 -4.159 9 3HE MET 1 3HE MET 1 4.577 2.896 -3.961 10 H LYS 2 H LYS 2 2.810 -2.225 1.243 11 HA LYS 2 HA LYS 2 2.577 -3.474 -1.425 12 1HB LYS 2 1HB LYS 2 4.864 -3.613 -0.524 13 2HB LYS 2 2HB LYS 2 4.251 -4.367 0.940 14 1HG LYS 2 1HG LYS 2 3.474 -6.287 -0.394 15 2HG LYS 2 2HG LYS 2 4.149 -5.531 -1.840 16 1HD LYS 2 1HD LYS 2 6.391 -5.599 -0.804 17 2HD LYS 2 2HD LYS 2 5.700 -6.398 0.611 18 1HE LYS 2 1HE LYS 2 4.981 -8.272 -0.823 19 2HE LYS 2 2HE LYS 2 5.714 -7.474 -2.215 20 1HZ LYS 2 1HZ LYS 2 7.862 -7.594 -1.030 21 2HZ LYS 2 2HZ LYS 2 7.209 -9.112 -1.384 22 3HZ LYS 2 3HZ LYS 2 7.117 -8.502 0.188 23 H VAL 3 H VAL 3 1.150 -5.106 -1.662 24 HA VAL 3 HA VAL 3 0.251 -6.617 0.649 25 HB VAL 3 HB VAL 3 -1.396 -4.813 0.575 26 1HG1 VAL 3 1HG1 VAL 3 -1.959 -5.704 -2.257 27 2HG1 VAL 3 2HG1 VAL 3 -1.209 -4.182 -1.774 28 3HG1 VAL 3 3HG1 VAL 3 -2.887 -4.513 -1.346 29 1HG2 VAL 3 1HG2 VAL 3 -2.136 -7.035 1.259 30 2HG2 VAL 3 2HG2 VAL 3 -2.522 -7.438 -0.415 31 3HG2 VAL 3 3HG2 VAL 3 -3.428 -6.176 0.419 32 H MET 4 H MET 4 0.106 -8.704 0.153 33 HA MET 4 HA MET 4 0.139 -9.483 -2.685 34 1HB MET 4 1HB MET 4 2.010 -10.328 -1.346 35 2HB MET 4 2HB MET 4 0.893 -11.054 -0.200 36 1HG MET 4 1HG MET 4 0.084 -12.570 -1.943 37 2HG MET 4 2HG MET 4 1.194 -11.834 -3.098 38 1HE MET 4 1HE MET 4 3.826 -12.058 -2.980 39 2HE MET 4 2HE MET 4 4.683 -12.865 -1.667 40 3HE MET 4 3HE MET 4 3.802 -11.369 -1.355 41 H ILE 5 H ILE 5 -1.821 -9.926 -3.465 42 HA ILE 5 HA ILE 5 -3.998 -10.733 -1.748 43 HB ILE 5 HB ILE 5 -3.912 -10.531 -4.772 44 1HG1 ILE 5 1HG1 ILE 5 -3.413 -8.373 -3.718 45 2HG1 ILE 5 2HG1 ILE 5 -5.009 -8.340 -4.460 46 1HG2 ILE 5 1HG2 ILE 5 -6.363 -10.428 -4.623 47 2HG2 ILE 5 2HG2 ILE 5 -6.265 -10.684 -2.880 48 3HG2 ILE 5 3HG2 ILE 5 -5.735 -11.949 -3.989 49 1HD1 ILE 5 1HD1 ILE 5 -6.034 -8.653 -2.262 50 2HD1 ILE 5 2HD1 ILE 5 -5.009 -7.219 -2.306 51 3HD1 ILE 5 3HD1 ILE 5 -4.433 -8.689 -1.523 52 H ARG 6 H ARG 6 -4.188 -12.765 -1.086 53 HA ARG 6 HA ARG 6 -3.023 -14.922 -2.710 54 1HB ARG 6 1HB ARG 6 -3.804 -14.890 0.217 55 2HB ARG 6 2HB ARG 6 -3.080 -16.252 -0.627 56 1HG ARG 6 1HG ARG 6 -1.070 -14.859 -1.057 57 2HG ARG 6 2HG ARG 6 -1.796 -13.574 -0.088 58 1HD ARG 6 1HD ARG 6 -0.200 -14.930 1.216 59 2HD ARG 6 2HD ARG 6 -1.842 -15.031 1.862 60 HE ARG 6 HE ARG 6 -1.195 -17.126 -0.008 61 1HH1 ARG 6 1HH1 ARG 6 -1.007 -16.181 3.376 62 2HH1 ARG 6 2HH1 ARG 6 -0.956 -17.821 3.942 63 1HH2 ARG 6 1HH2 ARG 6 -1.145 -19.247 0.746 64 2HH2 ARG 6 2HH2 ARG 6 -1.026 -19.564 2.450 65 H LYS 7 H LYS 7 -4.432 -16.028 -3.919 66 HA LYS 7 HA LYS 7 -7.190 -16.381 -3.062 67 1HB LYS 7 1HB LYS 7 -5.702 -17.469 -5.468 68 2HB LYS 7 2HB LYS 7 -7.413 -17.727 -5.148 69 1HG LYS 7 1HG LYS 7 -7.685 -15.217 -5.197 70 2HG LYS 7 2HG LYS 7 -6.027 -15.132 -5.799 71 1HD LYS 7 1HD LYS 7 -8.311 -16.625 -7.100 72 2HD LYS 7 2HD LYS 7 -7.661 -15.073 -7.634 73 1HE LYS 7 1HE LYS 7 -5.517 -16.108 -8.116 74 2HE LYS 7 2HE LYS 7 -6.093 -17.653 -7.492 75 1HZ LYS 7 1HZ LYS 7 -6.166 -17.596 -9.896 76 2HZ LYS 7 2HZ LYS 7 -7.174 -16.238 -9.866 77 3HZ LYS 7 3HZ LYS 7 -7.732 -17.715 -9.265 78 H THR 8 H THR 8 -7.927 -18.131 -2.011 79 HA THR 8 HA THR 8 -6.192 -20.476 -1.710 80 HB THR 8 HB THR 8 -6.710 -20.389 0.808 81 HG1 THR 8 HG1 THR 8 -6.758 -17.737 1.023 82 1HG2 THR 8 1HG2 THR 8 -4.799 -18.921 1.296 83 2HG2 THR 8 2HG2 THR 8 -4.868 -18.281 -0.346 84 3HG2 THR 8 3HG2 THR 8 -4.459 -19.976 -0.076 85 H ALA 9 H ALA 9 -7.329 -22.294 -0.656 86 HA ALA 9 HA ALA 9 -9.958 -22.686 -1.651 87 1HB ALA 9 1HB ALA 9 -8.449 -24.259 0.448 88 2HB ALA 9 2HB ALA 9 -8.396 -24.544 -1.292 89 3HB ALA 9 3HB ALA 9 -9.899 -24.798 -0.403 90 H THR 10 H THR 10 -8.657 -21.402 1.274 91 HA THR 10 HA THR 10 -10.946 -21.546 2.929 92 HB THR 10 HB THR 10 -8.804 -19.398 2.976 93 HG1 THR 10 HG1 THR 10 -8.794 -22.078 3.947 94 1HG2 THR 10 1HG2 THR 10 -9.239 -19.375 5.392 95 2HG2 THR 10 2HG2 THR 10 -10.486 -20.605 5.187 96 3HG2 THR 10 3HG2 THR 10 -10.707 -19.002 4.487 97 H GLY 11 H GLY 11 -10.260 -19.734 0.128 98 1HA GLY 11 1HA GLY 11 -12.341 -18.762 -0.848 99 2HA GLY 11 2HA GLY 11 -12.522 -17.910 0.678 100 H HIS 12 H HIS 12 -11.410 -16.049 1.026 101 HA HIS 12 HA HIS 12 -9.527 -15.158 -1.063 102 1HB HIS 12 1HB HIS 12 -11.597 -13.358 0.234 103 2HB HIS 12 2HB HIS 12 -10.541 -12.974 -1.121 104 HD1 HIS 12 HD1 HIS 12 -13.718 -14.721 -0.254 105 HD2 HIS 12 HD2 HIS 12 -11.414 -13.931 -3.620 106 HE1 HIS 12 HE1 HIS 12 -15.173 -15.298 -2.217 107 HE2 HIS 12 HE2 HIS 12 -13.831 -14.621 -4.235 108 H SER 13 H SER 13 -7.655 -14.402 -0.205 109 HA SER 13 HA SER 13 -7.669 -13.316 2.519 110 1HB SER 13 1HB SER 13 -5.518 -14.643 2.948 111 2HB SER 13 2HB SER 13 -7.020 -15.566 2.951 112 HG SER 13 HG SER 13 -5.937 -15.415 0.465 113 H ALA 14 H ALA 14 -5.930 -11.887 2.968 114 HA ALA 14 HA ALA 14 -4.223 -11.131 0.704 115 1HB ALA 14 1HB ALA 14 -6.239 -9.717 0.558 116 2HB ALA 14 2HB ALA 14 -4.795 -8.774 0.925 117 3HB ALA 14 3HB ALA 14 -5.950 -9.151 2.204 118 H TYR 15 H TYR 15 -2.200 -10.712 1.339 119 HA TYR 15 HA TYR 15 -1.656 -10.313 4.197 120 1HB TYR 15 1HB TYR 15 -0.381 -12.109 3.087 121 2HB TYR 15 2HB TYR 15 0.240 -10.954 1.912 122 HD1 TYR 15 HD1 TYR 15 2.064 -9.464 2.482 123 HD2 TYR 15 HD2 TYR 15 0.387 -12.030 5.439 124 HE1 TYR 15 HE1 TYR 15 3.953 -8.972 3.974 125 HE2 TYR 15 HE2 TYR 15 2.271 -11.540 6.937 126 HH TYR 15 HH TYR 15 4.399 -9.002 6.461 127 H VAL 16 H VAL 16 -1.886 -8.211 4.653 128 HA VAL 16 HA VAL 16 -0.920 -6.157 2.824 129 HB VAL 16 HB VAL 16 -2.303 -5.873 5.507 130 1HG1 VAL 16 1HG1 VAL 16 -1.757 -3.824 3.352 131 2HG1 VAL 16 2HG1 VAL 16 -0.976 -3.911 4.931 132 3HG1 VAL 16 3HG1 VAL 16 -2.698 -3.550 4.820 133 1HG2 VAL 16 1HG2 VAL 16 -3.748 -6.975 3.872 134 2HG2 VAL 16 2HG2 VAL 16 -3.450 -5.678 2.714 135 3HG2 VAL 16 3HG2 VAL 16 -4.319 -5.340 4.211 136 H ALA 17 H ALA 17 1.253 -5.890 2.924 137 HA ALA 17 HA ALA 17 2.861 -6.472 5.166 138 1HB ALA 17 1HB ALA 17 4.671 -5.406 3.935 139 2HB ALA 17 2HB ALA 17 3.510 -4.689 2.819 140 3HB ALA 17 3HB ALA 17 3.718 -6.440 2.870 141 H LYS 18 H LYS 18 1.221 -3.564 4.149 142 HA LYS 18 HA LYS 18 2.489 -1.620 5.673 143 1HB LYS 18 1HB LYS 18 0.830 -0.983 4.059 144 2HB LYS 18 2HB LYS 18 -0.410 -1.931 4.865 145 1HG LYS 18 1HG LYS 18 -0.758 0.428 5.268 146 2HG LYS 18 2HG LYS 18 -0.351 -0.393 6.773 147 1HD LYS 18 1HD LYS 18 0.832 1.707 6.684 148 2HD LYS 18 2HD LYS 18 1.996 0.393 6.516 149 1HE LYS 18 1HE LYS 18 2.029 0.733 4.088 150 2HE LYS 18 2HE LYS 18 0.858 2.042 4.253 151 1HZ LYS 18 1HZ LYS 18 2.468 3.266 5.575 152 2HZ LYS 18 2HZ LYS 18 3.109 2.887 4.059 153 3HZ LYS 18 3HZ LYS 18 3.588 2.009 5.422 154 H LYS 19 H LYS 19 -0.149 -3.799 6.593 155 HA LYS 19 HA LYS 19 0.004 -2.869 9.380 156 1HB LYS 19 1HB LYS 19 -2.178 -3.158 7.892 157 2HB LYS 19 2HB LYS 19 -2.032 -4.841 8.357 158 1HG LYS 19 1HG LYS 19 -2.229 -2.560 10.325 159 2HG LYS 19 2HG LYS 19 -3.611 -3.481 9.738 160 1HD LYS 19 1HD LYS 19 -2.452 -5.553 10.624 161 2HD LYS 19 2HD LYS 19 -1.299 -4.471 11.405 162 1HE LYS 19 1HE LYS 19 -4.283 -4.545 11.872 163 2HE LYS 19 2HE LYS 19 -3.044 -5.158 12.964 164 1HZ LYS 19 1HZ LYS 19 -2.213 -2.912 13.240 165 2HZ LYS 19 2HZ LYS 19 -3.858 -2.985 13.638 166 3HZ LYS 19 3HZ LYS 19 -3.376 -2.318 12.163 167 H ASP 20 H ASP 20 1.222 -5.238 7.367 168 HA ASP 20 HA ASP 20 2.094 -7.322 7.555 169 1HB ASP 20 1HB ASP 20 2.294 -6.492 10.464 170 2HB ASP 20 2HB ASP 20 2.957 -8.001 9.848 171 H LEU 21 H LEU 21 -0.687 -6.944 7.570 172 HA LEU 21 HA LEU 21 -1.752 -8.970 9.421 173 1HB LEU 21 1HB LEU 21 -2.808 -6.810 9.644 174 2HB LEU 21 2HB LEU 21 -3.062 -6.702 7.913 175 HG LEU 21 HG LEU 21 -4.625 -8.672 8.104 176 1HD1 LEU 21 1HD1 LEU 21 -4.333 -8.138 11.055 177 2HD1 LEU 21 2HD1 LEU 21 -3.816 -9.590 10.198 178 3HD1 LEU 21 3HD1 LEU 21 -5.532 -9.197 10.311 179 1HD2 LEU 21 1HD2 LEU 21 -5.350 -6.189 9.664 180 2HD2 LEU 21 2HD2 LEU 21 -6.490 -7.350 8.981 181 3HD2 LEU 21 3HD2 LEU 21 -5.462 -6.392 7.915 182 H GLU 22 H GLU 22 -2.113 -10.917 8.551 183 HA GLU 22 HA GLU 22 -2.999 -11.075 5.742 184 1HB GLU 22 1HB GLU 22 -1.024 -12.474 6.408 185 2HB GLU 22 2HB GLU 22 -2.060 -13.326 7.544 186 1HG GLU 22 1HG GLU 22 -3.510 -13.984 5.618 187 2HG GLU 22 2HG GLU 22 -2.309 -13.273 4.540 188 H GLU 23 H GLU 23 -5.169 -10.993 5.626 189 HA GLU 23 HA GLU 23 -6.738 -12.556 7.555 190 1HB GLU 23 1HB GLU 23 -6.583 -10.145 8.298 191 2HB GLU 23 2HB GLU 23 -7.410 -9.694 6.819 192 1HG GLU 23 1HG GLU 23 -8.892 -9.791 8.787 193 2HG GLU 23 2HG GLU 23 -9.390 -10.863 7.481 194 H LEU 24 H LEU 24 -9.008 -12.813 6.864 195 HA LEU 24 HA LEU 24 -9.127 -13.499 4.072 196 1HB LEU 24 1HB LEU 24 -11.237 -13.705 6.232 197 2HB LEU 24 2HB LEU 24 -11.327 -14.440 4.642 198 HG LEU 24 HG LEU 24 -9.318 -15.149 6.794 199 1HD1 LEU 24 1HD1 LEU 24 -11.583 -15.900 7.324 200 2HD1 LEU 24 2HD1 LEU 24 -10.528 -17.260 6.943 201 3HD1 LEU 24 3HD1 LEU 24 -11.695 -16.690 5.750 202 1HD2 LEU 24 1HD2 LEU 24 -8.676 -16.987 5.303 203 2HD2 LEU 24 2HD2 LEU 24 -8.372 -15.417 4.560 204 3HD2 LEU 24 3HD2 LEU 24 -9.772 -16.370 4.066 205 H ILE 25 H ILE 25 -10.226 -12.481 2.492 206 HA ILE 25 HA ILE 25 -11.346 -9.861 2.990 207 HB ILE 25 HB ILE 25 -11.220 -11.427 0.399 208 1HG1 ILE 25 1HG1 ILE 25 -9.356 -9.278 1.462 209 2HG1 ILE 25 2HG1 ILE 25 -8.977 -10.993 1.346 210 1HG2 ILE 25 1HG2 ILE 25 -11.745 -8.494 0.906 211 2HG2 ILE 25 2HG2 ILE 25 -12.923 -9.685 0.354 212 3HG2 ILE 25 3HG2 ILE 25 -11.565 -9.243 -0.681 213 1HD1 ILE 25 1HD1 ILE 25 -9.522 -9.134 -0.961 214 2HD1 ILE 25 2HD1 ILE 25 -9.181 -10.859 -1.093 215 3HD1 ILE 25 3HD1 ILE 25 -7.951 -9.765 -0.464 216 H VAL 26 H VAL 26 -13.080 -10.402 4.318 217 HA VAL 26 HA VAL 26 -15.135 -12.233 3.547 218 HB VAL 26 HB VAL 26 -16.419 -11.179 5.438 219 1HG1 VAL 26 1HG1 VAL 26 -15.000 -13.139 5.799 220 2HG1 VAL 26 2HG1 VAL 26 -14.955 -12.072 7.202 221 3HG1 VAL 26 3HG1 VAL 26 -13.605 -12.093 6.067 222 1HG2 VAL 26 1HG2 VAL 26 -13.895 -9.547 5.776 223 2HG2 VAL 26 2HG2 VAL 26 -15.241 -9.609 6.914 224 3HG2 VAL 26 3HG2 VAL 26 -15.479 -8.927 5.305 225 H GLU 27 H GLU 27 -14.517 -8.867 3.037 226 HA GLU 27 HA GLU 27 -17.081 -8.611 1.611 227 1HB GLU 27 1HB GLU 27 -15.716 -6.573 3.381 228 2HB GLU 27 2HB GLU 27 -17.080 -6.201 2.328 229 1HG GLU 27 1HG GLU 27 -18.439 -7.850 3.562 230 2HG GLU 27 2HG GLU 27 -17.073 -8.153 4.633 231 H MET 28 H MET 28 -16.891 -7.993 -0.442 232 HA MET 28 HA MET 28 -14.477 -6.645 -1.378 233 1HB MET 28 1HB MET 28 -14.202 -8.377 -3.197 234 2HB MET 28 2HB MET 28 -13.783 -8.925 -1.581 235 1HG MET 28 1HG MET 28 -15.945 -10.038 -1.387 236 2HG MET 28 2HG MET 28 -16.373 -9.490 -3.010 237 1HE MET 28 1HE MET 28 -15.897 -13.265 -3.684 238 2HE MET 28 2HE MET 28 -16.927 -11.850 -3.909 239 3HE MET 28 3HE MET 28 -16.660 -12.500 -2.290 240 H GLU 29 H GLU 29 -14.737 -5.516 -3.244 241 HA GLU 29 HA GLU 29 -17.250 -4.469 -3.838 242 1HB GLU 29 1HB GLU 29 -15.093 -3.346 -4.270 243 2HB GLU 29 2HB GLU 29 -14.754 -4.490 -5.558 244 1HG GLU 29 1HG GLU 29 -15.487 -2.467 -6.560 245 2HG GLU 29 2HG GLU 29 -16.785 -3.646 -6.743 246 H ASN 30 H ASN 30 -15.284 -6.742 -5.739 247 HA ASN 30 HA ASN 30 -17.436 -7.047 -7.683 248 1HB ASN 30 1HB ASN 30 -15.041 -6.717 -8.370 249 2HB ASN 30 2HB ASN 30 -14.667 -8.283 -7.662 250 1HD2 ASN 30 1HD2 ASN 30 -16.244 -6.616 -10.270 251 2HD2 ASN 30 2HD2 ASN 30 -16.450 -7.995 -11.289 252 HA PRO 31 HA PRO 31 -19.107 -10.874 -6.050 253 1HB PRO 31 1HB PRO 31 -19.382 -12.186 -8.525 254 2HB PRO 31 2HB PRO 31 -20.595 -11.166 -7.748 255 1HG PRO 31 1HG PRO 31 -18.607 -10.469 -9.873 256 2HG PRO 31 2HG PRO 31 -20.291 -9.937 -9.692 257 1HD PRO 31 1HD PRO 31 -18.288 -8.303 -9.061 258 2HD PRO 31 2HD PRO 31 -19.741 -8.372 -8.038 259 H ALA 32 H ALA 32 -16.463 -10.931 -8.401 260 HA ALA 32 HA ALA 32 -15.549 -13.542 -7.525 261 1HB ALA 32 1HB ALA 32 -13.643 -13.137 -9.041 262 2HB ALA 32 2HB ALA 32 -14.270 -11.520 -9.369 263 3HB ALA 32 3HB ALA 32 -15.200 -12.941 -9.851 264 H LEU 33 H LEU 33 -14.053 -10.303 -7.605 265 HA LEU 33 HA LEU 33 -13.266 -10.154 -4.952 266 1HB LEU 33 1HB LEU 33 -11.948 -12.207 -5.593 267 2HB LEU 33 2HB LEU 33 -11.035 -11.205 -6.702 268 HG LEU 33 HG LEU 33 -10.163 -9.871 -4.851 269 1HD1 LEU 33 1HD1 LEU 33 -10.588 -10.518 -2.524 270 2HD1 LEU 33 2HD1 LEU 33 -11.771 -11.705 -3.072 271 3HD1 LEU 33 3HD1 LEU 33 -12.059 -9.985 -3.336 272 1HD2 LEU 33 1HD2 LEU 33 -8.757 -11.574 -3.800 273 2HD2 LEU 33 2HD2 LEU 33 -8.923 -11.859 -5.533 274 3HD2 LEU 33 3HD2 LEU 33 -9.840 -12.838 -4.387 275 H TRP 34 H TRP 34 -11.334 -9.750 -7.909 276 HA TRP 34 HA TRP 34 -10.479 -7.125 -7.192 277 1HB TRP 34 1HB TRP 34 -10.243 -8.629 -9.818 278 2HB TRP 34 2HB TRP 34 -9.389 -7.141 -9.424 279 HD1 TRP 34 HD1 TRP 34 -9.654 -10.747 -7.974 280 HE1 TRP 34 HE1 TRP 34 -7.331 -11.407 -7.088 281 HE3 TRP 34 HE3 TRP 34 -7.147 -6.386 -8.912 282 HZ2 TRP 34 HZ2 TRP 34 -4.782 -10.242 -6.821 283 HZ3 TRP 34 HZ3 TRP 34 -4.766 -6.245 -8.312 284 HH2 TRP 34 HH2 TRP 34 -3.608 -8.135 -7.288 285 H GLY 35 H GLY 35 -11.530 -5.252 -7.509 286 1HA GLY 35 1HA GLY 35 -13.175 -4.798 -9.832 287 2HA GLY 35 2HA GLY 35 -14.114 -5.006 -8.363 288 H GLY 36 H GLY 36 -12.693 -3.684 -6.467 289 1HA GLY 36 1HA GLY 36 -11.952 -1.053 -7.347 290 2HA GLY 36 2HA GLY 36 -13.586 -1.099 -6.696 291 H LYS 37 H LYS 37 -13.723 -2.292 -4.518 292 HA LYS 37 HA LYS 37 -11.339 -1.809 -2.880 293 1HB LYS 37 1HB LYS 37 -12.872 -0.914 -1.071 294 2HB LYS 37 2HB LYS 37 -12.616 0.135 -2.449 295 1HG LYS 37 1HG LYS 37 -14.908 0.295 -1.874 296 2HG LYS 37 2HG LYS 37 -14.816 -0.636 -3.366 297 1HD LYS 37 1HD LYS 37 -16.445 -1.653 -1.916 298 2HD LYS 37 2HD LYS 37 -15.048 -2.720 -2.017 299 1HE LYS 37 1HE LYS 37 -15.749 -2.660 0.263 300 2HE LYS 37 2HE LYS 37 -14.248 -1.744 0.149 301 1HZ LYS 37 1HZ LYS 37 -15.495 0.295 0.200 302 2HZ LYS 37 2HZ LYS 37 -15.941 -0.652 1.526 303 3HZ LYS 37 3HZ LYS 37 -16.966 -0.541 0.185 304 H VAL 38 H VAL 38 -11.401 -2.909 -0.794 305 HA VAL 38 HA VAL 38 -13.315 -5.081 -0.474 306 HB VAL 38 HB VAL 38 -11.542 -6.758 -0.034 307 1HG1 VAL 38 1HG1 VAL 38 -12.622 -6.726 -2.224 308 2HG1 VAL 38 2HG1 VAL 38 -10.939 -7.235 -2.354 309 3HG1 VAL 38 3HG1 VAL 38 -11.404 -5.599 -2.820 310 1HG2 VAL 38 1HG2 VAL 38 -9.237 -6.357 -0.786 311 2HG2 VAL 38 2HG2 VAL 38 -9.700 -5.258 0.513 312 3HG2 VAL 38 3HG2 VAL 38 -9.652 -4.681 -1.153 313 H THR 39 H THR 39 -12.875 -6.196 1.691 314 HA THR 39 HA THR 39 -11.550 -4.470 3.646 315 HB THR 39 HB THR 39 -14.414 -5.406 4.008 316 HG1 THR 39 HG1 THR 39 -13.298 -3.036 3.010 317 1HG2 THR 39 1HG2 THR 39 -13.157 -5.205 6.109 318 2HG2 THR 39 2HG2 THR 39 -14.383 -3.944 5.979 319 3HG2 THR 39 3HG2 THR 39 -12.690 -3.560 5.675 320 H LEU 40 H LEU 40 -10.364 -5.688 4.991 321 HA LEU 40 HA LEU 40 -10.549 -8.552 4.994 322 1HB LEU 40 1HB LEU 40 -8.901 -6.627 6.647 323 2HB LEU 40 2HB LEU 40 -8.808 -8.367 6.829 324 HG LEU 40 HG LEU 40 -6.960 -7.756 5.495 325 1HD1 LEU 40 1HD1 LEU 40 -7.358 -8.869 3.368 326 2HD1 LEU 40 2HD1 LEU 40 -9.099 -8.744 3.613 327 3HD1 LEU 40 3HD1 LEU 40 -8.125 -9.738 4.695 328 1HD2 LEU 40 1HD2 LEU 40 -7.657 -5.511 4.880 329 2HD2 LEU 40 2HD2 LEU 40 -8.831 -6.169 3.740 330 3HD2 LEU 40 3HD2 LEU 40 -7.105 -6.408 3.467 331 H ALA 41 H ALA 41 -10.903 -9.859 6.903 332 HA ALA 41 HA ALA 41 -13.363 -9.331 8.111 333 1HB ALA 41 1HB ALA 41 -12.975 -11.333 9.427 334 2HB ALA 41 2HB ALA 41 -11.255 -11.282 9.036 335 3HB ALA 41 3HB ALA 41 -12.440 -11.582 7.764 336 H ASN 42 H ASN 42 -10.245 -8.244 9.061 337 HA ASN 42 HA ASN 42 -11.037 -7.773 11.829 338 1HB ASN 42 1HB ASN 42 -8.449 -7.344 10.336 339 2HB ASN 42 2HB ASN 42 -8.696 -6.742 11.973 340 1HD2 ASN 42 1HD2 ASN 42 -6.827 -8.741 10.974 341 2HD2 ASN 42 2HD2 ASN 42 -7.147 -10.190 11.855 342 H GLY 43 H GLY 43 -11.865 -6.313 9.129 343 1HA GLY 43 1HA GLY 43 -12.954 -4.293 8.866 344 2HA GLY 43 2HA GLY 43 -12.473 -3.854 10.498 345 H TRP 44 H TRP 44 -10.191 -4.848 8.040 346 HA TRP 44 HA TRP 44 -9.158 -2.089 7.921 347 1HB TRP 44 1HB TRP 44 -7.689 -4.082 8.713 348 2HB TRP 44 2HB TRP 44 -7.667 -4.564 7.022 349 HD1 TRP 44 HD1 TRP 44 -6.290 -1.934 9.412 350 HE1 TRP 44 HE1 TRP 44 -4.407 -0.632 8.240 351 HE3 TRP 44 HE3 TRP 44 -6.845 -3.783 4.677 352 HZ2 TRP 44 HZ2 TRP 44 -3.310 -0.406 5.654 353 HZ3 TRP 44 HZ3 TRP 44 -5.341 -2.966 2.913 354 HH2 TRP 44 HH2 TRP 44 -3.610 -1.311 3.391 355 H GLN 45 H GLN 45 -9.710 -1.020 6.094 356 HA GLN 45 HA GLN 45 -10.737 -2.515 3.824 357 1HB GLN 45 1HB GLN 45 -10.565 0.471 4.286 358 2HB GLN 45 2HB GLN 45 -11.299 -0.284 2.880 359 1HG GLN 45 1HG GLN 45 -13.077 0.296 4.286 360 2HG GLN 45 2HG GLN 45 -12.877 -1.441 4.483 361 1HE2 GLN 45 1HE2 GLN 45 -12.305 1.682 5.938 362 2HE2 GLN 45 2HE2 GLN 45 -12.155 1.113 7.562 363 H LEU 46 H LEU 46 -9.886 -2.612 1.838 364 HA LEU 46 HA LEU 46 -7.327 -1.282 1.279 365 1HB LEU 46 1HB LEU 46 -6.773 -3.528 2.042 366 2HB LEU 46 2HB LEU 46 -7.948 -4.227 0.945 367 HG LEU 46 HG LEU 46 -6.574 -3.386 -0.974 368 1HD1 LEU 46 1HD1 LEU 46 -5.414 -1.571 0.148 369 2HD1 LEU 46 2HD1 LEU 46 -4.261 -2.709 -0.547 370 3HD1 LEU 46 3HD1 LEU 46 -4.577 -2.723 1.189 371 1HD2 LEU 46 1HD2 LEU 46 -6.410 -5.697 -0.218 372 2HD2 LEU 46 2HD2 LEU 46 -5.175 -5.241 0.956 373 3HD2 LEU 46 3HD2 LEU 46 -4.845 -5.106 -0.772 374 H GLU 47 H GLU 47 -7.161 -0.583 -0.821 375 HA GLU 47 HA GLU 47 -9.476 -0.841 -2.533 376 1HB GLU 47 1HB GLU 47 -8.140 1.267 -2.351 377 2HB GLU 47 2HB GLU 47 -6.796 0.439 -3.124 378 1HG GLU 47 1HG GLU 47 -8.235 0.052 -5.106 379 2HG GLU 47 2HG GLU 47 -9.499 1.006 -4.328 380 H LEU 48 H LEU 48 -9.684 -2.181 -4.264 381 HA LEU 48 HA LEU 48 -7.356 -3.781 -5.087 382 1HB LEU 48 1HB LEU 48 -8.850 -5.012 -3.449 383 2HB LEU 48 2HB LEU 48 -10.107 -4.955 -4.667 384 HG LEU 48 HG LEU 48 -8.686 -6.251 -6.208 385 1HD1 LEU 48 1HD1 LEU 48 -6.627 -7.301 -5.394 386 2HD1 LEU 48 2HD1 LEU 48 -6.756 -6.390 -3.889 387 3HD1 LEU 48 3HD1 LEU 48 -6.496 -5.543 -5.414 388 1HD2 LEU 48 1HD2 LEU 48 -10.265 -7.420 -4.757 389 2HD2 LEU 48 2HD2 LEU 48 -9.029 -7.551 -3.504 390 3HD2 LEU 48 3HD2 LEU 48 -8.819 -8.390 -5.042 391 HA PRO 49 HA PRO 49 -9.114 -1.876 -8.837 392 1HB PRO 49 1HB PRO 49 -6.612 -3.012 -9.976 393 2HB PRO 49 2HB PRO 49 -7.241 -1.363 -10.061 394 1HG PRO 49 1HG PRO 49 -5.162 -1.953 -8.494 395 2HG PRO 49 2HG PRO 49 -6.398 -0.791 -7.972 396 1HD PRO 49 1HD PRO 49 -6.034 -3.659 -7.170 397 2HD PRO 49 2HD PRO 49 -6.469 -2.256 -6.169 398 H ALA 50 H ALA 50 -9.913 -2.708 -10.822 399 HA ALA 50 HA ALA 50 -10.576 -5.507 -10.763 400 1HB ALA 50 1HB ALA 50 -11.887 -5.033 -12.773 401 2HB ALA 50 2HB ALA 50 -11.173 -3.422 -12.870 402 3HB ALA 50 3HB ALA 50 -12.213 -3.846 -11.510 403 H MET 51 H MET 51 -8.459 -6.402 -10.896 404 HA MET 51 HA MET 51 -7.230 -6.265 -13.576 405 1HB MET 51 1HB MET 51 -5.956 -6.939 -10.909 406 2HB MET 51 2HB MET 51 -5.130 -7.000 -12.460 407 1HG MET 51 1HG MET 51 -6.308 -4.534 -11.190 408 2HG MET 51 2HG MET 51 -4.598 -4.964 -11.229 409 1HE MET 51 1HE MET 51 -4.032 -2.565 -12.251 410 2HE MET 51 2HE MET 51 -5.744 -2.140 -12.221 411 3HE MET 51 3HE MET 51 -4.805 -1.915 -13.696 412 H ALA 52 H ALA 52 -5.690 -8.440 -13.628 413 HA ALA 52 HA ALA 52 -7.492 -10.480 -14.328 414 1HB ALA 52 1HB ALA 52 -5.307 -10.173 -15.396 415 2HB ALA 52 2HB ALA 52 -5.509 -11.819 -14.794 416 3HB ALA 52 3HB ALA 52 -4.507 -10.671 -13.903 417 H ALA 53 H ALA 53 -8.732 -11.325 -12.741 418 HA ALA 53 HA ALA 53 -7.617 -12.221 -10.223 419 1HB ALA 53 1HB ALA 53 -9.888 -11.296 -10.312 420 2HB ALA 53 2HB ALA 53 -9.899 -12.959 -9.726 421 3HB ALA 53 3HB ALA 53 -10.385 -12.606 -11.384 422 H ASP 54 H ASP 54 -8.052 -13.442 -13.367 423 HA ASP 54 HA ASP 54 -8.369 -16.218 -12.747 424 1HB ASP 54 1HB ASP 54 -8.089 -16.599 -15.112 425 2HB ASP 54 2HB ASP 54 -9.076 -15.156 -14.907 426 H THR 55 H THR 55 -5.774 -14.191 -12.366 427 HA THR 55 HA THR 55 -3.579 -15.604 -13.320 428 HB THR 55 HB THR 55 -3.411 -13.319 -12.416 429 HG1 THR 55 HG1 THR 55 -1.379 -13.734 -12.042 430 1HG2 THR 55 1HG2 THR 55 -3.319 -12.927 -9.998 431 2HG2 THR 55 2HG2 THR 55 -3.726 -14.616 -9.700 432 3HG2 THR 55 3HG2 THR 55 -4.899 -13.551 -10.477 433 HA PRO 56 HA PRO 56 -3.724 -19.183 -10.671 434 1HB PRO 56 1HB PRO 56 -1.648 -20.510 -11.656 435 2HB PRO 56 2HB PRO 56 -3.034 -20.143 -12.694 436 1HG PRO 56 1HG PRO 56 -0.392 -18.728 -12.497 437 2HG PRO 56 2HG PRO 56 -1.291 -19.211 -13.949 438 1HD PRO 56 1HD PRO 56 -1.350 -16.678 -12.842 439 2HD PRO 56 2HD PRO 56 -2.627 -17.350 -13.875 440 H LEU 57 H LEU 57 -1.845 -16.650 -10.036 441 HA LEU 57 HA LEU 57 -0.457 -18.007 -7.848 442 1HB LEU 57 1HB LEU 57 1.575 -16.540 -8.336 443 2HB LEU 57 2HB LEU 57 1.306 -17.920 -9.382 444 HG LEU 57 HG LEU 57 0.201 -16.263 -11.010 445 1HD1 LEU 57 1HD1 LEU 57 1.681 -14.279 -9.286 446 2HD1 LEU 57 2HD1 LEU 57 -0.068 -14.383 -9.489 447 3HD1 LEU 57 3HD1 LEU 57 0.955 -13.943 -10.856 448 1HD2 LEU 57 1HD2 LEU 57 3.162 -16.069 -10.454 449 2HD2 LEU 57 2HD2 LEU 57 2.365 -15.626 -11.964 450 3HD2 LEU 57 3HD2 LEU 57 2.359 -17.304 -11.425 451 HA PRO 58 HA PRO 58 -1.787 -14.485 -5.488 452 1HB PRO 58 1HB PRO 58 0.113 -14.398 -3.544 453 2HB PRO 58 2HB PRO 58 -1.143 -15.641 -3.592 454 1HG PRO 58 1HG PRO 58 1.711 -15.797 -4.495 455 2HG PRO 58 2HG PRO 58 0.756 -16.989 -3.593 456 1HD PRO 58 1HD PRO 58 1.208 -17.179 -6.270 457 2HD PRO 58 2HD PRO 58 -0.268 -17.794 -5.499 458 H ILE 59 H ILE 59 -1.580 -12.658 -6.677 459 HA ILE 59 HA ILE 59 1.050 -11.620 -7.361 460 HB ILE 59 HB ILE 59 -0.578 -11.604 -9.133 461 1HG1 ILE 59 1HG1 ILE 59 -0.093 -8.791 -8.100 462 2HG1 ILE 59 2HG1 ILE 59 0.995 -9.726 -9.118 463 1HG2 ILE 59 1HG2 ILE 59 -2.613 -11.595 -7.806 464 2HG2 ILE 59 2HG2 ILE 59 -2.660 -10.316 -9.018 465 3HG2 ILE 59 3HG2 ILE 59 -2.321 -9.921 -7.333 466 1HD1 ILE 59 1HD1 ILE 59 -0.177 -8.067 -10.420 467 2HD1 ILE 59 2HD1 ILE 59 -1.731 -8.708 -9.888 468 3HD1 ILE 59 3HD1 ILE 59 -0.678 -9.685 -10.914 469 H THR 60 H THR 60 1.941 -9.777 -6.602 470 HA THR 60 HA THR 60 0.714 -8.524 -4.261 471 HB THR 60 HB THR 60 3.506 -8.213 -5.403 472 HG1 THR 60 HG1 THR 60 3.347 -10.259 -4.591 473 1HG2 THR 60 1HG2 THR 60 4.045 -7.192 -3.233 474 2HG2 THR 60 2HG2 THR 60 2.353 -7.318 -2.752 475 3HG2 THR 60 3HG2 THR 60 2.815 -6.263 -4.089 476 H VAL 61 H VAL 61 -0.111 -6.512 -4.316 477 HA VAL 61 HA VAL 61 0.444 -4.800 -6.650 478 HB VAL 61 HB VAL 61 -1.895 -4.033 -6.620 479 1HG1 VAL 61 1HG1 VAL 61 -1.255 -5.826 -8.145 480 2HG1 VAL 61 2HG1 VAL 61 -2.919 -6.034 -7.596 481 3HG1 VAL 61 3HG1 VAL 61 -1.632 -7.029 -6.911 482 1HG2 VAL 61 1HG2 VAL 61 -2.316 -6.196 -4.548 483 2HG2 VAL 61 2HG2 VAL 61 -3.597 -5.277 -5.340 484 3HG2 VAL 61 3HG2 VAL 61 -2.447 -4.456 -4.286 485 H GLU 62 H GLU 62 -0.467 -2.495 -6.148 486 HA GLU 62 HA GLU 62 0.950 -1.539 -3.852 487 1HB GLU 62 1HB GLU 62 -0.821 -0.144 -5.873 488 2HB GLU 62 2HB GLU 62 -0.019 0.701 -4.557 489 1HG GLU 62 1HG GLU 62 1.243 0.969 -6.583 490 2HG GLU 62 2HG GLU 62 2.161 -0.013 -5.446 491 H ALA 63 H ALA 63 0.200 -1.316 -1.853 492 HA ALA 63 HA ALA 63 -2.576 -1.900 -1.281 493 1HB ALA 63 1HB ALA 63 -0.771 -2.855 0.092 494 2HB ALA 63 2HB ALA 63 -1.895 -1.897 1.054 495 3HB ALA 63 3HB ALA 63 -0.321 -1.233 0.619 496 H ARG 64 H ARG 64 -4.003 -0.274 -1.586 497 HA ARG 64 HA ARG 64 -3.357 2.380 -0.488 498 1HB ARG 64 1HB ARG 64 -5.622 1.521 -2.308 499 2HB ARG 64 2HB ARG 64 -5.467 3.130 -1.624 500 1HG ARG 64 1HG ARG 64 -4.613 3.389 -3.757 501 2HG ARG 64 2HG ARG 64 -3.158 3.164 -2.785 502 1HD ARG 64 1HD ARG 64 -3.133 0.781 -3.420 503 2HD ARG 64 2HD ARG 64 -4.555 1.049 -4.429 504 HE ARG 64 HE ARG 64 -1.873 2.182 -4.912 505 1HH1 ARG 64 1HH1 ARG 64 -5.090 1.414 -6.073 506 2HH1 ARG 64 2HH1 ARG 64 -4.662 1.588 -7.744 507 1HH2 ARG 64 1HH2 ARG 64 -1.311 2.426 -7.106 508 2HH2 ARG 64 2HH2 ARG 64 -2.506 2.156 -8.330 509 H LYS 65 H LYS 65 -3.925 2.666 1.550 510 HA LYS 65 HA LYS 65 -5.952 1.072 2.836 511 1HB LYS 65 1HB LYS 65 -4.070 1.647 4.185 512 2HB LYS 65 2HB LYS 65 -4.191 3.347 3.760 513 1HG LYS 65 1HG LYS 65 -4.919 2.915 6.059 514 2HG LYS 65 2HG LYS 65 -6.222 3.569 5.069 515 1HD LYS 65 1HD LYS 65 -7.180 1.338 4.820 516 2HD LYS 65 2HD LYS 65 -5.846 0.645 5.743 517 1HE LYS 65 1HE LYS 65 -7.828 0.889 7.142 518 2HE LYS 65 2HE LYS 65 -6.531 1.940 7.710 519 1HZ LYS 65 1HZ LYS 65 -7.623 3.786 6.525 520 2HZ LYS 65 2HZ LYS 65 -8.600 3.121 7.732 521 3HZ LYS 65 3HZ LYS 65 -8.899 2.755 6.111 522 H LEU 66 H LEU 66 -8.033 1.535 2.972 523 HA LEU 66 HA LEU 66 -8.979 4.167 2.089 524 1HB LEU 66 1HB LEU 66 -10.438 1.545 2.460 525 2HB LEU 66 2HB LEU 66 -11.183 3.030 1.901 526 HG LEU 66 HG LEU 66 -8.984 1.527 0.459 527 1HD1 LEU 66 1HD1 LEU 66 -10.702 0.951 -1.172 528 2HD1 LEU 66 2HD1 LEU 66 -11.925 1.750 -0.181 529 3HD1 LEU 66 3HD1 LEU 66 -11.100 0.312 0.424 530 1HD2 LEU 66 1HD2 LEU 66 -9.441 3.072 -1.396 531 2HD2 LEU 66 2HD2 LEU 66 -8.866 3.924 0.038 532 3HD2 LEU 66 3HD2 LEU 66 -10.580 3.954 -0.377 Start of MODEL 19 1 H MET 1 H MET 1 2.791 2.644 -1.968 2 HA MET 1 HA MET 1 3.005 0.806 -0.426 3 1HB MET 1 1HB MET 1 0.200 1.175 -1.518 4 2HB MET 1 2HB MET 1 0.592 0.512 0.064 5 1HG MET 1 1HG MET 1 -0.083 2.808 0.290 6 2HG MET 1 2HG MET 1 1.629 2.657 0.682 7 1HE MET 1 1HE MET 1 1.887 5.310 0.478 8 2HE MET 1 2HE MET 1 0.176 5.453 0.072 9 3HE MET 1 3HE MET 1 1.390 6.231 -0.942 10 H LYS 2 H LYS 2 2.726 -1.396 0.046 11 HA LYS 2 HA LYS 2 2.419 -3.091 -2.357 12 1HB LYS 2 1HB LYS 2 4.767 -2.868 -1.727 13 2HB LYS 2 2HB LYS 2 4.399 -3.372 -0.084 14 1HG LYS 2 1HG LYS 2 3.773 -5.586 -0.877 15 2HG LYS 2 2HG LYS 2 4.065 -5.086 -2.544 16 1HD LYS 2 1HD LYS 2 6.144 -5.191 -0.348 17 2HD LYS 2 2HD LYS 2 5.945 -6.388 -1.629 18 1HE LYS 2 1HE LYS 2 6.418 -4.648 -3.307 19 2HE LYS 2 2HE LYS 2 6.643 -3.472 -2.013 20 1HZ LYS 2 1HZ LYS 2 8.488 -4.803 -1.188 21 2HZ LYS 2 2HZ LYS 2 8.750 -4.319 -2.785 22 3HZ LYS 2 3HZ LYS 2 8.279 -5.909 -2.451 23 H VAL 3 H VAL 3 0.991 -4.695 -2.223 24 HA VAL 3 HA VAL 3 0.518 -6.032 0.336 25 HB VAL 3 HB VAL 3 -1.268 -4.308 0.148 26 1HG1 VAL 3 1HG1 VAL 3 -1.434 -4.183 -2.284 27 2HG1 VAL 3 2HG1 VAL 3 -3.009 -4.518 -1.564 28 3HG1 VAL 3 3HG1 VAL 3 -2.097 -5.818 -2.335 29 1HG2 VAL 3 1HG2 VAL 3 -3.170 -5.813 0.552 30 2HG2 VAL 3 2HG2 VAL 3 -1.711 -6.372 1.370 31 3HG2 VAL 3 3HG2 VAL 3 -2.245 -7.158 -0.116 32 H MET 4 H MET 4 0.027 -8.209 0.111 33 HA MET 4 HA MET 4 -0.003 -9.255 -2.651 34 1HB MET 4 1HB MET 4 1.979 -9.973 -1.407 35 2HB MET 4 2HB MET 4 0.969 -10.578 -0.100 36 1HG MET 4 1HG MET 4 -0.006 -12.233 -1.641 37 2HG MET 4 2HG MET 4 1.055 -11.645 -2.920 38 1HE MET 4 1HE MET 4 3.799 -11.115 -1.268 39 2HE MET 4 2HE MET 4 3.679 -11.843 -2.870 40 3HE MET 4 3HE MET 4 4.593 -12.655 -1.598 41 H ILE 5 H ILE 5 -1.903 -10.043 -3.280 42 HA ILE 5 HA ILE 5 -3.927 -10.739 -1.297 43 HB ILE 5 HB ILE 5 -4.116 -10.662 -4.323 44 1HG1 ILE 5 1HG1 ILE 5 -3.724 -8.435 -3.363 45 2HG1 ILE 5 2HG1 ILE 5 -5.365 -8.559 -3.984 46 1HG2 ILE 5 1HG2 ILE 5 -6.555 -10.746 -3.965 47 2HG2 ILE 5 2HG2 ILE 5 -6.286 -10.965 -2.236 48 3HG2 ILE 5 3HG2 ILE 5 -5.747 -12.198 -3.376 49 1HD1 ILE 5 1HD1 ILE 5 -6.184 -8.903 -1.699 50 2HD1 ILE 5 2HD1 ILE 5 -5.327 -7.374 -1.880 51 3HD1 ILE 5 3HD1 ILE 5 -4.535 -8.739 -1.094 52 H ARG 6 H ARG 6 -4.052 -12.741 -0.565 53 HA ARG 6 HA ARG 6 -2.831 -14.934 -2.080 54 1HB ARG 6 1HB ARG 6 -3.796 -14.875 0.792 55 2HB ARG 6 2HB ARG 6 -2.888 -16.173 0.026 56 1HG ARG 6 1HG ARG 6 -0.981 -14.632 -0.268 57 2HG ARG 6 2HG ARG 6 -1.893 -13.374 0.571 58 1HD ARG 6 1HD ARG 6 -0.315 -14.496 2.076 59 2HD ARG 6 2HD ARG 6 -1.986 -14.764 2.578 60 HE ARG 6 HE ARG 6 -1.095 -16.858 0.886 61 1HH1 ARG 6 1HH1 ARG 6 -0.756 -15.664 4.169 62 2HH1 ARG 6 2HH1 ARG 6 -0.459 -17.240 4.832 63 1HH2 ARG 6 1HH2 ARG 6 -0.710 -18.921 1.764 64 2HH2 ARG 6 2HH2 ARG 6 -0.419 -19.086 3.466 65 H LYS 7 H LYS 7 -3.948 -16.879 -2.464 66 HA LYS 7 HA LYS 7 -6.863 -16.830 -2.049 67 1HB LYS 7 1HB LYS 7 -5.524 -17.669 -4.633 68 2HB LYS 7 2HB LYS 7 -7.248 -17.682 -4.302 69 1HG LYS 7 1HG LYS 7 -7.161 -15.200 -4.073 70 2HG LYS 7 2HG LYS 7 -5.469 -15.261 -4.579 71 1HD LYS 7 1HD LYS 7 -7.883 -16.132 -6.179 72 2HD LYS 7 2HD LYS 7 -6.842 -14.743 -6.497 73 1HE LYS 7 1HE LYS 7 -4.978 -16.201 -7.004 74 2HE LYS 7 2HE LYS 7 -5.919 -17.621 -6.546 75 1HZ LYS 7 1HZ LYS 7 -5.831 -17.341 -8.942 76 2HZ LYS 7 2HZ LYS 7 -6.538 -15.810 -8.812 77 3HZ LYS 7 3HZ LYS 7 -7.420 -17.187 -8.376 78 H THR 8 H THR 8 -7.823 -18.800 -1.783 79 HA THR 8 HA THR 8 -6.295 -21.261 -2.177 80 HB THR 8 HB THR 8 -7.253 -22.159 0.002 81 HG1 THR 8 HG1 THR 8 -7.730 -19.379 0.432 82 1HG2 THR 8 1HG2 THR 8 -5.274 -19.887 0.260 83 2HG2 THR 8 2HG2 THR 8 -4.883 -21.552 -0.170 84 3HG2 THR 8 3HG2 THR 8 -5.519 -21.180 1.433 85 H ALA 9 H ALA 9 -8.233 -23.060 -1.341 86 HA ALA 9 HA ALA 9 -10.166 -22.988 -3.367 87 1HB ALA 9 1HB ALA 9 -10.284 -24.494 -0.752 88 2HB ALA 9 2HB ALA 9 -9.491 -25.051 -2.224 89 3HB ALA 9 3HB ALA 9 -11.241 -24.837 -2.194 90 H THR 10 H THR 10 -11.212 -21.026 -3.402 91 HA THR 10 HA THR 10 -12.931 -19.596 -3.051 92 HB THR 10 HB THR 10 -13.709 -21.380 -0.730 93 HG1 THR 10 HG1 THR 10 -14.090 -22.551 -2.516 94 1HG2 THR 10 1HG2 THR 10 -15.897 -20.261 -0.862 95 2HG2 THR 10 2HG2 THR 10 -15.267 -19.173 -2.098 96 3HG2 THR 10 3HG2 THR 10 -14.617 -19.114 -0.460 97 H GLY 11 H GLY 11 -11.176 -20.557 -0.121 98 1HA GLY 11 1HA GLY 11 -11.622 -18.226 1.376 99 2HA GLY 11 2HA GLY 11 -10.268 -19.327 1.576 100 H HIS 12 H HIS 12 -11.066 -16.223 0.904 101 HA HIS 12 HA HIS 12 -8.581 -15.722 -0.606 102 1HB HIS 12 1HB HIS 12 -10.909 -13.820 -0.199 103 2HB HIS 12 2HB HIS 12 -9.551 -13.616 -1.298 104 HD1 HIS 12 HD1 HIS 12 -12.974 -14.592 -1.283 105 HD2 HIS 12 HD2 HIS 12 -9.598 -15.828 -3.369 106 HE1 HIS 12 HE1 HIS 12 -13.838 -15.761 -3.332 107 HE2 HIS 12 HE2 HIS 12 -11.778 -16.326 -4.669 108 H SER 13 H SER 13 -7.120 -14.165 0.196 109 HA SER 13 HA SER 13 -7.717 -12.821 2.698 110 1HB SER 13 1HB SER 13 -5.546 -13.703 3.716 111 2HB SER 13 2HB SER 13 -6.889 -14.841 3.641 112 HG SER 13 HG SER 13 -4.666 -15.513 2.896 113 H ALA 14 H ALA 14 -6.019 -11.266 3.299 114 HA ALA 14 HA ALA 14 -4.354 -10.427 1.011 115 1HB ALA 14 1HB ALA 14 -4.927 -8.092 1.468 116 2HB ALA 14 2HB ALA 14 -6.014 -8.602 2.761 117 3HB ALA 14 3HB ALA 14 -6.372 -9.031 1.088 118 H TYR 15 H TYR 15 -2.311 -9.952 1.526 119 HA TYR 15 HA TYR 15 -1.606 -9.774 4.383 120 1HB TYR 15 1HB TYR 15 -0.920 -11.931 3.429 121 2HB TYR 15 2HB TYR 15 -0.038 -11.100 2.152 122 HD1 TYR 15 HD1 TYR 15 2.246 -11.446 2.469 123 HD2 TYR 15 HD2 TYR 15 -0.180 -10.595 5.862 124 HE1 TYR 15 HE1 TYR 15 4.251 -11.419 3.892 125 HE2 TYR 15 HE2 TYR 15 1.817 -10.570 7.290 126 HH TYR 15 HH TYR 15 4.059 -11.351 7.343 127 H VAL 16 H VAL 16 -1.258 -7.651 4.671 128 HA VAL 16 HA VAL 16 0.259 -6.039 2.816 129 HB VAL 16 HB VAL 16 -0.520 -5.408 5.681 130 1HG1 VAL 16 1HG1 VAL 16 -0.203 -3.063 5.013 131 2HG1 VAL 16 2HG1 VAL 16 0.332 -3.591 3.418 132 3HG1 VAL 16 3HG1 VAL 16 1.286 -3.993 4.846 133 1HG2 VAL 16 1HG2 VAL 16 -1.973 -4.737 3.113 134 2HG2 VAL 16 2HG2 VAL 16 -2.415 -4.168 4.723 135 3HG2 VAL 16 3HG2 VAL 16 -2.506 -5.888 4.340 136 H ALA 17 H ALA 17 2.230 -7.007 2.600 137 HA ALA 17 HA ALA 17 3.710 -8.370 4.456 138 1HB ALA 17 1HB ALA 17 5.626 -8.067 2.978 139 2HB ALA 17 2HB ALA 17 4.787 -6.757 2.143 140 3HB ALA 17 3HB ALA 17 4.160 -8.404 2.057 141 H LYS 18 H LYS 18 3.993 -4.895 3.700 142 HA LYS 18 HA LYS 18 6.275 -4.449 5.271 143 1HB LYS 18 1HB LYS 18 5.828 -2.080 4.998 144 2HB LYS 18 2HB LYS 18 5.537 -2.925 3.489 145 1HG LYS 18 1HG LYS 18 3.757 -1.471 3.560 146 2HG LYS 18 2HG LYS 18 3.045 -2.921 4.268 147 1HD LYS 18 1HD LYS 18 3.343 -2.024 6.502 148 2HD LYS 18 2HD LYS 18 4.211 -0.628 5.864 149 1HE LYS 18 1HE LYS 18 1.327 -1.296 5.262 150 2HE LYS 18 2HE LYS 18 1.858 -0.134 6.474 151 1HZ LYS 18 1HZ LYS 18 2.291 0.039 3.546 152 2HZ LYS 18 2HZ LYS 18 2.969 1.101 4.668 153 3HZ LYS 18 3HZ LYS 18 1.290 1.025 4.489 154 H LYS 19 H LYS 19 2.977 -4.816 6.184 155 HA LYS 19 HA LYS 19 3.523 -3.695 8.857 156 1HB LYS 19 1HB LYS 19 1.586 -2.743 7.584 157 2HB LYS 19 2HB LYS 19 0.835 -4.335 7.608 158 1HG LYS 19 1HG LYS 19 0.839 -4.249 10.090 159 2HG LYS 19 2HG LYS 19 1.476 -2.605 10.000 160 1HD LYS 19 1HD LYS 19 -0.538 -1.934 8.721 161 2HD LYS 19 2HD LYS 19 -1.173 -3.571 8.908 162 1HE LYS 19 1HE LYS 19 -0.548 -1.633 11.143 163 2HE LYS 19 2HE LYS 19 -2.156 -2.054 10.555 164 1HZ LYS 19 1HZ LYS 19 -0.256 -4.011 11.733 165 2HZ LYS 19 2HZ LYS 19 -1.876 -4.279 11.333 166 3HZ LYS 19 3HZ LYS 19 -1.480 -3.240 12.604 167 H ASP 20 H ASP 20 3.136 -6.583 7.138 168 HA ASP 20 HA ASP 20 3.016 -8.773 7.707 169 1HB ASP 20 1HB ASP 20 4.649 -8.232 9.477 170 2HB ASP 20 2HB ASP 20 3.337 -7.782 10.558 171 H LEU 21 H LEU 21 0.718 -6.872 7.655 172 HA LEU 21 HA LEU 21 -1.258 -8.042 9.432 173 1HB LEU 21 1HB LEU 21 -1.216 -5.604 8.751 174 2HB LEU 21 2HB LEU 21 -1.669 -6.103 7.136 175 HG LEU 21 HG LEU 21 -3.372 -6.567 9.603 176 1HD1 LEU 21 1HD1 LEU 21 -3.599 -4.432 7.477 177 2HD1 LEU 21 2HD1 LEU 21 -3.155 -4.180 9.166 178 3HD1 LEU 21 3HD1 LEU 21 -4.777 -4.739 8.753 179 1HD2 LEU 21 1HD2 LEU 21 -5.180 -6.977 7.975 180 2HD2 LEU 21 2HD2 LEU 21 -3.883 -8.160 7.847 181 3HD2 LEU 21 3HD2 LEU 21 -4.007 -6.861 6.662 182 H GLU 22 H GLU 22 -2.305 -9.876 8.933 183 HA GLU 22 HA GLU 22 -3.000 -10.363 6.119 184 1HB GLU 22 1HB GLU 22 -1.070 -11.834 6.792 185 2HB GLU 22 2HB GLU 22 -2.112 -12.560 8.008 186 1HG GLU 22 1HG GLU 22 -3.612 -13.379 6.290 187 2HG GLU 22 2HG GLU 22 -2.665 -12.572 5.042 188 H GLU 23 H GLU 23 -5.140 -10.364 5.971 189 HA GLU 23 HA GLU 23 -6.706 -11.667 8.095 190 1HB GLU 23 1HB GLU 23 -6.744 -9.097 8.267 191 2HB GLU 23 2HB GLU 23 -7.622 -9.124 6.753 192 1HG GLU 23 1HG GLU 23 -9.090 -8.921 8.720 193 2HG GLU 23 2HG GLU 23 -9.443 -10.329 7.722 194 H LEU 24 H LEU 24 -8.805 -12.372 7.408 195 HA LEU 24 HA LEU 24 -8.783 -13.477 4.756 196 1HB LEU 24 1HB LEU 24 -10.962 -13.515 6.855 197 2HB LEU 24 2HB LEU 24 -10.902 -14.518 5.417 198 HG LEU 24 HG LEU 24 -8.947 -14.634 7.723 199 1HD1 LEU 24 1HD1 LEU 24 -9.960 -16.811 8.189 200 2HD1 LEU 24 2HD1 LEU 24 -11.140 -16.538 6.906 201 3HD1 LEU 24 3HD1 LEU 24 -11.131 -15.502 8.334 202 1HD2 LEU 24 1HD2 LEU 24 -8.072 -16.636 6.607 203 2HD2 LEU 24 2HD2 LEU 24 -7.869 -15.197 5.611 204 3HD2 LEU 24 3HD2 LEU 24 -9.154 -16.349 5.244 205 H ILE 25 H ILE 25 -10.007 -12.900 3.027 206 HA ILE 25 HA ILE 25 -11.266 -10.292 3.029 207 HB ILE 25 HB ILE 25 -10.801 -12.363 0.874 208 1HG1 ILE 25 1HG1 ILE 25 -9.649 -9.588 1.308 209 2HG1 ILE 25 2HG1 ILE 25 -8.819 -11.108 1.625 210 1HG2 ILE 25 1HG2 ILE 25 -12.178 -9.691 0.608 211 2HG2 ILE 25 2HG2 ILE 25 -12.891 -11.283 0.342 212 3HG2 ILE 25 3HG2 ILE 25 -11.636 -10.686 -0.744 213 1HD1 ILE 25 1HD1 ILE 25 -8.073 -10.123 -0.457 214 2HD1 ILE 25 2HD1 ILE 25 -9.726 -10.116 -1.070 215 3HD1 ILE 25 3HD1 ILE 25 -8.907 -11.646 -0.758 216 H VAL 26 H VAL 26 -13.327 -10.068 3.671 217 HA VAL 26 HA VAL 26 -15.127 -12.387 3.482 218 HB VAL 26 HB VAL 26 -16.583 -11.138 5.095 219 1HG1 VAL 26 1HG1 VAL 26 -13.755 -11.706 5.991 220 2HG1 VAL 26 2HG1 VAL 26 -15.069 -12.877 5.865 221 3HG1 VAL 26 3HG1 VAL 26 -15.157 -11.574 7.051 222 1HG2 VAL 26 1HG2 VAL 26 -14.215 -9.261 5.271 223 2HG2 VAL 26 2HG2 VAL 26 -15.619 -9.249 6.337 224 3HG2 VAL 26 3HG2 VAL 26 -15.808 -8.861 4.627 225 H GLU 27 H GLU 27 -15.006 -8.909 2.736 226 HA GLU 27 HA GLU 27 -17.261 -9.324 0.882 227 1HB GLU 27 1HB GLU 27 -16.845 -7.030 2.806 228 2HB GLU 27 2HB GLU 27 -17.954 -6.947 1.444 229 1HG GLU 27 1HG GLU 27 -18.105 -8.900 3.733 230 2HG GLU 27 2HG GLU 27 -19.113 -7.470 3.516 231 H MET 28 H MET 28 -16.779 -8.801 -1.118 232 HA MET 28 HA MET 28 -14.676 -6.790 -1.625 233 1HB MET 28 1HB MET 28 -15.736 -8.844 -3.584 234 2HB MET 28 2HB MET 28 -14.328 -7.812 -3.782 235 1HG MET 28 1HG MET 28 -13.560 -10.007 -3.312 236 2HG MET 28 2HG MET 28 -13.262 -9.026 -1.879 237 1HE MET 28 1HE MET 28 -15.580 -11.747 -3.520 238 2HE MET 28 2HE MET 28 -16.718 -10.471 -3.078 239 3HE MET 28 3HE MET 28 -16.759 -12.021 -2.236 240 H GLU 29 H GLU 29 -15.099 -5.465 -3.619 241 HA GLU 29 HA GLU 29 -17.859 -4.572 -3.724 242 1HB GLU 29 1HB GLU 29 -15.994 -2.951 -3.741 243 2HB GLU 29 2HB GLU 29 -15.417 -3.629 -5.255 244 1HG GLU 29 1HG GLU 29 -17.287 -2.805 -6.450 245 2HG GLU 29 2HG GLU 29 -18.156 -2.418 -4.964 246 H ASN 30 H ASN 30 -15.983 -6.893 -5.200 247 HA ASN 30 HA ASN 30 -17.895 -7.179 -7.420 248 1HB ASN 30 1HB ASN 30 -14.925 -7.811 -7.498 249 2HB ASN 30 2HB ASN 30 -16.069 -8.106 -8.803 250 1HD2 ASN 30 1HD2 ASN 30 -16.838 -6.372 -10.013 251 2HD2 ASN 30 2HD2 ASN 30 -16.098 -4.809 -9.958 252 HA PRO 31 HA PRO 31 -18.877 -11.061 -5.598 253 1HB PRO 31 1HB PRO 31 -19.286 -12.574 -7.896 254 2HB PRO 31 2HB PRO 31 -20.481 -11.503 -7.158 255 1HG PRO 31 1HG PRO 31 -18.638 -10.986 -9.460 256 2HG PRO 31 2HG PRO 31 -20.338 -10.518 -9.256 257 1HD PRO 31 1HD PRO 31 -18.366 -8.743 -8.909 258 2HD PRO 31 2HD PRO 31 -19.804 -8.726 -7.863 259 H ALA 32 H ALA 32 -16.525 -11.130 -8.251 260 HA ALA 32 HA ALA 32 -15.446 -13.685 -7.559 261 1HB ALA 32 1HB ALA 32 -15.293 -12.836 -9.840 262 2HB ALA 32 2HB ALA 32 -13.685 -13.152 -9.186 263 3HB ALA 32 3HB ALA 32 -14.284 -11.497 -9.289 264 H LEU 33 H LEU 33 -13.790 -10.522 -7.568 265 HA LEU 33 HA LEU 33 -12.928 -10.492 -4.921 266 1HB LEU 33 1HB LEU 33 -11.725 -12.610 -5.923 267 2HB LEU 33 2HB LEU 33 -10.659 -11.436 -6.662 268 HG LEU 33 HG LEU 33 -11.100 -11.806 -3.688 269 1HD1 LEU 33 1HD1 LEU 33 -8.799 -12.622 -3.669 270 2HD1 LEU 33 2HD1 LEU 33 -8.717 -12.455 -5.423 271 3HD1 LEU 33 3HD1 LEU 33 -9.825 -13.620 -4.698 272 1HD2 LEU 33 1HD2 LEU 33 -10.628 -9.467 -4.175 273 2HD2 LEU 33 2HD2 LEU 33 -9.222 -9.930 -5.136 274 3HD2 LEU 33 3HD2 LEU 33 -9.239 -10.226 -3.396 275 H TRP 34 H TRP 34 -11.303 -10.099 -8.056 276 HA TRP 34 HA TRP 34 -10.262 -7.517 -7.272 277 1HB TRP 34 1HB TRP 34 -9.969 -9.067 -9.859 278 2HB TRP 34 2HB TRP 34 -9.078 -7.609 -9.436 279 HD1 TRP 34 HD1 TRP 34 -9.376 -11.313 -8.412 280 HE1 TRP 34 HE1 TRP 34 -7.180 -12.012 -7.270 281 HE3 TRP 34 HE3 TRP 34 -7.072 -6.755 -8.232 282 HZ2 TRP 34 HZ2 TRP 34 -4.790 -10.795 -6.408 283 HZ3 TRP 34 HZ3 TRP 34 -4.828 -6.608 -7.234 284 HH2 TRP 34 HH2 TRP 34 -3.712 -8.587 -6.341 285 H GLY 35 H GLY 35 -10.484 -5.618 -8.600 286 1HA GLY 35 1HA GLY 35 -11.808 -4.876 -10.708 287 2HA GLY 35 2HA GLY 35 -13.186 -5.362 -9.724 288 H GLY 36 H GLY 36 -13.053 -4.432 -7.414 289 1HA GLY 36 1HA GLY 36 -12.077 -1.644 -7.494 290 2HA GLY 36 2HA GLY 36 -13.710 -2.023 -6.957 291 H LYS 37 H LYS 37 -13.849 -1.860 -4.827 292 HA LYS 37 HA LYS 37 -11.445 -2.102 -3.197 293 1HB LYS 37 1HB LYS 37 -12.787 -1.038 -1.431 294 2HB LYS 37 2HB LYS 37 -12.804 -0.103 -2.919 295 1HG LYS 37 1HG LYS 37 -15.026 -1.130 -3.450 296 2HG LYS 37 2HG LYS 37 -15.006 -1.858 -1.844 297 1HD LYS 37 1HD LYS 37 -16.312 0.184 -1.800 298 2HD LYS 37 2HD LYS 37 -14.841 0.402 -0.850 299 1HE LYS 37 1HE LYS 37 -15.245 2.378 -2.191 300 2HE LYS 37 2HE LYS 37 -13.802 1.556 -2.775 301 1HZ LYS 37 1HZ LYS 37 -16.506 1.401 -4.000 302 2HZ LYS 37 2HZ LYS 37 -15.135 0.588 -4.561 303 3HZ LYS 37 3HZ LYS 37 -15.190 2.278 -4.602 304 H VAL 38 H VAL 38 -11.664 -3.079 -1.008 305 HA VAL 38 HA VAL 38 -13.518 -5.317 -0.784 306 HB VAL 38 HB VAL 38 -11.479 -6.186 -1.985 307 1HG1 VAL 38 1HG1 VAL 38 -9.408 -6.510 -0.693 308 2HG1 VAL 38 2HG1 VAL 38 -10.079 -5.531 0.611 309 3HG1 VAL 38 3HG1 VAL 38 -9.766 -4.807 -0.967 310 1HG2 VAL 38 1HG2 VAL 38 -11.954 -7.324 0.771 311 2HG2 VAL 38 2HG2 VAL 38 -11.211 -8.172 -0.586 312 3HG2 VAL 38 3HG2 VAL 38 -12.901 -7.676 -0.675 313 H THR 39 H THR 39 -13.403 -6.293 1.409 314 HA THR 39 HA THR 39 -12.254 -4.495 3.436 315 HB THR 39 HB THR 39 -15.026 -5.725 3.577 316 HG1 THR 39 HG1 THR 39 -14.168 -3.514 2.340 317 1HG2 THR 39 1HG2 THR 39 -13.642 -3.738 5.398 318 2HG2 THR 39 2HG2 THR 39 -13.960 -5.433 5.779 319 3HG2 THR 39 3HG2 THR 39 -15.304 -4.309 5.563 320 H LEU 40 H LEU 40 -11.030 -5.555 4.846 321 HA LEU 40 HA LEU 40 -10.775 -8.392 4.859 322 1HB LEU 40 1HB LEU 40 -9.699 -6.338 6.809 323 2HB LEU 40 2HB LEU 40 -9.215 -8.021 6.750 324 HG LEU 40 HG LEU 40 -8.673 -5.898 4.687 325 1HD1 LEU 40 1HD1 LEU 40 -6.800 -7.529 6.371 326 2HD1 LEU 40 2HD1 LEU 40 -7.205 -5.831 6.612 327 3HD1 LEU 40 3HD1 LEU 40 -6.342 -6.333 5.160 328 1HD2 LEU 40 1HD2 LEU 40 -7.505 -7.618 3.391 329 2HD2 LEU 40 2HD2 LEU 40 -9.229 -7.964 3.526 330 3HD2 LEU 40 3HD2 LEU 40 -8.073 -8.848 4.523 331 H ALA 41 H ALA 41 -11.034 -9.743 6.774 332 HA ALA 41 HA ALA 41 -13.647 -9.741 7.724 333 1HB ALA 41 1HB ALA 41 -12.962 -11.562 9.184 334 2HB ALA 41 2HB ALA 41 -11.265 -11.149 8.932 335 3HB ALA 41 3HB ALA 41 -12.237 -11.743 7.586 336 H ASN 42 H ASN 42 -10.870 -8.090 8.975 337 HA ASN 42 HA ASN 42 -12.270 -7.576 11.517 338 1HB ASN 42 1HB ASN 42 -9.968 -8.599 11.602 339 2HB ASN 42 2HB ASN 42 -9.339 -7.101 10.925 340 1HD2 ASN 42 1HD2 ASN 42 -8.068 -6.877 12.826 341 2HD2 ASN 42 2HD2 ASN 42 -8.765 -6.287 14.294 342 H GLY 43 H GLY 43 -12.496 -6.198 8.747 343 1HA GLY 43 1HA GLY 43 -13.757 -4.175 8.707 344 2HA GLY 43 2HA GLY 43 -12.820 -3.584 10.064 345 H TRP 44 H TRP 44 -10.229 -4.269 8.816 346 HA TRP 44 HA TRP 44 -9.636 -1.812 7.663 347 1HB TRP 44 1HB TRP 44 -8.196 -4.445 7.247 348 2HB TRP 44 2HB TRP 44 -7.538 -2.865 6.848 349 HD1 TRP 44 HD1 TRP 44 -7.658 -1.144 9.253 350 HE1 TRP 44 HE1 TRP 44 -6.638 -1.779 11.533 351 HE3 TRP 44 HE3 TRP 44 -7.494 -6.222 8.681 352 HZ2 TRP 44 HZ2 TRP 44 -5.868 -4.119 12.900 353 HZ3 TRP 44 HZ3 TRP 44 -6.594 -7.587 10.522 354 HH2 TRP 44 HH2 TRP 44 -5.799 -6.554 12.586 355 H GLN 45 H GLN 45 -9.900 -0.943 5.675 356 HA GLN 45 HA GLN 45 -10.980 -2.689 3.564 357 1HB GLN 45 1HB GLN 45 -11.113 0.325 3.817 358 2HB GLN 45 2HB GLN 45 -11.881 -0.638 2.560 359 1HG GLN 45 1HG GLN 45 -13.256 -1.745 4.280 360 2HG GLN 45 2HG GLN 45 -12.520 -0.716 5.508 361 1HE2 GLN 45 1HE2 GLN 45 -13.036 1.492 5.552 362 2HE2 GLN 45 2HE2 GLN 45 -14.420 2.123 4.728 363 H LEU 46 H LEU 46 -10.055 -2.828 1.586 364 HA LEU 46 HA LEU 46 -7.680 -1.213 0.966 365 1HB LEU 46 1HB LEU 46 -7.092 -3.461 2.059 366 2HB LEU 46 2HB LEU 46 -7.754 -4.226 0.632 367 HG LEU 46 HG LEU 46 -5.234 -4.022 0.723 368 1HD1 LEU 46 1HD1 LEU 46 -4.972 -3.451 -1.624 369 2HD1 LEU 46 2HD1 LEU 46 -6.577 -2.721 -1.642 370 3HD1 LEU 46 3HD1 LEU 46 -6.401 -4.456 -1.380 371 1HD2 LEU 46 1HD2 LEU 46 -4.234 -1.872 0.141 372 2HD2 LEU 46 2HD2 LEU 46 -5.096 -1.783 1.677 373 3HD2 LEU 46 3HD2 LEU 46 -5.821 -1.105 0.218 374 H GLU 47 H GLU 47 -7.420 -0.904 -1.306 375 HA GLU 47 HA GLU 47 -9.769 -1.764 -2.863 376 1HB GLU 47 1HB GLU 47 -9.448 0.710 -2.396 377 2HB GLU 47 2HB GLU 47 -8.046 0.639 -3.439 378 1HG GLU 47 1HG GLU 47 -9.460 -0.099 -5.299 379 2HG GLU 47 2HG GLU 47 -10.873 0.002 -4.247 380 H LEU 48 H LEU 48 -9.486 -2.955 -4.603 381 HA LEU 48 HA LEU 48 -6.852 -3.835 -5.368 382 1HB LEU 48 1HB LEU 48 -9.612 -4.540 -6.388 383 2HB LEU 48 2HB LEU 48 -8.137 -5.262 -7.006 384 HG LEU 48 HG LEU 48 -9.048 -6.833 -5.501 385 1HD1 LEU 48 1HD1 LEU 48 -7.385 -7.007 -3.722 386 2HD1 LEU 48 2HD1 LEU 48 -6.888 -5.341 -4.014 387 3HD1 LEU 48 3HD1 LEU 48 -6.646 -6.565 -5.261 388 1HD2 LEU 48 1HD2 LEU 48 -10.639 -5.385 -4.363 389 2HD2 LEU 48 2HD2 LEU 48 -9.325 -4.619 -3.468 390 3HD2 LEU 48 3HD2 LEU 48 -9.700 -6.322 -3.203 391 HA PRO 49 HA PRO 49 -6.535 -1.041 -8.828 392 1HB PRO 49 1HB PRO 49 -4.347 -2.035 -10.006 393 2HB PRO 49 2HB PRO 49 -4.258 -1.308 -8.395 394 1HG PRO 49 1HG PRO 49 -4.349 -4.201 -9.168 395 2HG PRO 49 2HG PRO 49 -3.349 -3.404 -7.940 396 1HD PRO 49 1HD PRO 49 -5.696 -4.772 -7.412 397 2HD PRO 49 2HD PRO 49 -5.002 -3.523 -6.360 398 H ALA 50 H ALA 50 -8.287 -3.492 -9.062 399 HA ALA 50 HA ALA 50 -9.502 -4.596 -10.617 400 1HB ALA 50 1HB ALA 50 -9.932 -2.324 -11.400 401 2HB ALA 50 2HB ALA 50 -9.907 -3.472 -12.740 402 3HB ALA 50 3HB ALA 50 -8.522 -2.416 -12.458 403 H MET 51 H MET 51 -8.496 -6.536 -10.762 404 HA MET 51 HA MET 51 -6.838 -6.986 -13.152 405 1HB MET 51 1HB MET 51 -6.396 -8.269 -10.436 406 2HB MET 51 2HB MET 51 -5.525 -8.672 -11.907 407 1HG MET 51 1HG MET 51 -5.458 -5.993 -10.530 408 2HG MET 51 2HG MET 51 -4.231 -7.250 -10.382 409 1HE MET 51 1HE MET 51 -2.330 -5.578 -11.068 410 2HE MET 51 2HE MET 51 -3.508 -4.273 -11.204 411 3HE MET 51 3HE MET 51 -2.369 -4.574 -12.516 412 H ALA 52 H ALA 52 -6.696 -9.635 -13.259 413 HA ALA 52 HA ALA 52 -9.461 -10.565 -13.316 414 1HB ALA 52 1HB ALA 52 -8.033 -11.004 -15.261 415 2HB ALA 52 2HB ALA 52 -8.565 -12.510 -14.512 416 3HB ALA 52 3HB ALA 52 -6.922 -11.925 -14.248 417 H ALA 53 H ALA 53 -10.221 -12.326 -12.131 418 HA ALA 53 HA ALA 53 -9.041 -12.714 -9.564 419 1HB ALA 53 1HB ALA 53 -11.308 -14.226 -10.871 420 2HB ALA 53 2HB ALA 53 -11.469 -12.759 -9.908 421 3HB ALA 53 3HB ALA 53 -10.897 -14.246 -9.155 422 H ASP 54 H ASP 54 -8.900 -14.393 -12.589 423 HA ASP 54 HA ASP 54 -7.911 -16.873 -11.517 424 1HB ASP 54 1HB ASP 54 -8.110 -15.817 -14.348 425 2HB ASP 54 2HB ASP 54 -7.517 -17.424 -13.946 426 H THR 55 H THR 55 -6.301 -14.925 -10.499 427 HA THR 55 HA THR 55 -3.844 -14.739 -11.945 428 HB THR 55 HB THR 55 -2.882 -14.034 -9.751 429 HG1 THR 55 HG1 THR 55 -3.899 -14.758 -8.054 430 1HG2 THR 55 1HG2 THR 55 -5.505 -12.691 -10.438 431 2HG2 THR 55 2HG2 THR 55 -3.946 -12.357 -11.192 432 3HG2 THR 55 3HG2 THR 55 -4.200 -11.978 -9.489 433 HA PRO 56 HA PRO 56 -2.817 -19.037 -11.269 434 1HB PRO 56 1HB PRO 56 -0.244 -18.966 -12.187 435 2HB PRO 56 2HB PRO 56 -1.655 -18.950 -13.253 436 1HG PRO 56 1HG PRO 56 0.023 -16.650 -12.303 437 2HG PRO 56 2HG PRO 56 -0.583 -16.990 -13.936 438 1HD PRO 56 1HD PRO 56 -1.787 -15.202 -12.316 439 2HD PRO 56 2HD PRO 56 -2.715 -16.215 -13.443 440 H LEU 57 H LEU 57 -1.497 -16.410 -9.625 441 HA LEU 57 HA LEU 57 -0.483 -18.094 -7.503 442 1HB LEU 57 1HB LEU 57 1.692 -16.759 -7.444 443 2HB LEU 57 2HB LEU 57 1.539 -17.974 -8.697 444 HG LEU 57 HG LEU 57 0.897 -16.085 -10.285 445 1HD1 LEU 57 1HD1 LEU 57 1.979 -14.374 -8.046 446 2HD1 LEU 57 2HD1 LEU 57 0.325 -14.376 -8.656 447 3HD1 LEU 57 3HD1 LEU 57 1.642 -13.827 -9.691 448 1HD2 LEU 57 1HD2 LEU 57 3.667 -16.059 -9.082 449 2HD2 LEU 57 2HD2 LEU 57 3.224 -15.434 -10.671 450 3HD2 LEU 57 3HD2 LEU 57 3.085 -17.158 -10.333 451 HA PRO 58 HA PRO 58 -1.817 -14.637 -4.968 452 1HB PRO 58 1HB PRO 58 0.096 -14.577 -3.011 453 2HB PRO 58 2HB PRO 58 -1.199 -15.780 -3.061 454 1HG PRO 58 1HG PRO 58 1.645 -16.026 -3.982 455 2HG PRO 58 2HG PRO 58 0.669 -17.180 -3.052 456 1HD PRO 58 1HD PRO 58 1.063 -17.470 -5.704 457 2HD PRO 58 2HD PRO 58 -0.470 -17.927 -4.930 458 H ILE 59 H ILE 59 -1.565 -12.844 -6.240 459 HA ILE 59 HA ILE 59 1.101 -11.986 -7.014 460 HB ILE 59 HB ILE 59 -0.618 -12.107 -8.742 461 1HG1 ILE 59 1HG1 ILE 59 0.212 -9.247 -8.154 462 2HG1 ILE 59 2HG1 ILE 59 1.185 -10.449 -8.996 463 1HG2 ILE 59 1HG2 ILE 59 -2.524 -10.573 -8.772 464 2HG2 ILE 59 2HG2 ILE 59 -2.065 -9.968 -7.180 465 3HG2 ILE 59 3HG2 ILE 59 -2.578 -11.644 -7.371 466 1HD1 ILE 59 1HD1 ILE 59 -1.428 -9.296 -9.950 467 2HD1 ILE 59 2HD1 ILE 59 -0.476 -10.521 -10.792 468 3HD1 ILE 59 3HD1 ILE 59 0.181 -8.900 -10.557 469 H THR 60 H THR 60 2.025 -10.057 -6.543 470 HA THR 60 HA THR 60 0.937 -8.570 -4.270 471 HB THR 60 HB THR 60 3.665 -8.323 -5.573 472 HG1 THR 60 HG1 THR 60 2.723 -10.376 -4.238 473 1HG2 THR 60 1HG2 THR 60 3.038 -6.396 -4.203 474 2HG2 THR 60 2HG2 THR 60 4.304 -7.328 -3.407 475 3HG2 THR 60 3HG2 THR 60 2.635 -7.464 -2.859 476 H VAL 61 H VAL 61 -0.038 -6.644 -4.594 477 HA VAL 61 HA VAL 61 0.450 -5.212 -7.124 478 HB VAL 61 HB VAL 61 -1.966 -4.665 -7.249 479 1HG1 VAL 61 1HG1 VAL 61 -1.365 -7.631 -7.258 480 2HG1 VAL 61 2HG1 VAL 61 -1.083 -6.505 -8.587 481 3HG1 VAL 61 3HG1 VAL 61 -2.730 -6.853 -8.063 482 1HG2 VAL 61 1HG2 VAL 61 -2.555 -4.943 -4.897 483 2HG2 VAL 61 2HG2 VAL 61 -2.241 -6.675 -5.003 484 3HG2 VAL 61 3HG2 VAL 61 -3.578 -5.964 -5.907 485 H GLU 62 H GLU 62 -0.634 -3.004 -7.036 486 HA GLU 62 HA GLU 62 0.464 -1.450 -4.972 487 1HB GLU 62 1HB GLU 62 -0.028 -0.647 -7.278 488 2HB GLU 62 2HB GLU 62 -1.746 -0.721 -6.916 489 1HG GLU 62 1HG GLU 62 -0.876 1.556 -6.774 490 2HG GLU 62 2HG GLU 62 -1.498 0.994 -5.222 491 H ALA 63 H ALA 63 -0.278 -0.981 -2.999 492 HA ALA 63 HA ALA 63 -2.932 -1.907 -2.222 493 1HB ALA 63 1HB ALA 63 -2.188 -1.516 0.068 494 2HB ALA 63 2HB ALA 63 -0.700 -0.781 -0.527 495 3HB ALA 63 3HB ALA 63 -1.011 -2.492 -0.812 496 H ARG 64 H ARG 64 -4.539 -0.514 -2.640 497 HA ARG 64 HA ARG 64 -4.130 2.348 -2.110 498 1HB ARG 64 1HB ARG 64 -5.037 1.822 -4.303 499 2HB ARG 64 2HB ARG 64 -6.313 0.857 -3.584 500 1HG ARG 64 1HG ARG 64 -7.238 2.951 -4.279 501 2HG ARG 64 2HG ARG 64 -7.201 2.923 -2.514 502 1HD ARG 64 1HD ARG 64 -5.101 4.236 -2.579 503 2HD ARG 64 2HD ARG 64 -5.236 4.317 -4.336 504 HE ARG 64 HE ARG 64 -7.619 5.286 -3.252 505 1HH1 ARG 64 1HH1 ARG 64 -4.234 6.162 -3.428 506 2HH1 ARG 64 2HH1 ARG 64 -4.529 7.860 -3.244 507 1HH2 ARG 64 1HH2 ARG 64 -8.022 7.520 -3.017 508 2HH2 ARG 64 2HH2 ARG 64 -6.691 8.636 -3.020 509 H LYS 65 H LYS 65 -4.398 2.665 0.024 510 HA LYS 65 HA LYS 65 -6.258 1.121 1.590 511 1HB LYS 65 1HB LYS 65 -4.083 1.762 2.514 512 2HB LYS 65 2HB LYS 65 -4.475 3.462 2.320 513 1HG LYS 65 1HG LYS 65 -4.689 2.758 4.642 514 2HG LYS 65 2HG LYS 65 -6.248 3.262 3.987 515 1HD LYS 65 1HD LYS 65 -6.922 0.954 3.701 516 2HD LYS 65 2HD LYS 65 -5.326 0.390 4.198 517 1HE LYS 65 1HE LYS 65 -7.004 0.192 6.000 518 2HE LYS 65 2HE LYS 65 -5.673 1.261 6.434 519 1HZ LYS 65 1HZ LYS 65 -8.306 2.190 5.427 520 2HZ LYS 65 2HZ LYS 65 -7.048 3.158 6.007 521 3HZ LYS 65 3HZ LYS 65 -7.873 2.123 7.059 522 H LEU 66 H LEU 66 -8.251 1.689 2.226 523 HA LEU 66 HA LEU 66 -9.369 4.215 1.326 524 1HB LEU 66 1HB LEU 66 -10.623 1.831 2.707 525 2HB LEU 66 2HB LEU 66 -11.506 3.290 2.307 526 HG LEU 66 HG LEU 66 -10.965 2.875 -0.115 527 1HD1 LEU 66 1HD1 LEU 66 -9.012 1.473 0.134 528 2HD1 LEU 66 2HD1 LEU 66 -10.262 0.612 -0.761 529 3HD1 LEU 66 3HD1 LEU 66 -9.971 0.228 0.934 530 1HD2 LEU 66 1HD2 LEU 66 -12.505 0.701 1.304 531 2HD2 LEU 66 2HD2 LEU 66 -12.633 1.113 -0.405 532 3HD2 LEU 66 3HD2 LEU 66 -13.135 2.275 0.821 Start of MODEL 20 1 H MET 1 H MET 1 2.400 0.765 -2.065 2 HA MET 1 HA MET 1 4.601 -0.367 -0.456 3 1HB MET 1 1HB MET 1 2.994 -0.382 1.406 4 2HB MET 1 2HB MET 1 3.290 1.251 0.829 5 1HG MET 1 1HG MET 1 1.173 1.121 -0.462 6 2HG MET 1 2HG MET 1 0.868 -0.450 0.277 7 1HE MET 1 1HE MET 1 0.887 3.602 2.481 8 2HE MET 1 2HE MET 1 0.957 3.405 0.730 9 3HE MET 1 3HE MET 1 2.338 2.943 1.726 10 H LYS 2 H LYS 2 3.749 -2.479 0.623 11 HA LYS 2 HA LYS 2 3.077 -4.054 -1.763 12 1HB LYS 2 1HB LYS 2 5.359 -4.310 -0.918 13 2HB LYS 2 2HB LYS 2 4.740 -4.761 0.663 14 1HG LYS 2 1HG LYS 2 3.761 -6.789 -0.277 15 2HG LYS 2 2HG LYS 2 4.328 -6.327 -1.885 16 1HD LYS 2 1HD LYS 2 6.656 -6.406 -1.062 17 2HD LYS 2 2HD LYS 2 6.066 -6.918 0.520 18 1HE LYS 2 1HE LYS 2 5.149 -8.950 -0.457 19 2HE LYS 2 2HE LYS 2 5.652 -8.427 -2.064 20 1HZ LYS 2 1HZ LYS 2 7.203 -10.019 -1.129 21 2HZ LYS 2 2HZ LYS 2 7.467 -9.024 0.208 22 3HZ LYS 2 3HZ LYS 2 7.955 -8.519 -1.329 23 H VAL 3 H VAL 3 1.285 -5.182 -1.785 24 HA VAL 3 HA VAL 3 0.472 -6.583 0.645 25 HB VAL 3 HB VAL 3 -1.019 -4.614 0.443 26 1HG1 VAL 3 1HG1 VAL 3 -2.660 -4.480 -1.369 27 2HG1 VAL 3 2HG1 VAL 3 -1.892 -5.850 -2.171 28 3HG1 VAL 3 3HG1 VAL 3 -1.010 -4.335 -1.979 29 1HG2 VAL 3 1HG2 VAL 3 -2.377 -7.262 -0.044 30 2HG2 VAL 3 2HG2 VAL 3 -3.126 -5.832 0.668 31 3HG2 VAL 3 3HG2 VAL 3 -1.808 -6.648 1.510 32 H MET 4 H MET 4 0.141 -8.679 0.263 33 HA MET 4 HA MET 4 0.101 -9.565 -2.548 34 1HB MET 4 1HB MET 4 2.104 -10.233 -1.295 35 2HB MET 4 2HB MET 4 1.099 -11.007 -0.078 36 1HG MET 4 1HG MET 4 0.363 -12.662 -1.650 37 2HG MET 4 2HG MET 4 1.178 -11.831 -2.975 38 1HE MET 4 1HE MET 4 3.442 -13.836 0.520 39 2HE MET 4 2HE MET 4 1.683 -13.801 0.402 40 3HE MET 4 3HE MET 4 2.579 -12.308 0.674 41 H ILE 5 H ILE 5 -1.857 -10.114 -3.168 42 HA ILE 5 HA ILE 5 -3.878 -11.023 -1.303 43 HB ILE 5 HB ILE 5 -4.040 -10.749 -4.318 44 1HG1 ILE 5 1HG1 ILE 5 -3.493 -8.590 -3.265 45 2HG1 ILE 5 2HG1 ILE 5 -5.126 -8.580 -3.919 46 1HG2 ILE 5 1HG2 ILE 5 -5.765 -12.205 -3.424 47 2HG2 ILE 5 2HG2 ILE 5 -6.476 -10.678 -3.947 48 3HG2 ILE 5 3HG2 ILE 5 -6.214 -10.985 -2.230 49 1HD1 ILE 5 1HD1 ILE 5 -5.034 -7.471 -1.770 50 2HD1 ILE 5 2HD1 ILE 5 -4.379 -8.927 -1.021 51 3HD1 ILE 5 3HD1 ILE 5 -6.020 -8.928 -1.669 52 H ARG 6 H ARG 6 -4.441 -13.097 -0.963 53 HA ARG 6 HA ARG 6 -3.187 -15.200 -2.578 54 1HB ARG 6 1HB ARG 6 -4.794 -15.428 -0.020 55 2HB ARG 6 2HB ARG 6 -3.980 -16.750 -0.836 56 1HG ARG 6 1HG ARG 6 -1.809 -15.587 -0.400 57 2HG ARG 6 2HG ARG 6 -2.702 -14.402 0.562 58 1HD ARG 6 1HD ARG 6 -3.553 -16.264 1.974 59 2HD ARG 6 2HD ARG 6 -2.542 -17.379 1.060 60 HE ARG 6 HE ARG 6 -1.458 -15.167 2.700 61 1HH1 ARG 6 1HH1 ARG 6 -1.271 -18.436 1.448 62 2HH1 ARG 6 2HH1 ARG 6 0.070 -18.878 2.454 63 1HH2 ARG 6 1HH2 ARG 6 0.273 -15.759 4.054 64 2HH2 ARG 6 2HH2 ARG 6 0.949 -17.356 3.943 65 H LYS 7 H LYS 7 -4.313 -16.100 -4.168 66 HA LYS 7 HA LYS 7 -7.209 -15.752 -4.306 67 1HB LYS 7 1HB LYS 7 -5.110 -16.631 -6.287 68 2HB LYS 7 2HB LYS 7 -6.824 -16.840 -6.613 69 1HG LYS 7 1HG LYS 7 -5.604 -14.168 -5.943 70 2HG LYS 7 2HG LYS 7 -5.746 -14.779 -7.593 71 1HD LYS 7 1HD LYS 7 -8.035 -14.317 -5.665 72 2HD LYS 7 2HD LYS 7 -7.610 -13.289 -7.037 73 1HE LYS 7 1HE LYS 7 -8.032 -15.170 -8.564 74 2HE LYS 7 2HE LYS 7 -8.474 -16.181 -7.192 75 1HZ LYS 7 1HZ LYS 7 -9.896 -13.733 -8.082 76 2HZ LYS 7 2HZ LYS 7 -10.311 -14.668 -6.734 77 3HZ LYS 7 3HZ LYS 7 -10.424 -15.326 -8.287 78 H THR 8 H THR 8 -8.448 -17.249 -3.448 79 HA THR 8 HA THR 8 -7.990 -20.061 -3.969 80 HB THR 8 HB THR 8 -8.197 -19.029 -1.118 81 HG1 THR 8 HG1 THR 8 -6.072 -20.195 -2.615 82 1HG2 THR 8 1HG2 THR 8 -8.001 -21.864 -2.158 83 2HG2 THR 8 2HG2 THR 8 -9.420 -21.133 -1.408 84 3HG2 THR 8 3HG2 THR 8 -7.954 -21.388 -0.462 85 H ALA 9 H ALA 9 -9.904 -21.019 -4.364 86 HA ALA 9 HA ALA 9 -12.229 -19.367 -4.502 87 1HB ALA 9 1HB ALA 9 -13.284 -21.276 -5.575 88 2HB ALA 9 2HB ALA 9 -11.951 -22.318 -5.074 89 3HB ALA 9 3HB ALA 9 -11.666 -21.015 -6.229 90 H THR 10 H THR 10 -11.032 -20.854 -1.851 91 HA THR 10 HA THR 10 -13.729 -21.154 -0.697 92 HB THR 10 HB THR 10 -12.555 -22.796 0.940 93 HG1 THR 10 HG1 THR 10 -10.907 -23.869 -0.797 94 1HG2 THR 10 1HG2 THR 10 -13.073 -23.613 -1.926 95 2HG2 THR 10 2HG2 THR 10 -14.286 -23.482 -0.651 96 3HG2 THR 10 3HG2 THR 10 -13.015 -24.702 -0.539 97 H GLY 11 H GLY 11 -11.056 -19.259 -0.696 98 1HA GLY 11 1HA GLY 11 -11.690 -17.897 1.678 99 2HA GLY 11 2HA GLY 11 -10.358 -18.993 2.014 100 H HIS 12 H HIS 12 -11.307 -16.025 0.645 101 HA HIS 12 HA HIS 12 -8.820 -15.514 -0.747 102 1HB HIS 12 1HB HIS 12 -11.030 -13.583 0.036 103 2HB HIS 12 2HB HIS 12 -9.720 -13.256 -1.091 104 HD1 HIS 12 HD1 HIS 12 -13.019 -14.962 -0.803 105 HD2 HIS 12 HD2 HIS 12 -10.045 -14.361 -3.659 106 HE1 HIS 12 HE1 HIS 12 -14.030 -15.665 -2.994 107 HE2 HIS 12 HE2 HIS 12 -12.275 -15.138 -4.719 108 H SER 13 H SER 13 -7.143 -14.188 0.005 109 HA SER 13 HA SER 13 -7.341 -13.109 2.717 110 1HB SER 13 1HB SER 13 -6.433 -15.389 2.999 111 2HB SER 13 2HB SER 13 -5.144 -15.023 1.854 112 HG SER 13 HG SER 13 -5.431 -14.291 4.501 113 H ALA 14 H ALA 14 -5.467 -11.691 3.231 114 HA ALA 14 HA ALA 14 -4.018 -10.658 0.912 115 1HB ALA 14 1HB ALA 14 -4.736 -8.365 1.277 116 2HB ALA 14 2HB ALA 14 -5.770 -8.873 2.612 117 3HB ALA 14 3HB ALA 14 -6.138 -9.390 0.966 118 H TYR 15 H TYR 15 -1.979 -10.371 1.494 119 HA TYR 15 HA TYR 15 -1.317 -9.985 4.328 120 1HB TYR 15 1HB TYR 15 -0.235 -11.905 3.321 121 2HB TYR 15 2HB TYR 15 0.357 -10.925 1.984 122 HD1 TYR 15 HD1 TYR 15 2.628 -10.482 2.065 123 HD2 TYR 15 HD2 TYR 15 0.484 -10.770 5.734 124 HE1 TYR 15 HE1 TYR 15 4.701 -10.042 3.309 125 HE2 TYR 15 HE2 TYR 15 2.553 -10.334 6.983 126 HH TYR 15 HH TYR 15 5.005 -10.573 6.621 127 H VAL 16 H VAL 16 -1.397 -7.854 4.716 128 HA VAL 16 HA VAL 16 -0.237 -5.893 2.933 129 HB VAL 16 HB VAL 16 -1.275 -5.528 5.761 130 1HG1 VAL 16 1HG1 VAL 16 -1.511 -3.164 5.119 131 2HG1 VAL 16 2HG1 VAL 16 -0.764 -3.520 3.561 132 3HG1 VAL 16 3HG1 VAL 16 0.165 -3.708 5.049 133 1HG2 VAL 16 1HG2 VAL 16 -3.034 -6.435 4.337 134 2HG2 VAL 16 2HG2 VAL 16 -2.734 -5.180 3.134 135 3HG2 VAL 16 3HG2 VAL 16 -3.365 -4.746 4.723 136 H ALA 17 H ALA 17 1.948 -6.099 2.813 137 HA ALA 17 HA ALA 17 3.598 -7.132 4.837 138 1HB ALA 17 1HB ALA 17 4.177 -7.166 2.454 139 2HB ALA 17 2HB ALA 17 5.464 -6.461 3.431 140 3HB ALA 17 3HB ALA 17 4.401 -5.416 2.487 141 H LYS 18 H LYS 18 2.824 -3.790 3.968 142 HA LYS 18 HA LYS 18 4.803 -2.613 5.641 143 1HB LYS 18 1HB LYS 18 3.560 -0.484 5.234 144 2HB LYS 18 2HB LYS 18 4.016 -1.345 3.777 145 1HG LYS 18 1HG LYS 18 1.859 -0.606 3.333 146 2HG LYS 18 2HG LYS 18 1.631 -2.289 3.799 147 1HD LYS 18 1HD LYS 18 -0.068 -0.899 4.835 148 2HD LYS 18 2HD LYS 18 1.001 -1.557 6.072 149 1HE LYS 18 1HE LYS 18 0.495 0.789 6.511 150 2HE LYS 18 2HE LYS 18 2.209 0.578 6.159 151 1HZ LYS 18 1HZ LYS 18 1.213 2.507 5.041 152 2HZ LYS 18 2HZ LYS 18 0.188 1.478 4.181 153 3HZ LYS 18 3HZ LYS 18 1.862 1.395 3.949 154 H LYS 19 H LYS 19 2.037 -4.230 6.463 155 HA LYS 19 HA LYS 19 1.967 -2.913 9.102 156 1HB LYS 19 1HB LYS 19 -0.034 -2.335 7.662 157 2HB LYS 19 2HB LYS 19 -0.453 -4.041 7.660 158 1HG LYS 19 1HG LYS 19 -0.706 -3.973 10.107 159 2HG LYS 19 2HG LYS 19 -0.304 -2.254 10.092 160 1HD LYS 19 1HD LYS 19 -2.275 -1.837 8.651 161 2HD LYS 19 2HD LYS 19 -2.684 -3.551 8.748 162 1HE LYS 19 1HE LYS 19 -2.521 -1.645 11.089 163 2HE LYS 19 2HE LYS 19 -4.006 -2.195 10.316 164 1HZ LYS 19 1HZ LYS 19 -3.459 -3.415 12.362 165 2HZ LYS 19 2HZ LYS 19 -2.042 -3.991 11.641 166 3HZ LYS 19 3HZ LYS 19 -3.550 -4.429 11.016 167 H ASP 20 H ASP 20 3.084 -5.440 7.655 168 HA ASP 20 HA ASP 20 3.193 -7.715 7.851 169 1HB ASP 20 1HB ASP 20 3.923 -8.467 10.051 170 2HB ASP 20 2HB ASP 20 4.650 -6.914 9.671 171 H LEU 21 H LEU 21 0.513 -6.792 7.645 172 HA LEU 21 HA LEU 21 -1.024 -8.451 9.516 173 1HB LEU 21 1HB LEU 21 -1.740 -6.159 9.434 174 2HB LEU 21 2HB LEU 21 -1.773 -6.171 7.681 175 HG LEU 21 HG LEU 21 -3.679 -7.769 7.756 176 1HD1 LEU 21 1HD1 LEU 21 -4.871 -8.121 9.859 177 2HD1 LEU 21 2HD1 LEU 21 -3.600 -7.261 10.730 178 3HD1 LEU 21 3HD1 LEU 21 -3.240 -8.788 9.923 179 1HD2 LEU 21 1HD2 LEU 21 -5.356 -6.130 8.456 180 2HD2 LEU 21 2HD2 LEU 21 -4.074 -5.377 7.509 181 3HD2 LEU 21 3HD2 LEU 21 -4.102 -5.185 9.262 182 H GLU 22 H GLU 22 -1.967 -10.280 8.841 183 HA GLU 22 HA GLU 22 -2.740 -10.491 6.014 184 1HB GLU 22 1HB GLU 22 -0.701 -11.881 6.395 185 2HB GLU 22 2HB GLU 22 -1.576 -12.779 7.624 186 1HG GLU 22 1HG GLU 22 -3.116 -13.640 6.004 187 2HG GLU 22 2HG GLU 22 -2.453 -12.595 4.747 188 H GLU 23 H GLU 23 -4.870 -10.553 5.996 189 HA GLU 23 HA GLU 23 -6.291 -12.023 8.118 190 1HB GLU 23 1HB GLU 23 -6.316 -9.524 8.498 191 2HB GLU 23 2HB GLU 23 -7.172 -9.359 6.975 192 1HG GLU 23 1HG GLU 23 -8.681 -9.250 8.888 193 2HG GLU 23 2HG GLU 23 -9.046 -10.616 7.837 194 H LEU 24 H LEU 24 -8.535 -12.567 7.492 195 HA LEU 24 HA LEU 24 -8.599 -13.608 4.808 196 1HB LEU 24 1HB LEU 24 -10.681 -13.686 7.003 197 2HB LEU 24 2HB LEU 24 -10.782 -14.563 5.488 198 HG LEU 24 HG LEU 24 -8.708 -14.993 7.647 199 1HD1 LEU 24 1HD1 LEU 24 -9.809 -17.157 7.960 200 2HD1 LEU 24 2HD1 LEU 24 -11.032 -16.711 6.769 201 3HD1 LEU 24 3HD1 LEU 24 -10.909 -15.817 8.285 202 1HD2 LEU 24 1HD2 LEU 24 -7.981 -16.909 6.306 203 2HD2 LEU 24 2HD2 LEU 24 -7.767 -15.394 5.430 204 3HD2 LEU 24 3HD2 LEU 24 -9.118 -16.457 5.034 205 H ILE 25 H ILE 25 -9.605 -12.776 3.099 206 HA ILE 25 HA ILE 25 -10.911 -10.216 3.238 207 HB ILE 25 HB ILE 25 -10.475 -12.156 0.958 208 1HG1 ILE 25 1HG1 ILE 25 -9.230 -9.464 1.582 209 2HG1 ILE 25 2HG1 ILE 25 -8.456 -11.029 1.807 210 1HG2 ILE 25 1HG2 ILE 25 -11.238 -10.362 -0.555 211 2HG2 ILE 25 2HG2 ILE 25 -11.731 -9.413 0.848 212 3HG2 ILE 25 3HG2 ILE 25 -12.524 -10.949 0.500 213 1HD1 ILE 25 1HD1 ILE 25 -7.659 -9.923 -0.198 214 2HD1 ILE 25 2HD1 ILE 25 -9.305 -9.842 -0.827 215 3HD1 ILE 25 3HD1 ILE 25 -8.522 -11.406 -0.602 216 H VAL 26 H VAL 26 -12.793 -10.326 4.340 217 HA VAL 26 HA VAL 26 -14.697 -12.468 3.838 218 HB VAL 26 HB VAL 26 -16.049 -11.404 5.620 219 1HG1 VAL 26 1HG1 VAL 26 -13.147 -11.852 6.355 220 2HG1 VAL 26 2HG1 VAL 26 -14.388 -13.097 6.207 221 3HG1 VAL 26 3HG1 VAL 26 -14.510 -11.880 7.476 222 1HG2 VAL 26 1HG2 VAL 26 -15.095 -9.538 6.919 223 2HG2 VAL 26 2HG2 VAL 26 -15.433 -9.073 5.251 224 3HG2 VAL 26 3HG2 VAL 26 -13.774 -9.410 5.755 225 H GLU 27 H GLU 27 -14.237 -9.095 3.083 226 HA GLU 27 HA GLU 27 -16.722 -9.154 1.493 227 1HB GLU 27 1HB GLU 27 -16.932 -7.609 3.408 228 2HB GLU 27 2HB GLU 27 -15.486 -6.764 2.885 229 1HG GLU 27 1HG GLU 27 -17.457 -5.522 2.247 230 2HG GLU 27 2HG GLU 27 -16.617 -6.106 0.812 231 H MET 28 H MET 28 -16.589 -8.428 -0.577 232 HA MET 28 HA MET 28 -14.165 -7.200 -1.574 233 1HB MET 28 1HB MET 28 -14.189 -9.091 -3.444 234 2HB MET 28 2HB MET 28 -13.270 -9.278 -1.959 235 1HG MET 28 1HG MET 28 -14.495 -11.309 -2.564 236 2HG MET 28 2HG MET 28 -15.000 -10.662 -1.006 237 1HE MET 28 1HE MET 28 -17.198 -12.086 -0.938 238 2HE MET 28 2HE MET 28 -16.699 -12.858 -2.443 239 3HE MET 28 3HE MET 28 -18.329 -12.206 -2.286 240 H GLU 29 H GLU 29 -14.428 -6.210 -3.568 241 HA GLU 29 HA GLU 29 -16.918 -5.141 -4.144 242 1HB GLU 29 1HB GLU 29 -14.638 -4.285 -4.874 243 2HB GLU 29 2HB GLU 29 -14.696 -5.474 -6.169 244 1HG GLU 29 1HG GLU 29 -15.388 -3.377 -7.060 245 2HG GLU 29 2HG GLU 29 -16.808 -4.417 -6.963 246 H ASN 30 H ASN 30 -15.257 -7.879 -5.620 247 HA ASN 30 HA ASN 30 -17.806 -8.775 -6.783 248 1HB ASN 30 1HB ASN 30 -15.097 -8.829 -8.153 249 2HB ASN 30 2HB ASN 30 -16.540 -9.627 -8.762 250 1HD2 ASN 30 1HD2 ASN 30 -18.314 -7.423 -7.964 251 2HD2 ASN 30 2HD2 ASN 30 -18.015 -6.150 -9.093 252 HA PRO 31 HA PRO 31 -17.171 -12.526 -4.590 253 1HB PRO 31 1HB PRO 31 -17.838 -14.349 -6.631 254 2HB PRO 31 2HB PRO 31 -18.953 -13.615 -5.476 255 1HG PRO 31 1HG PRO 31 -18.337 -12.819 -8.286 256 2HG PRO 31 2HG PRO 31 -19.881 -12.769 -7.415 257 1HD PRO 31 1HD PRO 31 -18.478 -10.537 -7.857 258 2HD PRO 31 2HD PRO 31 -19.337 -10.781 -6.321 259 H ALA 32 H ALA 32 -15.681 -12.197 -7.764 260 HA ALA 32 HA ALA 32 -13.811 -14.300 -7.546 261 1HB ALA 32 1HB ALA 32 -12.514 -13.065 -9.243 262 2HB ALA 32 2HB ALA 32 -13.593 -11.684 -9.040 263 3HB ALA 32 3HB ALA 32 -14.220 -13.206 -9.674 264 H LEU 33 H LEU 33 -13.341 -10.805 -7.070 265 HA LEU 33 HA LEU 33 -12.053 -10.710 -4.675 266 1HB LEU 33 1HB LEU 33 -10.444 -12.326 -5.949 267 2HB LEU 33 2HB LEU 33 -9.902 -10.894 -6.788 268 HG LEU 33 HG LEU 33 -8.421 -11.555 -4.907 269 1HD1 LEU 33 1HD1 LEU 33 -8.164 -9.351 -3.907 270 2HD1 LEU 33 2HD1 LEU 33 -9.753 -8.877 -4.508 271 3HD1 LEU 33 3HD1 LEU 33 -8.450 -9.228 -5.644 272 1HD2 LEU 33 1HD2 LEU 33 -10.085 -12.453 -3.399 273 2HD2 LEU 33 2HD2 LEU 33 -10.794 -10.854 -3.185 274 3HD2 LEU 33 3HD2 LEU 33 -9.162 -11.182 -2.605 275 H TRP 34 H TRP 34 -11.183 -9.685 -7.966 276 HA TRP 34 HA TRP 34 -10.625 -6.989 -7.033 277 1HB TRP 34 1HB TRP 34 -10.292 -8.218 -9.787 278 2HB TRP 34 2HB TRP 34 -9.647 -6.665 -9.257 279 HD1 TRP 34 HD1 TRP 34 -9.272 -10.426 -8.392 280 HE1 TRP 34 HE1 TRP 34 -6.884 -10.821 -7.531 281 HE3 TRP 34 HE3 TRP 34 -7.578 -5.604 -8.496 282 HZ2 TRP 34 HZ2 TRP 34 -4.575 -9.290 -7.002 283 HZ3 TRP 34 HZ3 TRP 34 -5.259 -5.159 -7.806 284 HH2 TRP 34 HH2 TRP 34 -3.792 -6.967 -7.075 285 H GLY 35 H GLY 35 -11.443 -5.110 -8.151 286 1HA GLY 35 1HA GLY 35 -13.300 -4.858 -10.089 287 2HA GLY 35 2HA GLY 35 -14.276 -5.327 -8.705 288 H GLY 36 H GLY 36 -12.564 -3.953 -6.780 289 1HA GLY 36 1HA GLY 36 -12.289 -1.217 -7.376 290 2HA GLY 36 2HA GLY 36 -13.885 -1.483 -6.685 291 H LYS 37 H LYS 37 -13.977 -2.540 -4.546 292 HA LYS 37 HA LYS 37 -11.525 -2.106 -2.974 293 1HB LYS 37 1HB LYS 37 -12.993 -1.205 -1.123 294 2HB LYS 37 2HB LYS 37 -12.772 -0.160 -2.514 295 1HG LYS 37 1HG LYS 37 -15.032 0.046 -1.936 296 2HG LYS 37 2HG LYS 37 -15.016 -1.015 -3.345 297 1HD LYS 37 1HD LYS 37 -15.383 -2.950 -1.982 298 2HD LYS 37 2HD LYS 37 -15.126 -2.026 -0.500 299 1HE LYS 37 1HE LYS 37 -17.496 -2.424 -0.843 300 2HE LYS 37 2HE LYS 37 -17.137 -0.706 -0.984 301 1HZ LYS 37 1HZ LYS 37 -18.623 -1.311 -2.715 302 2HZ LYS 37 2HZ LYS 37 -17.660 -2.612 -3.198 303 3HZ LYS 37 3HZ LYS 37 -17.116 -1.028 -3.435 304 H VAL 38 H VAL 38 -11.570 -3.101 -0.854 305 HA VAL 38 HA VAL 38 -13.205 -5.515 -0.590 306 HB VAL 38 HB VAL 38 -10.205 -5.440 -0.955 307 1HG1 VAL 38 1HG1 VAL 38 -11.728 -7.664 0.409 308 2HG1 VAL 38 2HG1 VAL 38 -10.519 -6.614 1.149 309 3HG1 VAL 38 3HG1 VAL 38 -10.046 -7.747 -0.117 310 1HG2 VAL 38 1HG2 VAL 38 -11.582 -5.912 -2.922 311 2HG2 VAL 38 2HG2 VAL 38 -12.332 -7.268 -2.081 312 3HG2 VAL 38 3HG2 VAL 38 -10.613 -7.317 -2.471 313 H THR 39 H THR 39 -13.127 -6.378 1.602 314 HA THR 39 HA THR 39 -11.786 -4.658 3.576 315 HB THR 39 HB THR 39 -14.610 -5.690 3.951 316 HG1 THR 39 HG1 THR 39 -13.657 -3.442 2.686 317 1HG2 THR 39 1HG2 THR 39 -13.356 -5.343 6.033 318 2HG2 THR 39 2HG2 THR 39 -14.640 -4.146 5.859 319 3HG2 THR 39 3HG2 THR 39 -12.967 -3.699 5.528 320 H LEU 40 H LEU 40 -10.603 -5.789 4.953 321 HA LEU 40 HA LEU 40 -10.638 -8.657 4.996 322 1HB LEU 40 1HB LEU 40 -9.113 -6.596 6.597 323 2HB LEU 40 2HB LEU 40 -8.938 -8.319 6.865 324 HG LEU 40 HG LEU 40 -7.102 -7.611 5.521 325 1HD1 LEU 40 1HD1 LEU 40 -8.060 -9.768 4.924 326 2HD1 LEU 40 2HD1 LEU 40 -7.369 -8.965 3.516 327 3HD1 LEU 40 3HD1 LEU 40 -9.116 -8.986 3.747 328 1HD2 LEU 40 1HD2 LEU 40 -7.348 -6.482 3.373 329 2HD2 LEU 40 2HD2 LEU 40 -8.030 -5.514 4.678 330 3HD2 LEU 40 3HD2 LEU 40 -9.096 -6.411 3.597 331 H ALA 41 H ALA 41 -10.687 -9.822 7.159 332 HA ALA 41 HA ALA 41 -13.247 -9.550 8.285 333 1HB ALA 41 1HB ALA 41 -12.574 -11.293 9.842 334 2HB ALA 41 2HB ALA 41 -10.878 -11.036 9.427 335 3HB ALA 41 3HB ALA 41 -11.997 -11.668 8.218 336 H ASN 42 H ASN 42 -10.280 -8.008 9.072 337 HA ASN 42 HA ASN 42 -11.122 -7.270 11.761 338 1HB ASN 42 1HB ASN 42 -8.888 -6.115 11.847 339 2HB ASN 42 2HB ASN 42 -8.806 -7.850 11.565 340 1HD2 ASN 42 1HD2 ASN 42 -6.744 -7.641 10.683 341 2HD2 ASN 42 2HD2 ASN 42 -6.492 -7.003 9.098 342 H GLY 43 H GLY 43 -11.855 -6.152 8.772 343 1HA GLY 43 1HA GLY 43 -13.230 -4.290 8.395 344 2HA GLY 43 2HA GLY 43 -12.647 -3.572 9.886 345 H TRP 44 H TRP 44 -10.046 -4.689 8.074 346 HA TRP 44 HA TRP 44 -9.222 -2.034 7.343 347 1HB TRP 44 1HB TRP 44 -7.617 -3.787 8.077 348 2HB TRP 44 2HB TRP 44 -7.977 -4.709 6.624 349 HD1 TRP 44 HD1 TRP 44 -6.849 -3.903 4.351 350 HE1 TRP 44 HE1 TRP 44 -4.951 -2.243 3.839 351 HE3 TRP 44 HE3 TRP 44 -6.593 -1.535 8.875 352 HZ2 TRP 44 HZ2 TRP 44 -3.530 -0.203 5.171 353 HZ3 TRP 44 HZ3 TRP 44 -4.937 0.261 9.175 354 HH2 TRP 44 HH2 TRP 44 -3.436 0.911 7.359 355 H GLN 45 H GLN 45 -9.894 -1.005 5.573 356 HA GLN 45 HA GLN 45 -11.043 -2.510 3.352 357 1HB GLN 45 1HB GLN 45 -10.964 0.467 3.902 358 2HB GLN 45 2HB GLN 45 -11.795 -0.289 2.548 359 1HG GLN 45 1HG GLN 45 -13.260 -1.479 4.093 360 2HG GLN 45 2HG GLN 45 -12.419 -0.752 5.460 361 1HE2 GLN 45 1HE2 GLN 45 -12.159 1.856 4.158 362 2HE2 GLN 45 2HE2 GLN 45 -13.734 2.562 4.192 363 H LEU 46 H LEU 46 -9.826 -3.066 1.688 364 HA LEU 46 HA LEU 46 -7.448 -1.452 1.005 365 1HB LEU 46 1HB LEU 46 -7.290 -3.938 1.896 366 2HB LEU 46 2HB LEU 46 -7.755 -4.354 0.262 367 HG LEU 46 HG LEU 46 -5.329 -4.504 0.592 368 1HD1 LEU 46 1HD1 LEU 46 -6.148 -3.954 -1.638 369 2HD1 LEU 46 2HD1 LEU 46 -4.588 -3.196 -1.320 370 3HD1 LEU 46 3HD1 LEU 46 -6.066 -2.234 -1.252 371 1HD2 LEU 46 1HD2 LEU 46 -3.979 -2.508 0.986 372 2HD2 LEU 46 2HD2 LEU 46 -5.079 -2.815 2.329 373 3HD2 LEU 46 3HD2 LEU 46 -5.444 -1.542 1.163 374 H GLU 47 H GLU 47 -7.296 -0.740 -1.083 375 HA GLU 47 HA GLU 47 -9.631 -1.135 -2.793 376 1HB GLU 47 1HB GLU 47 -8.749 1.156 -2.357 377 2HB GLU 47 2HB GLU 47 -7.260 0.703 -3.165 378 1HG GLU 47 1HG GLU 47 -8.604 0.242 -5.223 379 2HG GLU 47 2HG GLU 47 -9.994 0.938 -4.390 380 H LEU 48 H LEU 48 -9.619 -2.636 -4.321 381 HA LEU 48 HA LEU 48 -7.065 -3.426 -5.564 382 1HB LEU 48 1HB LEU 48 -9.662 -4.944 -5.236 383 2HB LEU 48 2HB LEU 48 -8.391 -5.468 -6.322 384 HG LEU 48 HG LEU 48 -8.235 -6.743 -4.293 385 1HD1 LEU 48 1HD1 LEU 48 -5.957 -6.252 -3.575 386 2HD1 LEU 48 2HD1 LEU 48 -6.045 -4.670 -4.352 387 3HD1 LEU 48 3HD1 LEU 48 -6.118 -6.137 -5.326 388 1HD2 LEU 48 1HD2 LEU 48 -9.417 -5.181 -2.807 389 2HD2 LEU 48 2HD2 LEU 48 -7.995 -4.141 -2.785 390 3HD2 LEU 48 3HD2 LEU 48 -7.910 -5.764 -2.103 391 HA PRO 49 HA PRO 49 -8.960 -0.805 -8.635 392 1HB PRO 49 1HB PRO 49 -6.792 -0.358 -10.151 393 2HB PRO 49 2HB PRO 49 -6.923 0.290 -8.511 394 1HG PRO 49 1HG PRO 49 -5.447 -2.138 -9.473 395 2HG PRO 49 2HG PRO 49 -4.911 -0.881 -8.343 396 1HD PRO 49 1HD PRO 49 -5.906 -3.317 -7.558 397 2HD PRO 49 2HD PRO 49 -6.001 -1.850 -6.565 398 H ALA 50 H ALA 50 -9.525 -3.564 -9.000 399 HA ALA 50 HA ALA 50 -10.186 -5.073 -10.556 400 1HB ALA 50 1HB ALA 50 -11.222 -4.134 -12.559 401 2HB ALA 50 2HB ALA 50 -10.421 -2.590 -12.260 402 3HB ALA 50 3HB ALA 50 -11.633 -3.190 -11.127 403 H MET 51 H MET 51 -8.156 -6.110 -10.649 404 HA MET 51 HA MET 51 -6.732 -5.742 -13.212 405 1HB MET 51 1HB MET 51 -5.632 -6.784 -10.579 406 2HB MET 51 2HB MET 51 -4.734 -6.687 -12.086 407 1HG MET 51 1HG MET 51 -5.887 -4.320 -10.617 408 2HG MET 51 2HG MET 51 -4.213 -4.859 -10.509 409 1HE MET 51 1HE MET 51 -2.758 -4.071 -13.995 410 2HE MET 51 2HE MET 51 -3.313 -5.618 -13.359 411 3HE MET 51 3HE MET 51 -2.409 -4.511 -12.324 412 H ALA 52 H ALA 52 -5.282 -8.245 -12.892 413 HA ALA 52 HA ALA 52 -6.929 -10.107 -14.067 414 1HB ALA 52 1HB ALA 52 -4.488 -10.319 -13.963 415 2HB ALA 52 2HB ALA 52 -5.284 -11.797 -13.424 416 3HB ALA 52 3HB ALA 52 -4.591 -10.686 -12.241 417 H ALA 53 H ALA 53 -8.818 -10.810 -13.334 418 HA ALA 53 HA ALA 53 -9.673 -10.626 -10.664 419 1HB ALA 53 1HB ALA 53 -11.207 -10.553 -12.569 420 2HB ALA 53 2HB ALA 53 -11.682 -11.798 -11.413 421 3HB ALA 53 3HB ALA 53 -10.870 -12.250 -12.913 422 H ASP 54 H ASP 54 -8.290 -13.289 -12.497 423 HA ASP 54 HA ASP 54 -8.131 -14.840 -10.005 424 1HB ASP 54 1HB ASP 54 -10.012 -15.685 -11.472 425 2HB ASP 54 2HB ASP 54 -8.798 -16.099 -12.679 426 H THR 55 H THR 55 -5.996 -14.605 -9.660 427 HA THR 55 HA THR 55 -4.104 -15.221 -11.803 428 HB THR 55 HB THR 55 -2.388 -14.546 -10.058 429 HG1 THR 55 HG1 THR 55 -3.194 -14.468 -8.096 430 1HG2 THR 55 1HG2 THR 55 -3.127 -12.969 -11.778 431 2HG2 THR 55 2HG2 THR 55 -2.845 -12.139 -10.248 432 3HG2 THR 55 3HG2 THR 55 -4.492 -12.492 -10.768 433 HA PRO 56 HA PRO 56 -3.609 -19.352 -10.162 434 1HB PRO 56 1HB PRO 56 -1.398 -20.105 -11.507 435 2HB PRO 56 2HB PRO 56 -2.947 -19.869 -12.326 436 1HG PRO 56 1HG PRO 56 -0.600 -18.009 -12.147 437 2HG PRO 56 2HG PRO 56 -1.587 -18.427 -13.561 438 1HD PRO 56 1HD PRO 56 -1.948 -16.141 -12.110 439 2HD PRO 56 2HD PRO 56 -3.263 -16.955 -12.981 440 H LEU 57 H LEU 57 -1.940 -16.775 -9.177 441 HA LEU 57 HA LEU 57 -0.387 -18.250 -7.214 442 1HB LEU 57 1HB LEU 57 1.609 -16.749 -7.667 443 2HB LEU 57 2HB LEU 57 1.301 -18.000 -8.852 444 HG LEU 57 HG LEU 57 0.144 -16.205 -10.256 445 1HD1 LEU 57 1HD1 LEU 57 1.564 -14.371 -8.325 446 2HD1 LEU 57 2HD1 LEU 57 -0.180 -14.501 -8.563 447 3HD1 LEU 57 3HD1 LEU 57 0.843 -13.885 -9.859 448 1HD2 LEU 57 1HD2 LEU 57 2.252 -15.379 -11.170 449 2HD2 LEU 57 2HD2 LEU 57 2.337 -17.103 -10.808 450 3HD2 LEU 57 3HD2 LEU 57 3.101 -15.936 -9.728 451 HA PRO 58 HA PRO 58 -1.617 -14.826 -4.616 452 1HB PRO 58 1HB PRO 58 0.580 -14.493 -3.015 453 2HB PRO 58 2HB PRO 58 -0.588 -15.805 -2.804 454 1HG PRO 58 1HG PRO 58 2.086 -15.849 -4.160 455 2HG PRO 58 2HG PRO 58 1.368 -17.047 -3.066 456 1HD PRO 58 1HD PRO 58 1.386 -17.380 -5.752 457 2HD PRO 58 2HD PRO 58 0.054 -17.974 -4.738 458 H ILE 59 H ILE 59 -1.790 -12.944 -5.664 459 HA ILE 59 HA ILE 59 0.472 -11.885 -7.152 460 HB ILE 59 HB ILE 59 -1.603 -12.018 -8.352 461 1HG1 ILE 59 1HG1 ILE 59 -1.001 -9.126 -7.648 462 2HG1 ILE 59 2HG1 ILE 59 -0.185 -10.079 -8.880 463 1HG2 ILE 59 1HG2 ILE 59 -2.821 -10.285 -6.200 464 2HG2 ILE 59 2HG2 ILE 59 -3.139 -12.000 -6.462 465 3HG2 ILE 59 3HG2 ILE 59 -3.625 -10.818 -7.677 466 1HD1 ILE 59 1HD1 ILE 59 -1.783 -8.563 -9.874 467 2HD1 ILE 59 2HD1 ILE 59 -3.080 -9.259 -8.904 468 3HD1 ILE 59 3HD1 ILE 59 -2.278 -10.235 -10.136 469 H THR 60 H THR 60 1.485 -9.990 -6.771 470 HA THR 60 HA THR 60 0.860 -8.638 -4.230 471 HB THR 60 HB THR 60 3.459 -8.600 -5.792 472 HG1 THR 60 HG1 THR 60 2.785 -10.687 -4.849 473 1HG2 THR 60 1HG2 THR 60 4.410 -7.725 -3.700 474 2HG2 THR 60 2HG2 THR 60 2.805 -7.726 -2.968 475 3HG2 THR 60 3HG2 THR 60 3.154 -6.656 -4.326 476 H VAL 61 H VAL 61 0.150 -6.596 -4.266 477 HA VAL 61 HA VAL 61 0.702 -4.880 -6.584 478 HB VAL 61 HB VAL 61 -1.653 -4.041 -6.547 479 1HG1 VAL 61 1HG1 VAL 61 -1.362 -6.972 -7.216 480 2HG1 VAL 61 2HG1 VAL 61 -0.914 -5.623 -8.258 481 3HG1 VAL 61 3HG1 VAL 61 -2.606 -5.882 -7.833 482 1HG2 VAL 61 1HG2 VAL 61 -3.399 -5.437 -5.516 483 2HG2 VAL 61 2HG2 VAL 61 -2.295 -4.774 -4.312 484 3HG2 VAL 61 3HG2 VAL 61 -2.152 -6.462 -4.803 485 H GLU 62 H GLU 62 -0.311 -2.611 -6.060 486 HA GLU 62 HA GLU 62 0.986 -1.638 -3.709 487 1HB GLU 62 1HB GLU 62 0.930 -0.329 -5.775 488 2HB GLU 62 2HB GLU 62 -0.825 -0.259 -5.708 489 1HG GLU 62 1HG GLU 62 -0.712 1.069 -3.666 490 2HG GLU 62 2HG GLU 62 1.049 0.964 -3.685 491 H ALA 63 H ALA 63 0.155 -1.445 -1.730 492 HA ALA 63 HA ALA 63 -2.608 -2.101 -1.225 493 1HB ALA 63 1HB ALA 63 -0.507 -1.213 0.752 494 2HB ALA 63 2HB ALA 63 -0.748 -2.877 0.233 495 3HB ALA 63 3HB ALA 63 -2.026 -2.036 1.109 496 H ARG 64 H ARG 64 -4.102 -0.585 -1.599 497 HA ARG 64 HA ARG 64 -3.597 2.169 -0.662 498 1HB ARG 64 1HB ARG 64 -5.699 1.202 -2.604 499 2HB ARG 64 2HB ARG 64 -5.355 2.874 -2.196 500 1HG ARG 64 1HG ARG 64 -3.175 2.706 -3.261 501 2HG ARG 64 2HG ARG 64 -3.454 0.997 -3.605 502 1HD ARG 64 1HD ARG 64 -5.463 1.683 -4.939 503 2HD ARG 64 2HD ARG 64 -4.967 3.361 -4.718 504 HE ARG 64 HE ARG 64 -2.754 2.238 -5.767 505 1HH1 ARG 64 1HH1 ARG 64 -6.124 2.185 -6.739 506 2HH1 ARG 64 2HH1 ARG 64 -5.760 2.009 -8.430 507 1HH2 ARG 64 1HH2 ARG 64 -2.289 1.986 -7.998 508 2HH2 ARG 64 2HH2 ARG 64 -3.594 1.892 -9.142 509 H LYS 65 H LYS 65 -5.021 3.089 0.785 510 HA LYS 65 HA LYS 65 -6.804 1.166 2.141 511 1HB LYS 65 1HB LYS 65 -4.918 1.669 3.531 512 2HB LYS 65 2HB LYS 65 -5.062 3.391 3.218 513 1HG LYS 65 1HG LYS 65 -5.800 2.837 5.466 514 2HG LYS 65 2HG LYS 65 -7.133 3.473 4.503 515 1HD LYS 65 1HD LYS 65 -8.027 1.253 4.184 516 2HD LYS 65 2HD LYS 65 -6.624 0.531 4.977 517 1HE LYS 65 1HE LYS 65 -8.586 0.627 6.462 518 2HE LYS 65 2HE LYS 65 -7.235 1.573 7.083 519 1HZ LYS 65 1HZ LYS 65 -9.355 2.730 7.295 520 2HZ LYS 65 2HZ LYS 65 -9.568 2.687 5.617 521 3HZ LYS 65 3HZ LYS 65 -8.294 3.576 6.287 522 H LEU 66 H LEU 66 -8.905 1.643 2.107 523 HA LEU 66 HA LEU 66 -9.861 4.255 1.325 524 1HB LEU 66 1HB LEU 66 -11.359 1.808 2.302 525 2HB LEU 66 2HB LEU 66 -12.130 3.283 1.764 526 HG LEU 66 HG LEU 66 -12.296 1.728 -0.016 527 1HD1 LEU 66 1HD1 LEU 66 -11.092 2.813 -1.831 528 2HD1 LEU 66 2HD1 LEU 66 -10.046 3.627 -0.665 529 3HD1 LEU 66 3HD1 LEU 66 -11.771 3.996 -0.716 530 1HD2 LEU 66 1HD2 LEU 66 -10.583 0.150 0.683 531 2HD2 LEU 66 2HD2 LEU 66 -9.320 1.283 0.200 532 3HD2 LEU 66 3HD2 LEU 66 -10.390 0.582 -1.014
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