NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631380 | 5z8q | 36162 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1HT SER 1 -22.423 -27.969 -10.710 2 H2 SER 1 2HT SER 1 -23.237 -28.714 -9.422 3 H3 SER 1 3HT SER 1 -21.755 -27.942 -9.152 4 HA SER 1 HA SER 1 -24.262 -26.657 -9.985 5 HB2 SER 1 2HB SER 1 -22.771 -26.629 -7.349 6 HB3 SER 1 1HB SER 1 -24.263 -25.756 -7.702 7 HG SER 1 HG SER 1 -25.341 -27.497 -7.331 8 H LYS 2 H LYS 2 -24.045 -24.233 -9.690 9 HA LYS 2 HA LYS 2 -21.714 -23.294 -10.993 10 HB2 LYS 2 2HB LYS 2 -23.932 -22.299 -11.392 11 HB3 LYS 2 1HB LYS 2 -23.988 -21.748 -9.727 12 HG2 LYS 2 2HG LYS 2 -23.436 -19.935 -11.293 13 HG3 LYS 2 1HG LYS 2 -22.145 -20.223 -10.129 14 HD2 LYS 2 2HD LYS 2 -20.902 -21.503 -11.797 15 HD3 LYS 2 1HD LYS 2 -22.214 -21.279 -12.958 16 HE2 LYS 2 2HE LYS 2 -21.827 -18.897 -12.987 17 HE3 LYS 2 1HE LYS 2 -20.622 -19.039 -11.712 18 HZ1 LYS 2 1HZ LYS 2 -20.395 -20.218 -14.427 19 HZ2 LYS 2 2HZ LYS 2 -19.234 -20.330 -13.207 20 HZ3 LYS 2 3HZ LYS 2 -19.607 -18.833 -13.878 21 H GLU 3 H GLU 3 -22.663 -23.574 -7.697 22 HA GLU 3 HA GLU 3 -21.337 -21.456 -6.494 23 HB2 GLU 3 2HB GLU 3 -22.084 -24.163 -5.404 24 HB3 GLU 3 1HB GLU 3 -21.405 -22.899 -4.403 25 HG2 GLU 3 2HG GLU 3 -23.847 -23.032 -4.199 26 HG3 GLU 3 1HG GLU 3 -23.330 -21.477 -4.835 27 H GLU 4 H GLU 4 -20.100 -24.793 -6.928 28 HA GLU 4 HA GLU 4 -17.662 -24.230 -5.702 29 HB2 GLU 4 2HB GLU 4 -16.785 -26.243 -6.870 30 HB3 GLU 4 1HB GLU 4 -18.227 -26.526 -5.902 31 HG2 GLU 4 2HG GLU 4 -18.455 -26.053 -8.850 32 HG3 GLU 4 1HG GLU 4 -17.955 -27.630 -8.251 33 H ASP 5 H ASP 5 -18.669 -24.034 -9.037 34 HA ASP 5 HA ASP 5 -16.155 -23.553 -10.204 35 HB2 ASP 5 2HB ASP 5 -17.965 -24.091 -11.661 36 HB3 ASP 5 1HB ASP 5 -18.930 -22.744 -11.067 37 H GLU 6 H GLU 6 -18.523 -21.414 -8.861 38 HA GLU 6 HA GLU 6 -17.276 -18.961 -9.461 39 HB2 GLU 6 2HB GLU 6 -19.244 -19.801 -7.361 40 HB3 GLU 6 1HB GLU 6 -18.599 -18.164 -7.430 41 HG2 GLU 6 2HG GLU 6 -20.017 -19.523 -9.694 42 HG3 GLU 6 1HG GLU 6 -20.789 -18.428 -8.540 43 H LYS 7 H LYS 7 -17.172 -20.970 -6.578 44 HA LYS 7 HA LYS 7 -15.407 -19.289 -5.180 45 HB2 LYS 7 2HB LYS 7 -15.988 -22.222 -4.813 46 HB3 LYS 7 1HB LYS 7 -15.072 -21.234 -3.678 47 HG2 LYS 7 2HG LYS 7 -17.022 -19.825 -3.305 48 HG3 LYS 7 1HG LYS 7 -17.936 -20.764 -4.485 49 HD2 LYS 7 2HD LYS 7 -17.673 -22.756 -3.073 50 HD3 LYS 7 1HD LYS 7 -16.792 -21.789 -1.889 51 HE2 LYS 7 2HE LYS 7 -18.763 -20.366 -1.579 52 HE3 LYS 7 1HE LYS 7 -19.640 -21.322 -2.772 53 HZ1 LYS 7 1HZ LYS 7 -20.174 -21.980 -0.489 54 HZ2 LYS 7 2HZ LYS 7 -18.553 -22.343 -0.211 55 HZ3 LYS 7 3HZ LYS 7 -19.414 -23.250 -1.311 56 H GLU 8 H GLU 8 -14.822 -22.136 -7.207 57 HA GLU 8 HA GLU 8 -12.074 -22.373 -6.710 58 HB2 GLU 8 2HB GLU 8 -13.655 -23.135 -9.158 59 HB3 GLU 8 1HB GLU 8 -11.968 -23.555 -8.904 60 HG2 GLU 8 2HG GLU 8 -14.317 -24.428 -7.253 61 HG3 GLU 8 1HG GLU 8 -13.340 -25.419 -8.345 62 H SER 9 H SER 9 -13.772 -20.615 -9.259 63 HA SER 9 HA SER 9 -11.460 -19.746 -10.583 64 HB2 SER 9 2HB SER 9 -14.167 -18.413 -10.503 65 HB3 SER 9 1HB SER 9 -12.910 -18.212 -11.730 66 HG SER 9 HG SER 9 -14.634 -20.350 -11.256 67 H GLN 10 H GLN 10 -13.240 -18.410 -7.868 68 HA GLN 10 HA GLN 10 -11.798 -15.966 -7.755 69 HB2 GLN 10 2HB GLN 10 -13.404 -17.441 -5.677 70 HB3 GLN 10 1HB GLN 10 -12.677 -15.869 -5.394 71 HG2 GLN 10 2HG GLN 10 -14.022 -14.884 -7.122 72 HG3 GLN 10 1HG GLN 10 -14.677 -16.465 -7.556 73 HE21 GLN 10 1HE2 GLN 10 -16.118 -17.423 -6.228 74 HE22 GLN 10 2HE2 GLN 10 -16.992 -16.585 -4.993 75 H ARG 11 H ARG 11 -11.399 -19.123 -6.267 76 HA ARG 11 HA ARG 11 -9.235 -18.466 -4.585 77 HB2 ARG 11 2HB ARG 11 -9.914 -21.118 -5.885 78 HB3 ARG 11 1HB ARG 11 -8.724 -20.911 -4.606 79 HG2 ARG 11 2HG ARG 11 -10.407 -20.225 -3.053 80 HG3 ARG 11 1HG ARG 11 -11.621 -20.171 -4.326 81 HD2 ARG 11 2HD ARG 11 -11.930 -22.144 -3.037 82 HD3 ARG 11 1HD ARG 11 -11.332 -22.615 -4.632 83 HE ARG 11 HE ARG 11 -9.337 -22.342 -2.561 84 HH11 ARG 11 1HH1 ARG 11 -11.462 -24.629 -4.335 85 HH12 ARG 11 2HH1 ARG 11 -10.702 -25.979 -3.643 86 HH21 ARG 11 1HH2 ARG 11 -8.405 -24.212 -1.688 87 HH22 ARG 11 2HH2 ARG 11 -9.018 -25.773 -2.114 88 H ILE 12 H ILE 12 -9.390 -19.492 -7.934 89 HA ILE 12 HA ILE 12 -6.628 -19.667 -8.447 90 HB ILE 12 HB ILE 12 -8.859 -18.847 -10.333 91 HG12 ILE 12 2HG1 ILE 12 -7.514 -21.530 -9.880 92 HG13 ILE 12 1HG1 ILE 12 -9.118 -21.090 -9.322 93 HG21 ILE 12 1HG2 ILE 12 -6.030 -19.751 -10.972 94 HG22 ILE 12 2HG2 ILE 12 -6.663 -18.129 -11.212 95 HG23 ILE 12 3HG2 ILE 12 -7.300 -19.477 -12.161 96 HD11 ILE 12 1HD1 ILE 12 -9.843 -20.869 -11.653 97 HD12 ILE 12 2HD1 ILE 12 -9.245 -22.483 -11.285 98 HD13 ILE 12 3HD1 ILE 12 -8.233 -21.353 -12.189 99 H ALA 13 H ALA 13 -8.870 -16.951 -8.873 100 HA ALA 13 HA ALA 13 -6.999 -15.107 -9.746 101 HB1 ALA 13 1HB ALA 13 -9.419 -14.755 -9.933 102 HB2 ALA 13 2HB ALA 13 -8.640 -13.384 -9.143 103 HB3 ALA 13 3HB ALA 13 -9.529 -14.574 -8.185 104 H SER 14 H SER 14 -8.122 -15.858 -6.491 105 HA SER 14 HA SER 14 -6.675 -13.907 -5.107 106 HB2 SER 14 2HB SER 14 -7.552 -16.630 -4.123 107 HB3 SER 14 1HB SER 14 -7.103 -15.259 -3.110 108 HG SER 14 HG SER 14 -9.269 -15.346 -4.954 109 H LYS 15 H LYS 15 -5.812 -17.313 -5.870 110 HA LYS 15 HA LYS 15 -3.310 -17.346 -4.601 111 HB2 LYS 15 2HB LYS 15 -4.212 -18.773 -7.091 112 HB3 LYS 15 1HB LYS 15 -2.678 -19.093 -6.308 113 HG2 LYS 15 2HG LYS 15 -3.954 -19.771 -4.268 114 HG3 LYS 15 1HG LYS 15 -5.435 -19.602 -5.211 115 HD2 LYS 15 2HD LYS 15 -3.130 -21.424 -5.916 116 HD3 LYS 15 1HD LYS 15 -4.622 -21.939 -5.131 117 HE2 LYS 15 2HE LYS 15 -5.906 -21.378 -7.015 118 HE3 LYS 15 1HE LYS 15 -4.547 -20.579 -7.824 119 HZ1 LYS 15 1HZ LYS 15 -4.890 -22.742 -8.778 120 HZ2 LYS 15 2HZ LYS 15 -4.870 -23.495 -7.295 121 HZ3 LYS 15 3HZ LYS 15 -3.467 -22.801 -7.898 122 H ASN 16 H ASN 16 -4.174 -16.578 -7.916 123 HA ASN 16 HA ASN 16 -1.617 -16.129 -8.923 124 HB2 ASN 16 2HB ASN 16 -3.775 -16.385 -10.229 125 HB3 ASN 16 1HB ASN 16 -4.146 -14.722 -9.812 126 HD21 ASN 16 1HD2 ASN 16 -3.807 -15.881 -12.438 127 HD22 ASN 16 2HD2 ASN 16 -2.509 -15.006 -13.171 128 H GLN 17 H GLN 17 -3.956 -13.773 -7.598 129 HA GLN 17 HA GLN 17 -2.206 -11.588 -8.014 130 HB2 GLN 17 2HB GLN 17 -4.674 -11.370 -7.896 131 HB3 GLN 17 1HB GLN 17 -4.596 -11.708 -6.176 132 HG2 GLN 17 2HG GLN 17 -4.819 -9.310 -6.642 133 HG3 GLN 17 1HG GLN 17 -3.312 -9.685 -5.803 134 HE21 GLN 17 1HE2 GLN 17 -1.364 -9.426 -6.885 135 HE22 GLN 17 2HE2 GLN 17 -1.229 -8.581 -8.378 136 H LEU 18 H LEU 18 -2.887 -13.584 -5.172 137 HA LEU 18 HA LEU 18 -1.348 -12.103 -3.357 138 HB2 LEU 18 2HB LEU 18 -3.038 -13.706 -2.644 139 HB3 LEU 18 1HB LEU 18 -2.205 -15.007 -3.435 140 HG LEU 18 HG LEU 18 -2.176 -14.930 -0.891 141 HD11 LEU 18 1HD1 LEU 18 -0.774 -16.423 -2.117 142 HD12 LEU 18 2HD1 LEU 18 0.100 -15.768 -0.732 143 HD13 LEU 18 3HD1 LEU 18 0.432 -15.155 -2.357 144 HD21 LEU 18 1HD2 LEU 18 -1.672 -12.567 -0.607 145 HD22 LEU 18 2HD2 LEU 18 -0.114 -12.785 -1.403 146 HD23 LEU 18 3HD2 LEU 18 -0.425 -13.558 0.151 147 H GLU 19 H GLU 19 -0.551 -14.797 -5.480 148 HA GLU 19 HA GLU 19 2.123 -15.190 -4.788 149 HB2 GLU 19 2HB GLU 19 0.844 -16.710 -6.193 150 HB3 GLU 19 1HB GLU 19 0.696 -15.480 -7.429 151 HG2 GLU 19 2HG GLU 19 3.102 -15.575 -7.803 152 HG3 GLU 19 1HG GLU 19 3.238 -16.820 -6.559 153 H SER 20 H SER 20 0.652 -13.097 -7.234 154 HA SER 20 HA SER 20 3.008 -11.992 -8.278 155 HB2 SER 20 2HB SER 20 0.277 -10.694 -8.087 156 HB3 SER 20 1HB SER 20 1.580 -10.204 -9.167 157 HG SER 20 HG SER 20 0.754 -12.871 -9.278 158 H ILE 21 H ILE 21 0.998 -10.915 -5.556 159 HA ILE 21 HA ILE 21 2.406 -8.554 -5.128 160 HB ILE 21 HB ILE 21 0.527 -10.116 -3.375 161 HG12 ILE 21 2HG1 ILE 21 0.381 -7.533 -4.934 162 HG13 ILE 21 1HG1 ILE 21 -0.350 -9.067 -5.375 163 HG21 ILE 21 1HG2 ILE 21 1.786 -7.420 -2.787 164 HG22 ILE 21 2HG2 ILE 21 2.104 -8.907 -1.901 165 HG23 ILE 21 3HG2 ILE 21 0.493 -8.180 -1.854 166 HD11 ILE 21 1HD1 ILE 21 -1.940 -7.489 -4.494 167 HD12 ILE 21 2HD1 ILE 21 -0.999 -7.428 -2.988 168 HD13 ILE 21 3HD1 ILE 21 -1.799 -8.934 -3.474 169 H ALA 22 H ALA 22 2.885 -11.814 -3.880 170 HA ALA 22 HA ALA 22 4.847 -11.209 -1.962 171 HB1 ALA 22 1HB ALA 22 5.528 -13.564 -2.167 172 HB2 ALA 22 2HB ALA 22 4.593 -13.708 -3.655 173 HB3 ALA 22 3HB ALA 22 3.773 -13.418 -2.122 174 H TYR 23 H TYR 23 5.121 -11.935 -5.433 175 HA TYR 23 HA TYR 23 7.932 -11.600 -5.491 176 HB2 TYR 23 2HB TYR 23 5.877 -11.543 -7.694 177 HB3 TYR 23 1HB TYR 23 7.592 -11.301 -8.003 178 HD1 TYR 23 1HD TYR 23 4.984 -13.713 -7.548 179 HD2 TYR 23 2HD TYR 23 9.190 -13.164 -7.308 180 HE1 TYR 23 1HE TYR 23 5.307 -16.146 -7.669 181 HE2 TYR 23 2HE TYR 23 9.521 -15.595 -7.430 182 HH TYR 23 HH TYR 23 7.060 -17.706 -8.340 183 H SER 24 H SER 24 5.262 -9.397 -5.809 184 HA SER 24 HA SER 24 6.674 -7.171 -6.814 185 HB2 SER 24 2HB SER 24 4.199 -7.198 -5.058 186 HB3 SER 24 1HB SER 24 4.754 -5.846 -6.047 187 HG SER 24 HG SER 24 4.009 -8.415 -7.031 188 H LEU 25 H LEU 25 6.053 -8.297 -3.522 189 HA LEU 25 HA LEU 25 7.206 -6.157 -2.086 190 HB2 LEU 25 2HB LEU 25 5.780 -8.028 -1.169 191 HB3 LEU 25 1HB LEU 25 7.161 -9.085 -1.368 192 HG LEU 25 HG LEU 25 8.398 -7.935 0.348 193 HD11 LEU 25 1HD1 LEU 25 7.408 -6.047 1.580 194 HD12 LEU 25 2HD1 LEU 25 6.049 -6.025 0.454 195 HD13 LEU 25 3HD1 LEU 25 7.678 -5.645 -0.112 196 HD21 LEU 25 1HD2 LEU 25 5.540 -8.391 1.188 197 HD22 LEU 25 2HD2 LEU 25 6.916 -8.314 2.273 198 HD23 LEU 25 3HD2 LEU 25 6.793 -9.623 1.100 199 H LYS 26 H LYS 26 8.636 -9.153 -3.346 200 HA LYS 26 HA LYS 26 11.232 -8.444 -2.391 201 HB2 LYS 26 2HB LYS 26 10.499 -10.457 -4.534 202 HB3 LYS 26 1HB LYS 26 12.096 -10.272 -3.824 203 HG2 LYS 26 2HG LYS 26 11.101 -10.836 -1.597 204 HG3 LYS 26 1HG LYS 26 9.576 -11.153 -2.407 205 HD2 LYS 26 2HD LYS 26 10.746 -13.248 -2.044 206 HD3 LYS 26 1HD LYS 26 10.717 -12.900 -3.773 207 HE2 LYS 26 2HE LYS 26 13.040 -12.019 -3.598 208 HE3 LYS 26 1HE LYS 26 13.042 -12.428 -1.885 209 HZ1 LYS 26 1HZ LYS 26 12.814 -14.340 -4.146 210 HZ2 LYS 26 2HZ LYS 26 12.854 -14.805 -2.522 211 HZ3 LYS 26 3HZ LYS 26 14.180 -14.073 -3.223 212 H ASN 27 H ASN 27 9.574 -7.945 -5.409 213 HA ASN 27 HA ASN 27 11.671 -6.916 -6.993 214 HB2 ASN 27 2HB ASN 27 9.352 -7.565 -7.786 215 HB3 ASN 27 1HB ASN 27 8.743 -6.107 -7.036 216 HD21 ASN 27 1HD2 ASN 27 8.590 -6.970 -9.803 217 HD22 ASN 27 2HD2 ASN 27 9.333 -5.744 -10.744 218 H THR 28 H THR 28 9.518 -5.390 -4.672 219 HA THR 28 HA THR 28 10.415 -2.759 -5.120 220 HB THR 28 HB THR 28 9.196 -3.886 -2.582 221 HG1 THR 28 1HG THR 28 7.804 -4.345 -4.300 222 HG21 THR 28 1HG2 THR 28 9.174 -1.102 -3.768 223 HG22 THR 28 2HG2 THR 28 10.123 -1.611 -2.372 224 HG23 THR 28 3HG2 THR 28 8.360 -1.593 -2.282 225 H ILE 29 H ILE 29 11.443 -5.288 -2.761 226 HA ILE 29 HA ILE 29 13.376 -3.716 -1.596 227 HB ILE 29 HB ILE 29 12.808 -6.665 -1.507 228 HG12 ILE 29 2HG1 ILE 29 12.904 -6.242 0.894 229 HG13 ILE 29 1HG1 ILE 29 13.363 -4.571 0.555 230 HG21 ILE 29 1HG2 ILE 29 14.726 -7.233 -0.278 231 HG22 ILE 29 2HG2 ILE 29 15.439 -5.660 -0.647 232 HG23 ILE 29 3HG2 ILE 29 15.107 -6.807 -1.949 233 HD11 ILE 29 1HD1 ILE 29 10.759 -5.888 -0.129 234 HD12 ILE 29 2HD1 ILE 29 11.208 -4.231 -0.527 235 HD13 ILE 29 3HD1 ILE 29 11.033 -4.714 1.164 236 H SER 30 H SER 30 13.448 -5.331 -4.618 237 HA SER 30 HA SER 30 16.169 -5.560 -5.051 238 HB2 SER 30 2HB SER 30 13.999 -4.888 -7.050 239 HB3 SER 30 1HB SER 30 15.588 -5.555 -7.434 240 HG SER 30 HG SER 30 14.928 -7.276 -5.908 241 H GLU 31 H GLU 31 14.218 -2.626 -4.956 242 HA GLU 31 HA GLU 31 16.581 -1.162 -5.915 243 HB2 GLU 31 2HB GLU 31 15.142 0.683 -6.529 244 HB3 GLU 31 1HB GLU 31 14.466 -0.786 -7.200 245 HG2 GLU 31 2HG GLU 31 12.551 0.186 -6.435 246 HG3 GLU 31 1HG GLU 31 13.018 -0.685 -4.977 247 H ALA 32 H ALA 32 15.219 -2.173 -3.247 248 HA ALA 32 HA ALA 32 15.344 0.200 -1.612 249 HB1 ALA 32 1HB ALA 32 13.525 -1.458 -1.347 250 HB2 ALA 32 2HB ALA 32 14.418 -1.115 0.132 251 HB3 ALA 32 3HB ALA 32 14.737 -2.603 -0.748 252 H GLY 33 H GLY 33 17.669 -1.762 -2.715 253 HA2 GLY 33 2HA GLY 33 19.166 -2.998 -0.874 254 HA3 GLY 33 1HA GLY 33 19.891 -2.000 -2.113 255 H ASP 34 H ASP 34 19.779 0.460 -1.388 256 HA ASP 34 HA ASP 34 21.230 0.528 1.146 257 HB2 ASP 34 2HB ASP 34 22.250 1.575 -0.822 258 HB3 ASP 34 1HB ASP 34 20.864 2.640 -0.992 259 H LYS 35 H LYS 35 18.138 1.013 0.161 260 HA LYS 35 HA LYS 35 17.544 3.359 1.765 261 HB2 LYS 35 2HB LYS 35 15.789 1.640 0.017 262 HB3 LYS 35 1HB LYS 35 15.300 3.148 0.790 263 HG2 LYS 35 2HG LYS 35 16.811 4.423 -0.504 264 HG3 LYS 35 1HG LYS 35 17.630 2.981 -1.092 265 HD2 LYS 35 2HD LYS 35 16.221 3.942 -2.814 266 HD3 LYS 35 1HD LYS 35 15.618 2.358 -2.337 267 HE2 LYS 35 2HE LYS 35 13.891 3.401 -1.002 268 HE3 LYS 35 1HE LYS 35 14.512 5.003 -1.375 269 HZ1 LYS 35 1HZ LYS 35 13.449 3.046 -3.324 270 HZ2 LYS 35 2HZ LYS 35 14.005 4.596 -3.715 271 HZ3 LYS 35 3HZ LYS 35 12.631 4.399 -2.760 272 H LEU 36 H LEU 36 17.225 -0.079 1.950 273 HA LEU 36 HA LEU 36 15.850 0.238 4.517 274 HB2 LEU 36 2HB LEU 36 15.677 -2.048 2.564 275 HB3 LEU 36 1HB LEU 36 15.130 -2.159 4.222 276 HG LEU 36 HG LEU 36 14.032 -0.310 2.123 277 HD11 LEU 36 1HD1 LEU 36 12.029 -1.724 2.275 278 HD12 LEU 36 2HD1 LEU 36 12.861 -2.774 3.418 279 HD13 LEU 36 3HD1 LEU 36 13.433 -2.655 1.754 280 HD21 LEU 36 1HD2 LEU 36 13.869 0.730 4.294 281 HD22 LEU 36 2HD2 LEU 36 13.238 -0.756 4.995 282 HD23 LEU 36 3HD2 LEU 36 12.271 0.143 3.835 283 H GLU 37 H GLU 37 16.303 -1.512 6.041 284 HA GLU 37 HA GLU 37 19.172 -1.858 6.208 285 HB2 GLU 37 2HB GLU 37 16.958 -2.440 8.184 286 HB3 GLU 37 1HB GLU 37 18.686 -2.380 8.520 287 HG2 GLU 37 2HG GLU 37 18.778 -0.066 8.255 288 HG3 GLU 37 1HG GLU 37 17.188 -0.003 7.490 289 H GLN 38 H GLN 38 19.852 -4.082 6.923 290 HA GLN 38 HA GLN 38 18.867 -5.906 5.010 291 HB2 GLN 38 2HB GLN 38 20.797 -6.354 7.281 292 HB3 GLN 38 1HB GLN 38 20.482 -7.508 5.992 293 HG2 GLN 38 2HG GLN 38 21.657 -4.750 5.680 294 HG3 GLN 38 1HG GLN 38 22.518 -6.279 5.531 295 HE21 GLN 38 1HE2 GLN 38 22.122 -7.575 3.710 296 HE22 GLN 38 2HE2 GLN 38 21.420 -6.942 2.281 297 H ALA 39 H ALA 39 18.250 -5.493 8.377 298 HA ALA 39 HA ALA 39 17.125 -8.052 8.827 299 HB1 ALA 39 1HB ALA 39 18.012 -6.651 10.642 300 HB2 ALA 39 2HB ALA 39 16.363 -7.190 10.953 301 HB3 ALA 39 3HB ALA 39 16.663 -5.540 10.416 302 H ASP 40 H ASP 40 15.476 -4.890 8.366 303 HA ASP 40 HA ASP 40 12.947 -6.172 8.413 304 HB2 ASP 40 2HB ASP 40 12.026 -3.960 7.644 305 HB3 ASP 40 1HB ASP 40 12.965 -3.883 9.124 306 H LYS 41 H LYS 41 15.158 -5.275 5.922 307 HA LYS 41 HA LYS 41 13.567 -5.726 3.679 308 HB2 LYS 41 2HB LYS 41 15.757 -4.716 3.604 309 HB3 LYS 41 1HB LYS 41 16.498 -6.212 4.145 310 HG2 LYS 41 2HG LYS 41 15.717 -7.279 2.060 311 HG3 LYS 41 1HG LYS 41 15.148 -5.746 1.465 312 HD2 LYS 41 2HD LYS 41 18.001 -6.418 2.259 313 HD3 LYS 41 1HD LYS 41 17.395 -6.213 0.619 314 HE2 LYS 41 2HE LYS 41 16.959 -3.853 1.047 315 HE3 LYS 41 1HE LYS 41 17.451 -4.047 2.728 316 HZ1 LYS 41 1HZ LYS 41 19.667 -4.557 2.027 317 HZ2 LYS 41 2HZ LYS 41 19.237 -3.099 1.343 318 HZ3 LYS 41 3HZ LYS 41 19.244 -4.511 0.407 319 H ASP 42 H ASP 42 15.609 -7.985 5.607 320 HA ASP 42 HA ASP 42 14.981 -10.241 3.992 321 HB2 ASP 42 2HB ASP 42 16.979 -10.217 5.459 322 HB3 ASP 42 1HB ASP 42 15.931 -10.163 6.868 323 H THR 43 H THR 43 13.559 -8.813 6.822 324 HA THR 43 HA THR 43 11.836 -10.876 7.564 325 HB THR 43 HB THR 43 11.413 -7.885 7.824 326 HG1 THR 43 1HG THR 43 13.334 -8.854 8.817 327 HG21 THR 43 1HG2 THR 43 9.309 -9.106 8.167 328 HG22 THR 43 2HG2 THR 43 9.902 -8.466 9.698 329 HG23 THR 43 3HG2 THR 43 10.111 -10.177 9.316 330 H VAL 44 H VAL 44 11.216 -8.174 5.296 331 HA VAL 44 HA VAL 44 8.590 -9.098 4.761 332 HB VAL 44 HB VAL 44 8.800 -7.622 2.662 333 HG11 VAL 44 1HG1 VAL 44 8.951 -6.474 5.448 334 HG12 VAL 44 2HG1 VAL 44 7.486 -7.054 4.649 335 HG13 VAL 44 3HG1 VAL 44 8.312 -5.611 4.049 336 HG21 VAL 44 1HG2 VAL 44 11.193 -7.334 2.630 337 HG22 VAL 44 2HG2 VAL 44 11.166 -6.633 4.246 338 HG23 VAL 44 3HG2 VAL 44 10.420 -5.772 2.903 339 H THR 45 H THR 45 11.571 -9.352 2.853 340 HA THR 45 HA THR 45 10.286 -10.673 0.775 341 HB THR 45 HB THR 45 12.509 -11.323 0.053 342 HG1 THR 45 1HG THR 45 13.777 -11.510 1.834 343 HG21 THR 45 1HG2 THR 45 13.296 -9.050 -0.414 344 HG22 THR 45 2HG2 THR 45 12.293 -8.441 0.896 345 HG23 THR 45 3HG2 THR 45 11.533 -9.135 -0.531 346 H LYS 46 H LYS 46 11.883 -11.884 3.671 347 HA LYS 46 HA LYS 46 11.899 -14.631 3.013 348 HB2 LYS 46 2HB LYS 46 12.858 -13.321 5.106 349 HB3 LYS 46 1HB LYS 46 11.296 -13.709 5.798 350 HG2 LYS 46 2HG LYS 46 12.351 -15.564 6.524 351 HG3 LYS 46 1HG LYS 46 12.063 -16.143 4.880 352 HD2 LYS 46 2HD LYS 46 14.569 -14.751 5.856 353 HD3 LYS 46 1HD LYS 46 14.402 -16.472 5.525 354 HE2 LYS 46 2HE LYS 46 14.144 -16.076 3.202 355 HE3 LYS 46 1HE LYS 46 13.940 -14.343 3.464 356 HZ1 LYS 46 1HZ LYS 46 16.163 -14.899 2.650 357 HZ2 LYS 46 2HZ LYS 46 16.445 -15.826 4.049 358 HZ3 LYS 46 3HZ LYS 46 16.175 -14.172 4.174 359 H LYS 47 H LYS 47 9.543 -12.503 4.533 360 HA LYS 47 HA LYS 47 7.635 -14.487 5.146 361 HB2 LYS 47 2HB LYS 47 7.783 -12.006 5.962 362 HB3 LYS 47 1HB LYS 47 6.852 -11.661 4.509 363 HG2 LYS 47 2HG LYS 47 5.204 -13.389 5.280 364 HG3 LYS 47 1HG LYS 47 6.091 -13.416 6.802 365 HD2 LYS 47 2HD LYS 47 5.686 -10.905 6.884 366 HD3 LYS 47 1HD LYS 47 4.504 -11.174 5.599 367 HE2 LYS 47 2HE LYS 47 4.482 -12.279 8.405 368 HE3 LYS 47 1HE LYS 47 3.311 -11.223 7.629 369 HZ1 LYS 47 1HZ LYS 47 3.778 -14.033 6.752 370 HZ2 LYS 47 2HZ LYS 47 2.446 -13.038 6.344 371 HZ3 LYS 47 3HZ LYS 47 2.647 -13.576 7.873 372 H ALA 48 H ALA 48 8.227 -12.442 2.381 373 HA ALA 48 HA ALA 48 5.938 -13.026 0.846 374 HB1 ALA 48 1HB ALA 48 8.747 -12.372 -0.100 375 HB2 ALA 48 2HB ALA 48 7.500 -11.198 0.283 376 HB3 ALA 48 3HB ALA 48 7.290 -12.285 -1.087 377 H GLU 49 H GLU 49 9.053 -14.621 1.060 378 HA GLU 49 HA GLU 49 8.437 -16.561 -0.906 379 HB2 GLU 49 2HB GLU 49 10.517 -16.666 1.273 380 HB3 GLU 49 1HB GLU 49 10.466 -17.671 -0.178 381 HG2 GLU 49 2HG GLU 49 10.634 -15.658 -1.560 382 HG3 GLU 49 1HG GLU 49 10.771 -14.691 -0.097 383 H GLU 50 H GLU 50 8.085 -16.424 2.580 384 HA GLU 50 HA GLU 50 7.238 -19.076 3.011 385 HB2 GLU 50 2HB GLU 50 6.495 -16.513 4.414 386 HB3 GLU 50 1HB GLU 50 6.001 -18.095 4.971 387 HG2 GLU 50 2HG GLU 50 8.358 -18.687 5.316 388 HG3 GLU 50 1HG GLU 50 8.820 -17.074 4.758 389 H THR 51 H THR 51 5.690 -16.166 2.009 390 HA THR 51 HA THR 51 3.078 -17.013 2.124 391 HB THR 51 HB THR 51 4.354 -14.869 0.431 392 HG1 THR 51 1HG THR 51 4.635 -14.326 2.488 393 HG21 THR 51 1HG2 THR 51 2.117 -13.845 0.365 394 HG22 THR 51 2HG2 THR 51 1.453 -15.268 1.173 395 HG23 THR 51 3HG2 THR 51 2.147 -15.408 -0.446 396 H ILE 52 H ILE 52 5.450 -17.065 -0.467 397 HA ILE 52 HA ILE 52 3.864 -18.154 -2.537 398 HB ILE 52 HB ILE 52 6.864 -18.396 -2.073 399 HG12 ILE 52 2HG1 ILE 52 5.310 -16.442 -3.784 400 HG13 ILE 52 1HG1 ILE 52 6.017 -16.069 -2.218 401 HG21 ILE 52 1HG2 ILE 52 5.281 -18.841 -4.606 402 HG22 ILE 52 2HG2 ILE 52 6.094 -20.083 -3.655 403 HG23 ILE 52 3HG2 ILE 52 7.041 -18.843 -4.481 404 HD11 ILE 52 1HD1 ILE 52 8.252 -16.492 -3.144 405 HD12 ILE 52 2HD1 ILE 52 7.398 -15.223 -4.021 406 HD13 ILE 52 3HD1 ILE 52 7.522 -16.839 -4.712 407 H SER 53 H SER 53 6.016 -19.677 -0.134 408 HA SER 53 HA SER 53 5.573 -22.330 -0.897 409 HB2 SER 53 2HB SER 53 6.288 -21.223 1.820 410 HB3 SER 53 1HB SER 53 6.562 -22.880 1.267 411 HG SER 53 HG SER 53 7.712 -21.645 -0.542 412 H TRP 54 H TRP 54 3.873 -20.224 1.380 413 HA TRP 54 HA TRP 54 2.156 -22.104 2.525 414 HB2 TRP 54 2HB TRP 54 2.422 -19.773 3.390 415 HB3 TRP 54 1HB TRP 54 1.565 -19.170 1.981 416 HD1 TRP 54 HD TRP 54 0.978 -20.963 5.295 417 HE1 TRP 54 1HE TRP 54 -1.540 -20.921 5.833 418 HE3 TRP 54 3HE TRP 54 -0.768 -19.073 0.880 419 HZ2 TRP 54 2HZ TRP 54 -3.946 -20.201 4.537 420 HZ3 TRP 54 3HZ TRP 54 -3.186 -18.744 0.620 421 HH2 TRP 54 HH TRP 54 -4.737 -19.294 2.408 422 H LEU 55 H LEU 55 1.831 -20.159 -0.389 423 HA LEU 55 HA LEU 55 -0.810 -20.865 -1.030 424 HB2 LEU 55 2HB LEU 55 0.499 -18.955 -1.974 425 HB3 LEU 55 1HB LEU 55 1.448 -20.091 -2.891 426 HG LEU 55 HG LEU 55 -1.530 -19.723 -3.321 427 HD11 LEU 55 1HD1 LEU 55 0.788 -18.389 -4.689 428 HD12 LEU 55 2HD1 LEU 55 -0.448 -17.621 -3.679 429 HD13 LEU 55 3HD1 LEU 55 -0.892 -18.332 -5.224 430 HD21 LEU 55 1HD2 LEU 55 -1.056 -20.690 -5.525 431 HD22 LEU 55 2HD2 LEU 55 -0.600 -21.805 -4.239 432 HD23 LEU 55 3HD2 LEU 55 0.642 -20.881 -5.084 433 H ASP 56 H ASP 56 2.261 -22.396 -1.790 434 HA ASP 56 HA ASP 56 1.093 -24.346 -3.540 435 HB2 ASP 56 2HB ASP 56 3.408 -23.720 -3.873 436 HB3 ASP 56 1HB ASP 56 3.821 -24.226 -2.239 437 H SER 57 H SER 57 1.788 -24.155 -0.144 438 HA SER 57 HA SER 57 1.464 -26.953 0.228 439 HB2 SER 57 2HB SER 57 3.045 -25.640 1.605 440 HB3 SER 57 1HB SER 57 1.702 -24.707 2.250 441 HG SER 57 HG SER 57 2.110 -27.489 2.523 442 H ASN 58 H ASN 58 -0.524 -24.100 0.328 443 HA ASN 58 HA ASN 58 -2.708 -25.638 1.498 444 HB2 ASN 58 2HB ASN 58 -1.834 -22.839 2.136 445 HB3 ASN 58 1HB ASN 58 -3.459 -23.418 2.492 446 HD21 ASN 58 1HD2 ASN 58 -1.111 -22.642 4.157 447 HD22 ASN 58 2HD2 ASN 58 -0.931 -23.946 5.267 448 H THR 59 H THR 59 -2.157 -25.375 -1.197 449 HA THR 59 HA THR 59 -3.684 -23.513 -2.609 450 HB THR 59 HB THR 59 -3.538 -26.399 -3.382 451 HG1 THR 59 1HG THR 59 -1.372 -24.551 -3.038 452 HG21 THR 59 1HG2 THR 59 -2.944 -25.395 -5.524 453 HG22 THR 59 2HG2 THR 59 -2.889 -23.809 -4.748 454 HG23 THR 59 3HG2 THR 59 -4.433 -24.661 -4.900 455 H THR 60 H THR 60 -4.512 -26.276 -0.645 456 HA THR 60 HA THR 60 -7.155 -26.729 -1.520 457 HB THR 60 HB THR 60 -6.961 -28.103 0.703 458 HG1 THR 60 1HG THR 60 -5.021 -27.960 1.615 459 HG21 THR 60 1HG2 THR 60 -6.947 -29.074 -1.573 460 HG22 THR 60 2HG2 THR 60 -5.738 -29.859 -0.556 461 HG23 THR 60 3HG2 THR 60 -5.244 -28.650 -1.739 462 H ALA 61 H ALA 61 -6.022 -24.079 0.063 463 HA ALA 61 HA ALA 61 -8.097 -23.951 2.098 464 HB1 ALA 61 1HB ALA 61 -5.986 -21.932 1.304 465 HB2 ALA 61 2HB ALA 61 -5.845 -23.095 2.622 466 HB3 ALA 61 3HB ALA 61 -7.052 -21.812 2.704 467 H SER 62 H SER 62 -9.568 -22.009 2.093 468 HA SER 62 HA SER 62 -10.685 -21.742 -0.555 469 HB2 SER 62 2HB SER 62 -12.522 -20.615 0.590 470 HB3 SER 62 1HB SER 62 -12.129 -22.121 1.413 471 HG SER 62 HG SER 62 -11.058 -20.967 2.977 472 H LYS 63 H LYS 63 -11.560 -19.356 -1.102 473 HA LYS 63 HA LYS 63 -9.154 -17.868 -1.416 474 HB2 LYS 63 2HB LYS 63 -10.223 -16.408 -2.890 475 HB3 LYS 63 1HB LYS 63 -11.060 -17.922 -3.117 476 HG2 LYS 63 2HG LYS 63 -12.085 -15.537 -1.582 477 HG3 LYS 63 1HG LYS 63 -12.552 -15.994 -3.211 478 HD2 LYS 63 2HD LYS 63 -13.390 -18.143 -2.244 479 HD3 LYS 63 1HD LYS 63 -13.126 -17.448 -0.638 480 HE2 LYS 63 2HE LYS 63 -14.992 -16.501 -2.809 481 HE3 LYS 63 1HE LYS 63 -15.412 -17.093 -1.204 482 HZ1 LYS 63 1HZ LYS 63 -14.015 -14.548 -1.826 483 HZ2 LYS 63 2HZ LYS 63 -14.295 -15.100 -0.273 484 HZ3 LYS 63 3HZ LYS 63 -15.593 -14.714 -1.275 485 H GLU 64 H GLU 64 -11.566 -17.796 0.913 486 HA GLU 64 HA GLU 64 -11.169 -15.207 2.002 487 HB2 GLU 64 2HB GLU 64 -11.934 -17.777 3.399 488 HB3 GLU 64 1HB GLU 64 -12.061 -16.168 4.093 489 HG2 GLU 64 2HG GLU 64 -13.554 -17.189 1.698 490 HG3 GLU 64 1HG GLU 64 -14.212 -16.952 3.318 491 H GLU 65 H GLU 65 -9.572 -18.266 2.392 492 HA GLU 65 HA GLU 65 -7.859 -17.449 4.510 493 HB2 GLU 65 2HB GLU 65 -7.872 -19.855 2.697 494 HB3 GLU 65 1HB GLU 65 -6.822 -19.676 4.108 495 HG2 GLU 65 2HG GLU 65 -8.659 -19.675 5.597 496 HG3 GLU 65 1HG GLU 65 -9.813 -19.473 4.285 497 H PHE 66 H PHE 66 -7.573 -17.758 0.998 498 HA PHE 66 HA PHE 66 -4.855 -16.969 0.888 499 HB2 PHE 66 2HB PHE 66 -7.044 -16.765 -1.202 500 HB3 PHE 66 1HB PHE 66 -5.392 -16.246 -1.511 501 HD1 PHE 66 1HD PHE 66 -3.531 -17.945 -1.319 502 HD2 PHE 66 2HD PHE 66 -7.660 -19.076 -1.418 503 HE1 PHE 66 1HE PHE 66 -2.917 -20.244 -1.904 504 HE2 PHE 66 2HE PHE 66 -7.022 -21.334 -1.999 505 HZ PHE 66 HZ PHE 66 -4.670 -21.934 -2.244 506 H ASP 67 H ASP 67 -7.862 -15.151 0.903 507 HA ASP 67 HA ASP 67 -6.778 -12.568 0.677 508 HB2 ASP 67 2HB ASP 67 -9.188 -12.907 0.517 509 HB3 ASP 67 1HB ASP 67 -9.244 -13.501 2.171 510 H ASP 68 H ASP 68 -7.332 -14.640 3.455 511 HA ASP 68 HA ASP 68 -6.606 -12.866 5.498 512 HB2 ASP 68 2HB ASP 68 -7.649 -15.045 5.959 513 HB3 ASP 68 1HB ASP 68 -6.189 -15.858 5.417 514 H LYS 69 H LYS 69 -4.617 -15.199 3.725 515 HA LYS 69 HA LYS 69 -2.177 -14.583 4.901 516 HB2 LYS 69 2HB LYS 69 -2.476 -16.585 3.568 517 HB3 LYS 69 1HB LYS 69 -2.840 -15.632 2.146 518 HG2 LYS 69 2HG LYS 69 -0.582 -16.613 2.085 519 HG3 LYS 69 1HG LYS 69 -0.565 -14.855 2.013 520 HD2 LYS 69 2HD LYS 69 1.202 -15.694 3.477 521 HD3 LYS 69 1HD LYS 69 0.026 -14.756 4.389 522 HE2 LYS 69 2HE LYS 69 -1.023 -16.842 5.147 523 HE3 LYS 69 1HE LYS 69 0.174 -17.765 4.243 524 HZ1 LYS 69 1HZ LYS 69 0.750 -15.913 6.496 525 HZ2 LYS 69 2HZ LYS 69 1.900 -16.781 5.633 526 HZ3 LYS 69 3HZ LYS 69 0.766 -17.601 6.570 527 H LEU 70 H LEU 70 -3.777 -13.202 2.085 528 HA LEU 70 HA LEU 70 -1.751 -11.448 1.295 529 HB2 LEU 70 2HB LEU 70 -3.746 -12.011 -0.076 530 HB3 LEU 70 1HB LEU 70 -4.760 -11.148 1.046 531 HG LEU 70 HG LEU 70 -4.294 -10.014 -1.174 532 HD11 LEU 70 1HD1 LEU 70 -3.553 -8.454 1.289 533 HD12 LEU 70 2HD1 LEU 70 -5.185 -8.738 0.685 534 HD13 LEU 70 3HD1 LEU 70 -4.051 -7.775 -0.262 535 HD21 LEU 70 1HD2 LEU 70 -2.171 -8.786 -1.364 536 HD22 LEU 70 2HD2 LEU 70 -1.961 -10.533 -1.423 537 HD23 LEU 70 3HD2 LEU 70 -1.568 -9.645 0.053 538 H LYS 71 H LYS 71 -4.400 -11.010 3.550 539 HA LYS 71 HA LYS 71 -3.940 -8.309 4.159 540 HB2 LYS 71 2HB LYS 71 -5.241 -10.445 5.848 541 HB3 LYS 71 1HB LYS 71 -5.325 -8.716 6.152 542 HG2 LYS 71 2HG LYS 71 -6.335 -10.049 3.650 543 HG3 LYS 71 1HG LYS 71 -7.344 -9.665 5.040 544 HD2 LYS 71 2HD LYS 71 -6.913 -7.301 4.745 545 HD3 LYS 71 1HD LYS 71 -5.753 -7.636 3.462 546 HE2 LYS 71 2HE LYS 71 -7.941 -6.895 2.595 547 HE3 LYS 71 1HE LYS 71 -7.489 -8.498 2.039 548 HZ1 LYS 71 1HZ LYS 71 -9.835 -8.239 2.742 549 HZ2 LYS 71 2HZ LYS 71 -9.333 -8.092 4.353 550 HZ3 LYS 71 3HZ LYS 71 -9.019 -9.504 3.458 551 H GLU 72 H GLU 72 -2.786 -11.251 5.813 552 HA GLU 72 HA GLU 72 -1.433 -9.670 7.753 553 HB2 GLU 72 2HB GLU 72 -0.446 -11.836 8.571 554 HB3 GLU 72 1HB GLU 72 -2.194 -11.808 8.517 555 HG2 GLU 72 2HG GLU 72 -1.856 -13.868 7.643 556 HG3 GLU 72 1HG GLU 72 -1.755 -12.929 6.159 557 H LEU 73 H LEU 73 -0.536 -10.958 4.703 558 HA LEU 73 HA LEU 73 2.240 -10.508 4.926 559 HB2 LEU 73 2HB LEU 73 1.115 -11.885 3.133 560 HB3 LEU 73 1HB LEU 73 0.472 -10.425 2.449 561 HG LEU 73 HG LEU 73 2.402 -11.456 1.213 562 HD11 LEU 73 1HD1 LEU 73 3.587 -9.382 0.745 563 HD12 LEU 73 2HD1 LEU 73 2.856 -8.641 2.168 564 HD13 LEU 73 3HD1 LEU 73 1.841 -9.138 0.814 565 HD21 LEU 73 1HD2 LEU 73 3.729 -12.166 3.128 566 HD22 LEU 73 2HD2 LEU 73 4.009 -10.477 3.565 567 HD23 LEU 73 3HD2 LEU 73 4.663 -11.118 2.059 568 H GLN 74 H GLN 74 -0.441 -8.549 3.711 569 HA GLN 74 HA GLN 74 1.058 -6.252 3.092 570 HB2 GLN 74 2HB GLN 74 -1.863 -6.549 3.774 571 HB3 GLN 74 1HB GLN 74 -1.139 -5.032 3.274 572 HG2 GLN 74 2HG GLN 74 -1.228 -7.557 1.642 573 HG3 GLN 74 1HG GLN 74 -2.276 -6.157 1.435 574 HE21 GLN 74 1HE2 GLN 74 0.890 -7.453 0.959 575 HE22 GLN 74 2HE2 GLN 74 1.466 -6.191 -0.072 576 H ASP 75 H ASP 75 -0.543 -7.244 6.069 577 HA ASP 75 HA ASP 75 -0.271 -4.834 7.449 578 HB2 ASP 75 2HB ASP 75 -1.726 -6.555 8.306 579 HB3 ASP 75 1HB ASP 75 -0.362 -7.645 8.534 580 H ILE 76 H ILE 76 1.923 -7.606 7.391 581 HA ILE 76 HA ILE 76 3.795 -6.339 9.157 582 HB ILE 76 HB ILE 76 4.154 -8.762 7.363 583 HG12 ILE 76 2HG1 ILE 76 2.400 -9.094 9.037 584 HG13 ILE 76 1HG1 ILE 76 3.802 -10.088 9.408 585 HG21 ILE 76 1HG2 ILE 76 5.896 -7.822 9.645 586 HG22 ILE 76 2HG2 ILE 76 6.327 -7.815 7.935 587 HG23 ILE 76 3HG2 ILE 76 6.081 -9.349 8.776 588 HD11 ILE 76 1HD1 ILE 76 3.047 -7.501 10.760 589 HD12 ILE 76 2HD1 ILE 76 4.474 -8.477 11.124 590 HD13 ILE 76 3HD1 ILE 76 2.863 -9.128 11.412 591 H ALA 77 H ALA 77 3.421 -6.557 5.698 592 HA ALA 77 HA ALA 77 6.011 -5.521 5.104 593 HB1 ALA 77 1HB ALA 77 5.228 -5.378 2.808 594 HB2 ALA 77 2HB ALA 77 3.569 -5.656 3.342 595 HB3 ALA 77 3HB ALA 77 4.776 -6.928 3.522 596 H ASN 78 H ASN 78 2.907 -4.140 5.751 597 HA ASN 78 HA ASN 78 3.004 -1.706 4.527 598 HB2 ASN 78 2HB ASN 78 1.018 -2.536 5.689 599 HB3 ASN 78 1HB ASN 78 1.800 -2.280 7.242 600 HD21 ASN 78 1HD2 ASN 78 0.203 -0.804 4.569 601 HD22 ASN 78 2HD2 ASN 78 0.005 0.755 5.260 602 HA PRO 79 HA PRO 79 5.169 0.582 8.225 603 HB2 PRO 79 2HB PRO 79 6.715 -0.944 9.900 604 HB3 PRO 79 1HB PRO 79 5.048 -0.482 10.260 605 HG2 PRO 79 2HG PRO 79 6.093 -3.040 9.106 606 HG3 PRO 79 1HG PRO 79 4.880 -2.809 10.376 607 HD2 PRO 79 2HD PRO 79 4.157 -3.370 7.872 608 HD3 PRO 79 1HD PRO 79 3.226 -2.222 8.859 609 H ILE 80 H ILE 80 6.705 -2.340 6.999 610 HA ILE 80 HA ILE 80 9.284 -1.190 6.861 611 HB ILE 80 HB ILE 80 8.177 -3.731 5.619 612 HG12 ILE 80 2HG1 ILE 80 9.912 -3.271 8.060 613 HG13 ILE 80 1HG1 ILE 80 8.174 -3.512 8.105 614 HG21 ILE 80 1HG2 ILE 80 10.542 -4.392 5.324 615 HG22 ILE 80 2HG2 ILE 80 11.058 -2.801 5.880 616 HG23 ILE 80 3HG2 ILE 80 10.164 -2.960 4.369 617 HD11 ILE 80 1HD1 ILE 80 10.182 -5.511 7.090 618 HD12 ILE 80 2HD1 ILE 80 8.433 -5.744 7.278 619 HD13 ILE 80 3HD1 ILE 80 9.449 -5.505 8.694 620 H MET 81 H MET 81 6.668 -1.626 4.550 621 HA MET 81 HA MET 81 7.995 -0.462 2.307 622 HB2 MET 81 2HB MET 81 5.054 -0.493 3.040 623 HB3 MET 81 1HB MET 81 5.664 0.145 1.535 624 HG2 MET 81 2HG MET 81 5.984 -2.736 2.371 625 HG3 MET 81 1HG MET 81 4.603 -2.137 1.468 626 HE1 MET 81 1HE MET 81 8.703 -1.957 1.193 627 HE2 MET 81 2HE MET 81 8.765 -3.108 -0.167 628 HE3 MET 81 3HE MET 81 8.080 -3.606 1.358 629 H SER 82 H SER 82 6.185 0.852 5.004 630 HA SER 82 HA SER 82 6.016 3.491 4.084 631 HB2 SER 82 2HB SER 82 4.572 2.634 5.871 632 HB3 SER 82 1HB SER 82 5.972 2.410 6.911 633 HG SER 82 HG SER 82 5.207 4.935 5.850 634 H LYS 83 H LYS 83 8.381 1.909 6.260 635 HA LYS 83 HA LYS 83 9.855 4.237 6.597 636 HB2 LYS 83 2HB LYS 83 11.692 2.866 7.475 637 HB3 LYS 83 1HB LYS 83 10.129 2.460 8.192 638 HG2 LYS 83 2HG LYS 83 10.020 0.665 6.504 639 HG3 LYS 83 1HG LYS 83 11.727 0.973 6.179 640 HD2 LYS 83 2HD LYS 83 10.592 0.265 8.901 641 HD3 LYS 83 1HD LYS 83 11.370 -0.904 7.840 642 HE2 LYS 83 2HE LYS 83 12.714 1.559 8.982 643 HE3 LYS 83 1HE LYS 83 12.830 -0.049 9.684 644 HZ1 LYS 83 1HZ LYS 83 13.766 -0.756 7.470 645 HZ2 LYS 83 2HZ LYS 83 14.728 0.205 8.447 646 HZ3 LYS 83 3HZ LYS 83 13.964 0.895 7.100 647 H LEU 84 H LEU 84 9.936 1.840 4.167 648 HA LEU 84 HA LEU 84 12.258 2.634 2.766 649 HB2 LEU 84 2HB LEU 84 11.149 0.537 2.267 650 HB3 LEU 84 1HB LEU 84 9.680 1.385 1.844 651 HG LEU 84 HG LEU 84 10.815 2.335 -0.124 652 HD11 LEU 84 1HD1 LEU 84 13.109 2.267 0.719 653 HD12 LEU 84 2HD1 LEU 84 12.943 1.455 -0.840 654 HD13 LEU 84 3HD1 LEU 84 13.069 0.505 0.637 655 HD21 LEU 84 1HD2 LEU 84 10.902 -0.659 0.100 656 HD22 LEU 84 2HD2 LEU 84 10.881 0.268 -1.404 657 HD23 LEU 84 3HD2 LEU 84 9.495 0.320 -0.319 658 H TYR 85 H TYR 85 8.846 3.510 2.412 659 HA TYR 85 HA TYR 85 9.298 5.305 0.320 660 HB2 TYR 85 2HB TYR 85 6.889 5.111 2.136 661 HB3 TYR 85 1HB TYR 85 6.982 6.109 0.688 662 HD1 TYR 85 1HD TYR 85 8.482 4.122 -1.091 663 HD2 TYR 85 2HD TYR 85 5.125 3.644 1.496 664 HE1 TYR 85 1HE TYR 85 7.710 2.243 -2.447 665 HE2 TYR 85 2HE TYR 85 4.355 1.751 0.135 666 HH TYR 85 HH TYR 85 6.260 0.167 -2.038 667 H GLN 86 H GLN 86 8.859 5.956 3.785 668 HA GLN 86 HA GLN 86 9.600 8.643 3.135 669 HB2 GLN 86 2HB GLN 86 9.433 9.146 5.557 670 HB3 GLN 86 1HB GLN 86 7.940 8.701 4.746 671 HG2 GLN 86 2HG GLN 86 8.175 6.410 5.710 672 HG3 GLN 86 1HG GLN 86 9.588 6.977 6.598 673 HE21 GLN 86 1HE2 GLN 86 6.972 5.961 7.525 674 HE22 GLN 86 2HE2 GLN 86 6.368 7.203 8.564 675 H ALA 87 H ALA 87 11.301 8.080 2.273 676 HA ALA 87 HA ALA 87 13.754 8.574 3.635 677 HB1 ALA 87 1HB ALA 87 14.908 6.485 2.933 678 HB2 ALA 87 2HB ALA 87 13.368 5.841 2.371 679 HB3 ALA 87 3HB ALA 87 13.617 6.143 4.088 680 H GLY 88 H GLY 88 12.466 6.925 0.779 681 HA2 GLY 88 2HA GLY 88 12.932 9.152 -0.912 682 HA3 GLY 88 1HA GLY 88 14.164 7.916 -1.141 683 H GLY 89 H GLY 89 10.727 7.734 -0.444 684 HA2 GLY 89 2HA GLY 89 10.360 6.358 -2.999 685 HA3 GLY 89 1HA GLY 89 9.799 5.604 -1.515 686 H ALA 90 H ALA 90 8.861 7.947 -0.225 687 HA ALA 90 HA ALA 90 6.443 8.428 -1.737 688 HB1 ALA 90 1HB ALA 90 5.694 9.550 0.370 689 HB2 ALA 90 2HB ALA 90 7.245 9.128 1.103 690 HB3 ALA 90 3HB ALA 90 6.125 7.861 0.601 691 HA PRO 91 HA PRO 91 8.150 12.304 -3.064 692 HB2 PRO 91 2HB PRO 91 5.417 13.333 -3.331 693 HB3 PRO 91 1HB PRO 91 6.618 13.034 -4.595 694 HG2 PRO 91 2HG PRO 91 4.413 11.505 -4.316 695 HG3 PRO 91 1HG PRO 91 5.961 10.838 -4.868 696 HD2 PRO 91 2HD PRO 91 4.692 10.710 -2.165 697 HD3 PRO 91 1HD PRO 91 5.556 9.454 -3.087 698 H GLY 92 H GLY 92 9.042 13.395 -1.421 699 HA2 GLY 92 2HA GLY 92 7.266 14.834 0.439 700 HA3 GLY 92 1HA GLY 92 8.955 14.436 0.758 701 H GLY 93 H GLY 93 10.210 15.211 -1.460 702 HA2 GLY 93 2HA GLY 93 9.741 17.418 -2.855 703 HA3 GLY 93 1HA GLY 93 10.096 18.087 -1.262 704 H ALA 94 H ALA 94 12.063 17.170 -0.245 705 HA ALA 94 HA ALA 94 14.250 17.249 -2.170 706 HB1 ALA 94 1HB ALA 94 14.292 17.362 0.845 707 HB2 ALA 94 2HB ALA 94 14.340 18.754 -0.235 708 HB3 ALA 94 3HB ALA 94 15.677 17.600 -0.221 709 H ALA 95 H ALA 95 13.207 15.345 0.620 710 HA ALA 95 HA ALA 95 13.924 12.867 -0.584 711 HB1 ALA 95 1HB ALA 95 15.485 12.217 1.240 712 HB2 ALA 95 2HB ALA 95 15.431 13.866 1.860 713 HB3 ALA 95 3HB ALA 95 16.133 13.540 0.274 714 H GLY 96 H GLY 96 13.676 11.232 1.539 715 HA2 GLY 96 2HA GLY 96 10.967 11.636 2.338 716 HA3 GLY 96 1HA GLY 96 12.028 10.324 2.842 717 H GLY 97 H GLY 97 10.158 12.326 4.224 718 HA2 GLY 97 2HA GLY 97 11.736 13.963 5.875 719 HA3 GLY 97 1HA GLY 97 10.062 13.511 6.142 720 H ALA 98 H ALA 98 13.094 13.304 7.306 721 HA ALA 98 HA ALA 98 13.087 10.734 8.499 722 HB1 ALA 98 1HB ALA 98 14.604 13.243 9.240 723 HB2 ALA 98 2HB ALA 98 15.159 11.985 8.134 724 HB3 ALA 98 3HB ALA 98 14.947 11.625 9.848 725 HA PRO 99 HA PRO 99 10.231 11.571 11.817 726 HB2 PRO 99 2HB PRO 99 10.987 9.631 13.564 727 HB3 PRO 99 1HB PRO 99 10.079 9.295 12.083 728 HG2 PRO 99 2HG PRO 99 13.017 9.048 12.592 729 HG3 PRO 99 1HG PRO 99 11.930 7.911 11.771 730 HD2 PRO 99 2HD PRO 99 13.539 9.589 10.404 731 HD3 PRO 99 1HD PRO 99 11.925 9.139 9.812 732 H GLY 100 H GLY 100 13.535 12.024 12.053 733 HA2 GLY 100 2HA GLY 100 14.410 13.878 13.271 734 HA3 GLY 100 1HA GLY 100 13.160 13.614 14.484 735 H GLY 101 H GLY 101 13.353 11.728 15.848 736 HA2 GLY 101 2HA GLY 101 15.160 9.849 16.090 737 HA3 GLY 101 1HA GLY 101 16.108 11.268 16.547 Start of MODEL 2 1 H1 SER 1 1HT SER 1 -21.478 -26.968 -12.115 2 H2 SER 1 2HT SER 1 -22.811 -27.756 -11.463 3 H3 SER 1 3HT SER 1 -21.841 -26.795 -10.477 4 HA SER 1 HA SER 1 -23.440 -25.913 -12.800 5 HB2 SER 1 2HB SER 1 -24.719 -26.582 -10.687 6 HB3 SER 1 1HB SER 1 -23.877 -25.261 -9.880 7 HG SER 1 HG SER 1 -25.456 -24.098 -10.567 8 H LYS 2 H LYS 2 -23.775 -23.302 -12.091 9 HA LYS 2 HA LYS 2 -21.291 -22.326 -12.972 10 HB2 LYS 2 2HB LYS 2 -23.385 -21.385 -13.773 11 HB3 LYS 2 1HB LYS 2 -23.747 -20.778 -12.171 12 HG2 LYS 2 2HG LYS 2 -23.049 -18.931 -13.521 13 HG3 LYS 2 1HG LYS 2 -21.757 -19.262 -12.379 14 HD2 LYS 2 2HD LYS 2 -21.681 -20.426 -15.155 15 HD3 LYS 2 1HD LYS 2 -21.187 -18.760 -14.885 16 HE2 LYS 2 2HE LYS 2 -19.450 -19.487 -13.378 17 HE3 LYS 2 1HE LYS 2 -19.953 -21.160 -13.481 18 HZ1 LYS 2 1HZ LYS 2 -18.816 -19.509 -15.685 19 HZ2 LYS 2 2HZ LYS 2 -19.360 -21.083 -15.865 20 HZ3 LYS 2 3HZ LYS 2 -18.059 -20.764 -14.848 21 H GLU 3 H GLU 3 -22.982 -21.923 -9.857 22 HA GLU 3 HA GLU 3 -21.390 -19.894 -8.828 23 HB2 GLU 3 2HB GLU 3 -23.324 -21.782 -7.731 24 HB3 GLU 3 1HB GLU 3 -22.136 -21.202 -6.578 25 HG2 GLU 3 2HG GLU 3 -23.801 -19.412 -8.321 26 HG3 GLU 3 1HG GLU 3 -24.199 -19.851 -6.655 27 H GLU 4 H GLU 4 -20.914 -23.348 -8.520 28 HA GLU 4 HA GLU 4 -18.753 -23.138 -6.720 29 HB2 GLU 4 2HB GLU 4 -18.270 -25.454 -7.311 30 HB3 GLU 4 1HB GLU 4 -19.985 -25.193 -6.993 31 HG2 GLU 4 2HG GLU 4 -20.303 -25.031 -9.470 32 HG3 GLU 4 1HG GLU 4 -18.631 -25.546 -9.645 33 H ASP 5 H ASP 5 -18.925 -23.074 -10.206 34 HA ASP 5 HA ASP 5 -16.102 -23.220 -10.652 35 HB2 ASP 5 2HB ASP 5 -17.624 -23.908 -12.416 36 HB3 ASP 5 1HB ASP 5 -18.370 -22.315 -12.442 37 H GLU 6 H GLU 6 -18.467 -20.719 -10.256 38 HA GLU 6 HA GLU 6 -16.826 -18.492 -10.852 39 HB2 GLU 6 2HB GLU 6 -19.203 -18.715 -8.998 40 HB3 GLU 6 1HB GLU 6 -18.445 -17.193 -9.430 41 HG2 GLU 6 2HG GLU 6 -19.740 -19.111 -11.342 42 HG3 GLU 6 1HG GLU 6 -20.477 -17.639 -10.712 43 H LYS 7 H LYS 7 -17.655 -20.060 -7.813 44 HA LYS 7 HA LYS 7 -15.997 -18.470 -6.207 45 HB2 LYS 7 2HB LYS 7 -17.131 -21.223 -5.738 46 HB3 LYS 7 1HB LYS 7 -16.250 -20.311 -4.519 47 HG2 LYS 7 2HG LYS 7 -18.822 -19.420 -5.838 48 HG3 LYS 7 1HG LYS 7 -18.689 -20.133 -4.229 49 HD2 LYS 7 2HD LYS 7 -17.203 -18.239 -3.574 50 HD3 LYS 7 1HD LYS 7 -17.479 -17.525 -5.158 51 HE2 LYS 7 2HE LYS 7 -19.661 -18.128 -3.165 52 HE3 LYS 7 1HE LYS 7 -18.874 -16.567 -3.330 53 HZ1 LYS 7 1HZ LYS 7 -20.889 -16.506 -4.512 54 HZ2 LYS 7 2HZ LYS 7 -20.669 -17.918 -5.312 55 HZ3 LYS 7 3HZ LYS 7 -19.725 -16.558 -5.702 56 H GLU 8 H GLU 8 -15.362 -21.578 -7.810 57 HA GLU 8 HA GLU 8 -12.759 -21.882 -6.829 58 HB2 GLU 8 2HB GLU 8 -14.180 -22.920 -9.233 59 HB3 GLU 8 1HB GLU 8 -12.435 -23.119 -9.129 60 HG2 GLU 8 2HG GLU 8 -14.382 -24.039 -7.038 61 HG3 GLU 8 1HG GLU 8 -13.723 -25.068 -8.309 62 H SER 9 H SER 9 -13.925 -20.130 -9.656 63 HA SER 9 HA SER 9 -11.355 -19.472 -10.596 64 HB2 SER 9 2HB SER 9 -13.954 -17.997 -11.009 65 HB3 SER 9 1HB SER 9 -12.482 -17.830 -11.981 66 HG SER 9 HG SER 9 -14.257 -20.022 -11.777 67 H GLN 10 H GLN 10 -13.565 -17.875 -8.351 68 HA GLN 10 HA GLN 10 -12.035 -15.553 -7.883 69 HB2 GLN 10 2HB GLN 10 -13.900 -17.048 -6.034 70 HB3 GLN 10 1HB GLN 10 -13.246 -15.453 -5.709 71 HG2 GLN 10 2HG GLN 10 -14.397 -14.576 -7.659 72 HG3 GLN 10 1HG GLN 10 -15.029 -16.181 -8.014 73 HE21 GLN 10 1HE2 GLN 10 -17.131 -15.442 -7.846 74 HE22 GLN 10 2HE2 GLN 10 -17.854 -15.036 -6.330 75 H ARG 11 H ARG 11 -12.059 -18.725 -6.420 76 HA ARG 11 HA ARG 11 -10.165 -18.330 -4.397 77 HB2 ARG 11 2HB ARG 11 -11.697 -20.262 -4.591 78 HB3 ARG 11 1HB ARG 11 -10.793 -20.816 -5.981 79 HG2 ARG 11 2HG ARG 11 -8.843 -21.209 -4.558 80 HG3 ARG 11 1HG ARG 11 -9.762 -20.643 -3.152 81 HD2 ARG 11 2HD ARG 11 -11.422 -22.377 -3.526 82 HD3 ARG 11 1HD ARG 11 -10.535 -22.945 -4.930 83 HE ARG 11 HE ARG 11 -9.050 -22.980 -2.450 84 HH11 ARG 11 1HH1 ARG 11 -11.173 -24.798 -4.632 85 HH12 ARG 11 2HH1 ARG 11 -10.766 -26.317 -4.003 86 HH21 ARG 11 1HH2 ARG 11 -8.548 -25.025 -1.544 87 HH22 ARG 11 2HH2 ARG 11 -9.270 -26.455 -2.152 88 H ILE 12 H ILE 12 -9.791 -19.434 -7.747 89 HA ILE 12 HA ILE 12 -7.003 -19.723 -7.806 90 HB ILE 12 HB ILE 12 -8.849 -18.776 -10.027 91 HG12 ILE 12 2HG1 ILE 12 -7.749 -21.545 -9.462 92 HG13 ILE 12 1HG1 ILE 12 -9.381 -21.023 -9.068 93 HG21 ILE 12 1HG2 ILE 12 -7.069 -19.488 -11.583 94 HG22 ILE 12 2HG2 ILE 12 -6.027 -19.852 -10.210 95 HG23 ILE 12 3HG2 ILE 12 -6.509 -18.194 -10.524 96 HD11 ILE 12 1HD1 ILE 12 -9.836 -20.694 -11.457 97 HD12 ILE 12 2HD1 ILE 12 -9.347 -22.348 -11.095 98 HD13 ILE 12 3HD1 ILE 12 -8.198 -21.228 -11.828 99 H ALA 13 H ALA 13 -9.040 -16.931 -8.567 100 HA ALA 13 HA ALA 13 -7.026 -15.130 -9.169 101 HB1 ALA 13 1HB ALA 13 -9.400 -14.787 -9.706 102 HB2 ALA 13 2HB ALA 13 -8.707 -13.394 -8.886 103 HB3 ALA 13 3HB ALA 13 -9.738 -14.515 -7.995 104 H SER 14 H SER 14 -8.415 -16.051 -6.099 105 HA SER 14 HA SER 14 -7.177 -14.082 -4.497 106 HB2 SER 14 2HB SER 14 -8.055 -16.880 -3.715 107 HB3 SER 14 1HB SER 14 -7.729 -15.553 -2.603 108 HG SER 14 HG SER 14 -9.696 -15.375 -4.649 109 H LYS 15 H LYS 15 -6.296 -17.464 -5.266 110 HA LYS 15 HA LYS 15 -3.857 -17.636 -3.866 111 HB2 LYS 15 2HB LYS 15 -4.450 -18.913 -6.551 112 HB3 LYS 15 1HB LYS 15 -3.224 -19.421 -5.412 113 HG2 LYS 15 2HG LYS 15 -5.027 -20.070 -3.837 114 HG3 LYS 15 1HG LYS 15 -6.212 -19.640 -5.075 115 HD2 LYS 15 2HD LYS 15 -5.138 -21.264 -6.614 116 HD3 LYS 15 1HD LYS 15 -4.046 -21.723 -5.308 117 HE2 LYS 15 2HE LYS 15 -6.011 -22.429 -3.981 118 HE3 LYS 15 1HE LYS 15 -7.036 -22.056 -5.367 119 HZ1 LYS 15 1HZ LYS 15 -4.878 -24.104 -5.274 120 HZ2 LYS 15 2HZ LYS 15 -5.725 -23.681 -6.653 121 HZ3 LYS 15 3HZ LYS 15 -6.540 -24.404 -5.372 122 H ASN 16 H ASN 16 -4.613 -16.649 -7.106 123 HA ASN 16 HA ASN 16 -2.108 -16.162 -8.181 124 HB2 ASN 16 2HB ASN 16 -4.332 -16.226 -9.364 125 HB3 ASN 16 1HB ASN 16 -4.645 -14.618 -8.732 126 HD21 ASN 16 1HD2 ASN 16 -3.049 -16.489 -11.095 127 HD22 ASN 16 2HD2 ASN 16 -2.334 -15.182 -11.961 128 H GLN 17 H GLN 17 -4.184 -14.159 -6.165 129 HA GLN 17 HA GLN 17 -2.829 -11.700 -6.583 130 HB2 GLN 17 2HB GLN 17 -5.146 -11.709 -5.972 131 HB3 GLN 17 1HB GLN 17 -4.807 -12.606 -4.506 132 HG2 GLN 17 2HG GLN 17 -3.586 -10.678 -3.619 133 HG3 GLN 17 1HG GLN 17 -3.948 -9.775 -5.084 134 HE21 GLN 17 1HE2 GLN 17 -6.052 -9.118 -5.458 135 HE22 GLN 17 2HE2 GLN 17 -7.243 -9.071 -4.213 136 H LEU 18 H LEU 18 -2.793 -13.967 -3.783 137 HA LEU 18 HA LEU 18 -0.888 -12.225 -2.619 138 HB2 LEU 18 2HB LEU 18 -0.658 -13.673 -0.660 139 HB3 LEU 18 1HB LEU 18 -2.326 -13.366 -1.023 140 HG LEU 18 HG LEU 18 -2.192 -15.545 -0.206 141 HD11 LEU 18 1HD1 LEU 18 -3.685 -15.404 -1.997 142 HD12 LEU 18 2HD1 LEU 18 -2.911 -16.992 -1.966 143 HD13 LEU 18 3HD1 LEU 18 -2.404 -15.785 -3.145 144 HD21 LEU 18 1HD2 LEU 18 0.153 -15.946 -0.390 145 HD22 LEU 18 2HD2 LEU 18 0.024 -16.138 -2.141 146 HD23 LEU 18 3HD2 LEU 18 -0.753 -17.297 -1.053 147 H GLU 19 H GLU 19 -0.595 -14.896 -4.627 148 HA GLU 19 HA GLU 19 2.159 -15.375 -4.268 149 HB2 GLU 19 2HB GLU 19 0.687 -16.912 -5.497 150 HB3 GLU 19 1HB GLU 19 0.432 -15.686 -6.726 151 HG2 GLU 19 2HG GLU 19 2.776 -15.765 -7.326 152 HG3 GLU 19 1HG GLU 19 3.070 -16.964 -6.072 153 H SER 20 H SER 20 0.360 -13.231 -6.508 154 HA SER 20 HA SER 20 2.716 -12.305 -7.756 155 HB2 SER 20 2HB SER 20 1.139 -10.537 -8.697 156 HB3 SER 20 1HB SER 20 0.747 -12.220 -9.066 157 HG SER 20 HG SER 20 -0.907 -12.158 -7.719 158 H ILE 21 H ILE 21 0.754 -11.098 -5.087 159 HA ILE 21 HA ILE 21 2.148 -8.683 -4.826 160 HB ILE 21 HB ILE 21 0.492 -10.250 -2.832 161 HG12 ILE 21 2HG1 ILE 21 -0.767 -9.347 -4.722 162 HG13 ILE 21 1HG1 ILE 21 -1.201 -8.505 -3.245 163 HG21 ILE 21 1HG2 ILE 21 1.615 -7.478 -2.498 164 HG22 ILE 21 2HG2 ILE 21 2.086 -8.920 -1.596 165 HG23 ILE 21 3HG2 ILE 21 0.455 -8.259 -1.411 166 HD11 ILE 21 1HD1 ILE 21 0.611 -7.475 -5.429 167 HD12 ILE 21 2HD1 ILE 21 0.265 -6.638 -3.921 168 HD13 ILE 21 3HD1 ILE 21 -1.033 -6.945 -5.072 169 H ALA 22 H ALA 22 2.763 -11.925 -3.540 170 HA ALA 22 HA ALA 22 4.832 -11.242 -1.771 171 HB1 ALA 22 1HB ALA 22 4.554 -13.767 -3.416 172 HB2 ALA 22 2HB ALA 22 3.807 -13.481 -1.844 173 HB3 ALA 22 3HB ALA 22 5.563 -13.572 -1.982 174 H TYR 23 H TYR 23 4.886 -12.019 -5.212 175 HA TYR 23 HA TYR 23 7.682 -11.708 -5.567 176 HB2 TYR 23 2HB TYR 23 5.462 -11.324 -7.592 177 HB3 TYR 23 1HB TYR 23 7.173 -11.412 -7.978 178 HD1 TYR 23 1HD TYR 23 8.041 -13.674 -6.302 179 HD2 TYR 23 2HD TYR 23 4.516 -13.182 -8.615 180 HE1 TYR 23 1HE TYR 23 7.884 -16.104 -6.570 181 HE2 TYR 23 2HE TYR 23 4.349 -15.615 -8.883 182 HH TYR 23 HH TYR 23 5.794 -17.554 -8.815 183 H SER 24 H SER 24 4.967 -9.499 -5.937 184 HA SER 24 HA SER 24 6.391 -7.291 -6.850 185 HB2 SER 24 2HB SER 24 3.837 -7.381 -5.245 186 HB3 SER 24 1HB SER 24 4.441 -5.976 -6.124 187 HG SER 24 HG SER 24 3.554 -8.460 -7.158 188 H LEU 25 H LEU 25 5.703 -8.400 -3.579 189 HA LEU 25 HA LEU 25 6.561 -6.191 -2.145 190 HB2 LEU 25 2HB LEU 25 5.394 -8.152 -1.185 191 HB3 LEU 25 1HB LEU 25 6.848 -9.100 -1.449 192 HG LEU 25 HG LEU 25 8.064 -7.765 0.177 193 HD11 LEU 25 1HD1 LEU 25 6.942 -5.624 -0.135 194 HD12 LEU 25 2HD1 LEU 25 6.885 -6.109 1.559 195 HD13 LEU 25 3HD1 LEU 25 5.456 -6.290 0.540 196 HD21 LEU 25 1HD2 LEU 25 6.862 -8.481 2.181 197 HD22 LEU 25 2HD2 LEU 25 6.838 -9.735 0.940 198 HD23 LEU 25 3HD2 LEU 25 5.413 -8.737 1.219 199 H LYS 26 H LYS 26 8.376 -9.095 -3.066 200 HA LYS 26 HA LYS 26 10.879 -8.273 -2.093 201 HB2 LYS 26 2HB LYS 26 10.272 -10.039 -4.460 202 HB3 LYS 26 1HB LYS 26 11.837 -9.877 -3.694 203 HG2 LYS 26 2HG LYS 26 10.940 -10.903 -1.643 204 HG3 LYS 26 1HG LYS 26 9.361 -11.027 -2.416 205 HD2 LYS 26 2HD LYS 26 10.287 -12.430 -4.170 206 HD3 LYS 26 1HD LYS 26 11.901 -12.248 -3.499 207 HE2 LYS 26 2HE LYS 26 11.171 -13.409 -1.475 208 HE3 LYS 26 1HE LYS 26 9.559 -13.586 -2.173 209 HZ1 LYS 26 1HZ LYS 26 10.499 -14.900 -3.950 210 HZ2 LYS 26 2HZ LYS 26 10.912 -15.577 -2.459 211 HZ3 LYS 26 3HZ LYS 26 12.047 -14.692 -3.333 212 H ASN 27 H ASN 27 9.408 -8.005 -5.286 213 HA ASN 27 HA ASN 27 11.601 -6.817 -6.548 214 HB2 ASN 27 2HB ASN 27 8.701 -6.940 -7.299 215 HB3 ASN 27 1HB ASN 27 9.872 -6.099 -8.305 216 HD21 ASN 27 1HD2 ASN 27 8.298 -8.457 -8.912 217 HD22 ASN 27 2HD2 ASN 27 9.424 -9.694 -9.310 218 H THR 28 H THR 28 9.089 -5.366 -4.654 219 HA THR 28 HA THR 28 9.562 -2.706 -5.560 220 HB THR 28 HB THR 28 8.392 -3.612 -2.916 221 HG1 THR 28 1HG THR 28 7.177 -4.416 -4.629 222 HG21 THR 28 1HG2 THR 28 7.313 -1.394 -2.889 223 HG22 THR 28 2HG2 THR 28 8.127 -0.984 -4.398 224 HG23 THR 28 3HG2 THR 28 9.071 -1.242 -2.928 225 H ILE 29 H ILE 29 10.717 -4.616 -2.796 226 HA ILE 29 HA ILE 29 12.368 -2.487 -1.899 227 HB ILE 29 HB ILE 29 12.332 -5.423 -1.054 228 HG12 ILE 29 2HG1 ILE 29 11.639 -4.435 1.165 229 HG13 ILE 29 1HG1 ILE 29 11.550 -2.876 0.380 230 HG21 ILE 29 1HG2 ILE 29 13.853 -4.791 0.768 231 HG22 ILE 29 2HG2 ILE 29 14.113 -3.234 -0.026 232 HG23 ILE 29 3HG2 ILE 29 14.605 -4.724 -0.829 233 HD11 ILE 29 1HD1 ILE 29 9.845 -5.261 -0.252 234 HD12 ILE 29 2HD1 ILE 29 9.756 -3.683 -1.035 235 HD13 ILE 29 3HD1 ILE 29 9.364 -3.838 0.677 236 H SER 30 H SER 30 12.821 -5.153 -4.080 237 HA SER 30 HA SER 30 15.590 -5.012 -4.409 238 HB2 SER 30 2HB SER 30 13.479 -5.669 -6.475 239 HB3 SER 30 1HB SER 30 15.194 -6.037 -6.621 240 HG SER 30 HG SER 30 13.982 -6.924 -4.295 241 H GLU 31 H GLU 31 13.066 -2.873 -5.558 242 HA GLU 31 HA GLU 31 14.887 -1.496 -7.334 243 HB2 GLU 31 2HB GLU 31 12.026 -0.888 -6.597 244 HB3 GLU 31 1HB GLU 31 12.967 0.045 -7.747 245 HG2 GLU 31 2HG GLU 31 12.102 -2.821 -7.980 246 HG3 GLU 31 1HG GLU 31 11.569 -1.457 -8.959 247 H ALA 32 H ALA 32 14.286 -1.473 -4.111 248 HA ALA 32 HA ALA 32 15.001 1.332 -3.757 249 HB1 ALA 32 1HB ALA 32 14.376 -0.818 -1.727 250 HB2 ALA 32 2HB ALA 32 13.262 0.432 -2.284 251 HB3 ALA 32 3HB ALA 32 14.690 0.873 -1.347 252 H GLY 33 H GLY 33 16.076 -1.844 -2.619 253 HA2 GLY 33 2HA GLY 33 18.136 -2.755 -2.287 254 HA3 GLY 33 1HA GLY 33 18.742 -1.539 -3.396 255 H ASP 34 H ASP 34 19.521 0.362 -2.610 256 HA ASP 34 HA ASP 34 20.928 0.181 -0.097 257 HB2 ASP 34 2HB ASP 34 22.038 2.219 -0.756 258 HB3 ASP 34 1HB ASP 34 21.912 1.184 -2.176 259 H LYS 35 H LYS 35 18.107 1.556 -1.235 260 HA LYS 35 HA LYS 35 17.938 3.791 0.588 261 HB2 LYS 35 2HB LYS 35 15.677 2.716 -1.074 262 HB3 LYS 35 1HB LYS 35 15.949 4.368 -0.536 263 HG2 LYS 35 2HG LYS 35 17.879 4.554 -1.987 264 HG3 LYS 35 1HG LYS 35 17.669 2.887 -2.505 265 HD2 LYS 35 2HD LYS 35 15.342 3.627 -3.253 266 HD3 LYS 35 1HD LYS 35 15.959 5.275 -3.094 267 HE2 LYS 35 2HE LYS 35 16.933 3.069 -4.888 268 HE3 LYS 35 1HE LYS 35 16.298 4.643 -5.355 269 HZ1 LYS 35 1HZ LYS 35 18.931 4.121 -4.036 270 HZ2 LYS 35 2HZ LYS 35 18.313 5.656 -4.326 271 HZ3 LYS 35 3HZ LYS 35 18.672 4.649 -5.613 272 H LEU 36 H LEU 36 17.200 0.491 0.847 273 HA LEU 36 HA LEU 36 15.524 1.088 3.140 274 HB2 LEU 36 2HB LEU 36 14.199 0.339 1.123 275 HB3 LEU 36 1HB LEU 36 15.038 -1.190 1.222 276 HG LEU 36 HG LEU 36 13.539 -0.273 3.634 277 HD11 LEU 36 1HD1 LEU 36 11.982 0.217 1.897 278 HD12 LEU 36 2HD1 LEU 36 11.485 -1.316 2.632 279 HD13 LEU 36 3HD1 LEU 36 12.342 -1.294 1.083 280 HD21 LEU 36 1HD2 LEU 36 13.095 -2.664 3.819 281 HD22 LEU 36 2HD2 LEU 36 14.822 -2.354 3.649 282 HD23 LEU 36 3HD2 LEU 36 13.894 -2.944 2.271 283 H GLU 37 H GLU 37 15.812 -0.322 4.878 284 HA GLU 37 HA GLU 37 18.545 -1.065 4.986 285 HB2 GLU 37 2HB GLU 37 16.451 -1.178 7.132 286 HB3 GLU 37 1HB GLU 37 18.186 -1.345 7.377 287 HG2 GLU 37 2HG GLU 37 18.512 0.915 6.506 288 HG3 GLU 37 1HG GLU 37 16.773 1.076 6.301 289 H GLN 38 H GLN 38 19.343 -2.993 5.905 290 HA GLN 38 HA GLN 38 18.649 -5.142 4.265 291 HB2 GLN 38 2HB GLN 38 20.919 -4.645 5.085 292 HB3 GLN 38 1HB GLN 38 20.430 -5.163 6.689 293 HG2 GLN 38 2HG GLN 38 21.608 -6.954 5.718 294 HG3 GLN 38 1HG GLN 38 19.904 -7.401 5.699 295 HE21 GLN 38 1HE2 GLN 38 22.081 -8.383 4.092 296 HE22 GLN 38 2HE2 GLN 38 21.650 -8.108 2.440 297 H ALA 39 H ALA 39 18.232 -4.777 7.781 298 HA ALA 39 HA ALA 39 17.240 -7.363 8.222 299 HB1 ALA 39 1HB ALA 39 18.073 -5.881 10.024 300 HB2 ALA 39 2HB ALA 39 16.504 -6.599 10.388 301 HB3 ALA 39 3HB ALA 39 16.601 -4.921 9.868 302 H ASP 40 H ASP 40 15.435 -4.329 7.717 303 HA ASP 40 HA ASP 40 12.950 -5.656 7.752 304 HB2 ASP 40 2HB ASP 40 12.229 -3.390 6.617 305 HB3 ASP 40 1HB ASP 40 12.585 -3.463 8.344 306 H LYS 41 H LYS 41 15.148 -4.842 5.182 307 HA LYS 41 HA LYS 41 13.628 -5.578 2.950 308 HB2 LYS 41 2HB LYS 41 15.865 -4.671 2.751 309 HB3 LYS 41 1HB LYS 41 16.542 -6.054 3.594 310 HG2 LYS 41 2HG LYS 41 15.749 -7.477 1.670 311 HG3 LYS 41 1HG LYS 41 15.377 -5.992 0.807 312 HD2 LYS 41 2HD LYS 41 18.076 -6.802 1.879 313 HD3 LYS 41 1HD LYS 41 17.575 -6.830 0.194 314 HE2 LYS 41 2HE LYS 41 17.377 -4.413 0.177 315 HE3 LYS 41 1HE LYS 41 17.726 -4.345 1.905 316 HZ1 LYS 41 1HZ LYS 41 19.890 -5.303 1.447 317 HZ2 LYS 41 2HZ LYS 41 19.699 -3.824 0.684 318 HZ3 LYS 41 3HZ LYS 41 19.605 -5.251 -0.217 319 H ASP 42 H ASP 42 15.636 -7.512 5.102 320 HA ASP 42 HA ASP 42 15.066 -10.037 3.952 321 HB2 ASP 42 2HB ASP 42 17.035 -9.673 5.349 322 HB3 ASP 42 1HB ASP 42 16.009 -9.319 6.732 323 H THR 43 H THR 43 13.556 -8.205 6.490 324 HA THR 43 HA THR 43 11.855 -10.171 7.496 325 HB THR 43 HB THR 43 11.314 -7.200 7.233 326 HG1 THR 43 1HG THR 43 13.269 -8.106 8.416 327 HG21 THR 43 1HG2 THR 43 9.802 -7.520 9.156 328 HG22 THR 43 2HG2 THR 43 10.118 -9.256 9.114 329 HG23 THR 43 3HG2 THR 43 9.279 -8.482 7.773 330 H VAL 44 H VAL 44 11.176 -7.769 4.941 331 HA VAL 44 HA VAL 44 8.632 -8.862 4.412 332 HB VAL 44 HB VAL 44 8.792 -7.591 2.224 333 HG11 VAL 44 1HG1 VAL 44 8.340 -5.440 3.425 334 HG12 VAL 44 2HG1 VAL 44 8.996 -6.168 4.893 335 HG13 VAL 44 3HG1 VAL 44 7.525 -6.815 4.165 336 HG21 VAL 44 1HG2 VAL 44 10.389 -5.731 2.192 337 HG22 VAL 44 2HG2 VAL 44 11.189 -7.302 2.100 338 HG23 VAL 44 3HG2 VAL 44 11.183 -6.400 3.616 339 H THR 45 H THR 45 11.629 -9.192 2.605 340 HA THR 45 HA THR 45 10.597 -10.790 0.596 341 HB THR 45 HB THR 45 12.842 -11.601 0.277 342 HG1 THR 45 1HG THR 45 13.763 -9.749 2.234 343 HG21 THR 45 1HG2 THR 45 13.858 -9.384 -0.286 344 HG22 THR 45 2HG2 THR 45 12.580 -8.610 0.647 345 HG23 THR 45 3HG2 THR 45 12.179 -9.528 -0.802 346 H LYS 46 H LYS 46 11.932 -11.689 3.684 347 HA LYS 46 HA LYS 46 11.729 -14.505 3.396 348 HB2 LYS 46 2HB LYS 46 13.102 -13.446 5.095 349 HB3 LYS 46 1HB LYS 46 11.683 -12.804 5.876 350 HG2 LYS 46 2HG LYS 46 10.990 -14.983 6.593 351 HG3 LYS 46 1HG LYS 46 12.271 -15.751 5.649 352 HD2 LYS 46 2HD LYS 46 12.814 -13.743 7.838 353 HD3 LYS 46 1HD LYS 46 12.762 -15.484 8.118 354 HE2 LYS 46 2HE LYS 46 14.632 -15.875 6.749 355 HE3 LYS 46 1HE LYS 46 14.554 -14.294 5.996 356 HZ1 LYS 46 1HZ LYS 46 15.381 -13.273 7.874 357 HZ2 LYS 46 2HZ LYS 46 16.332 -14.659 7.729 358 HZ3 LYS 46 3HZ LYS 46 15.100 -14.591 8.882 359 H LYS 47 H LYS 47 9.439 -12.104 4.638 360 HA LYS 47 HA LYS 47 7.413 -13.974 5.284 361 HB2 LYS 47 2HB LYS 47 7.300 -11.050 4.566 362 HB3 LYS 47 1HB LYS 47 5.838 -11.955 4.911 363 HG2 LYS 47 2HG LYS 47 8.159 -11.515 6.796 364 HG3 LYS 47 1HG LYS 47 6.609 -10.678 6.845 365 HD2 LYS 47 2HD LYS 47 7.030 -13.656 7.268 366 HD3 LYS 47 1HD LYS 47 6.710 -12.468 8.520 367 HE2 LYS 47 2HE LYS 47 4.518 -12.000 7.572 368 HE3 LYS 47 1HE LYS 47 4.837 -13.096 6.234 369 HZ1 LYS 47 1HZ LYS 47 4.977 -14.917 7.812 370 HZ2 LYS 47 2HZ LYS 47 3.467 -14.132 7.892 371 HZ3 LYS 47 3HZ LYS 47 4.614 -13.865 9.090 372 H ALA 48 H ALA 48 8.350 -12.414 2.343 373 HA ALA 48 HA ALA 48 6.171 -13.289 0.751 374 HB1 ALA 48 1HB ALA 48 9.017 -12.580 -0.049 375 HB2 ALA 48 2HB ALA 48 7.652 -11.473 0.015 376 HB3 ALA 48 3HB ALA 48 7.665 -12.781 -1.166 377 H GLU 49 H GLU 49 9.287 -14.684 1.595 378 HA GLU 49 HA GLU 49 9.128 -16.971 -0.014 379 HB2 GLU 49 2HB GLU 49 10.544 -16.561 2.623 380 HB3 GLU 49 1HB GLU 49 10.745 -17.982 1.609 381 HG2 GLU 49 2HG GLU 49 11.370 -15.160 0.768 382 HG3 GLU 49 1HG GLU 49 12.554 -16.329 1.348 383 H GLU 50 H GLU 50 7.982 -16.349 3.279 384 HA GLU 50 HA GLU 50 7.047 -18.973 3.768 385 HB2 GLU 50 2HB GLU 50 5.917 -16.394 4.848 386 HB3 GLU 50 1HB GLU 50 5.586 -18.001 5.460 387 HG2 GLU 50 2HG GLU 50 8.044 -18.150 5.987 388 HG3 GLU 50 1HG GLU 50 8.118 -16.418 5.639 389 H THR 51 H THR 51 5.696 -16.163 2.285 390 HA THR 51 HA THR 51 3.108 -17.062 2.111 391 HB THR 51 HB THR 51 4.584 -15.062 0.455 392 HG1 THR 51 1HG THR 51 4.436 -14.439 2.616 393 HG21 THR 51 1HG2 THR 51 1.616 -15.423 0.760 394 HG22 THR 51 2HG2 THR 51 2.526 -15.796 -0.709 395 HG23 THR 51 3HG2 THR 51 2.389 -14.124 -0.148 396 H ILE 52 H ILE 52 5.760 -17.269 -0.204 397 HA ILE 52 HA ILE 52 4.302 -18.576 -2.267 398 HB ILE 52 HB ILE 52 7.288 -18.540 -1.723 399 HG12 ILE 52 2HG1 ILE 52 5.636 -16.860 -3.627 400 HG13 ILE 52 1HG1 ILE 52 6.253 -16.312 -2.074 401 HG21 ILE 52 1HG2 ILE 52 7.532 -19.142 -4.117 402 HG22 ILE 52 2HG2 ILE 52 5.781 -19.332 -4.217 403 HG23 ILE 52 3HG2 ILE 52 6.721 -20.404 -3.183 404 HD11 ILE 52 1HD1 ILE 52 7.914 -17.164 -4.436 405 HD12 ILE 52 2HD1 ILE 52 8.543 -16.608 -2.884 406 HD13 ILE 52 3HD1 ILE 52 7.620 -15.504 -3.913 407 H SER 53 H SER 53 6.400 -19.709 0.336 408 HA SER 53 HA SER 53 6.304 -22.444 -0.239 409 HB2 SER 53 2HB SER 53 7.962 -21.376 1.279 410 HB3 SER 53 1HB SER 53 6.675 -21.052 2.436 411 HG SER 53 HG SER 53 7.813 -23.488 1.648 412 H TRP 54 H TRP 54 4.196 -20.336 1.659 413 HA TRP 54 HA TRP 54 2.592 -22.272 2.852 414 HB2 TRP 54 2HB TRP 54 2.645 -19.795 3.383 415 HB3 TRP 54 1HB TRP 54 1.682 -19.521 1.955 416 HD1 TRP 54 HD TRP 54 1.445 -20.890 5.505 417 HE1 TRP 54 1HE TRP 54 -1.036 -21.203 6.138 418 HE3 TRP 54 3HE TRP 54 -0.699 -20.029 0.940 419 HZ2 TRP 54 2HZ TRP 54 -3.537 -21.100 4.890 420 HZ3 TRP 54 3HZ TRP 54 -3.141 -20.161 0.759 421 HH2 TRP 54 HH TRP 54 -4.530 -20.684 2.685 422 H LEU 55 H LEU 55 2.355 -20.689 -0.292 423 HA LEU 55 HA LEU 55 -0.098 -21.783 -1.128 424 HB2 LEU 55 2HB LEU 55 2.336 -20.950 -2.663 425 HB3 LEU 55 1HB LEU 55 0.846 -21.446 -3.444 426 HG LEU 55 HG LEU 55 1.055 -19.099 -1.551 427 HD11 LEU 55 1HD1 LEU 55 1.048 -19.144 -4.570 428 HD12 LEU 55 2HD1 LEU 55 2.438 -18.758 -3.556 429 HD13 LEU 55 3HD1 LEU 55 1.020 -17.711 -3.540 430 HD21 LEU 55 1HD2 LEU 55 -1.096 -18.502 -2.630 431 HD22 LEU 55 2HD2 LEU 55 -1.162 -19.994 -1.704 432 HD23 LEU 55 3HD2 LEU 55 -1.071 -20.056 -3.466 433 H ASP 56 H ASP 56 3.185 -22.984 -1.340 434 HA ASP 56 HA ASP 56 2.633 -25.281 -2.913 435 HB2 ASP 56 2HB ASP 56 4.883 -24.321 -2.741 436 HB3 ASP 56 1HB ASP 56 4.912 -24.658 -1.020 437 H SER 57 H SER 57 2.483 -24.547 0.477 438 HA SER 57 HA SER 57 2.367 -27.298 1.212 439 HB2 SER 57 2HB SER 57 2.002 -24.824 2.911 440 HB3 SER 57 1HB SER 57 2.234 -26.463 3.512 441 HG SER 57 HG SER 57 4.147 -25.487 1.731 442 H ASN 58 H ASN 58 0.150 -24.562 0.810 443 HA ASN 58 HA ASN 58 -2.088 -26.248 1.702 444 HB2 ASN 58 2HB ASN 58 -1.492 -23.410 2.547 445 HB3 ASN 58 1HB ASN 58 -3.005 -24.241 2.872 446 HD21 ASN 58 1HD2 ASN 58 -0.813 -23.152 4.608 447 HD22 ASN 58 2HD2 ASN 58 -0.405 -24.456 5.653 448 H THR 59 H THR 59 -1.382 -25.533 -1.105 449 HA THR 59 HA THR 59 -3.039 -23.464 -1.994 450 HB THR 59 HB THR 59 -1.345 -24.389 -3.524 451 HG1 THR 59 1HG THR 59 -2.520 -23.930 -5.225 452 HG21 THR 59 1HG2 THR 59 -3.124 -26.833 -3.664 453 HG22 THR 59 2HG2 THR 59 -1.528 -26.755 -2.917 454 HG23 THR 59 3HG2 THR 59 -1.694 -26.550 -4.661 455 H THR 60 H THR 60 -3.856 -26.597 -0.910 456 HA THR 60 HA THR 60 -6.400 -26.795 -2.144 457 HB THR 60 HB THR 60 -6.598 -28.659 -0.405 458 HG1 THR 60 1HG THR 60 -5.068 -27.826 1.037 459 HG21 THR 60 1HG2 THR 60 -5.024 -30.084 -1.649 460 HG22 THR 60 2HG2 THR 60 -4.243 -28.649 -2.308 461 HG23 THR 60 3HG2 THR 60 -5.908 -29.027 -2.750 462 H ALA 61 H ALA 61 -5.523 -24.519 -0.072 463 HA ALA 61 HA ALA 61 -7.577 -24.724 1.940 464 HB1 ALA 61 1HB ALA 61 -5.749 -22.432 1.216 465 HB2 ALA 61 2HB ALA 61 -5.403 -23.676 2.412 466 HB3 ALA 61 3HB ALA 61 -6.737 -22.554 2.673 467 H SER 62 H SER 62 -9.047 -22.749 2.211 468 HA SER 62 HA SER 62 -10.458 -22.380 -0.295 469 HB2 SER 62 2HB SER 62 -11.640 -22.964 1.857 470 HB3 SER 62 1HB SER 62 -11.191 -21.372 2.472 471 HG SER 62 HG SER 62 -12.793 -20.551 1.405 472 H LYS 63 H LYS 63 -11.381 -20.052 -0.637 473 HA LYS 63 HA LYS 63 -9.146 -18.441 -1.248 474 HB2 LYS 63 2HB LYS 63 -10.739 -16.750 -2.065 475 HB3 LYS 63 1HB LYS 63 -11.090 -18.360 -2.660 476 HG2 LYS 63 2HG LYS 63 -12.921 -18.570 -1.085 477 HG3 LYS 63 1HG LYS 63 -12.553 -16.976 -0.425 478 HD2 LYS 63 2HD LYS 63 -12.973 -15.974 -2.632 479 HD3 LYS 63 1HD LYS 63 -13.373 -17.568 -3.270 480 HE2 LYS 63 2HE LYS 63 -15.393 -16.294 -2.733 481 HE3 LYS 63 1HE LYS 63 -15.253 -17.722 -1.713 482 HZ1 LYS 63 1HZ LYS 63 -14.442 -14.997 -0.874 483 HZ2 LYS 63 2HZ LYS 63 -14.547 -16.384 0.110 484 HZ3 LYS 63 3HZ LYS 63 -15.930 -15.699 -0.542 485 H GLU 64 H GLU 64 -11.322 -18.378 1.436 486 HA GLU 64 HA GLU 64 -10.757 -15.894 2.552 487 HB2 GLU 64 2HB GLU 64 -11.412 -18.530 3.875 488 HB3 GLU 64 1HB GLU 64 -11.367 -17.001 4.722 489 HG2 GLU 64 2HG GLU 64 -13.651 -17.678 4.214 490 HG3 GLU 64 1HG GLU 64 -13.230 -16.186 3.385 491 H GLU 65 H GLU 65 -9.081 -18.952 2.771 492 HA GLU 65 HA GLU 65 -7.276 -18.174 4.828 493 HB2 GLU 65 2HB GLU 65 -7.196 -20.472 2.876 494 HB3 GLU 65 1HB GLU 65 -6.172 -20.316 4.304 495 HG2 GLU 65 2HG GLU 65 -8.086 -20.458 5.762 496 HG3 GLU 65 1HG GLU 65 -9.183 -20.434 4.386 497 H PHE 66 H PHE 66 -7.249 -18.150 1.347 498 HA PHE 66 HA PHE 66 -4.486 -17.445 1.106 499 HB2 PHE 66 2HB PHE 66 -6.771 -17.211 -0.870 500 HB3 PHE 66 1HB PHE 66 -5.104 -16.809 -1.261 501 HD1 PHE 66 1HD PHE 66 -3.360 -18.686 -0.936 502 HD2 PHE 66 2HD PHE 66 -7.539 -19.375 -1.157 503 HE1 PHE 66 1HE PHE 66 -2.953 -21.039 -1.528 504 HE2 PHE 66 2HE PHE 66 -7.134 -21.700 -1.732 505 HZ PHE 66 HZ PHE 66 -4.852 -22.541 -1.919 506 H ASP 67 H ASP 67 -7.518 -15.691 1.215 507 HA ASP 67 HA ASP 67 -6.483 -13.106 0.825 508 HB2 ASP 67 2HB ASP 67 -8.860 -13.513 0.634 509 HB3 ASP 67 1HB ASP 67 -8.946 -14.062 2.300 510 H ASP 68 H ASP 68 -6.968 -15.037 3.703 511 HA ASP 68 HA ASP 68 -6.150 -13.249 5.686 512 HB2 ASP 68 2HB ASP 68 -7.112 -15.372 6.290 513 HB3 ASP 68 1HB ASP 68 -5.811 -16.239 5.485 514 H LYS 69 H LYS 69 -4.217 -15.417 3.668 515 HA LYS 69 HA LYS 69 -1.721 -14.776 4.725 516 HB2 LYS 69 2HB LYS 69 -2.670 -15.996 2.202 517 HB3 LYS 69 1HB LYS 69 -0.989 -15.512 2.330 518 HG2 LYS 69 2HG LYS 69 -2.393 -17.329 4.254 519 HG3 LYS 69 1HG LYS 69 -1.416 -17.871 2.894 520 HD2 LYS 69 2HD LYS 69 -0.428 -16.220 5.247 521 HD3 LYS 69 1HD LYS 69 -0.123 -17.928 4.970 522 HE2 LYS 69 2HE LYS 69 1.839 -17.055 4.125 523 HE3 LYS 69 1HE LYS 69 0.799 -17.041 2.696 524 HZ1 LYS 69 1HZ LYS 69 1.235 -14.668 4.441 525 HZ2 LYS 69 2HZ LYS 69 0.425 -14.632 2.996 526 HZ3 LYS 69 3HZ LYS 69 2.090 -14.931 3.046 527 H LEU 70 H LEU 70 -3.669 -13.169 2.337 528 HA LEU 70 HA LEU 70 -1.552 -11.499 1.423 529 HB2 LEU 70 2HB LEU 70 -3.680 -11.992 0.149 530 HB3 LEU 70 1HB LEU 70 -4.550 -11.025 1.309 531 HG LEU 70 HG LEU 70 -4.143 -9.916 -0.900 532 HD11 LEU 70 1HD1 LEU 70 -3.462 -7.739 -0.058 533 HD12 LEU 70 2HD1 LEU 70 -2.893 -8.491 1.432 534 HD13 LEU 70 3HD1 LEU 70 -4.609 -8.521 1.031 535 HD21 LEU 70 1HD2 LEU 70 -1.944 -10.800 -1.376 536 HD22 LEU 70 2HD2 LEU 70 -1.270 -9.906 -0.008 537 HD23 LEU 70 3HD2 LEU 70 -1.928 -9.039 -1.394 538 H LYS 71 H LYS 71 -4.118 -11.286 3.802 539 HA LYS 71 HA LYS 71 -3.673 -8.679 4.648 540 HB2 LYS 71 2HB LYS 71 -5.079 -11.011 5.774 541 HB3 LYS 71 1HB LYS 71 -4.635 -9.749 6.912 542 HG2 LYS 71 2HG LYS 71 -6.924 -9.493 6.066 543 HG3 LYS 71 1HG LYS 71 -5.904 -8.120 5.661 544 HD2 LYS 71 2HD LYS 71 -5.640 -8.996 3.385 545 HD3 LYS 71 1HD LYS 71 -6.657 -10.380 3.804 546 HE2 LYS 71 2HE LYS 71 -8.526 -8.917 4.235 547 HE3 LYS 71 1HE LYS 71 -7.520 -7.502 3.948 548 HZ1 LYS 71 1HZ LYS 71 -7.261 -8.208 1.653 549 HZ2 LYS 71 2HZ LYS 71 -8.881 -8.018 2.046 550 HZ3 LYS 71 3HZ LYS 71 -8.227 -9.572 1.936 551 H GLU 72 H GLU 72 -2.367 -11.684 6.118 552 HA GLU 72 HA GLU 72 -0.915 -10.082 7.939 553 HB2 GLU 72 2HB GLU 72 0.180 -12.120 8.767 554 HB3 GLU 72 1HB GLU 72 -1.552 -12.295 8.669 555 HG2 GLU 72 2HG GLU 72 -0.744 -14.352 7.956 556 HG3 GLU 72 1HG GLU 72 -1.086 -13.512 6.449 557 H LEU 73 H LEU 73 -0.112 -11.270 4.804 558 HA LEU 73 HA LEU 73 2.645 -10.789 4.864 559 HB2 LEU 73 2HB LEU 73 1.392 -12.040 3.094 560 HB3 LEU 73 1HB LEU 73 0.675 -10.543 2.566 561 HG LEU 73 HG LEU 73 2.497 -11.482 1.102 562 HD11 LEU 73 1HD1 LEU 73 1.842 -9.146 0.942 563 HD12 LEU 73 2HD1 LEU 73 3.557 -9.370 0.618 564 HD13 LEU 73 3HD1 LEU 73 3.027 -8.726 2.179 565 HD21 LEU 73 1HD2 LEU 73 4.815 -11.153 1.783 566 HD22 LEU 73 2HD2 LEU 73 3.973 -12.270 2.864 567 HD23 LEU 73 3HD2 LEU 73 4.267 -10.608 3.369 568 H GLN 74 H GLN 74 -0.068 -8.731 3.855 569 HA GLN 74 HA GLN 74 1.500 -6.410 3.462 570 HB2 GLN 74 2HB GLN 74 -1.455 -6.799 3.856 571 HB3 GLN 74 1HB GLN 74 -0.736 -5.220 3.572 572 HG2 GLN 74 2HG GLN 74 -0.445 -7.564 1.713 573 HG3 GLN 74 1HG GLN 74 -1.677 -6.315 1.547 574 HE21 GLN 74 1HE2 GLN 74 1.710 -7.052 1.261 575 HE22 GLN 74 2HE2 GLN 74 2.146 -5.623 0.395 576 H ASP 75 H ASP 75 -0.073 -7.767 6.230 577 HA ASP 75 HA ASP 75 -0.132 -5.543 7.932 578 HB2 ASP 75 2HB ASP 75 -1.255 -7.718 8.385 579 HB3 ASP 75 1HB ASP 75 0.321 -8.426 8.707 580 H ILE 76 H ILE 76 2.360 -7.976 7.421 581 HA ILE 76 HA ILE 76 4.158 -6.729 9.285 582 HB ILE 76 HB ILE 76 4.724 -8.922 7.263 583 HG12 ILE 76 2HG1 ILE 76 2.971 -9.640 8.800 584 HG13 ILE 76 1HG1 ILE 76 4.469 -10.487 9.162 585 HG21 ILE 76 1HG2 ILE 76 6.767 -7.860 8.015 586 HG22 ILE 76 2HG2 ILE 76 6.642 -9.483 8.703 587 HG23 ILE 76 3HG2 ILE 76 6.288 -8.075 9.700 588 HD11 ILE 76 1HD1 ILE 76 3.316 -8.161 10.691 589 HD12 ILE 76 2HD1 ILE 76 4.848 -8.957 11.043 590 HD13 ILE 76 3HD1 ILE 76 3.334 -9.852 11.200 591 H ALA 77 H ALA 77 3.640 -6.684 5.837 592 HA ALA 77 HA ALA 77 6.131 -5.436 5.194 593 HB1 ALA 77 1HB ALA 77 4.910 -6.802 3.570 594 HB2 ALA 77 2HB ALA 77 5.226 -5.178 2.956 595 HB3 ALA 77 3HB ALA 77 3.619 -5.599 3.543 596 H ASN 78 H ASN 78 3.114 -4.292 6.283 597 HA ASN 78 HA ASN 78 2.884 -1.778 5.205 598 HB2 ASN 78 2HB ASN 78 1.138 -2.877 6.576 599 HB3 ASN 78 1HB ASN 78 2.094 -2.614 8.019 600 HD21 ASN 78 1HD2 ASN 78 -0.605 -1.796 7.312 601 HD22 ASN 78 2HD2 ASN 78 -0.687 -0.092 7.482 602 HA PRO 79 HA PRO 79 5.581 0.281 8.721 603 HB2 PRO 79 2HB PRO 79 7.433 -1.429 9.879 604 HB3 PRO 79 1HB PRO 79 5.939 -0.893 10.647 605 HG2 PRO 79 2HG PRO 79 6.533 -3.458 9.242 606 HG3 PRO 79 1HG PRO 79 5.536 -3.163 10.674 607 HD2 PRO 79 2HD PRO 79 4.453 -3.612 8.257 608 HD3 PRO 79 1HD PRO 79 3.715 -2.507 9.434 609 H ILE 80 H ILE 80 6.821 -2.386 6.798 610 HA ILE 80 HA ILE 80 9.337 -1.112 6.353 611 HB ILE 80 HB ILE 80 8.062 -3.537 5.026 612 HG12 ILE 80 2HG1 ILE 80 10.151 -4.669 6.040 613 HG13 ILE 80 1HG1 ILE 80 10.375 -3.153 6.893 614 HG21 ILE 80 1HG2 ILE 80 10.772 -2.389 4.378 615 HG22 ILE 80 2HG2 ILE 80 9.378 -2.450 3.297 616 HG23 ILE 80 3HG2 ILE 80 10.158 -3.944 3.816 617 HD11 ILE 80 1HD1 ILE 80 9.373 -4.865 8.262 618 HD12 ILE 80 2HD1 ILE 80 7.983 -4.936 7.171 619 HD13 ILE 80 3HD1 ILE 80 8.328 -3.456 8.081 620 H MET 81 H MET 81 6.250 -1.092 4.771 621 HA MET 81 HA MET 81 7.214 0.305 2.491 622 HB2 MET 81 2HB MET 81 4.431 -0.114 3.538 623 HB3 MET 81 1HB MET 81 4.748 0.915 2.135 624 HG2 MET 81 2HG MET 81 5.537 -1.965 2.418 625 HG3 MET 81 1HG MET 81 4.189 -1.349 1.455 626 HE1 MET 81 1HE MET 81 7.183 -2.955 0.849 627 HE2 MET 81 2HE MET 81 7.362 -2.495 -0.840 628 HE3 MET 81 3HE MET 81 5.788 -3.064 -0.233 629 H SER 82 H SER 82 6.313 1.246 5.639 630 HA SER 82 HA SER 82 6.139 4.016 5.158 631 HB2 SER 82 2HB SER 82 7.006 2.538 7.652 632 HB3 SER 82 1HB SER 82 6.380 4.192 7.572 633 HG SER 82 HG SER 82 4.501 3.186 6.557 634 H LYS 83 H LYS 83 8.749 1.729 5.524 635 HA LYS 83 HA LYS 83 10.891 3.609 5.852 636 HB2 LYS 83 2HB LYS 83 11.027 0.845 4.616 637 HB3 LYS 83 1HB LYS 83 12.367 1.747 5.292 638 HG2 LYS 83 2HG LYS 83 10.031 0.679 6.862 639 HG3 LYS 83 1HG LYS 83 11.593 -0.129 6.715 640 HD2 LYS 83 2HD LYS 83 11.098 2.589 7.903 641 HD3 LYS 83 1HD LYS 83 11.289 1.074 8.791 642 HE2 LYS 83 2HE LYS 83 13.404 2.291 6.988 643 HE3 LYS 83 1HE LYS 83 13.376 2.448 8.738 644 HZ1 LYS 83 1HZ LYS 83 14.858 0.703 8.166 645 HZ2 LYS 83 2HZ LYS 83 13.729 -0.103 7.208 646 HZ3 LYS 83 3HZ LYS 83 13.512 -0.007 8.864 647 H LEU 84 H LEU 84 9.643 1.624 3.160 648 HA LEU 84 HA LEU 84 11.242 2.495 1.124 649 HB2 LEU 84 2HB LEU 84 9.651 0.552 1.127 650 HB3 LEU 84 1HB LEU 84 8.332 1.674 0.952 651 HG LEU 84 HG LEU 84 8.942 0.436 -1.131 652 HD11 LEU 84 1HD1 LEU 84 9.249 3.414 -1.353 653 HD12 LEU 84 2HD1 LEU 84 7.730 2.516 -1.349 654 HD13 LEU 84 3HD1 LEU 84 8.869 2.315 -2.680 655 HD21 LEU 84 1HD2 LEU 84 10.941 1.073 -2.376 656 HD22 LEU 84 2HD2 LEU 84 11.355 0.351 -0.821 657 HD23 LEU 84 3HD2 LEU 84 11.454 2.095 -1.040 658 H TYR 85 H TYR 85 7.997 3.776 1.956 659 HA TYR 85 HA TYR 85 8.203 5.680 -0.101 660 HB2 TYR 85 2HB TYR 85 6.120 5.264 1.992 661 HB3 TYR 85 1HB TYR 85 6.040 6.625 0.873 662 HD1 TYR 85 1HD TYR 85 5.340 3.134 1.315 663 HD2 TYR 85 2HD TYR 85 6.116 6.111 -1.618 664 HE1 TYR 85 1HE TYR 85 4.375 1.673 -0.414 665 HE2 TYR 85 2HE TYR 85 5.153 4.673 -3.351 666 HH TYR 85 HH TYR 85 3.301 1.974 -2.658 667 H GLN 86 H GLN 86 9.762 5.845 2.720 668 HA GLN 86 HA GLN 86 9.669 8.784 2.620 669 HB2 GLN 86 2HB GLN 86 10.257 7.056 5.005 670 HB3 GLN 86 1HB GLN 86 10.541 8.789 4.958 671 HG2 GLN 86 2HG GLN 86 8.175 9.174 4.558 672 HG3 GLN 86 1HG GLN 86 7.888 7.432 4.593 673 HE21 GLN 86 1HE2 GLN 86 8.150 6.346 6.501 674 HE22 GLN 86 2HE2 GLN 86 8.043 7.140 8.028 675 H ALA 87 H ALA 87 11.822 6.019 2.828 676 HA ALA 87 HA ALA 87 14.135 7.744 2.840 677 HB1 ALA 87 1HB ALA 87 13.936 4.753 2.558 678 HB2 ALA 87 2HB ALA 87 14.163 5.635 4.070 679 HB3 ALA 87 3HB ALA 87 15.417 5.670 2.829 680 H GLY 88 H GLY 88 12.227 6.036 0.527 681 HA2 GLY 88 2HA GLY 88 13.444 7.389 -1.646 682 HA3 GLY 88 1HA GLY 88 13.876 5.676 -1.610 683 H GLY 89 H GLY 89 11.066 7.771 -1.227 684 HA2 GLY 89 2HA GLY 89 9.379 5.576 -2.166 685 HA3 GLY 89 1HA GLY 89 8.867 7.018 -1.294 686 H ALA 90 H ALA 90 10.925 6.841 -4.092 687 HA ALA 90 HA ALA 90 10.882 7.821 -6.091 688 HB1 ALA 90 1HB ALA 90 7.949 7.113 -6.074 689 HB2 ALA 90 2HB ALA 90 9.259 6.010 -6.492 690 HB3 ALA 90 3HB ALA 90 8.943 7.424 -7.498 691 HA PRO 91 HA PRO 91 9.538 12.011 -4.686 692 HB2 PRO 91 2HB PRO 91 11.653 13.196 -6.061 693 HB3 PRO 91 1HB PRO 91 11.681 12.778 -4.348 694 HG2 PRO 91 2HG PRO 91 12.816 11.310 -6.680 695 HG3 PRO 91 1HG PRO 91 13.454 11.463 -5.035 696 HD2 PRO 91 2HD PRO 91 12.265 9.224 -5.904 697 HD3 PRO 91 1HD PRO 91 12.107 9.770 -4.225 698 H GLY 92 H GLY 92 7.919 12.771 -5.866 699 HA2 GLY 92 2HA GLY 92 8.255 13.338 -8.675 700 HA3 GLY 92 1HA GLY 92 7.060 12.100 -8.295 701 H GLY 93 H GLY 93 7.921 14.987 -6.542 702 HA2 GLY 93 2HA GLY 93 5.387 16.219 -7.268 703 HA3 GLY 93 1HA GLY 93 5.711 15.944 -5.556 704 H ALA 94 H ALA 94 6.098 18.008 -8.127 705 HA ALA 94 HA ALA 94 7.266 19.870 -8.583 706 HB1 ALA 94 1HB ALA 94 7.311 20.225 -5.583 707 HB2 ALA 94 2HB ALA 94 5.954 20.637 -6.628 708 HB3 ALA 94 3HB ALA 94 7.484 21.497 -6.795 709 H ALA 95 H ALA 95 8.954 18.424 -9.328 710 HA ALA 95 HA ALA 95 11.347 18.490 -7.648 711 HB1 ALA 95 1HB ALA 95 10.646 16.282 -8.456 712 HB2 ALA 95 2HB ALA 95 12.216 16.742 -9.114 713 HB3 ALA 95 3HB ALA 95 10.774 16.850 -10.120 714 H GLY 96 H GLY 96 13.405 18.725 -8.918 715 HA2 GLY 96 2HA GLY 96 13.200 21.141 -10.495 716 HA3 GLY 96 1HA GLY 96 14.665 20.428 -9.832 717 H GLY 97 H GLY 97 12.101 19.459 -12.087 718 HA2 GLY 97 2HA GLY 97 14.116 18.974 -14.103 719 HA3 GLY 97 1HA GLY 97 13.246 17.552 -13.540 720 H ALA 98 H ALA 98 12.467 20.876 -14.470 721 HA ALA 98 HA ALA 98 10.056 19.945 -15.685 722 HB1 ALA 98 1HB ALA 98 11.108 22.774 -15.720 723 HB2 ALA 98 2HB ALA 98 10.086 22.102 -14.454 724 HB3 ALA 98 3HB ALA 98 9.467 22.256 -16.099 725 HA PRO 99 HA PRO 99 12.197 21.296 -19.827 726 HB2 PRO 99 2HB PRO 99 14.952 21.250 -19.773 727 HB3 PRO 99 1HB PRO 99 14.001 22.729 -19.645 728 HG2 PRO 99 2HG PRO 99 15.299 21.112 -17.512 729 HG3 PRO 99 1HG PRO 99 15.147 22.874 -17.643 730 HD2 PRO 99 2HD PRO 99 13.552 21.379 -15.997 731 HD3 PRO 99 1HD PRO 99 12.985 22.860 -16.782 732 H GLY 100 H GLY 100 11.937 19.509 -20.935 733 HA2 GLY 100 2HA GLY 100 12.887 17.423 -21.739 734 HA3 GLY 100 1HA GLY 100 13.369 17.089 -20.070 735 H GLY 101 H GLY 101 10.561 17.828 -22.018 736 HA2 GLY 101 2HA GLY 101 8.955 15.770 -21.437 737 HA3 GLY 101 1HA GLY 101 8.752 16.847 -20.054 Start of MODEL 3 1 H1 SER 1 1HT SER 1 -21.444 -25.611 -12.753 2 H2 SER 1 2HT SER 1 -22.539 -26.725 -12.089 3 H3 SER 1 3HT SER 1 -21.358 -26.008 -11.113 4 HA SER 1 HA SER 1 -23.604 -24.635 -12.412 5 HB2 SER 1 2HB SER 1 -24.137 -26.052 -10.383 6 HB3 SER 1 1HB SER 1 -22.954 -25.116 -9.481 7 HG SER 1 HG SER 1 -24.657 -23.940 -9.051 8 H LYS 2 H LYS 2 -23.703 -22.372 -11.338 9 HA LYS 2 HA LYS 2 -21.197 -21.200 -11.903 10 HB2 LYS 2 2HB LYS 2 -23.838 -20.027 -11.188 11 HB3 LYS 2 1HB LYS 2 -22.407 -19.015 -11.179 12 HG2 LYS 2 2HG LYS 2 -23.433 -20.605 -13.536 13 HG3 LYS 2 1HG LYS 2 -23.639 -18.873 -13.301 14 HD2 LYS 2 2HD LYS 2 -20.982 -20.316 -13.658 15 HD3 LYS 2 1HD LYS 2 -21.801 -19.324 -14.853 16 HE2 LYS 2 2HE LYS 2 -21.567 -17.355 -13.426 17 HE3 LYS 2 1HE LYS 2 -20.803 -18.333 -12.179 18 HZ1 LYS 2 1HZ LYS 2 -19.219 -17.083 -13.513 19 HZ2 LYS 2 2HZ LYS 2 -19.710 -17.887 -14.892 20 HZ3 LYS 2 3HZ LYS 2 -18.928 -18.738 -13.665 21 H GLU 3 H GLU 3 -22.729 -22.057 -8.935 22 HA GLU 3 HA GLU 3 -21.375 -20.344 -7.209 23 HB2 GLU 3 2HB GLU 3 -22.491 -23.065 -6.855 24 HB3 GLU 3 1HB GLU 3 -21.497 -22.374 -5.579 25 HG2 GLU 3 2HG GLU 3 -24.031 -21.225 -6.709 26 HG3 GLU 3 1HG GLU 3 -23.815 -21.967 -5.124 27 H GLU 4 H GLU 4 -20.310 -23.636 -8.187 28 HA GLU 4 HA GLU 4 -17.901 -23.290 -6.763 29 HB2 GLU 4 2HB GLU 4 -17.089 -25.281 -7.926 30 HB3 GLU 4 1HB GLU 4 -18.649 -25.547 -7.148 31 HG2 GLU 4 2HG GLU 4 -18.462 -24.897 -10.071 32 HG3 GLU 4 1HG GLU 4 -18.164 -26.531 -9.511 33 H ASP 5 H ASP 5 -18.923 -22.740 -10.000 34 HA ASP 5 HA ASP 5 -16.434 -22.358 -11.220 35 HB2 ASP 5 2HB ASP 5 -18.556 -22.546 -12.462 36 HB3 ASP 5 1HB ASP 5 -19.036 -20.971 -11.841 37 H GLU 6 H GLU 6 -18.527 -20.143 -9.518 38 HA GLU 6 HA GLU 6 -16.871 -17.855 -10.043 39 HB2 GLU 6 2HB GLU 6 -19.048 -18.214 -8.014 40 HB3 GLU 6 1HB GLU 6 -18.205 -16.707 -8.315 41 HG2 GLU 6 2HG GLU 6 -19.033 -16.785 -10.648 42 HG3 GLU 6 1HG GLU 6 -19.988 -18.205 -10.195 43 H LYS 7 H LYS 7 -17.321 -20.000 -7.281 44 HA LYS 7 HA LYS 7 -15.587 -18.497 -5.629 45 HB2 LYS 7 2HB LYS 7 -16.405 -21.392 -5.372 46 HB3 LYS 7 1HB LYS 7 -15.609 -20.447 -4.127 47 HG2 LYS 7 2HG LYS 7 -18.391 -20.006 -5.228 48 HG3 LYS 7 1HG LYS 7 -17.963 -20.628 -3.636 49 HD2 LYS 7 2HD LYS 7 -16.909 -18.468 -3.093 50 HD3 LYS 7 1HD LYS 7 -17.370 -17.857 -4.681 51 HE2 LYS 7 2HE LYS 7 -19.275 -18.762 -2.512 52 HE3 LYS 7 1HE LYS 7 -18.906 -17.098 -2.930 53 HZ1 LYS 7 1HZ LYS 7 -19.815 -17.666 -5.228 54 HZ2 LYS 7 2HZ LYS 7 -20.872 -17.536 -3.964 55 HZ3 LYS 7 3HZ LYS 7 -20.508 -19.058 -4.515 56 H GLU 8 H GLU 8 -15.094 -21.371 -7.653 57 HA GLU 8 HA GLU 8 -12.401 -21.745 -7.010 58 HB2 GLU 8 2HB GLU 8 -14.015 -22.475 -9.427 59 HB3 GLU 8 1HB GLU 8 -12.311 -22.868 -9.312 60 HG2 GLU 8 2HG GLU 8 -14.439 -23.759 -7.377 61 HG3 GLU 8 1HG GLU 8 -13.789 -24.724 -8.702 62 H SER 9 H SER 9 -13.873 -19.850 -9.662 63 HA SER 9 HA SER 9 -11.429 -19.125 -10.825 64 HB2 SER 9 2HB SER 9 -14.003 -17.543 -10.859 65 HB3 SER 9 1HB SER 9 -12.641 -17.398 -11.987 66 HG SER 9 HG SER 9 -14.574 -19.393 -11.751 67 H GLN 10 H GLN 10 -13.296 -17.574 -8.255 68 HA GLN 10 HA GLN 10 -11.512 -15.367 -8.029 69 HB2 GLN 10 2HB GLN 10 -13.590 -16.432 -6.119 70 HB3 GLN 10 1HB GLN 10 -12.680 -14.949 -5.851 71 HG2 GLN 10 2HG GLN 10 -13.627 -13.972 -7.844 72 HG3 GLN 10 1HG GLN 10 -14.477 -15.477 -8.203 73 HE21 GLN 10 1HE2 GLN 10 -16.213 -16.051 -6.970 74 HE22 GLN 10 2HE2 GLN 10 -17.070 -14.948 -5.954 75 H ARG 11 H ARG 11 -11.700 -18.529 -6.611 76 HA ARG 11 HA ARG 11 -9.764 -18.240 -4.580 77 HB2 ARG 11 2HB ARG 11 -11.371 -20.134 -4.899 78 HB3 ARG 11 1HB ARG 11 -10.424 -20.645 -6.273 79 HG2 ARG 11 2HG ARG 11 -8.535 -21.121 -4.806 80 HG3 ARG 11 1HG ARG 11 -9.488 -20.579 -3.414 81 HD2 ARG 11 2HD ARG 11 -11.177 -22.255 -3.915 82 HD3 ARG 11 1HD ARG 11 -10.230 -22.822 -5.284 83 HE ARG 11 HE ARG 11 -8.837 -22.927 -2.769 84 HH11 ARG 11 1HH1 ARG 11 -11.123 -24.669 -4.913 85 HH12 ARG 11 2HH1 ARG 11 -10.729 -26.180 -4.255 86 HH21 ARG 11 1HH2 ARG 11 -8.388 -25.014 -1.890 87 HH22 ARG 11 2HH2 ARG 11 -9.150 -26.390 -2.526 88 H ILE 12 H ILE 12 -9.586 -19.132 -7.988 89 HA ILE 12 HA ILE 12 -6.807 -19.473 -8.224 90 HB ILE 12 HB ILE 12 -8.762 -18.408 -10.291 91 HG12 ILE 12 2HG1 ILE 12 -7.722 -21.226 -9.877 92 HG13 ILE 12 1HG1 ILE 12 -9.318 -20.666 -9.401 93 HG21 ILE 12 1HG2 ILE 12 -6.443 -17.890 -10.905 94 HG22 ILE 12 2HG2 ILE 12 -7.090 -19.131 -11.976 95 HG23 ILE 12 3HG2 ILE 12 -5.986 -19.576 -10.675 96 HD11 ILE 12 1HD1 ILE 12 -9.420 -21.935 -11.454 97 HD12 ILE 12 2HD1 ILE 12 -8.255 -20.848 -12.214 98 HD13 ILE 12 3HD1 ILE 12 -9.855 -20.255 -11.758 99 H ALA 13 H ALA 13 -8.866 -16.639 -8.548 100 HA ALA 13 HA ALA 13 -6.855 -14.818 -9.193 101 HB1 ALA 13 1HB ALA 13 -9.465 -14.249 -7.784 102 HB2 ALA 13 2HB ALA 13 -9.240 -14.345 -9.530 103 HB3 ALA 13 3HB ALA 13 -8.454 -13.063 -8.610 104 H SER 14 H SER 14 -8.107 -15.876 -6.074 105 HA SER 14 HA SER 14 -6.610 -14.121 -4.464 106 HB2 SER 14 2HB SER 14 -7.519 -16.938 -3.805 107 HB3 SER 14 1HB SER 14 -7.093 -15.678 -2.644 108 HG SER 14 HG SER 14 -8.948 -14.796 -4.387 109 H LYS 15 H LYS 15 -5.929 -17.442 -5.575 110 HA LYS 15 HA LYS 15 -3.364 -17.833 -4.520 111 HB2 LYS 15 2HB LYS 15 -4.623 -18.765 -7.109 112 HB3 LYS 15 1HB LYS 15 -3.046 -19.317 -6.576 113 HG2 LYS 15 2HG LYS 15 -3.961 -20.510 -4.765 114 HG3 LYS 15 1HG LYS 15 -5.491 -19.641 -4.865 115 HD2 LYS 15 2HD LYS 15 -6.103 -20.756 -6.869 116 HD3 LYS 15 1HD LYS 15 -4.488 -21.438 -7.074 117 HE2 LYS 15 2HE LYS 15 -6.227 -22.079 -4.700 118 HE3 LYS 15 1HE LYS 15 -6.361 -22.977 -6.207 119 HZ1 LYS 15 1HZ LYS 15 -3.838 -22.729 -4.633 120 HZ2 LYS 15 2HZ LYS 15 -4.094 -23.635 -6.015 121 HZ3 LYS 15 3HZ LYS 15 -4.888 -24.058 -4.605 122 H ASN 16 H ASN 16 -4.386 -16.424 -7.540 123 HA ASN 16 HA ASN 16 -1.972 -15.741 -8.747 124 HB2 ASN 16 2HB ASN 16 -4.235 -15.727 -9.805 125 HB3 ASN 16 1HB ASN 16 -4.643 -14.315 -8.855 126 HD21 ASN 16 1HD2 ASN 16 -4.677 -14.691 -11.693 127 HD22 ASN 16 2HD2 ASN 16 -3.613 -13.513 -12.378 128 H GLN 17 H GLN 17 -4.084 -13.802 -6.616 129 HA GLN 17 HA GLN 17 -2.501 -11.482 -6.606 130 HB2 GLN 17 2HB GLN 17 -4.884 -11.531 -5.908 131 HB3 GLN 17 1HB GLN 17 -4.422 -12.421 -4.466 132 HG2 GLN 17 2HG GLN 17 -3.058 -10.502 -3.738 133 HG3 GLN 17 1HG GLN 17 -3.561 -9.626 -5.176 134 HE21 GLN 17 1HE2 GLN 17 -4.509 -8.008 -4.026 135 HE22 GLN 17 2HE2 GLN 17 -5.977 -8.185 -3.145 136 H LEU 18 H LEU 18 -2.636 -14.169 -4.290 137 HA LEU 18 HA LEU 18 -0.798 -13.202 -2.429 138 HB2 LEU 18 2HB LEU 18 -1.719 -15.927 -3.197 139 HB3 LEU 18 1HB LEU 18 -0.297 -15.808 -2.190 140 HG LEU 18 HG LEU 18 -2.401 -16.222 -0.927 141 HD11 LEU 18 1HD1 LEU 18 -0.497 -15.220 0.170 142 HD12 LEU 18 2HD1 LEU 18 -1.999 -14.545 0.802 143 HD13 LEU 18 3HD1 LEU 18 -1.021 -13.613 -0.326 144 HD21 LEU 18 1HD2 LEU 18 -3.111 -13.407 -1.761 145 HD22 LEU 18 2HD2 LEU 18 -4.000 -14.410 -0.611 146 HD23 LEU 18 3HD2 LEU 18 -3.922 -14.870 -2.311 147 H GLU 19 H GLU 19 -0.216 -15.154 -5.285 148 HA GLU 19 HA GLU 19 2.566 -15.407 -4.967 149 HB2 GLU 19 2HB GLU 19 1.229 -16.812 -6.464 150 HB3 GLU 19 1HB GLU 19 0.904 -15.419 -7.484 151 HG2 GLU 19 2HG GLU 19 3.326 -15.229 -7.912 152 HG3 GLU 19 1HG GLU 19 3.565 -16.711 -6.985 153 H SER 20 H SER 20 0.604 -13.135 -6.883 154 HA SER 20 HA SER 20 2.797 -11.805 -8.039 155 HB2 SER 20 2HB SER 20 -0.033 -10.808 -7.684 156 HB3 SER 20 1HB SER 20 1.147 -10.205 -8.851 157 HG SER 20 HG SER 20 -0.374 -12.526 -8.858 158 H ILE 21 H ILE 21 0.919 -11.116 -5.102 159 HA ILE 21 HA ILE 21 2.132 -8.616 -4.656 160 HB ILE 21 HB ILE 21 0.662 -10.508 -2.812 161 HG12 ILE 21 2HG1 ILE 21 -0.747 -9.478 -4.517 162 HG13 ILE 21 1HG1 ILE 21 -1.156 -8.838 -2.937 163 HG21 ILE 21 1HG2 ILE 21 1.642 -7.745 -2.158 164 HG22 ILE 21 2HG2 ILE 21 2.206 -9.271 -1.468 165 HG23 ILE 21 3HG2 ILE 21 0.557 -8.717 -1.152 166 HD11 ILE 21 1HD1 ILE 21 0.142 -6.806 -3.456 167 HD12 ILE 21 2HD1 ILE 21 -1.176 -7.085 -4.588 168 HD13 ILE 21 3HD1 ILE 21 0.477 -7.451 -5.065 169 H ALA 22 H ALA 22 2.901 -11.912 -3.607 170 HA ALA 22 HA ALA 22 4.935 -11.230 -1.828 171 HB1 ALA 22 1HB ALA 22 4.706 -13.739 -3.500 172 HB2 ALA 22 2HB ALA 22 3.928 -13.453 -1.937 173 HB3 ALA 22 3HB ALA 22 5.683 -13.537 -2.040 174 H TYR 23 H TYR 23 5.089 -11.878 -5.341 175 HA TYR 23 HA TYR 23 7.888 -11.439 -5.447 176 HB2 TYR 23 2HB TYR 23 5.801 -11.413 -7.614 177 HB3 TYR 23 1HB TYR 23 7.498 -11.078 -7.937 178 HD1 TYR 23 1HD TYR 23 9.191 -12.873 -7.130 179 HD2 TYR 23 2HD TYR 23 5.045 -13.607 -7.685 180 HE1 TYR 23 1HE TYR 23 9.651 -15.275 -7.329 181 HE2 TYR 23 2HE TYR 23 5.494 -16.011 -7.880 182 HH TYR 23 HH TYR 23 7.364 -17.430 -8.518 183 H SER 24 H SER 24 5.130 -9.302 -5.927 184 HA SER 24 HA SER 24 6.624 -7.100 -6.828 185 HB2 SER 24 2HB SER 24 3.962 -7.129 -5.394 186 HB3 SER 24 1HB SER 24 4.627 -5.754 -6.281 187 HG SER 24 HG SER 24 3.705 -8.233 -7.238 188 H LEU 25 H LEU 25 5.834 -8.216 -3.595 189 HA LEU 25 HA LEU 25 6.741 -6.017 -2.102 190 HB2 LEU 25 2HB LEU 25 5.472 -7.966 -1.200 191 HB3 LEU 25 1HB LEU 25 6.888 -8.961 -1.467 192 HG LEU 25 HG LEU 25 8.127 -7.748 0.232 193 HD11 LEU 25 1HD1 LEU 25 7.014 -6.055 1.620 194 HD12 LEU 25 2HD1 LEU 25 5.606 -6.116 0.559 195 HD13 LEU 25 3HD1 LEU 25 7.152 -5.532 -0.057 196 HD21 LEU 25 1HD2 LEU 25 6.761 -9.651 0.919 197 HD22 LEU 25 2HD2 LEU 25 5.388 -8.576 1.178 198 HD23 LEU 25 3HD2 LEU 25 6.827 -8.427 2.184 199 H LYS 26 H LYS 26 8.414 -8.984 -3.086 200 HA LYS 26 HA LYS 26 10.966 -8.350 -2.135 201 HB2 LYS 26 2HB LYS 26 10.103 -10.049 -4.471 202 HB3 LYS 26 1HB LYS 26 11.755 -9.966 -3.899 203 HG2 LYS 26 2HG LYS 26 11.170 -11.062 -1.831 204 HG3 LYS 26 1HG LYS 26 9.457 -10.868 -2.167 205 HD2 LYS 26 2HD LYS 26 9.545 -12.350 -4.045 206 HD3 LYS 26 1HD LYS 26 11.301 -12.399 -3.995 207 HE2 LYS 26 2HE LYS 26 9.606 -13.388 -1.727 208 HE3 LYS 26 1HE LYS 26 10.001 -14.409 -3.099 209 HZ1 LYS 26 1HZ LYS 26 12.366 -13.995 -2.603 210 HZ2 LYS 26 2HZ LYS 26 11.550 -14.856 -1.480 211 HZ3 LYS 26 3HZ LYS 26 11.956 -13.250 -1.131 212 H ASN 27 H ASN 27 9.549 -7.843 -5.341 213 HA ASN 27 HA ASN 27 11.788 -6.689 -6.551 214 HB2 ASN 27 2HB ASN 27 8.851 -6.422 -7.218 215 HB3 ASN 27 1HB ASN 27 10.126 -5.729 -8.209 216 HD21 ASN 27 1HD2 ASN 27 8.155 -7.849 -8.838 217 HD22 ASN 27 2HD2 ASN 27 9.090 -9.210 -9.295 218 H THR 28 H THR 28 9.155 -5.169 -4.765 219 HA THR 28 HA THR 28 9.952 -2.521 -5.238 220 HB THR 28 HB THR 28 8.422 -3.675 -2.891 221 HG1 THR 28 1HG THR 28 7.302 -4.022 -4.748 222 HG21 THR 28 1HG2 THR 28 8.603 -0.807 -3.854 223 HG22 THR 28 2HG2 THR 28 9.304 -1.441 -2.366 224 HG23 THR 28 3HG2 THR 28 7.552 -1.392 -2.565 225 H ILE 29 H ILE 29 10.981 -4.880 -2.825 226 HA ILE 29 HA ILE 29 12.509 -2.940 -1.376 227 HB ILE 29 HB ILE 29 12.918 -5.959 -1.219 228 HG12 ILE 29 2HG1 ILE 29 10.536 -5.455 -0.858 229 HG13 ILE 29 1HG1 ILE 29 11.321 -5.955 0.631 230 HG21 ILE 29 1HG2 ILE 29 13.433 -3.718 0.705 231 HG22 ILE 29 2HG2 ILE 29 14.648 -4.659 -0.166 232 HG23 ILE 29 3HG2 ILE 29 13.607 -5.435 1.051 233 HD11 ILE 29 1HD1 ILE 29 10.659 -3.117 -0.141 234 HD12 ILE 29 2HD1 ILE 29 11.425 -3.636 1.366 235 HD13 ILE 29 3HD1 ILE 29 9.769 -4.121 1.002 236 H SER 30 H SER 30 13.066 -5.004 -4.102 237 HA SER 30 HA SER 30 15.885 -4.737 -4.205 238 HB2 SER 30 2HB SER 30 13.937 -5.136 -6.492 239 HB3 SER 30 1HB SER 30 15.666 -5.487 -6.518 240 HG SER 30 HG SER 30 14.512 -6.668 -4.427 241 H GLU 31 H GLU 31 13.165 -2.832 -5.413 242 HA GLU 31 HA GLU 31 14.570 -0.868 -6.849 243 HB2 GLU 31 2HB GLU 31 12.034 -0.532 -5.222 244 HB3 GLU 31 1HB GLU 31 12.611 0.577 -6.450 245 HG2 GLU 31 2HG GLU 31 11.737 -2.262 -6.923 246 HG3 GLU 31 1HG GLU 31 10.767 -0.827 -7.227 247 H ALA 32 H ALA 32 13.859 -1.295 -3.478 248 HA ALA 32 HA ALA 32 14.779 1.241 -2.598 249 HB1 ALA 32 1HB ALA 32 14.594 -1.306 -1.004 250 HB2 ALA 32 2HB ALA 32 13.244 -0.238 -1.328 251 HB3 ALA 32 3HB ALA 32 14.619 0.347 -0.372 252 H GLY 33 H GLY 33 16.205 -2.005 -2.303 253 HA2 GLY 33 2HA GLY 33 18.373 -2.715 -2.273 254 HA3 GLY 33 1HA GLY 33 18.806 -1.201 -3.055 255 H ASP 34 H ASP 34 19.514 0.501 -1.857 256 HA ASP 34 HA ASP 34 20.551 -0.173 0.792 257 HB2 ASP 34 2HB ASP 34 22.001 1.718 0.506 258 HB3 ASP 34 1HB ASP 34 22.032 0.754 -0.977 259 H LYS 35 H LYS 35 18.138 1.583 -0.719 260 HA LYS 35 HA LYS 35 17.772 3.744 1.095 261 HB2 LYS 35 2HB LYS 35 15.807 2.447 -0.780 262 HB3 LYS 35 1HB LYS 35 15.477 3.909 0.132 263 HG2 LYS 35 2HG LYS 35 17.312 5.035 -1.013 264 HG3 LYS 35 1HG LYS 35 17.627 3.566 -1.940 265 HD2 LYS 35 2HD LYS 35 15.456 3.673 -2.942 266 HD3 LYS 35 1HD LYS 35 15.004 5.060 -1.942 267 HE2 LYS 35 2HE LYS 35 16.870 6.325 -3.005 268 HE3 LYS 35 1HE LYS 35 17.120 4.936 -4.074 269 HZ1 LYS 35 1HZ LYS 35 14.630 6.556 -3.903 270 HZ2 LYS 35 2HZ LYS 35 14.913 5.255 -4.972 271 HZ3 LYS 35 3HZ LYS 35 15.791 6.662 -5.120 272 H LEU 36 H LEU 36 17.141 0.466 1.490 273 HA LEU 36 HA LEU 36 15.445 1.033 3.786 274 HB2 LEU 36 2HB LEU 36 14.158 0.223 1.768 275 HB3 LEU 36 1HB LEU 36 15.072 -1.261 1.852 276 HG LEU 36 HG LEU 36 13.444 -0.426 4.223 277 HD11 LEU 36 1HD1 LEU 36 11.524 -1.583 3.225 278 HD12 LEU 36 2HD1 LEU 36 12.423 -1.746 1.711 279 HD13 LEU 36 3HD1 LEU 36 11.983 -0.147 2.313 280 HD21 LEU 36 1HD2 LEU 36 14.089 -3.079 2.950 281 HD22 LEU 36 2HD2 LEU 36 13.219 -2.828 4.467 282 HD23 LEU 36 3HD2 LEU 36 14.917 -2.369 4.334 283 H GLU 37 H GLU 37 15.758 -0.477 5.513 284 HA GLU 37 HA GLU 37 18.544 -1.078 5.711 285 HB2 GLU 37 2HB GLU 37 16.307 -1.347 7.674 286 HB3 GLU 37 1HB GLU 37 18.006 -1.591 8.030 287 HG2 GLU 37 2HG GLU 37 18.478 0.720 7.554 288 HG3 GLU 37 1HG GLU 37 16.796 0.983 7.067 289 H GLN 38 H GLN 38 19.309 -3.067 6.684 290 HA GLN 38 HA GLN 38 18.659 -5.189 4.966 291 HB2 GLN 38 2HB GLN 38 20.925 -4.698 5.909 292 HB3 GLN 38 1HB GLN 38 20.373 -5.360 7.440 293 HG2 GLN 38 2HG GLN 38 21.611 -7.049 6.294 294 HG3 GLN 38 1HG GLN 38 19.909 -7.512 6.279 295 HE21 GLN 38 1HE2 GLN 38 22.015 -8.369 4.512 296 HE22 GLN 38 2HE2 GLN 38 21.531 -7.922 2.911 297 H ALA 39 H ALA 39 17.971 -4.767 8.432 298 HA ALA 39 HA ALA 39 17.012 -7.405 8.828 299 HB1 ALA 39 1HB ALA 39 16.119 -6.594 10.942 300 HB2 ALA 39 2HB ALA 39 16.366 -4.928 10.423 301 HB3 ALA 39 3HB ALA 39 17.754 -5.988 10.684 302 H ASP 40 H ASP 40 15.252 -4.361 8.348 303 HA ASP 40 HA ASP 40 12.767 -5.639 8.192 304 HB2 ASP 40 2HB ASP 40 12.161 -3.330 7.011 305 HB3 ASP 40 1HB ASP 40 12.383 -3.447 8.748 306 H LYS 41 H LYS 41 15.143 -4.909 5.766 307 HA LYS 41 HA LYS 41 13.724 -5.541 3.426 308 HB2 LYS 41 2HB LYS 41 15.981 -4.635 3.458 309 HB3 LYS 41 1HB LYS 41 16.593 -6.113 4.178 310 HG2 LYS 41 2HG LYS 41 15.928 -7.312 2.088 311 HG3 LYS 41 1HG LYS 41 15.523 -5.758 1.374 312 HD2 LYS 41 2HD LYS 41 18.223 -6.598 2.416 313 HD3 LYS 41 1HD LYS 41 17.762 -6.420 0.726 314 HE2 LYS 41 2HE LYS 41 17.479 -4.024 1.019 315 HE3 LYS 41 1HE LYS 41 17.773 -4.165 2.751 316 HZ1 LYS 41 1HZ LYS 41 19.991 -4.953 2.255 317 HZ2 LYS 41 2HZ LYS 41 19.743 -3.402 1.643 318 HZ3 LYS 41 3HZ LYS 41 19.735 -4.744 0.604 319 H ASP 42 H ASP 42 15.604 -7.598 5.607 320 HA ASP 42 HA ASP 42 15.122 -10.095 4.360 321 HB2 ASP 42 2HB ASP 42 16.883 -9.845 6.023 322 HB3 ASP 42 1HB ASP 42 15.702 -9.411 7.249 323 H THR 43 H THR 43 13.435 -8.427 6.906 324 HA THR 43 HA THR 43 11.683 -10.486 7.542 325 HB THR 43 HB THR 43 11.174 -7.509 7.763 326 HG1 THR 43 1HG THR 43 13.065 -8.022 8.862 327 HG21 THR 43 1HG2 THR 43 9.679 -8.145 9.612 328 HG22 THR 43 2HG2 THR 43 10.024 -9.848 9.314 329 HG23 THR 43 3HG2 THR 43 9.150 -8.905 8.111 330 H VAL 44 H VAL 44 11.120 -7.790 5.239 331 HA VAL 44 HA VAL 44 8.557 -8.785 4.545 332 HB VAL 44 HB VAL 44 8.893 -7.419 2.402 333 HG11 VAL 44 1HG1 VAL 44 8.321 -5.359 3.678 334 HG12 VAL 44 2HG1 VAL 44 8.848 -6.175 5.159 335 HG13 VAL 44 3HG1 VAL 44 7.469 -6.795 4.238 336 HG21 VAL 44 1HG2 VAL 44 11.145 -6.348 4.087 337 HG22 VAL 44 2HG2 VAL 44 10.506 -5.572 2.644 338 HG23 VAL 44 3HG2 VAL 44 11.287 -7.153 2.529 339 H THR 45 H THR 45 11.616 -9.085 2.843 340 HA THR 45 HA THR 45 10.497 -10.519 0.731 341 HB THR 45 HB THR 45 12.746 -11.223 0.226 342 HG1 THR 45 1HG THR 45 13.585 -9.502 2.395 343 HG21 THR 45 1HG2 THR 45 13.623 -8.941 -0.293 344 HG22 THR 45 2HG2 THR 45 12.345 -8.282 0.739 345 HG23 THR 45 3HG2 THR 45 11.931 -9.201 -0.710 346 H LYS 46 H LYS 46 11.935 -11.581 3.726 347 HA LYS 46 HA LYS 46 11.687 -14.356 3.225 348 HB2 LYS 46 2HB LYS 46 13.162 -13.447 4.942 349 HB3 LYS 46 1HB LYS 46 11.778 -12.893 5.858 350 HG2 LYS 46 2HG LYS 46 11.081 -15.216 6.223 351 HG3 LYS 46 1HG LYS 46 12.464 -15.759 5.275 352 HD2 LYS 46 2HD LYS 46 12.746 -14.051 7.737 353 HD3 LYS 46 1HD LYS 46 12.780 -15.816 7.771 354 HE2 LYS 46 2HE LYS 46 14.744 -15.893 6.447 355 HE3 LYS 46 1HE LYS 46 14.630 -14.190 6.028 356 HZ1 LYS 46 1HZ LYS 46 16.303 -14.730 7.730 357 HZ2 LYS 46 2HZ LYS 46 15.074 -15.138 8.808 358 HZ3 LYS 46 3HZ LYS 46 15.181 -13.562 8.147 359 H LYS 47 H LYS 47 9.411 -11.997 4.634 360 HA LYS 47 HA LYS 47 7.423 -13.940 5.253 361 HB2 LYS 47 2HB LYS 47 7.160 -10.986 4.614 362 HB3 LYS 47 1HB LYS 47 5.767 -11.978 4.998 363 HG2 LYS 47 2HG LYS 47 8.120 -11.469 6.829 364 HG3 LYS 47 1HG LYS 47 6.566 -10.646 6.911 365 HD2 LYS 47 2HD LYS 47 6.915 -13.637 7.229 366 HD3 LYS 47 1HD LYS 47 6.861 -12.506 8.572 367 HE2 LYS 47 2HE LYS 47 4.613 -11.890 8.042 368 HE3 LYS 47 1HE LYS 47 4.643 -12.799 6.541 369 HZ1 LYS 47 1HZ LYS 47 5.008 -14.823 7.937 370 HZ2 LYS 47 2HZ LYS 47 3.492 -14.098 8.160 371 HZ3 LYS 47 3HZ LYS 47 4.708 -13.881 9.312 372 H ALA 48 H ALA 48 8.338 -12.283 2.363 373 HA ALA 48 HA ALA 48 6.200 -13.206 0.756 374 HB1 ALA 48 1HB ALA 48 7.685 -12.633 -1.148 375 HB2 ALA 48 2HB ALA 48 9.019 -12.377 -0.007 376 HB3 ALA 48 3HB ALA 48 7.604 -11.342 0.042 377 H GLU 49 H GLU 49 9.388 -14.509 1.558 378 HA GLU 49 HA GLU 49 9.390 -16.851 0.020 379 HB2 GLU 49 2HB GLU 49 10.469 -16.460 2.830 380 HB3 GLU 49 1HB GLU 49 10.887 -17.789 1.774 381 HG2 GLU 49 2HG GLU 49 11.443 -14.913 1.111 382 HG3 GLU 49 1HG GLU 49 12.584 -15.957 1.950 383 H GLU 50 H GLU 50 8.073 -16.174 3.231 384 HA GLU 50 HA GLU 50 7.104 -18.741 3.842 385 HB2 GLU 50 2HB GLU 50 6.204 -16.019 4.747 386 HB3 GLU 50 1HB GLU 50 5.568 -17.514 5.408 387 HG2 GLU 50 2HG GLU 50 7.805 -18.076 6.216 388 HG3 GLU 50 1HG GLU 50 8.415 -16.565 5.540 389 H THR 51 H THR 51 5.742 -15.979 2.225 390 HA THR 51 HA THR 51 3.191 -17.021 2.092 391 HB THR 51 HB THR 51 4.461 -14.870 0.439 392 HG1 THR 51 1HG THR 51 4.375 -14.294 2.592 393 HG21 THR 51 1HG2 THR 51 1.525 -15.505 0.824 394 HG22 THR 51 2HG2 THR 51 2.422 -15.725 -0.680 395 HG23 THR 51 3HG2 THR 51 2.160 -14.102 -0.037 396 H ILE 52 H ILE 52 5.806 -16.989 -0.280 397 HA ILE 52 HA ILE 52 4.427 -18.300 -2.362 398 HB ILE 52 HB ILE 52 7.408 -18.349 -1.734 399 HG12 ILE 52 2HG1 ILE 52 5.843 -16.604 -3.657 400 HG13 ILE 52 1HG1 ILE 52 6.478 -16.087 -2.102 401 HG21 ILE 52 1HG2 ILE 52 7.731 -18.963 -4.096 402 HG22 ILE 52 2HG2 ILE 52 5.984 -19.055 -4.306 403 HG23 ILE 52 3HG2 ILE 52 6.800 -20.190 -3.232 404 HD11 ILE 52 1HD1 ILE 52 7.876 -15.323 -3.940 405 HD12 ILE 52 2HD1 ILE 52 8.108 -16.990 -4.468 406 HD13 ILE 52 3HD1 ILE 52 8.753 -16.461 -2.914 407 H SER 53 H SER 53 6.441 -19.516 0.264 408 HA SER 53 HA SER 53 6.281 -22.245 -0.311 409 HB2 SER 53 2HB SER 53 7.899 -21.152 1.264 410 HB3 SER 53 1HB SER 53 6.575 -20.910 2.395 411 HG SER 53 HG SER 53 7.773 -23.285 1.516 412 H TRP 54 H TRP 54 4.236 -20.149 1.758 413 HA TRP 54 HA TRP 54 2.546 -22.107 2.806 414 HB2 TRP 54 2HB TRP 54 2.663 -19.610 3.482 415 HB3 TRP 54 1HB TRP 54 1.634 -19.288 2.106 416 HD1 TRP 54 HD TRP 54 1.554 -20.643 5.619 417 HE1 TRP 54 1HE TRP 54 -0.866 -21.070 6.332 418 HE3 TRP 54 3HE TRP 54 -0.757 -19.978 1.101 419 HZ2 TRP 54 2HZ TRP 54 -3.463 -21.142 5.118 420 HZ3 TRP 54 3HZ TRP 54 -3.193 -20.247 0.987 421 HH2 TRP 54 HH TRP 54 -4.502 -20.812 2.949 422 H LEU 55 H LEU 55 2.330 -20.199 -0.123 423 HA LEU 55 HA LEU 55 -0.194 -21.150 -0.945 424 HB2 LEU 55 2HB LEU 55 0.735 -19.037 -1.719 425 HB3 LEU 55 1HB LEU 55 2.084 -19.859 -2.455 426 HG LEU 55 HG LEU 55 0.520 -20.858 -4.114 427 HD11 LEU 55 1HD1 LEU 55 -1.496 -19.046 -2.809 428 HD12 LEU 55 2HD1 LEU 55 -1.524 -20.812 -2.821 429 HD13 LEU 55 3HD1 LEU 55 -1.722 -19.914 -4.325 430 HD21 LEU 55 1HD2 LEU 55 0.475 -17.851 -3.923 431 HD22 LEU 55 2HD2 LEU 55 0.163 -18.799 -5.376 432 HD23 LEU 55 3HD2 LEU 55 1.760 -18.830 -4.627 433 H ASP 56 H ASP 56 3.008 -22.400 -1.319 434 HA ASP 56 HA ASP 56 2.256 -24.217 -3.405 435 HB2 ASP 56 2HB ASP 56 4.559 -23.334 -3.250 436 HB3 ASP 56 1HB ASP 56 4.753 -24.149 -1.704 437 H SER 57 H SER 57 2.750 -24.358 0.109 438 HA SER 57 HA SER 57 2.369 -27.182 0.104 439 HB2 SER 57 2HB SER 57 2.635 -25.251 2.411 440 HB3 SER 57 1HB SER 57 2.732 -27.010 2.512 441 HG SER 57 HG SER 57 4.437 -26.606 0.778 442 H ASN 58 H ASN 58 0.401 -24.293 0.736 443 HA ASN 58 HA ASN 58 -1.701 -26.052 1.746 444 HB2 ASN 58 2HB ASN 58 -1.062 -23.176 2.406 445 HB3 ASN 58 1HB ASN 58 -2.562 -23.961 2.882 446 HD21 ASN 58 1HD2 ASN 58 -0.269 -22.881 4.441 447 HD22 ASN 58 2HD2 ASN 58 0.205 -24.177 5.480 448 H THR 59 H THR 59 -1.199 -25.688 -0.894 449 HA THR 59 HA THR 59 -2.621 -23.700 -2.225 450 HB THR 59 HB THR 59 -0.888 -25.116 -3.272 451 HG1 THR 59 1HG THR 59 -1.897 -25.389 -5.247 452 HG21 THR 59 1HG2 THR 59 -2.966 -27.306 -3.212 453 HG22 THR 59 2HG2 THR 59 -1.484 -27.254 -2.261 454 HG23 THR 59 3HG2 THR 59 -1.394 -27.397 -4.012 455 H THR 60 H THR 60 -3.777 -26.565 -0.616 456 HA THR 60 HA THR 60 -6.227 -26.873 -2.013 457 HB THR 60 HB THR 60 -6.706 -28.319 0.038 458 HG1 THR 60 1HG THR 60 -4.204 -28.706 0.765 459 HG21 THR 60 1HG2 THR 60 -5.959 -29.257 -2.097 460 HG22 THR 60 2HG2 THR 60 -5.158 -30.085 -0.760 461 HG23 THR 60 3HG2 THR 60 -4.291 -28.864 -1.695 462 H ALA 61 H ALA 61 -5.253 -24.501 0.136 463 HA ALA 61 HA ALA 61 -7.545 -24.322 1.792 464 HB1 ALA 61 1HB ALA 61 -5.341 -23.258 2.306 465 HB2 ALA 61 2HB ALA 61 -6.703 -22.180 2.445 466 HB3 ALA 61 3HB ALA 61 -5.658 -22.083 1.026 467 H SER 62 H SER 62 -9.122 -22.442 1.703 468 HA SER 62 HA SER 62 -10.060 -22.167 -1.025 469 HB2 SER 62 2HB SER 62 -11.552 -23.034 0.837 470 HB3 SER 62 1HB SER 62 -11.425 -21.450 1.590 471 HG SER 62 HG SER 62 -12.722 -22.250 -0.742 472 H LYS 63 H LYS 63 -11.301 -19.795 -1.142 473 HA LYS 63 HA LYS 63 -9.100 -18.097 -1.507 474 HB2 LYS 63 2HB LYS 63 -10.598 -16.348 -2.216 475 HB3 LYS 63 1HB LYS 63 -11.037 -17.886 -2.935 476 HG2 LYS 63 2HG LYS 63 -12.926 -18.086 -1.458 477 HG3 LYS 63 1HG LYS 63 -12.422 -16.651 -0.575 478 HD2 LYS 63 2HD LYS 63 -13.036 -16.549 -3.524 479 HD3 LYS 63 1HD LYS 63 -14.306 -16.400 -2.318 480 HE2 LYS 63 2HE LYS 63 -13.636 -14.184 -3.016 481 HE3 LYS 63 1HE LYS 63 -13.117 -14.436 -1.361 482 HZ1 LYS 63 1HZ LYS 63 -11.295 -14.585 -3.745 483 HZ2 LYS 63 2HZ LYS 63 -10.808 -14.619 -2.122 484 HZ3 LYS 63 3HZ LYS 63 -11.510 -13.275 -2.748 485 H GLU 64 H GLU 64 -11.298 -18.212 1.205 486 HA GLU 64 HA GLU 64 -10.506 -15.655 2.163 487 HB2 GLU 64 2HB GLU 64 -11.762 -17.919 3.686 488 HB3 GLU 64 1HB GLU 64 -11.469 -16.324 4.344 489 HG2 GLU 64 2HG GLU 64 -12.927 -15.390 2.563 490 HG3 GLU 64 1HG GLU 64 -13.329 -17.043 2.098 491 H GLU 65 H GLU 65 -9.338 -18.897 2.784 492 HA GLU 65 HA GLU 65 -7.520 -18.175 4.783 493 HB2 GLU 65 2HB GLU 65 -7.275 -20.383 2.765 494 HB3 GLU 65 1HB GLU 65 -6.322 -20.259 4.237 495 HG2 GLU 65 2HG GLU 65 -7.919 -21.783 4.886 496 HG3 GLU 65 1HG GLU 65 -8.670 -20.266 5.376 497 H PHE 66 H PHE 66 -7.217 -18.288 1.284 498 HA PHE 66 HA PHE 66 -4.502 -17.515 1.200 499 HB2 PHE 66 2HB PHE 66 -6.692 -17.099 -0.855 500 HB3 PHE 66 1HB PHE 66 -5.006 -16.696 -1.142 501 HD1 PHE 66 1HD PHE 66 -3.390 -18.767 -0.479 502 HD2 PHE 66 2HD PHE 66 -7.417 -19.067 -1.787 503 HE1 PHE 66 1HE PHE 66 -2.970 -21.063 -1.264 504 HE2 PHE 66 2HE PHE 66 -7.006 -21.341 -2.563 505 HZ PHE 66 HZ PHE 66 -4.784 -22.352 -2.305 506 H ASP 67 H ASP 67 -7.491 -15.666 1.161 507 HA ASP 67 HA ASP 67 -6.298 -13.120 0.865 508 HB2 ASP 67 2HB ASP 67 -8.726 -13.703 0.478 509 HB3 ASP 67 1HB ASP 67 -8.924 -13.713 2.224 510 H ASP 68 H ASP 68 -7.210 -15.001 3.670 511 HA ASP 68 HA ASP 68 -6.648 -13.154 5.732 512 HB2 ASP 68 2HB ASP 68 -7.845 -15.333 6.017 513 HB3 ASP 68 1HB ASP 68 -6.289 -16.124 5.732 514 H LYS 69 H LYS 69 -4.692 -15.543 4.059 515 HA LYS 69 HA LYS 69 -2.333 -15.154 5.496 516 HB2 LYS 69 2HB LYS 69 -3.314 -16.756 3.407 517 HB3 LYS 69 1HB LYS 69 -1.855 -16.002 2.796 518 HG2 LYS 69 2HG LYS 69 -2.109 -17.589 5.343 519 HG3 LYS 69 1HG LYS 69 -1.412 -18.165 3.831 520 HD2 LYS 69 2HD LYS 69 -0.368 -15.859 5.478 521 HD3 LYS 69 1HD LYS 69 0.302 -17.489 5.441 522 HE2 LYS 69 2HE LYS 69 0.904 -17.278 3.166 523 HE3 LYS 69 1HE LYS 69 0.043 -15.748 2.990 524 HZ1 LYS 69 1HZ LYS 69 2.389 -15.288 3.276 525 HZ2 LYS 69 2HZ LYS 69 2.420 -16.246 4.668 526 HZ3 LYS 69 3HZ LYS 69 1.564 -14.829 4.664 527 H LEU 70 H LEU 70 -3.735 -13.631 2.698 528 HA LEU 70 HA LEU 70 -1.495 -12.100 1.927 529 HB2 LEU 70 2HB LEU 70 -3.551 -12.594 0.538 530 HB3 LEU 70 1HB LEU 70 -4.448 -11.492 1.542 531 HG LEU 70 HG LEU 70 -3.843 -10.612 -0.715 532 HD11 LEU 70 1HD1 LEU 70 -2.694 -9.057 1.572 533 HD12 LEU 70 2HD1 LEU 70 -4.376 -9.067 1.057 534 HD13 LEU 70 3HD1 LEU 70 -3.131 -8.404 -0.007 535 HD21 LEU 70 1HD2 LEU 70 -1.556 -9.867 -1.128 536 HD22 LEU 70 2HD2 LEU 70 -1.660 -11.619 -0.962 537 HD23 LEU 70 3HD2 LEU 70 -1.031 -10.642 0.366 538 H LYS 71 H LYS 71 -4.193 -11.547 4.111 539 HA LYS 71 HA LYS 71 -3.482 -8.929 4.820 540 HB2 LYS 71 2HB LYS 71 -5.352 -10.916 5.949 541 HB3 LYS 71 1HB LYS 71 -4.829 -9.641 7.032 542 HG2 LYS 71 2HG LYS 71 -6.914 -9.044 5.973 543 HG3 LYS 71 1HG LYS 71 -5.639 -7.962 5.427 544 HD2 LYS 71 2HD LYS 71 -5.481 -9.239 3.340 545 HD3 LYS 71 1HD LYS 71 -6.752 -10.325 3.911 546 HE2 LYS 71 2HE LYS 71 -8.278 -8.382 4.073 547 HE3 LYS 71 1HE LYS 71 -7.009 -7.366 3.388 548 HZ1 LYS 71 1HZ LYS 71 -7.088 -8.700 1.365 549 HZ2 LYS 71 2HZ LYS 71 -8.642 -8.135 1.741 550 HZ3 LYS 71 3HZ LYS 71 -8.230 -9.718 2.082 551 H GLU 72 H GLU 72 -2.369 -12.000 6.220 552 HA GLU 72 HA GLU 72 -1.026 -10.564 8.302 553 HB2 GLU 72 2HB GLU 72 0.064 -12.656 8.962 554 HB3 GLU 72 1HB GLU 72 -1.639 -12.930 8.688 555 HG2 GLU 72 2HG GLU 72 -0.698 -14.815 7.757 556 HG3 GLU 72 1HG GLU 72 -0.845 -13.769 6.355 557 H LEU 73 H LEU 73 -0.223 -11.617 5.149 558 HA LEU 73 HA LEU 73 2.514 -10.996 5.163 559 HB2 LEU 73 2HB LEU 73 1.339 -12.273 3.364 560 HB3 LEU 73 1HB LEU 73 0.511 -10.820 2.882 561 HG LEU 73 HG LEU 73 2.357 -11.574 1.359 562 HD11 LEU 73 1HD1 LEU 73 2.743 -8.832 2.519 563 HD12 LEU 73 2HD1 LEU 73 1.608 -9.288 1.247 564 HD13 LEU 73 3HD1 LEU 73 3.343 -9.396 0.958 565 HD21 LEU 73 1HD2 LEU 73 4.670 -11.146 1.983 566 HD22 LEU 73 2HD2 LEU 73 3.933 -12.352 3.032 567 HD23 LEU 73 3HD2 LEU 73 4.155 -10.699 3.609 568 H GLN 74 H GLN 74 -0.310 -9.040 4.326 569 HA GLN 74 HA GLN 74 1.056 -6.618 3.846 570 HB2 GLN 74 2HB GLN 74 -1.784 -7.087 4.739 571 HB3 GLN 74 1HB GLN 74 -1.151 -5.533 4.218 572 HG2 GLN 74 2HG GLN 74 -1.158 -7.996 2.512 573 HG3 GLN 74 1HG GLN 74 -2.440 -6.789 2.486 574 HE21 GLN 74 1HE2 GLN 74 0.826 -7.524 1.624 575 HE22 GLN 74 2HE2 GLN 74 1.068 -6.146 0.607 576 H ASP 75 H ASP 75 -0.366 -7.952 6.789 577 HA ASP 75 HA ASP 75 -0.156 -5.736 8.465 578 HB2 ASP 75 2HB ASP 75 -1.362 -7.737 9.158 579 HB3 ASP 75 1HB ASP 75 0.137 -8.655 9.204 580 H ILE 76 H ILE 76 2.264 -8.144 7.704 581 HA ILE 76 HA ILE 76 4.165 -6.819 9.443 582 HB ILE 76 HB ILE 76 4.526 -9.230 7.636 583 HG12 ILE 76 2HG1 ILE 76 2.998 -9.647 9.518 584 HG13 ILE 76 1HG1 ILE 76 4.499 -10.540 9.704 585 HG21 ILE 76 1HG2 ILE 76 6.658 -8.105 7.948 586 HG22 ILE 76 2HG2 ILE 76 6.630 -9.624 8.846 587 HG23 ILE 76 3HG2 ILE 76 6.415 -8.097 9.695 588 HD11 ILE 76 1HD1 ILE 76 3.745 -8.005 11.153 589 HD12 ILE 76 2HD1 ILE 76 5.281 -8.853 11.311 590 HD13 ILE 76 3HD1 ILE 76 3.788 -9.634 11.829 591 H ALA 77 H ALA 77 3.525 -7.115 5.997 592 HA ALA 77 HA ALA 77 6.003 -6.007 5.180 593 HB1 ALA 77 1HB ALA 77 4.687 -7.476 3.723 594 HB2 ALA 77 2HB ALA 77 5.098 -5.950 2.946 595 HB3 ALA 77 3HB ALA 77 3.470 -6.210 3.574 596 H ASN 78 H ASN 78 2.811 -4.580 5.621 597 HA ASN 78 HA ASN 78 3.277 -2.175 4.392 598 HB2 ASN 78 2HB ASN 78 1.358 -2.900 6.574 599 HB3 ASN 78 1HB ASN 78 1.487 -1.235 6.018 600 HD21 ASN 78 1HD2 ASN 78 -0.619 -1.327 5.259 601 HD22 ASN 78 2HD2 ASN 78 -1.046 -2.112 3.786 602 HA PRO 79 HA PRO 79 4.986 -0.194 8.565 603 HB2 PRO 79 2HB PRO 79 6.407 -2.692 9.410 604 HB3 PRO 79 1HB PRO 79 5.775 -1.375 10.406 605 HG2 PRO 79 2HG PRO 79 4.455 -3.651 10.279 606 HG3 PRO 79 1HG PRO 79 3.575 -2.112 10.217 607 HD2 PRO 79 2HD PRO 79 4.237 -4.003 8.000 608 HD3 PRO 79 1HD PRO 79 2.760 -3.058 8.273 609 H ILE 80 H ILE 80 6.678 -2.881 6.943 610 HA ILE 80 HA ILE 80 9.120 -1.384 6.767 611 HB ILE 80 HB ILE 80 8.321 -3.997 5.431 612 HG12 ILE 80 2HG1 ILE 80 10.249 -4.898 6.850 613 HG13 ILE 80 1HG1 ILE 80 10.246 -3.344 7.658 614 HG21 ILE 80 1HG2 ILE 80 10.974 -2.590 5.223 615 HG22 ILE 80 2HG2 ILE 80 9.825 -2.878 3.912 616 HG23 ILE 80 3HG2 ILE 80 10.652 -4.235 4.678 617 HD11 ILE 80 1HD1 ILE 80 7.973 -5.295 7.621 618 HD12 ILE 80 2HD1 ILE 80 8.028 -3.756 8.494 619 HD13 ILE 80 3HD1 ILE 80 9.145 -5.061 8.916 620 H MET 81 H MET 81 6.392 -1.947 4.674 621 HA MET 81 HA MET 81 7.375 -0.691 2.345 622 HB2 MET 81 2HB MET 81 4.538 -0.714 3.416 623 HB3 MET 81 1HB MET 81 4.983 -0.137 1.830 624 HG2 MET 81 2HG MET 81 5.520 -2.966 2.686 625 HG3 MET 81 1HG MET 81 3.963 -2.474 2.054 626 HE1 MET 81 1HE MET 81 7.727 -3.101 1.327 627 HE2 MET 81 2HE MET 81 7.759 -1.456 0.635 628 HE3 MET 81 3HE MET 81 7.845 -2.870 -0.404 629 H SER 82 H SER 82 6.152 0.559 5.343 630 HA SER 82 HA SER 82 5.817 3.233 4.504 631 HB2 SER 82 2HB SER 82 6.263 2.142 7.299 632 HB3 SER 82 1HB SER 82 5.606 3.731 6.896 633 HG SER 82 HG SER 82 4.407 1.314 5.995 634 H LYS 83 H LYS 83 8.563 1.344 5.565 635 HA LYS 83 HA LYS 83 10.397 3.456 6.083 636 HB2 LYS 83 2HB LYS 83 11.016 0.722 4.903 637 HB3 LYS 83 1HB LYS 83 12.161 1.772 5.701 638 HG2 LYS 83 2HG LYS 83 9.803 0.475 7.056 639 HG3 LYS 83 1HG LYS 83 11.425 -0.215 7.036 640 HD2 LYS 83 2HD LYS 83 10.645 2.455 8.197 641 HD3 LYS 83 1HD LYS 83 10.865 0.963 9.108 642 HE2 LYS 83 2HE LYS 83 13.031 2.324 7.479 643 HE3 LYS 83 1HE LYS 83 12.824 2.489 9.219 644 HZ1 LYS 83 1HZ LYS 83 13.221 0.086 9.433 645 HZ2 LYS 83 2HZ LYS 83 14.518 0.880 8.778 646 HZ3 LYS 83 3HZ LYS 83 13.535 -0.060 7.781 647 H LEU 84 H LEU 84 9.544 1.503 3.314 648 HA LEU 84 HA LEU 84 11.375 2.536 1.476 649 HB2 LEU 84 2HB LEU 84 10.362 0.333 1.212 650 HB3 LEU 84 1HB LEU 84 8.785 1.047 1.061 651 HG LEU 84 HG LEU 84 9.915 0.108 -1.043 652 HD11 LEU 84 1HD1 LEU 84 8.821 2.909 -1.090 653 HD12 LEU 84 2HD1 LEU 84 7.887 1.412 -1.158 654 HD13 LEU 84 3HD1 LEU 84 8.973 1.838 -2.482 655 HD21 LEU 84 1HD2 LEU 84 11.434 1.581 -2.248 656 HD22 LEU 84 2HD2 LEU 84 12.121 1.218 -0.656 657 HD23 LEU 84 3HD2 LEU 84 11.350 2.763 -0.951 658 H TYR 85 H TYR 85 8.016 3.457 2.112 659 HA TYR 85 HA TYR 85 7.858 5.201 -0.086 660 HB2 TYR 85 2HB TYR 85 6.151 4.992 2.369 661 HB3 TYR 85 1HB TYR 85 5.893 6.284 1.203 662 HD1 TYR 85 1HD TYR 85 5.341 2.804 1.942 663 HD2 TYR 85 2HD TYR 85 5.348 5.693 -1.166 664 HE1 TYR 85 1HE TYR 85 4.014 1.290 0.540 665 HE2 TYR 85 2HE TYR 85 4.015 4.195 -2.571 666 HH TYR 85 HH TYR 85 2.472 1.464 -1.369 667 H GLN 86 H GLN 86 9.763 5.658 2.522 668 HA GLN 86 HA GLN 86 9.525 8.561 2.502 669 HB2 GLN 86 2HB GLN 86 11.476 6.822 4.014 670 HB3 GLN 86 1HB GLN 86 11.127 8.517 4.310 671 HG2 GLN 86 2HG GLN 86 8.881 7.962 5.027 672 HG3 GLN 86 1HG GLN 86 9.167 6.263 4.660 673 HE21 GLN 86 1HE2 GLN 86 8.396 7.404 7.171 674 HE22 GLN 86 2HE2 GLN 86 9.633 6.983 8.295 675 H ALA 87 H ALA 87 11.303 6.091 0.941 676 HA ALA 87 HA ALA 87 13.219 8.108 -0.025 677 HB1 ALA 87 1HB ALA 87 14.311 6.789 1.706 678 HB2 ALA 87 2HB ALA 87 15.067 6.535 0.132 679 HB3 ALA 87 3HB ALA 87 13.977 5.317 0.797 680 H GLY 88 H GLY 88 11.177 5.403 -0.866 681 HA2 GLY 88 2HA GLY 88 11.999 5.741 -3.632 682 HA3 GLY 88 1HA GLY 88 12.095 4.126 -2.934 683 H GLY 89 H GLY 89 9.754 6.581 -2.201 684 HA2 GLY 89 2HA GLY 89 7.718 4.932 -3.486 685 HA3 GLY 89 1HA GLY 89 7.498 5.480 -1.832 686 H ALA 90 H ALA 90 8.569 6.807 -4.812 687 HA ALA 90 HA ALA 90 8.117 8.613 -6.033 688 HB1 ALA 90 1HB ALA 90 5.380 8.598 -4.778 689 HB2 ALA 90 2HB ALA 90 5.865 7.601 -6.147 690 HB3 ALA 90 3HB ALA 90 5.839 9.357 -6.303 691 HA PRO 91 HA PRO 91 9.099 11.806 -2.936 692 HB2 PRO 91 2HB PRO 91 11.068 12.557 -4.969 693 HB3 PRO 91 1HB PRO 91 11.336 12.161 -3.273 694 HG2 PRO 91 2HG PRO 91 12.117 10.554 -5.317 695 HG3 PRO 91 1HG PRO 91 11.696 9.936 -3.717 696 HD2 PRO 91 2HD PRO 91 10.111 9.879 -6.238 697 HD3 PRO 91 1HD PRO 91 10.179 8.721 -4.884 698 H GLY 92 H GLY 92 7.590 13.333 -3.164 699 HA2 GLY 92 2HA GLY 92 6.512 14.130 -5.650 700 HA3 GLY 92 1HA GLY 92 6.183 14.871 -4.096 701 H GLY 93 H GLY 93 6.809 15.903 -6.874 702 HA2 GLY 93 2HA GLY 93 7.533 18.166 -7.136 703 HA3 GLY 93 1HA GLY 93 8.807 17.833 -5.971 704 H ALA 94 H ALA 94 10.475 18.413 -7.224 705 HA ALA 94 HA ALA 94 12.236 18.141 -8.577 706 HB1 ALA 94 1HB ALA 94 11.083 15.432 -9.276 707 HB2 ALA 94 2HB ALA 94 12.166 15.756 -7.923 708 HB3 ALA 94 3HB ALA 94 12.735 15.967 -9.580 709 H ALA 95 H ALA 95 9.564 19.142 -9.528 710 HA ALA 95 HA ALA 95 9.773 18.633 -12.363 711 HB1 ALA 95 1HB ALA 95 7.530 18.693 -11.342 712 HB2 ALA 95 2HB ALA 95 7.719 19.944 -12.571 713 HB3 ALA 95 3HB ALA 95 7.802 20.370 -10.866 714 H GLY 96 H GLY 96 11.530 19.625 -13.125 715 HA2 GLY 96 2HA GLY 96 11.648 22.544 -12.726 716 HA3 GLY 96 1HA GLY 96 13.091 21.536 -12.792 717 H GLY 97 H GLY 97 11.056 20.145 -14.898 718 HA2 GLY 97 2HA GLY 97 12.529 21.154 -17.142 719 HA3 GLY 97 1HA GLY 97 11.338 19.865 -17.150 720 H ALA 98 H ALA 98 11.569 23.326 -16.698 721 HA ALA 98 HA ALA 98 8.935 23.895 -17.438 722 HB1 ALA 98 1HB ALA 98 11.269 25.809 -17.623 723 HB2 ALA 98 2HB ALA 98 10.310 25.493 -16.179 724 HB3 ALA 98 3HB ALA 98 9.557 26.225 -17.593 725 HA PRO 99 HA PRO 99 10.327 24.609 -21.926 726 HB2 PRO 99 2HB PRO 99 12.891 23.298 -22.348 727 HB3 PRO 99 1HB PRO 99 12.460 24.980 -22.658 728 HG2 PRO 99 2HG PRO 99 14.171 24.228 -20.687 729 HG3 PRO 99 1HG PRO 99 13.168 25.681 -20.590 730 HD2 PRO 99 2HD PRO 99 12.708 22.983 -19.352 731 HD3 PRO 99 1HD PRO 99 12.450 24.583 -18.639 732 H GLY 100 H GLY 100 8.719 23.087 -21.960 733 HA2 GLY 100 2HA GLY 100 8.946 20.926 -23.541 734 HA3 GLY 100 1HA GLY 100 9.285 20.281 -21.933 735 H GLY 101 H GLY 101 7.042 22.744 -23.164 736 HA2 GLY 101 2HA GLY 101 4.806 21.088 -22.673 737 HA3 GLY 101 1HA GLY 101 5.010 22.381 -21.487 Start of MODEL 4 1 H1 SER 1 1HT SER 1 -21.085 -24.543 -13.324 2 H2 SER 1 2HT SER 1 -21.945 -26.001 -13.232 3 H3 SER 1 3HT SER 1 -20.692 -25.719 -12.150 4 HA SER 1 HA SER 1 -23.289 -24.344 -12.337 5 HB2 SER 1 2HB SER 1 -22.025 -26.055 -10.179 6 HB3 SER 1 1HB SER 1 -23.654 -25.372 -10.149 7 HG SER 1 HG SER 1 -22.855 -27.670 -11.221 8 H LYS 2 H LYS 2 -23.628 -22.736 -10.599 9 HA LYS 2 HA LYS 2 -21.683 -20.745 -10.639 10 HB2 LYS 2 2HB LYS 2 -24.023 -21.070 -8.772 11 HB3 LYS 2 1HB LYS 2 -22.989 -19.651 -8.811 12 HG2 LYS 2 2HG LYS 2 -23.622 -19.319 -11.190 13 HG3 LYS 2 1HG LYS 2 -24.736 -20.675 -11.038 14 HD2 LYS 2 2HD LYS 2 -25.866 -18.482 -10.776 15 HD3 LYS 2 1HD LYS 2 -26.009 -19.490 -9.336 16 HE2 LYS 2 2HE LYS 2 -24.272 -18.224 -8.223 17 HE3 LYS 2 1HE LYS 2 -23.941 -17.300 -9.682 18 HZ1 LYS 2 1HZ LYS 2 -26.517 -17.256 -8.219 19 HZ2 LYS 2 2HZ LYS 2 -26.053 -16.232 -9.476 20 HZ3 LYS 2 3HZ LYS 2 -25.282 -16.153 -7.986 21 H GLU 3 H GLU 3 -22.283 -23.131 -8.181 22 HA GLU 3 HA GLU 3 -20.722 -22.214 -6.075 23 HB2 GLU 3 2HB GLU 3 -22.197 -24.101 -5.847 24 HB3 GLU 3 1HB GLU 3 -21.351 -24.988 -7.097 25 HG2 GLU 3 2HG GLU 3 -20.915 -25.886 -4.874 26 HG3 GLU 3 1HG GLU 3 -19.447 -25.290 -5.636 27 H GLU 4 H GLU 4 -19.859 -24.300 -8.746 28 HA GLU 4 HA GLU 4 -17.113 -24.609 -8.099 29 HB2 GLU 4 2HB GLU 4 -18.439 -24.851 -10.784 30 HB3 GLU 4 1HB GLU 4 -16.949 -25.615 -10.259 31 HG2 GLU 4 2HG GLU 4 -18.134 -27.036 -8.761 32 HG3 GLU 4 1HG GLU 4 -19.640 -26.168 -9.059 33 H ASP 5 H ASP 5 -18.877 -22.764 -10.544 34 HA ASP 5 HA ASP 5 -16.708 -21.706 -11.921 35 HB2 ASP 5 2HB ASP 5 -18.942 -21.708 -12.830 36 HB3 ASP 5 1HB ASP 5 -19.457 -20.568 -11.597 37 H GLU 6 H GLU 6 -18.597 -20.173 -9.379 38 HA GLU 6 HA GLU 6 -16.982 -17.829 -9.588 39 HB2 GLU 6 2HB GLU 6 -19.073 -18.550 -7.551 40 HB3 GLU 6 1HB GLU 6 -18.253 -16.999 -7.626 41 HG2 GLU 6 2HG GLU 6 -19.162 -16.675 -9.903 42 HG3 GLU 6 1HG GLU 6 -20.061 -18.182 -9.720 43 H LYS 7 H LYS 7 -17.264 -20.441 -7.196 44 HA LYS 7 HA LYS 7 -15.424 -19.085 -5.552 45 HB2 LYS 7 2HB LYS 7 -16.698 -21.799 -5.301 46 HB3 LYS 7 1HB LYS 7 -15.601 -21.127 -4.084 47 HG2 LYS 7 2HG LYS 7 -17.024 -19.248 -3.718 48 HG3 LYS 7 1HG LYS 7 -18.043 -19.683 -5.074 49 HD2 LYS 7 2HD LYS 7 -19.147 -20.144 -2.954 50 HD3 LYS 7 1HD LYS 7 -18.851 -21.634 -3.830 51 HE2 LYS 7 2HE LYS 7 -16.931 -20.689 -1.730 52 HE3 LYS 7 1HE LYS 7 -18.421 -21.516 -1.282 53 HZ1 LYS 7 1HZ LYS 7 -16.279 -22.634 -3.027 54 HZ2 LYS 7 2HZ LYS 7 -17.772 -23.316 -2.734 55 HZ3 LYS 7 3HZ LYS 7 -16.684 -23.135 -1.456 56 H GLU 8 H GLU 8 -14.948 -21.535 -8.071 57 HA GLU 8 HA GLU 8 -12.311 -22.069 -7.341 58 HB2 GLU 8 2HB GLU 8 -13.748 -23.526 -8.689 59 HB3 GLU 8 1HB GLU 8 -13.829 -22.286 -9.931 60 HG2 GLU 8 2HG GLU 8 -12.327 -23.870 -10.630 61 HG3 GLU 8 1HG GLU 8 -11.434 -22.420 -10.100 62 H SER 9 H SER 9 -13.927 -19.824 -9.652 63 HA SER 9 HA SER 9 -11.527 -18.798 -10.741 64 HB2 SER 9 2HB SER 9 -14.234 -17.461 -10.591 65 HB3 SER 9 1HB SER 9 -12.884 -16.960 -11.618 66 HG SER 9 HG SER 9 -14.548 -19.205 -11.783 67 H GLN 10 H GLN 10 -13.506 -17.761 -8.014 68 HA GLN 10 HA GLN 10 -11.975 -15.451 -7.472 69 HB2 GLN 10 2HB GLN 10 -13.828 -17.068 -5.738 70 HB3 GLN 10 1HB GLN 10 -13.101 -15.547 -5.219 71 HG2 GLN 10 2HG GLN 10 -14.213 -14.370 -6.997 72 HG3 GLN 10 1HG GLN 10 -14.821 -15.884 -7.656 73 HE21 GLN 10 1HE2 GLN 10 -16.892 -15.211 -7.515 74 HE22 GLN 10 2HE2 GLN 10 -17.761 -15.070 -6.028 75 H ARG 11 H ARG 11 -11.649 -18.822 -6.570 76 HA ARG 11 HA ARG 11 -9.531 -18.501 -4.746 77 HB2 ARG 11 2HB ARG 11 -10.508 -20.708 -4.964 78 HB3 ARG 11 1HB ARG 11 -10.141 -20.749 -6.681 79 HG2 ARG 11 2HG ARG 11 -7.749 -20.824 -6.183 80 HG3 ARG 11 1HG ARG 11 -8.101 -20.754 -4.458 81 HD2 ARG 11 2HD ARG 11 -9.101 -22.920 -6.294 82 HD3 ARG 11 1HD ARG 11 -7.615 -23.034 -5.344 83 HE ARG 11 HE ARG 11 -8.920 -22.805 -3.387 84 HH11 ARG 11 1HH1 ARG 11 -10.711 -23.744 -6.341 85 HH12 ARG 11 2HH1 ARG 11 -11.967 -24.509 -5.498 86 HH21 ARG 11 1HH2 ARG 11 -10.716 -23.962 -2.215 87 HH22 ARG 11 2HH2 ARG 11 -11.930 -24.696 -3.132 88 H ILE 12 H ILE 12 -9.564 -18.994 -8.260 89 HA ILE 12 HA ILE 12 -6.815 -18.867 -8.724 90 HB ILE 12 HB ILE 12 -8.959 -17.770 -10.570 91 HG12 ILE 12 2HG1 ILE 12 -9.504 -20.069 -9.982 92 HG13 ILE 12 1HG1 ILE 12 -8.929 -20.013 -11.644 93 HG21 ILE 12 1HG2 ILE 12 -7.363 -18.256 -12.389 94 HG22 ILE 12 2HG2 ILE 12 -6.177 -18.786 -11.199 95 HG23 ILE 12 3HG2 ILE 12 -6.684 -17.106 -11.233 96 HD11 ILE 12 1HD1 ILE 12 -8.046 -21.940 -10.499 97 HD12 ILE 12 2HD1 ILE 12 -7.379 -20.908 -9.233 98 HD13 ILE 12 3HD1 ILE 12 -6.738 -20.810 -10.874 99 H ALA 13 H ALA 13 -9.172 -16.256 -8.625 100 HA ALA 13 HA ALA 13 -7.403 -14.209 -9.270 101 HB1 ALA 13 1HB ALA 13 -9.104 -12.666 -8.440 102 HB2 ALA 13 2HB ALA 13 -9.911 -13.993 -7.604 103 HB3 ALA 13 3HB ALA 13 -9.848 -13.974 -9.364 104 H SER 14 H SER 14 -8.350 -15.437 -6.063 105 HA SER 14 HA SER 14 -6.729 -13.520 -4.711 106 HB2 SER 14 2HB SER 14 -7.186 -15.044 -2.695 107 HB3 SER 14 1HB SER 14 -8.597 -14.331 -3.478 108 HG SER 14 HG SER 14 -9.067 -16.254 -4.407 109 H LYS 15 H LYS 15 -6.318 -16.799 -5.751 110 HA LYS 15 HA LYS 15 -3.879 -17.584 -4.668 111 HB2 LYS 15 2HB LYS 15 -5.496 -18.929 -6.046 112 HB3 LYS 15 1HB LYS 15 -4.936 -18.063 -7.458 113 HG2 LYS 15 2HG LYS 15 -3.883 -20.160 -7.489 114 HG3 LYS 15 1HG LYS 15 -2.654 -19.002 -6.958 115 HD2 LYS 15 2HD LYS 15 -2.982 -19.647 -4.669 116 HD3 LYS 15 1HD LYS 15 -4.306 -20.715 -5.130 117 HE2 LYS 15 2HE LYS 15 -1.456 -21.000 -6.040 118 HE3 LYS 15 1HE LYS 15 -2.174 -21.887 -4.704 119 HZ1 LYS 15 1HZ LYS 15 -3.035 -22.043 -7.554 120 HZ2 LYS 15 2HZ LYS 15 -3.762 -22.861 -6.273 121 HZ3 LYS 15 3HZ LYS 15 -2.177 -23.213 -6.690 122 H ASN 16 H ASN 16 -4.622 -15.978 -7.725 123 HA ASN 16 HA ASN 16 -2.016 -15.657 -8.709 124 HB2 ASN 16 2HB ASN 16 -4.242 -15.455 -9.950 125 HB3 ASN 16 1HB ASN 16 -4.342 -13.832 -9.286 126 HD21 ASN 16 1HD2 ASN 16 -2.942 -15.854 -11.577 127 HD22 ASN 16 2HD2 ASN 16 -2.004 -14.688 -12.443 128 H GLN 17 H GLN 17 -4.134 -13.525 -6.860 129 HA GLN 17 HA GLN 17 -2.418 -11.278 -6.879 130 HB2 GLN 17 2HB GLN 17 -4.785 -11.023 -6.423 131 HB3 GLN 17 1HB GLN 17 -4.652 -12.040 -4.998 132 HG2 GLN 17 2HG GLN 17 -3.206 -10.341 -3.948 133 HG3 GLN 17 1HG GLN 17 -3.415 -9.318 -5.365 134 HE21 GLN 17 1HE2 GLN 17 -5.372 -8.292 -5.683 135 HE22 GLN 17 2HE2 GLN 17 -6.594 -8.215 -4.485 136 H LEU 18 H LEU 18 -2.937 -13.825 -4.471 137 HA LEU 18 HA LEU 18 -1.229 -12.778 -2.536 138 HB2 LEU 18 2HB LEU 18 -2.964 -14.547 -2.193 139 HB3 LEU 18 1HB LEU 18 -1.972 -15.673 -3.067 140 HG LEU 18 HG LEU 18 -2.041 -15.939 -0.556 141 HD11 LEU 18 1HD1 LEU 18 0.646 -15.580 -1.819 142 HD12 LEU 18 2HD1 LEU 18 -0.349 -17.043 -1.803 143 HD13 LEU 18 3HD1 LEU 18 0.325 -16.421 -0.303 144 HD21 LEU 18 1HD2 LEU 18 -0.608 -14.474 0.808 145 HD22 LEU 18 2HD2 LEU 18 -1.930 -13.574 0.078 146 HD23 LEU 18 3HD2 LEU 18 -0.309 -13.463 -0.598 147 H GLU 19 H GLU 19 -0.581 -14.971 -5.235 148 HA GLU 19 HA GLU 19 2.137 -15.380 -4.584 149 HB2 GLU 19 2HB GLU 19 0.864 -16.883 -6.097 150 HB3 GLU 19 1HB GLU 19 0.826 -15.606 -7.303 151 HG2 GLU 19 2HG GLU 19 3.223 -15.625 -7.443 152 HG3 GLU 19 1HG GLU 19 3.320 -16.860 -6.196 153 H SER 20 H SER 20 0.573 -13.165 -6.915 154 HA SER 20 HA SER 20 2.992 -12.085 -7.852 155 HB2 SER 20 2HB SER 20 1.546 -10.214 -8.773 156 HB3 SER 20 1HB SER 20 1.089 -11.837 -9.273 157 HG SER 20 HG SER 20 -0.621 -11.791 -7.955 158 H ILE 21 H ILE 21 0.903 -11.060 -5.192 159 HA ILE 21 HA ILE 21 2.244 -8.653 -4.705 160 HB ILE 21 HB ILE 21 0.566 -10.412 -2.900 161 HG12 ILE 21 2HG1 ILE 21 -0.662 -9.341 -4.721 162 HG13 ILE 21 1HG1 ILE 21 -1.139 -8.659 -3.175 163 HG21 ILE 21 1HG2 ILE 21 1.648 -7.689 -2.265 164 HG22 ILE 21 2HG2 ILE 21 2.107 -9.210 -1.497 165 HG23 ILE 21 3HG2 ILE 21 0.467 -8.578 -1.290 166 HD11 ILE 21 1HD1 ILE 21 0.695 -7.390 -5.210 167 HD12 ILE 21 2HD1 ILE 21 0.305 -6.710 -3.632 168 HD13 ILE 21 3HD1 ILE 21 -0.964 -6.921 -4.837 169 H ALA 22 H ALA 22 2.815 -11.943 -3.514 170 HA ALA 22 HA ALA 22 4.837 -11.311 -1.676 171 HB1 ALA 22 1HB ALA 22 4.545 -13.827 -3.330 172 HB2 ALA 22 2HB ALA 22 3.765 -13.527 -1.778 173 HB3 ALA 22 3HB ALA 22 5.521 -13.660 -1.872 174 H TYR 23 H TYR 23 5.001 -12.052 -5.124 175 HA TYR 23 HA TYR 23 7.816 -11.760 -5.318 176 HB2 TYR 23 2HB TYR 23 5.653 -11.716 -7.392 177 HB3 TYR 23 1HB TYR 23 7.328 -11.379 -7.808 178 HD1 TYR 23 1HD TYR 23 9.056 -13.135 -7.280 179 HD2 TYR 23 2HD TYR 23 4.886 -13.916 -7.199 180 HE1 TYR 23 1HE TYR 23 9.511 -15.537 -7.528 181 HE2 TYR 23 2HE TYR 23 5.325 -16.323 -7.433 182 HH TYR 23 HH TYR 23 6.988 -17.780 -8.193 183 H SER 24 H SER 24 5.160 -9.511 -5.826 184 HA SER 24 HA SER 24 6.647 -7.384 -6.837 185 HB2 SER 24 2HB SER 24 4.153 -7.515 -6.857 186 HB3 SER 24 1HB SER 24 4.150 -7.266 -5.116 187 HG SER 24 HG SER 24 4.628 -5.477 -7.189 188 H LEU 25 H LEU 25 5.961 -8.386 -3.534 189 HA LEU 25 HA LEU 25 7.042 -6.232 -2.120 190 HB2 LEU 25 2HB LEU 25 5.694 -8.153 -1.211 191 HB3 LEU 25 1HB LEU 25 7.114 -9.160 -1.432 192 HG LEU 25 HG LEU 25 8.318 -7.919 0.267 193 HD11 LEU 25 1HD1 LEU 25 5.776 -6.305 0.526 194 HD12 LEU 25 2HD1 LEU 25 7.322 -5.712 -0.085 195 HD13 LEU 25 3HD1 LEU 25 7.169 -6.204 1.598 196 HD21 LEU 25 1HD2 LEU 25 6.940 -9.812 0.952 197 HD22 LEU 25 2HD2 LEU 25 5.558 -8.737 1.161 198 HD23 LEU 25 3HD2 LEU 25 6.968 -8.569 2.202 199 H LYS 26 H LYS 26 8.540 -9.304 -3.063 200 HA LYS 26 HA LYS 26 11.141 -8.750 -2.181 201 HB2 LYS 26 2HB LYS 26 10.148 -10.518 -4.402 202 HB3 LYS 26 1HB LYS 26 11.835 -10.436 -3.932 203 HG2 LYS 26 2HG LYS 26 11.267 -11.303 -1.696 204 HG3 LYS 26 1HG LYS 26 9.568 -11.256 -2.142 205 HD2 LYS 26 2HD LYS 26 9.745 -12.993 -3.655 206 HD3 LYS 26 1HD LYS 26 11.480 -12.766 -3.871 207 HE2 LYS 26 2HE LYS 26 10.216 -13.745 -1.323 208 HE3 LYS 26 1HE LYS 26 10.833 -14.807 -2.585 209 HZ1 LYS 26 1HZ LYS 26 12.501 -14.324 -0.736 210 HZ2 LYS 26 2HZ LYS 26 12.571 -12.740 -1.327 211 HZ3 LYS 26 3HZ LYS 26 12.993 -13.996 -2.292 212 H ASN 27 H ASN 27 9.683 -8.292 -5.357 213 HA ASN 27 HA ASN 27 11.929 -7.309 -6.693 214 HB2 ASN 27 2HB ASN 27 8.996 -7.026 -7.208 215 HB3 ASN 27 1HB ASN 27 10.144 -6.085 -8.149 216 HD21 ASN 27 1HD2 ASN 27 8.958 -9.278 -7.452 217 HD22 ASN 27 2HD2 ASN 27 9.714 -10.033 -8.816 218 H THR 28 H THR 28 9.440 -5.541 -4.907 219 HA THR 28 HA THR 28 10.289 -3.006 -5.703 220 HB THR 28 HB THR 28 8.860 -3.759 -3.144 221 HG1 THR 28 1HG THR 28 7.753 -4.460 -4.981 222 HG21 THR 28 1HG2 THR 28 7.985 -1.446 -3.233 223 HG22 THR 28 2HG2 THR 28 8.989 -1.126 -4.648 224 HG23 THR 28 3HG2 THR 28 9.742 -1.459 -3.090 225 H ILE 29 H ILE 29 11.239 -4.946 -2.870 226 HA ILE 29 HA ILE 29 12.933 -2.856 -1.933 227 HB ILE 29 HB ILE 29 12.795 -5.782 -1.037 228 HG12 ILE 29 2HG1 ILE 29 12.030 -4.733 1.111 229 HG13 ILE 29 1HG1 ILE 29 12.041 -3.179 0.309 230 HG21 ILE 29 1HG2 ILE 29 15.076 -5.109 -0.790 231 HG22 ILE 29 2HG2 ILE 29 14.287 -5.199 0.792 232 HG23 ILE 29 3HG2 ILE 29 14.579 -3.633 0.041 233 HD11 ILE 29 1HD1 ILE 29 10.263 -3.941 -1.172 234 HD12 ILE 29 2HD1 ILE 29 9.804 -4.051 0.529 235 HD13 ILE 29 3HD1 ILE 29 10.259 -5.503 -0.355 236 H SER 30 H SER 30 13.406 -5.616 -3.987 237 HA SER 30 HA SER 30 16.207 -5.668 -4.032 238 HB2 SER 30 2HB SER 30 14.245 -6.472 -6.183 239 HB3 SER 30 1HB SER 30 15.952 -6.919 -6.123 240 HG SER 30 HG SER 30 13.909 -7.628 -4.285 241 H GLU 31 H GLU 31 13.900 -3.923 -6.125 242 HA GLU 31 HA GLU 31 16.148 -2.810 -7.517 243 HB2 GLU 31 2HB GLU 31 14.465 -1.661 -8.953 244 HB3 GLU 31 1HB GLU 31 14.343 -3.407 -8.924 245 HG2 GLU 31 2HG GLU 31 12.474 -3.159 -7.286 246 HG3 GLU 31 1HG GLU 31 12.536 -1.420 -7.580 247 H ALA 32 H ALA 32 14.153 -1.849 -4.924 248 HA ALA 32 HA ALA 32 14.768 0.927 -5.034 249 HB1 ALA 32 1HB ALA 32 14.044 1.005 -2.716 250 HB2 ALA 32 2HB ALA 32 14.153 -0.750 -2.602 251 HB3 ALA 32 3HB ALA 32 12.934 -0.011 -3.639 252 H GLY 33 H GLY 33 16.136 -1.808 -3.249 253 HA2 GLY 33 2HA GLY 33 18.249 -2.244 -2.556 254 HA3 GLY 33 1HA GLY 33 18.794 -0.923 -3.576 255 H ASP 34 H ASP 34 19.325 0.930 -2.708 256 HA ASP 34 HA ASP 34 20.247 1.047 -0.064 257 HB2 ASP 34 2HB ASP 34 20.827 3.359 -0.547 258 HB3 ASP 34 1HB ASP 34 21.287 2.272 -1.864 259 H LYS 35 H LYS 35 17.250 1.847 -1.282 260 HA LYS 35 HA LYS 35 16.483 3.854 0.586 261 HB2 LYS 35 2HB LYS 35 14.761 2.069 -1.136 262 HB3 LYS 35 1HB LYS 35 14.078 3.253 -0.045 263 HG2 LYS 35 2HG LYS 35 14.116 4.163 -2.276 264 HG3 LYS 35 1HG LYS 35 15.277 5.038 -1.283 265 HD2 LYS 35 2HD LYS 35 17.073 3.610 -2.212 266 HD3 LYS 35 1HD LYS 35 15.886 2.858 -3.272 267 HE2 LYS 35 2HE LYS 35 15.470 4.948 -4.357 268 HE3 LYS 35 1HE LYS 35 16.530 5.792 -3.221 269 HZ1 LYS 35 1HZ LYS 35 17.752 5.398 -5.219 270 HZ2 LYS 35 2HZ LYS 35 17.338 3.765 -5.242 271 HZ3 LYS 35 3HZ LYS 35 18.359 4.334 -4.057 272 H LEU 36 H LEU 36 16.722 0.418 0.931 273 HA LEU 36 HA LEU 36 15.267 0.724 3.446 274 HB2 LEU 36 2HB LEU 36 14.010 -0.514 1.697 275 HB3 LEU 36 1HB LEU 36 15.260 -1.739 1.736 276 HG LEU 36 HG LEU 36 14.767 -2.044 4.164 277 HD11 LEU 36 1HD1 LEU 36 13.699 0.089 4.603 278 HD12 LEU 36 2HD1 LEU 36 12.610 -1.234 4.997 279 HD13 LEU 36 3HD1 LEU 36 12.383 -0.323 3.503 280 HD21 LEU 36 1HD2 LEU 36 12.491 -2.538 2.269 281 HD22 LEU 36 2HD2 LEU 36 12.791 -3.386 3.789 282 HD23 LEU 36 3HD2 LEU 36 13.921 -3.551 2.446 283 H GLU 37 H GLU 37 15.943 -0.623 5.121 284 HA GLU 37 HA GLU 37 18.768 -1.097 5.179 285 HB2 GLU 37 2HB GLU 37 16.597 -1.373 7.242 286 HB3 GLU 37 1HB GLU 37 18.313 -1.594 7.557 287 HG2 GLU 37 2HG GLU 37 18.770 0.683 7.033 288 HG3 GLU 37 1HG GLU 37 17.117 0.940 6.488 289 H GLN 38 H GLN 38 19.593 -3.066 6.102 290 HA GLN 38 HA GLN 38 19.004 -5.289 4.512 291 HB2 GLN 38 2HB GLN 38 21.208 -4.579 5.561 292 HB3 GLN 38 1HB GLN 38 20.616 -5.212 7.073 293 HG2 GLN 38 2HG GLN 38 20.961 -6.900 4.604 294 HG3 GLN 38 1HG GLN 38 22.240 -6.642 5.776 295 HE21 GLN 38 1HE2 GLN 38 19.322 -8.325 5.052 296 HE22 GLN 38 2HE2 GLN 38 19.360 -9.344 6.432 297 H ALA 39 H ALA 39 18.428 -4.737 7.981 298 HA ALA 39 HA ALA 39 17.276 -7.230 8.541 299 HB1 ALA 39 1HB ALA 39 16.745 -4.610 9.938 300 HB2 ALA 39 2HB ALA 39 18.095 -5.693 10.278 301 HB3 ALA 39 3HB ALA 39 16.443 -6.221 10.592 302 H ASP 40 H ASP 40 15.784 -4.205 7.550 303 HA ASP 40 HA ASP 40 13.078 -5.093 7.738 304 HB2 ASP 40 2HB ASP 40 14.283 -2.918 6.013 305 HB3 ASP 40 1HB ASP 40 12.561 -3.184 6.232 306 H LYS 41 H LYS 41 15.404 -4.951 5.096 307 HA LYS 41 HA LYS 41 13.941 -5.919 2.936 308 HB2 LYS 41 2HB LYS 41 16.205 -5.112 2.698 309 HB3 LYS 41 1HB LYS 41 16.824 -6.396 3.718 310 HG2 LYS 41 2HG LYS 41 15.937 -8.000 1.916 311 HG3 LYS 41 1HG LYS 41 15.806 -6.578 0.889 312 HD2 LYS 41 2HD LYS 41 18.338 -7.434 2.312 313 HD3 LYS 41 1HD LYS 41 17.974 -7.813 0.633 314 HE2 LYS 41 2HE LYS 41 18.069 -4.989 1.671 315 HE3 LYS 41 1HE LYS 41 19.507 -5.823 1.090 316 HZ1 LYS 41 1HZ LYS 41 18.435 -6.124 -1.011 317 HZ2 LYS 41 2HZ LYS 41 18.543 -4.501 -0.633 318 HZ3 LYS 41 3HZ LYS 41 17.045 -5.318 -0.513 319 H ASP 42 H ASP 42 15.727 -7.666 5.411 320 HA ASP 42 HA ASP 42 15.240 -10.292 4.512 321 HB2 ASP 42 2HB ASP 42 16.987 -9.857 6.109 322 HB3 ASP 42 1HB ASP 42 15.834 -9.201 7.260 323 H THR 43 H THR 43 13.463 -8.364 6.913 324 HA THR 43 HA THR 43 11.707 -10.362 7.681 325 HB THR 43 HB THR 43 11.166 -7.385 7.553 326 HG1 THR 43 1HG THR 43 12.321 -9.023 9.567 327 HG21 THR 43 1HG2 THR 43 9.151 -8.738 8.041 328 HG22 THR 43 2HG2 THR 43 9.669 -7.828 9.463 329 HG23 THR 43 3HG2 THR 43 10.021 -9.551 9.342 330 H VAL 44 H VAL 44 11.283 -7.922 5.104 331 HA VAL 44 HA VAL 44 8.707 -8.891 4.454 332 HB VAL 44 HB VAL 44 9.032 -7.654 2.273 333 HG11 VAL 44 1HG1 VAL 44 8.625 -5.469 3.438 334 HG12 VAL 44 2HG1 VAL 44 9.200 -6.207 4.934 335 HG13 VAL 44 3HG1 VAL 44 7.726 -6.798 4.170 336 HG21 VAL 44 1HG2 VAL 44 11.429 -6.580 3.761 337 HG22 VAL 44 2HG2 VAL 44 10.731 -5.866 2.309 338 HG23 VAL 44 3HG2 VAL 44 11.440 -7.480 2.243 339 H THR 45 H THR 45 11.779 -9.380 2.795 340 HA THR 45 HA THR 45 10.679 -10.988 0.798 341 HB THR 45 HB THR 45 12.915 -11.803 0.417 342 HG1 THR 45 1HG THR 45 13.814 -10.019 2.475 343 HG21 THR 45 1HG2 THR 45 13.925 -9.616 -0.202 344 HG22 THR 45 2HG2 THR 45 12.692 -8.814 0.777 345 HG23 THR 45 3HG2 THR 45 12.223 -9.756 -0.643 346 H LYS 46 H LYS 46 12.061 -11.798 3.896 347 HA LYS 46 HA LYS 46 11.851 -14.596 3.742 348 HB2 LYS 46 2HB LYS 46 13.152 -13.510 5.517 349 HB3 LYS 46 1HB LYS 46 11.713 -12.766 6.162 350 HG2 LYS 46 2HG LYS 46 12.050 -15.754 6.140 351 HG3 LYS 46 1HG LYS 46 12.767 -14.763 7.398 352 HD2 LYS 46 2HD LYS 46 10.509 -13.865 7.926 353 HD3 LYS 46 1HD LYS 46 9.831 -14.947 6.708 354 HE2 LYS 46 2HE LYS 46 10.626 -16.871 7.948 355 HE3 LYS 46 1HE LYS 46 11.386 -15.822 9.138 356 HZ1 LYS 46 1HZ LYS 46 8.464 -16.092 8.613 357 HZ2 LYS 46 2HZ LYS 46 9.143 -14.949 9.647 358 HZ3 LYS 46 3HZ LYS 46 9.305 -16.589 9.979 359 H LYS 47 H LYS 47 9.504 -12.168 4.864 360 HA LYS 47 HA LYS 47 7.448 -13.969 5.455 361 HB2 LYS 47 2HB LYS 47 7.688 -11.105 5.157 362 HB3 LYS 47 1HB LYS 47 6.201 -11.669 4.417 363 HG2 LYS 47 2HG LYS 47 7.065 -12.155 7.264 364 HG3 LYS 47 1HG LYS 47 5.845 -11.000 6.730 365 HD2 LYS 47 2HD LYS 47 4.494 -12.882 5.836 366 HD3 LYS 47 1HD LYS 47 5.694 -14.018 6.446 367 HE2 LYS 47 2HE LYS 47 5.310 -13.031 8.722 368 HE3 LYS 47 1HE LYS 47 3.965 -12.139 8.008 369 HZ1 LYS 47 1HZ LYS 47 2.784 -14.208 7.580 370 HZ2 LYS 47 2HZ LYS 47 3.371 -14.292 9.143 371 HZ3 LYS 47 3HZ LYS 47 4.181 -15.097 7.915 372 H ALA 48 H ALA 48 8.403 -12.428 2.489 373 HA ALA 48 HA ALA 48 6.237 -13.295 0.888 374 HB1 ALA 48 1HB ALA 48 9.080 -12.630 0.080 375 HB2 ALA 48 2HB ALA 48 7.740 -11.494 0.162 376 HB3 ALA 48 3HB ALA 48 7.721 -12.794 -1.029 377 H GLU 49 H GLU 49 9.408 -14.743 1.474 378 HA GLU 49 HA GLU 49 8.959 -16.990 -0.174 379 HB2 GLU 49 2HB GLU 49 10.872 -16.470 2.087 380 HB3 GLU 49 1HB GLU 49 10.829 -18.022 1.250 381 HG2 GLU 49 2HG GLU 49 11.462 -17.075 -0.785 382 HG3 GLU 49 1HG GLU 49 11.070 -15.452 -0.232 383 H GLU 50 H GLU 50 8.203 -16.365 3.241 384 HA GLU 50 HA GLU 50 7.424 -18.893 3.969 385 HB2 GLU 50 2HB GLU 50 7.966 -16.835 5.327 386 HB3 GLU 50 1HB GLU 50 6.408 -16.208 4.824 387 HG2 GLU 50 2HG GLU 50 5.390 -18.171 5.703 388 HG3 GLU 50 1HG GLU 50 6.997 -18.639 6.317 389 H THR 51 H THR 51 5.869 -16.136 2.467 390 HA THR 51 HA THR 51 3.269 -17.091 2.529 391 HB THR 51 HB THR 51 4.546 -14.961 0.827 392 HG1 THR 51 1HG THR 51 4.638 -14.437 2.982 393 HG21 THR 51 1HG2 THR 51 2.422 -15.667 -0.159 394 HG22 THR 51 2HG2 THR 51 2.278 -14.059 0.554 395 HG23 THR 51 3HG2 THR 51 1.625 -15.462 1.400 396 H ILE 52 H ILE 52 5.764 -17.102 0.037 397 HA ILE 52 HA ILE 52 4.263 -18.396 -1.977 398 HB ILE 52 HB ILE 52 7.284 -18.346 -1.566 399 HG12 ILE 52 2HG1 ILE 52 5.515 -16.701 -3.399 400 HG13 ILE 52 1HG1 ILE 52 6.222 -16.130 -1.892 401 HG21 ILE 52 1HG2 ILE 52 7.450 -18.968 -3.941 402 HG22 ILE 52 2HG2 ILE 52 5.698 -19.157 -4.008 403 HG23 ILE 52 3HG2 ILE 52 6.664 -20.226 -2.985 404 HD11 ILE 52 1HD1 ILE 52 8.457 -16.411 -2.843 405 HD12 ILE 52 2HD1 ILE 52 7.467 -15.329 -3.819 406 HD13 ILE 52 3HD1 ILE 52 7.744 -16.989 -4.347 407 H SER 53 H SER 53 6.404 -19.617 0.567 408 HA SER 53 HA SER 53 6.237 -22.340 0.030 409 HB2 SER 53 2HB SER 53 7.835 -21.419 1.636 410 HB3 SER 53 1HB SER 53 6.520 -20.865 2.661 411 HG SER 53 HG SER 53 7.157 -23.560 2.046 412 H TRP 54 H TRP 54 4.114 -20.194 1.885 413 HA TRP 54 HA TRP 54 2.386 -22.171 2.863 414 HB2 TRP 54 2HB TRP 54 2.384 -19.799 3.704 415 HB3 TRP 54 1HB TRP 54 1.638 -19.303 2.192 416 HD1 TRP 54 HD TRP 54 0.863 -21.224 5.410 417 HE1 TRP 54 1HE TRP 54 -1.681 -21.529 5.615 418 HE3 TRP 54 3HE TRP 54 -0.575 -19.378 0.861 419 HZ2 TRP 54 2HZ TRP 54 -3.996 -21.063 4.066 420 HZ3 TRP 54 3HZ TRP 54 -2.970 -19.347 0.317 421 HH2 TRP 54 HH TRP 54 -4.635 -20.167 1.885 422 H LEU 55 H LEU 55 2.149 -20.095 0.010 423 HA LEU 55 HA LEU 55 -0.201 -21.201 -1.016 424 HB2 LEU 55 2HB LEU 55 0.618 -19.024 -1.719 425 HB3 LEU 55 1HB LEU 55 2.059 -19.736 -2.394 426 HG LEU 55 HG LEU 55 -0.626 -20.453 -3.565 427 HD11 LEU 55 1HD1 LEU 55 0.992 -17.973 -4.148 428 HD12 LEU 55 2HD1 LEU 55 -0.652 -18.028 -3.491 429 HD13 LEU 55 3HD1 LEU 55 -0.339 -18.570 -5.132 430 HD21 LEU 55 1HD2 LEU 55 0.688 -20.662 -5.614 431 HD22 LEU 55 2HD2 LEU 55 1.381 -21.654 -4.332 432 HD23 LEU 55 3HD2 LEU 55 2.129 -20.113 -4.761 433 H ASP 56 H ASP 56 3.073 -22.281 -1.204 434 HA ASP 56 HA ASP 56 2.776 -24.076 -3.385 435 HB2 ASP 56 2HB ASP 56 4.987 -23.293 -2.675 436 HB3 ASP 56 1HB ASP 56 4.757 -24.043 -1.105 437 H SER 57 H SER 57 2.539 -24.310 0.066 438 HA SER 57 HA SER 57 2.149 -27.134 -0.011 439 HB2 SER 57 2HB SER 57 1.892 -25.247 2.327 440 HB3 SER 57 1HB SER 57 2.120 -26.994 2.392 441 HG SER 57 HG SER 57 3.965 -25.059 1.401 442 H ASN 58 H ASN 58 0.228 -24.382 -0.274 443 HA ASN 58 HA ASN 58 -2.239 -25.814 0.428 444 HB2 ASN 58 2HB ASN 58 -1.512 -22.941 1.027 445 HB3 ASN 58 1HB ASN 58 -3.153 -23.546 1.128 446 HD21 ASN 58 1HD2 ASN 58 -0.037 -23.513 2.537 447 HD22 ASN 58 2HD2 ASN 58 -0.464 -24.246 4.053 448 H THR 59 H THR 59 -1.059 -25.697 -2.101 449 HA THR 59 HA THR 59 -1.989 -23.539 -3.610 450 HB THR 59 HB THR 59 -0.116 -24.965 -4.386 451 HG1 THR 59 1HG THR 59 -0.584 -24.851 -6.508 452 HG21 THR 59 1HG2 THR 59 -0.560 -27.139 -5.464 453 HG22 THR 59 2HG2 THR 59 -2.241 -27.046 -4.933 454 HG23 THR 59 3HG2 THR 59 -0.944 -27.160 -3.744 455 H THR 60 H THR 60 -3.591 -26.377 -2.498 456 HA THR 60 HA THR 60 -5.871 -25.857 -4.245 457 HB THR 60 HB THR 60 -4.991 -28.210 -4.080 458 HG1 THR 60 1HG THR 60 -7.633 -27.629 -3.240 459 HG21 THR 60 1HG2 THR 60 -6.172 -28.052 -1.338 460 HG22 THR 60 2HG2 THR 60 -4.455 -28.059 -1.697 461 HG23 THR 60 3HG2 THR 60 -5.438 -29.498 -2.073 462 H ALA 61 H ALA 61 -5.014 -24.280 -1.729 463 HA ALA 61 HA ALA 61 -7.205 -24.736 0.086 464 HB1 ALA 61 1HB ALA 61 -6.340 -22.762 1.295 465 HB2 ALA 61 2HB ALA 61 -5.152 -22.509 0.016 466 HB3 ALA 61 3HB ALA 61 -5.105 -23.972 1.001 467 H SER 62 H SER 62 -8.653 -22.806 0.694 468 HA SER 62 HA SER 62 -9.813 -21.955 -1.810 469 HB2 SER 62 2HB SER 62 -10.920 -21.905 0.991 470 HB3 SER 62 1HB SER 62 -11.813 -21.506 -0.480 471 HG SER 62 HG SER 62 -11.403 -23.879 0.588 472 H LYS 63 H LYS 63 -11.001 -19.825 -1.736 473 HA LYS 63 HA LYS 63 -9.144 -17.779 -1.803 474 HB2 LYS 63 2HB LYS 63 -11.092 -16.289 -2.197 475 HB3 LYS 63 1HB LYS 63 -11.041 -17.707 -3.233 476 HG2 LYS 63 2HG LYS 63 -12.715 -18.778 -1.724 477 HG3 LYS 63 1HG LYS 63 -12.816 -17.258 -0.843 478 HD2 LYS 63 2HD LYS 63 -13.550 -16.111 -2.858 479 HD3 LYS 63 1HD LYS 63 -13.378 -17.602 -3.778 480 HE2 LYS 63 2HE LYS 63 -15.701 -17.284 -3.284 481 HE3 LYS 63 1HE LYS 63 -15.114 -18.634 -2.323 482 HZ1 LYS 63 1HZ LYS 63 -14.971 -17.134 -0.403 483 HZ2 LYS 63 2HZ LYS 63 -16.538 -17.180 -1.045 484 HZ3 LYS 63 3HZ LYS 63 -15.548 -15.863 -1.349 485 H GLU 64 H GLU 64 -11.277 -18.662 0.817 486 HA GLU 64 HA GLU 64 -11.121 -16.246 2.252 487 HB2 GLU 64 2HB GLU 64 -11.660 -19.052 3.146 488 HB3 GLU 64 1HB GLU 64 -11.572 -17.738 4.308 489 HG2 GLU 64 2HG GLU 64 -13.865 -18.251 3.759 490 HG3 GLU 64 1HG GLU 64 -13.449 -16.646 3.179 491 H GLU 65 H GLU 65 -9.176 -19.158 2.596 492 HA GLU 65 HA GLU 65 -7.519 -17.881 4.477 493 HB2 GLU 65 2HB GLU 65 -5.929 -19.886 4.066 494 HB3 GLU 65 1HB GLU 65 -7.474 -20.164 4.834 495 HG2 GLU 65 2HG GLU 65 -7.147 -20.558 1.881 496 HG3 GLU 65 1HG GLU 65 -6.622 -21.783 3.035 497 H PHE 66 H PHE 66 -7.275 -18.187 0.991 498 HA PHE 66 HA PHE 66 -4.681 -17.061 0.850 499 HB2 PHE 66 2HB PHE 66 -6.909 -17.231 -1.167 500 HB3 PHE 66 1HB PHE 66 -5.483 -16.260 -1.514 501 HD1 PHE 66 1HD PHE 66 -6.838 -19.620 -1.301 502 HD2 PHE 66 2HD PHE 66 -3.265 -17.327 -1.613 503 HE1 PHE 66 1HE PHE 66 -5.611 -21.618 -1.993 504 HE2 PHE 66 2HE PHE 66 -2.039 -19.330 -2.299 505 HZ PHE 66 HZ PHE 66 -3.209 -21.481 -2.492 506 H ASP 67 H ASP 67 -7.848 -15.626 1.078 507 HA ASP 67 HA ASP 67 -7.056 -12.934 0.811 508 HB2 ASP 67 2HB ASP 67 -9.387 -13.497 0.637 509 HB3 ASP 67 1HB ASP 67 -9.384 -14.211 2.245 510 H ASP 68 H ASP 68 -7.244 -15.107 3.561 511 HA ASP 68 HA ASP 68 -6.729 -13.114 5.521 512 HB2 ASP 68 2HB ASP 68 -7.774 -15.362 5.983 513 HB3 ASP 68 1HB ASP 68 -6.152 -16.043 5.823 514 H LYS 69 H LYS 69 -4.638 -15.433 3.877 515 HA LYS 69 HA LYS 69 -2.319 -14.704 5.301 516 HB2 LYS 69 2HB LYS 69 -2.525 -15.928 2.550 517 HB3 LYS 69 1HB LYS 69 -1.058 -15.846 3.510 518 HG2 LYS 69 2HG LYS 69 -3.572 -17.343 4.235 519 HG3 LYS 69 1HG LYS 69 -2.085 -18.054 3.623 520 HD2 LYS 69 2HD LYS 69 -2.326 -16.532 6.228 521 HD3 LYS 69 1HD LYS 69 -2.372 -18.284 6.080 522 HE2 LYS 69 2HE LYS 69 -0.104 -18.267 5.156 523 HE3 LYS 69 1HE LYS 69 -0.062 -16.509 5.284 524 HZ1 LYS 69 1HZ LYS 69 1.060 -17.601 7.131 525 HZ2 LYS 69 2HZ LYS 69 -0.383 -18.361 7.588 526 HZ3 LYS 69 3HZ LYS 69 -0.250 -16.678 7.652 527 H LEU 70 H LEU 70 -3.860 -13.389 2.503 528 HA LEU 70 HA LEU 70 -1.761 -11.684 1.695 529 HB2 LEU 70 2HB LEU 70 -3.819 -12.341 0.354 530 HB3 LEU 70 1HB LEU 70 -4.751 -11.274 1.364 531 HG LEU 70 HG LEU 70 -4.248 -10.380 -0.910 532 HD11 LEU 70 1HD1 LEU 70 -4.796 -8.812 0.825 533 HD12 LEU 70 2HD1 LEU 70 -3.570 -8.139 -0.248 534 HD13 LEU 70 3HD1 LEU 70 -3.113 -8.757 1.340 535 HD21 LEU 70 1HD2 LEU 70 -2.015 -9.560 -1.417 536 HD22 LEU 70 2HD2 LEU 70 -2.027 -11.312 -1.198 537 HD23 LEU 70 3HD2 LEU 70 -1.408 -10.264 0.080 538 H LYS 71 H LYS 71 -4.429 -11.379 3.990 539 HA LYS 71 HA LYS 71 -4.061 -8.650 4.580 540 HB2 LYS 71 2HB LYS 71 -5.355 -10.831 6.204 541 HB3 LYS 71 1HB LYS 71 -5.361 -9.145 6.703 542 HG2 LYS 71 2HG LYS 71 -6.518 -8.580 4.581 543 HG3 LYS 71 1HG LYS 71 -6.586 -10.296 4.207 544 HD2 LYS 71 2HD LYS 71 -7.851 -9.045 6.659 545 HD3 LYS 71 1HD LYS 71 -8.708 -9.301 5.149 546 HE2 LYS 71 2HE LYS 71 -9.319 -11.109 6.517 547 HE3 LYS 71 1HE LYS 71 -8.125 -11.772 5.418 548 HZ1 LYS 71 1HZ LYS 71 -6.465 -11.504 7.301 549 HZ2 LYS 71 2HZ LYS 71 -7.695 -12.560 7.662 550 HZ3 LYS 71 3HZ LYS 71 -7.745 -11.001 8.258 551 H GLU 72 H GLU 72 -2.785 -11.542 6.238 552 HA GLU 72 HA GLU 72 -1.410 -10.004 8.182 553 HB2 GLU 72 2HB GLU 72 -0.085 -12.034 8.688 554 HB3 GLU 72 1HB GLU 72 -1.811 -12.347 8.672 555 HG2 GLU 72 2HG GLU 72 -1.702 -13.507 6.686 556 HG3 GLU 72 1HG GLU 72 -0.118 -12.855 6.269 557 H LEU 73 H LEU 73 -0.436 -11.248 5.011 558 HA LEU 73 HA LEU 73 2.258 -10.634 5.154 559 HB2 LEU 73 2HB LEU 73 1.091 -12.035 3.388 560 HB3 LEU 73 1HB LEU 73 0.439 -10.577 2.715 561 HG LEU 73 HG LEU 73 2.380 -11.608 1.483 562 HD11 LEU 73 1HD1 LEU 73 2.751 -8.772 2.412 563 HD12 LEU 73 2HD1 LEU 73 1.729 -9.302 1.077 564 HD13 LEU 73 3HD1 LEU 73 3.480 -9.489 0.971 565 HD21 LEU 73 1HD2 LEU 73 3.936 -10.530 3.817 566 HD22 LEU 73 2HD2 LEU 73 4.630 -11.205 2.334 567 HD23 LEU 73 3HD2 LEU 73 3.694 -12.232 3.428 568 H GLN 74 H GLN 74 -0.493 -8.726 4.058 569 HA GLN 74 HA GLN 74 0.967 -6.404 3.411 570 HB2 GLN 74 2HB GLN 74 -1.931 -6.853 4.019 571 HB3 GLN 74 1HB GLN 74 -1.286 -5.281 3.569 572 HG2 GLN 74 2HG GLN 74 -1.101 -7.779 1.907 573 HG3 GLN 74 1HG GLN 74 -2.289 -6.494 1.682 574 HE21 GLN 74 1HE2 GLN 74 1.044 -7.410 1.326 575 HE22 GLN 74 2HE2 GLN 74 1.491 -6.067 0.334 576 H ASP 75 H ASP 75 -0.367 -7.560 6.397 577 HA ASP 75 HA ASP 75 -0.252 -5.052 7.766 578 HB2 ASP 75 2HB ASP 75 -1.768 -6.872 8.478 579 HB3 ASP 75 1HB ASP 75 -0.367 -7.840 8.914 580 H ILE 76 H ILE 76 1.719 -7.980 7.879 581 HA ILE 76 HA ILE 76 3.590 -6.950 9.740 582 HB ILE 76 HB ILE 76 3.877 -9.269 7.803 583 HG12 ILE 76 2HG1 ILE 76 2.006 -9.600 9.340 584 HG13 ILE 76 1HG1 ILE 76 3.313 -10.700 9.738 585 HG21 ILE 76 1HG2 ILE 76 5.664 -10.103 9.267 586 HG22 ILE 76 2HG2 ILE 76 5.548 -8.633 10.231 587 HG23 ILE 76 3HG2 ILE 76 6.072 -8.542 8.551 588 HD11 ILE 76 1HD1 ILE 76 3.959 -9.234 11.601 589 HD12 ILE 76 2HD1 ILE 76 2.298 -9.806 11.743 590 HD13 ILE 76 3HD1 ILE 76 2.618 -8.158 11.202 591 H ALA 77 H ALA 77 3.496 -6.967 6.233 592 HA ALA 77 HA ALA 77 6.194 -5.998 6.007 593 HB1 ALA 77 1HB ALA 77 5.748 -5.933 3.607 594 HB2 ALA 77 2HB ALA 77 4.035 -6.231 3.921 595 HB3 ALA 77 3HB ALA 77 5.226 -7.467 4.316 596 H ASN 78 H ASN 78 3.244 -4.582 6.708 597 HA ASN 78 HA ASN 78 3.209 -2.239 5.242 598 HB2 ASN 78 2HB ASN 78 1.244 -2.828 6.466 599 HB3 ASN 78 1HB ASN 78 2.078 -2.745 8.004 600 HD21 ASN 78 1HD2 ASN 78 0.583 -0.934 5.460 601 HD22 ASN 78 2HD2 ASN 78 0.553 0.579 6.293 602 HA PRO 79 HA PRO 79 5.614 0.226 8.691 603 HB2 PRO 79 2HB PRO 79 7.331 -1.922 9.815 604 HB3 PRO 79 1HB PRO 79 6.551 -0.572 10.647 605 HG2 PRO 79 2HG PRO 79 5.603 -3.030 10.937 606 HG3 PRO 79 1HG PRO 79 4.494 -1.655 10.754 607 HD2 PRO 79 2HD PRO 79 5.346 -3.685 8.722 608 HD3 PRO 79 1HD PRO 79 3.726 -3.038 9.049 609 H ILE 80 H ILE 80 7.126 -2.601 7.257 610 HA ILE 80 HA ILE 80 9.595 -1.337 6.681 611 HB ILE 80 HB ILE 80 8.348 -3.846 5.517 612 HG12 ILE 80 2HG1 ILE 80 10.334 -4.956 6.666 613 HG13 ILE 80 1HG1 ILE 80 10.638 -3.422 7.452 614 HG21 ILE 80 1HG2 ILE 80 9.694 -2.930 3.777 615 HG22 ILE 80 2HG2 ILE 80 10.534 -4.323 4.462 616 HG23 ILE 80 3HG2 ILE 80 11.039 -2.688 4.883 617 HD11 ILE 80 1HD1 ILE 80 8.469 -3.568 8.557 618 HD12 ILE 80 2HD1 ILE 80 9.508 -4.957 8.900 619 HD13 ILE 80 3HD1 ILE 80 8.173 -5.119 7.753 620 H MET 81 H MET 81 6.694 -1.953 4.763 621 HA MET 81 HA MET 81 7.767 -0.720 2.454 622 HB2 MET 81 2HB MET 81 4.868 -1.242 3.120 623 HB3 MET 81 1HB MET 81 5.479 -0.767 1.538 624 HG2 MET 81 2HG MET 81 6.038 -3.326 3.015 625 HG3 MET 81 1HG MET 81 5.101 -3.125 1.536 626 HE1 MET 81 1HE MET 81 7.874 -2.264 -1.081 627 HE2 MET 81 2HE MET 81 6.856 -1.134 -0.184 628 HE3 MET 81 3HE MET 81 6.169 -2.637 -0.835 629 H SER 82 H SER 82 6.123 0.507 5.228 630 HA SER 82 HA SER 82 5.438 3.019 4.159 631 HB2 SER 82 2HB SER 82 6.062 2.232 7.020 632 HB3 SER 82 1HB SER 82 5.297 3.747 6.537 633 HG SER 82 HG SER 82 4.275 1.109 6.168 634 H LYS 83 H LYS 83 8.361 1.823 5.833 635 HA LYS 83 HA LYS 83 9.569 4.358 5.681 636 HB2 LYS 83 2HB LYS 83 11.630 3.324 6.461 637 HB3 LYS 83 1HB LYS 83 10.236 2.905 7.457 638 HG2 LYS 83 2HG LYS 83 10.088 0.825 6.240 639 HG3 LYS 83 1HG LYS 83 11.587 1.249 5.404 640 HD2 LYS 83 2HD LYS 83 11.267 0.937 8.395 641 HD3 LYS 83 1HD LYS 83 12.016 -0.261 7.339 642 HE2 LYS 83 2HE LYS 83 13.767 1.382 6.753 643 HE3 LYS 83 1HE LYS 83 13.012 2.553 7.840 644 HZ1 LYS 83 1HZ LYS 83 13.439 1.052 9.684 645 HZ2 LYS 83 2HZ LYS 83 14.894 1.404 8.866 646 HZ3 LYS 83 3HZ LYS 83 14.134 -0.073 8.624 647 H LEU 84 H LEU 84 9.590 1.555 3.683 648 HA LEU 84 HA LEU 84 11.665 2.141 1.889 649 HB2 LEU 84 2HB LEU 84 10.302 0.002 2.073 650 HB3 LEU 84 1HB LEU 84 8.989 0.829 1.287 651 HG LEU 84 HG LEU 84 10.138 -0.740 -0.200 652 HD11 LEU 84 1HD1 LEU 84 10.552 0.673 -2.134 653 HD12 LEU 84 2HD1 LEU 84 10.525 2.097 -1.093 654 HD13 LEU 84 3HD1 LEU 84 9.073 1.113 -1.279 655 HD21 LEU 84 1HD2 LEU 84 12.416 -0.273 -1.000 656 HD22 LEU 84 2HD2 LEU 84 12.322 -0.719 0.699 657 HD23 LEU 84 3HD2 LEU 84 12.567 0.972 0.247 658 H TYR 85 H TYR 85 8.232 2.974 1.839 659 HA TYR 85 HA TYR 85 8.342 4.430 -0.529 660 HB2 TYR 85 2HB TYR 85 6.294 4.115 1.593 661 HB3 TYR 85 1HB TYR 85 6.105 5.444 0.454 662 HD1 TYR 85 1HD TYR 85 4.537 4.918 -1.146 663 HD2 TYR 85 2HD TYR 85 7.256 1.893 0.085 664 HE1 TYR 85 1HE TYR 85 3.625 3.412 -2.843 665 HE2 TYR 85 2HE TYR 85 6.339 0.369 -1.604 666 HH TYR 85 HH TYR 85 4.261 1.464 -4.071 667 H GLN 86 H GLN 86 8.430 5.633 2.819 668 HA GLN 86 HA GLN 86 8.525 8.319 1.961 669 HB2 GLN 86 2HB GLN 86 9.329 8.903 4.203 670 HB3 GLN 86 1HB GLN 86 7.915 7.860 4.249 671 HG2 GLN 86 2HG GLN 86 9.319 5.978 4.750 672 HG3 GLN 86 1HG GLN 86 10.761 6.990 4.674 673 HE21 GLN 86 1HE2 GLN 86 11.322 6.592 6.818 674 HE22 GLN 86 2HE2 GLN 86 10.430 7.240 8.135 675 H ALA 87 H ALA 87 11.050 5.955 2.391 676 HA ALA 87 HA ALA 87 13.245 7.700 2.279 677 HB1 ALA 87 1HB ALA 87 13.436 5.355 2.978 678 HB2 ALA 87 2HB ALA 87 14.581 5.747 1.690 679 HB3 ALA 87 3HB ALA 87 13.112 4.841 1.325 680 H GLY 88 H GLY 88 11.599 5.960 -0.326 681 HA2 GLY 88 2HA GLY 88 11.832 8.058 -2.159 682 HA3 GLY 88 1HA GLY 88 13.238 7.025 -2.383 683 H GLY 89 H GLY 89 9.975 6.105 -1.505 684 HA2 GLY 89 2HA GLY 89 9.821 4.640 -4.062 685 HA3 GLY 89 1HA GLY 89 9.329 3.926 -2.527 686 H ALA 90 H ALA 90 8.363 6.820 -1.939 687 HA ALA 90 HA ALA 90 5.658 6.313 -2.575 688 HB1 ALA 90 1HB ALA 90 6.345 7.402 -0.482 689 HB2 ALA 90 2HB ALA 90 5.156 8.342 -1.387 690 HB3 ALA 90 3HB ALA 90 6.855 8.816 -1.408 691 HA PRO 91 HA PRO 91 6.098 10.253 -5.492 692 HB2 PRO 91 2HB PRO 91 8.537 10.303 -6.819 693 HB3 PRO 91 1HB PRO 91 8.111 11.351 -5.464 694 HG2 PRO 91 2HG PRO 91 9.685 8.810 -5.479 695 HG3 PRO 91 1HG PRO 91 9.972 10.303 -4.567 696 HD2 PRO 91 2HD PRO 91 8.893 8.169 -3.394 697 HD3 PRO 91 1HD PRO 91 8.339 9.806 -2.997 698 H GLY 92 H GLY 92 4.756 9.253 -6.839 699 HA2 GLY 92 2HA GLY 92 4.302 8.471 -9.025 700 HA3 GLY 92 1HA GLY 92 5.928 7.809 -9.091 701 H GLY 93 H GLY 93 5.191 6.785 -6.237 702 HA2 GLY 93 2HA GLY 93 4.436 4.792 -5.357 703 HA3 GLY 93 1HA GLY 93 3.387 4.626 -6.767 704 H ALA 94 H ALA 94 6.842 5.086 -6.795 705 HA ALA 94 HA ALA 94 7.319 2.347 -7.583 706 HB1 ALA 94 1HB ALA 94 6.801 3.474 -9.692 707 HB2 ALA 94 2HB ALA 94 8.504 3.028 -9.614 708 HB3 ALA 94 3HB ALA 94 8.016 4.703 -9.338 709 H ALA 95 H ALA 95 9.321 1.723 -7.003 710 HA ALA 95 HA ALA 95 10.884 3.662 -5.493 711 HB1 ALA 95 1HB ALA 95 10.261 1.575 -4.351 712 HB2 ALA 95 2HB ALA 95 12.011 1.735 -4.519 713 HB3 ALA 95 3HB ALA 95 11.118 0.653 -5.586 714 H GLY 96 H GLY 96 11.881 4.755 -7.086 715 HA2 GLY 96 2HA GLY 96 14.361 4.106 -7.908 716 HA3 GLY 96 1HA GLY 96 13.340 3.403 -9.163 717 H GLY 97 H GLY 97 13.239 4.679 -10.870 718 HA2 GLY 97 2HA GLY 97 12.082 7.159 -10.911 719 HA3 GLY 97 1HA GLY 97 13.811 7.446 -10.745 720 H ALA 98 H ALA 98 15.226 6.505 -12.340 721 HA ALA 98 HA ALA 98 14.203 5.579 -14.832 722 HB1 ALA 98 1HB ALA 98 13.779 7.994 -15.092 723 HB2 ALA 98 2HB ALA 98 15.110 7.495 -16.136 724 HB3 ALA 98 3HB ALA 98 15.444 8.343 -14.629 725 HA PRO 99 HA PRO 99 18.319 3.773 -14.877 726 HB2 PRO 99 2HB PRO 99 18.538 4.741 -17.692 727 HB3 PRO 99 1HB PRO 99 18.796 3.117 -17.050 728 HG2 PRO 99 2HG PRO 99 16.586 3.684 -18.398 729 HG3 PRO 99 1HG PRO 99 16.524 2.643 -16.965 730 HD2 PRO 99 2HD PRO 99 15.702 5.495 -17.270 731 HD3 PRO 99 1HD PRO 99 14.976 4.197 -16.297 732 H GLY 100 H GLY 100 19.844 4.854 -13.775 733 HA2 GLY 100 2HA GLY 100 21.873 6.166 -13.948 734 HA3 GLY 100 1HA GLY 100 20.987 7.292 -14.975 735 H GLY 101 H GLY 101 18.612 7.264 -13.418 736 HA2 GLY 101 2HA GLY 101 17.700 8.106 -11.482 737 HA3 GLY 101 1HA GLY 101 19.321 8.283 -10.810 Start of MODEL 5 1 H1 SER 1 1HT SER 1 -20.333 -26.129 -11.694 2 H2 SER 1 2HT SER 1 -21.141 -27.450 -11.030 3 H3 SER 1 3HT SER 1 -20.175 -26.476 -10.046 4 HA SER 1 HA SER 1 -22.632 -25.641 -11.387 5 HB2 SER 1 2HB SER 1 -23.361 -25.455 -8.941 6 HB3 SER 1 1HB SER 1 -23.171 -27.095 -9.574 7 HG SER 1 HG SER 1 -21.775 -25.671 -7.714 8 H LYS 2 H LYS 2 -23.362 -23.489 -10.392 9 HA LYS 2 HA LYS 2 -21.515 -21.584 -11.177 10 HB2 LYS 2 2HB LYS 2 -24.140 -21.253 -9.763 11 HB3 LYS 2 1HB LYS 2 -23.171 -19.890 -10.283 12 HG2 LYS 2 2HG LYS 2 -24.026 -22.012 -12.226 13 HG3 LYS 2 1HG LYS 2 -25.110 -20.710 -11.778 14 HD2 LYS 2 2HD LYS 2 -23.956 -20.182 -13.878 15 HD3 LYS 2 1HD LYS 2 -23.487 -19.055 -12.623 16 HE2 LYS 2 2HE LYS 2 -21.627 -19.755 -14.056 17 HE3 LYS 2 1HE LYS 2 -21.327 -20.174 -12.383 18 HZ1 LYS 2 1HZ LYS 2 -20.719 -22.053 -13.647 19 HZ2 LYS 2 2HZ LYS 2 -22.043 -21.918 -14.660 20 HZ3 LYS 2 3HZ LYS 2 -22.254 -22.482 -13.096 21 H GLU 3 H GLU 3 -22.571 -22.223 -7.831 22 HA GLU 3 HA GLU 3 -21.020 -20.103 -6.762 23 HB2 GLU 3 2HB GLU 3 -21.466 -21.012 -4.553 24 HB3 GLU 3 1HB GLU 3 -22.934 -21.087 -5.496 25 HG2 GLU 3 2HG GLU 3 -21.106 -23.400 -4.831 26 HG3 GLU 3 1HG GLU 3 -22.672 -23.063 -4.103 27 H GLU 4 H GLU 4 -20.457 -23.444 -7.301 28 HA GLU 4 HA GLU 4 -17.933 -23.755 -6.165 29 HB2 GLU 4 2HB GLU 4 -19.276 -25.602 -6.932 30 HB3 GLU 4 1HB GLU 4 -19.194 -25.015 -8.583 31 HG2 GLU 4 2HG GLU 4 -16.808 -25.456 -8.620 32 HG3 GLU 4 1HG GLU 4 -16.891 -26.047 -6.957 33 H ASP 5 H ASP 5 -18.889 -22.800 -9.460 34 HA ASP 5 HA ASP 5 -16.306 -22.424 -10.482 35 HB2 ASP 5 2HB ASP 5 -18.865 -21.026 -11.285 36 HB3 ASP 5 1HB ASP 5 -17.343 -20.837 -12.137 37 H GLU 6 H GLU 6 -18.447 -20.223 -8.794 38 HA GLU 6 HA GLU 6 -16.753 -17.981 -8.985 39 HB2 GLU 6 2HB GLU 6 -18.782 -18.628 -6.859 40 HB3 GLU 6 1HB GLU 6 -17.942 -17.094 -6.983 41 HG2 GLU 6 2HG GLU 6 -18.932 -16.934 -9.316 42 HG3 GLU 6 1HG GLU 6 -19.976 -18.275 -8.835 43 H LYS 7 H LYS 7 -17.026 -20.483 -6.511 44 HA LYS 7 HA LYS 7 -15.083 -19.397 -4.805 45 HB2 LYS 7 2HB LYS 7 -15.938 -22.264 -5.172 46 HB3 LYS 7 1HB LYS 7 -14.799 -21.747 -3.940 47 HG2 LYS 7 2HG LYS 7 -16.521 -20.271 -2.998 48 HG3 LYS 7 1HG LYS 7 -17.660 -20.863 -4.208 49 HD2 LYS 7 2HD LYS 7 -17.433 -23.115 -3.335 50 HD3 LYS 7 1HD LYS 7 -16.235 -22.561 -2.169 51 HE2 LYS 7 2HE LYS 7 -19.113 -21.662 -2.302 52 HE3 LYS 7 1HE LYS 7 -18.468 -22.835 -1.158 53 HZ1 LYS 7 1HZ LYS 7 -17.744 -19.950 -1.316 54 HZ2 LYS 7 2HZ LYS 7 -17.029 -21.074 -0.273 55 HZ3 LYS 7 3HZ LYS 7 -18.650 -20.715 -0.115 56 H GLU 8 H GLU 8 -14.748 -21.789 -7.374 57 HA GLU 8 HA GLU 8 -11.997 -22.179 -7.118 58 HB2 GLU 8 2HB GLU 8 -13.758 -22.396 -9.555 59 HB3 GLU 8 1HB GLU 8 -12.087 -22.946 -9.494 60 HG2 GLU 8 2HG GLU 8 -14.346 -23.965 -7.786 61 HG3 GLU 8 1HG GLU 8 -13.633 -24.789 -9.174 62 H SER 9 H SER 9 -13.759 -19.938 -9.225 63 HA SER 9 HA SER 9 -11.482 -18.851 -10.453 64 HB2 SER 9 2HB SER 9 -14.118 -17.459 -9.977 65 HB3 SER 9 1HB SER 9 -12.894 -17.067 -11.193 66 HG SER 9 HG SER 9 -14.649 -19.244 -11.035 67 H GLN 10 H GLN 10 -13.240 -17.869 -7.526 68 HA GLN 10 HA GLN 10 -11.674 -15.555 -7.132 69 HB2 GLN 10 2HB GLN 10 -13.437 -17.089 -5.233 70 HB3 GLN 10 1HB GLN 10 -12.602 -15.604 -4.794 71 HG2 GLN 10 2HG GLN 10 -13.792 -14.395 -6.522 72 HG3 GLN 10 1HG GLN 10 -14.590 -15.881 -7.030 73 HE21 GLN 10 1HE2 GLN 10 -16.170 -16.730 -5.762 74 HE22 GLN 10 2HE2 GLN 10 -16.989 -15.825 -4.532 75 H ARG 11 H ARG 11 -11.316 -18.876 -6.087 76 HA ARG 11 HA ARG 11 -9.154 -18.501 -4.323 77 HB2 ARG 11 2HB ARG 11 -9.858 -20.801 -6.139 78 HB3 ARG 11 1HB ARG 11 -8.473 -20.845 -5.064 79 HG2 ARG 11 2HG ARG 11 -9.920 -20.666 -3.140 80 HG3 ARG 11 1HG ARG 11 -11.328 -20.479 -4.188 81 HD2 ARG 11 2HD ARG 11 -11.051 -22.762 -3.282 82 HD3 ARG 11 1HD ARG 11 -11.044 -22.717 -5.052 83 HE ARG 11 HE ARG 11 -8.499 -22.659 -3.649 84 HH11 ARG 11 1HH1 ARG 11 -10.865 -24.653 -5.492 85 HH12 ARG 11 2HH1 ARG 11 -9.739 -25.880 -5.774 86 HH21 ARG 11 1HH2 ARG 11 -6.975 -24.418 -4.190 87 HH22 ARG 11 2HH2 ARG 11 -7.579 -25.754 -5.067 88 H ILE 12 H ILE 12 -9.255 -19.083 -7.800 89 HA ILE 12 HA ILE 12 -6.477 -18.975 -8.257 90 HB ILE 12 HB ILE 12 -8.675 -18.196 -10.202 91 HG12 ILE 12 2HG1 ILE 12 -7.449 -20.926 -9.699 92 HG13 ILE 12 1HG1 ILE 12 -9.052 -20.440 -9.185 93 HG21 ILE 12 1HG2 ILE 12 -6.375 -17.614 -10.909 94 HG22 ILE 12 2HG2 ILE 12 -7.043 -18.898 -11.919 95 HG23 ILE 12 3HG2 ILE 12 -5.878 -19.287 -10.657 96 HD11 ILE 12 1HD1 ILE 12 -9.726 -20.178 -11.521 97 HD12 ILE 12 2HD1 ILE 12 -9.144 -21.811 -11.193 98 HD13 ILE 12 3HD1 ILE 12 -8.111 -20.660 -12.041 99 H ALA 13 H ALA 13 -9.009 -16.531 -8.413 100 HA ALA 13 HA ALA 13 -7.525 -14.393 -9.321 101 HB1 ALA 13 1HB ALA 13 -9.964 -14.374 -9.197 102 HB2 ALA 13 2HB ALA 13 -9.279 -12.968 -8.378 103 HB3 ALA 13 3HB ALA 13 -9.872 -14.331 -7.436 104 H SER 14 H SER 14 -8.240 -15.353 -5.986 105 HA SER 14 HA SER 14 -6.746 -13.282 -4.785 106 HB2 SER 14 2HB SER 14 -7.552 -15.955 -3.624 107 HB3 SER 14 1HB SER 14 -7.112 -14.507 -2.715 108 HG SER 14 HG SER 14 -9.381 -14.961 -4.339 109 H LYS 15 H LYS 15 -6.016 -16.597 -5.760 110 HA LYS 15 HA LYS 15 -3.479 -16.918 -4.676 111 HB2 LYS 15 2HB LYS 15 -4.634 -18.754 -5.744 112 HB3 LYS 15 1HB LYS 15 -4.627 -17.914 -7.287 113 HG2 LYS 15 2HG LYS 15 -2.161 -18.080 -7.328 114 HG3 LYS 15 1HG LYS 15 -2.233 -19.012 -5.829 115 HD2 LYS 15 2HD LYS 15 -3.556 -20.706 -6.909 116 HD3 LYS 15 1HD LYS 15 -3.592 -19.773 -8.406 117 HE2 LYS 15 2HE LYS 15 -1.132 -20.938 -7.096 118 HE3 LYS 15 1HE LYS 15 -1.948 -21.596 -8.506 119 HZ1 LYS 15 1HZ LYS 15 -1.406 -19.413 -9.649 120 HZ2 LYS 15 2HZ LYS 15 -0.146 -20.416 -9.310 121 HZ3 LYS 15 3HZ LYS 15 -0.336 -19.060 -8.381 122 H ASN 16 H ASN 16 -4.423 -15.647 -7.853 123 HA ASN 16 HA ASN 16 -1.860 -15.037 -8.760 124 HB2 ASN 16 2HB ASN 16 -4.547 -13.950 -9.506 125 HB3 ASN 16 1HB ASN 16 -3.102 -13.214 -10.178 126 HD21 ASN 16 1HD2 ASN 16 -5.170 -15.990 -10.170 127 HD22 ASN 16 2HD2 ASN 16 -4.476 -16.740 -11.556 128 H GLN 17 H GLN 17 -4.014 -13.108 -6.791 129 HA GLN 17 HA GLN 17 -2.344 -10.794 -6.869 130 HB2 GLN 17 2HB GLN 17 -4.687 -10.571 -6.309 131 HB3 GLN 17 1HB GLN 17 -4.488 -11.618 -4.912 132 HG2 GLN 17 2HG GLN 17 -3.003 -9.970 -3.882 133 HG3 GLN 17 1HG GLN 17 -3.211 -8.912 -5.274 134 HE21 GLN 17 1HE2 GLN 17 -6.023 -9.508 -5.568 135 HE22 GLN 17 2HE2 GLN 17 -6.830 -8.740 -4.263 136 H LEU 18 H LEU 18 -2.843 -13.373 -4.499 137 HA LEU 18 HA LEU 18 -1.112 -12.509 -2.494 138 HB2 LEU 18 2HB LEU 18 -2.835 -14.304 -2.323 139 HB3 LEU 18 1HB LEU 18 -1.862 -15.330 -3.337 140 HG LEU 18 HG LEU 18 -1.898 -15.922 -0.901 141 HD11 LEU 18 1HD1 LEU 18 0.467 -16.383 -0.664 142 HD12 LEU 18 2HD1 LEU 18 0.823 -15.284 -1.998 143 HD13 LEU 18 3HD1 LEU 18 -0.107 -16.751 -2.289 144 HD21 LEU 18 1HD2 LEU 18 -1.909 -13.696 0.032 145 HD22 LEU 18 2HD2 LEU 18 -0.289 -13.396 -0.602 146 HD23 LEU 18 3HD2 LEU 18 -0.537 -14.617 0.644 147 H GLU 19 H GLU 19 -0.579 -14.590 -5.222 148 HA GLU 19 HA GLU 19 2.094 -15.267 -4.854 149 HB2 GLU 19 2HB GLU 19 0.410 -16.332 -6.328 150 HB3 GLU 19 1HB GLU 19 0.505 -14.941 -7.383 151 HG2 GLU 19 2HG GLU 19 2.754 -15.445 -7.917 152 HG3 GLU 19 1HG GLU 19 2.777 -16.804 -6.777 153 H SER 20 H SER 20 0.599 -12.718 -6.874 154 HA SER 20 HA SER 20 3.039 -11.723 -7.849 155 HB2 SER 20 2HB SER 20 0.350 -10.370 -7.729 156 HB3 SER 20 1HB SER 20 1.722 -9.866 -8.723 157 HG SER 20 HG SER 20 -0.054 -11.920 -9.047 158 H ILE 21 H ILE 21 1.018 -10.686 -5.090 159 HA ILE 21 HA ILE 21 2.478 -8.362 -4.555 160 HB ILE 21 HB ILE 21 0.826 -10.104 -2.706 161 HG12 ILE 21 2HG1 ILE 21 -0.465 -9.117 -4.557 162 HG13 ILE 21 1HG1 ILE 21 -0.950 -8.434 -3.018 163 HG21 ILE 21 1HG2 ILE 21 2.370 -8.808 -1.408 164 HG22 ILE 21 2HG2 ILE 21 0.726 -8.182 -1.192 165 HG23 ILE 21 3HG2 ILE 21 1.875 -7.331 -2.237 166 HD11 ILE 21 1HD1 ILE 21 -0.873 -6.758 -4.736 167 HD12 ILE 21 2HD1 ILE 21 0.818 -7.132 -5.069 168 HD13 ILE 21 3HD1 ILE 21 0.357 -6.427 -3.514 169 H ALA 22 H ALA 22 2.896 -11.709 -3.495 170 HA ALA 22 HA ALA 22 4.935 -11.215 -1.631 171 HB1 ALA 22 1HB ALA 22 5.442 -13.600 -1.803 172 HB2 ALA 22 2HB ALA 22 4.470 -13.715 -3.270 173 HB3 ALA 22 3HB ALA 22 3.703 -13.343 -1.728 174 H TYR 23 H TYR 23 5.077 -11.960 -5.106 175 HA TYR 23 HA TYR 23 7.920 -11.850 -5.240 176 HB2 TYR 23 2HB TYR 23 5.876 -11.471 -7.438 177 HB3 TYR 23 1HB TYR 23 7.609 -11.488 -7.712 178 HD1 TYR 23 1HD TYR 23 4.741 -13.421 -7.856 179 HD2 TYR 23 2HD TYR 23 8.799 -13.668 -6.625 180 HE1 TYR 23 1HE TYR 23 4.667 -15.864 -8.096 181 HE2 TYR 23 2HE TYR 23 8.720 -16.123 -6.866 182 HH TYR 23 HH TYR 23 6.944 -17.884 -6.795 183 H SER 24 H SER 24 5.388 -9.459 -5.769 184 HA SER 24 HA SER 24 6.963 -7.393 -6.765 185 HB2 SER 24 2HB SER 24 4.411 -7.553 -6.755 186 HB3 SER 24 1HB SER 24 4.476 -7.072 -5.066 187 HG SER 24 HG SER 24 5.788 -5.547 -7.002 188 H LEU 25 H LEU 25 6.061 -8.266 -3.456 189 HA LEU 25 HA LEU 25 7.219 -6.128 -2.101 190 HB2 LEU 25 2HB LEU 25 5.734 -7.776 -1.031 191 HB3 LEU 25 1HB LEU 25 6.958 -9.010 -1.254 192 HG LEU 25 HG LEU 25 8.435 -7.867 0.327 193 HD11 LEU 25 1HD1 LEU 25 7.734 -5.569 -0.041 194 HD12 LEU 25 2HD1 LEU 25 7.601 -5.989 1.666 195 HD13 LEU 25 3HD1 LEU 25 6.155 -5.920 0.659 196 HD21 LEU 25 1HD2 LEU 25 6.851 -9.553 1.137 197 HD22 LEU 25 2HD2 LEU 25 5.662 -8.282 1.427 198 HD23 LEU 25 3HD2 LEU 25 7.162 -8.311 2.347 199 H LYS 26 H LYS 26 8.611 -9.319 -2.876 200 HA LYS 26 HA LYS 26 11.126 -8.703 -1.769 201 HB2 LYS 26 2HB LYS 26 10.508 -10.721 -3.920 202 HB3 LYS 26 1HB LYS 26 12.018 -10.620 -3.030 203 HG2 LYS 26 2HG LYS 26 10.630 -10.954 -0.942 204 HG3 LYS 26 1HG LYS 26 9.311 -11.406 -2.012 205 HD2 LYS 26 2HD LYS 26 12.033 -12.725 -1.926 206 HD3 LYS 26 1HD LYS 26 10.571 -13.377 -1.191 207 HE2 LYS 26 2HE LYS 26 9.562 -13.674 -3.342 208 HE3 LYS 26 1HE LYS 26 10.875 -12.812 -4.137 209 HZ1 LYS 26 1HZ LYS 26 11.127 -15.431 -2.725 210 HZ2 LYS 26 2HZ LYS 26 12.389 -14.598 -3.455 211 HZ3 LYS 26 3HZ LYS 26 11.133 -15.197 -4.380 212 H ASN 27 H ASN 27 9.879 -8.404 -4.997 213 HA ASN 27 HA ASN 27 12.237 -7.691 -6.320 214 HB2 ASN 27 2HB ASN 27 10.144 -8.350 -7.451 215 HB3 ASN 27 1HB ASN 27 9.378 -6.875 -6.889 216 HD21 ASN 27 1HD2 ASN 27 8.905 -6.163 -8.907 217 HD22 ASN 27 2HD2 ASN 27 10.100 -5.582 -10.005 218 H THR 28 H THR 28 9.784 -5.632 -4.747 219 HA THR 28 HA THR 28 11.082 -3.215 -5.382 220 HB THR 28 HB THR 28 9.097 -3.805 -3.174 221 HG1 THR 28 1HG THR 28 8.872 -3.090 -5.895 222 HG21 THR 28 1HG2 THR 28 8.566 -1.400 -3.295 223 HG22 THR 28 2HG2 THR 28 9.841 -1.183 -4.493 224 HG23 THR 28 3HG2 THR 28 10.252 -1.654 -2.845 225 H ILE 29 H ILE 29 11.277 -5.361 -2.548 226 HA ILE 29 HA ILE 29 12.873 -3.560 -1.009 227 HB ILE 29 HB ILE 29 12.886 -6.598 -0.691 228 HG12 ILE 29 2HG1 ILE 29 10.553 -5.796 -0.606 229 HG13 ILE 29 1HG1 ILE 29 11.107 -6.338 0.969 230 HG21 ILE 29 1HG2 ILE 29 13.416 -4.440 1.307 231 HG22 ILE 29 2HG2 ILE 29 14.634 -5.353 0.435 232 HG23 ILE 29 3HG2 ILE 29 13.540 -6.187 1.554 233 HD11 ILE 29 1HD1 ILE 29 9.761 -4.351 1.165 234 HD12 ILE 29 2HD1 ILE 29 10.816 -3.482 0.049 235 HD13 ILE 29 3HD1 ILE 29 11.422 -3.992 1.628 236 H SER 30 H SER 30 13.577 -6.120 -3.330 237 HA SER 30 HA SER 30 16.301 -6.380 -2.919 238 HB2 SER 30 2HB SER 30 14.891 -7.945 -4.221 239 HB3 SER 30 1HB SER 30 14.702 -6.726 -5.471 240 HG SER 30 HG SER 30 16.277 -8.095 -6.090 241 H GLU 31 H GLU 31 14.495 -4.202 -5.094 242 HA GLU 31 HA GLU 31 16.968 -3.042 -5.983 243 HB2 GLU 31 2HB GLU 31 15.530 -1.595 -7.418 244 HB3 GLU 31 1HB GLU 31 15.325 -3.314 -7.689 245 HG2 GLU 31 2HG GLU 31 13.285 -3.217 -6.272 246 HG3 GLU 31 1HG GLU 31 13.481 -1.467 -6.199 247 H ALA 32 H ALA 32 15.106 -2.567 -3.313 248 HA ALA 32 HA ALA 32 15.321 0.266 -3.050 249 HB1 ALA 32 1HB ALA 32 14.941 -1.842 -0.916 250 HB2 ALA 32 2HB ALA 32 13.647 -1.018 -1.789 251 HB3 ALA 32 3HB ALA 32 14.697 -0.108 -0.704 252 H GLY 33 H GLY 33 17.185 -2.499 -2.018 253 HA2 GLY 33 2HA GLY 33 19.405 -2.741 -1.524 254 HA3 GLY 33 1HA GLY 33 19.642 -1.165 -2.245 255 H ASP 34 H ASP 34 19.921 0.569 -0.988 256 HA ASP 34 HA ASP 34 21.010 0.081 1.621 257 HB2 ASP 34 2HB ASP 34 21.769 2.332 1.532 258 HB3 ASP 34 1HB ASP 34 21.923 1.678 -0.102 259 H LYS 35 H LYS 35 18.069 1.126 0.404 260 HA LYS 35 HA LYS 35 17.296 2.971 2.408 261 HB2 LYS 35 2HB LYS 35 15.628 1.532 0.371 262 HB3 LYS 35 1HB LYS 35 15.074 2.895 1.347 263 HG2 LYS 35 2HG LYS 35 16.660 4.349 0.389 264 HG3 LYS 35 1HG LYS 35 17.519 3.020 -0.377 265 HD2 LYS 35 2HD LYS 35 15.508 2.623 -1.780 266 HD3 LYS 35 1HD LYS 35 14.787 4.076 -1.072 267 HE2 LYS 35 2HE LYS 35 15.894 4.531 -3.231 268 HE3 LYS 35 1HE LYS 35 16.603 5.431 -1.889 269 HZ1 LYS 35 1HZ LYS 35 17.716 2.930 -3.071 270 HZ2 LYS 35 2HZ LYS 35 18.443 3.762 -1.816 271 HZ3 LYS 35 3HZ LYS 35 18.320 4.466 -3.331 272 H LEU 36 H LEU 36 17.397 -0.358 2.620 273 HA LEU 36 HA LEU 36 15.868 -0.235 5.099 274 HB2 LEU 36 2HB LEU 36 15.531 -2.345 2.955 275 HB3 LEU 36 1HB LEU 36 14.922 -2.505 4.588 276 HG LEU 36 HG LEU 36 14.045 -0.348 2.665 277 HD11 LEU 36 1HD1 LEU 36 13.384 -2.496 1.826 278 HD12 LEU 36 2HD1 LEU 36 11.982 -1.643 2.465 279 HD13 LEU 36 3HD1 LEU 36 12.724 -2.947 3.396 280 HD21 LEU 36 1HD2 LEU 36 13.764 0.268 5.006 281 HD22 LEU 36 2HD2 LEU 36 12.931 -1.256 5.315 282 HD23 LEU 36 3HD2 LEU 36 12.203 -0.055 4.251 283 H GLU 37 H GLU 37 16.807 -1.511 6.698 284 HA GLU 37 HA GLU 37 19.416 -2.418 5.962 285 HB2 GLU 37 2HB GLU 37 19.877 -2.669 8.416 286 HB3 GLU 37 1HB GLU 37 19.471 -1.050 7.897 287 HG2 GLU 37 2HG GLU 37 18.458 -1.463 10.011 288 HG3 GLU 37 1HG GLU 37 17.190 -1.398 8.789 289 H GLN 38 H GLN 38 20.212 -4.382 7.385 290 HA GLN 38 HA GLN 38 19.546 -6.563 5.897 291 HB2 GLN 38 2HB GLN 38 21.596 -6.401 7.150 292 HB3 GLN 38 1HB GLN 38 20.721 -6.495 8.669 293 HG2 GLN 38 2HG GLN 38 21.781 -8.609 8.160 294 HG3 GLN 38 1HG GLN 38 20.027 -8.778 8.111 295 HE21 GLN 38 1HE2 GLN 38 19.019 -9.058 6.123 296 HE22 GLN 38 2HE2 GLN 38 19.867 -9.611 4.738 297 H ALA 39 H ALA 39 18.264 -5.864 9.180 298 HA ALA 39 HA ALA 39 16.962 -8.400 9.256 299 HB1 ALA 39 1HB ALA 39 17.758 -7.358 11.296 300 HB2 ALA 39 2HB ALA 39 16.013 -7.615 11.380 301 HB3 ALA 39 3HB ALA 39 16.665 -6.005 11.047 302 H ASP 40 H ASP 40 15.898 -5.103 8.658 303 HA ASP 40 HA ASP 40 13.110 -5.563 8.444 304 HB2 ASP 40 2HB ASP 40 14.843 -3.389 8.155 305 HB3 ASP 40 1HB ASP 40 14.171 -3.595 6.550 306 H LYS 41 H LYS 41 15.593 -5.435 6.000 307 HA LYS 41 HA LYS 41 14.083 -6.045 3.749 308 HB2 LYS 41 2HB LYS 41 16.297 -5.125 3.659 309 HB3 LYS 41 1HB LYS 41 16.979 -6.558 4.403 310 HG2 LYS 41 2HG LYS 41 16.400 -7.865 2.435 311 HG3 LYS 41 1HG LYS 41 15.687 -6.454 1.672 312 HD2 LYS 41 2HD LYS 41 18.591 -6.776 2.479 313 HD3 LYS 41 1HD LYS 41 17.962 -6.830 0.834 314 HE2 LYS 41 2HE LYS 41 17.221 -4.481 1.066 315 HE3 LYS 41 1HE LYS 41 17.890 -4.444 2.694 316 HZ1 LYS 41 1HZ LYS 41 20.086 -4.859 1.749 317 HZ2 LYS 41 2HZ LYS 41 19.407 -3.457 1.133 318 HZ3 LYS 41 3HZ LYS 41 19.432 -4.861 0.201 319 H ASP 42 H ASP 42 15.763 -8.141 6.033 320 HA ASP 42 HA ASP 42 15.315 -10.555 4.593 321 HB2 ASP 42 2HB ASP 42 17.103 -10.185 6.339 322 HB3 ASP 42 1HB ASP 42 15.833 -10.269 7.553 323 H THR 43 H THR 43 13.575 -8.895 7.206 324 HA THR 43 HA THR 43 11.872 -11.039 7.803 325 HB THR 43 HB THR 43 11.391 -8.071 8.200 326 HG1 THR 43 1HG THR 43 13.239 -8.710 9.260 327 HG21 THR 43 1HG2 THR 43 10.139 -10.470 9.576 328 HG22 THR 43 2HG2 THR 43 9.320 -9.424 8.424 329 HG23 THR 43 3HG2 THR 43 9.834 -8.780 9.983 330 H VAL 44 H VAL 44 11.400 -8.308 5.584 331 HA VAL 44 HA VAL 44 8.792 -9.142 4.845 332 HB VAL 44 HB VAL 44 9.340 -7.779 2.674 333 HG11 VAL 44 1HG1 VAL 44 7.712 -7.130 4.385 334 HG12 VAL 44 2HG1 VAL 44 8.669 -5.719 3.913 335 HG13 VAL 44 3HG1 VAL 44 9.024 -6.570 5.417 336 HG21 VAL 44 1HG2 VAL 44 10.935 -5.951 3.112 337 HG22 VAL 44 2HG2 VAL 44 11.721 -7.527 3.060 338 HG23 VAL 44 3HG2 VAL 44 11.416 -6.745 4.607 339 H THR 45 H THR 45 11.889 -9.609 3.216 340 HA THR 45 HA THR 45 10.680 -10.863 1.037 341 HB THR 45 HB THR 45 12.853 -11.565 0.414 342 HG1 THR 45 1HG THR 45 14.021 -10.029 2.517 343 HG21 THR 45 1HG2 THR 45 12.683 -8.674 1.269 344 HG22 THR 45 2HG2 THR 45 12.087 -9.368 -0.236 345 HG23 THR 45 3HG2 THR 45 13.823 -9.291 0.070 346 H LYS 46 H LYS 46 12.256 -12.168 3.918 347 HA LYS 46 HA LYS 46 12.158 -14.845 3.045 348 HB2 LYS 46 2HB LYS 46 13.684 -14.006 4.750 349 HB3 LYS 46 1HB LYS 46 12.339 -13.731 5.827 350 HG2 LYS 46 2HG LYS 46 11.918 -16.064 6.065 351 HG3 LYS 46 1HG LYS 46 13.077 -16.455 4.786 352 HD2 LYS 46 2HD LYS 46 13.826 -15.040 7.337 353 HD3 LYS 46 1HD LYS 46 13.939 -16.790 7.112 354 HE2 LYS 46 2HE LYS 46 15.557 -16.566 5.406 355 HE3 LYS 46 1HE LYS 46 15.291 -14.842 5.242 356 HZ1 LYS 46 1HZ LYS 46 16.197 -14.483 7.365 357 HZ2 LYS 46 2HZ LYS 46 17.307 -15.345 6.419 358 HZ3 LYS 46 3HZ LYS 46 16.440 -16.146 7.638 359 H LYS 47 H LYS 47 9.892 -12.820 4.827 360 HA LYS 47 HA LYS 47 8.183 -15.046 5.207 361 HB2 LYS 47 2HB LYS 47 7.720 -12.117 5.633 362 HB3 LYS 47 1HB LYS 47 6.386 -13.269 5.688 363 HG2 LYS 47 2HG LYS 47 7.771 -14.530 7.408 364 HG3 LYS 47 1HG LYS 47 8.795 -13.095 7.469 365 HD2 LYS 47 2HD LYS 47 7.096 -13.097 9.254 366 HD3 LYS 47 1HD LYS 47 6.883 -11.740 8.145 367 HE2 LYS 47 2HE LYS 47 5.041 -12.814 7.054 368 HE3 LYS 47 1HE LYS 47 5.354 -14.338 7.889 369 HZ1 LYS 47 1HZ LYS 47 3.465 -12.956 8.753 370 HZ2 LYS 47 2HZ LYS 47 4.625 -11.863 9.343 371 HZ3 LYS 47 3HZ LYS 47 4.605 -13.423 9.886 372 H ALA 48 H ALA 48 8.551 -12.643 2.738 373 HA ALA 48 HA ALA 48 6.201 -13.235 1.287 374 HB1 ALA 48 1HB ALA 48 8.945 -12.401 0.276 375 HB2 ALA 48 2HB ALA 48 7.649 -11.316 0.747 376 HB3 ALA 48 3HB ALA 48 7.455 -12.356 -0.669 377 H GLU 49 H GLU 49 9.362 -14.705 1.401 378 HA GLU 49 HA GLU 49 8.945 -16.697 -0.520 379 HB2 GLU 49 2HB GLU 49 10.671 -16.685 1.940 380 HB3 GLU 49 1HB GLU 49 10.699 -17.966 0.740 381 HG2 GLU 49 2HG GLU 49 11.404 -16.351 -0.950 382 HG3 GLU 49 1HG GLU 49 11.373 -15.077 0.271 383 H GLU 50 H GLU 50 8.211 -16.619 2.979 384 HA GLU 50 HA GLU 50 7.364 -19.327 2.944 385 HB2 GLU 50 2HB GLU 50 6.730 -19.118 5.255 386 HB3 GLU 50 1HB GLU 50 8.165 -18.146 5.039 387 HG2 GLU 50 2HG GLU 50 6.819 -16.898 6.486 388 HG3 GLU 50 1HG GLU 50 6.608 -16.148 4.910 389 H THR 51 H THR 51 5.837 -16.303 2.375 390 HA THR 51 HA THR 51 3.241 -17.206 2.410 391 HB THR 51 HB THR 51 4.483 -14.903 0.904 392 HG1 THR 51 1HG THR 51 4.126 -15.341 3.482 393 HG21 THR 51 1HG2 THR 51 1.585 -15.425 1.580 394 HG22 THR 51 2HG2 THR 51 2.293 -15.464 -0.037 395 HG23 THR 51 3HG2 THR 51 2.221 -13.946 0.858 396 H ILE 52 H ILE 52 5.627 -17.055 -0.169 397 HA ILE 52 HA ILE 52 3.979 -18.148 -2.217 398 HB ILE 52 HB ILE 52 7.017 -18.130 -1.968 399 HG12 ILE 52 2HG1 ILE 52 5.181 -16.316 -3.545 400 HG13 ILE 52 1HG1 ILE 52 5.883 -15.909 -1.985 401 HG21 ILE 52 1HG2 ILE 52 6.281 -19.853 -3.558 402 HG22 ILE 52 2HG2 ILE 52 7.045 -18.513 -4.406 403 HG23 ILE 52 3HG2 ILE 52 5.289 -18.663 -4.400 404 HD11 ILE 52 1HD1 ILE 52 8.107 -16.012 -2.954 405 HD12 ILE 52 2HD1 ILE 52 7.082 -14.875 -3.830 406 HD13 ILE 52 3HD1 ILE 52 7.418 -16.465 -4.513 407 H SER 53 H SER 53 6.206 -19.514 0.129 408 HA SER 53 HA SER 53 6.111 -22.205 -0.634 409 HB2 SER 53 2HB SER 53 6.348 -21.091 2.177 410 HB3 SER 53 1HB SER 53 6.820 -22.706 1.660 411 HG SER 53 HG SER 53 7.955 -20.266 0.698 412 H TRP 54 H TRP 54 4.012 -20.303 1.487 413 HA TRP 54 HA TRP 54 2.255 -22.305 2.289 414 HB2 TRP 54 2HB TRP 54 2.267 -20.057 3.326 415 HB3 TRP 54 1HB TRP 54 1.692 -19.354 1.823 416 HD1 TRP 54 HD TRP 54 0.487 -21.416 4.816 417 HE1 TRP 54 1HE TRP 54 -2.072 -21.434 4.851 418 HE3 TRP 54 3HE TRP 54 -0.410 -19.122 0.337 419 HZ2 TRP 54 2HZ TRP 54 -4.192 -20.599 3.221 420 HZ3 TRP 54 3HZ TRP 54 -2.739 -18.772 -0.345 421 HH2 TRP 54 HH TRP 54 -4.591 -19.490 1.067 422 H LEU 55 H LEU 55 2.085 -20.086 -0.453 423 HA LEU 55 HA LEU 55 -0.322 -21.033 -1.496 424 HB2 LEU 55 2HB LEU 55 0.534 -18.879 -2.127 425 HB3 LEU 55 1HB LEU 55 1.984 -19.584 -2.790 426 HG LEU 55 HG LEU 55 -0.673 -20.205 -4.073 427 HD11 LEU 55 1HD1 LEU 55 0.989 -17.716 -4.437 428 HD12 LEU 55 2HD1 LEU 55 -0.699 -17.806 -3.898 429 HD13 LEU 55 3HD1 LEU 55 -0.268 -18.255 -5.541 430 HD21 LEU 55 1HD2 LEU 55 0.711 -20.326 -6.087 431 HD22 LEU 55 2HD2 LEU 55 1.345 -21.394 -4.835 432 HD23 LEU 55 3HD2 LEU 55 2.129 -19.848 -5.154 433 H ASP 56 H ASP 56 2.930 -22.218 -1.957 434 HA ASP 56 HA ASP 56 2.236 -23.946 -4.141 435 HB2 ASP 56 2HB ASP 56 4.510 -23.096 -3.962 436 HB3 ASP 56 1HB ASP 56 4.692 -23.841 -2.379 437 H SER 57 H SER 57 2.353 -24.214 -0.692 438 HA SER 57 HA SER 57 2.120 -27.091 -0.883 439 HB2 SER 57 2HB SER 57 2.350 -25.386 1.593 440 HB3 SER 57 1HB SER 57 2.609 -27.128 1.474 441 HG SER 57 HG SER 57 4.181 -25.003 0.567 442 H ASN 58 H ASN 58 0.106 -24.359 -0.472 443 HA ASN 58 HA ASN 58 -2.101 -25.997 0.584 444 HB2 ASN 58 2HB ASN 58 -1.403 -23.138 1.317 445 HB3 ASN 58 1HB ASN 58 -2.889 -23.949 1.787 446 HD21 ASN 58 1HD2 ASN 58 0.494 -23.660 2.308 447 HD22 ASN 58 2HD2 ASN 58 0.587 -24.609 3.750 448 H THR 59 H THR 59 -1.508 -25.507 -2.166 449 HA THR 59 HA THR 59 -2.821 -23.355 -3.270 450 HB THR 59 HB THR 59 -2.668 -26.073 -4.552 451 HG1 THR 59 1HG THR 59 -0.596 -24.260 -3.794 452 HG21 THR 59 1HG2 THR 59 -2.143 -23.262 -5.449 453 HG22 THR 59 2HG2 THR 59 -3.621 -24.180 -5.789 454 HG23 THR 59 3HG2 THR 59 -2.068 -24.690 -6.484 455 H THR 60 H THR 60 -4.091 -26.335 -1.884 456 HA THR 60 HA THR 60 -6.619 -26.222 -3.169 457 HB THR 60 HB THR 60 -6.975 -28.060 -1.354 458 HG1 THR 60 1HG THR 60 -5.151 -28.820 -0.476 459 HG21 THR 60 1HG2 THR 60 -6.746 -28.494 -3.767 460 HG22 THR 60 2HG2 THR 60 -5.868 -29.697 -2.825 461 HG23 THR 60 3HG2 THR 60 -4.991 -28.390 -3.618 462 H ALA 61 H ALA 61 -5.477 -24.148 -0.990 463 HA ALA 61 HA ALA 61 -7.482 -24.252 1.037 464 HB1 ALA 61 1HB ALA 61 -5.621 -21.995 0.293 465 HB2 ALA 61 2HB ALA 61 -5.255 -23.288 1.433 466 HB3 ALA 61 3HB ALA 61 -6.545 -22.143 1.790 467 H SER 62 H SER 62 -9.009 -22.493 1.421 468 HA SER 62 HA SER 62 -10.505 -21.941 -0.972 469 HB2 SER 62 2HB SER 62 -11.585 -22.661 1.179 470 HB3 SER 62 1HB SER 62 -11.067 -21.148 1.914 471 HG SER 62 HG SER 62 -12.938 -20.465 1.223 472 H LYS 63 H LYS 63 -11.388 -19.652 -1.221 473 HA LYS 63 HA LYS 63 -9.131 -18.009 -1.670 474 HB2 LYS 63 2HB LYS 63 -10.580 -16.225 -2.551 475 HB3 LYS 63 1HB LYS 63 -10.933 -17.775 -3.269 476 HG2 LYS 63 2HG LYS 63 -12.607 -16.604 -1.057 477 HG3 LYS 63 1HG LYS 63 -12.883 -16.220 -2.751 478 HD2 LYS 63 2HD LYS 63 -13.198 -18.671 -3.179 479 HD3 LYS 63 1HD LYS 63 -13.048 -18.937 -1.440 480 HE2 LYS 63 2HE LYS 63 -15.175 -17.297 -2.809 481 HE3 LYS 63 1HE LYS 63 -15.380 -18.877 -2.056 482 HZ1 LYS 63 1HZ LYS 63 -14.576 -17.768 0.042 483 HZ2 LYS 63 2HZ LYS 63 -16.123 -17.356 -0.475 484 HZ3 LYS 63 3HZ LYS 63 -14.861 -16.280 -0.706 485 H GLU 64 H GLU 64 -11.427 -18.029 0.883 486 HA GLU 64 HA GLU 64 -10.838 -15.614 2.147 487 HB2 GLU 64 2HB GLU 64 -11.278 -18.244 3.590 488 HB3 GLU 64 1HB GLU 64 -11.490 -16.643 4.261 489 HG2 GLU 64 2HG GLU 64 -13.651 -17.439 3.895 490 HG3 GLU 64 1HG GLU 64 -13.343 -16.359 2.539 491 H GLU 65 H GLU 65 -9.101 -18.638 2.093 492 HA GLU 65 HA GLU 65 -7.335 -17.932 4.213 493 HB2 GLU 65 2HB GLU 65 -7.175 -20.152 2.176 494 HB3 GLU 65 1HB GLU 65 -6.214 -20.042 3.649 495 HG2 GLU 65 2HG GLU 65 -8.238 -20.187 4.999 496 HG3 GLU 65 1HG GLU 65 -9.215 -20.263 3.538 497 H PHE 66 H PHE 66 -7.217 -17.964 0.699 498 HA PHE 66 HA PHE 66 -4.550 -17.082 0.437 499 HB2 PHE 66 2HB PHE 66 -6.932 -16.802 -1.405 500 HB3 PHE 66 1HB PHE 66 -5.363 -16.136 -1.817 501 HD1 PHE 66 1HD PHE 66 -3.470 -17.627 -2.300 502 HD2 PHE 66 2HD PHE 66 -7.373 -19.192 -1.560 503 HE1 PHE 66 1HE PHE 66 -2.804 -19.770 -3.289 504 HE2 PHE 66 2HE PHE 66 -6.695 -21.323 -2.542 505 HZ PHE 66 HZ PHE 66 -4.416 -21.622 -3.409 506 H ASP 67 H ASP 67 -7.620 -15.300 0.691 507 HA ASP 67 HA ASP 67 -6.481 -12.724 0.436 508 HB2 ASP 67 2HB ASP 67 -8.880 -13.128 0.109 509 HB3 ASP 67 1HB ASP 67 -9.041 -13.575 1.804 510 H ASP 68 H ASP 68 -7.219 -14.732 3.222 511 HA ASP 68 HA ASP 68 -6.521 -12.934 5.245 512 HB2 ASP 68 2HB ASP 68 -7.684 -14.913 5.862 513 HB3 ASP 68 1HB ASP 68 -6.440 -15.939 5.157 514 H LYS 69 H LYS 69 -4.494 -15.348 3.588 515 HA LYS 69 HA LYS 69 -2.164 -14.651 4.997 516 HB2 LYS 69 2HB LYS 69 -2.642 -16.127 2.458 517 HB3 LYS 69 1HB LYS 69 -1.005 -15.625 2.843 518 HG2 LYS 69 2HG LYS 69 -2.765 -17.302 4.622 519 HG3 LYS 69 1HG LYS 69 -1.524 -17.939 3.543 520 HD2 LYS 69 2HD LYS 69 -1.029 -16.047 5.873 521 HD3 LYS 69 1HD LYS 69 -0.715 -17.774 5.866 522 HE2 LYS 69 2HE LYS 69 0.931 -17.469 4.061 523 HE3 LYS 69 1HE LYS 69 0.613 -15.736 4.068 524 HZ1 LYS 69 1HZ LYS 69 2.612 -16.328 5.338 525 HZ2 LYS 69 2HZ LYS 69 1.680 -17.281 6.352 526 HZ3 LYS 69 3HZ LYS 69 1.448 -15.613 6.337 527 H LEU 70 H LEU 70 -3.637 -13.291 2.186 528 HA LEU 70 HA LEU 70 -1.454 -11.665 1.457 529 HB2 LEU 70 2HB LEU 70 -3.412 -12.174 -0.023 530 HB3 LEU 70 1HB LEU 70 -4.422 -11.200 1.012 531 HG LEU 70 HG LEU 70 -3.712 -10.161 -1.195 532 HD11 LEU 70 1HD1 LEU 70 -3.339 -7.931 -0.291 533 HD12 LEU 70 2HD1 LEU 70 -2.999 -8.627 1.293 534 HD13 LEU 70 3HD1 LEU 70 -4.610 -8.780 0.592 535 HD21 LEU 70 1HD2 LEU 70 -1.410 -10.896 -1.238 536 HD22 LEU 70 2HD2 LEU 70 -1.067 -9.983 0.229 537 HD23 LEU 70 3HD2 LEU 70 -1.486 -9.133 -1.254 538 H LYS 71 H LYS 71 -4.261 -11.168 3.540 539 HA LYS 71 HA LYS 71 -3.610 -8.511 4.228 540 HB2 LYS 71 2HB LYS 71 -5.255 -10.480 5.833 541 HB3 LYS 71 1HB LYS 71 -5.221 -8.741 6.066 542 HG2 LYS 71 2HG LYS 71 -6.278 -10.219 3.660 543 HG3 LYS 71 1HG LYS 71 -7.228 -9.373 4.880 544 HD2 LYS 71 2HD LYS 71 -6.235 -7.245 4.181 545 HD3 LYS 71 1HD LYS 71 -5.240 -8.094 2.994 546 HE2 LYS 71 2HE LYS 71 -7.297 -8.876 1.873 547 HE3 LYS 71 1HE LYS 71 -8.247 -7.947 3.034 548 HZ1 LYS 71 1HZ LYS 71 -7.221 -5.912 2.190 549 HZ2 LYS 71 2HZ LYS 71 -7.940 -6.760 0.937 550 HZ3 LYS 71 3HZ LYS 71 -6.282 -6.804 1.125 551 H GLU 72 H GLU 72 -2.822 -11.592 5.693 552 HA GLU 72 HA GLU 72 -1.534 -10.637 8.007 553 HB2 GLU 72 2HB GLU 72 -2.326 -12.987 7.557 554 HB3 GLU 72 1HB GLU 72 -0.993 -13.186 6.450 555 HG2 GLU 72 2HG GLU 72 -0.439 -12.487 9.303 556 HG3 GLU 72 1HG GLU 72 -0.885 -14.132 8.886 557 H LEU 73 H LEU 73 -0.254 -11.549 4.822 558 HA LEU 73 HA LEU 73 2.417 -10.930 5.320 559 HB2 LEU 73 2HB LEU 73 1.533 -12.303 3.413 560 HB3 LEU 73 1HB LEU 73 0.894 -10.855 2.695 561 HG LEU 73 HG LEU 73 3.005 -11.810 1.664 562 HD11 LEU 73 1HD1 LEU 73 4.055 -9.667 1.259 563 HD12 LEU 73 2HD1 LEU 73 3.153 -8.961 2.605 564 HD13 LEU 73 3HD1 LEU 73 2.298 -9.545 1.178 565 HD21 LEU 73 1HD2 LEU 73 5.136 -11.282 2.737 566 HD22 LEU 73 2HD2 LEU 73 4.173 -12.390 3.717 567 HD23 LEU 73 3HD2 LEU 73 4.274 -10.682 4.154 568 H GLN 74 H GLN 74 -0.219 -8.960 3.985 569 HA GLN 74 HA GLN 74 1.403 -6.678 3.638 570 HB2 GLN 74 2HB GLN 74 -1.583 -6.988 3.684 571 HB3 GLN 74 1HB GLN 74 -0.804 -5.424 3.481 572 HG2 GLN 74 2HG GLN 74 -0.422 -7.809 1.680 573 HG3 GLN 74 1HG GLN 74 -1.462 -6.425 1.343 574 HE21 GLN 74 1HE2 GLN 74 1.811 -7.553 1.562 575 HE22 GLN 74 2HE2 GLN 74 2.533 -6.186 0.784 576 H ASP 75 H ASP 75 -0.407 -7.822 6.394 577 HA ASP 75 HA ASP 75 -0.417 -5.448 7.904 578 HB2 ASP 75 2HB ASP 75 -1.740 -7.337 8.638 579 HB3 ASP 75 1HB ASP 75 -0.311 -8.346 8.783 580 H ILE 76 H ILE 76 1.983 -7.952 7.570 581 HA ILE 76 HA ILE 76 3.813 -6.643 9.390 582 HB ILE 76 HB ILE 76 4.249 -9.014 7.554 583 HG12 ILE 76 2HG1 ILE 76 2.525 -9.447 9.204 584 HG13 ILE 76 1HG1 ILE 76 3.973 -10.357 9.597 585 HG21 ILE 76 1HG2 ILE 76 5.955 -8.028 9.847 586 HG22 ILE 76 2HG2 ILE 76 6.378 -7.964 8.136 587 HG23 ILE 76 3HG2 ILE 76 6.208 -9.522 8.942 588 HD11 ILE 76 1HD1 ILE 76 4.536 -8.654 11.297 589 HD12 ILE 76 2HD1 ILE 76 3.008 -9.469 11.597 590 HD13 ILE 76 3HD1 ILE 76 3.012 -7.835 10.938 591 H ALA 77 H ALA 77 3.477 -6.998 5.907 592 HA ALA 77 HA ALA 77 5.990 -5.802 5.313 593 HB1 ALA 77 1HB ALA 77 3.630 -6.171 3.485 594 HB2 ALA 77 2HB ALA 77 4.880 -7.373 3.792 595 HB3 ALA 77 3HB ALA 77 5.297 -5.846 3.006 596 H ASN 78 H ASN 78 2.765 -4.503 5.767 597 HA ASN 78 HA ASN 78 2.958 -2.172 4.335 598 HB2 ASN 78 2HB ASN 78 0.835 -2.871 5.258 599 HB3 ASN 78 1HB ASN 78 1.395 -2.592 6.895 600 HD21 ASN 78 1HD2 ASN 78 0.301 -1.140 3.960 601 HD22 ASN 78 2HD2 ASN 78 0.063 0.446 4.598 602 HA PRO 79 HA PRO 79 4.805 0.292 8.149 603 HB2 PRO 79 2HB PRO 79 6.409 -1.935 9.322 604 HB3 PRO 79 1HB PRO 79 5.624 -0.577 10.133 605 HG2 PRO 79 2HG PRO 79 4.582 -3.012 10.285 606 HG3 PRO 79 1HG PRO 79 3.540 -1.589 10.097 607 HD2 PRO 79 2HD PRO 79 4.360 -3.621 8.062 608 HD3 PRO 79 1HD PRO 79 2.794 -2.813 8.289 609 H ILE 80 H ILE 80 6.539 -2.525 6.891 610 HA ILE 80 HA ILE 80 8.964 -1.155 6.572 611 HB ILE 80 HB ILE 80 7.997 -3.802 5.464 612 HG12 ILE 80 2HG1 ILE 80 9.913 -3.108 7.704 613 HG13 ILE 80 1HG1 ILE 80 8.217 -3.496 7.934 614 HG21 ILE 80 1HG2 ILE 80 9.767 -2.918 3.990 615 HG22 ILE 80 2HG2 ILE 80 10.350 -4.296 4.928 616 HG23 ILE 80 3HG2 ILE 80 10.799 -2.654 5.396 617 HD11 ILE 80 1HD1 ILE 80 8.601 -5.729 7.158 618 HD12 ILE 80 2HD1 ILE 80 9.729 -5.347 8.462 619 HD13 ILE 80 3HD1 ILE 80 10.285 -5.355 6.785 620 H MET 81 H MET 81 6.354 -1.933 4.359 621 HA MET 81 HA MET 81 7.385 -0.810 2.000 622 HB2 MET 81 2HB MET 81 4.530 -1.036 2.980 623 HB3 MET 81 1HB MET 81 4.941 -0.447 1.386 624 HG2 MET 81 2HG MET 81 5.860 -3.156 2.275 625 HG3 MET 81 1HG MET 81 4.206 -2.921 1.746 626 HE1 MET 81 1HE MET 81 7.939 -2.572 -1.002 627 HE2 MET 81 2HE MET 81 8.000 -2.866 0.740 628 HE3 MET 81 3HE MET 81 7.594 -1.263 0.116 629 H SER 82 H SER 82 5.954 0.615 4.838 630 HA SER 82 HA SER 82 5.397 3.134 3.725 631 HB2 SER 82 2HB SER 82 5.834 2.373 6.621 632 HB3 SER 82 1HB SER 82 5.109 3.877 6.052 633 HG SER 82 HG SER 82 4.100 1.230 5.810 634 H LYS 83 H LYS 83 8.322 1.757 5.270 635 HA LYS 83 HA LYS 83 9.660 4.232 5.436 636 HB2 LYS 83 2HB LYS 83 10.965 1.540 4.900 637 HB3 LYS 83 1HB LYS 83 11.849 3.005 5.218 638 HG2 LYS 83 2HG LYS 83 11.963 1.833 7.210 639 HG3 LYS 83 1HG LYS 83 10.647 2.972 7.500 640 HD2 LYS 83 2HD LYS 83 9.017 1.279 7.097 641 HD3 LYS 83 1HD LYS 83 10.294 0.198 6.512 642 HE2 LYS 83 2HE LYS 83 10.158 1.238 9.330 643 HE3 LYS 83 1HE LYS 83 9.466 -0.305 8.834 644 HZ1 LYS 83 1HZ LYS 83 12.348 0.440 8.621 645 HZ2 LYS 83 2HZ LYS 83 11.687 -1.047 8.165 646 HZ3 LYS 83 3HZ LYS 83 11.654 -0.567 9.773 647 H LEU 84 H LEU 84 9.528 1.746 2.994 648 HA LEU 84 HA LEU 84 11.268 2.907 1.140 649 HB2 LEU 84 2HB LEU 84 10.557 0.529 1.161 650 HB3 LEU 84 1HB LEU 84 8.967 1.006 0.633 651 HG LEU 84 HG LEU 84 10.453 -0.048 -1.117 652 HD11 LEU 84 1HD1 LEU 84 9.424 2.706 -1.732 653 HD12 LEU 84 2HD1 LEU 84 8.518 1.197 -1.827 654 HD13 LEU 84 3HD1 LEU 84 9.865 1.493 -2.931 655 HD21 LEU 84 1HD2 LEU 84 11.914 2.584 -0.958 656 HD22 LEU 84 2HD2 LEU 84 12.160 1.340 -2.184 657 HD23 LEU 84 3HD2 LEU 84 12.553 1.006 -0.497 658 H TYR 85 H TYR 85 7.691 2.987 1.128 659 HA TYR 85 HA TYR 85 7.612 4.620 -1.181 660 HB2 TYR 85 2HB TYR 85 5.430 3.941 0.787 661 HB3 TYR 85 1HB TYR 85 5.164 4.923 -0.648 662 HD1 TYR 85 1HD TYR 85 6.307 3.724 -2.841 663 HD2 TYR 85 2HD TYR 85 4.743 1.738 0.573 664 HE1 TYR 85 1HE TYR 85 5.945 1.712 -4.194 665 HE2 TYR 85 2HE TYR 85 4.385 -0.292 -0.774 666 HH TYR 85 HH TYR 85 4.038 -0.842 -3.166 667 H GLN 86 H GLN 86 7.804 5.467 2.195 668 HA GLN 86 HA GLN 86 7.073 8.196 1.541 669 HB2 GLN 86 2HB GLN 86 7.879 7.008 4.201 670 HB3 GLN 86 1HB GLN 86 7.312 8.657 3.959 671 HG2 GLN 86 2HG GLN 86 5.736 6.145 3.445 672 HG3 GLN 86 1HG GLN 86 5.542 7.222 4.821 673 HE21 GLN 86 1HE2 GLN 86 5.838 9.656 3.240 674 HE22 GLN 86 2HE2 GLN 86 4.406 9.831 2.326 675 H ALA 87 H ALA 87 9.868 6.346 1.584 676 HA ALA 87 HA ALA 87 11.662 8.519 2.232 677 HB1 ALA 87 1HB ALA 87 13.443 6.921 1.699 678 HB2 ALA 87 2HB ALA 87 12.238 5.766 1.141 679 HB3 ALA 87 3HB ALA 87 12.285 6.236 2.838 680 H GLY 88 H GLY 88 11.110 6.493 -0.603 681 HA2 GLY 88 2HA GLY 88 11.023 8.589 -2.452 682 HA3 GLY 88 1HA GLY 88 12.683 8.009 -2.341 683 H GLY 89 H GLY 89 9.447 6.613 -2.408 684 HA2 GLY 89 2HA GLY 89 10.319 4.998 -4.657 685 HA3 GLY 89 1HA GLY 89 9.916 4.135 -3.183 686 H ALA 90 H ALA 90 8.034 6.964 -3.678 687 HA ALA 90 HA ALA 90 5.679 5.465 -3.808 688 HB1 ALA 90 1HB ALA 90 4.464 7.537 -4.167 689 HB2 ALA 90 2HB ALA 90 5.938 8.384 -4.615 690 HB3 ALA 90 3HB ALA 90 5.725 7.795 -2.968 691 HA PRO 91 HA PRO 91 5.643 5.610 -8.499 692 HB2 PRO 91 2HB PRO 91 7.474 7.289 -9.791 693 HB3 PRO 91 1HB PRO 91 5.808 7.717 -9.405 694 HG2 PRO 91 2HG PRO 91 8.124 8.913 -8.328 695 HG3 PRO 91 1HG PRO 91 6.471 9.108 -7.732 696 HD2 PRO 91 2HD PRO 91 8.627 7.269 -6.782 697 HD3 PRO 91 1HD PRO 91 7.417 8.160 -5.835 698 H GLY 92 H GLY 92 7.801 4.424 -6.743 699 HA2 GLY 92 2HA GLY 92 10.170 4.057 -8.278 700 HA3 GLY 92 1HA GLY 92 9.714 3.167 -6.837 701 H GLY 93 H GLY 93 7.212 2.226 -7.910 702 HA2 GLY 93 2HA GLY 93 8.129 -0.151 -9.205 703 HA3 GLY 93 1HA GLY 93 6.477 0.261 -8.801 704 H ALA 94 H ALA 94 8.962 1.452 -10.960 705 HA ALA 94 HA ALA 94 7.066 2.351 -12.905 706 HB1 ALA 94 1HB ALA 94 10.069 2.175 -13.101 707 HB2 ALA 94 2HB ALA 94 9.155 3.565 -12.517 708 HB3 ALA 94 3HB ALA 94 9.008 3.056 -14.199 709 H ALA 95 H ALA 95 8.968 -0.485 -12.414 710 HA ALA 95 HA ALA 95 8.465 -1.404 -15.119 711 HB1 ALA 95 1HB ALA 95 10.018 -2.713 -12.888 712 HB2 ALA 95 2HB ALA 95 10.711 -1.757 -14.198 713 HB3 ALA 95 3HB ALA 95 9.914 -3.292 -14.550 714 H GLY 96 H GLY 96 6.420 -2.000 -15.332 715 HA2 GLY 96 2HA GLY 96 5.125 -3.459 -13.188 716 HA3 GLY 96 1HA GLY 96 4.340 -2.770 -14.605 717 H GLY 97 H GLY 97 3.292 -4.883 -14.600 718 HA2 GLY 97 2HA GLY 97 4.879 -7.186 -15.302 719 HA3 GLY 97 1HA GLY 97 3.125 -7.110 -15.146 720 H ALA 98 H ALA 98 5.810 -6.733 -17.238 721 HA ALA 98 HA ALA 98 3.955 -6.335 -19.474 722 HB1 ALA 98 1HB ALA 98 6.775 -5.299 -19.228 723 HB2 ALA 98 2HB ALA 98 5.302 -4.340 -19.091 724 HB3 ALA 98 3HB ALA 98 5.721 -5.104 -20.626 725 HA PRO 99 HA PRO 99 6.010 -10.180 -20.645 726 HB2 PRO 99 2HB PRO 99 4.011 -11.177 -22.095 727 HB3 PRO 99 1HB PRO 99 3.903 -11.120 -20.331 728 HG2 PRO 99 2HG PRO 99 2.637 -9.341 -22.365 729 HG3 PRO 99 1HG PRO 99 1.977 -9.956 -20.837 730 HD2 PRO 99 2HD PRO 99 3.085 -7.424 -21.225 731 HD3 PRO 99 1HD PRO 99 2.839 -8.221 -19.658 732 H GLY 100 H GLY 100 5.889 -7.442 -22.141 733 HA2 GLY 100 2HA GLY 100 7.087 -8.482 -24.570 734 HA3 GLY 100 1HA GLY 100 5.698 -7.415 -24.777 735 H GLY 101 H GLY 101 8.007 -7.110 -22.181 736 HA2 GLY 101 2HA GLY 101 9.270 -4.870 -23.509 737 HA3 GLY 101 1HA GLY 101 8.418 -4.556 -21.993 Start of MODEL 6 1 H1 SER 1 1HT SER 1 -19.459 -29.482 -12.033 2 H2 SER 1 2HT SER 1 -18.713 -28.358 -11.044 3 H3 SER 1 3HT SER 1 -18.551 -28.223 -12.721 4 HA SER 1 HA SER 1 -20.967 -27.893 -12.857 5 HB2 SER 1 2HB SER 1 -21.465 -29.033 -10.681 6 HB3 SER 1 1HB SER 1 -20.691 -27.701 -9.845 7 HG SER 1 HG SER 1 -23.189 -27.891 -10.851 8 H LYS 2 H LYS 2 -21.758 -25.717 -12.792 9 HA LYS 2 HA LYS 2 -19.733 -23.865 -13.386 10 HB2 LYS 2 2HB LYS 2 -21.951 -23.935 -14.413 11 HB3 LYS 2 1HB LYS 2 -22.671 -23.400 -12.909 12 HG2 LYS 2 2HG LYS 2 -21.463 -21.283 -13.086 13 HG3 LYS 2 1HG LYS 2 -20.748 -21.826 -14.605 14 HD2 LYS 2 2HD LYS 2 -23.699 -21.474 -14.082 15 HD3 LYS 2 1HD LYS 2 -22.676 -20.359 -14.989 16 HE2 LYS 2 2HE LYS 2 -22.248 -22.098 -16.665 17 HE3 LYS 2 1HE LYS 2 -23.211 -23.246 -15.745 18 HZ1 LYS 2 1HZ LYS 2 -24.215 -20.765 -17.009 19 HZ2 LYS 2 2HZ LYS 2 -25.143 -21.832 -16.096 20 HZ3 LYS 2 3HZ LYS 2 -24.485 -22.337 -17.557 21 H GLU 3 H GLU 3 -21.916 -24.064 -10.577 22 HA GLU 3 HA GLU 3 -21.014 -21.682 -9.385 23 HB2 GLU 3 2HB GLU 3 -23.120 -22.867 -8.771 24 HB3 GLU 3 1HB GLU 3 -22.140 -24.112 -8.007 25 HG2 GLU 3 2HG GLU 3 -21.245 -22.457 -6.458 26 HG3 GLU 3 1HG GLU 3 -22.258 -21.217 -7.197 27 H GLU 4 H GLU 4 -19.885 -24.992 -9.171 28 HA GLU 4 HA GLU 4 -17.994 -24.690 -7.093 29 HB2 GLU 4 2HB GLU 4 -17.849 -26.493 -9.504 30 HB3 GLU 4 1HB GLU 4 -16.826 -26.614 -8.085 31 HG2 GLU 4 2HG GLU 4 -18.767 -27.167 -6.741 32 HG3 GLU 4 1HG GLU 4 -19.797 -27.034 -8.171 33 H ASP 5 H ASP 5 -17.672 -24.526 -10.622 34 HA ASP 5 HA ASP 5 -14.975 -23.859 -10.662 35 HB2 ASP 5 2HB ASP 5 -17.146 -23.396 -12.691 36 HB3 ASP 5 1HB ASP 5 -15.506 -22.818 -12.965 37 H GLU 6 H GLU 6 -17.763 -21.764 -10.351 38 HA GLU 6 HA GLU 6 -16.353 -19.339 -10.520 39 HB2 GLU 6 2HB GLU 6 -18.909 -20.085 -9.134 40 HB3 GLU 6 1HB GLU 6 -18.266 -18.447 -9.065 41 HG2 GLU 6 2HG GLU 6 -18.919 -19.937 -11.593 42 HG3 GLU 6 1HG GLU 6 -19.970 -18.751 -10.820 43 H LYS 7 H LYS 7 -17.182 -21.299 -7.706 44 HA LYS 7 HA LYS 7 -15.913 -19.669 -5.790 45 HB2 LYS 7 2HB LYS 7 -16.591 -22.616 -5.745 46 HB3 LYS 7 1HB LYS 7 -16.016 -21.724 -4.338 47 HG2 LYS 7 2HG LYS 7 -17.939 -20.295 -4.380 48 HG3 LYS 7 1HG LYS 7 -18.475 -20.995 -5.904 49 HD2 LYS 7 2HD LYS 7 -18.888 -23.119 -4.793 50 HD3 LYS 7 1HD LYS 7 -18.268 -22.463 -3.272 51 HE2 LYS 7 2HE LYS 7 -20.023 -20.811 -3.222 52 HE3 LYS 7 1HE LYS 7 -20.621 -21.336 -4.787 53 HZ1 LYS 7 1HZ LYS 7 -20.587 -23.055 -2.363 54 HZ2 LYS 7 2HZ LYS 7 -21.377 -23.374 -3.846 55 HZ3 LYS 7 3HZ LYS 7 -21.896 -22.131 -2.864 56 H GLU 8 H GLU 8 -14.782 -22.417 -7.626 57 HA GLU 8 HA GLU 8 -12.181 -22.619 -6.601 58 HB2 GLU 8 2HB GLU 8 -13.222 -23.171 -9.375 59 HB3 GLU 8 1HB GLU 8 -11.616 -23.613 -8.824 60 HG2 GLU 8 2HG GLU 8 -14.187 -24.608 -7.626 61 HG3 GLU 8 1HG GLU 8 -13.196 -25.463 -8.814 62 H SER 9 H SER 9 -13.428 -20.797 -9.381 63 HA SER 9 HA SER 9 -10.960 -19.701 -10.135 64 HB2 SER 9 2HB SER 9 -13.739 -18.652 -10.692 65 HB3 SER 9 1HB SER 9 -12.263 -18.167 -11.532 66 HG SER 9 HG SER 9 -13.447 -20.745 -11.470 67 H GLN 10 H GLN 10 -13.375 -18.588 -7.827 68 HA GLN 10 HA GLN 10 -12.165 -16.059 -7.449 69 HB2 GLN 10 2HB GLN 10 -14.013 -17.656 -5.676 70 HB3 GLN 10 1HB GLN 10 -13.447 -16.038 -5.286 71 HG2 GLN 10 2HG GLN 10 -15.071 -16.801 -7.697 72 HG3 GLN 10 1HG GLN 10 -15.666 -15.984 -6.250 73 HE21 GLN 10 1HE2 GLN 10 -15.672 -15.105 -8.998 74 HE22 GLN 10 2HE2 GLN 10 -14.841 -13.604 -9.049 75 H ARG 11 H ARG 11 -11.718 -19.210 -5.967 76 HA ARG 11 HA ARG 11 -9.818 -18.400 -4.031 77 HB2 ARG 11 2HB ARG 11 -10.804 -20.645 -3.920 78 HB3 ARG 11 1HB ARG 11 -10.093 -21.055 -5.476 79 HG2 ARG 11 2HG ARG 11 -7.832 -20.730 -4.445 80 HG3 ARG 11 1HG ARG 11 -8.632 -20.544 -2.887 81 HD2 ARG 11 2HD ARG 11 -8.872 -22.965 -4.667 82 HD3 ARG 11 1HD ARG 11 -7.747 -22.829 -3.322 83 HE ARG 11 HE ARG 11 -9.649 -22.630 -1.862 84 HH11 ARG 11 1HH1 ARG 11 -10.152 -24.110 -5.043 85 HH12 ARG 11 2HH1 ARG 11 -11.562 -24.936 -4.655 86 HH21 ARG 11 1HH2 ARG 11 -11.549 -23.913 -1.210 87 HH22 ARG 11 2HH2 ARG 11 -12.344 -24.874 -2.357 88 H ILE 12 H ILE 12 -9.520 -19.571 -7.359 89 HA ILE 12 HA ILE 12 -6.742 -19.495 -7.631 90 HB ILE 12 HB ILE 12 -8.733 -18.785 -9.806 91 HG12 ILE 12 2HG1 ILE 12 -9.360 -20.947 -8.912 92 HG13 ILE 12 1HG1 ILE 12 -8.608 -21.182 -10.478 93 HG21 ILE 12 1HG2 ILE 12 -6.455 -18.202 -10.427 94 HG22 ILE 12 2HG2 ILE 12 -7.021 -19.565 -11.385 95 HG23 ILE 12 3HG2 ILE 12 -5.916 -19.835 -10.042 96 HD11 ILE 12 1HD1 ILE 12 -6.550 -21.905 -9.371 97 HD12 ILE 12 2HD1 ILE 12 -7.953 -22.865 -8.870 98 HD13 ILE 12 3HD1 ILE 12 -7.311 -21.626 -7.798 99 H ALA 13 H ALA 13 -9.122 -16.966 -8.291 100 HA ALA 13 HA ALA 13 -7.363 -14.965 -9.099 101 HB1 ALA 13 1HB ALA 13 -9.963 -14.617 -7.621 102 HB2 ALA 13 2HB ALA 13 -9.800 -14.857 -9.358 103 HB3 ALA 13 3HB ALA 13 -9.149 -13.399 -8.607 104 H SER 14 H SER 14 -8.589 -15.704 -5.854 105 HA SER 14 HA SER 14 -7.268 -13.620 -4.519 106 HB2 SER 14 2HB SER 14 -8.081 -16.336 -3.443 107 HB3 SER 14 1HB SER 14 -7.710 -14.910 -2.473 108 HG SER 14 HG SER 14 -9.865 -15.272 -4.289 109 H LYS 15 H LYS 15 -6.308 -16.969 -5.179 110 HA LYS 15 HA LYS 15 -3.816 -16.990 -3.883 111 HB2 LYS 15 2HB LYS 15 -4.726 -18.450 -6.365 112 HB3 LYS 15 1HB LYS 15 -3.203 -18.749 -5.551 113 HG2 LYS 15 2HG LYS 15 -4.385 -19.499 -3.576 114 HG3 LYS 15 1HG LYS 15 -5.931 -19.116 -4.341 115 HD2 LYS 15 2HD LYS 15 -5.450 -21.500 -4.471 116 HD3 LYS 15 1HD LYS 15 -5.483 -20.771 -6.084 117 HE2 LYS 15 2HE LYS 15 -3.003 -20.697 -6.034 118 HE3 LYS 15 1HE LYS 15 -3.042 -21.502 -4.467 119 HZ1 LYS 15 1HZ LYS 15 -4.168 -22.640 -6.967 120 HZ2 LYS 15 2HZ LYS 15 -3.997 -23.442 -5.488 121 HZ3 LYS 15 3HZ LYS 15 -2.645 -22.995 -6.374 122 H ASN 16 H ASN 16 -4.725 -16.234 -7.180 123 HA ASN 16 HA ASN 16 -2.202 -15.850 -8.260 124 HB2 ASN 16 2HB ASN 16 -4.407 -16.079 -9.476 125 HB3 ASN 16 1HB ASN 16 -4.697 -14.385 -9.093 126 HD21 ASN 16 1HD2 ASN 16 -2.917 -16.605 -10.971 127 HD22 ASN 16 2HD2 ASN 16 -2.189 -15.462 -12.040 128 H GLN 17 H GLN 17 -4.453 -13.485 -6.875 129 HA GLN 17 HA GLN 17 -2.794 -11.234 -7.261 130 HB2 GLN 17 2HB GLN 17 -4.943 -11.683 -5.185 131 HB3 GLN 17 1HB GLN 17 -4.191 -10.134 -5.532 132 HG2 GLN 17 2HG GLN 17 -5.072 -10.187 -7.786 133 HG3 GLN 17 1HG GLN 17 -5.778 -11.774 -7.486 134 HE21 GLN 17 1HE2 GLN 17 -5.762 -9.169 -5.149 135 HE22 GLN 17 2HE2 GLN 17 -7.459 -8.885 -5.172 136 H LEU 18 H LEU 18 -3.270 -13.328 -4.464 137 HA LEU 18 HA LEU 18 -1.530 -12.044 -2.710 138 HB2 LEU 18 2HB LEU 18 -3.243 -13.664 -2.035 139 HB3 LEU 18 1HB LEU 18 -2.433 -14.932 -2.903 140 HG LEU 18 HG LEU 18 -2.314 -14.984 -0.377 141 HD11 LEU 18 1HD1 LEU 18 -0.018 -15.742 -0.304 142 HD12 LEU 18 2HD1 LEU 18 0.249 -15.069 -1.917 143 HD13 LEU 18 3HD1 LEU 18 -0.913 -16.378 -1.675 144 HD21 LEU 18 1HD2 LEU 18 -0.333 -12.740 -0.807 145 HD22 LEU 18 2HD2 LEU 18 -0.579 -13.591 0.709 146 HD23 LEU 18 3HD2 LEU 18 -1.870 -12.611 0.035 147 H GLU 19 H GLU 19 -0.933 -14.642 -5.022 148 HA GLU 19 HA GLU 19 1.784 -15.067 -4.470 149 HB2 GLU 19 2HB GLU 19 0.381 -16.635 -5.746 150 HB3 GLU 19 1HB GLU 19 0.225 -15.457 -7.031 151 HG2 GLU 19 2HG GLU 19 2.609 -15.602 -7.467 152 HG3 GLU 19 1HG GLU 19 2.780 -16.781 -6.168 153 H SER 20 H SER 20 0.188 -13.052 -6.928 154 HA SER 20 HA SER 20 2.505 -12.042 -8.135 155 HB2 SER 20 2HB SER 20 -0.227 -10.745 -7.953 156 HB3 SER 20 1HB SER 20 1.022 -10.360 -9.135 157 HG SER 20 HG SER 20 -0.547 -12.669 -8.859 158 H ILE 21 H ILE 21 0.529 -10.765 -5.467 159 HA ILE 21 HA ILE 21 1.947 -8.386 -5.204 160 HB ILE 21 HB ILE 21 0.124 -9.837 -3.302 161 HG12 ILE 21 2HG1 ILE 21 -0.110 -7.367 -5.026 162 HG13 ILE 21 1HG1 ILE 21 -0.855 -8.928 -5.329 163 HG21 ILE 21 1HG2 ILE 21 1.711 -8.536 -1.954 164 HG22 ILE 21 2HG2 ILE 21 0.114 -7.783 -1.929 165 HG23 ILE 21 3HG2 ILE 21 1.395 -7.112 -2.944 166 HD11 ILE 21 1HD1 ILE 21 -2.201 -8.660 -3.341 167 HD12 ILE 21 2HD1 ILE 21 -2.412 -7.306 -4.479 168 HD13 ILE 21 3HD1 ILE 21 -1.394 -7.116 -3.042 169 H ALA 22 H ALA 22 2.396 -11.564 -3.688 170 HA ALA 22 HA ALA 22 4.425 -10.796 -1.904 171 HB1 ALA 22 1HB ALA 22 5.054 -13.187 -1.861 172 HB2 ALA 22 2HB ALA 22 4.043 -13.477 -3.275 173 HB3 ALA 22 3HB ALA 22 3.309 -12.994 -1.752 174 H TYR 23 H TYR 23 4.545 -11.773 -5.308 175 HA TYR 23 HA TYR 23 7.369 -11.553 -5.510 176 HB2 TYR 23 2HB TYR 23 5.269 -11.396 -7.686 177 HB3 TYR 23 1HB TYR 23 6.999 -11.418 -7.991 178 HD1 TYR 23 1HD TYR 23 7.991 -13.488 -6.200 179 HD2 TYR 23 2HD TYR 23 4.396 -13.398 -8.473 180 HE1 TYR 23 1HE TYR 23 7.969 -15.938 -6.252 181 HE2 TYR 23 2HE TYR 23 4.373 -15.854 -8.520 182 HH TYR 23 HH TYR 23 5.985 -17.688 -8.320 183 H SER 24 H SER 24 4.748 -9.266 -5.932 184 HA SER 24 HA SER 24 6.185 -7.132 -7.043 185 HB2 SER 24 2HB SER 24 3.838 -6.974 -5.129 186 HB3 SER 24 1HB SER 24 4.374 -5.704 -6.226 187 HG SER 24 HG SER 24 3.671 -8.241 -7.275 188 H LEU 25 H LEU 25 5.506 -7.948 -3.645 189 HA LEU 25 HA LEU 25 6.838 -5.902 -2.306 190 HB2 LEU 25 2HB LEU 25 6.174 -8.717 -1.684 191 HB3 LEU 25 1HB LEU 25 7.441 -8.014 -0.735 192 HG LEU 25 HG LEU 25 5.281 -7.858 0.402 193 HD11 LEU 25 1HD1 LEU 25 5.350 -5.501 0.979 194 HD12 LEU 25 2HD1 LEU 25 6.353 -5.173 -0.428 195 HD13 LEU 25 3HD1 LEU 25 6.966 -6.191 0.874 196 HD21 LEU 25 1HD2 LEU 25 3.807 -7.685 -1.531 197 HD22 LEU 25 2HD2 LEU 25 4.458 -6.091 -1.902 198 HD23 LEU 25 3HD2 LEU 25 3.533 -6.343 -0.419 199 H LYS 26 H LYS 26 8.144 -9.020 -3.320 200 HA LYS 26 HA LYS 26 10.720 -8.522 -2.376 201 HB2 LYS 26 2HB LYS 26 9.827 -10.361 -4.577 202 HB3 LYS 26 1HB LYS 26 11.445 -10.368 -3.882 203 HG2 LYS 26 2HG LYS 26 10.416 -10.855 -1.673 204 HG3 LYS 26 1HG LYS 26 8.857 -10.999 -2.476 205 HD2 LYS 26 2HD LYS 26 11.319 -12.652 -3.101 206 HD3 LYS 26 1HD LYS 26 9.967 -13.189 -2.113 207 HE2 LYS 26 2HE LYS 26 8.473 -13.056 -4.018 208 HE3 LYS 26 1HE LYS 26 9.758 -12.366 -5.010 209 HZ1 LYS 26 1HZ LYS 26 10.975 -14.374 -4.865 210 HZ2 LYS 26 2HZ LYS 26 9.436 -14.804 -5.373 211 HZ3 LYS 26 3HZ LYS 26 9.911 -15.039 -3.756 212 H ASN 27 H ASN 27 9.331 -7.941 -5.562 213 HA ASN 27 HA ASN 27 11.733 -7.031 -6.718 214 HB2 ASN 27 2HB ASN 27 8.874 -6.388 -7.449 215 HB3 ASN 27 1HB ASN 27 10.260 -5.854 -8.391 216 HD21 ASN 27 1HD2 ASN 27 8.071 -7.523 -9.181 217 HD22 ASN 27 2HD2 ASN 27 8.738 -9.027 -9.697 218 H THR 28 H THR 28 9.130 -5.316 -5.055 219 HA THR 28 HA THR 28 10.108 -2.720 -5.400 220 HB THR 28 HB THR 28 8.497 -3.836 -3.090 221 HG1 THR 28 1HG THR 28 7.783 -3.819 -5.476 222 HG21 THR 28 1HG2 THR 28 8.813 -0.969 -4.018 223 HG22 THR 28 2HG2 THR 28 9.484 -1.649 -2.540 224 HG23 THR 28 3HG2 THR 28 7.736 -1.521 -2.734 225 H ILE 29 H ILE 29 10.817 -5.133 -2.920 226 HA ILE 29 HA ILE 29 12.460 -3.394 -1.362 227 HB ILE 29 HB ILE 29 12.520 -6.440 -1.356 228 HG12 ILE 29 2HG1 ILE 29 10.232 -5.632 -0.952 229 HG13 ILE 29 1HG1 ILE 29 10.929 -6.310 0.508 230 HG21 ILE 29 1HG2 ILE 29 13.378 -6.201 0.881 231 HG22 ILE 29 2HG2 ILE 29 13.322 -4.442 0.711 232 HG23 ILE 29 3HG2 ILE 29 14.419 -5.386 -0.299 233 HD11 ILE 29 1HD1 ILE 29 9.659 -4.305 0.994 234 HD12 ILE 29 2HD1 ILE 29 10.643 -3.382 -0.141 235 HD13 ILE 29 3HD1 ILE 29 11.370 -4.042 1.326 236 H SER 30 H SER 30 13.053 -5.741 -3.905 237 HA SER 30 HA SER 30 15.856 -5.665 -3.807 238 HB2 SER 30 2HB SER 30 14.382 -7.403 -4.947 239 HB3 SER 30 1HB SER 30 14.119 -6.226 -6.228 240 HG SER 30 HG SER 30 15.754 -7.344 -6.952 241 H GLU 31 H GLU 31 13.436 -3.715 -5.475 242 HA GLU 31 HA GLU 31 15.306 -2.102 -6.890 243 HB2 GLU 31 2HB GLU 31 12.380 -1.747 -6.287 244 HB3 GLU 31 1HB GLU 31 13.313 -0.594 -7.235 245 HG2 GLU 31 2HG GLU 31 12.971 -3.503 -7.913 246 HG3 GLU 31 1HG GLU 31 12.031 -2.185 -8.611 247 H ALA 32 H ALA 32 13.877 -1.983 -3.750 248 HA ALA 32 HA ALA 32 14.601 0.688 -3.139 249 HB1 ALA 32 1HB ALA 32 14.263 -1.672 -1.279 250 HB2 ALA 32 2HB ALA 32 12.987 -0.567 -1.786 251 HB3 ALA 32 3HB ALA 32 14.315 0.020 -0.787 252 H GLY 33 H GLY 33 16.143 -2.438 -2.582 253 HA2 GLY 33 2HA GLY 33 18.342 -3.032 -2.438 254 HA3 GLY 33 1HA GLY 33 18.720 -1.501 -3.212 255 H ASP 34 H ASP 34 19.445 0.171 -2.013 256 HA ASP 34 HA ASP 34 20.342 -0.489 0.672 257 HB2 ASP 34 2HB ASP 34 21.001 1.850 -1.122 258 HB3 ASP 34 1HB ASP 34 21.595 1.674 0.520 259 H LYS 35 H LYS 35 17.782 1.202 -0.793 260 HA LYS 35 HA LYS 35 17.450 3.332 1.052 261 HB2 LYS 35 2HB LYS 35 15.238 1.887 -0.427 262 HB3 LYS 35 1HB LYS 35 15.116 3.465 0.319 263 HG2 LYS 35 2HG LYS 35 16.745 2.710 -2.094 264 HG3 LYS 35 1HG LYS 35 15.290 3.704 -2.052 265 HD2 LYS 35 2HD LYS 35 16.503 5.388 -0.733 266 HD3 LYS 35 1HD LYS 35 17.957 4.386 -0.817 267 HE2 LYS 35 2HE LYS 35 17.786 4.494 -3.296 268 HE3 LYS 35 1HE LYS 35 16.485 5.664 -3.101 269 HZ1 LYS 35 1HZ LYS 35 18.609 6.765 -3.462 270 HZ2 LYS 35 2HZ LYS 35 19.266 5.987 -2.127 271 HZ3 LYS 35 3HZ LYS 35 18.046 7.113 -1.908 272 H LEU 36 H LEU 36 16.806 -0.007 1.268 273 HA LEU 36 HA LEU 36 15.385 0.406 3.793 274 HB2 LEU 36 2HB LEU 36 14.093 -0.725 1.967 275 HB3 LEU 36 1HB LEU 36 15.293 -2.002 1.977 276 HG LEU 36 HG LEU 36 14.707 -2.451 4.348 277 HD11 LEU 36 1HD1 LEU 36 13.785 -0.278 4.921 278 HD12 LEU 36 2HD1 LEU 36 12.624 -1.561 5.225 279 HD13 LEU 36 3HD1 LEU 36 12.448 -0.538 3.799 280 HD21 LEU 36 1HD2 LEU 36 12.495 -2.646 2.327 281 HD22 LEU 36 2HD2 LEU 36 12.578 -3.555 3.839 282 HD23 LEU 36 3HD2 LEU 36 13.796 -3.813 2.587 283 H GLU 37 H GLU 37 15.986 -1.093 5.487 284 HA GLU 37 HA GLU 37 18.793 -1.620 5.446 285 HB2 GLU 37 2HB GLU 37 16.699 -1.863 7.591 286 HB3 GLU 37 1HB GLU 37 18.408 -2.197 7.843 287 HG2 GLU 37 2HG GLU 37 18.995 0.063 7.316 288 HG3 GLU 37 1HG GLU 37 17.339 0.428 6.846 289 H GLN 38 H GLN 38 19.700 -3.619 6.152 290 HA GLN 38 HA GLN 38 18.987 -5.688 4.437 291 HB2 GLN 38 2HB GLN 38 21.268 -5.293 5.291 292 HB3 GLN 38 1HB GLN 38 20.767 -5.897 6.866 293 HG2 GLN 38 2HG GLN 38 21.932 -7.633 5.671 294 HG3 GLN 38 1HG GLN 38 20.229 -8.070 5.826 295 HE21 GLN 38 1HE2 GLN 38 22.758 -7.184 3.656 296 HE22 GLN 38 2HE2 GLN 38 21.873 -7.481 2.206 297 H ALA 39 H ALA 39 18.506 -5.505 7.972 298 HA ALA 39 HA ALA 39 17.462 -8.120 8.151 299 HB1 ALA 39 1HB ALA 39 16.770 -7.537 10.411 300 HB2 ALA 39 2HB ALA 39 17.024 -5.829 10.065 301 HB3 ALA 39 3HB ALA 39 18.396 -6.935 10.093 302 H ASP 40 H ASP 40 15.974 -5.031 7.490 303 HA ASP 40 HA ASP 40 13.278 -5.947 7.772 304 HB2 ASP 40 2HB ASP 40 14.291 -3.679 6.036 305 HB3 ASP 40 1HB ASP 40 12.614 -3.982 6.445 306 H LYS 41 H LYS 41 15.515 -5.538 5.099 307 HA LYS 41 HA LYS 41 13.968 -6.293 2.931 308 HB2 LYS 41 2HB LYS 41 16.186 -5.385 2.697 309 HB3 LYS 41 1HB LYS 41 16.898 -6.809 3.441 310 HG2 LYS 41 2HG LYS 41 16.081 -8.172 1.524 311 HG3 LYS 41 1HG LYS 41 15.486 -6.709 0.757 312 HD2 LYS 41 2HD LYS 41 18.368 -7.297 1.479 313 HD3 LYS 41 1HD LYS 41 17.677 -7.327 -0.141 314 HE2 LYS 41 2HE LYS 41 17.229 -4.951 -0.034 315 HE3 LYS 41 1HE LYS 41 17.776 -4.892 1.639 316 HZ1 LYS 41 1HZ LYS 41 19.492 -4.101 0.240 317 HZ2 LYS 41 2HZ LYS 41 19.446 -5.461 -0.746 318 HZ3 LYS 41 3HZ LYS 41 19.984 -5.588 0.842 319 H ASP 42 H ASP 42 15.965 -8.343 4.994 320 HA ASP 42 HA ASP 42 15.322 -10.816 3.807 321 HB2 ASP 42 2HB ASP 42 17.180 -10.647 5.356 322 HB3 ASP 42 1HB ASP 42 16.092 -10.159 6.653 323 H THR 43 H THR 43 13.880 -9.182 6.571 324 HA THR 43 HA THR 43 12.046 -11.172 7.168 325 HB THR 43 HB THR 43 11.797 -8.205 7.685 326 HG1 THR 43 1HG THR 43 13.623 -8.790 8.652 327 HG21 THR 43 1HG2 THR 43 10.409 -8.901 9.603 328 HG22 THR 43 2HG2 THR 43 10.567 -10.588 9.113 329 HG23 THR 43 3HG2 THR 43 9.690 -9.452 8.089 330 H VAL 44 H VAL 44 11.553 -8.308 5.075 331 HA VAL 44 HA VAL 44 8.865 -9.021 4.517 332 HB VAL 44 HB VAL 44 9.203 -7.623 2.392 333 HG11 VAL 44 1HG1 VAL 44 7.946 -6.887 4.369 334 HG12 VAL 44 2HG1 VAL 44 8.901 -5.540 3.743 335 HG13 VAL 44 3HG1 VAL 44 9.452 -6.434 5.164 336 HG21 VAL 44 1HG2 VAL 44 10.969 -5.911 2.598 337 HG22 VAL 44 2HG2 VAL 44 11.603 -7.543 2.358 338 HG23 VAL 44 3HG2 VAL 44 11.636 -6.809 3.959 339 H THR 45 H THR 45 11.771 -9.533 2.585 340 HA THR 45 HA THR 45 10.376 -10.793 0.523 341 HB THR 45 HB THR 45 12.500 -11.652 -0.206 342 HG1 THR 45 1HG THR 45 13.692 -10.180 1.958 343 HG21 THR 45 1HG2 THR 45 12.527 -8.726 0.549 344 HG22 THR 45 2HG2 THR 45 11.827 -9.429 -0.907 345 HG23 THR 45 3HG2 THR 45 13.574 -9.449 -0.670 346 H LYS 46 H LYS 46 12.054 -12.127 3.336 347 HA LYS 46 HA LYS 46 11.594 -14.826 2.673 348 HB2 LYS 46 2HB LYS 46 13.280 -14.096 4.327 349 HB3 LYS 46 1HB LYS 46 12.020 -13.545 5.396 350 HG2 LYS 46 2HG LYS 46 12.311 -16.440 4.596 351 HG3 LYS 46 1HG LYS 46 13.201 -15.736 5.941 352 HD2 LYS 46 2HD LYS 46 10.187 -15.815 5.689 353 HD3 LYS 46 1HD LYS 46 11.155 -16.931 6.649 354 HE2 LYS 46 2HE LYS 46 11.013 -13.931 7.073 355 HE3 LYS 46 1HE LYS 46 10.146 -15.142 8.005 356 HZ1 LYS 46 1HZ LYS 46 12.163 -14.383 9.110 357 HZ2 LYS 46 2HZ LYS 46 13.122 -14.959 7.858 358 HZ3 LYS 46 3HZ LYS 46 12.214 -16.025 8.792 359 H LYS 47 H LYS 47 9.641 -12.446 4.412 360 HA LYS 47 HA LYS 47 7.590 -14.225 5.164 361 HB2 LYS 47 2HB LYS 47 7.852 -11.915 6.106 362 HB3 LYS 47 1HB LYS 47 7.411 -11.251 4.547 363 HG2 LYS 47 2HG LYS 47 5.525 -11.115 6.040 364 HG3 LYS 47 1HG LYS 47 5.179 -12.295 4.776 365 HD2 LYS 47 2HD LYS 47 5.815 -14.101 6.334 366 HD3 LYS 47 1HD LYS 47 6.079 -12.892 7.592 367 HE2 LYS 47 2HE LYS 47 3.743 -12.248 7.482 368 HE3 LYS 47 1HE LYS 47 3.475 -13.387 6.163 369 HZ1 LYS 47 1HZ LYS 47 4.187 -14.081 8.972 370 HZ2 LYS 47 2HZ LYS 47 4.158 -15.173 7.700 371 HZ3 LYS 47 3HZ LYS 47 2.733 -14.394 8.149 372 H ALA 48 H ALA 48 8.221 -12.365 2.268 373 HA ALA 48 HA ALA 48 5.821 -13.014 0.906 374 HB1 ALA 48 1HB ALA 48 7.066 -12.330 -1.131 375 HB2 ALA 48 2HB ALA 48 8.565 -12.302 -0.190 376 HB3 ALA 48 3HB ALA 48 7.271 -11.173 0.182 377 H GLU 49 H GLU 49 8.978 -14.560 1.039 378 HA GLU 49 HA GLU 49 8.417 -16.655 -0.773 379 HB2 GLU 49 2HB GLU 49 10.329 -16.689 1.568 380 HB3 GLU 49 1HB GLU 49 10.328 -17.799 0.203 381 HG2 GLU 49 2HG GLU 49 10.794 -14.836 -0.017 382 HG3 GLU 49 1HG GLU 49 12.071 -16.039 0.105 383 H GLU 50 H GLU 50 7.923 -16.307 2.711 384 HA GLU 50 HA GLU 50 7.121 -19.005 3.068 385 HB2 GLU 50 2HB GLU 50 6.657 -18.442 5.375 386 HB3 GLU 50 1HB GLU 50 7.952 -17.368 4.894 387 HG2 GLU 50 2HG GLU 50 6.714 -15.934 6.035 388 HG3 GLU 50 1HG GLU 50 5.992 -15.708 4.442 389 H THR 51 H THR 51 5.564 -16.066 2.218 390 HA THR 51 HA THR 51 2.937 -16.914 2.403 391 HB THR 51 HB THR 51 4.212 -14.833 0.668 392 HG1 THR 51 1HG THR 51 4.420 -14.446 2.905 393 HG21 THR 51 1HG2 THR 51 2.035 -15.392 -0.207 394 HG22 THR 51 2HG2 THR 51 1.985 -13.800 0.557 395 HG23 THR 51 3HG2 THR 51 1.318 -15.206 1.391 396 H ILE 52 H ILE 52 5.257 -17.003 -0.246 397 HA ILE 52 HA ILE 52 3.644 -18.132 -2.272 398 HB ILE 52 HB ILE 52 6.613 -18.585 -1.811 399 HG12 ILE 52 2HG1 ILE 52 6.136 -16.189 -1.966 400 HG13 ILE 52 1HG1 ILE 52 7.006 -16.733 -3.390 401 HG21 ILE 52 1HG2 ILE 52 6.753 -19.028 -4.225 402 HG22 ILE 52 2HG2 ILE 52 4.997 -18.903 -4.327 403 HG23 ILE 52 3HG2 ILE 52 5.734 -20.196 -3.379 404 HD11 ILE 52 1HD1 ILE 52 4.063 -16.155 -3.189 405 HD12 ILE 52 2HD1 ILE 52 4.890 -16.759 -4.631 406 HD13 ILE 52 3HD1 ILE 52 5.294 -15.167 -3.981 407 H SER 53 H SER 53 5.776 -19.613 0.123 408 HA SER 53 HA SER 53 5.383 -22.287 -0.570 409 HB2 SER 53 2HB SER 53 6.067 -21.123 2.128 410 HB3 SER 53 1HB SER 53 6.414 -22.771 1.585 411 HG SER 53 HG SER 53 7.597 -20.337 0.839 412 H TRP 54 H TRP 54 3.716 -20.205 1.764 413 HA TRP 54 HA TRP 54 2.010 -22.080 2.899 414 HB2 TRP 54 2HB TRP 54 2.326 -19.743 3.721 415 HB3 TRP 54 1HB TRP 54 1.415 -19.160 2.350 416 HD1 TRP 54 HD TRP 54 0.965 -20.945 5.694 417 HE1 TRP 54 1HE TRP 54 -1.526 -20.968 6.321 418 HE3 TRP 54 3HE TRP 54 -1.004 -19.144 1.331 419 HZ2 TRP 54 2HZ TRP 54 -4.007 -20.326 5.124 420 HZ3 TRP 54 3HZ TRP 54 -3.440 -18.882 1.166 421 HH2 TRP 54 HH TRP 54 -4.903 -19.455 3.022 422 H LEU 55 H LEU 55 1.572 -20.000 0.072 423 HA LEU 55 HA LEU 55 -1.051 -20.751 -0.500 424 HB2 LEU 55 2HB LEU 55 -0.087 -18.723 -1.401 425 HB3 LEU 55 1HB LEU 55 1.133 -19.629 -2.253 426 HG LEU 55 HG LEU 55 -1.781 -19.923 -3.006 427 HD11 LEU 55 1HD1 LEU 55 0.168 -17.801 -3.870 428 HD12 LEU 55 2HD1 LEU 55 -1.409 -17.572 -3.079 429 HD13 LEU 55 3HD1 LEU 55 -1.322 -18.201 -4.714 430 HD21 LEU 55 1HD2 LEU 55 -0.148 -21.503 -3.972 431 HD22 LEU 55 2HD2 LEU 55 0.776 -20.137 -4.610 432 HD23 LEU 55 3HD2 LEU 55 -0.866 -20.446 -5.183 433 H ASP 56 H ASP 56 1.968 -22.221 -1.440 434 HA ASP 56 HA ASP 56 0.751 -23.969 -3.337 435 HB2 ASP 56 2HB ASP 56 3.135 -23.368 -3.492 436 HB3 ASP 56 1HB ASP 56 3.440 -24.202 -1.974 437 H SER 57 H SER 57 1.398 -24.049 0.051 438 HA SER 57 HA SER 57 0.989 -26.866 0.262 439 HB2 SER 57 2HB SER 57 1.321 -24.794 2.438 440 HB3 SER 57 1HB SER 57 1.473 -26.545 2.626 441 HG SER 57 HG SER 57 3.157 -24.730 1.289 442 H ASN 58 H ASN 58 -0.731 -23.885 1.128 443 HA ASN 58 HA ASN 58 -3.047 -25.438 1.975 444 HB2 ASN 58 2HB ASN 58 -2.200 -22.592 2.489 445 HB3 ASN 58 1HB ASN 58 -3.852 -23.111 2.771 446 HD21 ASN 58 1HD2 ASN 58 -0.546 -23.317 3.861 447 HD22 ASN 58 2HD2 ASN 58 -0.900 -24.057 5.363 448 H THR 59 H THR 59 -2.392 -25.294 -0.688 449 HA THR 59 HA THR 59 -3.646 -23.302 -2.163 450 HB THR 59 HB THR 59 -2.007 -24.804 -3.153 451 HG1 THR 59 1HG THR 59 -3.952 -25.620 -4.799 452 HG21 THR 59 1HG2 THR 59 -2.563 -27.130 -3.750 453 HG22 THR 59 2HG2 THR 59 -4.104 -26.967 -2.911 454 HG23 THR 59 3HG2 THR 59 -2.593 -26.886 -2.000 455 H THR 60 H THR 60 -5.059 -25.996 -0.484 456 HA THR 60 HA THR 60 -7.565 -25.860 -1.913 457 HB THR 60 HB THR 60 -8.113 -27.713 -0.266 458 HG1 THR 60 1HG THR 60 -6.724 -27.600 1.333 459 HG21 THR 60 1HG2 THR 60 -7.358 -28.154 -2.577 460 HG22 THR 60 2HG2 THR 60 -6.755 -29.371 -1.453 461 HG23 THR 60 3HG2 THR 60 -5.680 -28.097 -2.031 462 H ALA 61 H ALA 61 -6.348 -23.796 0.211 463 HA ALA 61 HA ALA 61 -8.304 -23.855 2.315 464 HB1 ALA 61 1HB ALA 61 -7.243 -21.781 3.066 465 HB2 ALA 61 2HB ALA 61 -6.296 -21.717 1.578 466 HB3 ALA 61 3HB ALA 61 -6.040 -23.025 2.733 467 H SER 62 H SER 62 -9.434 -21.637 2.765 468 HA SER 62 HA SER 62 -11.176 -21.214 0.526 469 HB2 SER 62 2HB SER 62 -11.074 -20.005 3.292 470 HB3 SER 62 1HB SER 62 -12.359 -19.688 2.123 471 HG SER 62 HG SER 62 -12.031 -21.787 3.775 472 H LYS 63 H LYS 63 -11.588 -19.132 -0.443 473 HA LYS 63 HA LYS 63 -9.236 -17.802 -1.240 474 HB2 LYS 63 2HB LYS 63 -10.672 -16.314 -2.504 475 HB3 LYS 63 1HB LYS 63 -11.323 -17.937 -2.603 476 HG2 LYS 63 2HG LYS 63 -12.914 -17.270 -0.754 477 HG3 LYS 63 1HG LYS 63 -12.348 -15.626 -1.007 478 HD2 LYS 63 2HD LYS 63 -13.027 -15.732 -3.335 479 HD3 LYS 63 1HD LYS 63 -13.609 -17.385 -3.099 480 HE2 LYS 63 2HE LYS 63 -14.665 -14.866 -1.818 481 HE3 LYS 63 1HE LYS 63 -15.486 -15.879 -3.001 482 HZ1 LYS 63 1HZ LYS 63 -16.349 -16.355 -0.871 483 HZ2 LYS 63 2HZ LYS 63 -14.840 -16.469 -0.194 484 HZ3 LYS 63 3HZ LYS 63 -15.381 -17.701 -1.251 485 H GLU 64 H GLU 64 -11.554 -17.208 1.249 486 HA GLU 64 HA GLU 64 -10.934 -14.660 2.124 487 HB2 GLU 64 2HB GLU 64 -11.810 -17.136 3.609 488 HB3 GLU 64 1HB GLU 64 -11.595 -15.596 4.407 489 HG2 GLU 64 2HG GLU 64 -13.935 -16.091 3.898 490 HG3 GLU 64 1HG GLU 64 -13.372 -14.621 3.115 491 H GLU 65 H GLU 65 -9.310 -17.718 2.743 492 HA GLU 65 HA GLU 65 -7.631 -16.708 4.793 493 HB2 GLU 65 2HB GLU 65 -7.430 -19.229 3.167 494 HB3 GLU 65 1HB GLU 65 -6.451 -18.859 4.581 495 HG2 GLU 65 2HG GLU 65 -8.449 -18.752 5.955 496 HG3 GLU 65 1HG GLU 65 -9.439 -19.109 4.540 497 H PHE 66 H PHE 66 -7.332 -17.049 1.343 498 HA PHE 66 HA PHE 66 -4.564 -16.416 1.306 499 HB2 PHE 66 2HB PHE 66 -6.652 -16.191 -0.883 500 HB3 PHE 66 1HB PHE 66 -4.934 -15.897 -1.137 501 HD1 PHE 66 1HD PHE 66 -7.499 -18.422 -0.585 502 HD2 PHE 66 2HD PHE 66 -3.330 -17.739 -1.035 503 HE1 PHE 66 1HE PHE 66 -7.153 -20.826 -0.938 504 HE2 PHE 66 2HE PHE 66 -2.976 -20.152 -1.384 505 HZ PHE 66 HZ PHE 66 -4.891 -21.695 -1.335 506 H ASP 67 H ASP 67 -7.515 -14.553 1.277 507 HA ASP 67 HA ASP 67 -6.250 -12.011 0.984 508 HB2 ASP 67 2HB ASP 67 -8.681 -12.312 0.583 509 HB3 ASP 67 1HB ASP 67 -8.909 -12.699 2.284 510 H ASP 68 H ASP 68 -6.899 -14.144 3.655 511 HA ASP 68 HA ASP 68 -6.185 -12.331 5.727 512 HB2 ASP 68 2HB ASP 68 -6.189 -15.360 5.735 513 HB3 ASP 68 1HB ASP 68 -5.814 -14.395 7.156 514 H LYS 69 H LYS 69 -4.363 -14.736 3.945 515 HA LYS 69 HA LYS 69 -1.917 -14.193 5.141 516 HB2 LYS 69 2HB LYS 69 -2.732 -15.482 2.623 517 HB3 LYS 69 1HB LYS 69 -1.085 -14.858 2.665 518 HG2 LYS 69 2HG LYS 69 -2.236 -16.687 4.750 519 HG3 LYS 69 1HG LYS 69 -1.309 -17.239 3.348 520 HD2 LYS 69 2HD LYS 69 0.622 -15.965 4.066 521 HD3 LYS 69 1HD LYS 69 -0.279 -15.272 5.409 522 HE2 LYS 69 2HE LYS 69 -0.538 -17.508 6.369 523 HE3 LYS 69 1HE LYS 69 0.373 -18.184 5.024 524 HZ1 LYS 69 1HZ LYS 69 1.408 -16.191 6.951 525 HZ2 LYS 69 2HZ LYS 69 2.337 -16.987 5.760 526 HZ3 LYS 69 3HZ LYS 69 1.683 -17.840 7.053 527 H LEU 70 H LEU 70 -3.491 -12.651 2.443 528 HA LEU 70 HA LEU 70 -1.444 -10.880 1.764 529 HB2 LEU 70 2HB LEU 70 -3.471 -11.249 0.403 530 HB3 LEU 70 1HB LEU 70 -4.428 -10.452 1.629 531 HG LEU 70 HG LEU 70 -3.296 -8.330 1.165 532 HD11 LEU 70 1HD1 LEU 70 -1.128 -9.183 0.470 533 HD12 LEU 70 2HD1 LEU 70 -1.809 -8.128 -0.762 534 HD13 LEU 70 3HD1 LEU 70 -1.848 -9.878 -0.983 535 HD21 LEU 70 1HD2 LEU 70 -4.380 -9.681 -1.306 536 HD22 LEU 70 2HD2 LEU 70 -4.243 -7.941 -1.054 537 HD23 LEU 70 3HD2 LEU 70 -5.335 -8.897 -0.053 538 H LYS 71 H LYS 71 -3.891 -10.707 4.280 539 HA LYS 71 HA LYS 71 -3.213 -8.030 4.969 540 HB2 LYS 71 2HB LYS 71 -4.928 -10.024 6.432 541 HB3 LYS 71 1HB LYS 71 -4.671 -8.372 6.981 542 HG2 LYS 71 2HG LYS 71 -5.607 -7.571 4.813 543 HG3 LYS 71 1HG LYS 71 -5.992 -9.245 4.418 544 HD2 LYS 71 2HD LYS 71 -7.049 -7.706 6.801 545 HD3 LYS 71 1HD LYS 71 -7.935 -8.026 5.315 546 HE2 LYS 71 2HE LYS 71 -6.906 -10.114 7.238 547 HE3 LYS 71 1HE LYS 71 -8.572 -9.558 7.114 548 HZ1 LYS 71 1HZ LYS 71 -7.056 -10.919 4.953 549 HZ2 LYS 71 2HZ LYS 71 -8.638 -10.438 4.842 550 HZ3 LYS 71 3HZ LYS 71 -8.203 -11.653 5.949 551 H GLU 72 H GLU 72 -2.315 -11.203 6.359 552 HA GLU 72 HA GLU 72 -0.776 -9.907 8.387 553 HB2 GLU 72 2HB GLU 72 0.297 -12.086 8.841 554 HB3 GLU 72 1HB GLU 72 -1.451 -12.214 8.803 555 HG2 GLU 72 2HG GLU 72 -1.438 -13.298 6.765 556 HG3 GLU 72 1HG GLU 72 0.235 -12.857 6.416 557 H LEU 73 H LEU 73 -0.168 -10.866 5.116 558 HA LEU 73 HA LEU 73 2.600 -10.526 5.041 559 HB2 LEU 73 2HB LEU 73 1.126 -11.454 3.158 560 HB3 LEU 73 1HB LEU 73 0.558 -9.840 2.876 561 HG LEU 73 HG LEU 73 2.195 -10.689 1.209 562 HD11 LEU 73 1HD1 LEU 73 3.549 -8.687 1.045 563 HD12 LEU 73 2HD1 LEU 73 3.106 -8.246 2.697 564 HD13 LEU 73 3HD1 LEU 73 1.874 -8.306 1.440 565 HD21 LEU 73 1HD2 LEU 73 4.575 -10.777 1.780 566 HD22 LEU 73 2HD2 LEU 73 3.645 -11.961 2.694 567 HD23 LEU 73 3HD2 LEU 73 4.179 -10.469 3.469 568 H GLN 74 H GLN 74 -0.073 -8.231 4.580 569 HA GLN 74 HA GLN 74 1.608 -5.954 4.477 570 HB2 GLN 74 2HB GLN 74 -1.342 -6.257 4.935 571 HB3 GLN 74 1HB GLN 74 -0.555 -4.690 5.037 572 HG2 GLN 74 2HG GLN 74 -0.575 -6.498 2.631 573 HG3 GLN 74 1HG GLN 74 -1.568 -5.057 2.851 574 HE21 GLN 74 1HE2 GLN 74 1.608 -6.260 2.140 575 HE22 GLN 74 2HE2 GLN 74 2.280 -4.737 1.673 576 H ASP 75 H ASP 75 0.036 -7.590 7.151 577 HA ASP 75 HA ASP 75 0.319 -5.699 9.155 578 HB2 ASP 75 2HB ASP 75 -0.824 -7.882 9.454 579 HB3 ASP 75 1HB ASP 75 0.744 -8.682 9.458 580 H ILE 76 H ILE 76 2.705 -7.912 7.890 581 HA ILE 76 HA ILE 76 4.760 -6.812 9.640 582 HB ILE 76 HB ILE 76 4.926 -9.007 7.556 583 HG12 ILE 76 2HG1 ILE 76 3.566 -9.675 9.458 584 HG13 ILE 76 1HG1 ILE 76 5.104 -10.531 9.501 585 HG21 ILE 76 1HG2 ILE 76 7.098 -7.935 7.801 586 HG22 ILE 76 2HG2 ILE 76 7.128 -9.551 8.506 587 HG23 ILE 76 3HG2 ILE 76 7.020 -8.136 9.552 588 HD11 ILE 76 1HD1 ILE 76 4.464 -9.825 11.725 589 HD12 ILE 76 2HD1 ILE 76 4.314 -8.160 11.189 590 HD13 ILE 76 3HD1 ILE 76 5.900 -8.937 11.213 591 H ALA 77 H ALA 77 4.087 -7.032 6.141 592 HA ALA 77 HA ALA 77 6.510 -5.692 5.478 593 HB1 ALA 77 1HB ALA 77 5.857 -5.903 3.187 594 HB2 ALA 77 2HB ALA 77 4.207 -6.316 3.657 595 HB3 ALA 77 3HB ALA 77 5.533 -7.415 4.036 596 H ASN 78 H ASN 78 3.199 -4.540 5.878 597 HA ASN 78 HA ASN 78 3.498 -2.232 4.297 598 HB2 ASN 78 2HB ASN 78 1.278 -3.122 5.084 599 HB3 ASN 78 1HB ASN 78 1.619 -2.443 6.669 600 HD21 ASN 78 1HD2 ASN 78 0.673 -1.809 3.423 601 HD22 ASN 78 2HD2 ASN 78 0.310 -0.137 3.651 602 HA PRO 79 HA PRO 79 4.929 0.104 8.475 603 HB2 PRO 79 2HB PRO 79 6.488 -2.251 9.450 604 HB3 PRO 79 1HB PRO 79 5.710 -0.969 10.382 605 HG2 PRO 79 2HG PRO 79 4.640 -3.396 10.236 606 HG3 PRO 79 1HG PRO 79 3.613 -1.953 10.232 607 HD2 PRO 79 2HD PRO 79 4.342 -3.782 8.007 608 HD3 PRO 79 1HD PRO 79 2.851 -2.858 8.274 609 H ILE 80 H ILE 80 6.710 -2.577 7.035 610 HA ILE 80 HA ILE 80 9.164 -1.203 6.890 611 HB ILE 80 HB ILE 80 8.200 -3.758 5.568 612 HG12 ILE 80 2HG1 ILE 80 9.980 -3.276 7.967 613 HG13 ILE 80 1HG1 ILE 80 8.274 -3.689 8.051 614 HG21 ILE 80 1HG2 ILE 80 11.007 -2.662 5.790 615 HG22 ILE 80 2HG2 ILE 80 10.075 -2.773 4.297 616 HG23 ILE 80 3HG2 ILE 80 10.569 -4.244 5.140 617 HD11 ILE 80 1HD1 ILE 80 8.736 -5.832 7.045 618 HD12 ILE 80 2HD1 ILE 80 9.724 -5.595 8.493 619 HD13 ILE 80 3HD1 ILE 80 10.445 -5.417 6.888 620 H MET 81 H MET 81 6.514 -1.693 4.635 621 HA MET 81 HA MET 81 7.610 -0.445 2.336 622 HB2 MET 81 2HB MET 81 4.743 -0.350 3.338 623 HB3 MET 81 1HB MET 81 5.251 0.165 1.750 624 HG2 MET 81 2HG MET 81 5.637 -2.668 2.658 625 HG3 MET 81 1HG MET 81 4.087 -2.113 2.058 626 HE1 MET 81 1HE MET 81 7.879 -2.778 -0.470 627 HE2 MET 81 2HE MET 81 7.731 -3.114 1.258 628 HE3 MET 81 3HE MET 81 7.909 -1.451 0.684 629 H SER 82 H SER 82 6.086 0.807 5.224 630 HA SER 82 HA SER 82 5.760 3.464 4.393 631 HB2 SER 82 2HB SER 82 6.023 2.374 7.196 632 HB3 SER 82 1HB SER 82 5.318 3.928 6.739 633 HG SER 82 HG SER 82 4.348 1.327 6.101 634 H LYS 83 H LYS 83 8.426 1.825 6.101 635 HA LYS 83 HA LYS 83 9.809 4.266 6.391 636 HB2 LYS 83 2HB LYS 83 11.772 2.990 7.069 637 HB3 LYS 83 1HB LYS 83 10.325 2.561 7.987 638 HG2 LYS 83 2HG LYS 83 10.063 0.640 6.583 639 HG3 LYS 83 1HG LYS 83 11.539 1.075 5.718 640 HD2 LYS 83 2HD LYS 83 11.382 0.412 8.680 641 HD3 LYS 83 1HD LYS 83 11.988 -0.686 7.443 642 HE2 LYS 83 2HE LYS 83 13.779 0.945 6.925 643 HE3 LYS 83 1HE LYS 83 13.167 1.987 8.205 644 HZ1 LYS 83 1HZ LYS 83 14.236 -0.757 8.565 645 HZ2 LYS 83 2HZ LYS 83 13.687 0.226 9.818 646 HZ3 LYS 83 3HZ LYS 83 15.059 0.651 8.943 647 H LEU 84 H LEU 84 9.721 1.826 3.997 648 HA LEU 84 HA LEU 84 11.967 2.574 2.462 649 HB2 LEU 84 2HB LEU 84 10.448 0.511 2.214 650 HB3 LEU 84 1HB LEU 84 9.339 1.544 1.353 651 HG LEU 84 HG LEU 84 12.151 0.862 0.437 652 HD11 LEU 84 1HD1 LEU 84 10.750 -1.085 0.430 653 HD12 LEU 84 2HD1 LEU 84 11.011 -0.538 -1.232 654 HD13 LEU 84 3HD1 LEU 84 9.484 -0.208 -0.424 655 HD21 LEU 84 1HD2 LEU 84 11.464 1.773 -1.735 656 HD22 LEU 84 2HD2 LEU 84 11.362 3.012 -0.488 657 HD23 LEU 84 3HD2 LEU 84 9.895 2.224 -1.066 658 H TYR 85 H TYR 85 8.610 3.713 2.486 659 HA TYR 85 HA TYR 85 8.817 5.606 0.429 660 HB2 TYR 85 2HB TYR 85 6.909 5.283 2.706 661 HB3 TYR 85 1HB TYR 85 6.884 6.780 1.782 662 HD1 TYR 85 1HD TYR 85 6.263 6.764 -0.572 663 HD2 TYR 85 2HD TYR 85 6.086 3.210 1.746 664 HE1 TYR 85 1HE TYR 85 4.875 5.730 -2.296 665 HE2 TYR 85 2HE TYR 85 4.690 2.151 0.012 666 HH TYR 85 HH TYR 85 3.085 3.044 -1.808 667 H GLN 86 H GLN 86 10.189 5.724 3.533 668 HA GLN 86 HA GLN 86 10.241 8.573 3.711 669 HB2 GLN 86 2HB GLN 86 11.811 6.469 5.198 670 HB3 GLN 86 1HB GLN 86 11.838 8.182 5.574 671 HG2 GLN 86 2HG GLN 86 9.367 6.462 5.659 672 HG3 GLN 86 1HG GLN 86 10.372 6.831 7.055 673 HE21 GLN 86 1HE2 GLN 86 8.729 7.850 8.126 674 HE22 GLN 86 2HE2 GLN 86 8.126 9.402 7.680 675 H ALA 87 H ALA 87 12.072 6.216 2.026 676 HA ALA 87 HA ALA 87 14.107 8.259 1.423 677 HB1 ALA 87 1HB ALA 87 15.047 6.455 2.791 678 HB2 ALA 87 2HB ALA 87 15.761 6.483 1.178 679 HB3 ALA 87 3HB ALA 87 14.537 5.278 1.582 680 H GLY 88 H GLY 88 11.520 6.758 0.133 681 HA2 GLY 88 2HA GLY 88 12.399 7.194 -2.560 682 HA3 GLY 88 1HA GLY 88 12.107 5.499 -2.165 683 H GLY 89 H GLY 89 10.531 8.508 -1.223 684 HA2 GLY 89 2HA GLY 89 8.228 8.165 -2.730 685 HA3 GLY 89 1HA GLY 89 8.061 7.322 -1.179 686 H ALA 90 H ALA 90 6.629 8.599 -0.130 687 HA ALA 90 HA ALA 90 7.501 11.317 0.424 688 HB1 ALA 90 1HB ALA 90 4.672 10.423 -0.195 689 HB2 ALA 90 2HB ALA 90 5.681 11.446 -1.218 690 HB3 ALA 90 3HB ALA 90 5.134 12.035 0.352 691 HA PRO 91 HA PRO 91 6.946 9.891 4.622 692 HB2 PRO 91 2HB PRO 91 6.020 12.621 5.296 693 HB3 PRO 91 1HB PRO 91 7.402 11.721 5.933 694 HG2 PRO 91 2HG PRO 91 7.735 13.777 4.267 695 HG3 PRO 91 1HG PRO 91 8.782 12.347 4.187 696 HD2 PRO 91 2HD PRO 91 6.480 13.109 2.426 697 HD3 PRO 91 1HD PRO 91 8.050 12.394 2.000 698 H GLY 92 H GLY 92 5.227 8.603 4.697 699 HA2 GLY 92 2HA GLY 92 2.905 9.237 5.926 700 HA3 GLY 92 1HA GLY 92 2.577 9.479 4.213 701 H GLY 93 H GLY 93 1.100 7.651 5.069 702 HA2 GLY 93 2HA GLY 93 2.455 5.070 4.835 703 HA3 GLY 93 1HA GLY 93 0.781 5.317 5.319 704 H ALA 94 H ALA 94 0.614 3.492 3.715 705 HA ALA 94 HA ALA 94 0.830 4.107 0.945 706 HB1 ALA 94 1HB ALA 94 -0.405 2.004 0.592 707 HB2 ALA 94 2HB ALA 94 -0.768 1.927 2.314 708 HB3 ALA 94 3HB ALA 94 0.900 1.786 1.758 709 H ALA 95 H ALA 95 -1.850 3.748 3.153 710 HA ALA 95 HA ALA 95 -3.531 5.445 1.457 711 HB1 ALA 95 1HB ALA 95 -4.538 3.317 2.196 712 HB2 ALA 95 2HB ALA 95 -5.371 4.693 2.917 713 HB3 ALA 95 3HB ALA 95 -4.228 3.757 3.877 714 H GLY 96 H GLY 96 -2.161 5.016 4.660 715 HA2 GLY 96 2HA GLY 96 -1.409 7.557 5.169 716 HA3 GLY 96 1HA GLY 96 -3.092 7.506 5.692 717 H GLY 97 H GLY 97 -1.432 7.971 7.687 718 HA2 GLY 97 2HA GLY 97 -1.376 7.120 9.857 719 HA3 GLY 97 1HA GLY 97 -1.709 5.521 9.207 720 H ALA 98 H ALA 98 0.118 4.843 7.625 721 HA ALA 98 HA ALA 98 2.181 3.941 7.428 722 HB1 ALA 98 1HB ALA 98 3.157 6.511 8.689 723 HB2 ALA 98 2HB ALA 98 2.886 6.257 6.965 724 HB3 ALA 98 3HB ALA 98 4.147 5.351 7.807 725 HA PRO 99 HA PRO 99 1.733 2.194 11.628 726 HB2 PRO 99 2HB PRO 99 2.802 -0.103 10.064 727 HB3 PRO 99 1HB PRO 99 1.471 -0.067 11.228 728 HG2 PRO 99 2HG PRO 99 0.962 -0.186 8.641 729 HG3 PRO 99 1HG PRO 99 -0.008 0.871 9.688 730 HD2 PRO 99 2HD PRO 99 2.197 1.578 7.798 731 HD3 PRO 99 1HD PRO 99 0.671 2.428 8.121 732 H GLY 100 H GLY 100 3.405 3.299 12.586 733 HA2 GLY 100 2HA GLY 100 6.110 2.166 12.226 734 HA3 GLY 100 1HA GLY 100 5.776 3.784 12.839 735 H GLY 101 H GLY 101 3.470 2.220 14.254 736 HA2 GLY 101 2HA GLY 101 4.299 0.476 16.107 737 HA3 GLY 101 1HA GLY 101 4.794 2.044 16.756 Start of MODEL 7 1 H1 SER 1 1HT SER 1 -21.557 -26.366 -12.218 2 H2 SER 1 2HT SER 1 -21.008 -25.891 -10.715 3 H3 SER 1 3HT SER 1 -20.618 -24.931 -12.070 4 HA SER 1 HA SER 1 -23.031 -24.578 -12.330 5 HB2 SER 1 2HB SER 1 -23.001 -25.703 -9.514 6 HB3 SER 1 1HB SER 1 -24.415 -25.083 -10.380 7 HG SER 1 HG SER 1 -24.361 -27.338 -10.567 8 H LYS 2 H LYS 2 -23.964 -22.655 -11.061 9 HA LYS 2 HA LYS 2 -22.051 -20.743 -11.390 10 HB2 LYS 2 2HB LYS 2 -24.572 -20.506 -11.410 11 HB3 LYS 2 1HB LYS 2 -24.449 -20.273 -9.672 12 HG2 LYS 2 2HG LYS 2 -24.558 -18.116 -10.702 13 HG3 LYS 2 1HG LYS 2 -22.906 -18.348 -10.124 14 HD2 LYS 2 2HD LYS 2 -22.145 -18.884 -12.352 15 HD3 LYS 2 1HD LYS 2 -23.798 -18.883 -12.960 16 HE2 LYS 2 2HE LYS 2 -22.743 -16.840 -13.625 17 HE3 LYS 2 1HE LYS 2 -23.926 -16.460 -12.382 18 HZ1 LYS 2 1HZ LYS 2 -21.885 -15.270 -12.091 19 HZ2 LYS 2 2HZ LYS 2 -20.980 -16.655 -11.985 20 HZ3 LYS 2 3HZ LYS 2 -22.095 -16.270 -10.765 21 H GLU 3 H GLU 3 -23.207 -21.832 -8.115 22 HA GLU 3 HA GLU 3 -21.475 -19.907 -6.919 23 HB2 GLU 3 2HB GLU 3 -21.977 -20.819 -4.743 24 HB3 GLU 3 1HB GLU 3 -23.462 -20.746 -5.670 25 HG2 GLU 3 2HG GLU 3 -23.468 -23.124 -5.960 26 HG3 GLU 3 1HG GLU 3 -21.835 -23.259 -5.301 27 H GLU 4 H GLU 4 -21.115 -23.202 -7.810 28 HA GLU 4 HA GLU 4 -18.764 -23.830 -6.364 29 HB2 GLU 4 2HB GLU 4 -19.464 -24.859 -9.115 30 HB3 GLU 4 1HB GLU 4 -18.495 -25.655 -7.887 31 HG2 GLU 4 2HG GLU 4 -20.505 -25.950 -6.501 32 HG3 GLU 4 1HG GLU 4 -21.459 -25.150 -7.748 33 H ASP 5 H ASP 5 -19.352 -22.653 -9.619 34 HA ASP 5 HA ASP 5 -16.639 -22.407 -10.328 35 HB2 ASP 5 2HB ASP 5 -19.104 -21.182 -11.603 36 HB3 ASP 5 1HB ASP 5 -17.487 -21.053 -12.286 37 H GLU 6 H GLU 6 -18.934 -20.098 -8.992 38 HA GLU 6 HA GLU 6 -17.247 -17.825 -9.217 39 HB2 GLU 6 2HB GLU 6 -19.452 -18.382 -7.237 40 HB3 GLU 6 1HB GLU 6 -18.677 -16.820 -7.429 41 HG2 GLU 6 2HG GLU 6 -19.511 -16.674 -9.706 42 HG3 GLU 6 1HG GLU 6 -20.236 -18.272 -9.554 43 H LYS 7 H LYS 7 -17.787 -20.092 -6.541 44 HA LYS 7 HA LYS 7 -16.052 -18.803 -4.762 45 HB2 LYS 7 2HB LYS 7 -16.983 -21.667 -4.823 46 HB3 LYS 7 1HB LYS 7 -16.039 -20.980 -3.506 47 HG2 LYS 7 2HG LYS 7 -17.805 -19.349 -3.077 48 HG3 LYS 7 1HG LYS 7 -18.743 -20.010 -4.411 49 HD2 LYS 7 2HD LYS 7 -17.945 -21.526 -1.919 50 HD3 LYS 7 1HD LYS 7 -19.531 -20.816 -2.205 51 HE2 LYS 7 2HE LYS 7 -19.719 -22.259 -4.234 52 HE3 LYS 7 1HE LYS 7 -18.214 -23.035 -3.752 53 HZ1 LYS 7 1HZ LYS 7 -20.785 -23.042 -2.274 54 HZ2 LYS 7 2HZ LYS 7 -19.332 -23.579 -1.617 55 HZ3 LYS 7 3HZ LYS 7 -19.983 -24.354 -2.963 56 H GLU 8 H GLU 8 -15.432 -21.406 -7.097 57 HA GLU 8 HA GLU 8 -12.753 -21.567 -6.209 58 HB2 GLU 8 2HB GLU 8 -14.045 -22.756 -8.646 59 HB3 GLU 8 1HB GLU 8 -12.341 -22.962 -8.269 60 HG2 GLU 8 2HG GLU 8 -13.103 -23.859 -6.019 61 HG3 GLU 8 1HG GLU 8 -14.715 -23.935 -6.730 62 H SER 9 H SER 9 -14.274 -19.744 -8.802 63 HA SER 9 HA SER 9 -11.808 -19.061 -9.977 64 HB2 SER 9 2HB SER 9 -13.081 -17.165 -11.044 65 HB3 SER 9 1HB SER 9 -13.720 -18.781 -11.341 66 HG SER 9 HG SER 9 -15.360 -18.422 -10.027 67 H GLN 10 H GLN 10 -13.712 -17.433 -7.482 68 HA GLN 10 HA GLN 10 -11.939 -15.225 -7.235 69 HB2 GLN 10 2HB GLN 10 -13.877 -16.402 -5.239 70 HB3 GLN 10 1HB GLN 10 -12.997 -14.901 -4.982 71 HG2 GLN 10 2HG GLN 10 -14.954 -15.434 -7.201 72 HG3 GLN 10 1HG GLN 10 -15.267 -14.482 -5.751 73 HE21 GLN 10 1HE2 GLN 10 -15.321 -13.759 -8.564 74 HE22 GLN 10 2HE2 GLN 10 -14.268 -12.408 -8.748 75 H ARG 11 H ARG 11 -12.060 -18.364 -5.843 76 HA ARG 11 HA ARG 11 -10.064 -18.247 -3.884 77 HB2 ARG 11 2HB ARG 11 -11.721 -20.050 -4.301 78 HB3 ARG 11 1HB ARG 11 -10.870 -20.452 -5.765 79 HG2 ARG 11 2HG ARG 11 -8.996 -21.272 -4.469 80 HG3 ARG 11 1HG ARG 11 -9.799 -20.775 -2.966 81 HD2 ARG 11 2HD ARG 11 -11.700 -22.193 -3.484 82 HD3 ARG 11 1HD ARG 11 -10.956 -22.678 -4.997 83 HE ARG 11 HE ARG 11 -9.269 -23.322 -2.832 84 HH11 ARG 11 1HH1 ARG 11 -12.366 -24.306 -4.263 85 HH12 ARG 11 2HH1 ARG 11 -12.241 -25.931 -3.788 86 HH21 ARG 11 1HH2 ARG 11 -9.116 -25.630 -2.155 87 HH22 ARG 11 2HH2 ARG 11 -10.369 -26.676 -2.575 88 H ILE 12 H ILE 12 -9.945 -19.026 -7.325 89 HA ILE 12 HA ILE 12 -7.159 -19.367 -7.579 90 HB ILE 12 HB ILE 12 -9.253 -18.624 -9.638 91 HG12 ILE 12 2HG1 ILE 12 -7.941 -21.275 -9.011 92 HG13 ILE 12 1HG1 ILE 12 -9.548 -20.790 -8.492 93 HG21 ILE 12 1HG2 ILE 12 -7.030 -17.970 -10.453 94 HG22 ILE 12 2HG2 ILE 12 -7.629 -19.375 -11.338 95 HG23 ILE 12 3HG2 ILE 12 -6.411 -19.579 -10.078 96 HD11 ILE 12 1HD1 ILE 12 -9.587 -22.258 -10.421 97 HD12 ILE 12 2HD1 ILE 12 -8.649 -21.072 -11.339 98 HD13 ILE 12 3HD1 ILE 12 -10.277 -20.678 -10.789 99 H ALA 13 H ALA 13 -9.251 -16.558 -8.040 100 HA ALA 13 HA ALA 13 -7.407 -14.786 -9.075 101 HB1 ALA 13 1HB ALA 13 -8.879 -13.000 -8.245 102 HB2 ALA 13 2HB ALA 13 -9.704 -14.165 -7.210 103 HB3 ALA 13 3HB ALA 13 -9.806 -14.317 -8.965 104 H SER 14 H SER 14 -8.258 -15.402 -5.681 105 HA SER 14 HA SER 14 -6.472 -13.648 -4.493 106 HB2 SER 14 2HB SER 14 -7.517 -16.283 -3.453 107 HB3 SER 14 1HB SER 14 -6.852 -14.972 -2.475 108 HG SER 14 HG SER 14 -8.596 -13.833 -2.750 109 H LYS 15 H LYS 15 -6.005 -16.994 -5.585 110 HA LYS 15 HA LYS 15 -3.482 -17.515 -4.428 111 HB2 LYS 15 2HB LYS 15 -4.435 -18.498 -7.128 112 HB3 LYS 15 1HB LYS 15 -3.170 -19.213 -6.147 113 HG2 LYS 15 2HG LYS 15 -4.838 -19.783 -4.448 114 HG3 LYS 15 1HG LYS 15 -6.093 -19.089 -5.471 115 HD2 LYS 15 2HD LYS 15 -5.433 -20.732 -7.249 116 HD3 LYS 15 1HD LYS 15 -4.364 -21.488 -6.068 117 HE2 LYS 15 2HE LYS 15 -6.323 -21.808 -4.580 118 HE3 LYS 15 1HE LYS 15 -7.350 -21.182 -5.871 119 HZ1 LYS 15 1HZ LYS 15 -7.389 -23.540 -5.910 120 HZ2 LYS 15 2HZ LYS 15 -5.733 -23.666 -5.906 121 HZ3 LYS 15 3HZ LYS 15 -6.532 -23.051 -7.267 122 H ASN 16 H ASN 16 -4.358 -16.122 -7.528 123 HA ASN 16 HA ASN 16 -1.675 -15.880 -8.430 124 HB2 ASN 16 2HB ASN 16 -4.236 -14.706 -9.509 125 HB3 ASN 16 1HB ASN 16 -2.666 -14.380 -10.238 126 HD21 ASN 16 1HD2 ASN 16 -5.160 -16.767 -9.736 127 HD22 ASN 16 2HD2 ASN 16 -4.517 -17.923 -10.845 128 H GLN 17 H GLN 17 -3.897 -13.643 -6.889 129 HA GLN 17 HA GLN 17 -2.215 -11.367 -7.094 130 HB2 GLN 17 2HB GLN 17 -4.587 -11.153 -6.444 131 HB3 GLN 17 1HB GLN 17 -4.271 -12.053 -4.968 132 HG2 GLN 17 2HG GLN 17 -2.717 -10.265 -4.253 133 HG3 GLN 17 1HG GLN 17 -3.161 -9.339 -5.680 134 HE21 GLN 17 1HE2 GLN 17 -3.932 -7.646 -4.421 135 HE22 GLN 17 2HE2 GLN 17 -5.406 -7.739 -3.552 136 H LEU 18 H LEU 18 -2.605 -13.837 -4.640 137 HA LEU 18 HA LEU 18 -0.810 -12.923 -2.734 138 HB2 LEU 18 2HB LEU 18 -2.539 -14.708 -2.480 139 HB3 LEU 18 1HB LEU 18 -1.577 -15.761 -3.471 140 HG LEU 18 HG LEU 18 -1.582 -16.224 -0.999 141 HD11 LEU 18 1HD1 LEU 18 0.777 -16.748 -0.845 142 HD12 LEU 18 2HD1 LEU 18 1.112 -15.701 -2.227 143 HD13 LEU 18 3HD1 LEU 18 0.134 -17.157 -2.437 144 HD21 LEU 18 1HD2 LEU 18 -0.123 -14.841 0.413 145 HD22 LEU 18 2HD2 LEU 18 -1.512 -13.943 -0.192 146 HD23 LEU 18 3HD2 LEU 18 0.077 -13.706 -0.918 147 H GLU 19 H GLU 19 -0.323 -15.116 -5.453 148 HA GLU 19 HA GLU 19 2.400 -15.650 -5.130 149 HB2 GLU 19 2HB GLU 19 0.925 -16.901 -6.641 150 HB3 GLU 19 1HB GLU 19 0.775 -15.485 -7.665 151 HG2 GLU 19 2HG GLU 19 3.190 -15.581 -8.122 152 HG3 GLU 19 1HG GLU 19 3.288 -17.034 -7.129 153 H SER 20 H SER 20 0.801 -13.230 -7.223 154 HA SER 20 HA SER 20 3.243 -12.300 -8.259 155 HB2 SER 20 2HB SER 20 1.033 -12.119 -9.430 156 HB3 SER 20 1HB SER 20 0.567 -10.879 -8.267 157 HG SER 20 HG SER 20 2.493 -10.817 -10.293 158 H ILE 21 H ILE 21 1.228 -11.127 -5.587 159 HA ILE 21 HA ILE 21 2.795 -8.843 -5.282 160 HB ILE 21 HB ILE 21 0.730 -10.113 -3.512 161 HG12 ILE 21 2HG1 ILE 21 0.909 -7.627 -5.209 162 HG13 ILE 21 1HG1 ILE 21 -0.054 -9.059 -5.524 163 HG21 ILE 21 1HG2 ILE 21 2.385 -9.058 -2.041 164 HG22 ILE 21 2HG2 ILE 21 0.871 -8.140 -2.055 165 HG23 ILE 21 3HG2 ILE 21 2.269 -7.565 -2.976 166 HD11 ILE 21 1HD1 ILE 21 -1.433 -8.564 -3.613 167 HD12 ILE 21 2HD1 ILE 21 -1.371 -7.196 -4.743 168 HD13 ILE 21 3HD1 ILE 21 -0.405 -7.170 -3.255 169 H ALA 22 H ALA 22 3.029 -12.081 -3.908 170 HA ALA 22 HA ALA 22 4.950 -11.503 -1.949 171 HB1 ALA 22 1HB ALA 22 5.497 -13.895 -2.005 172 HB2 ALA 22 2HB ALA 22 4.635 -14.061 -3.532 173 HB3 ALA 22 3HB ALA 22 3.753 -13.660 -2.060 174 H TYR 23 H TYR 23 5.336 -12.422 -5.379 175 HA TYR 23 HA TYR 23 8.172 -12.287 -5.283 176 HB2 TYR 23 2HB TYR 23 6.256 -12.241 -7.604 177 HB3 TYR 23 1HB TYR 23 7.998 -12.121 -7.816 178 HD1 TYR 23 1HD TYR 23 9.439 -14.017 -7.010 179 HD2 TYR 23 2HD TYR 23 5.216 -14.327 -7.288 180 HE1 TYR 23 1HE TYR 23 9.629 -16.467 -7.012 181 HE2 TYR 23 2HE TYR 23 5.390 -16.772 -7.283 182 HH TYR 23 HH TYR 23 6.914 -18.459 -7.738 183 H SER 24 H SER 24 5.683 -9.980 -6.204 184 HA SER 24 HA SER 24 7.448 -8.017 -7.139 185 HB2 SER 24 2HB SER 24 4.663 -7.676 -6.018 186 HB3 SER 24 1HB SER 24 5.552 -6.464 -6.948 187 HG SER 24 HG SER 24 4.500 -8.939 -7.753 188 H LEU 25 H LEU 25 6.225 -8.728 -3.917 189 HA LEU 25 HA LEU 25 7.159 -6.475 -2.562 190 HB2 LEU 25 2HB LEU 25 5.719 -8.210 -1.529 191 HB3 LEU 25 1HB LEU 25 7.061 -9.337 -1.624 192 HG LEU 25 HG LEU 25 8.328 -8.054 0.004 193 HD11 LEU 25 1HD1 LEU 25 5.939 -6.203 0.066 194 HD12 LEU 25 2HD1 LEU 25 7.548 -5.808 -0.542 195 HD13 LEU 25 3HD1 LEU 25 7.311 -6.146 1.171 196 HD21 LEU 25 1HD2 LEU 25 5.511 -8.472 0.970 197 HD22 LEU 25 2HD2 LEU 25 6.982 -8.502 1.950 198 HD23 LEU 25 3HD2 LEU 25 6.688 -9.752 0.740 199 H LYS 26 H LYS 26 8.765 -9.613 -3.129 200 HA LYS 26 HA LYS 26 11.166 -8.800 -1.903 201 HB2 LYS 26 2HB LYS 26 10.813 -10.956 -3.980 202 HB3 LYS 26 1HB LYS 26 12.273 -10.699 -3.036 203 HG2 LYS 26 2HG LYS 26 10.701 -11.035 -0.981 204 HG3 LYS 26 1HG LYS 26 9.614 -11.752 -2.168 205 HD2 LYS 26 2HD LYS 26 12.479 -12.622 -1.690 206 HD3 LYS 26 1HD LYS 26 11.054 -13.441 -1.062 207 HE2 LYS 26 2HE LYS 26 10.346 -14.035 -3.287 208 HE3 LYS 26 1HE LYS 26 11.590 -12.995 -3.984 209 HZ1 LYS 26 1HZ LYS 26 12.157 -15.420 -3.995 210 HZ2 LYS 26 2HZ LYS 26 12.314 -15.384 -2.319 211 HZ3 LYS 26 3HZ LYS 26 13.272 -14.431 -3.277 212 H ASN 27 H ASN 27 10.172 -8.659 -5.263 213 HA ASN 27 HA ASN 27 12.625 -7.674 -6.239 214 HB2 ASN 27 2HB ASN 27 9.820 -7.401 -7.334 215 HB3 ASN 27 1HB ASN 27 11.227 -6.747 -8.167 216 HD21 ASN 27 1HD2 ASN 27 10.931 -8.095 -9.944 217 HD22 ASN 27 2HD2 ASN 27 11.233 -9.794 -9.865 218 H THR 28 H THR 28 9.760 -5.985 -5.071 219 HA THR 28 HA THR 28 10.648 -3.386 -5.529 220 HB THR 28 HB THR 28 8.849 -4.406 -3.319 221 HG1 THR 28 1HG THR 28 7.915 -4.863 -5.257 222 HG21 THR 28 1HG2 THR 28 9.691 -2.154 -2.828 223 HG22 THR 28 2HG2 THR 28 7.972 -2.104 -3.222 224 HG23 THR 28 3HG2 THR 28 9.165 -1.599 -4.416 225 H ILE 29 H ILE 29 11.010 -5.433 -2.632 226 HA ILE 29 HA ILE 29 12.336 -3.483 -1.088 227 HB ILE 29 HB ILE 29 12.652 -6.492 -0.776 228 HG12 ILE 29 2HG1 ILE 29 10.264 -5.894 -0.745 229 HG13 ILE 29 1HG1 ILE 29 10.819 -6.380 0.847 230 HG21 ILE 29 1HG2 ILE 29 12.933 -4.283 1.213 231 HG22 ILE 29 2HG2 ILE 29 14.255 -5.093 0.394 232 HG23 ILE 29 3HG2 ILE 29 13.201 -6.010 1.496 233 HD11 ILE 29 1HD1 ILE 29 10.301 -3.559 -0.091 234 HD12 ILE 29 2HD1 ILE 29 10.947 -4.008 1.491 235 HD13 ILE 29 3HD1 ILE 29 9.325 -4.518 1.029 236 H SER 30 H SER 30 13.583 -6.029 -3.217 237 HA SER 30 HA SER 30 16.284 -5.630 -2.540 238 HB2 SER 30 2HB SER 30 15.120 -6.842 -5.054 239 HB3 SER 30 1HB SER 30 16.768 -7.056 -4.455 240 HG SER 30 HG SER 30 14.364 -8.090 -3.523 241 H GLU 31 H GLU 31 14.312 -4.383 -5.264 242 HA GLU 31 HA GLU 31 16.522 -2.996 -6.389 243 HB2 GLU 31 2HB GLU 31 13.565 -2.648 -6.887 244 HB3 GLU 31 1HB GLU 31 14.840 -1.925 -7.858 245 HG2 GLU 31 2HG GLU 31 14.330 -4.879 -7.514 246 HG3 GLU 31 1HG GLU 31 13.925 -3.912 -8.930 247 H ALA 32 H ALA 32 14.186 -2.222 -3.972 248 HA ALA 32 HA ALA 32 14.666 0.584 -3.908 249 HB1 ALA 32 1HB ALA 32 13.749 -1.268 -1.704 250 HB2 ALA 32 2HB ALA 32 12.702 -0.450 -2.860 251 HB3 ALA 32 3HB ALA 32 13.635 0.492 -1.694 252 H GLY 33 H GLY 33 15.851 -2.188 -2.107 253 HA2 GLY 33 2HA GLY 33 17.779 -2.665 -1.047 254 HA3 GLY 33 1HA GLY 33 18.523 -1.541 -2.165 255 H ASP 34 H ASP 34 18.873 0.504 -1.555 256 HA ASP 34 HA ASP 34 19.890 0.884 1.060 257 HB2 ASP 34 2HB ASP 34 20.763 1.814 -1.073 258 HB3 ASP 34 1HB ASP 34 19.398 2.913 -1.102 259 H LYS 35 H LYS 35 16.900 1.612 -0.435 260 HA LYS 35 HA LYS 35 16.075 3.746 1.282 261 HB2 LYS 35 2HB LYS 35 14.422 1.940 -0.477 262 HB3 LYS 35 1HB LYS 35 13.824 3.381 0.330 263 HG2 LYS 35 2HG LYS 35 15.900 3.250 -1.852 264 HG3 LYS 35 1HG LYS 35 14.256 3.885 -1.978 265 HD2 LYS 35 2HD LYS 35 14.863 5.582 -0.243 266 HD3 LYS 35 1HD LYS 35 16.517 4.982 -0.331 267 HE2 LYS 35 2HE LYS 35 16.586 5.562 -2.713 268 HE3 LYS 35 1HE LYS 35 14.952 6.213 -2.587 269 HZ1 LYS 35 1HZ LYS 35 17.354 7.174 -1.152 270 HZ2 LYS 35 2HZ LYS 35 15.813 7.764 -0.870 271 HZ3 LYS 35 3HZ LYS 35 16.554 7.994 -2.377 272 H LEU 36 H LEU 36 16.499 0.547 2.013 273 HA LEU 36 HA LEU 36 14.650 0.797 4.248 274 HB2 LEU 36 2HB LEU 36 13.509 -0.426 2.413 275 HB3 LEU 36 1HB LEU 36 14.792 -1.621 2.465 276 HG LEU 36 HG LEU 36 14.157 -2.070 4.830 277 HD11 LEU 36 1HD1 LEU 36 11.785 -0.355 4.123 278 HD12 LEU 36 2HD1 LEU 36 13.014 -0.001 5.337 279 HD13 LEU 36 3HD1 LEU 36 11.923 -1.364 5.562 280 HD21 LEU 36 1HD2 LEU 36 12.197 -3.405 4.231 281 HD22 LEU 36 2HD2 LEU 36 13.489 -3.520 3.038 282 HD23 LEU 36 3HD2 LEU 36 12.073 -2.516 2.710 283 H GLU 37 H GLU 37 15.427 -0.175 6.081 284 HA GLU 37 HA GLU 37 18.167 -0.786 6.276 285 HB2 GLU 37 2HB GLU 37 15.923 -1.429 8.188 286 HB3 GLU 37 1HB GLU 37 17.632 -1.498 8.568 287 HG2 GLU 37 2HG GLU 37 17.780 0.932 8.131 288 HG3 GLU 37 1HG GLU 37 16.029 0.956 7.894 289 H GLN 38 H GLN 38 19.099 -2.839 7.004 290 HA GLN 38 HA GLN 38 18.392 -4.944 5.272 291 HB2 GLN 38 2HB GLN 38 20.306 -4.933 7.606 292 HB3 GLN 38 1HB GLN 38 20.109 -6.286 6.500 293 HG2 GLN 38 2HG GLN 38 21.017 -3.516 5.771 294 HG3 GLN 38 1HG GLN 38 22.043 -4.948 5.901 295 HE21 GLN 38 1HE2 GLN 38 21.859 -6.566 4.300 296 HE22 GLN 38 2HE2 GLN 38 21.116 -6.246 2.787 297 H ALA 39 H ALA 39 17.819 -4.500 8.713 298 HA ALA 39 HA ALA 39 16.807 -7.070 9.216 299 HB1 ALA 39 1HB ALA 39 15.809 -6.112 11.239 300 HB2 ALA 39 2HB ALA 39 16.093 -4.491 10.611 301 HB3 ALA 39 3HB ALA 39 17.459 -5.528 11.019 302 H ASP 40 H ASP 40 15.107 -4.080 8.394 303 HA ASP 40 HA ASP 40 12.502 -5.143 8.307 304 HB2 ASP 40 2HB ASP 40 13.694 -2.908 6.659 305 HB3 ASP 40 1HB ASP 40 11.977 -3.226 6.818 306 H LYS 41 H LYS 41 15.000 -4.773 5.891 307 HA LYS 41 HA LYS 41 13.686 -5.638 3.621 308 HB2 LYS 41 2HB LYS 41 15.857 -4.564 3.524 309 HB3 LYS 41 1HB LYS 41 16.603 -5.903 4.377 310 HG2 LYS 41 2HG LYS 41 16.233 -7.359 2.498 311 HG3 LYS 41 1HG LYS 41 15.342 -6.120 1.647 312 HD2 LYS 41 2HD LYS 41 18.268 -5.928 2.426 313 HD3 LYS 41 1HD LYS 41 17.692 -6.420 0.840 314 HE2 LYS 41 2HE LYS 41 18.207 -4.182 0.492 315 HE3 LYS 41 1HE LYS 41 16.493 -4.090 0.867 316 HZ1 LYS 41 1HZ LYS 41 18.729 -3.575 2.751 317 HZ2 LYS 41 2HZ LYS 41 17.105 -3.405 3.158 318 HZ3 LYS 41 3HZ LYS 41 17.806 -2.385 2.022 319 H ASP 42 H ASP 42 15.512 -7.618 5.968 320 HA ASP 42 HA ASP 42 14.924 -9.995 4.508 321 HB2 ASP 42 2HB ASP 42 16.918 -9.981 5.859 322 HB3 ASP 42 1HB ASP 42 15.979 -9.673 7.318 323 H THR 43 H THR 43 13.413 -8.365 7.212 324 HA THR 43 HA THR 43 11.796 -10.440 8.123 325 HB THR 43 HB THR 43 11.156 -7.462 8.100 326 HG1 THR 43 1HG THR 43 13.128 -7.940 9.160 327 HG21 THR 43 1HG2 THR 43 9.735 -7.967 10.046 328 HG22 THR 43 2HG2 THR 43 10.106 -9.683 9.874 329 HG23 THR 43 3HG2 THR 43 9.188 -8.845 8.618 330 H VAL 44 H VAL 44 11.077 -7.967 5.659 331 HA VAL 44 HA VAL 44 8.519 -9.054 5.104 332 HB VAL 44 HB VAL 44 8.738 -7.707 2.912 333 HG11 VAL 44 1HG1 VAL 44 7.334 -7.066 4.816 334 HG12 VAL 44 2HG1 VAL 44 8.141 -5.636 4.170 335 HG13 VAL 44 3HG1 VAL 44 8.740 -6.401 5.645 336 HG21 VAL 44 1HG2 VAL 44 10.291 -5.819 3.038 337 HG22 VAL 44 2HG2 VAL 44 11.143 -7.364 2.984 338 HG23 VAL 44 3HG2 VAL 44 10.989 -6.497 4.508 339 H THR 45 H THR 45 11.545 -9.286 3.330 340 HA THR 45 HA THR 45 10.454 -10.771 1.248 341 HB THR 45 HB THR 45 12.723 -11.396 0.707 342 HG1 THR 45 1HG THR 45 13.616 -9.580 2.709 343 HG21 THR 45 1HG2 THR 45 12.310 -8.459 1.283 344 HG22 THR 45 2HG2 THR 45 11.741 -9.336 -0.131 345 HG23 THR 45 3HG2 THR 45 13.473 -9.117 0.126 346 H LYS 46 H LYS 46 12.029 -11.872 4.228 347 HA LYS 46 HA LYS 46 12.030 -14.613 3.518 348 HB2 LYS 46 2HB LYS 46 13.466 -13.844 5.321 349 HB3 LYS 46 1HB LYS 46 12.080 -13.285 6.240 350 HG2 LYS 46 2HG LYS 46 11.350 -15.566 6.596 351 HG3 LYS 46 1HG LYS 46 12.651 -16.172 5.580 352 HD2 LYS 46 2HD LYS 46 13.322 -14.471 7.954 353 HD3 LYS 46 1HD LYS 46 12.881 -16.153 8.207 354 HE2 LYS 46 2HE LYS 46 15.320 -15.834 8.070 355 HE3 LYS 46 1HE LYS 46 14.722 -16.888 6.800 356 HZ1 LYS 46 1HZ LYS 46 14.943 -15.074 5.233 357 HZ2 LYS 46 2HZ LYS 46 16.396 -15.330 6.015 358 HZ3 LYS 46 3HZ LYS 46 15.463 -14.003 6.426 359 H LYS 47 H LYS 47 9.692 -12.565 5.178 360 HA LYS 47 HA LYS 47 7.820 -14.585 5.797 361 HB2 LYS 47 2HB LYS 47 7.932 -12.156 6.659 362 HB3 LYS 47 1HB LYS 47 7.207 -11.680 5.143 363 HG2 LYS 47 2HG LYS 47 5.915 -13.574 7.096 364 HG3 LYS 47 1HG LYS 47 5.640 -11.840 7.119 365 HD2 LYS 47 2HD LYS 47 4.690 -11.984 4.866 366 HD3 LYS 47 1HD LYS 47 5.018 -13.715 4.835 367 HE2 LYS 47 2HE LYS 47 3.168 -12.287 6.744 368 HE3 LYS 47 1HE LYS 47 2.674 -13.267 5.369 369 HZ1 LYS 47 1HZ LYS 47 2.483 -14.584 7.315 370 HZ2 LYS 47 2HZ LYS 47 4.029 -14.213 7.844 371 HZ3 LYS 47 3HZ LYS 47 3.816 -15.180 6.486 372 H ALA 48 H ALA 48 8.433 -12.593 2.990 373 HA ALA 48 HA ALA 48 6.189 -13.270 1.425 374 HB1 ALA 48 1HB ALA 48 8.956 -12.487 0.475 375 HB2 ALA 48 2HB ALA 48 7.716 -11.364 0.975 376 HB3 ALA 48 3HB ALA 48 7.458 -12.374 -0.456 377 H GLU 49 H GLU 49 9.330 -14.794 1.816 378 HA GLU 49 HA GLU 49 8.831 -16.650 -0.273 379 HB2 GLU 49 2HB GLU 49 10.874 -16.820 1.925 380 HB3 GLU 49 1HB GLU 49 10.834 -17.802 0.462 381 HG2 GLU 49 2HG GLU 49 10.933 -15.652 -0.829 382 HG3 GLU 49 1HG GLU 49 11.318 -14.862 0.695 383 H GLU 50 H GLU 50 8.278 -16.641 3.180 384 HA GLU 50 HA GLU 50 7.533 -19.365 3.474 385 HB2 GLU 50 2HB GLU 50 6.270 -16.984 4.835 386 HB3 GLU 50 1HB GLU 50 6.205 -18.649 5.368 387 HG2 GLU 50 2HG GLU 50 8.592 -18.571 5.864 388 HG3 GLU 50 1HG GLU 50 8.635 -16.885 5.328 389 H THR 51 H THR 51 5.973 -16.470 2.459 390 HA THR 51 HA THR 51 3.375 -17.384 2.252 391 HB THR 51 HB THR 51 4.757 -15.192 0.713 392 HG1 THR 51 1HG THR 51 4.862 -14.873 2.963 393 HG21 THR 51 1HG2 THR 51 2.517 -14.198 0.511 394 HG22 THR 51 2HG2 THR 51 1.829 -15.633 1.278 395 HG23 THR 51 3HG2 THR 51 2.618 -15.762 -0.295 396 H ILE 52 H ILE 52 6.033 -17.296 -0.053 397 HA ILE 52 HA ILE 52 4.619 -18.331 -2.280 398 HB ILE 52 HB ILE 52 7.608 -18.313 -1.729 399 HG12 ILE 52 2HG1 ILE 52 5.896 -16.473 -3.416 400 HG13 ILE 52 1HG1 ILE 52 6.520 -16.089 -1.817 401 HG21 ILE 52 1HG2 ILE 52 7.061 -20.016 -3.408 402 HG22 ILE 52 2HG2 ILE 52 7.890 -18.650 -4.155 403 HG23 ILE 52 3HG2 ILE 52 6.145 -18.824 -4.329 404 HD11 ILE 52 1HD1 ILE 52 8.800 -16.216 -2.686 405 HD12 ILE 52 2HD1 ILE 52 7.826 -15.032 -3.563 406 HD13 ILE 52 3HD1 ILE 52 8.163 -16.601 -4.287 407 H SER 53 H SER 53 6.708 -19.907 0.187 408 HA SER 53 HA SER 53 6.430 -22.453 -0.969 409 HB2 SER 53 2HB SER 53 7.282 -23.242 1.285 410 HB3 SER 53 1HB SER 53 8.301 -22.060 0.464 411 HG SER 53 HG SER 53 7.280 -21.902 2.866 412 H TRP 54 H TRP 54 4.583 -20.694 1.436 413 HA TRP 54 HA TRP 54 2.827 -22.704 2.244 414 HB2 TRP 54 2HB TRP 54 2.939 -20.384 3.256 415 HB3 TRP 54 1HB TRP 54 2.135 -19.765 1.829 416 HD1 TRP 54 HD TRP 54 1.470 -21.793 4.981 417 HE1 TRP 54 1HE TRP 54 -1.052 -21.939 5.364 418 HE3 TRP 54 3HE TRP 54 -0.106 -19.722 0.587 419 HZ2 TRP 54 2HZ TRP 54 -3.444 -21.264 3.945 420 HZ3 TRP 54 3HZ TRP 54 -2.513 -19.515 0.184 421 HH2 TRP 54 HH TRP 54 -4.142 -20.264 1.820 422 H LEU 55 H LEU 55 2.582 -20.390 -0.414 423 HA LEU 55 HA LEU 55 0.162 -21.232 -1.530 424 HB2 LEU 55 2HB LEU 55 1.176 -19.135 -2.105 425 HB3 LEU 55 1HB LEU 55 2.575 -19.940 -2.776 426 HG LEU 55 HG LEU 55 1.122 -20.871 -4.567 427 HD11 LEU 55 1HD1 LEU 55 -0.961 -19.040 -3.394 428 HD12 LEU 55 2HD1 LEU 55 -1.013 -20.806 -3.478 429 HD13 LEU 55 3HD1 LEU 55 -1.063 -19.856 -4.958 430 HD21 LEU 55 1HD2 LEU 55 1.162 -17.875 -4.325 431 HD22 LEU 55 2HD2 LEU 55 0.946 -18.803 -5.813 432 HD23 LEU 55 3HD2 LEU 55 2.468 -18.896 -4.928 433 H ASP 56 H ASP 56 3.418 -22.436 -2.000 434 HA ASP 56 HA ASP 56 2.856 -24.014 -4.305 435 HB2 ASP 56 2HB ASP 56 5.119 -23.237 -3.827 436 HB3 ASP 56 1HB ASP 56 5.139 -24.143 -2.324 437 H SER 57 H SER 57 2.701 -24.527 -0.884 438 HA SER 57 HA SER 57 2.337 -27.348 -1.287 439 HB2 SER 57 2HB SER 57 2.362 -25.763 1.279 440 HB3 SER 57 1HB SER 57 2.424 -27.522 1.147 441 HG SER 57 HG SER 57 4.278 -26.372 -0.416 442 H ASN 58 H ASN 58 0.435 -24.514 -0.484 443 HA ASN 58 HA ASN 58 -1.910 -26.175 0.144 444 HB2 ASN 58 2HB ASN 58 -1.295 -23.332 1.008 445 HB3 ASN 58 1HB ASN 58 -2.765 -24.210 1.388 446 HD21 ASN 58 1HD2 ASN 58 0.578 -23.852 2.041 447 HD22 ASN 58 2HD2 ASN 58 0.631 -24.819 3.472 448 H THR 59 H THR 59 -1.098 -25.635 -2.486 449 HA THR 59 HA THR 59 -2.246 -23.417 -3.669 450 HB THR 59 HB THR 59 -2.085 -26.080 -5.043 451 HG1 THR 59 1HG THR 59 0.044 -24.453 -4.007 452 HG21 THR 59 1HG2 THR 59 -1.188 -23.295 -5.689 453 HG22 THR 59 2HG2 THR 59 -2.705 -24.016 -6.251 454 HG23 THR 59 3HG2 THR 59 -1.147 -24.662 -6.808 455 H THR 60 H THR 60 -3.677 -26.388 -2.496 456 HA THR 60 HA THR 60 -6.138 -26.005 -3.925 457 HB THR 60 HB THR 60 -6.678 -28.169 -2.677 458 HG1 THR 60 1HG THR 60 -5.094 -27.995 -1.066 459 HG21 THR 60 1HG2 THR 60 -5.284 -29.497 -4.218 460 HG22 THR 60 2HG2 THR 60 -4.301 -28.072 -4.546 461 HG23 THR 60 3HG2 THR 60 -5.995 -28.103 -5.035 462 H ALA 61 H ALA 61 -5.023 -24.362 -1.428 463 HA ALA 61 HA ALA 61 -6.860 -24.848 0.672 464 HB1 ALA 61 1HB ALA 61 -5.343 -22.312 0.059 465 HB2 ALA 61 2HB ALA 61 -4.729 -23.673 0.999 466 HB3 ALA 61 3HB ALA 61 -6.100 -22.735 1.596 467 H SER 62 H SER 62 -8.361 -23.053 1.453 468 HA SER 62 HA SER 62 -10.271 -22.603 -0.657 469 HB2 SER 62 2HB SER 62 -10.844 -23.460 1.666 470 HB3 SER 62 1HB SER 62 -10.442 -21.859 2.282 471 HG SER 62 HG SER 62 -12.411 -21.367 1.829 472 H LYS 63 H LYS 63 -11.347 -20.354 -0.721 473 HA LYS 63 HA LYS 63 -9.391 -18.541 -1.629 474 HB2 LYS 63 2HB LYS 63 -11.150 -17.155 -2.341 475 HB3 LYS 63 1HB LYS 63 -11.903 -18.737 -2.315 476 HG2 LYS 63 2HG LYS 63 -12.722 -18.053 0.038 477 HG3 LYS 63 1HG LYS 63 -12.277 -16.426 -0.450 478 HD2 LYS 63 2HD LYS 63 -14.567 -16.611 -0.956 479 HD3 LYS 63 1HD LYS 63 -13.742 -16.817 -2.501 480 HE2 LYS 63 2HE LYS 63 -15.522 -18.455 -2.251 481 HE3 LYS 63 1HE LYS 63 -13.953 -19.251 -2.292 482 HZ1 LYS 63 1HZ LYS 63 -15.271 -20.219 -0.530 483 HZ2 LYS 63 2HZ LYS 63 -15.616 -18.699 0.105 484 HZ3 LYS 63 3HZ LYS 63 -14.062 -19.309 0.212 485 H GLU 64 H GLU 64 -11.171 -18.722 1.356 486 HA GLU 64 HA GLU 64 -10.502 -16.238 2.456 487 HB2 GLU 64 2HB GLU 64 -10.803 -18.712 4.148 488 HB3 GLU 64 1HB GLU 64 -11.179 -17.058 4.569 489 HG2 GLU 64 2HG GLU 64 -13.261 -18.061 4.311 490 HG3 GLU 64 1HG GLU 64 -13.013 -17.231 2.774 491 H GLU 65 H GLU 65 -8.769 -19.270 2.340 492 HA GLU 65 HA GLU 65 -6.852 -18.595 4.321 493 HB2 GLU 65 2HB GLU 65 -6.789 -20.699 2.154 494 HB3 GLU 65 1HB GLU 65 -5.621 -20.574 3.463 495 HG2 GLU 65 2HG GLU 65 -7.359 -20.990 5.100 496 HG3 GLU 65 1HG GLU 65 -8.578 -21.019 3.828 497 H PHE 66 H PHE 66 -6.955 -18.366 0.811 498 HA PHE 66 HA PHE 66 -4.270 -17.395 0.560 499 HB2 PHE 66 2HB PHE 66 -6.604 -17.187 -1.357 500 HB3 PHE 66 1HB PHE 66 -4.957 -16.710 -1.739 501 HD1 PHE 66 1HD PHE 66 -3.163 -18.500 -1.548 502 HD2 PHE 66 2HD PHE 66 -7.317 -19.360 -1.724 503 HE1 PHE 66 1HE PHE 66 -2.655 -20.796 -2.255 504 HE2 PHE 66 2HE PHE 66 -6.817 -21.637 -2.427 505 HZ PHE 66 HZ PHE 66 -4.487 -22.369 -2.693 506 H ASP 67 H ASP 67 -7.451 -15.950 0.770 507 HA ASP 67 HA ASP 67 -6.756 -13.255 0.364 508 HB2 ASP 67 2HB ASP 67 -9.089 -14.232 0.415 509 HB3 ASP 67 1HB ASP 67 -8.949 -14.309 2.166 510 H ASP 68 H ASP 68 -6.913 -15.268 3.226 511 HA ASP 68 HA ASP 68 -6.303 -13.331 5.145 512 HB2 ASP 68 2HB ASP 68 -7.248 -15.600 5.613 513 HB3 ASP 68 1HB ASP 68 -5.654 -16.277 5.296 514 H LYS 69 H LYS 69 -4.076 -15.776 3.591 515 HA LYS 69 HA LYS 69 -1.743 -14.814 4.586 516 HB2 LYS 69 2HB LYS 69 -2.567 -16.367 2.232 517 HB3 LYS 69 1HB LYS 69 -0.976 -15.619 2.150 518 HG2 LYS 69 2HG LYS 69 -1.834 -17.230 4.506 519 HG3 LYS 69 1HG LYS 69 -1.125 -17.974 3.067 520 HD2 LYS 69 2HD LYS 69 0.867 -16.655 3.295 521 HD3 LYS 69 1HD LYS 69 0.168 -15.735 4.627 522 HE2 LYS 69 2HE LYS 69 0.371 -18.660 4.729 523 HE3 LYS 69 1HE LYS 69 1.808 -17.686 5.139 524 HZ1 LYS 69 1HZ LYS 69 0.557 -18.273 7.107 525 HZ2 LYS 69 2HZ LYS 69 -0.870 -17.627 6.465 526 HZ3 LYS 69 3HZ LYS 69 0.433 -16.617 6.843 527 H LEU 70 H LEU 70 -3.574 -13.591 1.860 528 HA LEU 70 HA LEU 70 -1.607 -11.834 0.896 529 HB2 LEU 70 2HB LEU 70 -3.687 -12.561 -0.321 530 HB3 LEU 70 1HB LEU 70 -4.623 -11.538 0.733 531 HG LEU 70 HG LEU 70 -4.228 -10.648 -1.590 532 HD11 LEU 70 1HD1 LEU 70 -4.888 -9.115 0.169 533 HD12 LEU 70 2HD1 LEU 70 -3.747 -8.347 -0.940 534 HD13 LEU 70 3HD1 LEU 70 -3.200 -8.905 0.642 535 HD21 LEU 70 1HD2 LEU 70 -1.943 -11.393 -1.879 536 HD22 LEU 70 2HD2 LEU 70 -1.403 -10.301 -0.600 537 HD23 LEU 70 3HD2 LEU 70 -2.072 -9.650 -2.096 538 H LYS 71 H LYS 71 -4.225 -11.365 3.224 539 HA LYS 71 HA LYS 71 -3.591 -8.638 3.724 540 HB2 LYS 71 2HB LYS 71 -5.161 -10.593 5.381 541 HB3 LYS 71 1HB LYS 71 -5.060 -8.864 5.678 542 HG2 LYS 71 2HG LYS 71 -6.115 -8.401 3.551 543 HG3 LYS 71 1HG LYS 71 -6.160 -10.126 3.186 544 HD2 LYS 71 2HD LYS 71 -8.315 -9.395 3.976 545 HD3 LYS 71 1HD LYS 71 -7.579 -10.480 5.157 546 HE2 LYS 71 2HE LYS 71 -6.871 -8.489 6.462 547 HE3 LYS 71 1HE LYS 71 -7.712 -7.470 5.292 548 HZ1 LYS 71 1HZ LYS 71 -9.786 -8.584 5.902 549 HZ2 LYS 71 2HZ LYS 71 -9.029 -7.907 7.253 550 HZ3 LYS 71 3HZ LYS 71 -8.940 -9.555 6.992 551 H GLU 72 H GLU 72 -2.665 -11.654 5.184 552 HA GLU 72 HA GLU 72 -1.333 -10.623 7.437 553 HB2 GLU 72 2HB GLU 72 -1.971 -12.996 7.065 554 HB3 GLU 72 1HB GLU 72 -0.726 -13.108 5.836 555 HG2 GLU 72 2HG GLU 72 0.969 -12.638 7.539 556 HG3 GLU 72 1HG GLU 72 -0.302 -12.593 8.763 557 H LEU 73 H LEU 73 -0.237 -11.438 4.170 558 HA LEU 73 HA LEU 73 2.459 -10.729 4.386 559 HB2 LEU 73 2HB LEU 73 1.359 -12.026 2.516 560 HB3 LEU 73 1HB LEU 73 0.620 -10.549 1.967 561 HG LEU 73 HG LEU 73 2.529 -11.334 0.581 562 HD11 LEU 73 1HD1 LEU 73 1.916 -8.988 0.514 563 HD12 LEU 73 2HD1 LEU 73 3.648 -9.224 0.296 564 HD13 LEU 73 3HD1 LEU 73 3.027 -8.652 1.846 565 HD21 LEU 73 1HD2 LEU 73 4.811 -11.075 1.399 566 HD22 LEU 73 2HD2 LEU 73 3.915 -12.267 2.347 567 HD23 LEU 73 3HD2 LEU 73 4.196 -10.651 2.995 568 H GLN 74 H GLN 74 -0.347 -8.871 3.311 569 HA GLN 74 HA GLN 74 0.976 -6.446 2.931 570 HB2 GLN 74 2HB GLN 74 -1.905 -7.125 3.378 571 HB3 GLN 74 1HB GLN 74 -1.381 -5.455 3.250 572 HG2 GLN 74 2HG GLN 74 -0.881 -7.568 1.163 573 HG3 GLN 74 1HG GLN 74 -2.186 -6.377 1.110 574 HE21 GLN 74 1HE2 GLN 74 0.080 -6.778 -0.719 575 HE22 GLN 74 2HE2 GLN 74 0.906 -5.260 -0.765 576 H ASP 75 H ASP 75 -0.563 -7.713 5.857 577 HA ASP 75 HA ASP 75 -0.291 -5.305 7.310 578 HB2 ASP 75 2HB ASP 75 -1.794 -7.065 8.098 579 HB3 ASP 75 1HB ASP 75 -0.420 -8.126 8.412 580 H ILE 76 H ILE 76 1.887 -7.990 6.833 581 HA ILE 76 HA ILE 76 3.838 -7.020 8.689 582 HB ILE 76 HB ILE 76 4.124 -9.002 6.410 583 HG12 ILE 76 2HG1 ILE 76 2.604 -9.791 8.150 584 HG13 ILE 76 1HG1 ILE 76 4.093 -10.724 8.175 585 HG21 ILE 76 1HG2 ILE 76 6.228 -9.724 7.459 586 HG22 ILE 76 2HG2 ILE 76 6.092 -8.404 8.620 587 HG23 ILE 76 3HG2 ILE 76 6.304 -8.050 6.907 588 HD11 ILE 76 1HD1 ILE 76 3.325 -8.520 10.085 589 HD12 ILE 76 2HD1 ILE 76 4.855 -9.387 10.097 590 HD13 ILE 76 3HD1 ILE 76 3.357 -10.252 10.423 591 H ALA 77 H ALA 77 3.366 -6.714 5.208 592 HA ALA 77 HA ALA 77 5.866 -5.401 4.772 593 HB1 ALA 77 1HB ALA 77 3.495 -5.623 2.935 594 HB2 ALA 77 2HB ALA 77 4.810 -6.790 3.062 595 HB3 ALA 77 3HB ALA 77 5.130 -5.153 2.477 596 H ASN 78 H ASN 78 2.629 -4.279 5.396 597 HA ASN 78 HA ASN 78 2.685 -1.763 4.306 598 HB2 ASN 78 2HB ASN 78 0.680 -2.889 5.329 599 HB3 ASN 78 1HB ASN 78 1.281 -2.436 6.910 600 HD21 ASN 78 1HD2 ASN 78 -1.197 -1.754 5.586 601 HD22 ASN 78 2HD2 ASN 78 -1.281 -0.035 5.524 602 HA PRO 79 HA PRO 79 4.594 0.296 8.313 603 HB2 PRO 79 2HB PRO 79 6.188 -1.930 9.446 604 HB3 PRO 79 1HB PRO 79 5.229 -0.707 10.282 605 HG2 PRO 79 2HG PRO 79 4.377 -3.206 10.150 606 HG3 PRO 79 1HG PRO 79 3.241 -1.855 9.968 607 HD2 PRO 79 2HD PRO 79 4.472 -3.587 7.850 608 HD3 PRO 79 1HD PRO 79 2.787 -3.060 8.019 609 H ILE 80 H ILE 80 6.218 -2.291 6.633 610 HA ILE 80 HA ILE 80 8.765 -1.028 6.560 611 HB ILE 80 HB ILE 80 7.563 -3.432 5.217 612 HG12 ILE 80 2HG1 ILE 80 9.614 -4.550 6.234 613 HG13 ILE 80 1HG1 ILE 80 9.960 -3.006 6.991 614 HG21 ILE 80 1HG2 ILE 80 9.622 -3.878 3.966 615 HG22 ILE 80 2HG2 ILE 80 10.210 -2.273 4.405 616 HG23 ILE 80 3HG2 ILE 80 8.771 -2.441 3.399 617 HD11 ILE 80 1HD1 ILE 80 7.893 -3.134 8.252 618 HD12 ILE 80 2HD1 ILE 80 8.903 -4.557 8.521 619 HD13 ILE 80 3HD1 ILE 80 7.495 -4.664 7.464 620 H MET 81 H MET 81 5.985 -1.143 4.477 621 HA MET 81 HA MET 81 7.121 0.287 2.334 622 HB2 MET 81 2HB MET 81 4.259 -0.145 3.154 623 HB3 MET 81 1HB MET 81 4.697 0.779 1.715 624 HG2 MET 81 2HG MET 81 5.512 -2.064 2.261 625 HG3 MET 81 1HG MET 81 4.184 -1.558 1.209 626 HE1 MET 81 1HE MET 81 7.461 -2.954 1.011 627 HE2 MET 81 2HE MET 81 7.627 -2.790 -0.738 628 HE3 MET 81 3HE MET 81 6.139 -3.453 -0.052 629 H SER 82 H SER 82 5.731 1.291 5.333 630 HA SER 82 HA SER 82 5.440 4.027 4.728 631 HB2 SER 82 2HB SER 82 6.161 2.780 7.391 632 HB3 SER 82 1HB SER 82 5.390 4.348 7.131 633 HG SER 82 HG SER 82 4.021 2.459 5.840 634 H LYS 83 H LYS 83 8.173 2.029 5.689 635 HA LYS 83 HA LYS 83 9.949 4.232 5.921 636 HB2 LYS 83 2HB LYS 83 10.441 1.272 5.731 637 HB3 LYS 83 1HB LYS 83 11.763 2.423 5.719 638 HG2 LYS 83 2HG LYS 83 10.985 3.240 7.939 639 HG3 LYS 83 1HG LYS 83 9.780 1.944 7.938 640 HD2 LYS 83 2HD LYS 83 11.552 0.274 7.785 641 HD3 LYS 83 1HD LYS 83 12.772 1.543 7.715 642 HE2 LYS 83 2HE LYS 83 12.142 2.268 9.966 643 HE3 LYS 83 1HE LYS 83 10.911 1.011 10.035 644 HZ1 LYS 83 1HZ LYS 83 12.782 -0.621 9.716 645 HZ2 LYS 83 2HZ LYS 83 12.780 0.196 11.173 646 HZ3 LYS 83 3HZ LYS 83 13.878 0.637 9.994 647 H LEU 84 H LEU 84 9.264 1.824 3.343 648 HA LEU 84 HA LEU 84 11.199 2.587 1.542 649 HB2 LEU 84 2HB LEU 84 9.847 0.638 1.159 650 HB3 LEU 84 1HB LEU 84 8.395 1.613 1.037 651 HG LEU 84 HG LEU 84 9.266 2.642 -1.025 652 HD11 LEU 84 1HD1 LEU 84 11.626 2.426 -0.635 653 HD12 LEU 84 2HD1 LEU 84 11.185 1.651 -2.159 654 HD13 LEU 84 3HD1 LEU 84 11.507 0.668 -0.731 655 HD21 LEU 84 1HD2 LEU 84 9.165 -0.366 -1.078 656 HD22 LEU 84 2HD2 LEU 84 8.988 0.697 -2.473 657 HD23 LEU 84 3HD2 LEU 84 7.787 0.730 -1.182 658 H TYR 85 H TYR 85 7.850 3.777 1.603 659 HA TYR 85 HA TYR 85 8.187 5.586 -0.504 660 HB2 TYR 85 2HB TYR 85 6.135 5.492 1.707 661 HB3 TYR 85 1HB TYR 85 6.102 6.705 0.438 662 HD1 TYR 85 1HD TYR 85 5.731 3.093 1.145 663 HD2 TYR 85 2HD TYR 85 5.335 6.163 -1.754 664 HE1 TYR 85 1HE TYR 85 4.435 1.570 -0.287 665 HE2 TYR 85 2HE TYR 85 4.039 4.649 -3.194 666 HH TYR 85 HH TYR 85 3.687 2.308 -3.540 667 H GLN 86 H GLN 86 8.527 6.058 2.982 668 HA GLN 86 HA GLN 86 8.937 8.860 2.602 669 HB2 GLN 86 2HB GLN 86 9.124 7.184 5.082 670 HB3 GLN 86 1HB GLN 86 9.329 8.933 5.049 671 HG2 GLN 86 2HG GLN 86 7.049 9.142 4.117 672 HG3 GLN 86 1HG GLN 86 6.861 7.402 4.274 673 HE21 GLN 86 1HE2 GLN 86 8.313 7.299 6.806 674 HE22 GLN 86 2HE2 GLN 86 7.254 7.964 7.988 675 H ALA 87 H ALA 87 11.031 6.238 2.359 676 HA ALA 87 HA ALA 87 13.333 7.858 3.119 677 HB1 ALA 87 1HB ALA 87 13.293 5.511 3.824 678 HB2 ALA 87 2HB ALA 87 14.667 5.856 2.773 679 HB3 ALA 87 3HB ALA 87 13.260 5.011 2.133 680 H GLY 88 H GLY 88 11.492 7.286 0.377 681 HA2 GLY 88 2HA GLY 88 12.408 9.034 -1.309 682 HA3 GLY 88 1HA GLY 88 13.744 7.889 -1.387 683 H GLY 89 H GLY 89 10.266 7.436 -1.119 684 HA2 GLY 89 2HA GLY 89 10.281 6.174 -3.742 685 HA3 GLY 89 1HA GLY 89 9.748 5.277 -2.311 686 H ALA 90 H ALA 90 9.275 8.626 -2.382 687 HA ALA 90 HA ALA 90 6.554 8.474 -1.793 688 HB1 ALA 90 1HB ALA 90 7.989 10.326 -1.103 689 HB2 ALA 90 2HB ALA 90 6.571 10.909 -1.975 690 HB3 ALA 90 3HB ALA 90 8.139 10.845 -2.785 691 HA PRO 91 HA PRO 91 4.571 7.903 -5.726 692 HB2 PRO 91 2HB PRO 91 2.585 9.849 -4.645 693 HB3 PRO 91 1HB PRO 91 2.313 8.245 -5.338 694 HG2 PRO 91 2HG PRO 91 2.158 8.558 -2.726 695 HG3 PRO 91 1HG PRO 91 3.013 7.155 -3.392 696 HD2 PRO 91 2HD PRO 91 4.140 9.684 -2.264 697 HD3 PRO 91 1HD PRO 91 4.667 8.006 -2.028 698 H GLY 92 H GLY 92 5.785 8.886 -7.231 699 HA2 GLY 92 2HA GLY 92 5.918 10.381 -9.008 700 HA3 GLY 92 1HA GLY 92 4.860 11.478 -8.136 701 H GLY 93 H GLY 93 7.171 10.583 -6.004 702 HA2 GLY 93 2HA GLY 93 9.070 11.582 -5.202 703 HA3 GLY 93 1HA GLY 93 9.336 12.242 -6.813 704 H ALA 94 H ALA 94 8.654 14.235 -7.323 705 HA ALA 94 HA ALA 94 8.215 16.398 -7.124 706 HB1 ALA 94 1HB ALA 94 6.370 17.187 -5.721 707 HB2 ALA 94 2HB ALA 94 6.371 15.662 -4.836 708 HB3 ALA 94 3HB ALA 94 5.915 15.693 -6.540 709 H ALA 95 H ALA 95 8.137 15.460 -3.727 710 HA ALA 95 HA ALA 95 10.241 17.421 -3.219 711 HB1 ALA 95 1HB ALA 95 8.251 17.629 -1.794 712 HB2 ALA 95 2HB ALA 95 9.643 17.138 -0.829 713 HB3 ALA 95 3HB ALA 95 8.424 15.951 -1.286 714 H GLY 96 H GLY 96 11.969 16.295 -3.963 715 HA2 GLY 96 2HA GLY 96 13.808 14.927 -3.267 716 HA3 GLY 96 1HA GLY 96 12.647 13.847 -2.490 717 H GLY 97 H GLY 97 14.194 12.459 -3.989 718 HA2 GLY 97 2HA GLY 97 12.919 12.257 -6.625 719 HA3 GLY 97 1HA GLY 97 14.544 11.696 -6.245 720 H ALA 98 H ALA 98 12.257 10.248 -7.377 721 HA ALA 98 HA ALA 98 12.266 8.053 -5.474 722 HB1 ALA 98 1HB ALA 98 9.888 7.608 -5.945 723 HB2 ALA 98 2HB ALA 98 9.816 9.080 -6.916 724 HB3 ALA 98 3HB ALA 98 10.112 9.183 -5.181 725 HA PRO 99 HA PRO 99 13.960 6.438 -9.356 726 HB2 PRO 99 2HB PRO 99 13.823 3.974 -7.694 727 HB3 PRO 99 1HB PRO 99 15.172 4.607 -8.642 728 HG2 PRO 99 2HG PRO 99 15.196 4.833 -6.007 729 HG3 PRO 99 1HG PRO 99 15.742 6.179 -7.026 730 HD2 PRO 99 2HD PRO 99 13.156 5.846 -5.557 731 HD3 PRO 99 1HD PRO 99 14.161 7.299 -5.785 732 H GLY 100 H GLY 100 12.594 6.056 -10.967 733 HA2 GLY 100 2HA GLY 100 11.274 3.747 -11.454 734 HA3 GLY 100 1HA GLY 100 10.109 4.696 -10.542 735 H GLY 101 H GLY 101 9.217 6.514 -11.434 736 HA2 GLY 101 2HA GLY 101 9.865 7.615 -13.896 737 HA3 GLY 101 1HA GLY 101 8.692 6.321 -14.160 Start of MODEL 8 1 H1 SER 1 1HT SER 1 -19.823 -25.301 -12.169 2 H2 SER 1 2HT SER 1 -19.713 -24.268 -13.474 3 H3 SER 1 3HT SER 1 -20.466 -25.815 -13.652 4 HA SER 1 HA SER 1 -22.171 -24.189 -13.518 5 HB2 SER 1 2HB SER 1 -21.815 -25.354 -10.752 6 HB3 SER 1 1HB SER 1 -23.331 -25.058 -11.601 7 HG SER 1 HG SER 1 -21.500 -27.096 -11.817 8 H LYS 2 H LYS 2 -23.015 -22.311 -12.366 9 HA LYS 2 HA LYS 2 -21.101 -20.363 -12.141 10 HB2 LYS 2 2HB LYS 2 -23.467 -19.927 -12.602 11 HB3 LYS 2 1HB LYS 2 -23.857 -20.263 -10.924 12 HG2 LYS 2 2HG LYS 2 -22.501 -18.345 -10.222 13 HG3 LYS 2 1HG LYS 2 -22.088 -18.030 -11.903 14 HD2 LYS 2 2HD LYS 2 -24.464 -17.673 -12.411 15 HD3 LYS 2 1HD LYS 2 -24.862 -17.958 -10.717 16 HE2 LYS 2 2HE LYS 2 -22.992 -15.801 -11.659 17 HE3 LYS 2 1HE LYS 2 -24.717 -15.542 -11.400 18 HZ1 LYS 2 1HZ LYS 2 -23.368 -14.839 -9.521 19 HZ2 LYS 2 2HZ LYS 2 -22.786 -16.409 -9.264 20 HZ3 LYS 2 3HZ LYS 2 -24.425 -16.051 -9.088 21 H GLU 3 H GLU 3 -22.705 -21.934 -9.336 22 HA GLU 3 HA GLU 3 -21.459 -20.382 -7.372 23 HB2 GLU 3 2HB GLU 3 -23.363 -21.877 -6.915 24 HB3 GLU 3 1HB GLU 3 -22.331 -23.267 -7.190 25 HG2 GLU 3 2HG GLU 3 -22.628 -22.957 -4.831 26 HG3 GLU 3 1HG GLU 3 -20.957 -22.600 -5.258 27 H GLU 4 H GLU 4 -20.402 -23.533 -8.672 28 HA GLU 4 HA GLU 4 -18.083 -23.640 -7.042 29 HB2 GLU 4 2HB GLU 4 -17.414 -25.554 -8.317 30 HB3 GLU 4 1HB GLU 4 -19.156 -25.650 -8.042 31 HG2 GLU 4 2HG GLU 4 -19.461 -24.727 -10.346 32 HG3 GLU 4 1HG GLU 4 -17.729 -24.881 -10.575 33 H ASP 5 H ASP 5 -18.715 -22.412 -10.261 34 HA ASP 5 HA ASP 5 -15.986 -22.093 -10.964 35 HB2 ASP 5 2HB ASP 5 -18.495 -20.915 -12.163 36 HB3 ASP 5 1HB ASP 5 -16.894 -20.517 -12.764 37 H GLU 6 H GLU 6 -18.323 -20.089 -9.357 38 HA GLU 6 HA GLU 6 -16.675 -17.743 -9.438 39 HB2 GLU 6 2HB GLU 6 -18.973 -18.439 -7.602 40 HB3 GLU 6 1HB GLU 6 -18.158 -16.885 -7.603 41 HG2 GLU 6 2HG GLU 6 -18.867 -16.543 -9.936 42 HG3 GLU 6 1HG GLU 6 -19.721 -18.085 -9.877 43 H LYS 7 H LYS 7 -17.303 -20.251 -7.059 44 HA LYS 7 HA LYS 7 -15.635 -19.305 -5.036 45 HB2 LYS 7 2HB LYS 7 -16.440 -22.127 -5.740 46 HB3 LYS 7 1HB LYS 7 -15.490 -21.734 -4.317 47 HG2 LYS 7 2HG LYS 7 -18.243 -20.635 -4.888 48 HG3 LYS 7 1HG LYS 7 -17.909 -22.024 -3.851 49 HD2 LYS 7 2HD LYS 7 -16.539 -20.604 -2.396 50 HD3 LYS 7 1HD LYS 7 -16.860 -19.225 -3.442 51 HE2 LYS 7 2HE LYS 7 -18.959 -20.773 -1.930 52 HE3 LYS 7 1HE LYS 7 -18.252 -19.249 -1.409 53 HZ1 LYS 7 1HZ LYS 7 -20.312 -18.793 -2.456 54 HZ2 LYS 7 2HZ LYS 7 -19.968 -19.681 -3.823 55 HZ3 LYS 7 3HZ LYS 7 -19.110 -18.255 -3.489 56 H GLU 8 H GLU 8 -14.826 -21.551 -7.684 57 HA GLU 8 HA GLU 8 -12.154 -21.829 -6.882 58 HB2 GLU 8 2HB GLU 8 -13.402 -22.264 -9.588 59 HB3 GLU 8 1HB GLU 8 -11.737 -22.668 -9.199 60 HG2 GLU 8 2HG GLU 8 -14.196 -23.842 -7.916 61 HG3 GLU 8 1HG GLU 8 -13.134 -24.611 -9.101 62 H SER 9 H SER 9 -13.576 -19.678 -9.345 63 HA SER 9 HA SER 9 -11.096 -18.682 -10.172 64 HB2 SER 9 2HB SER 9 -12.401 -16.803 -11.185 65 HB3 SER 9 1HB SER 9 -12.953 -18.419 -11.625 66 HG SER 9 HG SER 9 -14.715 -18.192 -10.422 67 H GLN 10 H GLN 10 -13.161 -17.637 -7.532 68 HA GLN 10 HA GLN 10 -11.657 -15.269 -7.040 69 HB2 GLN 10 2HB GLN 10 -13.555 -16.779 -5.227 70 HB3 GLN 10 1HB GLN 10 -12.842 -15.208 -4.857 71 HG2 GLN 10 2HG GLN 10 -14.584 -15.781 -7.227 72 HG3 GLN 10 1HG GLN 10 -15.122 -15.022 -5.729 73 HE21 GLN 10 1HE2 GLN 10 -14.988 -14.063 -8.518 74 HE22 GLN 10 2HE2 GLN 10 -14.094 -12.591 -8.457 75 H ARG 11 H ARG 11 -11.431 -18.571 -5.918 76 HA ARG 11 HA ARG 11 -9.385 -18.174 -3.991 77 HB2 ARG 11 2HB ARG 11 -10.064 -20.525 -5.734 78 HB3 ARG 11 1HB ARG 11 -8.793 -20.568 -4.526 79 HG2 ARG 11 2HG ARG 11 -10.408 -20.222 -2.776 80 HG3 ARG 11 1HG ARG 11 -11.693 -20.035 -3.974 81 HD2 ARG 11 2HD ARG 11 -11.595 -22.280 -2.948 82 HD3 ARG 11 1HD ARG 11 -11.422 -22.300 -4.709 83 HE ARG 11 HE ARG 11 -8.906 -22.210 -3.387 84 HH11 ARG 11 1HH1 ARG 11 -11.393 -24.380 -4.653 85 HH12 ARG 11 2HH1 ARG 11 -10.523 -25.801 -4.387 86 HH21 ARG 11 1HH2 ARG 11 -7.628 -24.187 -3.084 87 HH22 ARG 11 2HH2 ARG 11 -8.342 -25.690 -3.466 88 H ILE 12 H ILE 12 -9.380 -18.995 -7.404 89 HA ILE 12 HA ILE 12 -6.622 -19.103 -7.817 90 HB ILE 12 HB ILE 12 -8.774 -18.265 -9.787 91 HG12 ILE 12 2HG1 ILE 12 -9.127 -20.486 -8.696 92 HG13 ILE 12 1HG1 ILE 12 -8.906 -20.613 -10.446 93 HG21 ILE 12 1HG2 ILE 12 -7.202 -19.007 -11.539 94 HG22 ILE 12 2HG2 ILE 12 -5.979 -19.295 -10.303 95 HG23 ILE 12 3HG2 ILE 12 -6.561 -17.657 -10.602 96 HD11 ILE 12 1HD1 ILE 12 -7.814 -22.379 -9.266 97 HD12 ILE 12 2HD1 ILE 12 -6.923 -21.225 -8.265 98 HD13 ILE 12 3HD1 ILE 12 -6.590 -21.339 -10.001 99 H ALA 13 H ALA 13 -8.881 -16.383 -8.091 100 HA ALA 13 HA ALA 13 -7.080 -14.415 -8.886 101 HB1 ALA 13 1HB ALA 13 -9.515 -14.092 -8.871 102 HB2 ALA 13 2HB ALA 13 -8.687 -12.794 -8.013 103 HB3 ALA 13 3HB ALA 13 -9.495 -14.076 -7.108 104 H SER 14 H SER 14 -7.959 -15.512 -5.647 105 HA SER 14 HA SER 14 -6.327 -13.640 -4.283 106 HB2 SER 14 2HB SER 14 -7.382 -16.323 -3.337 107 HB3 SER 14 1HB SER 14 -6.740 -15.048 -2.299 108 HG SER 14 HG SER 14 -9.002 -14.788 -4.016 109 H LYS 15 H LYS 15 -5.843 -16.943 -5.400 110 HA LYS 15 HA LYS 15 -3.279 -17.456 -4.416 111 HB2 LYS 15 2HB LYS 15 -4.627 -19.202 -5.406 112 HB3 LYS 15 1HB LYS 15 -4.698 -18.347 -6.933 113 HG2 LYS 15 2HG LYS 15 -3.232 -20.233 -7.138 114 HG3 LYS 15 1HG LYS 15 -2.283 -18.746 -7.222 115 HD2 LYS 15 2HD LYS 15 -1.560 -19.060 -4.926 116 HD3 LYS 15 1HD LYS 15 -2.594 -20.489 -4.791 117 HE2 LYS 15 2HE LYS 15 -0.252 -21.144 -5.195 118 HE3 LYS 15 1HE LYS 15 -1.299 -21.620 -6.518 119 HZ1 LYS 15 1HZ LYS 15 0.520 -19.240 -6.543 120 HZ2 LYS 15 2HZ LYS 15 -0.474 -19.724 -7.817 121 HZ3 LYS 15 3HZ LYS 15 0.771 -20.695 -7.309 122 H ASN 16 H ASN 16 -4.346 -15.959 -7.431 123 HA ASN 16 HA ASN 16 -1.828 -15.366 -8.540 124 HB2 ASN 16 2HB ASN 16 -4.461 -13.898 -8.858 125 HB3 ASN 16 1HB ASN 16 -3.024 -13.551 -9.797 126 HD21 ASN 16 1HD2 ASN 16 -2.314 -16.404 -10.112 127 HD22 ASN 16 2HD2 ASN 16 -3.466 -17.017 -11.231 128 H GLN 17 H GLN 17 -3.992 -13.457 -6.506 129 HA GLN 17 HA GLN 17 -2.451 -11.122 -6.487 130 HB2 GLN 17 2HB GLN 17 -4.852 -11.276 -5.803 131 HB3 GLN 17 1HB GLN 17 -4.338 -12.073 -4.324 132 HG2 GLN 17 2HG GLN 17 -4.797 -9.754 -3.874 133 HG3 GLN 17 1HG GLN 17 -3.065 -10.045 -3.713 134 HE21 GLN 17 1HE2 GLN 17 -2.615 -7.851 -4.064 135 HE22 GLN 17 2HE2 GLN 17 -2.726 -7.146 -5.629 136 H LEU 18 H LEU 18 -2.535 -13.770 -4.128 137 HA LEU 18 HA LEU 18 -0.623 -12.675 -2.389 138 HB2 LEU 18 2HB LEU 18 -1.638 -15.431 -2.871 139 HB3 LEU 18 1HB LEU 18 -0.144 -15.254 -1.981 140 HG LEU 18 HG LEU 18 -2.062 -15.533 -0.506 141 HD11 LEU 18 1HD1 LEU 18 -0.790 -12.806 -0.327 142 HD12 LEU 18 2HD1 LEU 18 -0.129 -14.319 0.284 143 HD13 LEU 18 3HD1 LEU 18 -1.599 -13.664 0.981 144 HD21 LEU 18 1HD2 LEU 18 -3.760 -14.438 -1.921 145 HD22 LEU 18 2HD2 LEU 18 -3.026 -12.871 -1.568 146 HD23 LEU 18 3HD2 LEU 18 -3.754 -13.830 -0.272 147 H GLU 19 H GLU 19 -0.253 -14.807 -5.143 148 HA GLU 19 HA GLU 19 2.512 -15.214 -4.881 149 HB2 GLU 19 2HB GLU 19 0.995 -16.633 -6.205 150 HB3 GLU 19 1HB GLU 19 0.779 -15.315 -7.341 151 HG2 GLU 19 2HG GLU 19 3.113 -15.390 -7.900 152 HG3 GLU 19 1HG GLU 19 3.369 -16.711 -6.754 153 H SER 20 H SER 20 0.610 -12.944 -6.844 154 HA SER 20 HA SER 20 2.784 -11.736 -8.116 155 HB2 SER 20 2HB SER 20 0.405 -11.628 -8.886 156 HB3 SER 20 1HB SER 20 0.051 -10.558 -7.534 157 HG SER 20 HG SER 20 1.170 -10.074 -9.923 158 H ILE 21 H ILE 21 1.021 -10.895 -5.110 159 HA ILE 21 HA ILE 21 2.494 -8.549 -4.668 160 HB ILE 21 HB ILE 21 0.855 -10.272 -2.799 161 HG12 ILE 21 2HG1 ILE 21 -0.426 -9.061 -4.477 162 HG13 ILE 21 1HG1 ILE 21 -0.733 -8.404 -2.876 163 HG21 ILE 21 1HG2 ILE 21 2.560 -9.219 -1.469 164 HG22 ILE 21 2HG2 ILE 21 0.984 -8.487 -1.134 165 HG23 ILE 21 3HG2 ILE 21 2.159 -7.645 -2.157 166 HD11 ILE 21 1HD1 ILE 21 1.026 -7.181 -5.006 167 HD12 ILE 21 2HD1 ILE 21 0.807 -6.544 -3.381 168 HD13 ILE 21 3HD1 ILE 21 -0.563 -6.623 -4.488 169 H ALA 22 H ALA 22 3.003 -11.905 -3.651 170 HA ALA 22 HA ALA 22 5.143 -11.388 -1.933 171 HB1 ALA 22 1HB ALA 22 4.651 -13.839 -3.626 172 HB2 ALA 22 2HB ALA 22 3.991 -13.554 -2.016 173 HB3 ALA 22 3HB ALA 22 5.727 -13.749 -2.233 174 H TYR 23 H TYR 23 5.069 -11.955 -5.438 175 HA TYR 23 HA TYR 23 7.895 -11.757 -5.730 176 HB2 TYR 23 2HB TYR 23 5.704 -11.331 -7.772 177 HB3 TYR 23 1HB TYR 23 7.417 -11.350 -8.160 178 HD1 TYR 23 1HD TYR 23 5.045 -13.161 -9.117 179 HD2 TYR 23 2HD TYR 23 8.142 -13.679 -6.249 180 HE1 TYR 23 1HE TYR 23 4.929 -15.598 -9.411 181 HE2 TYR 23 2HE TYR 23 8.022 -16.098 -6.544 182 HH TYR 23 HH TYR 23 6.368 -17.770 -7.297 183 H SER 24 H SER 24 5.280 -9.432 -6.080 184 HA SER 24 HA SER 24 6.805 -7.266 -6.941 185 HB2 SER 24 2HB SER 24 4.220 -7.286 -5.370 186 HB3 SER 24 1HB SER 24 4.872 -5.884 -6.215 187 HG SER 24 HG SER 24 4.023 -8.349 -7.311 188 H LEU 25 H LEU 25 6.036 -8.387 -3.713 189 HA LEU 25 HA LEU 25 7.049 -6.222 -2.266 190 HB2 LEU 25 2HB LEU 25 5.589 -8.024 -1.358 191 HB3 LEU 25 1HB LEU 25 6.934 -9.137 -1.499 192 HG LEU 25 HG LEU 25 8.168 -7.932 0.226 193 HD11 LEU 25 1HD1 LEU 25 7.344 -5.673 -0.233 194 HD12 LEU 25 2HD1 LEU 25 7.105 -6.106 1.458 195 HD13 LEU 25 3HD1 LEU 25 5.744 -6.138 0.341 196 HD21 LEU 25 1HD2 LEU 25 6.606 -9.700 0.909 197 HD22 LEU 25 2HD2 LEU 25 5.325 -8.503 1.042 198 HD23 LEU 25 3HD2 LEU 25 6.720 -8.424 2.117 199 H LYS 26 H LYS 26 8.532 -9.325 -3.191 200 HA LYS 26 HA LYS 26 11.019 -8.812 -2.009 201 HB2 LYS 26 2HB LYS 26 10.380 -10.641 -4.332 202 HB3 LYS 26 1HB LYS 26 11.927 -10.618 -3.492 203 HG2 LYS 26 2HG LYS 26 10.711 -11.190 -1.391 204 HG3 LYS 26 1HG LYS 26 9.246 -11.349 -2.340 205 HD2 LYS 26 2HD LYS 26 11.761 -13.005 -2.740 206 HD3 LYS 26 1HD LYS 26 10.368 -13.515 -1.804 207 HE2 LYS 26 2HE LYS 26 10.109 -14.601 -3.869 208 HE3 LYS 26 1HE LYS 26 9.035 -13.219 -3.990 209 HZ1 LYS 26 1HZ LYS 26 10.344 -13.612 -6.004 210 HZ2 LYS 26 2HZ LYS 26 11.768 -13.373 -5.187 211 HZ3 LYS 26 3HZ LYS 26 10.699 -12.105 -5.396 212 H ASN 27 H ASN 27 9.942 -8.256 -5.299 213 HA ASN 27 HA ASN 27 12.405 -7.279 -6.251 214 HB2 ASN 27 2HB ASN 27 9.580 -6.901 -7.241 215 HB3 ASN 27 1HB ASN 27 10.972 -6.226 -8.072 216 HD21 ASN 27 1HD2 ASN 27 10.491 -7.469 -9.897 217 HD22 ASN 27 2HD2 ASN 27 10.838 -9.160 -9.962 218 H THR 28 H THR 28 9.634 -5.581 -4.860 219 HA THR 28 HA THR 28 10.748 -3.029 -5.378 220 HB THR 28 HB THR 28 8.586 -3.735 -3.389 221 HG1 THR 28 1HG THR 28 7.866 -4.406 -5.336 222 HG21 THR 28 1HG2 THR 28 9.500 -1.463 -3.110 223 HG22 THR 28 2HG2 THR 28 7.855 -1.405 -3.741 224 HG23 THR 28 3HG2 THR 28 9.226 -1.145 -4.823 225 H ILE 29 H ILE 29 10.770 -5.138 -2.474 226 HA ILE 29 HA ILE 29 12.031 -3.190 -0.846 227 HB ILE 29 HB ILE 29 12.211 -6.223 -0.500 228 HG12 ILE 29 2HG1 ILE 29 9.864 -5.432 -0.582 229 HG13 ILE 29 1HG1 ILE 29 10.308 -6.028 1.009 230 HG21 ILE 29 1HG2 ILE 29 12.741 -5.781 1.785 231 HG22 ILE 29 2HG2 ILE 29 12.478 -4.058 1.548 232 HG23 ILE 29 3HG2 ILE 29 13.840 -4.841 0.754 233 HD11 ILE 29 1HD1 ILE 29 10.588 -3.696 1.761 234 HD12 ILE 29 2HD1 ILE 29 8.957 -4.060 1.206 235 HD13 ILE 29 3HD1 ILE 29 10.051 -3.141 0.171 236 H SER 30 H SER 30 13.225 -5.410 -3.248 237 HA SER 30 HA SER 30 15.935 -5.225 -2.431 238 HB2 SER 30 2HB SER 30 14.746 -6.117 -5.060 239 HB3 SER 30 1HB SER 30 16.433 -6.326 -4.576 240 HG SER 30 HG SER 30 14.106 -7.468 -3.464 241 H GLU 31 H GLU 31 13.868 -3.084 -4.214 242 HA GLU 31 HA GLU 31 16.080 -1.878 -5.606 243 HB2 GLU 31 2HB GLU 31 14.547 -0.447 -6.653 244 HB3 GLU 31 1HB GLU 31 13.581 -1.876 -6.371 245 HG2 GLU 31 2HG GLU 31 12.072 -0.339 -5.675 246 HG3 GLU 31 1HG GLU 31 12.965 -0.468 -4.160 247 H ALA 32 H ALA 32 14.557 -1.642 -2.597 248 HA ALA 32 HA ALA 32 15.131 0.938 -1.779 249 HB1 ALA 32 1HB ALA 32 13.710 -0.645 -0.511 250 HB2 ALA 32 2HB ALA 32 14.928 0.151 0.486 251 HB3 ALA 32 3HB ALA 32 15.168 -1.516 -0.034 252 H GLY 33 H GLY 33 17.120 -1.962 -1.587 253 HA2 GLY 33 2HA GLY 33 19.389 -2.206 -1.399 254 HA3 GLY 33 1HA GLY 33 19.524 -0.518 -1.884 255 H ASP 34 H ASP 34 20.040 0.971 -0.402 256 HA ASP 34 HA ASP 34 20.628 -0.006 2.316 257 HB2 ASP 34 2HB ASP 34 22.236 1.681 2.458 258 HB3 ASP 34 1HB ASP 34 22.294 1.156 0.766 259 H LYS 35 H LYS 35 18.387 1.609 0.655 260 HA LYS 35 HA LYS 35 17.690 3.702 2.526 261 HB2 LYS 35 2HB LYS 35 15.954 2.615 0.309 262 HB3 LYS 35 1HB LYS 35 15.756 4.157 1.131 263 HG2 LYS 35 2HG LYS 35 18.019 4.803 0.213 264 HG3 LYS 35 1HG LYS 35 17.943 3.342 -0.767 265 HD2 LYS 35 2HD LYS 35 16.033 5.689 -0.854 266 HD3 LYS 35 1HD LYS 35 17.248 5.242 -2.049 267 HE2 LYS 35 2HE LYS 35 14.875 3.509 -1.331 268 HE3 LYS 35 1HE LYS 35 14.896 4.643 -2.670 269 HZ1 LYS 35 1HZ LYS 35 15.371 2.422 -3.434 270 HZ2 LYS 35 2HZ LYS 35 16.718 2.286 -2.397 271 HZ3 LYS 35 3HZ LYS 35 16.733 3.379 -3.642 272 H LEU 36 H LEU 36 17.428 0.510 2.886 273 HA LEU 36 HA LEU 36 15.403 0.761 4.901 274 HB2 LEU 36 2HB LEU 36 14.387 0.134 2.572 275 HB3 LEU 36 1HB LEU 36 15.188 -1.403 2.796 276 HG LEU 36 HG LEU 36 13.095 -0.325 4.691 277 HD11 LEU 36 1HD1 LEU 36 11.538 -1.825 3.531 278 HD12 LEU 36 2HD1 LEU 36 12.793 -2.184 2.341 279 HD13 LEU 36 3HD1 LEU 36 12.143 -0.551 2.474 280 HD21 LEU 36 1HD2 LEU 36 12.899 -2.642 5.380 281 HD22 LEU 36 2HD2 LEU 36 14.566 -2.088 5.579 282 HD23 LEU 36 3HD2 LEU 36 14.130 -3.111 4.210 283 H GLU 37 H GLU 37 15.896 -0.790 6.521 284 HA GLU 37 HA GLU 37 18.621 -1.659 6.401 285 HB2 GLU 37 2HB GLU 37 18.328 -2.244 8.763 286 HB3 GLU 37 1HB GLU 37 17.868 -0.584 8.403 287 HG2 GLU 37 2HG GLU 37 15.829 -0.919 9.179 288 HG3 GLU 37 1HG GLU 37 15.626 -2.361 8.181 289 H GLN 38 H GLN 38 19.245 -3.745 7.393 290 HA GLN 38 HA GLN 38 18.567 -5.756 5.588 291 HB2 GLN 38 2HB GLN 38 20.759 -5.658 6.522 292 HB3 GLN 38 1HB GLN 38 20.131 -5.886 8.147 293 HG2 GLN 38 2HG GLN 38 21.164 -7.925 7.350 294 HG3 GLN 38 1HG GLN 38 19.433 -8.158 7.558 295 HE21 GLN 38 1HE2 GLN 38 18.147 -8.477 5.724 296 HE22 GLN 38 2HE2 GLN 38 18.827 -8.890 4.197 297 H ALA 39 H ALA 39 17.658 -5.588 9.076 298 HA ALA 39 HA ALA 39 16.541 -8.220 8.975 299 HB1 ALA 39 1HB ALA 39 17.420 -7.300 11.061 300 HB2 ALA 39 2HB ALA 39 15.721 -7.754 11.228 301 HB3 ALA 39 3HB ALA 39 16.164 -6.062 11.046 302 H ASP 40 H ASP 40 15.317 -4.999 8.831 303 HA ASP 40 HA ASP 40 12.550 -5.594 8.830 304 HB2 ASP 40 2HB ASP 40 13.859 -3.346 9.068 305 HB3 ASP 40 1HB ASP 40 13.763 -3.292 7.317 306 H LYS 41 H LYS 41 14.867 -5.128 6.219 307 HA LYS 41 HA LYS 41 13.324 -5.612 3.951 308 HB2 LYS 41 2HB LYS 41 15.545 -4.699 3.877 309 HB3 LYS 41 1HB LYS 41 16.218 -6.153 4.586 310 HG2 LYS 41 2HG LYS 41 15.585 -7.382 2.552 311 HG3 LYS 41 1HG LYS 41 15.033 -5.881 1.825 312 HD2 LYS 41 2HD LYS 41 17.846 -6.464 2.783 313 HD3 LYS 41 1HD LYS 41 17.319 -6.412 1.104 314 HE2 LYS 41 2HE LYS 41 16.794 -4.029 1.329 315 HE3 LYS 41 1HE LYS 41 17.241 -4.078 3.027 316 HZ1 LYS 41 1HZ LYS 41 19.009 -3.186 1.632 317 HZ2 LYS 41 2HZ LYS 41 19.113 -4.660 0.802 318 HZ3 LYS 41 3HZ LYS 41 19.482 -4.580 2.429 319 H ASP 42 H ASP 42 15.193 -7.794 5.973 320 HA ASP 42 HA ASP 42 14.704 -10.160 4.495 321 HB2 ASP 42 2HB ASP 42 16.592 -9.963 6.020 322 HB3 ASP 42 1HB ASP 42 15.498 -9.773 7.381 323 H THR 43 H THR 43 13.055 -8.685 7.220 324 HA THR 43 HA THR 43 11.345 -10.802 7.808 325 HB THR 43 HB THR 43 10.788 -7.827 8.111 326 HG1 THR 43 1HG THR 43 12.602 -8.323 9.282 327 HG21 THR 43 1HG2 THR 43 8.751 -9.211 8.340 328 HG22 THR 43 2HG2 THR 43 9.225 -8.508 9.884 329 HG23 THR 43 3HG2 THR 43 9.569 -10.204 9.544 330 H VAL 44 H VAL 44 10.878 -8.118 5.493 331 HA VAL 44 HA VAL 44 8.310 -9.053 4.719 332 HB VAL 44 HB VAL 44 8.887 -7.642 2.537 333 HG11 VAL 44 1HG1 VAL 44 7.093 -7.148 4.097 334 HG12 VAL 44 2HG1 VAL 44 7.989 -5.663 3.751 335 HG13 VAL 44 3HG1 VAL 44 8.263 -6.538 5.261 336 HG21 VAL 44 1HG2 VAL 44 10.721 -6.503 4.638 337 HG22 VAL 44 2HG2 VAL 44 10.284 -5.708 3.134 338 HG23 VAL 44 3HG2 VAL 44 11.198 -7.218 3.099 339 H THR 45 H THR 45 11.472 -9.415 3.104 340 HA THR 45 HA THR 45 10.323 -10.759 0.957 341 HB THR 45 HB THR 45 12.574 -11.464 0.420 342 HG1 THR 45 1HG THR 45 13.685 -11.618 2.325 343 HG21 THR 45 1HG2 THR 45 13.458 -9.200 -0.036 344 HG22 THR 45 2HG2 THR 45 12.321 -8.549 1.144 345 HG23 THR 45 3HG2 THR 45 11.718 -9.311 -0.324 346 H LYS 46 H LYS 46 11.668 -11.906 3.969 347 HA LYS 46 HA LYS 46 11.585 -14.657 3.355 348 HB2 LYS 46 2HB LYS 46 12.887 -13.711 5.201 349 HB3 LYS 46 1HB LYS 46 11.399 -13.238 5.993 350 HG2 LYS 46 2HG LYS 46 10.873 -15.474 6.543 351 HG3 LYS 46 1HG LYS 46 12.114 -16.107 5.451 352 HD2 LYS 46 2HD LYS 46 12.886 -16.194 7.772 353 HD3 LYS 46 1HD LYS 46 13.857 -15.082 6.814 354 HE2 LYS 46 2HE LYS 46 12.365 -13.222 7.730 355 HE3 LYS 46 1HE LYS 46 11.745 -14.423 8.863 356 HZ1 LYS 46 1HZ LYS 46 13.503 -13.237 9.922 357 HZ2 LYS 46 2HZ LYS 46 14.455 -13.358 8.574 358 HZ3 LYS 46 3HZ LYS 46 14.178 -14.751 9.510 359 H LYS 47 H LYS 47 9.181 -12.457 4.738 360 HA LYS 47 HA LYS 47 7.227 -14.474 5.135 361 HB2 LYS 47 2HB LYS 47 6.914 -12.386 6.329 362 HB3 LYS 47 1HB LYS 47 7.015 -11.459 4.849 363 HG2 LYS 47 2HG LYS 47 4.727 -11.473 5.666 364 HG3 LYS 47 1HG LYS 47 4.825 -12.343 4.144 365 HD2 LYS 47 2HD LYS 47 3.360 -13.562 5.608 366 HD3 LYS 47 1HD LYS 47 4.853 -14.481 5.461 367 HE2 LYS 47 2HE LYS 47 5.594 -13.589 7.632 368 HE3 LYS 47 1HE LYS 47 4.091 -12.681 7.763 369 HZ1 LYS 47 1HZ LYS 47 4.325 -15.648 7.645 370 HZ2 LYS 47 2HZ LYS 47 2.874 -14.834 7.727 371 HZ3 LYS 47 3HZ LYS 47 3.967 -14.753 9.020 372 H ALA 48 H ALA 48 8.125 -12.512 2.421 373 HA ALA 48 HA ALA 48 5.953 -13.243 0.733 374 HB1 ALA 48 1HB ALA 48 7.400 -11.308 0.256 375 HB2 ALA 48 2HB ALA 48 7.400 -12.431 -1.101 376 HB3 ALA 48 3HB ALA 48 8.768 -12.378 0.013 377 H GLU 49 H GLU 49 9.135 -14.656 1.257 378 HA GLU 49 HA GLU 49 8.698 -16.645 -0.727 379 HB2 GLU 49 2HB GLU 49 10.725 -16.616 1.505 380 HB3 GLU 49 1HB GLU 49 10.710 -17.718 0.132 381 HG2 GLU 49 2HG GLU 49 10.905 -15.740 -1.364 382 HG3 GLU 49 1HG GLU 49 11.143 -14.751 0.076 383 H GLU 50 H GLU 50 8.146 -16.458 2.740 384 HA GLU 50 HA GLU 50 7.511 -19.198 2.972 385 HB2 GLU 50 2HB GLU 50 6.870 -18.717 5.278 386 HB3 GLU 50 1HB GLU 50 8.134 -17.570 4.885 387 HG2 GLU 50 2HG GLU 50 6.769 -16.226 5.979 388 HG3 GLU 50 1HG GLU 50 6.144 -16.011 4.338 389 H THR 51 H THR 51 5.795 -16.352 2.021 390 HA THR 51 HA THR 51 3.268 -17.426 1.951 391 HB THR 51 HB THR 51 4.449 -15.242 0.240 392 HG1 THR 51 1HG THR 51 4.363 -14.810 2.480 393 HG21 THR 51 1HG2 THR 51 2.128 -14.533 -0.205 394 HG22 THR 51 2HG2 THR 51 1.534 -15.955 0.656 395 HG23 THR 51 3HG2 THR 51 2.438 -16.146 -0.846 396 H ILE 52 H ILE 52 5.814 -17.310 -0.488 397 HA ILE 52 HA ILE 52 4.481 -18.537 -2.640 398 HB ILE 52 HB ILE 52 7.437 -18.701 -1.950 399 HG12 ILE 52 2HG1 ILE 52 6.703 -16.390 -2.234 400 HG13 ILE 52 1HG1 ILE 52 7.727 -16.873 -3.582 401 HG21 ILE 52 1HG2 ILE 52 6.082 -19.263 -4.587 402 HG22 ILE 52 2HG2 ILE 52 6.840 -20.453 -3.530 403 HG23 ILE 52 3HG2 ILE 52 7.825 -19.221 -4.317 404 HD11 ILE 52 1HD1 ILE 52 5.701 -17.203 -4.949 405 HD12 ILE 52 2HD1 ILE 52 5.888 -15.553 -4.364 406 HD13 ILE 52 3HD1 ILE 52 4.721 -16.628 -3.592 407 H SER 53 H SER 53 6.488 -19.983 -0.095 408 HA SER 53 HA SER 53 6.183 -22.632 -0.907 409 HB2 SER 53 2HB SER 53 6.690 -21.510 1.855 410 HB3 SER 53 1HB SER 53 6.970 -23.183 1.366 411 HG SER 53 HG SER 53 8.873 -21.924 1.272 412 H TRP 54 H TRP 54 4.227 -20.599 1.214 413 HA TRP 54 HA TRP 54 2.487 -22.601 2.143 414 HB2 TRP 54 2HB TRP 54 2.699 -20.270 3.108 415 HB3 TRP 54 1HB TRP 54 1.791 -19.681 1.726 416 HD1 TRP 54 HD TRP 54 1.387 -21.546 4.988 417 HE1 TRP 54 1HE TRP 54 -1.085 -21.832 5.539 418 HE3 TRP 54 3HE TRP 54 -0.584 -19.893 0.587 419 HZ2 TRP 54 2HZ TRP 54 -3.595 -21.404 4.259 420 HZ3 TRP 54 3HZ TRP 54 -3.034 -19.857 0.323 421 HH2 TRP 54 HH TRP 54 -4.503 -20.600 2.118 422 H LEU 55 H LEU 55 2.298 -20.385 -0.594 423 HA LEU 55 HA LEU 55 -0.261 -21.130 -1.499 424 HB2 LEU 55 2HB LEU 55 2.075 -20.062 -3.069 425 HB3 LEU 55 1HB LEU 55 0.426 -20.131 -3.643 426 HG LEU 55 HG LEU 55 1.343 -18.476 -1.300 427 HD11 LEU 55 1HD1 LEU 55 0.746 -17.687 -4.143 428 HD12 LEU 55 2HD1 LEU 55 2.342 -17.730 -3.393 429 HD13 LEU 55 3HD1 LEU 55 1.134 -16.585 -2.824 430 HD21 LEU 55 1HD2 LEU 55 -0.836 -17.405 -1.525 431 HD22 LEU 55 2HD2 LEU 55 -1.043 -19.135 -1.245 432 HD23 LEU 55 3HD2 LEU 55 -1.235 -18.474 -2.863 433 H ASP 56 H ASP 56 2.909 -22.423 -2.176 434 HA ASP 56 HA ASP 56 2.065 -24.113 -4.295 435 HB2 ASP 56 2HB ASP 56 4.386 -23.427 -4.120 436 HB3 ASP 56 1HB ASP 56 4.522 -24.182 -2.537 437 H SER 57 H SER 57 2.338 -24.421 -0.820 438 HA SER 57 HA SER 57 1.964 -27.245 -0.974 439 HB2 SER 57 2HB SER 57 2.072 -25.447 1.448 440 HB3 SER 57 1HB SER 57 2.196 -27.204 1.454 441 HG SER 57 HG SER 57 4.006 -25.322 0.356 442 H ASN 58 H ASN 58 0.087 -24.379 -0.098 443 HA ASN 58 HA ASN 58 -2.173 -26.116 0.562 444 HB2 ASN 58 2HB ASN 58 -1.343 -23.468 1.740 445 HB3 ASN 58 1HB ASN 58 -2.891 -24.249 2.067 446 HD21 ASN 58 1HD2 ASN 58 -0.520 -23.586 3.766 447 HD22 ASN 58 2HD2 ASN 58 -0.130 -25.056 4.557 448 H THR 59 H THR 59 -1.562 -25.147 -2.062 449 HA THR 59 HA THR 59 -3.314 -23.058 -2.736 450 HB THR 59 HB THR 59 -1.659 -23.770 -4.373 451 HG1 THR 59 1HG THR 59 -4.317 -24.236 -5.235 452 HG21 THR 59 1HG2 THR 59 -1.821 -25.930 -5.564 453 HG22 THR 59 2HG2 THR 59 -3.136 -26.401 -4.487 454 HG23 THR 59 3HG2 THR 59 -1.519 -26.137 -3.839 455 H THR 60 H THR 60 -3.840 -26.326 -1.853 456 HA THR 60 HA THR 60 -6.466 -26.644 -2.829 457 HB THR 60 HB THR 60 -6.189 -28.583 -1.046 458 HG1 THR 60 1HG THR 60 -4.350 -28.106 -0.036 459 HG21 THR 60 1HG2 THR 60 -4.583 -28.408 -3.612 460 HG22 THR 60 2HG2 THR 60 -6.266 -28.928 -3.482 461 HG23 THR 60 3HG2 THR 60 -4.984 -29.898 -2.763 462 H ALA 61 H ALA 61 -5.639 -24.387 -0.759 463 HA ALA 61 HA ALA 61 -7.564 -24.987 1.354 464 HB1 ALA 61 1HB ALA 61 -6.670 -22.981 2.442 465 HB2 ALA 61 2HB ALA 61 -5.651 -22.670 1.041 466 HB3 ALA 61 3HB ALA 61 -5.372 -24.101 2.030 467 H SER 62 H SER 62 -8.996 -23.003 1.978 468 HA SER 62 HA SER 62 -10.522 -22.372 -0.337 469 HB2 SER 62 2HB SER 62 -11.962 -21.315 1.469 470 HB3 SER 62 1HB SER 62 -11.690 -23.054 1.599 471 HG SER 62 HG SER 62 -11.349 -22.130 3.571 472 H LYS 63 H LYS 63 -11.485 -20.017 -0.305 473 HA LYS 63 HA LYS 63 -9.416 -18.321 -1.136 474 HB2 LYS 63 2HB LYS 63 -11.468 -17.956 -2.204 475 HB3 LYS 63 1HB LYS 63 -12.357 -17.879 -0.693 476 HG2 LYS 63 2HG LYS 63 -11.403 -15.735 -0.180 477 HG3 LYS 63 1HG LYS 63 -10.360 -15.823 -1.592 478 HD2 LYS 63 2HD LYS 63 -12.197 -15.635 -3.057 479 HD3 LYS 63 1HD LYS 63 -13.362 -15.863 -1.749 480 HE2 LYS 63 2HE LYS 63 -13.058 -13.472 -2.530 481 HE3 LYS 63 1HE LYS 63 -12.854 -13.741 -0.805 482 HZ1 LYS 63 1HZ LYS 63 -10.480 -13.659 -1.063 483 HZ2 LYS 63 2HZ LYS 63 -11.128 -12.288 -1.779 484 HZ3 LYS 63 3HZ LYS 63 -10.597 -13.555 -2.743 485 H GLU 64 H GLU 64 -11.299 -18.342 1.838 486 HA GLU 64 HA GLU 64 -10.210 -15.932 2.751 487 HB2 GLU 64 2HB GLU 64 -11.553 -18.112 4.336 488 HB3 GLU 64 1HB GLU 64 -11.175 -16.506 4.961 489 HG2 GLU 64 2HG GLU 64 -12.547 -15.584 3.057 490 HG3 GLU 64 1HG GLU 64 -13.076 -17.233 2.753 491 H GLU 65 H GLU 65 -8.991 -19.159 2.928 492 HA GLU 65 HA GLU 65 -7.025 -18.716 4.916 493 HB2 GLU 65 2HB GLU 65 -7.015 -20.614 2.563 494 HB3 GLU 65 1HB GLU 65 -5.869 -20.660 3.894 495 HG2 GLU 65 2HG GLU 65 -8.835 -21.083 4.116 496 HG3 GLU 65 1HG GLU 65 -7.617 -22.352 4.123 497 H PHE 66 H PHE 66 -7.032 -18.405 1.395 498 HA PHE 66 HA PHE 66 -4.370 -17.507 1.089 499 HB2 PHE 66 2HB PHE 66 -6.816 -16.964 -0.626 500 HB3 PHE 66 1HB PHE 66 -5.202 -16.443 -1.061 501 HD1 PHE 66 1HD PHE 66 -7.573 -19.198 -1.035 502 HD2 PHE 66 2HD PHE 66 -3.470 -18.172 -1.623 503 HE1 PHE 66 1HE PHE 66 -7.206 -21.304 -2.201 504 HE2 PHE 66 2HE PHE 66 -3.114 -20.297 -2.773 505 HZ PHE 66 HZ PHE 66 -4.988 -21.869 -3.072 506 H ASP 67 H ASP 67 -7.424 -15.768 1.478 507 HA ASP 67 HA ASP 67 -6.403 -13.164 1.367 508 HB2 ASP 67 2HB ASP 67 -8.863 -14.257 2.675 509 HB3 ASP 67 1HB ASP 67 -8.423 -12.569 2.873 510 H ASP 68 H ASP 68 -6.759 -15.298 4.144 511 HA ASP 68 HA ASP 68 -5.949 -13.420 6.075 512 HB2 ASP 68 2HB ASP 68 -7.020 -15.502 6.746 513 HB3 ASP 68 1HB ASP 68 -5.673 -16.428 6.095 514 H LYS 69 H LYS 69 -4.112 -15.574 4.001 515 HA LYS 69 HA LYS 69 -1.580 -15.049 5.135 516 HB2 LYS 69 2HB LYS 69 -2.356 -15.905 2.355 517 HB3 LYS 69 1HB LYS 69 -0.685 -15.745 2.863 518 HG2 LYS 69 2HG LYS 69 -2.732 -17.599 4.060 519 HG3 LYS 69 1HG LYS 69 -1.442 -18.054 2.949 520 HD2 LYS 69 2HD LYS 69 -1.043 -16.884 5.716 521 HD3 LYS 69 1HD LYS 69 -0.883 -18.579 5.284 522 HE2 LYS 69 2HE LYS 69 0.975 -18.060 3.801 523 HE3 LYS 69 1HE LYS 69 0.786 -16.341 4.139 524 HZ1 LYS 69 1HZ LYS 69 1.452 -18.385 6.185 525 HZ2 LYS 69 2HZ LYS 69 1.437 -16.694 6.403 526 HZ3 LYS 69 3HZ LYS 69 2.566 -17.413 5.390 527 H LEU 70 H LEU 70 -3.468 -13.432 2.693 528 HA LEU 70 HA LEU 70 -1.440 -11.595 1.973 529 HB2 LEU 70 2HB LEU 70 -3.419 -12.014 0.553 530 HB3 LEU 70 1HB LEU 70 -4.435 -11.255 1.760 531 HG LEU 70 HG LEU 70 -3.296 -9.101 1.357 532 HD11 LEU 70 1HD1 LEU 70 -1.110 -9.917 0.673 533 HD12 LEU 70 2HD1 LEU 70 -1.788 -8.858 -0.562 534 HD13 LEU 70 3HD1 LEU 70 -1.809 -10.606 -0.794 535 HD21 LEU 70 1HD2 LEU 70 -4.196 -8.690 -0.882 536 HD22 LEU 70 2HD2 LEU 70 -5.313 -9.631 0.102 537 HD23 LEU 70 3HD2 LEU 70 -4.346 -10.427 -1.140 538 H LYS 71 H LYS 71 -4.006 -11.580 4.357 539 HA LYS 71 HA LYS 71 -3.607 -8.900 5.135 540 HB2 LYS 71 2HB LYS 71 -4.903 -11.143 6.667 541 HB3 LYS 71 1HB LYS 71 -4.897 -9.466 7.188 542 HG2 LYS 71 2HG LYS 71 -6.213 -10.609 4.729 543 HG3 LYS 71 1HG LYS 71 -7.010 -9.950 6.153 544 HD2 LYS 71 2HD LYS 71 -5.370 -8.425 4.108 545 HD3 LYS 71 1HD LYS 71 -7.106 -8.337 4.344 546 HE2 LYS 71 2HE LYS 71 -5.000 -7.441 6.325 547 HE3 LYS 71 1HE LYS 71 -5.971 -6.402 5.289 548 HZ1 LYS 71 1HZ LYS 71 -7.943 -7.126 6.460 549 HZ2 LYS 71 2HZ LYS 71 -6.809 -6.508 7.555 550 HZ3 LYS 71 3HZ LYS 71 -7.037 -8.164 7.424 551 H GLU 72 H GLU 72 -2.318 -11.913 6.534 552 HA GLU 72 HA GLU 72 -0.905 -10.540 8.549 553 HB2 GLU 72 2HB GLU 72 0.541 -12.582 8.697 554 HB3 GLU 72 1HB GLU 72 -1.175 -12.912 8.846 555 HG2 GLU 72 2HG GLU 72 -1.257 -13.743 6.618 556 HG3 GLU 72 1HG GLU 72 0.405 -13.247 6.314 557 H LEU 73 H LEU 73 -0.090 -11.325 5.209 558 HA LEU 73 HA LEU 73 2.550 -10.424 5.368 559 HB2 LEU 73 2HB LEU 73 1.696 -11.915 3.594 560 HB3 LEU 73 1HB LEU 73 0.667 -10.652 2.999 561 HG LEU 73 HG LEU 73 3.662 -10.308 2.983 562 HD11 LEU 73 1HD1 LEU 73 3.622 -11.209 0.693 563 HD12 LEU 73 2HD1 LEU 73 1.926 -11.673 0.928 564 HD13 LEU 73 3HD1 LEU 73 3.192 -12.420 1.904 565 HD21 LEU 73 1HD2 LEU 73 3.140 -8.842 1.085 566 HD22 LEU 73 2HD2 LEU 73 2.256 -8.356 2.539 567 HD23 LEU 73 3HD2 LEU 73 1.426 -9.241 1.261 568 H GLN 74 H GLN 74 -0.509 -8.818 4.649 569 HA GLN 74 HA GLN 74 0.465 -6.283 3.945 570 HB2 GLN 74 2HB GLN 74 -2.089 -7.011 5.381 571 HB3 GLN 74 1HB GLN 74 -1.718 -5.390 4.835 572 HG2 GLN 74 2HG GLN 74 -2.025 -7.815 3.081 573 HG3 GLN 74 1HG GLN 74 -3.229 -6.552 3.316 574 HE21 GLN 74 1HE2 GLN 74 -0.262 -7.422 1.789 575 HE22 GLN 74 2HE2 GLN 74 -0.145 -6.022 0.781 576 H ASP 75 H ASP 75 -0.408 -7.577 7.115 577 HA ASP 75 HA ASP 75 0.056 -5.216 8.555 578 HB2 ASP 75 2HB ASP 75 -1.198 -7.166 9.457 579 HB3 ASP 75 1HB ASP 75 0.320 -8.046 9.597 580 H ILE 76 H ILE 76 2.209 -7.818 7.678 581 HA ILE 76 HA ILE 76 4.483 -6.826 9.100 582 HB ILE 76 HB ILE 76 4.231 -8.799 6.814 583 HG12 ILE 76 2HG1 ILE 76 3.317 -9.549 8.982 584 HG13 ILE 76 1HG1 ILE 76 4.698 -10.516 8.481 585 HG21 ILE 76 1HG2 ILE 76 6.737 -8.117 8.336 586 HG22 ILE 76 2HG2 ILE 76 6.423 -7.800 6.630 587 HG23 ILE 76 3HG2 ILE 76 6.564 -9.462 7.207 588 HD11 ILE 76 1HD1 ILE 76 4.774 -10.061 10.859 589 HD12 ILE 76 2HD1 ILE 76 4.716 -8.328 10.559 590 HD13 ILE 76 3HD1 ILE 76 6.119 -9.264 10.040 591 H ALA 77 H ALA 77 3.500 -6.712 5.697 592 HA ALA 77 HA ALA 77 5.845 -5.381 4.850 593 HB1 ALA 77 1HB ALA 77 4.573 -6.882 3.400 594 HB2 ALA 77 2HB ALA 77 4.828 -5.295 2.672 595 HB3 ALA 77 3HB ALA 77 3.259 -5.710 3.360 596 H ASN 78 H ASN 78 2.653 -4.212 5.734 597 HA ASN 78 HA ASN 78 2.593 -1.831 4.398 598 HB2 ASN 78 2HB ASN 78 0.665 -2.681 5.634 599 HB3 ASN 78 1HB ASN 78 1.458 -2.333 7.161 600 HD21 ASN 78 1HD2 ASN 78 -0.206 -1.005 7.814 601 HD22 ASN 78 2HD2 ASN 78 -0.450 0.568 7.157 602 HA PRO 79 HA PRO 79 4.861 0.718 7.806 603 HB2 PRO 79 2HB PRO 79 6.496 -0.652 9.529 604 HB3 PRO 79 1HB PRO 79 4.834 -0.188 9.916 605 HG2 PRO 79 2HG PRO 79 5.890 -2.816 8.957 606 HG3 PRO 79 1HG PRO 79 4.691 -2.487 10.224 607 HD2 PRO 79 2HD PRO 79 3.974 -3.283 7.755 608 HD3 PRO 79 1HD PRO 79 2.992 -2.139 8.694 609 H ILE 80 H ILE 80 6.301 -2.210 6.581 610 HA ILE 80 HA ILE 80 8.913 -1.123 6.345 611 HB ILE 80 HB ILE 80 7.709 -3.667 5.206 612 HG12 ILE 80 2HG1 ILE 80 9.436 -3.200 7.654 613 HG13 ILE 80 1HG1 ILE 80 7.695 -3.414 7.687 614 HG21 ILE 80 1HG2 ILE 80 9.712 -2.997 3.951 615 HG22 ILE 80 2HG2 ILE 80 10.048 -4.412 4.955 616 HG23 ILE 80 3HG2 ILE 80 10.603 -2.818 5.464 617 HD11 ILE 80 1HD1 ILE 80 8.938 -5.410 8.331 618 HD12 ILE 80 2HD1 ILE 80 9.664 -5.476 6.717 619 HD13 ILE 80 3HD1 ILE 80 7.913 -5.649 6.930 620 H MET 81 H MET 81 6.214 -1.659 4.141 621 HA MET 81 HA MET 81 7.510 -0.735 1.801 622 HB2 MET 81 2HB MET 81 4.560 -0.660 2.482 623 HB3 MET 81 1HB MET 81 5.223 -0.348 0.889 624 HG2 MET 81 2HG MET 81 5.317 -2.935 2.414 625 HG3 MET 81 1HG MET 81 4.339 -2.578 0.997 626 HE1 MET 81 1HE MET 81 5.298 -2.293 -1.431 627 HE2 MET 81 2HE MET 81 7.001 -2.452 -1.841 628 HE3 MET 81 3HE MET 81 6.447 -1.027 -0.948 629 H SER 82 H SER 82 5.953 0.802 4.466 630 HA SER 82 HA SER 82 5.749 3.376 3.373 631 HB2 SER 82 2HB SER 82 4.567 2.544 5.441 632 HB3 SER 82 1HB SER 82 6.104 2.633 6.288 633 HG SER 82 HG SER 82 6.111 4.930 5.693 634 H LYS 83 H LYS 83 8.423 1.538 4.734 635 HA LYS 83 HA LYS 83 10.162 3.715 5.243 636 HB2 LYS 83 2HB LYS 83 11.071 1.010 4.230 637 HB3 LYS 83 1HB LYS 83 11.985 2.143 5.198 638 HG2 LYS 83 2HG LYS 83 9.600 0.597 6.093 639 HG3 LYS 83 1HG LYS 83 11.275 0.143 6.450 640 HD2 LYS 83 2HD LYS 83 11.416 2.402 7.626 641 HD3 LYS 83 1HD LYS 83 9.657 2.468 7.356 642 HE2 LYS 83 2HE LYS 83 10.213 1.629 9.610 643 HE3 LYS 83 1HE LYS 83 9.304 0.483 8.636 644 HZ1 LYS 83 1HZ LYS 83 11.303 -0.780 8.235 645 HZ2 LYS 83 2HZ LYS 83 11.197 -0.506 9.882 646 HZ3 LYS 83 3HZ LYS 83 12.262 0.392 8.954 647 H LEU 84 H LEU 84 9.697 1.501 2.539 648 HA LEU 84 HA LEU 84 11.565 2.654 0.790 649 HB2 LEU 84 2HB LEU 84 10.690 0.363 0.552 650 HB3 LEU 84 1HB LEU 84 9.109 0.991 0.177 651 HG LEU 84 HG LEU 84 10.450 0.040 -1.760 652 HD11 LEU 84 1HD1 LEU 84 9.533 2.890 -2.062 653 HD12 LEU 84 2HD1 LEU 84 8.532 1.447 -2.208 654 HD13 LEU 84 3HD1 LEU 84 9.816 1.751 -3.379 655 HD21 LEU 84 1HD2 LEU 84 12.627 0.957 -1.161 656 HD22 LEU 84 2HD2 LEU 84 12.023 2.590 -1.442 657 HD23 LEU 84 3HD2 LEU 84 12.150 1.456 -2.783 658 H TYR 85 H TYR 85 8.053 3.093 0.987 659 HA TYR 85 HA TYR 85 8.005 4.889 -1.160 660 HB2 TYR 85 2HB TYR 85 5.920 4.187 0.868 661 HB3 TYR 85 1HB TYR 85 5.654 5.459 -0.323 662 HD1 TYR 85 1HD TYR 85 6.154 4.773 -2.808 663 HD2 TYR 85 2HD TYR 85 5.313 2.008 0.308 664 HE1 TYR 85 1HE TYR 85 5.483 3.109 -4.480 665 HE2 TYR 85 2HE TYR 85 4.642 0.330 -1.359 666 HH TYR 85 HH TYR 85 3.799 0.322 -3.694 667 H GLN 86 H GLN 86 8.645 5.495 2.180 668 HA GLN 86 HA GLN 86 8.204 8.312 1.667 669 HB2 GLN 86 2HB GLN 86 9.161 6.934 4.171 670 HB3 GLN 86 1HB GLN 86 8.877 8.664 4.020 671 HG2 GLN 86 2HG GLN 86 6.537 8.262 3.550 672 HG3 GLN 86 1HG GLN 86 6.802 6.522 3.673 673 HE21 GLN 86 1HE2 GLN 86 6.525 9.493 5.387 674 HE22 GLN 86 2HE2 GLN 86 6.380 8.790 6.962 675 H ALA 87 H ALA 87 10.759 6.063 1.554 676 HA ALA 87 HA ALA 87 12.812 8.067 1.775 677 HB1 ALA 87 1HB ALA 87 13.035 5.191 0.888 678 HB2 ALA 87 2HB ALA 87 13.238 5.769 2.543 679 HB3 ALA 87 3HB ALA 87 14.379 6.261 1.290 680 H GLY 88 H GLY 88 11.230 6.254 -0.821 681 HA2 GLY 88 2HA GLY 88 12.094 8.243 -2.703 682 HA3 GLY 88 1HA GLY 88 12.808 6.650 -2.936 683 H GLY 89 H GLY 89 9.654 8.028 -2.181 684 HA2 GLY 89 2HA GLY 89 8.565 6.524 -4.410 685 HA3 GLY 89 1HA GLY 89 7.978 6.179 -2.782 686 H ALA 90 H ALA 90 7.267 8.085 -1.540 687 HA ALA 90 HA ALA 90 5.689 9.579 -1.146 688 HB1 ALA 90 1HB ALA 90 7.354 11.154 -2.100 689 HB2 ALA 90 2HB ALA 90 5.693 11.682 -2.367 690 HB3 ALA 90 3HB ALA 90 6.604 10.945 -3.682 691 HA PRO 91 HA PRO 91 2.582 7.584 -3.844 692 HB2 PRO 91 2HB PRO 91 1.114 7.371 -1.295 693 HB3 PRO 91 1HB PRO 91 1.533 6.097 -2.439 694 HG2 PRO 91 2HG PRO 91 2.743 6.268 -0.049 695 HG3 PRO 91 1HG PRO 91 3.621 5.746 -1.496 696 HD2 PRO 91 2HD PRO 91 3.608 8.433 -0.165 697 HD3 PRO 91 1HD PRO 91 4.980 7.506 -0.810 698 H GLY 92 H GLY 92 1.849 9.590 -1.033 699 HA2 GLY 92 2HA GLY 92 -0.203 10.978 -2.555 700 HA3 GLY 92 1HA GLY 92 0.091 11.119 -0.821 701 H GLY 93 H GLY 93 -0.044 13.069 -3.138 702 HA2 GLY 93 2HA GLY 93 2.644 14.173 -2.892 703 HA3 GLY 93 1HA GLY 93 1.465 14.690 -4.077 704 H ALA 94 H ALA 94 -0.301 14.420 -1.451 705 HA ALA 94 HA ALA 94 -1.303 15.789 -0.057 706 HB1 ALA 94 1HB ALA 94 0.821 15.565 1.174 707 HB2 ALA 94 2HB ALA 94 0.028 17.111 1.468 708 HB3 ALA 94 3HB ALA 94 1.415 17.026 0.383 709 H ALA 95 H ALA 95 -2.483 16.615 -1.788 710 HA ALA 95 HA ALA 95 -3.670 18.282 -2.728 711 HB1 ALA 95 1HB ALA 95 -3.549 20.530 -1.804 712 HB2 ALA 95 2HB ALA 95 -2.005 20.138 -1.047 713 HB3 ALA 95 3HB ALA 95 -3.469 19.340 -0.497 714 H GLY 96 H GLY 96 -1.156 17.392 -3.925 715 HA2 GLY 96 2HA GLY 96 -0.498 19.837 -5.459 716 HA3 GLY 96 1HA GLY 96 0.652 18.539 -5.173 717 H GLY 97 H GLY 97 -2.548 17.573 -5.797 718 HA2 GLY 97 2HA GLY 97 -1.781 16.053 -8.062 719 HA3 GLY 97 1HA GLY 97 -3.412 16.254 -7.446 720 H ALA 98 H ALA 98 -3.352 19.152 -7.747 721 HA ALA 98 HA ALA 98 -3.822 19.189 -10.616 722 HB1 ALA 98 1HB ALA 98 -5.011 21.290 -10.239 723 HB2 ALA 98 2HB ALA 98 -4.495 21.299 -8.558 724 HB3 ALA 98 3HB ALA 98 -5.605 20.051 -9.131 725 HA PRO 99 HA PRO 99 0.243 21.092 -10.904 726 HB2 PRO 99 2HB PRO 99 0.224 21.326 -13.635 727 HB3 PRO 99 1HB PRO 99 0.686 19.854 -12.780 728 HG2 PRO 99 2HG PRO 99 -1.908 20.558 -14.078 729 HG3 PRO 99 1HG PRO 99 -1.048 19.011 -14.054 730 HD2 PRO 99 2HD PRO 99 -3.171 19.500 -12.483 731 HD3 PRO 99 1HD PRO 99 -1.838 18.452 -11.966 732 H GLY 100 H GLY 100 0.820 23.154 -10.870 733 HA2 GLY 100 2HA GLY 100 -1.151 25.137 -11.768 734 HA3 GLY 100 1HA GLY 100 -0.017 25.377 -10.441 735 H GLY 101 H GLY 101 -0.613 26.307 -13.467 736 HA2 GLY 101 2HA GLY 101 1.903 27.415 -13.877 737 HA3 GLY 101 1HA GLY 101 1.705 25.985 -14.896 Start of MODEL 9 1 H1 SER 1 1HT SER 1 -19.170 -27.693 -12.927 2 H2 SER 1 2HT SER 1 -18.698 -28.923 -11.836 3 H3 SER 1 3HT SER 1 -18.068 -27.350 -11.713 4 HA SER 1 HA SER 1 -20.898 -27.962 -11.360 5 HB2 SER 1 2HB SER 1 -18.752 -27.490 -9.289 6 HB3 SER 1 1HB SER 1 -20.438 -27.930 -8.985 7 HG SER 1 HG SER 1 -18.806 -29.676 -8.935 8 H LYS 2 H LYS 2 -21.860 -26.043 -11.886 9 HA LYS 2 HA LYS 2 -20.512 -23.775 -12.567 10 HB2 LYS 2 2HB LYS 2 -23.347 -24.349 -12.037 11 HB3 LYS 2 1HB LYS 2 -22.894 -22.658 -12.062 12 HG2 LYS 2 2HG LYS 2 -22.079 -24.447 -14.319 13 HG3 LYS 2 1HG LYS 2 -23.726 -23.828 -14.232 14 HD2 LYS 2 2HD LYS 2 -22.404 -22.342 -15.624 15 HD3 LYS 2 1HD LYS 2 -22.818 -21.515 -14.131 16 HE2 LYS 2 2HE LYS 2 -20.568 -22.013 -13.270 17 HE3 LYS 2 1HE LYS 2 -20.144 -22.765 -14.818 18 HZ1 LYS 2 1HZ LYS 2 -19.346 -20.589 -14.857 19 HZ2 LYS 2 2HZ LYS 2 -20.711 -19.974 -14.135 20 HZ3 LYS 2 3HZ LYS 2 -20.780 -20.476 -15.761 21 H GLU 3 H GLU 3 -22.164 -24.254 -9.475 22 HA GLU 3 HA GLU 3 -21.609 -21.604 -8.681 23 HB2 GLU 3 2HB GLU 3 -22.533 -22.152 -6.517 24 HB3 GLU 3 1HB GLU 3 -23.560 -22.807 -7.774 25 HG2 GLU 3 2HG GLU 3 -21.615 -24.352 -6.061 26 HG3 GLU 3 1HG GLU 3 -23.364 -24.312 -5.880 27 H GLU 4 H GLU 4 -20.177 -24.709 -7.931 28 HA GLU 4 HA GLU 4 -18.316 -23.744 -6.044 29 HB2 GLU 4 2HB GLU 4 -19.107 -26.139 -6.384 30 HB3 GLU 4 1HB GLU 4 -18.005 -26.206 -7.750 31 HG2 GLU 4 2HG GLU 4 -16.949 -27.190 -5.836 32 HG3 GLU 4 1HG GLU 4 -16.133 -25.672 -6.224 33 H ASP 5 H ASP 5 -18.128 -24.414 -9.516 34 HA ASP 5 HA ASP 5 -15.409 -23.981 -9.916 35 HB2 ASP 5 2HB ASP 5 -17.788 -23.967 -11.659 36 HB3 ASP 5 1HB ASP 5 -16.374 -23.131 -12.287 37 H GLU 6 H GLU 6 -18.027 -21.686 -9.859 38 HA GLU 6 HA GLU 6 -16.253 -19.597 -10.541 39 HB2 GLU 6 2HB GLU 6 -19.132 -19.538 -9.707 40 HB3 GLU 6 1HB GLU 6 -18.214 -18.060 -10.019 41 HG2 GLU 6 2HG GLU 6 -17.662 -18.891 -12.257 42 HG3 GLU 6 1HG GLU 6 -18.616 -20.330 -11.951 43 H LYS 7 H LYS 7 -17.371 -20.876 -7.515 44 HA LYS 7 HA LYS 7 -16.207 -18.835 -5.903 45 HB2 LYS 7 2HB LYS 7 -16.687 -21.757 -5.293 46 HB3 LYS 7 1HB LYS 7 -16.158 -20.579 -4.105 47 HG2 LYS 7 2HG LYS 7 -18.262 -19.332 -4.481 48 HG3 LYS 7 1HG LYS 7 -18.780 -20.619 -5.575 49 HD2 LYS 7 2HD LYS 7 -18.610 -22.246 -3.782 50 HD3 LYS 7 1HD LYS 7 -18.028 -20.997 -2.685 51 HE2 LYS 7 2HE LYS 7 -20.173 -19.801 -2.981 52 HE3 LYS 7 1HE LYS 7 -20.735 -21.129 -3.992 53 HZ1 LYS 7 1HZ LYS 7 -19.906 -21.375 -1.155 54 HZ2 LYS 7 2HZ LYS 7 -20.495 -22.627 -2.101 55 HZ3 LYS 7 3HZ LYS 7 -21.498 -21.341 -1.694 56 H GLU 8 H GLU 8 -15.004 -21.847 -7.305 57 HA GLU 8 HA GLU 8 -12.417 -21.763 -6.262 58 HB2 GLU 8 2HB GLU 8 -13.289 -22.807 -8.951 59 HB3 GLU 8 1HB GLU 8 -11.735 -23.118 -8.201 60 HG2 GLU 8 2HG GLU 8 -12.917 -24.204 -6.338 61 HG3 GLU 8 1HG GLU 8 -14.429 -24.025 -7.241 62 H SER 9 H SER 9 -13.852 -20.174 -9.011 63 HA SER 9 HA SER 9 -11.470 -19.144 -10.090 64 HB2 SER 9 2HB SER 9 -13.679 -19.252 -11.262 65 HB3 SER 9 1HB SER 9 -14.239 -17.928 -10.243 66 HG SER 9 HG SER 9 -12.854 -16.573 -11.210 67 H GLN 10 H GLN 10 -13.615 -18.013 -7.538 68 HA GLN 10 HA GLN 10 -12.400 -15.490 -7.096 69 HB2 GLN 10 2HB GLN 10 -13.800 -17.302 -5.112 70 HB3 GLN 10 1HB GLN 10 -13.437 -15.603 -4.862 71 HG2 GLN 10 2HG GLN 10 -14.966 -14.979 -6.623 72 HG3 GLN 10 1HG GLN 10 -15.266 -16.676 -6.994 73 HE21 GLN 10 1HE2 GLN 10 -17.461 -16.458 -6.575 74 HE22 GLN 10 2HE2 GLN 10 -18.080 -16.305 -4.968 75 H ARG 11 H ARG 11 -11.858 -18.721 -5.852 76 HA ARG 11 HA ARG 11 -9.733 -18.205 -4.103 77 HB2 ARG 11 2HB ARG 11 -10.764 -20.366 -4.045 78 HB3 ARG 11 1HB ARG 11 -10.461 -20.628 -5.752 79 HG2 ARG 11 2HG ARG 11 -8.052 -20.781 -5.285 80 HG3 ARG 11 1HG ARG 11 -8.387 -20.576 -3.566 81 HD2 ARG 11 2HD ARG 11 -9.560 -22.784 -5.250 82 HD3 ARG 11 1HD ARG 11 -8.080 -22.962 -4.309 83 HE ARG 11 HE ARG 11 -9.415 -22.464 -2.336 84 HH11 ARG 11 1HH1 ARG 11 -11.073 -23.824 -5.171 85 HH12 ARG 11 2HH1 ARG 11 -12.398 -24.412 -4.294 86 HH21 ARG 11 1HH2 ARG 11 -11.216 -23.376 -1.104 87 HH22 ARG 11 2HH2 ARG 11 -12.456 -24.163 -1.926 88 H ILE 12 H ILE 12 -9.716 -19.103 -7.538 89 HA ILE 12 HA ILE 12 -6.974 -19.082 -8.041 90 HB ILE 12 HB ILE 12 -9.128 -18.142 -9.950 91 HG12 ILE 12 2HG1 ILE 12 -9.702 -20.378 -9.176 92 HG13 ILE 12 1HG1 ILE 12 -9.137 -20.469 -10.834 93 HG21 ILE 12 1HG2 ILE 12 -6.365 -19.211 -10.526 94 HG22 ILE 12 2HG2 ILE 12 -6.913 -17.548 -10.733 95 HG23 ILE 12 3HG2 ILE 12 -7.586 -18.830 -11.741 96 HD11 ILE 12 1HD1 ILE 12 -8.302 -22.318 -9.514 97 HD12 ILE 12 2HD1 ILE 12 -7.563 -21.200 -8.374 98 HD13 ILE 12 3HD1 ILE 12 -6.964 -21.290 -10.036 99 H ALA 13 H ALA 13 -9.309 -16.437 -8.384 100 HA ALA 13 HA ALA 13 -7.563 -14.529 -9.291 101 HB1 ALA 13 1HB ALA 13 -10.035 -14.087 -7.616 102 HB2 ALA 13 2HB ALA 13 -9.987 -14.257 -9.367 103 HB3 ALA 13 3HB ALA 13 -9.231 -12.862 -8.596 104 H SER 14 H SER 14 -8.378 -15.448 -6.005 105 HA SER 14 HA SER 14 -6.901 -13.407 -4.720 106 HB2 SER 14 2HB SER 14 -7.768 -16.109 -3.671 107 HB3 SER 14 1HB SER 14 -7.231 -14.749 -2.684 108 HG SER 14 HG SER 14 -9.576 -14.994 -4.250 109 H LYS 15 H LYS 15 -6.135 -16.738 -5.663 110 HA LYS 15 HA LYS 15 -3.572 -16.956 -4.530 111 HB2 LYS 15 2HB LYS 15 -4.575 -18.162 -7.120 112 HB3 LYS 15 1HB LYS 15 -3.152 -18.682 -6.233 113 HG2 LYS 15 2HG LYS 15 -4.518 -19.379 -4.375 114 HG3 LYS 15 1HG LYS 15 -5.959 -18.757 -5.169 115 HD2 LYS 15 2HD LYS 15 -5.832 -21.165 -5.415 116 HD3 LYS 15 1HD LYS 15 -5.635 -20.390 -6.982 117 HE2 LYS 15 2HE LYS 15 -3.252 -20.737 -6.898 118 HE3 LYS 15 1HE LYS 15 -3.370 -21.364 -5.251 119 HZ1 LYS 15 1HZ LYS 15 -4.764 -23.146 -6.123 120 HZ2 LYS 15 2HZ LYS 15 -3.221 -23.183 -6.739 121 HZ3 LYS 15 3HZ LYS 15 -4.496 -22.621 -7.701 122 H ASN 16 H ASN 16 -4.643 -15.823 -7.667 123 HA ASN 16 HA ASN 16 -2.190 -15.208 -8.864 124 HB2 ASN 16 2HB ASN 16 -4.848 -13.784 -9.187 125 HB3 ASN 16 1HB ASN 16 -3.463 -13.566 -10.242 126 HD21 ASN 16 1HD2 ASN 16 -2.729 -16.375 -10.316 127 HD22 ASN 16 2HD2 ASN 16 -3.957 -17.168 -11.238 128 H GLN 17 H GLN 17 -4.214 -13.363 -6.696 129 HA GLN 17 HA GLN 17 -2.742 -10.942 -6.894 130 HB2 GLN 17 2HB GLN 17 -5.139 -11.110 -6.150 131 HB3 GLN 17 1HB GLN 17 -4.570 -11.853 -4.670 132 HG2 GLN 17 2HG GLN 17 -5.069 -9.521 -4.301 133 HG3 GLN 17 1HG GLN 17 -3.344 -9.818 -4.113 134 HE21 GLN 17 1HE2 GLN 17 -4.892 -9.590 -7.269 135 HE22 GLN 17 2HE2 GLN 17 -4.167 -8.086 -7.695 136 H LEU 18 H LEU 18 -2.833 -13.531 -4.448 137 HA LEU 18 HA LEU 18 -0.887 -12.454 -2.735 138 HB2 LEU 18 2HB LEU 18 -1.899 -15.219 -3.205 139 HB3 LEU 18 1HB LEU 18 -0.419 -15.023 -2.296 140 HG LEU 18 HG LEU 18 -2.340 -15.311 -0.842 141 HD11 LEU 18 1HD1 LEU 18 -1.952 -13.409 0.632 142 HD12 LEU 18 2HD1 LEU 18 -1.141 -12.548 -0.661 143 HD13 LEU 18 3HD1 LEU 18 -0.451 -14.036 -0.029 144 HD21 LEU 18 1HD2 LEU 18 -4.031 -14.279 -2.315 145 HD22 LEU 18 2HD2 LEU 18 -3.359 -12.687 -1.939 146 HD23 LEU 18 3HD2 LEU 18 -4.091 -13.672 -0.668 147 H GLU 19 H GLU 19 -0.580 -14.599 -5.471 148 HA GLU 19 HA GLU 19 2.151 -15.095 -5.333 149 HB2 GLU 19 2HB GLU 19 0.510 -16.301 -6.741 150 HB3 GLU 19 1HB GLU 19 0.387 -14.889 -7.774 151 HG2 GLU 19 2HG GLU 19 2.716 -15.120 -8.395 152 HG3 GLU 19 1HG GLU 19 2.864 -16.510 -7.312 153 H SER 20 H SER 20 0.366 -12.627 -7.185 154 HA SER 20 HA SER 20 2.668 -11.436 -8.294 155 HB2 SER 20 2HB SER 20 -0.046 -10.161 -7.859 156 HB3 SER 20 1HB SER 20 1.180 -9.651 -9.021 157 HG SER 20 HG SER 20 -0.378 -12.000 -8.991 158 H ILE 21 H ILE 21 0.779 -10.676 -5.370 159 HA ILE 21 HA ILE 21 2.174 -8.357 -4.720 160 HB ILE 21 HB ILE 21 0.528 -10.293 -3.071 161 HG12 ILE 21 2HG1 ILE 21 -0.713 -8.930 -4.672 162 HG13 ILE 21 1HG1 ILE 21 -1.110 -8.479 -3.023 163 HG21 ILE 21 1HG2 ILE 21 2.164 -9.364 -1.590 164 HG22 ILE 21 2HG2 ILE 21 0.552 -8.731 -1.231 165 HG23 ILE 21 3HG2 ILE 21 1.729 -7.729 -2.095 166 HD11 ILE 21 1HD1 ILE 21 0.395 -6.528 -3.231 167 HD12 ILE 21 2HD1 ILE 21 -0.929 -6.512 -4.387 168 HD13 ILE 21 3HD1 ILE 21 0.686 -6.959 -4.920 169 H ALA 22 H ALA 22 2.730 -11.746 -3.833 170 HA ALA 22 HA ALA 22 4.836 -11.251 -2.053 171 HB1 ALA 22 1HB ALA 22 3.639 -13.391 -2.157 172 HB2 ALA 22 2HB ALA 22 5.386 -13.607 -2.280 173 HB3 ALA 22 3HB ALA 22 4.379 -13.718 -3.725 174 H TYR 23 H TYR 23 4.895 -11.920 -5.568 175 HA TYR 23 HA TYR 23 7.727 -11.805 -5.659 176 HB2 TYR 23 2HB TYR 23 5.681 -11.592 -7.864 177 HB3 TYR 23 1HB TYR 23 7.413 -11.500 -8.161 178 HD1 TYR 23 1HD TYR 23 8.809 -13.467 -7.156 179 HD2 TYR 23 2HD TYR 23 4.651 -13.666 -7.963 180 HE1 TYR 23 1HE TYR 23 8.938 -15.921 -7.234 181 HE2 TYR 23 2HE TYR 23 4.779 -16.118 -8.035 182 HH TYR 23 HH TYR 23 6.426 -17.841 -8.414 183 H SER 24 H SER 24 5.223 -9.417 -6.362 184 HA SER 24 HA SER 24 6.923 -7.390 -7.221 185 HB2 SER 24 2HB SER 24 4.461 -7.373 -7.540 186 HB3 SER 24 1HB SER 24 4.250 -7.149 -5.809 187 HG SER 24 HG SER 24 4.514 -5.301 -7.618 188 H LEU 25 H LEU 25 5.906 -8.373 -3.997 189 HA LEU 25 HA LEU 25 6.840 -6.145 -2.540 190 HB2 LEU 25 2HB LEU 25 5.352 -8.172 -1.816 191 HB3 LEU 25 1HB LEU 25 6.864 -9.000 -1.568 192 HG LEU 25 HG LEU 25 5.876 -8.178 0.524 193 HD11 LEU 25 1HD1 LEU 25 8.472 -6.897 -0.205 194 HD12 LEU 25 2HD1 LEU 25 8.220 -8.446 0.618 195 HD13 LEU 25 3HD1 LEU 25 7.780 -6.919 1.408 196 HD21 LEU 25 1HD2 LEU 25 5.809 -5.801 1.029 197 HD22 LEU 25 2HD2 LEU 25 4.748 -6.229 -0.315 198 HD23 LEU 25 3HD2 LEU 25 6.290 -5.435 -0.628 199 H LYS 26 H LYS 26 8.350 -9.297 -3.223 200 HA LYS 26 HA LYS 26 10.771 -8.718 -1.921 201 HB2 LYS 26 2HB LYS 26 10.264 -10.633 -4.174 202 HB3 LYS 26 1HB LYS 26 11.750 -10.570 -3.235 203 HG2 LYS 26 2HG LYS 26 10.376 -11.056 -1.207 204 HG3 LYS 26 1HG LYS 26 9.006 -11.322 -2.285 205 HD2 LYS 26 2HD LYS 26 11.634 -12.812 -2.412 206 HD3 LYS 26 1HD LYS 26 10.161 -13.428 -1.668 207 HE2 LYS 26 2HE LYS 26 9.028 -13.452 -3.773 208 HE3 LYS 26 1HE LYS 26 10.360 -12.621 -4.574 209 HZ1 LYS 26 1HZ LYS 26 10.344 -15.033 -4.978 210 HZ2 LYS 26 2HZ LYS 26 10.560 -15.316 -3.321 211 HZ3 LYS 26 3HZ LYS 26 11.743 -14.512 -4.210 212 H ASN 27 H ASN 27 9.805 -8.353 -5.264 213 HA ASN 27 HA ASN 27 12.370 -7.604 -6.146 214 HB2 ASN 27 2HB ASN 27 9.663 -7.218 -7.433 215 HB3 ASN 27 1HB ASN 27 11.194 -6.823 -8.219 216 HD21 ASN 27 1HD2 ASN 27 9.124 -8.830 -8.885 217 HD22 ASN 27 2HD2 ASN 27 9.961 -10.336 -8.963 218 H THR 28 H THR 28 9.595 -5.684 -5.017 219 HA THR 28 HA THR 28 10.736 -3.196 -5.651 220 HB THR 28 HB THR 28 8.787 -3.828 -3.414 221 HG1 THR 28 1HG THR 28 7.637 -4.392 -5.113 222 HG21 THR 28 1HG2 THR 28 9.792 -1.573 -3.275 223 HG22 THR 28 2HG2 THR 28 8.076 -1.492 -3.677 224 HG23 THR 28 3HG2 THR 28 9.288 -1.255 -4.936 225 H ILE 29 H ILE 29 11.013 -5.285 -2.805 226 HA ILE 29 HA ILE 29 12.492 -3.403 -1.247 227 HB ILE 29 HB ILE 29 12.659 -6.426 -0.955 228 HG12 ILE 29 2HG1 ILE 29 10.285 -5.759 -0.922 229 HG13 ILE 29 1HG1 ILE 29 10.832 -6.300 0.660 230 HG21 ILE 29 1HG2 ILE 29 13.196 -5.951 1.351 231 HG22 ILE 29 2HG2 ILE 29 12.999 -4.227 1.052 232 HG23 ILE 29 3HG2 ILE 29 14.306 -5.102 0.261 233 HD11 ILE 29 1HD1 ILE 29 10.414 -3.453 -0.220 234 HD12 ILE 29 2HD1 ILE 29 10.997 -3.966 1.368 235 HD13 ILE 29 3HD1 ILE 29 9.370 -4.395 0.847 236 H SER 30 H SER 30 13.337 -5.959 -3.486 237 HA SER 30 HA SER 30 16.096 -5.985 -2.999 238 HB2 SER 30 2HB SER 30 14.587 -6.813 -5.488 239 HB3 SER 30 1HB SER 30 16.267 -7.227 -5.125 240 HG SER 30 HG SER 30 13.917 -7.992 -3.754 241 H GLU 31 H GLU 31 14.170 -4.169 -5.420 242 HA GLU 31 HA GLU 31 16.487 -3.022 -6.603 243 HB2 GLU 31 2HB GLU 31 14.968 -1.504 -7.767 244 HB3 GLU 31 1HB GLU 31 14.392 -3.162 -7.863 245 HG2 GLU 31 2HG GLU 31 12.729 -2.735 -6.202 246 HG3 GLU 31 1HG GLU 31 13.374 -1.124 -5.906 247 H ALA 32 H ALA 32 14.526 -2.194 -3.879 248 HA ALA 32 HA ALA 32 15.258 0.491 -3.534 249 HB1 ALA 32 1HB ALA 32 14.628 -1.578 -1.416 250 HB2 ALA 32 2HB ALA 32 13.440 -0.596 -2.270 251 HB3 ALA 32 3HB ALA 32 14.588 0.168 -1.178 252 H GLY 33 H GLY 33 16.725 -2.507 -2.466 253 HA2 GLY 33 2HA GLY 33 18.911 -3.041 -2.083 254 HA3 GLY 33 1HA GLY 33 19.335 -1.483 -2.770 255 H ASP 34 H ASP 34 19.892 0.144 -1.481 256 HA ASP 34 HA ASP 34 20.459 -0.571 1.290 257 HB2 ASP 34 2HB ASP 34 22.333 0.191 0.005 258 HB3 ASP 34 1HB ASP 34 21.475 1.621 -0.532 259 H LYS 35 H LYS 35 18.164 1.036 -0.434 260 HA LYS 35 HA LYS 35 17.528 3.245 1.184 261 HB2 LYS 35 2HB LYS 35 15.863 1.556 -0.644 262 HB3 LYS 35 1HB LYS 35 15.191 2.930 0.218 263 HG2 LYS 35 2HG LYS 35 17.450 3.013 -1.767 264 HG3 LYS 35 1HG LYS 35 15.773 3.468 -2.086 265 HD2 LYS 35 2HD LYS 35 16.008 5.151 -0.223 266 HD3 LYS 35 1HD LYS 35 17.733 4.765 -0.229 267 HE2 LYS 35 2HE LYS 35 17.926 5.485 -2.524 268 HE3 LYS 35 1HE LYS 35 16.183 5.762 -2.598 269 HZ1 LYS 35 1HZ LYS 35 16.443 7.447 -0.858 270 HZ2 LYS 35 2HZ LYS 35 17.321 7.833 -2.235 271 HZ3 LYS 35 3HZ LYS 35 18.115 7.234 -0.889 272 H LEU 36 H LEU 36 16.915 -0.151 1.586 273 HA LEU 36 HA LEU 36 15.298 0.548 3.908 274 HB2 LEU 36 2HB LEU 36 14.080 -0.373 1.842 275 HB3 LEU 36 1HB LEU 36 14.871 -1.887 2.178 276 HG LEU 36 HG LEU 36 13.052 -0.552 4.191 277 HD11 LEU 36 1HD1 LEU 36 12.349 -2.588 2.096 278 HD12 LEU 36 2HD1 LEU 36 11.885 -0.895 2.062 279 HD13 LEU 36 3HD1 LEU 36 11.264 -1.950 3.336 280 HD21 LEU 36 1HD2 LEU 36 13.875 -3.418 3.773 281 HD22 LEU 36 2HD2 LEU 36 12.821 -2.809 5.047 282 HD23 LEU 36 3HD2 LEU 36 14.524 -2.337 5.003 283 H GLU 37 H GLU 37 15.701 -0.603 5.708 284 HA GLU 37 HA GLU 37 18.309 -1.445 6.203 285 HB2 GLU 37 2HB GLU 37 15.787 -1.813 7.780 286 HB3 GLU 37 1HB GLU 37 17.408 -2.081 8.398 287 HG2 GLU 37 2HG GLU 37 17.961 0.235 8.090 288 HG3 GLU 37 1HG GLU 37 16.396 0.529 7.328 289 H GLN 38 H GLN 38 19.203 -3.417 6.653 290 HA GLN 38 HA GLN 38 18.444 -5.509 4.983 291 HB2 GLN 38 2HB GLN 38 20.762 -5.077 5.648 292 HB3 GLN 38 1HB GLN 38 20.392 -5.596 7.284 293 HG2 GLN 38 2HG GLN 38 21.534 -7.338 6.011 294 HG3 GLN 38 1HG GLN 38 19.908 -7.842 6.483 295 HE21 GLN 38 1HE2 GLN 38 19.786 -9.347 4.854 296 HE22 GLN 38 2HE2 GLN 38 19.574 -8.938 3.199 297 H ALA 39 H ALA 39 18.090 -5.274 8.528 298 HA ALA 39 HA ALA 39 17.056 -7.883 8.880 299 HB1 ALA 39 1HB ALA 39 16.199 -7.090 11.042 300 HB2 ALA 39 2HB ALA 39 16.526 -5.426 10.563 301 HB3 ALA 39 3HB ALA 39 17.859 -6.562 10.787 302 H ASP 40 H ASP 40 15.479 -4.794 8.426 303 HA ASP 40 HA ASP 40 12.826 -5.706 8.496 304 HB2 ASP 40 2HB ASP 40 14.040 -3.288 7.123 305 HB3 ASP 40 1HB ASP 40 12.314 -3.557 7.314 306 H LYS 41 H LYS 41 15.085 -5.200 5.858 307 HA LYS 41 HA LYS 41 13.599 -5.862 3.612 308 HB2 LYS 41 2HB LYS 41 15.830 -4.947 3.509 309 HB3 LYS 41 1HB LYS 41 16.493 -6.370 4.288 310 HG2 LYS 41 2HG LYS 41 15.831 -7.695 2.292 311 HG3 LYS 41 1HG LYS 41 15.337 -6.204 1.504 312 HD2 LYS 41 2HD LYS 41 18.120 -6.849 2.508 313 HD3 LYS 41 1HD LYS 41 17.600 -6.838 0.822 314 HE2 LYS 41 2HE LYS 41 17.192 -4.442 0.937 315 HE3 LYS 41 1HE LYS 41 17.587 -4.433 2.654 316 HZ1 LYS 41 1HZ LYS 41 19.839 -5.085 2.108 317 HZ2 LYS 41 2HZ LYS 41 19.423 -3.670 1.322 318 HZ3 LYS 41 3HZ LYS 41 19.472 -5.119 0.464 319 H ASP 42 H ASP 42 15.542 -7.932 5.719 320 HA ASP 42 HA ASP 42 15.015 -10.340 4.355 321 HB2 ASP 42 2HB ASP 42 16.937 -10.067 5.844 322 HB3 ASP 42 1HB ASP 42 15.857 -9.859 7.216 323 H THR 43 H THR 43 13.510 -8.793 7.108 324 HA THR 43 HA THR 43 11.751 -10.811 7.813 325 HB THR 43 HB THR 43 11.392 -7.808 8.019 326 HG1 THR 43 1HG THR 43 13.198 -8.461 9.153 327 HG21 THR 43 1HG2 THR 43 9.973 -10.023 9.534 328 HG22 THR 43 2HG2 THR 43 9.239 -8.972 8.325 329 HG23 THR 43 3HG2 THR 43 9.807 -8.296 9.848 330 H VAL 44 H VAL 44 11.141 -8.070 5.566 331 HA VAL 44 HA VAL 44 8.569 -9.033 4.876 332 HB VAL 44 HB VAL 44 8.916 -7.620 2.757 333 HG11 VAL 44 1HG1 VAL 44 7.403 -7.015 4.586 334 HG12 VAL 44 2HG1 VAL 44 8.274 -5.570 4.062 335 HG13 VAL 44 3HG1 VAL 44 8.767 -6.416 5.530 336 HG21 VAL 44 1HG2 VAL 44 10.459 -5.712 3.070 337 HG22 VAL 44 2HG2 VAL 44 11.291 -7.259 2.910 338 HG23 VAL 44 3HG2 VAL 44 11.112 -6.515 4.496 339 H THR 45 H THR 45 11.605 -9.301 3.116 340 HA THR 45 HA THR 45 10.499 -10.589 0.923 341 HB THR 45 HB THR 45 12.760 -11.433 0.491 342 HG1 THR 45 1HG THR 45 13.554 -9.792 2.691 343 HG21 THR 45 1HG2 THR 45 12.035 -9.331 -0.464 344 HG22 THR 45 2HG2 THR 45 13.727 -9.182 0.010 345 HG23 THR 45 3HG2 THR 45 12.462 -8.474 1.017 346 H LYS 46 H LYS 46 11.953 -12.003 3.847 347 HA LYS 46 HA LYS 46 11.636 -14.672 2.939 348 HB2 LYS 46 2HB LYS 46 12.002 -13.605 5.744 349 HB3 LYS 46 1HB LYS 46 12.054 -15.310 5.316 350 HG2 LYS 46 2HG LYS 46 13.905 -13.238 4.158 351 HG3 LYS 46 1HG LYS 46 14.295 -14.212 5.576 352 HD2 LYS 46 2HD LYS 46 14.133 -16.241 4.233 353 HD3 LYS 46 1HD LYS 46 13.644 -15.293 2.830 354 HE2 LYS 46 2HE LYS 46 16.032 -15.919 2.741 355 HE3 LYS 46 1HE LYS 46 15.787 -14.182 2.772 356 HZ1 LYS 46 1HZ LYS 46 16.386 -14.122 5.082 357 HZ2 LYS 46 2HZ LYS 46 17.598 -14.913 4.239 358 HZ3 LYS 46 3HZ LYS 46 16.485 -15.806 5.160 359 H LYS 47 H LYS 47 9.525 -12.426 4.521 360 HA LYS 47 HA LYS 47 7.553 -14.339 5.303 361 HB2 LYS 47 2HB LYS 47 7.883 -11.828 6.045 362 HB3 LYS 47 1HB LYS 47 7.007 -11.439 4.582 363 HG2 LYS 47 2HG LYS 47 5.952 -13.069 6.899 364 HG3 LYS 47 1HG LYS 47 5.567 -11.387 6.567 365 HD2 LYS 47 2HD LYS 47 4.465 -12.029 4.502 366 HD3 LYS 47 1HD LYS 47 4.938 -13.708 4.745 367 HE2 LYS 47 2HE LYS 47 3.675 -13.585 6.933 368 HE3 LYS 47 1HE LYS 47 3.016 -12.053 6.318 369 HZ1 LYS 47 1HZ LYS 47 1.631 -14.034 5.934 370 HZ2 LYS 47 2HZ LYS 47 2.851 -14.651 4.950 371 HZ3 LYS 47 3HZ LYS 47 2.042 -13.242 4.472 372 H ALA 48 H ALA 48 8.222 -12.402 2.422 373 HA ALA 48 HA ALA 48 5.877 -13.136 1.019 374 HB1 ALA 48 1HB ALA 48 8.562 -12.247 -0.051 375 HB2 ALA 48 2HB ALA 48 7.216 -11.187 0.368 376 HB3 ALA 48 3HB ALA 48 7.066 -12.312 -0.979 377 H GLU 49 H GLU 49 9.060 -14.498 1.342 378 HA GLU 49 HA GLU 49 8.814 -16.628 -0.480 379 HB2 GLU 49 2HB GLU 49 10.427 -16.411 2.066 380 HB3 GLU 49 1HB GLU 49 10.589 -17.718 0.903 381 HG2 GLU 49 2HG GLU 49 11.021 -14.823 0.231 382 HG3 GLU 49 1HG GLU 49 12.306 -15.917 0.733 383 H GLU 50 H GLU 50 7.841 -16.283 2.931 384 HA GLU 50 HA GLU 50 7.078 -19.008 3.094 385 HB2 GLU 50 2HB GLU 50 6.298 -18.611 5.336 386 HB3 GLU 50 1HB GLU 50 7.621 -17.491 5.111 387 HG2 GLU 50 2HG GLU 50 5.967 -16.397 6.381 388 HG3 GLU 50 1HG GLU 50 5.981 -15.676 4.780 389 H THR 51 H THR 51 5.547 -16.089 2.126 390 HA THR 51 HA THR 51 2.968 -17.079 2.012 391 HB THR 51 HB THR 51 4.247 -14.815 0.485 392 HG1 THR 51 1HG THR 51 3.610 -15.166 3.011 393 HG21 THR 51 1HG2 THR 51 1.307 -15.456 0.868 394 HG22 THR 51 2HG2 THR 51 2.181 -15.524 -0.660 395 HG23 THR 51 3HG2 THR 51 1.936 -13.975 0.144 396 H ILE 52 H ILE 52 5.479 -16.885 -0.472 397 HA ILE 52 HA ILE 52 3.971 -18.047 -2.563 398 HB ILE 52 HB ILE 52 6.988 -18.181 -2.180 399 HG12 ILE 52 2HG1 ILE 52 5.311 -16.210 -3.756 400 HG13 ILE 52 1HG1 ILE 52 6.082 -15.885 -2.210 401 HG21 ILE 52 1HG2 ILE 52 7.086 -18.534 -4.613 402 HG22 ILE 52 2HG2 ILE 52 5.325 -18.547 -4.690 403 HG23 ILE 52 3HG2 ILE 52 6.179 -19.825 -3.827 404 HD11 ILE 52 1HD1 ILE 52 7.353 -14.937 -4.037 405 HD12 ILE 52 2HD1 ILE 52 7.486 -16.526 -4.789 406 HD13 ILE 52 3HD1 ILE 52 8.277 -16.214 -3.243 407 H SER 53 H SER 53 6.143 -19.470 -0.172 408 HA SER 53 HA SER 53 5.935 -22.139 -0.911 409 HB2 SER 53 2HB SER 53 7.607 -21.387 0.667 410 HB3 SER 53 1HB SER 53 6.368 -20.861 1.802 411 HG SER 53 HG SER 53 5.831 -22.941 2.176 412 H TRP 54 H TRP 54 3.974 -20.222 1.341 413 HA TRP 54 HA TRP 54 2.260 -22.220 2.194 414 HB2 TRP 54 2HB TRP 54 2.460 -19.928 3.195 415 HB3 TRP 54 1HB TRP 54 1.588 -19.289 1.816 416 HD1 TRP 54 HD TRP 54 1.070 -21.328 4.984 417 HE1 TRP 54 1HE TRP 54 -1.439 -21.446 5.481 418 HE3 TRP 54 3HE TRP 54 -0.689 -19.220 0.700 419 HZ2 TRP 54 2HZ TRP 54 -3.856 -20.756 4.214 420 HZ3 TRP 54 3HZ TRP 54 -3.116 -18.984 0.411 421 HH2 TRP 54 HH TRP 54 -4.663 -19.731 2.122 422 H LEU 55 H LEU 55 2.045 -20.040 -0.576 423 HA LEU 55 HA LEU 55 -0.494 -20.820 -1.514 424 HB2 LEU 55 2HB LEU 55 1.870 -19.864 -3.118 425 HB3 LEU 55 1HB LEU 55 0.222 -19.934 -3.692 426 HG LEU 55 HG LEU 55 1.213 -18.151 -1.471 427 HD11 LEU 55 1HD1 LEU 55 0.516 -17.525 -4.334 428 HD12 LEU 55 2HD1 LEU 55 2.141 -17.555 -3.656 429 HD13 LEU 55 3HD1 LEU 55 0.981 -16.351 -3.104 430 HD21 LEU 55 1HD2 LEU 55 -0.951 -17.064 -1.687 431 HD22 LEU 55 2HD2 LEU 55 -1.160 -18.767 -1.277 432 HD23 LEU 55 3HD2 LEU 55 -1.425 -18.219 -2.929 433 H ASP 56 H ASP 56 2.668 -22.201 -1.996 434 HA ASP 56 HA ASP 56 1.740 -23.926 -4.100 435 HB2 ASP 56 2HB ASP 56 4.068 -23.058 -4.033 436 HB3 ASP 56 1HB ASP 56 4.351 -23.990 -2.571 437 H SER 57 H SER 57 2.014 -24.049 -0.692 438 HA SER 57 HA SER 57 1.777 -26.929 -0.565 439 HB2 SER 57 2HB SER 57 1.793 -24.893 1.674 440 HB3 SER 57 1HB SER 57 2.003 -26.638 1.840 441 HG SER 57 HG SER 57 3.728 -24.905 0.376 442 H ASN 58 H ASN 58 -0.241 -24.050 -0.022 443 HA ASN 58 HA ASN 58 -2.513 -25.803 0.605 444 HB2 ASN 58 2HB ASN 58 -1.915 -23.011 1.636 445 HB3 ASN 58 1HB ASN 58 -3.458 -23.821 1.869 446 HD21 ASN 58 1HD2 ASN 58 -0.155 -23.634 2.843 447 HD22 ASN 58 2HD2 ASN 58 -0.269 -24.723 4.173 448 H THR 59 H THR 59 -1.700 -25.243 -1.868 449 HA THR 59 HA THR 59 -2.599 -23.021 -3.206 450 HB THR 59 HB THR 59 -0.990 -24.653 -4.082 451 HG1 THR 59 1HG THR 59 -1.423 -24.074 -6.000 452 HG21 THR 59 1HG2 THR 59 -3.374 -26.447 -4.489 453 HG22 THR 59 2HG2 THR 59 -2.018 -26.719 -3.386 454 HG23 THR 59 3HG2 THR 59 -1.759 -26.738 -5.128 455 H THR 60 H THR 60 -4.569 -25.707 -2.105 456 HA THR 60 HA THR 60 -6.807 -24.645 -3.668 457 HB THR 60 HB THR 60 -7.832 -26.937 -3.194 458 HG1 THR 60 1HG THR 60 -6.587 -28.465 -2.456 459 HG21 THR 60 1HG2 THR 60 -5.394 -26.718 -4.971 460 HG22 THR 60 2HG2 THR 60 -7.055 -26.306 -5.413 461 HG23 THR 60 3HG2 THR 60 -6.620 -27.979 -5.076 462 H ALA 61 H ALA 61 -5.785 -23.825 -0.916 463 HA ALA 61 HA ALA 61 -7.786 -24.694 0.941 464 HB1 ALA 61 1HB ALA 61 -6.835 -23.024 2.449 465 HB2 ALA 61 2HB ALA 61 -5.888 -22.352 1.120 466 HB3 ALA 61 3HB ALA 61 -5.566 -23.990 1.695 467 H SER 62 H SER 62 -9.038 -22.864 2.174 468 HA SER 62 HA SER 62 -11.032 -21.869 0.520 469 HB2 SER 62 2HB SER 62 -11.521 -22.249 2.813 470 HB3 SER 62 1HB SER 62 -10.213 -21.199 3.350 471 HG SER 62 HG SER 62 -12.679 -20.560 3.080 472 H LYS 63 H LYS 63 -11.597 -19.746 -0.056 473 HA LYS 63 HA LYS 63 -9.549 -18.111 -1.093 474 HB2 LYS 63 2HB LYS 63 -11.905 -18.081 -1.884 475 HB3 LYS 63 1HB LYS 63 -12.383 -17.366 -0.354 476 HG2 LYS 63 2HG LYS 63 -10.852 -15.433 -0.904 477 HG3 LYS 63 1HG LYS 63 -10.680 -16.131 -2.512 478 HD2 LYS 63 2HD LYS 63 -12.383 -14.417 -2.581 479 HD3 LYS 63 1HD LYS 63 -13.147 -15.998 -2.778 480 HE2 LYS 63 2HE LYS 63 -14.449 -14.628 -1.256 481 HE3 LYS 63 1HE LYS 63 -13.757 -15.985 -0.385 482 HZ1 LYS 63 1HZ LYS 63 -13.009 -13.132 -0.244 483 HZ2 LYS 63 2HZ LYS 63 -11.885 -14.279 0.194 484 HZ3 LYS 63 3HZ LYS 63 -13.329 -14.205 1.023 485 H GLU 64 H GLU 64 -11.404 -18.112 1.868 486 HA GLU 64 HA GLU 64 -10.642 -15.662 2.981 487 HB2 GLU 64 2HB GLU 64 -11.412 -18.244 4.341 488 HB3 GLU 64 1HB GLU 64 -11.302 -16.679 5.131 489 HG2 GLU 64 2HG GLU 64 -13.188 -17.375 2.889 490 HG3 GLU 64 1HG GLU 64 -13.607 -17.294 4.600 491 H GLU 65 H GLU 65 -9.005 -18.732 2.822 492 HA GLU 65 HA GLU 65 -7.063 -18.160 4.840 493 HB2 GLU 65 2HB GLU 65 -7.099 -20.179 2.593 494 HB3 GLU 65 1HB GLU 65 -5.825 -20.073 3.801 495 HG2 GLU 65 2HG GLU 65 -8.709 -20.519 4.464 496 HG3 GLU 65 1HG GLU 65 -7.533 -21.823 4.245 497 H PHE 66 H PHE 66 -7.184 -17.915 1.327 498 HA PHE 66 HA PHE 66 -4.549 -16.928 1.031 499 HB2 PHE 66 2HB PHE 66 -6.963 -16.673 -0.786 500 HB3 PHE 66 1HB PHE 66 -5.352 -16.122 -1.224 501 HD1 PHE 66 1HD PHE 66 -3.563 -17.718 -1.624 502 HD2 PHE 66 2HD PHE 66 -7.515 -19.033 -0.768 503 HE1 PHE 66 1HE PHE 66 -2.996 -19.966 -2.445 504 HE2 PHE 66 2HE PHE 66 -6.951 -21.269 -1.585 505 HZ PHE 66 HZ PHE 66 -4.691 -21.744 -2.424 506 H ASP 67 H ASP 67 -7.682 -15.389 1.404 507 HA ASP 67 HA ASP 67 -6.875 -12.712 1.240 508 HB2 ASP 67 2HB ASP 67 -9.118 -13.968 2.821 509 HB3 ASP 67 1HB ASP 67 -8.842 -12.236 2.783 510 H ASP 68 H ASP 68 -6.978 -14.895 3.992 511 HA ASP 68 HA ASP 68 -6.253 -12.980 5.955 512 HB2 ASP 68 2HB ASP 68 -7.298 -15.323 6.271 513 HB3 ASP 68 1HB ASP 68 -5.638 -15.905 6.146 514 H LYS 69 H LYS 69 -4.409 -15.244 3.982 515 HA LYS 69 HA LYS 69 -1.880 -14.694 5.095 516 HB2 LYS 69 2HB LYS 69 -2.339 -16.708 3.735 517 HB3 LYS 69 1HB LYS 69 -2.623 -15.701 2.333 518 HG2 LYS 69 2HG LYS 69 -0.434 -16.765 2.212 519 HG3 LYS 69 1HG LYS 69 -0.284 -15.015 2.321 520 HD2 LYS 69 2HD LYS 69 1.385 -16.077 3.731 521 HD3 LYS 69 1HD LYS 69 0.216 -15.229 4.733 522 HE2 LYS 69 2HE LYS 69 -0.920 -17.386 5.161 523 HE3 LYS 69 1HE LYS 69 0.306 -18.203 4.199 524 HZ1 LYS 69 1HZ LYS 69 0.792 -16.640 6.666 525 HZ2 LYS 69 2HZ LYS 69 1.994 -17.498 5.827 526 HZ3 LYS 69 3HZ LYS 69 0.727 -18.318 6.598 527 H LEU 70 H LEU 70 -3.757 -13.197 2.532 528 HA LEU 70 HA LEU 70 -1.791 -11.392 1.590 529 HB2 LEU 70 2HB LEU 70 -3.934 -11.993 0.402 530 HB3 LEU 70 1HB LEU 70 -4.817 -11.077 1.590 531 HG LEU 70 HG LEU 70 -4.559 -9.980 -0.651 532 HD11 LEU 70 1HD1 LEU 70 -4.010 -7.744 0.153 533 HD12 LEU 70 2HD1 LEU 70 -3.396 -8.441 1.653 534 HD13 LEU 70 3HD1 LEU 70 -5.101 -8.601 1.239 535 HD21 LEU 70 1HD2 LEU 70 -2.295 -10.691 -1.186 536 HD22 LEU 70 2HD2 LEU 70 -1.657 -9.725 0.141 537 HD23 LEU 70 3HD2 LEU 70 -2.420 -8.936 -1.236 538 H LYS 71 H LYS 71 -4.321 -11.175 4.026 539 HA LYS 71 HA LYS 71 -3.826 -8.586 4.884 540 HB2 LYS 71 2HB LYS 71 -5.798 -9.694 5.687 541 HB3 LYS 71 1HB LYS 71 -4.846 -10.965 6.448 542 HG2 LYS 71 2HG LYS 71 -3.930 -9.374 8.027 543 HG3 LYS 71 1HG LYS 71 -4.786 -8.062 7.231 544 HD2 LYS 71 2HD LYS 71 -6.907 -8.985 7.917 545 HD3 LYS 71 1HD LYS 71 -6.097 -10.402 8.599 546 HE2 LYS 71 2HE LYS 71 -6.701 -8.680 10.314 547 HE3 LYS 71 1HE LYS 71 -4.988 -9.076 10.252 548 HZ1 LYS 71 1HZ LYS 71 -5.433 -6.674 10.431 549 HZ2 LYS 71 2HZ LYS 71 -6.183 -6.691 8.924 550 HZ3 LYS 71 3HZ LYS 71 -4.535 -7.071 9.069 551 H GLU 72 H GLU 72 -2.349 -11.622 6.012 552 HA GLU 72 HA GLU 72 -0.630 -10.604 7.997 553 HB2 GLU 72 2HB GLU 72 0.001 -12.742 5.977 554 HB3 GLU 72 1HB GLU 72 0.888 -12.444 7.447 555 HG2 GLU 72 2HG GLU 72 -0.968 -13.216 8.753 556 HG3 GLU 72 1HG GLU 72 -1.953 -13.388 7.293 557 H LEU 73 H LEU 73 -0.181 -10.979 4.550 558 HA LEU 73 HA LEU 73 2.503 -10.169 4.435 559 HB2 LEU 73 2HB LEU 73 1.076 -11.368 2.618 560 HB3 LEU 73 1HB LEU 73 0.475 -9.795 2.206 561 HG LEU 73 HG LEU 73 2.204 -10.594 0.663 562 HD11 LEU 73 1HD1 LEU 73 3.634 -8.616 0.593 563 HD12 LEU 73 2HD1 LEU 73 3.102 -8.174 2.217 564 HD13 LEU 73 3HD1 LEU 73 1.947 -8.196 0.886 565 HD21 LEU 73 1HD2 LEU 73 4.542 -10.737 1.340 566 HD22 LEU 73 2HD2 LEU 73 3.541 -11.912 2.196 567 HD23 LEU 73 3HD2 LEU 73 4.077 -10.442 3.013 568 H GLN 74 H GLN 74 -0.512 -8.362 4.053 569 HA GLN 74 HA GLN 74 0.752 -5.866 3.584 570 HB2 GLN 74 2HB GLN 74 -2.046 -6.538 4.442 571 HB3 GLN 74 1HB GLN 74 -1.510 -4.903 4.087 572 HG2 GLN 74 2HG GLN 74 -1.504 -7.214 2.155 573 HG3 GLN 74 1HG GLN 74 -2.695 -5.921 2.197 574 HE21 GLN 74 1HE2 GLN 74 0.522 -6.811 1.320 575 HE22 GLN 74 2HE2 GLN 74 0.902 -5.390 0.426 576 H ASP 75 H ASP 75 -0.554 -7.360 6.543 577 HA ASP 75 HA ASP 75 -0.217 -5.110 8.181 578 HB2 ASP 75 2HB ASP 75 -0.608 -8.023 8.716 579 HB3 ASP 75 1HB ASP 75 -0.072 -6.998 10.040 580 H ILE 76 H ILE 76 1.988 -7.679 7.343 581 HA ILE 76 HA ILE 76 4.020 -6.720 9.145 582 HB ILE 76 HB ILE 76 4.228 -8.694 6.847 583 HG12 ILE 76 2HG1 ILE 76 2.774 -9.512 8.625 584 HG13 ILE 76 1HG1 ILE 76 4.272 -10.425 8.589 585 HG21 ILE 76 1HG2 ILE 76 6.256 -8.099 8.998 586 HG22 ILE 76 2HG2 ILE 76 6.414 -7.719 7.286 587 HG23 ILE 76 3HG2 ILE 76 6.375 -9.403 7.815 588 HD11 ILE 76 1HD1 ILE 76 5.086 -9.125 10.515 589 HD12 ILE 76 2HD1 ILE 76 3.585 -9.981 10.867 590 HD13 ILE 76 3HD1 ILE 76 3.553 -8.250 10.551 591 H ALA 77 H ALA 77 3.376 -6.457 5.676 592 HA ALA 77 HA ALA 77 5.820 -5.190 5.073 593 HB1 ALA 77 1HB ALA 77 3.289 -5.127 3.441 594 HB2 ALA 77 2HB ALA 77 4.506 -6.393 3.385 595 HB3 ALA 77 3HB ALA 77 4.917 -4.757 2.867 596 H ASN 78 H ASN 78 2.654 -3.844 5.917 597 HA ASN 78 HA ASN 78 2.908 -1.335 4.902 598 HB2 ASN 78 2HB ASN 78 1.336 -2.325 7.183 599 HB3 ASN 78 1HB ASN 78 1.616 -0.589 7.171 600 HD21 ASN 78 1HD2 ASN 78 0.101 -3.238 5.570 601 HD22 ASN 78 2HD2 ASN 78 -0.932 -2.304 4.538 602 HA PRO 79 HA PRO 79 5.176 0.779 8.517 603 HB2 PRO 79 2HB PRO 79 6.675 -0.784 10.198 604 HB3 PRO 79 1HB PRO 79 5.029 -0.257 10.560 605 HG2 PRO 79 2HG PRO 79 5.992 -2.882 9.507 606 HG3 PRO 79 1HG PRO 79 4.726 -2.550 10.704 607 HD2 PRO 79 2HD PRO 79 4.184 -3.179 8.125 608 HD3 PRO 79 1HD PRO 79 3.144 -2.110 9.083 609 H ILE 80 H ILE 80 6.566 -2.162 7.227 610 HA ILE 80 HA ILE 80 9.228 -1.144 7.092 611 HB ILE 80 HB ILE 80 7.958 -3.595 5.827 612 HG12 ILE 80 2HG1 ILE 80 9.717 -3.330 8.276 613 HG13 ILE 80 1HG1 ILE 80 7.965 -3.461 8.324 614 HG21 ILE 80 1HG2 ILE 80 10.291 -4.400 5.561 615 HG22 ILE 80 2HG2 ILE 80 10.862 -2.795 6.059 616 HG23 ILE 80 3HG2 ILE 80 9.929 -2.984 4.577 617 HD11 ILE 80 1HD1 ILE 80 9.048 -5.575 8.824 618 HD12 ILE 80 2HD1 ILE 80 9.861 -5.542 7.253 619 HD13 ILE 80 3HD1 ILE 80 8.098 -5.663 7.343 620 H MET 81 H MET 81 6.570 -1.525 4.816 621 HA MET 81 HA MET 81 8.002 -0.536 2.554 622 HB2 MET 81 2HB MET 81 5.003 -0.524 2.999 623 HB3 MET 81 1HB MET 81 5.814 -0.298 1.459 624 HG2 MET 81 2HG MET 81 5.798 -2.790 3.136 625 HG3 MET 81 1HG MET 81 4.892 -2.531 1.651 626 HE1 MET 81 1HE MET 81 7.638 -2.595 -1.069 627 HE2 MET 81 2HE MET 81 6.996 -1.151 -0.273 628 HE3 MET 81 3HE MET 81 5.912 -2.509 -0.678 629 H SER 82 H SER 82 6.259 0.896 5.180 630 HA SER 82 HA SER 82 5.967 3.484 4.148 631 HB2 SER 82 2HB SER 82 4.817 2.582 6.177 632 HB3 SER 82 1HB SER 82 6.353 2.622 7.030 633 HG SER 82 HG SER 82 4.864 4.417 7.312 634 H LYS 83 H LYS 83 8.600 1.800 5.778 635 HA LYS 83 HA LYS 83 10.316 4.011 6.028 636 HB2 LYS 83 2HB LYS 83 10.957 1.066 5.772 637 HB3 LYS 83 1HB LYS 83 12.174 2.295 6.054 638 HG2 LYS 83 2HG LYS 83 11.046 2.863 8.179 639 HG3 LYS 83 1HG LYS 83 9.906 1.543 7.894 640 HD2 LYS 83 2HD LYS 83 11.682 -0.081 7.937 641 HD3 LYS 83 1HD LYS 83 12.906 1.183 8.010 642 HE2 LYS 83 2HE LYS 83 12.019 1.856 10.220 643 HE3 LYS 83 1HE LYS 83 10.863 0.529 10.139 644 HZ1 LYS 83 1HZ LYS 83 12.719 -1.038 10.075 645 HZ2 LYS 83 2HZ LYS 83 12.877 -0.046 11.436 646 HZ3 LYS 83 3HZ LYS 83 13.822 0.240 10.079 647 H LEU 84 H LEU 84 9.781 1.636 3.470 648 HA LEU 84 HA LEU 84 11.874 2.430 1.768 649 HB2 LEU 84 2HB LEU 84 10.316 0.321 1.733 650 HB3 LEU 84 1HB LEU 84 9.245 1.328 0.802 651 HG LEU 84 HG LEU 84 12.063 0.611 -0.060 652 HD11 LEU 84 1HD1 LEU 84 10.680 -1.350 0.037 653 HD12 LEU 84 2HD1 LEU 84 11.026 -0.906 -1.631 654 HD13 LEU 84 3HD1 LEU 84 9.440 -0.557 -0.935 655 HD21 LEU 84 1HD2 LEU 84 11.257 2.698 -1.086 656 HD22 LEU 84 2HD2 LEU 84 9.794 1.874 -1.621 657 HD23 LEU 84 3HD2 LEU 84 11.363 1.403 -2.277 658 H TYR 85 H TYR 85 8.479 3.397 2.022 659 HA TYR 85 HA TYR 85 8.296 5.119 -0.142 660 HB2 TYR 85 2HB TYR 85 6.965 5.423 2.550 661 HB3 TYR 85 1HB TYR 85 6.563 6.375 1.132 662 HD1 TYR 85 1HD TYR 85 4.765 4.559 2.853 663 HD2 TYR 85 2HD TYR 85 6.820 3.915 -0.825 664 HE1 TYR 85 1HE TYR 85 3.104 2.865 2.224 665 HE2 TYR 85 2HE TYR 85 5.158 2.223 -1.455 666 HH TYR 85 HH TYR 85 2.229 1.869 0.195 667 H GLN 86 H GLN 86 9.309 5.948 3.149 668 HA GLN 86 HA GLN 86 9.881 8.638 2.379 669 HB2 GLN 86 2HB GLN 86 10.505 7.123 4.902 670 HB3 GLN 86 1HB GLN 86 10.918 8.814 4.659 671 HG2 GLN 86 2HG GLN 86 8.144 7.647 4.587 672 HG3 GLN 86 1HG GLN 86 8.843 8.569 5.916 673 HE21 GLN 86 1HE2 GLN 86 10.204 10.469 4.121 674 HE22 GLN 86 2HE2 GLN 86 8.976 11.479 3.482 675 H ALA 87 H ALA 87 11.728 5.735 2.467 676 HA ALA 87 HA ALA 87 14.283 6.967 2.441 677 HB1 ALA 87 1HB ALA 87 15.132 4.777 1.848 678 HB2 ALA 87 2HB ALA 87 13.498 4.232 1.470 679 HB3 ALA 87 3HB ALA 87 13.926 4.641 3.131 680 H GLY 88 H GLY 88 12.261 5.594 -0.120 681 HA2 GLY 88 2HA GLY 88 13.068 7.565 -1.971 682 HA3 GLY 88 1HA GLY 88 13.983 6.083 -2.239 683 H GLY 89 H GLY 89 10.685 6.379 -1.122 684 HA2 GLY 89 2HA GLY 89 9.884 4.885 -3.507 685 HA3 GLY 89 1HA GLY 89 9.003 4.917 -1.982 686 H ALA 90 H ALA 90 8.914 7.558 -1.417 687 HA ALA 90 HA ALA 90 7.236 8.570 -3.555 688 HB1 ALA 90 1HB ALA 90 6.263 10.106 -1.929 689 HB2 ALA 90 2HB ALA 90 7.419 9.609 -0.703 690 HB3 ALA 90 3HB ALA 90 6.220 8.463 -1.301 691 HA PRO 91 HA PRO 91 10.358 12.120 -3.292 692 HB2 PRO 91 2HB PRO 91 12.561 11.572 -1.511 693 HB3 PRO 91 1HB PRO 91 11.351 12.854 -1.365 694 HG2 PRO 91 2HG PRO 91 11.551 10.736 0.374 695 HG3 PRO 91 1HG PRO 91 10.059 11.649 0.072 696 HD2 PRO 91 2HD PRO 91 10.943 9.029 -1.074 697 HD3 PRO 91 1HD PRO 91 9.345 9.500 -0.465 698 H GLY 92 H GLY 92 10.699 11.103 -5.210 699 HA2 GLY 92 2HA GLY 92 13.354 10.555 -5.917 700 HA3 GLY 92 1HA GLY 92 12.477 9.042 -5.735 701 H GLY 93 H GLY 93 12.342 12.156 -7.316 702 HA2 GLY 93 2HA GLY 93 10.263 11.376 -9.141 703 HA3 GLY 93 1HA GLY 93 11.243 12.834 -9.240 704 H ALA 94 H ALA 94 10.508 11.166 -11.430 705 HA ALA 94 HA ALA 94 12.824 9.594 -12.113 706 HB1 ALA 94 1HB ALA 94 11.670 9.243 -14.254 707 HB2 ALA 94 2HB ALA 94 10.450 10.430 -13.792 708 HB3 ALA 94 3HB ALA 94 10.595 8.920 -12.892 709 H ALA 95 H ALA 95 11.326 12.613 -13.054 710 HA ALA 95 HA ALA 95 13.392 13.289 -14.914 711 HB1 ALA 95 1HB ALA 95 11.125 14.956 -13.835 712 HB2 ALA 95 2HB ALA 95 11.078 13.974 -15.300 713 HB3 ALA 95 3HB ALA 95 12.151 15.369 -15.210 714 H GLY 96 H GLY 96 15.270 13.474 -13.904 715 HA2 GLY 96 2HA GLY 96 15.640 15.831 -12.236 716 HA3 GLY 96 1HA GLY 96 16.163 14.282 -11.576 717 H GLY 97 H GLY 97 16.505 16.382 -14.362 718 HA2 GLY 97 2HA GLY 97 18.915 16.940 -14.800 719 HA3 GLY 97 1HA GLY 97 19.158 15.195 -14.840 720 H ALA 98 H ALA 98 16.399 14.999 -16.034 721 HA ALA 98 HA ALA 98 16.649 16.182 -18.637 722 HB1 ALA 98 1HB ALA 98 16.478 13.974 -19.760 723 HB2 ALA 98 2HB ALA 98 16.657 13.181 -18.197 724 HB3 ALA 98 3HB ALA 98 17.991 14.125 -18.863 725 HA PRO 99 HA PRO 99 12.272 15.943 -18.009 726 HB2 PRO 99 2HB PRO 99 11.318 15.849 -20.558 727 HB3 PRO 99 1HB PRO 99 11.946 17.328 -19.822 728 HG2 PRO 99 2HG PRO 99 13.275 15.445 -21.714 729 HG3 PRO 99 1HG PRO 99 13.344 17.214 -21.658 730 HD2 PRO 99 2HD PRO 99 15.326 15.609 -20.685 731 HD3 PRO 99 1HD PRO 99 14.975 17.224 -20.037 732 H GLY 100 H GLY 100 12.118 14.001 -17.053 733 HA2 GLY 100 2HA GLY 100 10.709 12.038 -17.131 734 HA3 GLY 100 1HA GLY 100 11.317 11.761 -18.768 735 H GLY 101 H GLY 101 11.912 9.651 -18.030 736 HA2 GLY 101 2HA GLY 101 14.533 9.701 -16.735 737 HA3 GLY 101 1HA GLY 101 13.309 8.531 -16.230 Start of MODEL 10 1 H1 SER 1 1HT SER 1 -21.864 -25.714 -12.964 2 H2 SER 1 2HT SER 1 -22.181 -24.976 -14.464 3 H3 SER 1 3HT SER 1 -23.241 -26.153 -13.853 4 HA SER 1 HA SER 1 -24.096 -23.938 -13.575 5 HB2 SER 1 2HB SER 1 -23.234 -25.301 -11.009 6 HB3 SER 1 1HB SER 1 -24.549 -24.139 -11.147 7 HG SER 1 HG SER 1 -24.431 -26.812 -11.844 8 H LYS 2 H LYS 2 -23.894 -21.967 -12.200 9 HA LYS 2 HA LYS 2 -21.371 -20.760 -12.561 10 HB2 LYS 2 2HB LYS 2 -23.653 -19.632 -12.622 11 HB3 LYS 2 1HB LYS 2 -23.629 -19.704 -10.869 12 HG2 LYS 2 2HG LYS 2 -22.935 -17.516 -11.536 13 HG3 LYS 2 1HG LYS 2 -21.517 -18.362 -10.913 14 HD2 LYS 2 2HD LYS 2 -20.798 -18.866 -13.196 15 HD3 LYS 2 1HD LYS 2 -22.244 -18.083 -13.831 16 HE2 LYS 2 2HE LYS 2 -20.421 -16.557 -14.048 17 HE3 LYS 2 1HE LYS 2 -21.467 -15.967 -12.760 18 HZ1 LYS 2 1HZ LYS 2 -18.930 -17.462 -12.388 19 HZ2 LYS 2 2HZ LYS 2 -19.862 -16.817 -11.121 20 HZ3 LYS 2 3HZ LYS 2 -19.129 -15.812 -12.232 21 H GLU 3 H GLU 3 -22.873 -22.401 -9.925 22 HA GLU 3 HA GLU 3 -21.769 -21.231 -7.654 23 HB2 GLU 3 2HB GLU 3 -23.661 -22.926 -7.908 24 HB3 GLU 3 1HB GLU 3 -22.430 -24.154 -8.035 25 HG2 GLU 3 2HG GLU 3 -22.780 -22.386 -5.615 26 HG3 GLU 3 1HG GLU 3 -23.581 -23.932 -5.813 27 H GLU 4 H GLU 4 -20.547 -24.054 -9.499 28 HA GLU 4 HA GLU 4 -18.230 -24.541 -7.996 29 HB2 GLU 4 2HB GLU 4 -18.341 -24.842 -11.007 30 HB3 GLU 4 1HB GLU 4 -17.334 -25.732 -9.888 31 HG2 GLU 4 2HG GLU 4 -18.950 -27.276 -10.510 32 HG3 GLU 4 1HG GLU 4 -19.568 -26.659 -8.981 33 H ASP 5 H ASP 5 -18.770 -22.563 -10.814 34 HA ASP 5 HA ASP 5 -16.158 -21.625 -11.197 35 HB2 ASP 5 2HB ASP 5 -17.687 -21.503 -13.001 36 HB3 ASP 5 1HB ASP 5 -18.835 -20.560 -12.060 37 H GLU 6 H GLU 6 -18.784 -20.382 -9.250 38 HA GLU 6 HA GLU 6 -17.720 -17.891 -8.553 39 HB2 GLU 6 2HB GLU 6 -19.375 -19.790 -6.874 40 HB3 GLU 6 1HB GLU 6 -19.054 -18.119 -6.446 41 HG2 GLU 6 2HG GLU 6 -20.529 -19.024 -8.906 42 HG3 GLU 6 1HG GLU 6 -21.288 -18.490 -7.408 43 H LYS 7 H LYS 7 -17.358 -21.021 -6.960 44 HA LYS 7 HA LYS 7 -15.536 -19.923 -5.045 45 HB2 LYS 7 2HB LYS 7 -16.535 -22.719 -5.508 46 HB3 LYS 7 1HB LYS 7 -15.271 -22.380 -4.337 47 HG2 LYS 7 2HG LYS 7 -17.443 -22.537 -3.255 48 HG3 LYS 7 1HG LYS 7 -16.796 -20.903 -3.110 49 HD2 LYS 7 2HD LYS 7 -18.245 -20.204 -4.981 50 HD3 LYS 7 1HD LYS 7 -18.906 -21.835 -5.061 51 HE2 LYS 7 2HE LYS 7 -19.072 -20.002 -2.677 52 HE3 LYS 7 1HE LYS 7 -20.357 -20.248 -3.856 53 HZ1 LYS 7 1HZ LYS 7 -20.728 -21.609 -1.928 54 HZ2 LYS 7 2HZ LYS 7 -19.204 -22.300 -2.058 55 HZ3 LYS 7 3HZ LYS 7 -20.359 -22.584 -3.270 56 H GLU 8 H GLU 8 -15.158 -22.083 -7.811 57 HA GLU 8 HA GLU 8 -12.417 -22.569 -7.439 58 HB2 GLU 8 2HB GLU 8 -14.106 -22.665 -9.930 59 HB3 GLU 8 1HB GLU 8 -12.420 -23.159 -9.887 60 HG2 GLU 8 2HG GLU 8 -14.648 -24.379 -8.269 61 HG3 GLU 8 1HG GLU 8 -13.935 -25.066 -9.730 62 H SER 9 H SER 9 -14.039 -20.163 -9.521 63 HA SER 9 HA SER 9 -11.554 -19.216 -10.437 64 HB2 SER 9 2HB SER 9 -14.297 -18.030 -10.667 65 HB3 SER 9 1HB SER 9 -12.866 -17.447 -11.530 66 HG SER 9 HG SER 9 -14.503 -19.387 -12.270 67 H GLN 10 H GLN 10 -13.671 -18.185 -7.772 68 HA GLN 10 HA GLN 10 -12.104 -15.865 -7.379 69 HB2 GLN 10 2HB GLN 10 -13.994 -17.244 -5.490 70 HB3 GLN 10 1HB GLN 10 -13.077 -15.815 -5.037 71 HG2 GLN 10 2HG GLN 10 -14.116 -14.660 -7.014 72 HG3 GLN 10 1HG GLN 10 -15.179 -16.056 -7.166 73 HE21 GLN 10 1HE2 GLN 10 -16.987 -14.895 -6.731 74 HE22 GLN 10 2HE2 GLN 10 -17.380 -14.235 -5.195 75 H ARG 11 H ARG 11 -11.773 -19.182 -6.333 76 HA ARG 11 HA ARG 11 -9.657 -18.671 -4.539 77 HB2 ARG 11 2HB ARG 11 -10.666 -20.931 -4.667 78 HB3 ARG 11 1HB ARG 11 -10.027 -21.119 -6.295 79 HG2 ARG 11 2HG ARG 11 -7.721 -20.853 -5.367 80 HG3 ARG 11 1HG ARG 11 -8.415 -20.862 -3.750 81 HD2 ARG 11 2HD ARG 11 -8.675 -23.095 -5.764 82 HD3 ARG 11 1HD ARG 11 -7.496 -23.052 -4.464 83 HE ARG 11 HE ARG 11 -9.185 -23.304 -2.906 84 HH11 ARG 11 1HH1 ARG 11 -10.380 -23.510 -6.230 85 HH12 ARG 11 2HH1 ARG 11 -11.770 -24.405 -5.881 86 HH21 ARG 11 1HH2 ARG 11 -11.153 -24.578 -2.375 87 HH22 ARG 11 2HH2 ARG 11 -12.249 -24.994 -3.581 88 H ILE 12 H ILE 12 -9.673 -19.419 -8.010 89 HA ILE 12 HA ILE 12 -6.938 -19.254 -8.509 90 HB ILE 12 HB ILE 12 -9.158 -18.324 -10.368 91 HG12 ILE 12 2HG1 ILE 12 -7.798 -21.024 -10.187 92 HG13 ILE 12 1HG1 ILE 12 -9.402 -20.667 -9.557 93 HG21 ILE 12 1HG2 ILE 12 -6.931 -17.526 -11.095 94 HG22 ILE 12 2HG2 ILE 12 -7.554 -18.751 -12.195 95 HG23 ILE 12 3HG2 ILE 12 -6.320 -19.175 -11.015 96 HD11 ILE 12 1HD1 ILE 12 -9.520 -21.824 -11.683 97 HD12 ILE 12 2HD1 ILE 12 -8.559 -20.553 -12.442 98 HD13 ILE 12 3HD1 ILE 12 -10.173 -20.191 -11.831 99 H ALA 13 H ALA 13 -9.327 -16.666 -8.482 100 HA ALA 13 HA ALA 13 -7.663 -14.540 -9.185 101 HB1 ALA 13 1HB ALA 13 -10.107 -14.373 -9.121 102 HB2 ALA 13 2HB ALA 13 -9.353 -13.104 -8.151 103 HB3 ALA 13 3HB ALA 13 -10.068 -14.508 -7.363 104 H SER 14 H SER 14 -8.453 -15.870 -6.007 105 HA SER 14 HA SER 14 -6.934 -14.040 -4.502 106 HB2 SER 14 2HB SER 14 -8.837 -15.471 -3.659 107 HB3 SER 14 1HB SER 14 -7.759 -16.858 -3.755 108 HG SER 14 HG SER 14 -7.740 -14.669 -2.048 109 H LYS 15 H LYS 15 -6.256 -17.250 -5.835 110 HA LYS 15 HA LYS 15 -3.707 -17.805 -4.806 111 HB2 LYS 15 2HB LYS 15 -4.720 -18.371 -7.602 112 HB3 LYS 15 1HB LYS 15 -3.356 -19.155 -6.843 113 HG2 LYS 15 2HG LYS 15 -6.192 -19.342 -5.863 114 HG3 LYS 15 1HG LYS 15 -5.443 -20.503 -6.949 115 HD2 LYS 15 2HD LYS 15 -4.395 -19.826 -4.213 116 HD3 LYS 15 1HD LYS 15 -5.486 -21.170 -4.544 117 HE2 LYS 15 2HE LYS 15 -2.761 -20.794 -5.781 118 HE3 LYS 15 1HE LYS 15 -3.132 -21.860 -4.432 119 HZ1 LYS 15 1HZ LYS 15 -3.043 -23.039 -6.509 120 HZ2 LYS 15 2HZ LYS 15 -4.290 -22.120 -7.168 121 HZ3 LYS 15 3HZ LYS 15 -4.578 -23.149 -5.866 122 H ASN 16 H ASN 16 -4.737 -16.180 -7.705 123 HA ASN 16 HA ASN 16 -2.295 -15.551 -8.857 124 HB2 ASN 16 2HB ASN 16 -4.674 -15.380 -9.817 125 HB3 ASN 16 1HB ASN 16 -4.746 -13.809 -9.032 126 HD21 ASN 16 1HD2 ASN 16 -3.572 -15.617 -11.660 127 HD22 ASN 16 2HD2 ASN 16 -2.796 -14.323 -12.503 128 H GLN 17 H GLN 17 -4.356 -13.679 -6.635 129 HA GLN 17 HA GLN 17 -2.668 -11.392 -6.517 130 HB2 GLN 17 2HB GLN 17 -4.756 -12.354 -4.554 131 HB3 GLN 17 1HB GLN 17 -3.950 -10.802 -4.457 132 HG2 GLN 17 2HG GLN 17 -4.944 -10.144 -6.580 133 HG3 GLN 17 1HG GLN 17 -5.697 -11.738 -6.701 134 HE21 GLN 17 1HE2 GLN 17 -5.757 -8.659 -5.057 135 HE22 GLN 17 2HE2 GLN 17 -7.294 -8.892 -4.311 136 H LEU 18 H LEU 18 -3.069 -14.157 -4.342 137 HA LEU 18 HA LEU 18 -1.316 -13.336 -2.350 138 HB2 LEU 18 2HB LEU 18 -2.973 -15.199 -2.198 139 HB3 LEU 18 1HB LEU 18 -1.981 -16.158 -3.257 140 HG LEU 18 HG LEU 18 -1.931 -16.810 -0.835 141 HD11 LEU 18 1HD1 LEU 18 0.741 -15.999 -1.943 142 HD12 LEU 18 2HD1 LEU 18 -0.131 -17.487 -2.312 143 HD13 LEU 18 3HD1 LEU 18 0.453 -17.191 -0.671 144 HD21 LEU 18 1HD2 LEU 18 -2.022 -14.629 0.155 145 HD22 LEU 18 2HD2 LEU 18 -0.422 -14.239 -0.498 146 HD23 LEU 18 3HD2 LEU 18 -0.599 -15.501 0.717 147 H GLU 19 H GLU 19 -0.750 -15.261 -5.238 148 HA GLU 19 HA GLU 19 1.995 -15.732 -4.863 149 HB2 GLU 19 2HB GLU 19 0.559 -16.980 -6.429 150 HB3 GLU 19 1HB GLU 19 0.406 -15.540 -7.419 151 HG2 GLU 19 2HG GLU 19 2.910 -15.577 -7.657 152 HG3 GLU 19 1HG GLU 19 2.860 -17.177 -6.919 153 H SER 20 H SER 20 0.271 -13.337 -6.902 154 HA SER 20 HA SER 20 2.626 -12.246 -7.964 155 HB2 SER 20 2HB SER 20 0.391 -12.153 -9.075 156 HB3 SER 20 1HB SER 20 -0.119 -10.986 -7.861 157 HG SER 20 HG SER 20 1.877 -10.742 -9.824 158 H ILE 21 H ILE 21 0.561 -11.193 -5.262 159 HA ILE 21 HA ILE 21 1.938 -8.792 -4.947 160 HB ILE 21 HB ILE 21 0.114 -10.290 -3.107 161 HG12 ILE 21 2HG1 ILE 21 -0.186 -7.857 -4.865 162 HG13 ILE 21 1HG1 ILE 21 -0.870 -9.453 -5.150 163 HG21 ILE 21 1HG2 ILE 21 1.259 -7.499 -2.790 164 HG22 ILE 21 2HG2 ILE 21 1.651 -8.886 -1.773 165 HG23 ILE 21 3HG2 ILE 21 0.016 -8.213 -1.753 166 HD11 ILE 21 1HD1 ILE 21 -2.246 -9.197 -3.176 167 HD12 ILE 21 2HD1 ILE 21 -2.505 -7.887 -4.354 168 HD13 ILE 21 3HD1 ILE 21 -1.506 -7.612 -2.914 169 H ALA 22 H ALA 22 2.420 -12.031 -3.597 170 HA ALA 22 HA ALA 22 4.336 -11.312 -1.664 171 HB1 ALA 22 1HB ALA 22 4.101 -13.907 -3.203 172 HB2 ALA 22 2HB ALA 22 3.257 -13.526 -1.705 173 HB3 ALA 22 3HB ALA 22 5.014 -13.678 -1.713 174 H TYR 23 H TYR 23 4.660 -12.227 -5.086 175 HA TYR 23 HA TYR 23 7.483 -11.925 -5.130 176 HB2 TYR 23 2HB TYR 23 5.436 -11.957 -7.344 177 HB3 TYR 23 1HB TYR 23 7.149 -11.705 -7.655 178 HD1 TYR 23 1HD TYR 23 4.576 -14.126 -7.089 179 HD2 TYR 23 2HD TYR 23 8.758 -13.498 -6.922 180 HE1 TYR 23 1HE TYR 23 4.935 -16.559 -7.134 181 HE2 TYR 23 2HE TYR 23 9.136 -15.930 -6.965 182 HH TYR 23 HH TYR 23 7.970 -18.004 -6.495 183 H SER 24 H SER 24 4.825 -9.761 -5.895 184 HA SER 24 HA SER 24 6.293 -7.615 -6.888 185 HB2 SER 24 2HB SER 24 3.843 -7.801 -7.106 186 HB3 SER 24 1HB SER 24 3.670 -7.604 -5.367 187 HG SER 24 HG SER 24 4.025 -5.725 -7.320 188 H LEU 25 H LEU 25 5.414 -8.495 -3.571 189 HA LEU 25 HA LEU 25 6.365 -6.238 -2.243 190 HB2 LEU 25 2HB LEU 25 5.052 -7.986 -1.138 191 HB3 LEU 25 1HB LEU 25 6.374 -9.118 -1.345 192 HG LEU 25 HG LEU 25 7.772 -7.784 0.167 193 HD11 LEU 25 1HD1 LEU 25 5.305 -6.090 0.525 194 HD12 LEU 25 2HD1 LEU 25 6.819 -5.594 -0.237 195 HD13 LEU 25 3HD1 LEU 25 6.784 -5.979 1.480 196 HD21 LEU 25 1HD2 LEU 25 5.086 -8.501 1.328 197 HD22 LEU 25 2HD2 LEU 25 6.585 -8.303 2.237 198 HD23 LEU 25 3HD2 LEU 25 6.428 -9.613 1.066 199 H LYS 26 H LYS 26 8.025 -9.296 -2.966 200 HA LYS 26 HA LYS 26 10.508 -8.481 -1.941 201 HB2 LYS 26 2HB LYS 26 9.945 -10.525 -4.076 202 HB3 LYS 26 1HB LYS 26 11.490 -10.333 -3.258 203 HG2 LYS 26 2HG LYS 26 10.297 -10.820 -1.098 204 HG3 LYS 26 1HG LYS 26 8.876 -11.222 -2.063 205 HD2 LYS 26 2HD LYS 26 11.576 -12.538 -2.312 206 HD3 LYS 26 1HD LYS 26 10.206 -13.212 -1.431 207 HE2 LYS 26 2HE LYS 26 8.941 -13.394 -3.473 208 HE3 LYS 26 1HE LYS 26 10.196 -12.537 -4.369 209 HZ1 LYS 26 1HZ LYS 26 10.473 -15.221 -3.092 210 HZ2 LYS 26 2HZ LYS 26 11.709 -14.339 -3.796 211 HZ3 LYS 26 3HZ LYS 26 10.459 -14.879 -4.766 212 H ASN 27 H ASN 27 9.209 -8.345 -5.210 213 HA ASN 27 HA ASN 27 11.421 -7.303 -6.522 214 HB2 ASN 27 2HB ASN 27 8.474 -7.052 -7.026 215 HB3 ASN 27 1HB ASN 27 9.622 -6.213 -8.052 216 HD21 ASN 27 1HD2 ASN 27 8.956 -7.420 -9.826 217 HD22 ASN 27 2HD2 ASN 27 9.394 -9.077 -10.037 218 H THR 28 H THR 28 8.874 -5.595 -4.784 219 HA THR 28 HA THR 28 9.747 -2.985 -5.422 220 HB THR 28 HB THR 28 8.266 -3.802 -2.902 221 HG1 THR 28 1HG THR 28 7.223 -4.582 -4.841 222 HG21 THR 28 1HG2 THR 28 8.244 -1.229 -4.493 223 HG22 THR 28 2HG2 THR 28 9.065 -1.475 -2.955 224 HG23 THR 28 3HG2 THR 28 7.304 -1.550 -3.035 225 H ILE 29 H ILE 29 10.561 -5.198 -2.790 226 HA ILE 29 HA ILE 29 12.198 -3.315 -1.376 227 HB ILE 29 HB ILE 29 12.366 -6.349 -1.175 228 HG12 ILE 29 2HG1 ILE 29 10.033 -5.641 -0.819 229 HG13 ILE 29 1HG1 ILE 29 10.766 -6.216 0.670 230 HG21 ILE 29 1HG2 ILE 29 14.205 -5.157 -0.144 231 HG22 ILE 29 2HG2 ILE 29 13.178 -5.930 1.070 232 HG23 ILE 29 3HG2 ILE 29 13.065 -4.191 0.796 233 HD11 ILE 29 1HD1 ILE 29 11.077 -3.890 1.388 234 HD12 ILE 29 2HD1 ILE 29 9.385 -4.278 1.075 235 HD13 ILE 29 3HD1 ILE 29 10.304 -3.343 -0.101 236 H SER 30 H SER 30 12.674 -5.670 -3.882 237 HA SER 30 HA SER 30 15.468 -5.810 -3.836 238 HB2 SER 30 2HB SER 30 13.988 -7.469 -4.939 239 HB3 SER 30 1HB SER 30 13.581 -6.270 -6.157 240 HG SER 30 HG SER 30 16.189 -6.341 -6.108 241 H GLU 31 H GLU 31 13.238 -3.627 -5.583 242 HA GLU 31 HA GLU 31 15.438 -2.385 -6.943 243 HB2 GLU 31 2HB GLU 31 13.838 -0.888 -7.926 244 HB3 GLU 31 1HB GLU 31 13.100 -2.476 -7.885 245 HG2 GLU 31 2HG GLU 31 11.320 -1.398 -7.075 246 HG3 GLU 31 1HG GLU 31 12.204 -1.372 -5.550 247 H ALA 32 H ALA 32 13.781 -1.989 -3.978 248 HA ALA 32 HA ALA 32 14.677 0.577 -3.312 249 HB1 ALA 32 1HB ALA 32 12.879 -0.532 -2.057 250 HB2 ALA 32 2HB ALA 32 14.184 -0.031 -0.983 251 HB3 ALA 32 3HB ALA 32 14.031 -1.725 -1.458 252 H GLY 33 H GLY 33 15.917 -2.636 -2.585 253 HA2 GLY 33 2HA GLY 33 17.993 -3.453 -2.182 254 HA3 GLY 33 1HA GLY 33 18.524 -2.237 -3.321 255 H ASP 34 H ASP 34 19.380 -0.335 -2.553 256 HA ASP 34 HA ASP 34 20.807 -0.664 -0.033 257 HB2 ASP 34 2HB ASP 34 22.171 -0.088 -1.904 258 HB3 ASP 34 1HB ASP 34 21.099 1.225 -2.365 259 H LYS 35 H LYS 35 18.148 1.019 -1.236 260 HA LYS 35 HA LYS 35 18.284 3.327 0.497 261 HB2 LYS 35 2HB LYS 35 15.987 2.252 -1.128 262 HB3 LYS 35 1HB LYS 35 16.109 3.876 -0.461 263 HG2 LYS 35 2HG LYS 35 17.996 4.365 -1.906 264 HG3 LYS 35 1HG LYS 35 17.976 2.718 -2.520 265 HD2 LYS 35 2HD LYS 35 15.782 4.775 -2.902 266 HD3 LYS 35 1HD LYS 35 16.990 4.239 -4.086 267 HE2 LYS 35 2HE LYS 35 16.085 1.991 -4.035 268 HE3 LYS 35 1HE LYS 35 14.919 2.479 -2.808 269 HZ1 LYS 35 1HZ LYS 35 13.915 2.377 -5.012 270 HZ2 LYS 35 2HZ LYS 35 15.026 3.502 -5.593 271 HZ3 LYS 35 3HZ LYS 35 13.901 3.961 -4.430 272 H LEU 36 H LEU 36 17.329 0.120 0.844 273 HA LEU 36 HA LEU 36 15.759 0.769 3.224 274 HB2 LEU 36 2HB LEU 36 14.408 -0.044 1.253 275 HB3 LEU 36 1HB LEU 36 15.301 -1.544 1.321 276 HG LEU 36 HG LEU 36 13.710 -0.656 3.711 277 HD11 LEU 36 1HD1 LEU 36 11.791 -1.868 2.780 278 HD12 LEU 36 2HD1 LEU 36 12.669 -2.074 1.258 279 HD13 LEU 36 3HD1 LEU 36 12.215 -0.461 1.808 280 HD21 LEU 36 1HD2 LEU 36 14.398 -3.328 2.510 281 HD22 LEU 36 2HD2 LEU 36 13.478 -3.067 3.993 282 HD23 LEU 36 3HD2 LEU 36 15.175 -2.575 3.904 283 H GLU 37 H GLU 37 16.073 -0.708 4.983 284 HA GLU 37 HA GLU 37 18.834 -1.478 5.151 285 HB2 GLU 37 2HB GLU 37 16.625 -1.601 7.184 286 HB3 GLU 37 1HB GLU 37 18.341 -1.809 7.511 287 HG2 GLU 37 2HG GLU 37 18.785 0.441 6.793 288 HG3 GLU 37 1HG GLU 37 17.094 0.669 6.376 289 H GLN 38 H GLN 38 19.621 -3.478 5.851 290 HA GLN 38 HA GLN 38 18.637 -5.679 4.430 291 HB2 GLN 38 2HB GLN 38 20.982 -5.488 4.874 292 HB3 GLN 38 1HB GLN 38 20.719 -5.468 6.604 293 HG2 GLN 38 2HG GLN 38 21.661 -7.592 5.875 294 HG3 GLN 38 1HG GLN 38 20.051 -7.814 6.549 295 HE21 GLN 38 1HE2 GLN 38 18.416 -8.544 5.209 296 HE22 GLN 38 2HE2 GLN 38 18.724 -9.196 3.637 297 H ALA 39 H ALA 39 18.432 -4.912 7.874 298 HA ALA 39 HA ALA 39 17.245 -7.347 8.619 299 HB1 ALA 39 1HB ALA 39 18.251 -5.803 10.245 300 HB2 ALA 39 2HB ALA 39 16.602 -6.243 10.693 301 HB3 ALA 39 3HB ALA 39 16.931 -4.670 9.968 302 H ASP 40 H ASP 40 15.778 -4.284 7.619 303 HA ASP 40 HA ASP 40 13.081 -5.157 7.961 304 HB2 ASP 40 2HB ASP 40 14.133 -3.084 6.012 305 HB3 ASP 40 1HB ASP 40 12.451 -3.297 6.474 306 H LYS 41 H LYS 41 15.286 -5.044 5.250 307 HA LYS 41 HA LYS 41 13.716 -5.993 3.182 308 HB2 LYS 41 2HB LYS 41 15.933 -5.084 2.864 309 HB3 LYS 41 1HB LYS 41 16.650 -6.442 3.708 310 HG2 LYS 41 2HG LYS 41 15.880 -7.951 1.901 311 HG3 LYS 41 1HG LYS 41 15.227 -6.567 1.038 312 HD2 LYS 41 2HD LYS 41 18.135 -6.957 1.787 313 HD3 LYS 41 1HD LYS 41 17.447 -7.209 0.185 314 HE2 LYS 41 2HE LYS 41 16.856 -4.851 0.039 315 HE3 LYS 41 1HE LYS 41 17.433 -4.579 1.678 316 HZ1 LYS 41 1HZ LYS 41 19.115 -5.376 -0.645 317 HZ2 LYS 41 2HZ LYS 41 19.667 -5.176 0.933 318 HZ3 LYS 41 3HZ LYS 41 19.061 -3.869 0.098 319 H ASP 42 H ASP 42 15.666 -7.820 5.502 320 HA ASP 42 HA ASP 42 15.099 -10.323 4.313 321 HB2 ASP 42 2HB ASP 42 17.049 -9.877 5.804 322 HB3 ASP 42 1HB ASP 42 15.931 -9.821 7.166 323 H THR 43 H THR 43 13.655 -8.483 6.936 324 HA THR 43 HA THR 43 11.931 -10.427 7.923 325 HB THR 43 HB THR 43 11.437 -7.434 7.755 326 HG1 THR 43 1HG THR 43 13.395 -7.916 8.863 327 HG21 THR 43 1HG2 THR 43 10.298 -9.519 9.637 328 HG22 THR 43 2HG2 THR 43 9.411 -8.723 8.337 329 HG23 THR 43 3HG2 THR 43 9.982 -7.785 9.713 330 H VAL 44 H VAL 44 11.350 -7.988 5.399 331 HA VAL 44 HA VAL 44 8.723 -8.934 4.879 332 HB VAL 44 HB VAL 44 8.949 -7.600 2.721 333 HG11 VAL 44 1HG1 VAL 44 8.588 -5.469 3.990 334 HG12 VAL 44 2HG1 VAL 44 9.239 -6.266 5.425 335 HG13 VAL 44 3HG1 VAL 44 7.722 -6.827 4.712 336 HG21 VAL 44 1HG2 VAL 44 11.345 -7.404 2.614 337 HG22 VAL 44 2HG2 VAL 44 11.378 -6.581 4.172 338 HG23 VAL 44 3HG2 VAL 44 10.636 -5.797 2.783 339 H THR 45 H THR 45 11.705 -9.306 3.009 340 HA THR 45 HA THR 45 10.439 -10.708 0.972 341 HB THR 45 HB THR 45 12.611 -11.423 0.256 342 HG1 THR 45 1HG THR 45 13.727 -9.853 2.381 343 HG21 THR 45 1HG2 THR 45 12.436 -8.495 0.979 344 HG22 THR 45 2HG2 THR 45 11.788 -9.262 -0.472 345 HG23 THR 45 3HG2 THR 45 13.532 -9.158 -0.233 346 H LYS 46 H LYS 46 12.148 -11.944 3.850 347 HA LYS 46 HA LYS 46 11.894 -14.630 3.013 348 HB2 LYS 46 2HB LYS 46 13.528 -14.007 4.736 349 HB3 LYS 46 1HB LYS 46 12.228 -13.575 5.835 350 HG2 LYS 46 2HG LYS 46 11.445 -15.924 5.772 351 HG3 LYS 46 1HG LYS 46 12.830 -16.330 4.761 352 HD2 LYS 46 2HD LYS 46 14.333 -15.600 6.559 353 HD3 LYS 46 1HD LYS 46 12.935 -15.224 7.562 354 HE2 LYS 46 2HE LYS 46 13.671 -17.953 6.496 355 HE3 LYS 46 1HE LYS 46 13.880 -17.401 8.154 356 HZ1 LYS 46 1HZ LYS 46 11.267 -17.866 6.753 357 HZ2 LYS 46 2HZ LYS 46 11.408 -17.093 8.221 358 HZ3 LYS 46 3HZ LYS 46 11.899 -18.681 8.080 359 H LYS 47 H LYS 47 9.825 -12.474 4.867 360 HA LYS 47 HA LYS 47 7.961 -14.458 5.606 361 HB2 LYS 47 2HB LYS 47 8.175 -12.058 6.558 362 HB3 LYS 47 1HB LYS 47 7.304 -11.529 5.131 363 HG2 LYS 47 2HG LYS 47 6.190 -13.527 7.096 364 HG3 LYS 47 1HG LYS 47 5.938 -11.789 7.228 365 HD2 LYS 47 2HD LYS 47 4.778 -11.741 5.150 366 HD3 LYS 47 1HD LYS 47 5.212 -13.414 4.807 367 HE2 LYS 47 2HE LYS 47 2.911 -13.270 5.509 368 HE3 LYS 47 1HE LYS 47 3.873 -14.125 6.717 369 HZ1 LYS 47 1HZ LYS 47 3.842 -12.217 8.112 370 HZ2 LYS 47 2HZ LYS 47 2.257 -12.545 7.565 371 HZ3 LYS 47 3HZ LYS 47 3.094 -11.270 6.908 372 H ALA 48 H ALA 48 8.400 -12.500 2.739 373 HA ALA 48 HA ALA 48 6.027 -13.246 1.395 374 HB1 ALA 48 1HB ALA 48 7.212 -12.510 -0.648 375 HB2 ALA 48 2HB ALA 48 8.724 -12.433 0.266 376 HB3 ALA 48 3HB ALA 48 7.406 -11.348 0.663 377 H GLU 49 H GLU 49 9.231 -14.681 1.595 378 HA GLU 49 HA GLU 49 8.748 -16.800 -0.205 379 HB2 GLU 49 2HB GLU 49 10.668 -16.686 2.126 380 HB3 GLU 49 1HB GLU 49 10.725 -17.857 0.818 381 HG2 GLU 49 2HG GLU 49 10.994 -14.890 0.410 382 HG3 GLU 49 1HG GLU 49 12.360 -15.959 0.671 383 H GLU 50 H GLU 50 8.179 -16.403 3.267 384 HA GLU 50 HA GLU 50 7.438 -19.061 3.941 385 HB2 GLU 50 2HB GLU 50 6.192 -16.510 5.033 386 HB3 GLU 50 1HB GLU 50 6.211 -18.076 5.813 387 HG2 GLU 50 2HG GLU 50 8.670 -16.415 5.301 388 HG3 GLU 50 1HG GLU 50 7.733 -16.348 6.786 389 H THR 51 H THR 51 5.798 -16.294 2.670 390 HA THR 51 HA THR 51 3.205 -17.217 2.653 391 HB THR 51 HB THR 51 4.534 -15.197 0.922 392 HG1 THR 51 1HG THR 51 4.685 -14.652 3.107 393 HG21 THR 51 1HG2 THR 51 2.370 -15.796 -0.027 394 HG22 THR 51 2HG2 THR 51 2.302 -14.167 0.641 395 HG23 THR 51 3HG2 THR 51 1.590 -15.513 1.530 396 H ILE 52 H ILE 52 5.635 -17.104 0.088 397 HA ILE 52 HA ILE 52 4.078 -18.341 -1.923 398 HB ILE 52 HB ILE 52 7.103 -18.151 -1.682 399 HG12 ILE 52 2HG1 ILE 52 5.160 -16.436 -3.246 400 HG13 ILE 52 1HG1 ILE 52 5.892 -15.985 -1.710 401 HG21 ILE 52 1HG2 ILE 52 5.401 -18.773 -4.112 402 HG22 ILE 52 2HG2 ILE 52 6.434 -19.913 -3.253 403 HG23 ILE 52 3HG2 ILE 52 7.154 -18.547 -4.112 404 HD11 ILE 52 1HD1 ILE 52 7.004 -14.918 -3.592 405 HD12 ILE 52 2HD1 ILE 52 7.373 -16.498 -4.282 406 HD13 ILE 52 3HD1 ILE 52 8.095 -16.016 -2.747 407 H SER 53 H SER 53 6.312 -19.605 0.494 408 HA SER 53 HA SER 53 6.266 -22.282 -0.358 409 HB2 SER 53 2HB SER 53 6.588 -21.223 2.466 410 HB3 SER 53 1HB SER 53 7.047 -22.833 1.904 411 HG SER 53 HG SER 53 8.121 -20.331 1.179 412 H TRP 54 H TRP 54 4.143 -20.431 1.803 413 HA TRP 54 HA TRP 54 2.486 -22.525 2.636 414 HB2 TRP 54 2HB TRP 54 2.428 -20.063 3.509 415 HB3 TRP 54 1HB TRP 54 1.468 -19.682 2.113 416 HD1 TRP 54 HD TRP 54 1.252 -21.414 5.452 417 HE1 TRP 54 1HE TRP 54 -1.180 -22.088 5.922 418 HE3 TRP 54 3HE TRP 54 -0.789 -20.391 0.884 419 HZ2 TRP 54 2HZ TRP 54 -3.639 -22.179 4.548 420 HZ3 TRP 54 3HZ TRP 54 -3.181 -20.806 0.557 421 HH2 TRP 54 HH TRP 54 -4.566 -21.676 2.348 422 H LEU 55 H LEU 55 2.337 -20.390 -0.096 423 HA LEU 55 HA LEU 55 -0.041 -21.259 -1.299 424 HB2 LEU 55 2HB LEU 55 1.001 -19.191 -1.885 425 HB3 LEU 55 1HB LEU 55 2.470 -20.002 -2.355 426 HG LEU 55 HG LEU 55 1.238 -21.001 -4.276 427 HD11 LEU 55 1HD1 LEU 55 -0.860 -19.946 -4.963 428 HD12 LEU 55 2HD1 LEU 55 -0.953 -19.135 -3.396 429 HD13 LEU 55 3HD1 LEU 55 -1.003 -20.900 -3.496 430 HD21 LEU 55 1HD2 LEU 55 1.244 -18.952 -5.599 431 HD22 LEU 55 2HD2 LEU 55 2.654 -19.055 -4.545 432 HD23 LEU 55 3HD2 LEU 55 1.310 -17.998 -4.118 433 H ASP 56 H ASP 56 3.263 -22.401 -1.650 434 HA ASP 56 HA ASP 56 2.563 -24.083 -3.842 435 HB2 ASP 56 2HB ASP 56 4.775 -22.955 -3.611 436 HB3 ASP 56 1HB ASP 56 5.128 -24.009 -2.254 437 H SER 57 H SER 57 2.628 -24.410 -0.441 438 HA SER 57 HA SER 57 2.554 -27.295 -0.635 439 HB2 SER 57 2HB SER 57 2.381 -25.528 1.817 440 HB3 SER 57 1HB SER 57 2.558 -27.282 1.816 441 HG SER 57 HG SER 57 4.392 -25.938 0.292 442 H ASN 58 H ASN 58 0.383 -24.562 0.024 443 HA ASN 58 HA ASN 58 -1.777 -26.453 0.561 444 HB2 ASN 58 2HB ASN 58 -1.245 -23.703 1.684 445 HB3 ASN 58 1HB ASN 58 -2.799 -24.510 1.856 446 HD21 ASN 58 1HD2 ASN 58 -0.651 -23.729 3.813 447 HD22 ASN 58 2HD2 ASN 58 -0.316 -25.183 4.674 448 H THR 59 H THR 59 -1.060 -25.750 -1.958 449 HA THR 59 HA THR 59 -2.222 -23.525 -3.107 450 HB THR 59 HB THR 59 -0.491 -24.797 -4.230 451 HG1 THR 59 1HG THR 59 -1.215 -24.149 -6.045 452 HG21 THR 59 1HG2 THR 59 -2.566 -26.962 -4.601 453 HG22 THR 59 2HG2 THR 59 -1.126 -27.064 -3.586 454 HG23 THR 59 3HG2 THR 59 -0.963 -26.949 -5.337 455 H THR 60 H THR 60 -3.876 -26.506 -2.191 456 HA THR 60 HA THR 60 -6.092 -25.603 -3.837 457 HB THR 60 HB THR 60 -5.289 -27.867 -4.410 458 HG1 THR 60 1HG THR 60 -7.876 -27.777 -3.256 459 HG21 THR 60 1HG2 THR 60 -4.532 -28.564 -2.274 460 HG22 THR 60 2HG2 THR 60 -5.763 -29.723 -2.840 461 HG23 THR 60 3HG2 THR 60 -6.168 -28.479 -1.633 462 H ALA 61 H ALA 61 -5.295 -24.689 -1.114 463 HA ALA 61 HA ALA 61 -7.456 -25.464 0.618 464 HB1 ALA 61 1HB ALA 61 -5.299 -24.694 1.538 465 HB2 ALA 61 2HB ALA 61 -6.626 -23.680 2.102 466 HB3 ALA 61 3HB ALA 61 -5.563 -23.108 0.819 467 H SER 62 H SER 62 -8.823 -23.483 1.571 468 HA SER 62 HA SER 62 -10.290 -22.507 -0.677 469 HB2 SER 62 2HB SER 62 -11.390 -23.323 1.434 470 HB3 SER 62 1HB SER 62 -10.758 -21.900 2.258 471 HG SER 62 HG SER 62 -12.498 -20.963 1.586 472 H LYS 63 H LYS 63 -10.855 -20.280 -0.983 473 HA LYS 63 HA LYS 63 -8.585 -18.730 -1.467 474 HB2 LYS 63 2HB LYS 63 -10.125 -17.047 -2.297 475 HB3 LYS 63 1HB LYS 63 -10.636 -18.663 -2.789 476 HG2 LYS 63 2HG LYS 63 -12.191 -18.635 -0.831 477 HG3 LYS 63 1HG LYS 63 -11.813 -16.924 -0.670 478 HD2 LYS 63 2HD LYS 63 -12.613 -16.561 -2.959 479 HD3 LYS 63 1HD LYS 63 -13.047 -18.273 -3.067 480 HE2 LYS 63 2HE LYS 63 -14.181 -16.213 -1.180 481 HE3 LYS 63 1HE LYS 63 -15.011 -17.034 -2.503 482 HZ1 LYS 63 1HZ LYS 63 -13.985 -18.343 -0.024 483 HZ2 LYS 63 2HZ LYS 63 -14.805 -19.131 -1.268 484 HZ3 LYS 63 3HZ LYS 63 -15.585 -17.965 -0.351 485 H GLU 64 H GLU 64 -10.814 -18.639 1.238 486 HA GLU 64 HA GLU 64 -10.247 -16.144 2.328 487 HB2 GLU 64 2HB GLU 64 -10.693 -18.664 3.956 488 HB3 GLU 64 1HB GLU 64 -10.872 -17.021 4.535 489 HG2 GLU 64 2HG GLU 64 -13.049 -17.826 4.227 490 HG3 GLU 64 1HG GLU 64 -12.746 -16.795 2.829 491 H GLU 65 H GLU 65 -8.440 -19.127 2.601 492 HA GLU 65 HA GLU 65 -6.637 -18.253 4.629 493 HB2 GLU 65 2HB GLU 65 -6.260 -20.354 2.501 494 HB3 GLU 65 1HB GLU 65 -5.330 -20.206 3.979 495 HG2 GLU 65 2HG GLU 65 -8.276 -20.776 3.910 496 HG3 GLU 65 1HG GLU 65 -7.038 -22.025 3.937 497 H PHE 66 H PHE 66 -6.656 -18.116 1.162 498 HA PHE 66 HA PHE 66 -3.941 -17.307 0.961 499 HB2 PHE 66 2HB PHE 66 -6.192 -17.162 -1.059 500 HB3 PHE 66 1HB PHE 66 -4.512 -16.770 -1.407 501 HD1 PHE 66 1HD PHE 66 -6.903 -19.447 -0.765 502 HD2 PHE 66 2HD PHE 66 -2.823 -18.517 -1.510 503 HE1 PHE 66 1HE PHE 66 -6.462 -21.797 -1.247 504 HE2 PHE 66 2HE PHE 66 -2.379 -20.881 -1.990 505 HZ PHE 66 HZ PHE 66 -4.200 -22.524 -1.859 506 H ASP 67 H ASP 67 -7.066 -15.665 0.863 507 HA ASP 67 HA ASP 67 -5.900 -13.113 0.436 508 HB2 ASP 67 2HB ASP 67 -8.275 -13.692 -0.140 509 HB3 ASP 67 1HB ASP 67 -8.640 -13.650 1.580 510 H ASP 68 H ASP 68 -6.920 -14.858 3.398 511 HA ASP 68 HA ASP 68 -6.694 -12.593 5.071 512 HB2 ASP 68 2HB ASP 68 -7.958 -14.546 5.803 513 HB3 ASP 68 1HB ASP 68 -6.477 -15.508 5.795 514 H LYS 69 H LYS 69 -4.393 -15.222 4.354 515 HA LYS 69 HA LYS 69 -2.500 -14.019 6.004 516 HB2 LYS 69 2HB LYS 69 -2.479 -16.352 5.768 517 HB3 LYS 69 1HB LYS 69 -2.378 -16.240 4.020 518 HG2 LYS 69 2HG LYS 69 -0.176 -15.072 5.609 519 HG3 LYS 69 1HG LYS 69 -0.304 -16.831 5.552 520 HD2 LYS 69 2HD LYS 69 -0.458 -15.143 3.127 521 HD3 LYS 69 1HD LYS 69 1.111 -15.660 3.764 522 HE2 LYS 69 2HE LYS 69 0.372 -17.218 2.000 523 HE3 LYS 69 1HE LYS 69 0.394 -17.999 3.579 524 HZ1 LYS 69 1HZ LYS 69 -1.985 -17.899 3.680 525 HZ2 LYS 69 2HZ LYS 69 -1.572 -18.589 2.217 526 HZ3 LYS 69 3HZ LYS 69 -2.089 -16.974 2.274 527 H LEU 70 H LEU 70 -3.376 -13.503 2.678 528 HA LEU 70 HA LEU 70 -1.035 -12.075 2.014 529 HB2 LEU 70 2HB LEU 70 -2.856 -12.877 0.391 530 HB3 LEU 70 1HB LEU 70 -3.826 -11.549 0.954 531 HG LEU 70 HG LEU 70 -2.692 -11.210 -1.282 532 HD11 LEU 70 1HD1 LEU 70 -2.054 -8.899 -0.906 533 HD12 LEU 70 2HD1 LEU 70 -1.986 -9.194 0.830 534 HD13 LEU 70 3HD1 LEU 70 -3.528 -9.292 -0.014 535 HD21 LEU 70 1HD2 LEU 70 -0.229 -11.026 0.440 536 HD22 LEU 70 2HD2 LEU 70 -0.332 -10.536 -1.238 537 HD23 LEU 70 3HD2 LEU 70 -0.550 -12.230 -0.808 538 H LYS 71 H LYS 71 -4.078 -11.170 3.565 539 HA LYS 71 HA LYS 71 -3.618 -8.408 3.721 540 HB2 LYS 71 2HB LYS 71 -5.248 -10.218 5.502 541 HB3 LYS 71 1HB LYS 71 -5.215 -8.476 5.684 542 HG2 LYS 71 2HG LYS 71 -6.167 -9.969 3.233 543 HG3 LYS 71 1HG LYS 71 -7.201 -9.237 4.458 544 HD2 LYS 71 2HD LYS 71 -6.140 -7.030 3.918 545 HD3 LYS 71 1HD LYS 71 -5.299 -7.816 2.588 546 HE2 LYS 71 2HE LYS 71 -8.299 -7.642 2.905 547 HE3 LYS 71 1HE LYS 71 -7.329 -6.630 1.845 548 HZ1 LYS 71 1HZ LYS 71 -7.738 -9.580 1.605 549 HZ2 LYS 71 2HZ LYS 71 -6.690 -8.681 0.630 550 HZ3 LYS 71 3HZ LYS 71 -8.338 -8.378 0.611 551 H GLU 72 H GLU 72 -2.778 -10.979 6.024 552 HA GLU 72 HA GLU 72 -1.477 -9.065 7.673 553 HB2 GLU 72 2HB GLU 72 -0.667 -11.034 9.039 554 HB3 GLU 72 1HB GLU 72 -2.406 -10.919 8.860 555 HG2 GLU 72 2HG GLU 72 -2.249 -13.118 8.404 556 HG3 GLU 72 1HG GLU 72 -1.787 -12.501 6.810 557 H LEU 73 H LEU 73 -0.462 -10.971 5.018 558 HA LEU 73 HA LEU 73 2.317 -10.694 5.185 559 HB2 LEU 73 2HB LEU 73 1.225 -12.106 3.490 560 HB3 LEU 73 1HB LEU 73 0.440 -10.723 2.796 561 HG LEU 73 HG LEU 73 2.265 -11.779 1.420 562 HD11 LEU 73 1HD1 LEU 73 3.260 -9.714 0.637 563 HD12 LEU 73 2HD1 LEU 73 2.658 -8.886 2.076 564 HD13 LEU 73 3HD1 LEU 73 1.522 -9.552 0.905 565 HD21 LEU 73 1HD2 LEU 73 4.075 -10.523 3.463 566 HD22 LEU 73 2HD2 LEU 73 4.584 -11.232 1.930 567 HD23 LEU 73 3HD2 LEU 73 3.863 -12.252 3.177 568 H GLN 74 H GLN 74 -0.108 -8.536 3.743 569 HA GLN 74 HA GLN 74 1.707 -6.430 3.206 570 HB2 GLN 74 2HB GLN 74 -1.276 -6.422 3.539 571 HB3 GLN 74 1HB GLN 74 -0.366 -4.965 3.194 572 HG2 GLN 74 2HG GLN 74 -0.443 -7.438 1.461 573 HG3 GLN 74 1HG GLN 74 -1.337 -5.950 1.161 574 HE21 GLN 74 1HE2 GLN 74 1.768 -7.467 1.093 575 HE22 GLN 74 2HE2 GLN 74 2.581 -6.218 0.217 576 H ASP 75 H ASP 75 -0.282 -7.201 5.964 577 HA ASP 75 HA ASP 75 -0.002 -4.831 7.412 578 HB2 ASP 75 2HB ASP 75 -1.575 -6.629 8.020 579 HB3 ASP 75 1HB ASP 75 -0.211 -7.629 8.505 580 H ILE 76 H ILE 76 2.080 -7.667 7.353 581 HA ILE 76 HA ILE 76 3.913 -6.715 9.325 582 HB ILE 76 HB ILE 76 4.272 -8.835 7.179 583 HG12 ILE 76 2HG1 ILE 76 2.558 -9.387 8.839 584 HG13 ILE 76 1HG1 ILE 76 3.950 -10.446 9.001 585 HG21 ILE 76 1HG2 ILE 76 6.467 -8.016 7.809 586 HG22 ILE 76 2HG2 ILE 76 6.216 -9.644 8.442 587 HG23 ILE 76 3HG2 ILE 76 6.089 -8.255 9.517 588 HD11 ILE 76 1HD1 ILE 76 4.702 -9.112 10.929 589 HD12 ILE 76 2HD1 ILE 76 3.101 -9.809 11.161 590 HD13 ILE 76 3HD1 ILE 76 3.262 -8.101 10.769 591 H ALA 77 H ALA 77 3.767 -6.463 5.835 592 HA ALA 77 HA ALA 77 6.394 -5.289 5.599 593 HB1 ALA 77 1HB ALA 77 5.846 -5.071 3.244 594 HB2 ALA 77 2HB ALA 77 4.171 -5.511 3.583 595 HB3 ALA 77 3HB ALA 77 5.459 -6.689 3.833 596 H ASN 78 H ASN 78 3.305 -4.172 6.264 597 HA ASN 78 HA ASN 78 3.191 -1.748 4.966 598 HB2 ASN 78 2HB ASN 78 1.269 -2.916 5.976 599 HB3 ASN 78 1HB ASN 78 1.853 -2.473 7.569 600 HD21 ASN 78 1HD2 ASN 78 -0.148 -1.509 7.857 601 HD22 ASN 78 2HD2 ASN 78 -0.511 0.054 7.237 602 HA PRO 79 HA PRO 79 5.042 0.585 8.867 603 HB2 PRO 79 2HB PRO 79 6.876 -0.956 10.268 604 HB3 PRO 79 1HB PRO 79 5.226 -0.639 10.808 605 HG2 PRO 79 2HG PRO 79 6.329 -3.024 9.388 606 HG3 PRO 79 1HG PRO 79 5.176 -2.956 10.731 607 HD2 PRO 79 2HD PRO 79 4.352 -3.398 8.233 608 HD3 PRO 79 1HD PRO 79 3.403 -2.378 9.334 609 H ILE 80 H ILE 80 6.784 -1.999 7.270 610 HA ILE 80 HA ILE 80 9.241 -0.570 7.006 611 HB ILE 80 HB ILE 80 8.217 -3.117 5.703 612 HG12 ILE 80 2HG1 ILE 80 10.191 -2.686 7.954 613 HG13 ILE 80 1HG1 ILE 80 8.498 -3.091 8.177 614 HG21 ILE 80 1HG2 ILE 80 10.568 -3.564 5.086 615 HG22 ILE 80 2HG2 ILE 80 11.010 -1.953 5.667 616 HG23 ILE 80 3HG2 ILE 80 9.942 -2.124 4.279 617 HD11 ILE 80 1HD1 ILE 80 10.536 -4.804 6.772 618 HD12 ILE 80 2HD1 ILE 80 8.841 -5.207 7.101 619 HD13 ILE 80 3HD1 ILE 80 9.974 -5.012 8.435 620 H MET 81 H MET 81 6.323 -0.819 5.183 621 HA MET 81 HA MET 81 7.359 0.356 2.817 622 HB2 MET 81 2HB MET 81 4.553 -0.073 3.794 623 HB3 MET 81 1HB MET 81 4.877 0.846 2.323 624 HG2 MET 81 2HG MET 81 5.831 -1.951 2.843 625 HG3 MET 81 1HG MET 81 4.406 -1.528 1.892 626 HE1 MET 81 1HE MET 81 7.524 -2.929 1.316 627 HE2 MET 81 2HE MET 81 7.585 -2.642 -0.424 628 HE3 MET 81 3HE MET 81 6.108 -3.283 0.317 629 H SER 82 H SER 82 6.088 1.653 5.791 630 HA SER 82 HA SER 82 5.817 4.328 5.003 631 HB2 SER 82 2HB SER 82 6.870 3.306 7.654 632 HB3 SER 82 1HB SER 82 6.049 4.834 7.353 633 HG SER 82 HG SER 82 4.742 3.292 8.290 634 H LYS 83 H LYS 83 8.566 2.327 5.936 635 HA LYS 83 HA LYS 83 10.472 4.371 5.978 636 HB2 LYS 83 2HB LYS 83 10.759 2.403 7.300 637 HB3 LYS 83 1HB LYS 83 10.625 1.370 5.888 638 HG2 LYS 83 2HG LYS 83 12.687 2.225 5.029 639 HG3 LYS 83 1HG LYS 83 12.825 3.334 6.401 640 HD2 LYS 83 2HD LYS 83 12.683 0.340 6.640 641 HD3 LYS 83 1HD LYS 83 14.215 1.234 6.625 642 HE2 LYS 83 2HE LYS 83 13.343 2.496 8.627 643 HE3 LYS 83 1HE LYS 83 11.977 1.385 8.654 644 HZ1 LYS 83 1HZ LYS 83 14.839 0.687 8.993 645 HZ2 LYS 83 2HZ LYS 83 13.628 -0.449 8.877 646 HZ3 LYS 83 3HZ LYS 83 13.649 0.613 10.189 647 H LEU 84 H LEU 84 9.631 1.777 3.588 648 HA LEU 84 HA LEU 84 11.592 2.424 1.739 649 HB2 LEU 84 2HB LEU 84 10.249 0.332 1.763 650 HB3 LEU 84 1HB LEU 84 8.854 1.242 1.244 651 HG LEU 84 HG LEU 84 11.313 1.141 -0.503 652 HD11 LEU 84 1HD1 LEU 84 10.723 -1.171 0.097 653 HD12 LEU 84 2HD1 LEU 84 10.428 -0.811 -1.597 654 HD13 LEU 84 3HD1 LEU 84 9.073 -0.880 -0.462 655 HD21 LEU 84 1HD2 LEU 84 8.354 1.380 -1.099 656 HD22 LEU 84 2HD2 LEU 84 9.653 1.404 -2.292 657 HD23 LEU 84 3HD2 LEU 84 9.518 2.707 -1.112 658 H TYR 85 H TYR 85 8.312 3.695 2.076 659 HA TYR 85 HA TYR 85 8.608 5.224 -0.286 660 HB2 TYR 85 2HB TYR 85 6.389 5.045 1.714 661 HB3 TYR 85 1HB TYR 85 6.376 6.268 0.446 662 HD1 TYR 85 1HD TYR 85 6.091 5.653 -1.877 663 HD2 TYR 85 2HD TYR 85 6.139 2.664 1.145 664 HE1 TYR 85 1HE TYR 85 5.199 4.020 -3.483 665 HE2 TYR 85 2HE TYR 85 5.246 1.026 -0.456 666 HH TYR 85 HH TYR 85 4.012 0.961 -2.547 667 H GLN 86 H GLN 86 9.692 5.871 2.853 668 HA GLN 86 HA GLN 86 9.649 8.733 2.231 669 HB2 GLN 86 2HB GLN 86 10.578 9.169 4.431 670 HB3 GLN 86 1HB GLN 86 9.162 8.137 4.586 671 HG2 GLN 86 2HG GLN 86 10.533 6.248 5.041 672 HG3 GLN 86 1HG GLN 86 11.996 7.143 4.638 673 HE21 GLN 86 1HE2 GLN 86 12.931 6.821 6.606 674 HE22 GLN 86 2HE2 GLN 86 12.414 7.600 8.046 675 H ALA 87 H ALA 87 11.714 6.028 2.299 676 HA ALA 87 HA ALA 87 14.148 7.533 2.007 677 HB1 ALA 87 1HB ALA 87 15.235 5.365 1.763 678 HB2 ALA 87 2HB ALA 87 13.660 4.579 1.641 679 HB3 ALA 87 3HB ALA 87 14.140 5.366 3.146 680 H GLY 88 H GLY 88 11.833 5.977 -0.118 681 HA2 GLY 88 2HA GLY 88 13.014 7.279 -2.379 682 HA3 GLY 88 1HA GLY 88 13.094 5.518 -2.409 683 H GLY 89 H GLY 89 10.817 8.110 -1.737 684 HA2 GLY 89 2HA GLY 89 8.882 6.793 -3.408 685 HA3 GLY 89 1HA GLY 89 8.525 6.871 -1.679 686 H ALA 90 H ALA 90 7.687 8.654 -0.860 687 HA ALA 90 HA ALA 90 7.771 11.137 -2.259 688 HB1 ALA 90 1HB ALA 90 6.024 9.976 -3.535 689 HB2 ALA 90 2HB ALA 90 5.395 11.386 -2.684 690 HB3 ALA 90 3HB ALA 90 5.070 9.776 -2.067 691 HA PRO 91 HA PRO 91 5.626 11.946 1.875 692 HB2 PRO 91 2HB PRO 91 5.020 9.602 3.407 693 HB3 PRO 91 1HB PRO 91 3.880 10.710 2.645 694 HG2 PRO 91 2HG PRO 91 4.260 8.082 1.875 695 HG3 PRO 91 1HG PRO 91 3.586 9.348 0.838 696 HD2 PRO 91 2HD PRO 91 6.381 8.285 0.960 697 HD3 PRO 91 1HD PRO 91 5.412 8.710 -0.467 698 H GLY 92 H GLY 92 7.599 12.650 2.460 699 HA2 GLY 92 2HA GLY 92 8.681 12.066 4.845 700 HA3 GLY 92 1HA GLY 92 9.492 10.919 3.785 701 H GLY 93 H GLY 93 8.497 14.225 3.058 702 HA2 GLY 93 2HA GLY 93 11.332 14.804 2.531 703 HA3 GLY 93 1HA GLY 93 9.993 15.500 1.628 704 H ALA 94 H ALA 94 9.526 15.150 4.972 705 HA ALA 94 HA ALA 94 9.152 16.566 6.635 706 HB1 ALA 94 1HB ALA 94 11.612 16.746 6.639 707 HB2 ALA 94 2HB ALA 94 10.837 18.235 7.176 708 HB3 ALA 94 3HB ALA 94 11.502 18.124 5.545 709 H ALA 95 H ALA 95 7.183 17.089 5.859 710 HA ALA 95 HA ALA 95 6.879 19.563 4.372 711 HB1 ALA 95 1HB ALA 95 5.493 17.648 3.730 712 HB2 ALA 95 2HB ALA 95 4.496 18.982 4.314 713 HB3 ALA 95 3HB ALA 95 4.815 17.592 5.355 714 H GLY 96 H GLY 96 6.312 21.414 5.267 715 HA2 GLY 96 2HA GLY 96 5.394 22.864 6.814 716 HA3 GLY 96 1HA GLY 96 5.134 21.513 7.904 717 H GLY 97 H GLY 97 6.178 23.902 8.755 718 HA2 GLY 97 2HA GLY 97 9.038 23.341 9.119 719 HA3 GLY 97 1HA GLY 97 8.235 24.883 9.438 720 H ALA 98 H ALA 98 9.753 22.640 11.078 721 HA ALA 98 HA ALA 98 7.699 22.137 12.981 722 HB1 ALA 98 1HB ALA 98 10.605 21.308 13.337 723 HB2 ALA 98 2HB ALA 98 9.385 20.369 12.498 724 HB3 ALA 98 3HB ALA 98 9.190 20.722 14.205 725 HA PRO 99 HA PRO 99 9.986 24.980 15.977 726 HB2 PRO 99 2HB PRO 99 12.138 26.363 14.556 727 HB3 PRO 99 1HB PRO 99 12.230 25.387 16.028 728 HG2 PRO 99 2HG PRO 99 13.302 24.540 13.700 729 HG3 PRO 99 1HG PRO 99 12.562 23.418 14.860 730 HD2 PRO 99 2HD PRO 99 11.351 24.636 12.395 731 HD3 PRO 99 1HD PRO 99 11.340 22.935 12.876 732 H GLY 100 H GLY 100 9.685 26.003 12.663 733 HA2 GLY 100 2HA GLY 100 8.297 27.678 11.848 734 HA3 GLY 100 1HA GLY 100 8.102 28.285 13.492 735 H GLY 101 H GLY 101 10.700 27.880 11.065 736 HA2 GLY 101 2HA GLY 101 11.360 30.663 11.293 737 HA3 GLY 101 1HA GLY 101 12.586 29.545 11.892 Start of MODEL 11 1 H1 SER 1 1HT SER 1 -19.992 -28.749 -12.728 2 H2 SER 1 2HT SER 1 -19.917 -27.774 -11.384 3 H3 SER 1 3HT SER 1 -18.862 -27.492 -12.699 4 HA SER 1 HA SER 1 -20.716 -27.013 -14.087 5 HB2 SER 1 2HB SER 1 -22.286 -27.236 -11.510 6 HB3 SER 1 1HB SER 1 -22.941 -26.815 -13.099 7 HG SER 1 HG SER 1 -22.972 -29.149 -12.290 8 H LYS 2 H LYS 2 -22.337 -24.821 -13.219 9 HA LYS 2 HA LYS 2 -20.302 -22.881 -13.401 10 HB2 LYS 2 2HB LYS 2 -22.887 -22.946 -14.169 11 HB3 LYS 2 1HB LYS 2 -23.042 -21.979 -12.713 12 HG2 LYS 2 2HG LYS 2 -21.242 -21.336 -15.061 13 HG3 LYS 2 1HG LYS 2 -22.801 -20.598 -14.728 14 HD2 LYS 2 2HD LYS 2 -21.962 -19.565 -12.742 15 HD3 LYS 2 1HD LYS 2 -20.461 -20.486 -12.848 16 HE2 LYS 2 2HE LYS 2 -21.370 -18.465 -14.894 17 HE3 LYS 2 1HE LYS 2 -20.252 -18.118 -13.577 18 HZ1 LYS 2 1HZ LYS 2 -18.720 -19.763 -14.493 19 HZ2 LYS 2 2HZ LYS 2 -19.081 -18.577 -15.613 20 HZ3 LYS 2 3HZ LYS 2 -19.790 -20.088 -15.763 21 H GLU 3 H GLU 3 -22.246 -23.959 -10.690 22 HA GLU 3 HA GLU 3 -21.543 -21.757 -9.018 23 HB2 GLU 3 2HB GLU 3 -22.479 -23.004 -7.137 24 HB3 GLU 3 1HB GLU 3 -23.541 -23.152 -8.520 25 HG2 GLU 3 2HG GLU 3 -21.628 -25.260 -7.512 26 HG3 GLU 3 1HG GLU 3 -23.374 -25.240 -7.274 27 H GLU 4 H GLU 4 -20.225 -24.952 -9.492 28 HA GLU 4 HA GLU 4 -18.085 -24.799 -7.646 29 HB2 GLU 4 2HB GLU 4 -18.316 -26.294 -10.256 30 HB3 GLU 4 1HB GLU 4 -17.085 -26.593 -9.035 31 HG2 GLU 4 2HG GLU 4 -18.732 -27.332 -7.478 32 HG3 GLU 4 1HG GLU 4 -20.037 -26.854 -8.562 33 H ASP 5 H ASP 5 -18.512 -23.850 -10.941 34 HA ASP 5 HA ASP 5 -15.910 -23.082 -11.621 35 HB2 ASP 5 2HB ASP 5 -17.642 -23.343 -13.306 36 HB3 ASP 5 1HB ASP 5 -18.569 -22.039 -12.577 37 H GLU 6 H GLU 6 -18.555 -21.163 -10.335 38 HA GLU 6 HA GLU 6 -17.155 -18.723 -10.236 39 HB2 GLU 6 2HB GLU 6 -19.535 -19.617 -8.627 40 HB3 GLU 6 1HB GLU 6 -18.929 -17.969 -8.707 41 HG2 GLU 6 2HG GLU 6 -19.396 -17.888 -11.074 42 HG3 GLU 6 1HG GLU 6 -19.938 -19.567 -11.031 43 H LYS 7 H LYS 7 -17.753 -21.123 -7.684 44 HA LYS 7 HA LYS 7 -16.449 -19.542 -5.745 45 HB2 LYS 7 2HB LYS 7 -16.504 -21.481 -4.261 46 HB3 LYS 7 1HB LYS 7 -18.058 -21.214 -5.029 47 HG2 LYS 7 2HG LYS 7 -17.560 -23.035 -6.607 48 HG3 LYS 7 1HG LYS 7 -16.036 -23.327 -5.768 49 HD2 LYS 7 2HD LYS 7 -18.777 -23.503 -4.509 50 HD3 LYS 7 1HD LYS 7 -17.832 -24.882 -5.066 51 HE2 LYS 7 2HE LYS 7 -16.964 -22.937 -2.909 52 HE3 LYS 7 1HE LYS 7 -17.698 -24.508 -2.620 53 HZ1 LYS 7 1HZ LYS 7 -15.256 -24.538 -2.462 54 HZ2 LYS 7 2HZ LYS 7 -15.095 -24.189 -4.097 55 HZ3 LYS 7 3HZ LYS 7 -15.840 -25.589 -3.592 56 H GLU 8 H GLU 8 -15.239 -22.104 -7.844 57 HA GLU 8 HA GLU 8 -12.741 -22.096 -6.491 58 HB2 GLU 8 2HB GLU 8 -13.489 -23.332 -9.122 59 HB3 GLU 8 1HB GLU 8 -11.929 -23.528 -8.333 60 HG2 GLU 8 2HG GLU 8 -14.608 -24.474 -7.355 61 HG3 GLU 8 1HG GLU 8 -13.227 -25.444 -7.884 62 H SER 9 H SER 9 -14.011 -20.384 -9.287 63 HA SER 9 HA SER 9 -11.484 -19.486 -10.138 64 HB2 SER 9 2HB SER 9 -12.816 -17.644 -11.311 65 HB3 SER 9 1HB SER 9 -13.259 -19.297 -11.732 66 HG SER 9 HG SER 9 -15.075 -19.115 -10.678 67 H GLN 10 H GLN 10 -13.685 -18.365 -7.688 68 HA GLN 10 HA GLN 10 -12.336 -15.957 -7.072 69 HB2 GLN 10 2HB GLN 10 -13.907 -17.748 -5.204 70 HB3 GLN 10 1HB GLN 10 -13.401 -16.105 -4.840 71 HG2 GLN 10 2HG GLN 10 -15.340 -16.973 -6.962 72 HG3 GLN 10 1HG GLN 10 -15.711 -16.129 -5.457 73 HE21 GLN 10 1HE2 GLN 10 -16.215 -15.418 -8.238 74 HE22 GLN 10 2HE2 GLN 10 -15.489 -13.875 -8.470 75 H ARG 11 H ARG 11 -11.958 -19.280 -5.932 76 HA ARG 11 HA ARG 11 -9.855 -18.762 -4.143 77 HB2 ARG 11 2HB ARG 11 -10.942 -20.898 -3.956 78 HB3 ARG 11 1HB ARG 11 -10.609 -21.281 -5.639 79 HG2 ARG 11 2HG ARG 11 -8.245 -21.508 -5.162 80 HG3 ARG 11 1HG ARG 11 -8.504 -20.994 -3.499 81 HD2 ARG 11 2HD ARG 11 -9.859 -23.425 -4.641 82 HD3 ARG 11 1HD ARG 11 -8.243 -23.472 -3.931 83 HE ARG 11 HE ARG 11 -9.299 -22.546 -1.902 84 HH11 ARG 11 1HH1 ARG 11 -11.354 -24.501 -4.112 85 HH12 ARG 11 2HH1 ARG 11 -12.239 -25.146 -2.840 86 HH21 ARG 11 1HH2 ARG 11 -10.538 -23.515 -0.236 87 HH22 ARG 11 2HH2 ARG 11 -11.792 -24.608 -0.579 88 H ILE 12 H ILE 12 -9.826 -19.586 -7.585 89 HA ILE 12 HA ILE 12 -7.063 -19.656 -8.030 90 HB ILE 12 HB ILE 12 -9.124 -18.473 -9.916 91 HG12 ILE 12 2HG1 ILE 12 -9.803 -20.736 -9.353 92 HG13 ILE 12 1HG1 ILE 12 -9.184 -20.718 -10.996 93 HG21 ILE 12 1HG2 ILE 12 -7.554 -19.036 -11.728 94 HG22 ILE 12 2HG2 ILE 12 -6.382 -19.572 -10.532 95 HG23 ILE 12 3HG2 ILE 12 -6.853 -17.881 -10.596 96 HD11 ILE 12 1HD1 ILE 12 -7.086 -21.689 -10.200 97 HD12 ILE 12 2HD1 ILE 12 -8.483 -22.691 -9.790 98 HD13 ILE 12 3HD1 ILE 12 -7.724 -21.696 -8.551 99 H ALA 13 H ALA 13 -9.286 -16.905 -8.241 100 HA ALA 13 HA ALA 13 -7.391 -14.939 -8.825 101 HB1 ALA 13 1HB ALA 13 -9.801 -14.636 -9.139 102 HB2 ALA 13 2HB ALA 13 -9.104 -13.328 -8.178 103 HB3 ALA 13 3HB ALA 13 -10.021 -14.615 -7.390 104 H SER 14 H SER 14 -8.533 -16.183 -5.750 105 HA SER 14 HA SER 14 -7.247 -14.238 -4.182 106 HB2 SER 14 2HB SER 14 -8.133 -17.025 -3.424 107 HB3 SER 14 1HB SER 14 -7.673 -15.755 -2.286 108 HG SER 14 HG SER 14 -9.834 -15.724 -4.129 109 H LYS 15 H LYS 15 -6.224 -17.492 -5.234 110 HA LYS 15 HA LYS 15 -3.715 -17.483 -3.908 111 HB2 LYS 15 2HB LYS 15 -4.469 -18.805 -6.508 112 HB3 LYS 15 1HB LYS 15 -3.033 -19.182 -5.573 113 HG2 LYS 15 2HG LYS 15 -4.532 -19.944 -3.726 114 HG3 LYS 15 1HG LYS 15 -5.901 -19.705 -4.811 115 HD2 LYS 15 2HD LYS 15 -3.555 -21.535 -5.328 116 HD3 LYS 15 1HD LYS 15 -5.150 -22.058 -4.777 117 HE2 LYS 15 2HE LYS 15 -6.145 -21.265 -6.827 118 HE3 LYS 15 1HE LYS 15 -4.599 -20.599 -7.356 119 HZ1 LYS 15 1HZ LYS 15 -5.029 -22.654 -8.447 120 HZ2 LYS 15 2HZ LYS 15 -5.240 -23.489 -7.012 121 HZ3 LYS 15 3HZ LYS 15 -3.723 -22.870 -7.425 122 H ASN 16 H ASN 16 -4.771 -16.581 -7.089 123 HA ASN 16 HA ASN 16 -2.471 -15.842 -8.404 124 HB2 ASN 16 2HB ASN 16 -4.713 -15.983 -9.393 125 HB3 ASN 16 1HB ASN 16 -5.208 -14.567 -8.487 126 HD21 ASN 16 1HD2 ASN 16 -3.675 -15.770 -11.248 127 HD22 ASN 16 2HD2 ASN 16 -3.306 -14.252 -11.997 128 H GLN 17 H GLN 17 -4.606 -13.813 -6.459 129 HA GLN 17 HA GLN 17 -3.140 -11.402 -6.670 130 HB2 GLN 17 2HB GLN 17 -5.568 -11.779 -6.021 131 HB3 GLN 17 1HB GLN 17 -4.970 -12.220 -4.435 132 HG2 GLN 17 2HG GLN 17 -3.989 -9.973 -4.214 133 HG3 GLN 17 1HG GLN 17 -4.696 -9.539 -5.776 134 HE21 GLN 17 1HE2 GLN 17 -5.276 -8.323 -3.216 135 HE22 GLN 17 2HE2 GLN 17 -6.951 -8.594 -2.944 136 H LEU 18 H LEU 18 -3.290 -13.891 -4.163 137 HA LEU 18 HA LEU 18 -1.598 -12.680 -2.289 138 HB2 LEU 18 2HB LEU 18 -3.175 -14.514 -1.801 139 HB3 LEU 18 1HB LEU 18 -2.252 -15.599 -2.801 140 HG LEU 18 HG LEU 18 -2.102 -15.908 -0.293 141 HD11 LEU 18 1HD1 LEU 18 0.473 -15.544 -1.797 142 HD12 LEU 18 2HD1 LEU 18 -0.543 -16.988 -1.757 143 HD13 LEU 18 3HD1 LEU 18 0.266 -16.446 -0.294 144 HD21 LEU 18 1HD2 LEU 18 -0.517 -14.480 0.928 145 HD22 LEU 18 2HD2 LEU 18 -1.915 -13.570 0.370 146 HD23 LEU 18 3HD2 LEU 18 -0.377 -13.434 -0.481 147 H GLU 19 H GLU 19 -0.943 -14.953 -4.895 148 HA GLU 19 HA GLU 19 1.805 -15.323 -4.572 149 HB2 GLU 19 2HB GLU 19 0.320 -16.640 -6.042 150 HB3 GLU 19 1HB GLU 19 0.152 -15.245 -7.091 151 HG2 GLU 19 2HG GLU 19 2.588 -15.336 -7.503 152 HG3 GLU 19 1HG GLU 19 2.642 -16.838 -6.574 153 H SER 20 H SER 20 -0.004 -13.045 -6.603 154 HA SER 20 HA SER 20 2.168 -11.809 -7.829 155 HB2 SER 20 2HB SER 20 -0.609 -10.766 -7.302 156 HB3 SER 20 1HB SER 20 0.536 -10.071 -8.450 157 HG SER 20 HG SER 20 -0.800 -12.554 -8.519 158 H ILE 21 H ILE 21 0.354 -10.849 -4.918 159 HA ILE 21 HA ILE 21 1.776 -8.455 -4.589 160 HB ILE 21 HB ILE 21 0.185 -10.072 -2.581 161 HG12 ILE 21 2HG1 ILE 21 -1.164 -9.276 -4.463 162 HG13 ILE 21 1HG1 ILE 21 -1.599 -8.416 -2.997 163 HG21 ILE 21 1HG2 ILE 21 1.754 -8.622 -1.434 164 HG22 ILE 21 2HG2 ILE 21 0.099 -8.036 -1.229 165 HG23 ILE 21 3HG2 ILE 21 1.189 -7.242 -2.379 166 HD11 ILE 21 1HD1 ILE 21 -0.265 -6.496 -3.756 167 HD12 ILE 21 2HD1 ILE 21 -1.554 -6.913 -4.880 168 HD13 ILE 21 3HD1 ILE 21 0.111 -7.362 -5.245 169 H ALA 22 H ALA 22 2.360 -11.740 -3.434 170 HA ALA 22 HA ALA 22 4.446 -11.117 -1.655 171 HB1 ALA 22 1HB ALA 22 3.360 -13.331 -1.727 172 HB2 ALA 22 2HB ALA 22 5.112 -13.462 -1.879 173 HB3 ALA 22 3HB ALA 22 4.088 -13.624 -3.306 174 H TYR 23 H TYR 23 4.439 -11.779 -5.135 175 HA TYR 23 HA TYR 23 7.248 -11.498 -5.397 176 HB2 TYR 23 2HB TYR 23 5.047 -11.390 -7.444 177 HB3 TYR 23 1HB TYR 23 6.729 -11.086 -7.864 178 HD1 TYR 23 1HD TYR 23 8.422 -12.880 -7.406 179 HD2 TYR 23 2HD TYR 23 4.247 -13.608 -7.227 180 HE1 TYR 23 1HE TYR 23 8.839 -15.288 -7.628 181 HE2 TYR 23 2HE TYR 23 4.655 -16.024 -7.446 182 HH TYR 23 HH TYR 23 6.273 -17.525 -8.159 183 H SER 24 H SER 24 4.576 -9.245 -5.791 184 HA SER 24 HA SER 24 6.094 -7.108 -6.734 185 HB2 SER 24 2HB SER 24 3.605 -7.246 -6.841 186 HB3 SER 24 1HB SER 24 3.542 -6.985 -5.101 187 HG SER 24 HG SER 24 3.405 -4.992 -5.699 188 H LEU 25 H LEU 25 5.428 -8.207 -3.455 189 HA LEU 25 HA LEU 25 6.530 -6.054 -2.012 190 HB2 LEU 25 2HB LEU 25 5.222 -7.877 -0.989 191 HB3 LEU 25 1HB LEU 25 6.509 -9.002 -1.366 192 HG LEU 25 HG LEU 25 8.001 -7.895 0.204 193 HD11 LEU 25 1HD1 LEU 25 7.196 -5.611 -0.018 194 HD12 LEU 25 2HD1 LEU 25 7.150 -6.118 1.673 195 HD13 LEU 25 3HD1 LEU 25 5.665 -6.068 0.724 196 HD21 LEU 25 1HD2 LEU 25 5.296 -8.493 1.398 197 HD22 LEU 25 2HD2 LEU 25 6.829 -8.470 2.267 198 HD23 LEU 25 3HD2 LEU 25 6.543 -9.680 1.015 199 H LYS 26 H LYS 26 8.051 -9.092 -3.080 200 HA LYS 26 HA LYS 26 10.645 -8.377 -2.223 201 HB2 LYS 26 2HB LYS 26 9.858 -10.261 -4.438 202 HB3 LYS 26 1HB LYS 26 11.465 -10.148 -3.735 203 HG2 LYS 26 2HG LYS 26 10.498 -10.841 -1.541 204 HG3 LYS 26 1HG LYS 26 8.947 -11.055 -2.353 205 HD2 LYS 26 2HD LYS 26 11.509 -12.495 -3.039 206 HD3 LYS 26 1HD LYS 26 10.176 -13.172 -2.112 207 HE2 LYS 26 2HE LYS 26 8.700 -12.977 -4.044 208 HE3 LYS 26 1HE LYS 26 9.988 -12.211 -4.974 209 HZ1 LYS 26 1HZ LYS 26 9.799 -14.611 -5.478 210 HZ2 LYS 26 2HZ LYS 26 10.125 -14.954 -3.852 211 HZ3 LYS 26 3HZ LYS 26 11.276 -14.208 -4.793 212 H ASN 27 H ASN 27 8.962 -7.974 -5.265 213 HA ASN 27 HA ASN 27 10.932 -6.923 -6.901 214 HB2 ASN 27 2HB ASN 27 8.671 -7.449 -7.713 215 HB3 ASN 27 1HB ASN 27 8.011 -6.163 -6.716 216 HD21 ASN 27 1HD2 ASN 27 9.734 -6.935 -9.601 217 HD22 ASN 27 2HD2 ASN 27 9.677 -5.359 -10.304 218 H THR 28 H THR 28 8.757 -5.208 -4.708 219 HA THR 28 HA THR 28 9.618 -2.621 -5.234 220 HB THR 28 HB THR 28 8.551 -3.695 -2.613 221 HG1 THR 28 1HG THR 28 7.149 -4.156 -4.369 222 HG21 THR 28 1HG2 THR 28 9.486 -1.419 -2.432 223 HG22 THR 28 2HG2 THR 28 7.727 -1.392 -2.268 224 HG23 THR 28 3HG2 THR 28 8.479 -0.900 -3.782 225 H ILE 29 H ILE 29 10.853 -4.936 -2.816 226 HA ILE 29 HA ILE 29 12.773 -3.012 -1.922 227 HB ILE 29 HB ILE 29 12.542 -5.970 -1.145 228 HG12 ILE 29 2HG1 ILE 29 12.040 -5.021 1.099 229 HG13 ILE 29 1HG1 ILE 29 12.095 -3.416 0.404 230 HG21 ILE 29 1HG2 ILE 29 14.550 -3.942 -0.266 231 HG22 ILE 29 2HG2 ILE 29 14.856 -5.521 -1.019 232 HG23 ILE 29 3HG2 ILE 29 14.176 -5.412 0.611 233 HD11 ILE 29 1HD1 ILE 29 9.841 -4.139 0.785 234 HD12 ILE 29 2HD1 ILE 29 10.097 -5.560 -0.238 235 HD13 ILE 29 3HD1 ILE 29 10.153 -3.934 -0.938 236 H SER 30 H SER 30 12.829 -5.662 -4.178 237 HA SER 30 HA SER 30 15.611 -5.755 -4.582 238 HB2 SER 30 2HB SER 30 13.994 -7.506 -5.310 239 HB3 SER 30 1HB SER 30 13.367 -6.395 -6.519 240 HG SER 30 HG SER 30 16.100 -6.951 -6.465 241 H GLU 31 H GLU 31 13.080 -3.711 -5.878 242 HA GLU 31 HA GLU 31 14.771 -2.413 -7.772 243 HB2 GLU 31 2HB GLU 31 12.096 -1.647 -6.627 244 HB3 GLU 31 1HB GLU 31 12.908 -0.758 -7.911 245 HG2 GLU 31 2HG GLU 31 12.017 -3.627 -8.018 246 HG3 GLU 31 1HG GLU 31 11.239 -2.265 -8.820 247 H ALA 32 H ALA 32 13.689 -1.779 -4.523 248 HA ALA 32 HA ALA 32 14.779 0.786 -4.188 249 HB1 ALA 32 1HB ALA 32 14.552 0.364 -1.808 250 HB2 ALA 32 2HB ALA 32 14.379 -1.361 -2.125 251 HB3 ALA 32 3HB ALA 32 13.137 -0.242 -2.680 252 H GLY 33 H GLY 33 16.050 -2.417 -3.390 253 HA2 GLY 33 2HA GLY 33 18.141 -3.233 -3.106 254 HA3 GLY 33 1HA GLY 33 18.706 -1.876 -4.068 255 H ASP 34 H ASP 34 19.414 -0.098 -3.124 256 HA ASP 34 HA ASP 34 20.852 -0.340 -0.710 257 HB2 ASP 34 2HB ASP 34 21.781 1.008 -2.384 258 HB3 ASP 34 1HB ASP 34 20.292 1.912 -2.604 259 H LYS 35 H LYS 35 17.721 0.960 -1.388 260 HA LYS 35 HA LYS 35 17.764 2.761 0.847 261 HB2 LYS 35 2HB LYS 35 15.647 2.162 -1.141 262 HB3 LYS 35 1HB LYS 35 15.328 3.172 0.261 263 HG2 LYS 35 2HG LYS 35 15.831 4.652 -1.497 264 HG3 LYS 35 1HG LYS 35 17.272 4.605 -0.489 265 HD2 LYS 35 2HD LYS 35 18.242 2.961 -2.077 266 HD3 LYS 35 1HD LYS 35 16.824 3.188 -3.108 267 HE2 LYS 35 2HE LYS 35 18.510 4.615 -3.964 268 HE3 LYS 35 1HE LYS 35 17.330 5.602 -3.112 269 HZ1 LYS 35 1HZ LYS 35 18.781 5.862 -1.257 270 HZ2 LYS 35 2HZ LYS 35 19.724 6.185 -2.605 271 HZ3 LYS 35 3HZ LYS 35 19.857 4.698 -1.817 272 H LEU 36 H LEU 36 17.347 -0.423 1.107 273 HA LEU 36 HA LEU 36 15.663 0.127 3.438 274 HB2 LEU 36 2HB LEU 36 14.288 -1.050 1.742 275 HB3 LEU 36 1HB LEU 36 15.406 -2.402 1.815 276 HG LEU 36 HG LEU 36 14.862 -2.664 4.227 277 HD11 LEU 36 1HD1 LEU 36 12.751 -0.601 3.640 278 HD12 LEU 36 2HD1 LEU 36 14.113 -0.443 4.755 279 HD13 LEU 36 3HD1 LEU 36 12.828 -1.594 5.092 280 HD21 LEU 36 1HD2 LEU 36 13.775 -4.037 2.541 281 HD22 LEU 36 2HD2 LEU 36 12.506 -2.816 2.369 282 HD23 LEU 36 3HD2 LEU 36 12.690 -3.690 3.884 283 H GLU 37 H GLU 37 16.140 -0.875 5.301 284 HA GLU 37 HA GLU 37 18.809 -1.692 5.678 285 HB2 GLU 37 2HB GLU 37 16.465 -1.915 7.575 286 HB3 GLU 37 1HB GLU 37 18.165 -2.017 8.007 287 HG2 GLU 37 2HG GLU 37 18.479 0.296 7.236 288 HG3 GLU 37 1HG GLU 37 16.753 0.385 6.894 289 H GLN 38 H GLN 38 19.566 -3.649 6.492 290 HA GLN 38 HA GLN 38 19.013 -5.932 5.002 291 HB2 GLN 38 2HB GLN 38 21.104 -5.254 6.317 292 HB3 GLN 38 1HB GLN 38 20.301 -5.870 7.735 293 HG2 GLN 38 2HG GLN 38 21.084 -7.508 5.317 294 HG3 GLN 38 1HG GLN 38 22.005 -7.390 6.800 295 HE21 GLN 38 1HE2 GLN 38 19.403 -8.897 5.185 296 HE22 GLN 38 2HE2 GLN 38 18.996 -10.014 6.436 297 H ALA 39 H ALA 39 18.179 -5.208 8.370 298 HA ALA 39 HA ALA 39 16.934 -7.635 8.969 299 HB1 ALA 39 1HB ALA 39 17.712 -6.050 10.670 300 HB2 ALA 39 2HB ALA 39 16.025 -6.504 10.922 301 HB3 ALA 39 3HB ALA 39 16.421 -4.939 10.216 302 H ASP 40 H ASP 40 15.507 -4.588 7.840 303 HA ASP 40 HA ASP 40 12.850 -5.608 7.951 304 HB2 ASP 40 2HB ASP 40 13.945 -3.230 6.452 305 HB3 ASP 40 1HB ASP 40 12.240 -3.657 6.500 306 H LYS 41 H LYS 41 15.255 -5.412 5.424 307 HA LYS 41 HA LYS 41 13.685 -6.334 3.294 308 HB2 LYS 41 2HB LYS 41 15.939 -5.422 2.986 309 HB3 LYS 41 1HB LYS 41 16.627 -6.802 3.831 310 HG2 LYS 41 2HG LYS 41 15.782 -8.285 2.067 311 HG3 LYS 41 1HG LYS 41 15.165 -6.907 1.183 312 HD2 LYS 41 2HD LYS 41 18.065 -7.431 1.876 313 HD3 LYS 41 1HD LYS 41 17.324 -7.628 0.294 314 HE2 LYS 41 2HE LYS 41 16.838 -5.186 0.268 315 HE3 LYS 41 1HE LYS 41 17.668 -5.040 1.817 316 HZ1 LYS 41 1HZ LYS 41 18.878 -5.993 -0.701 317 HZ2 LYS 41 2HZ LYS 41 19.679 -5.838 0.781 318 HZ3 LYS 41 3HZ LYS 41 19.134 -4.467 -0.023 319 H ASP 42 H ASP 42 15.573 -8.027 5.738 320 HA ASP 42 HA ASP 42 15.135 -10.690 4.895 321 HB2 ASP 42 2HB ASP 42 16.825 -10.102 6.588 322 HB3 ASP 42 1HB ASP 42 15.561 -9.557 7.676 323 H THR 43 H THR 43 13.326 -8.595 7.051 324 HA THR 43 HA THR 43 11.412 -10.443 7.876 325 HB THR 43 HB THR 43 11.003 -7.469 7.470 326 HG1 THR 43 1HG THR 43 12.767 -8.691 9.000 327 HG21 THR 43 1HG2 THR 43 9.701 -9.434 9.368 328 HG22 THR 43 2HG2 THR 43 8.945 -8.728 7.941 329 HG23 THR 43 3HG2 THR 43 9.381 -7.699 9.303 330 H VAL 44 H VAL 44 11.183 -8.082 5.182 331 HA VAL 44 HA VAL 44 8.613 -9.053 4.441 332 HB VAL 44 HB VAL 44 9.002 -7.750 2.298 333 HG11 VAL 44 1HG1 VAL 44 7.553 -6.981 4.121 334 HG12 VAL 44 2HG1 VAL 44 8.477 -5.607 3.506 335 HG13 VAL 44 3HG1 VAL 44 8.960 -6.399 5.006 336 HG21 VAL 44 1HG2 VAL 44 10.629 -5.902 2.479 337 HG22 VAL 44 2HG2 VAL 44 11.399 -7.486 2.404 338 HG23 VAL 44 3HG2 VAL 44 11.274 -6.636 3.943 339 H THR 45 H THR 45 11.737 -9.453 2.834 340 HA THR 45 HA THR 45 10.580 -10.791 0.659 341 HB THR 45 HB THR 45 12.786 -11.458 0.056 342 HG1 THR 45 1HG THR 45 13.746 -9.993 2.341 343 HG21 THR 45 1HG2 THR 45 12.004 -9.271 -0.657 344 HG22 THR 45 2HG2 THR 45 13.726 -9.168 -0.301 345 HG23 THR 45 3HG2 THR 45 12.547 -8.555 0.858 346 H LYS 46 H LYS 46 12.105 -11.977 3.597 347 HA LYS 46 HA LYS 46 12.031 -14.698 2.785 348 HB2 LYS 46 2HB LYS 46 13.480 -13.838 4.572 349 HB3 LYS 46 1HB LYS 46 12.068 -13.595 5.590 350 HG2 LYS 46 2HG LYS 46 11.640 -16.019 5.551 351 HG3 LYS 46 1HG LYS 46 13.076 -16.241 4.553 352 HD2 LYS 46 2HD LYS 46 13.006 -15.154 7.374 353 HD3 LYS 46 1HD LYS 46 13.575 -16.738 6.868 354 HE2 LYS 46 2HE LYS 46 15.370 -15.723 5.572 355 HE3 LYS 46 1HE LYS 46 14.789 -14.114 5.990 356 HZ1 LYS 46 1HZ LYS 46 15.243 -14.645 8.326 357 HZ2 LYS 46 2HZ LYS 46 16.581 -14.615 7.332 358 HZ3 LYS 46 3HZ LYS 46 15.971 -16.105 7.835 359 H LYS 47 H LYS 47 9.798 -12.610 4.599 360 HA LYS 47 HA LYS 47 7.939 -14.649 5.132 361 HB2 LYS 47 2HB LYS 47 7.824 -12.462 6.294 362 HB3 LYS 47 1HB LYS 47 7.382 -11.686 4.778 363 HG2 LYS 47 2HG LYS 47 5.336 -13.015 4.674 364 HG3 LYS 47 1HG LYS 47 5.780 -13.827 6.166 365 HD2 LYS 47 2HD LYS 47 5.669 -11.643 7.336 366 HD3 LYS 47 1HD LYS 47 5.144 -10.897 5.826 367 HE2 LYS 47 2HE LYS 47 3.216 -11.394 7.243 368 HE3 LYS 47 1HE LYS 47 3.180 -12.367 5.776 369 HZ1 LYS 47 1HZ LYS 47 4.092 -14.234 7.077 370 HZ2 LYS 47 2HZ LYS 47 2.612 -13.726 7.669 371 HZ3 LYS 47 3HZ LYS 47 4.028 -13.278 8.472 372 H ALA 48 H ALA 48 8.457 -12.535 2.367 373 HA ALA 48 HA ALA 48 6.123 -13.204 0.953 374 HB1 ALA 48 1HB ALA 48 7.330 -12.411 -1.035 375 HB2 ALA 48 2HB ALA 48 8.845 -12.438 -0.126 376 HB3 ALA 48 3HB ALA 48 7.571 -11.317 0.323 377 H GLU 49 H GLU 49 9.330 -14.682 0.984 378 HA GLU 49 HA GLU 49 8.735 -16.719 -0.858 379 HB2 GLU 49 2HB GLU 49 10.770 -16.558 1.355 380 HB3 GLU 49 1HB GLU 49 10.659 -17.939 0.266 381 HG2 GLU 49 2HG GLU 49 11.149 -15.090 -0.556 382 HG3 GLU 49 1HG GLU 49 12.375 -16.360 -0.436 383 H GLU 50 H GLU 50 8.311 -16.521 2.625 384 HA GLU 50 HA GLU 50 7.454 -19.195 3.022 385 HB2 GLU 50 2HB GLU 50 6.941 -16.669 4.605 386 HB3 GLU 50 1HB GLU 50 6.412 -18.260 5.120 387 HG2 GLU 50 2HG GLU 50 8.735 -18.994 5.245 388 HG3 GLU 50 1HG GLU 50 9.267 -17.402 4.697 389 H THR 51 H THR 51 5.931 -16.279 2.007 390 HA THR 51 HA THR 51 3.303 -17.176 2.324 391 HB THR 51 HB THR 51 4.386 -14.910 0.638 392 HG1 THR 51 1HG THR 51 4.860 -14.559 2.760 393 HG21 THR 51 1HG2 THR 51 2.123 -13.971 0.825 394 HG22 THR 51 2HG2 THR 51 1.592 -15.438 1.652 395 HG23 THR 51 3HG2 THR 51 2.128 -15.512 -0.029 396 H ILE 52 H ILE 52 5.527 -16.968 -0.394 397 HA ILE 52 HA ILE 52 3.837 -17.960 -2.419 398 HB ILE 52 HB ILE 52 6.867 -18.015 -2.201 399 HG12 ILE 52 2HG1 ILE 52 5.016 -16.160 -3.712 400 HG13 ILE 52 1HG1 ILE 52 5.803 -15.784 -2.186 401 HG21 ILE 52 1HG2 ILE 52 6.108 -19.719 -3.804 402 HG22 ILE 52 2HG2 ILE 52 6.915 -18.383 -4.624 403 HG23 ILE 52 3HG2 ILE 52 5.156 -18.495 -4.649 404 HD11 ILE 52 1HD1 ILE 52 7.980 -15.938 -3.285 405 HD12 ILE 52 2HD1 ILE 52 6.938 -14.747 -4.059 406 HD13 ILE 52 3HD1 ILE 52 7.179 -16.326 -4.807 407 H SER 53 H SER 53 6.168 -19.633 -0.301 408 HA SER 53 HA SER 53 5.649 -22.178 -1.390 409 HB2 SER 53 2HB SER 53 6.776 -22.964 0.759 410 HB3 SER 53 1HB SER 53 7.714 -21.907 -0.291 411 HG SER 53 HG SER 53 7.697 -20.416 1.149 412 H TRP 54 H TRP 54 4.117 -20.313 1.149 413 HA TRP 54 HA TRP 54 2.593 -22.347 2.325 414 HB2 TRP 54 2HB TRP 54 2.772 -19.946 3.206 415 HB3 TRP 54 1HB TRP 54 1.676 -19.465 1.926 416 HD1 TRP 54 HD TRP 54 1.742 -21.363 5.236 417 HE1 TRP 54 1HE TRP 54 -0.666 -21.670 6.063 418 HE3 TRP 54 3HE TRP 54 -0.753 -19.617 1.132 419 HZ2 TRP 54 2HZ TRP 54 -3.287 -21.233 5.096 420 HZ3 TRP 54 3HZ TRP 54 -3.204 -19.597 1.173 421 HH2 TRP 54 HH TRP 54 -4.441 -20.381 3.109 422 H LEU 55 H LEU 55 2.041 -20.306 -0.460 423 HA LEU 55 HA LEU 55 -0.521 -21.237 -1.142 424 HB2 LEU 55 2HB LEU 55 0.533 -19.138 -1.973 425 HB3 LEU 55 1HB LEU 55 1.641 -20.084 -2.929 426 HG LEU 55 HG LEU 55 -1.359 -20.077 -3.423 427 HD11 LEU 55 1HD1 LEU 55 -0.875 -18.504 -5.224 428 HD12 LEU 55 2HD1 LEU 55 0.796 -18.396 -4.674 429 HD13 LEU 55 3HD1 LEU 55 -0.512 -17.825 -3.640 430 HD21 LEU 55 1HD2 LEU 55 -0.741 -20.851 -5.647 431 HD22 LEU 55 2HD2 LEU 55 -0.116 -21.967 -4.430 432 HD23 LEU 55 3HD2 LEU 55 0.967 -20.817 -5.215 433 H ASP 56 H ASP 56 2.711 -22.425 -1.886 434 HA ASP 56 HA ASP 56 1.869 -24.300 -3.872 435 HB2 ASP 56 2HB ASP 56 4.417 -24.211 -2.257 436 HB3 ASP 56 1HB ASP 56 4.095 -25.362 -3.541 437 H SER 57 H SER 57 2.039 -24.313 -0.466 438 HA SER 57 HA SER 57 1.923 -27.190 -0.380 439 HB2 SER 57 2HB SER 57 2.060 -25.210 1.893 440 HB3 SER 57 1HB SER 57 2.334 -26.951 1.996 441 HG SER 57 HG SER 57 3.927 -24.953 0.822 442 H ASN 58 H ASN 58 -0.083 -24.391 0.178 443 HA ASN 58 HA ASN 58 -2.287 -26.076 1.149 444 HB2 ASN 58 2HB ASN 58 -1.583 -23.224 1.888 445 HB3 ASN 58 1HB ASN 58 -3.098 -23.999 2.328 446 HD21 ASN 58 1HD2 ASN 58 0.288 -23.750 3.005 447 HD22 ASN 58 2HD2 ASN 58 0.279 -24.747 4.407 448 H THR 59 H THR 59 -1.799 -25.702 -1.539 449 HA THR 59 HA THR 59 -2.913 -23.557 -2.858 450 HB THR 59 HB THR 59 -3.068 -26.348 -3.913 451 HG1 THR 59 1HG THR 59 -0.771 -24.779 -3.274 452 HG21 THR 59 1HG2 THR 59 -3.601 -24.387 -5.339 453 HG22 THR 59 2HG2 THR 59 -2.138 -25.225 -5.883 454 HG23 THR 59 3HG2 THR 59 -2.009 -23.725 -4.963 455 H THR 60 H THR 60 -4.597 -26.253 -1.302 456 HA THR 60 HA THR 60 -7.068 -25.545 -2.689 457 HB THR 60 HB THR 60 -7.996 -27.594 -1.576 458 HG1 THR 60 1HG THR 60 -6.646 -27.885 0.143 459 HG21 THR 60 1HG2 THR 60 -5.529 -27.989 -3.262 460 HG22 THR 60 2HG2 THR 60 -7.155 -27.678 -3.868 461 HG23 THR 60 3HG2 THR 60 -6.801 -29.184 -3.022 462 H ALA 61 H ALA 61 -5.645 -24.134 -0.299 463 HA ALA 61 HA ALA 61 -7.469 -24.329 1.869 464 HB1 ALA 61 1HB ALA 61 -5.177 -23.506 2.168 465 HB2 ALA 61 2HB ALA 61 -6.356 -22.324 2.728 466 HB3 ALA 61 3HB ALA 61 -5.551 -22.100 1.171 467 H SER 62 H SER 62 -8.841 -22.542 2.590 468 HA SER 62 HA SER 62 -10.625 -21.805 0.508 469 HB2 SER 62 2HB SER 62 -10.519 -20.871 3.384 470 HB3 SER 62 1HB SER 62 -11.901 -20.735 2.291 471 HG SER 62 HG SER 62 -10.850 -22.942 3.608 472 H LYS 63 H LYS 63 -11.191 -19.650 -0.104 473 HA LYS 63 HA LYS 63 -8.985 -18.101 -0.791 474 HB2 LYS 63 2HB LYS 63 -10.571 -16.468 -1.673 475 HB3 LYS 63 1HB LYS 63 -11.016 -18.106 -2.124 476 HG2 LYS 63 2HG LYS 63 -12.700 -18.056 -0.282 477 HG3 LYS 63 1HG LYS 63 -12.307 -16.352 -0.052 478 HD2 LYS 63 2HD LYS 63 -12.932 -15.894 -2.376 479 HD3 LYS 63 1HD LYS 63 -13.337 -17.590 -2.611 480 HE2 LYS 63 2HE LYS 63 -14.700 -15.592 -0.805 481 HE3 LYS 63 1HE LYS 63 -15.374 -16.397 -2.221 482 HZ1 LYS 63 1HZ LYS 63 -16.239 -17.497 -0.332 483 HZ2 LYS 63 2HZ LYS 63 -14.756 -17.508 0.428 484 HZ3 LYS 63 3HZ LYS 63 -15.013 -18.532 -0.892 485 H GLU 64 H GLU 64 -11.137 -17.867 1.931 486 HA GLU 64 HA GLU 64 -10.295 -15.335 2.838 487 HB2 GLU 64 2HB GLU 64 -11.340 -17.640 4.481 488 HB3 GLU 64 1HB GLU 64 -11.162 -15.999 5.044 489 HG2 GLU 64 2HG GLU 64 -13.462 -16.387 4.585 490 HG3 GLU 64 1HG GLU 64 -12.844 -15.276 3.369 491 H GLU 65 H GLU 65 -8.901 -18.521 3.109 492 HA GLU 65 HA GLU 65 -7.095 -17.877 5.224 493 HB2 GLU 65 2HB GLU 65 -7.005 -20.099 3.168 494 HB3 GLU 65 1HB GLU 65 -5.907 -19.960 4.531 495 HG2 GLU 65 2HG GLU 65 -7.756 -20.231 6.079 496 HG3 GLU 65 1HG GLU 65 -8.890 -20.308 4.730 497 H PHE 66 H PHE 66 -6.897 -18.045 1.704 498 HA PHE 66 HA PHE 66 -4.225 -17.148 1.475 499 HB2 PHE 66 2HB PHE 66 -6.546 -17.001 -0.464 500 HB3 PHE 66 1HB PHE 66 -4.944 -16.405 -0.871 501 HD1 PHE 66 1HD PHE 66 -3.030 -18.014 -0.868 502 HD2 PHE 66 2HD PHE 66 -7.086 -19.326 -0.669 503 HE1 PHE 66 1HE PHE 66 -2.351 -20.257 -1.584 504 HE2 PHE 66 2HE PHE 66 -6.396 -21.551 -1.373 505 HZ PHE 66 HZ PHE 66 -4.035 -22.030 -1.833 506 H ASP 67 H ASP 67 -7.297 -15.462 1.508 507 HA ASP 67 HA ASP 67 -6.380 -12.845 1.170 508 HB2 ASP 67 2HB ASP 67 -8.733 -13.429 0.971 509 HB3 ASP 67 1HB ASP 67 -8.782 -13.902 2.661 510 H ASP 68 H ASP 68 -6.678 -14.849 4.042 511 HA ASP 68 HA ASP 68 -6.105 -12.750 5.877 512 HB2 ASP 68 2HB ASP 68 -7.190 -15.101 6.304 513 HB3 ASP 68 1HB ASP 68 -5.520 -15.614 6.507 514 H LYS 69 H LYS 69 -4.139 -15.171 4.186 515 HA LYS 69 HA LYS 69 -1.706 -14.481 5.436 516 HB2 LYS 69 2HB LYS 69 -2.262 -15.704 2.729 517 HB3 LYS 69 1HB LYS 69 -0.649 -15.531 3.400 518 HG2 LYS 69 2HG LYS 69 -2.895 -17.157 4.599 519 HG3 LYS 69 1HG LYS 69 -1.536 -17.800 3.687 520 HD2 LYS 69 2HD LYS 69 -1.291 -16.269 6.292 521 HD3 LYS 69 1HD LYS 69 -1.268 -18.020 6.148 522 HE2 LYS 69 2HE LYS 69 0.743 -17.921 4.810 523 HE3 LYS 69 1HE LYS 69 0.692 -16.162 4.804 524 HZ1 LYS 69 1HZ LYS 69 1.007 -17.813 7.261 525 HZ2 LYS 69 2HZ LYS 69 1.109 -16.124 7.152 526 HZ3 LYS 69 3HZ LYS 69 2.262 -17.074 6.430 527 H LEU 70 H LEU 70 -3.469 -13.222 2.738 528 HA LEU 70 HA LEU 70 -1.519 -11.412 1.797 529 HB2 LEU 70 2HB LEU 70 -3.602 -12.197 0.569 530 HB3 LEU 70 1HB LEU 70 -4.546 -11.215 1.651 531 HG LEU 70 HG LEU 70 -4.249 -10.271 -0.638 532 HD11 LEU 70 1HD1 LEU 70 -3.151 -8.588 1.589 533 HD12 LEU 70 2HD1 LEU 70 -4.848 -8.767 1.140 534 HD13 LEU 70 3HD1 LEU 70 -3.717 -7.982 0.035 535 HD21 LEU 70 1HD2 LEU 70 -1.384 -9.951 0.222 536 HD22 LEU 70 2HD2 LEU 70 -2.115 -9.231 -1.207 537 HD23 LEU 70 3HD2 LEU 70 -1.988 -10.987 -1.075 538 H LYS 71 H LYS 71 -4.191 -11.153 4.081 539 HA LYS 71 HA LYS 71 -4.053 -8.500 4.827 540 HB2 LYS 71 2HB LYS 71 -5.851 -9.977 5.559 541 HB3 LYS 71 1HB LYS 71 -4.719 -10.909 6.525 542 HG2 LYS 71 2HG LYS 71 -4.337 -8.928 7.946 543 HG3 LYS 71 1HG LYS 71 -5.533 -8.045 7.000 544 HD2 LYS 71 2HD LYS 71 -7.257 -9.621 7.652 545 HD3 LYS 71 1HD LYS 71 -6.075 -10.582 8.544 546 HE2 LYS 71 2HE LYS 71 -5.654 -8.644 10.009 547 HE3 LYS 71 1HE LYS 71 -6.868 -7.734 9.113 548 HZ1 LYS 71 1HZ LYS 71 -7.800 -8.612 11.135 549 HZ2 LYS 71 2HZ LYS 71 -7.351 -10.175 10.725 550 HZ3 LYS 71 3HZ LYS 71 -8.523 -9.360 9.813 551 H GLU 72 H GLU 72 -2.421 -11.242 6.431 552 HA GLU 72 HA GLU 72 -0.954 -9.560 8.167 553 HB2 GLU 72 2HB GLU 72 0.425 -11.567 8.674 554 HB3 GLU 72 1HB GLU 72 -1.304 -11.825 8.843 555 HG2 GLU 72 2HG GLU 72 -1.389 -12.995 6.780 556 HG3 GLU 72 1HG GLU 72 0.301 -12.628 6.438 557 H LEU 73 H LEU 73 -0.249 -10.839 4.963 558 HA LEU 73 HA LEU 73 2.455 -10.221 4.839 559 HB2 LEU 73 2HB LEU 73 1.120 -11.533 3.148 560 HB3 LEU 73 1HB LEU 73 0.411 -10.031 2.616 561 HG LEU 73 HG LEU 73 2.665 -9.250 1.929 562 HD11 LEU 73 1HD1 LEU 73 4.005 -10.594 3.439 563 HD12 LEU 73 2HD1 LEU 73 4.466 -10.910 1.763 564 HD13 LEU 73 3HD1 LEU 73 3.455 -12.065 2.639 565 HD21 LEU 73 1HD2 LEU 73 1.141 -10.259 0.332 566 HD22 LEU 73 2HD2 LEU 73 1.729 -11.862 0.758 567 HD23 LEU 73 3HD2 LEU 73 2.807 -10.710 -0.042 568 H GLN 74 H GLN 74 -0.428 -8.289 4.176 569 HA GLN 74 HA GLN 74 0.990 -5.933 3.435 570 HB2 GLN 74 2HB GLN 74 -1.855 -6.228 4.405 571 HB3 GLN 74 1HB GLN 74 -1.177 -4.778 3.682 572 HG2 GLN 74 2HG GLN 74 -1.533 -7.446 2.347 573 HG3 GLN 74 1HG GLN 74 -2.495 -5.996 2.063 574 HE21 GLN 74 1HE2 GLN 74 0.520 -7.587 1.520 575 HE22 GLN 74 2HE2 GLN 74 1.091 -6.494 0.306 576 H ASP 75 H ASP 75 -0.375 -7.128 6.431 577 HA ASP 75 HA ASP 75 -0.108 -4.841 8.033 578 HB2 ASP 75 2HB ASP 75 -1.351 -6.889 8.702 579 HB3 ASP 75 1HB ASP 75 0.179 -7.734 8.887 580 H ILE 76 H ILE 76 2.165 -7.412 7.330 581 HA ILE 76 HA ILE 76 4.243 -6.303 8.977 582 HB ILE 76 HB ILE 76 4.323 -8.493 6.886 583 HG12 ILE 76 2HG1 ILE 76 2.941 -9.083 8.811 584 HG13 ILE 76 1HG1 ILE 76 4.413 -10.041 8.798 585 HG21 ILE 76 1HG2 ILE 76 6.545 -7.544 7.109 586 HG22 ILE 76 2HG2 ILE 76 6.494 -9.151 7.830 587 HG23 ILE 76 3HG2 ILE 76 6.468 -7.722 8.862 588 HD11 ILE 76 1HD1 ILE 76 3.861 -9.351 11.046 589 HD12 ILE 76 2HD1 ILE 76 3.839 -7.659 10.556 590 HD13 ILE 76 3HD1 ILE 76 5.355 -8.565 10.531 591 H ALA 77 H ALA 77 3.489 -6.323 5.527 592 HA ALA 77 HA ALA 77 5.952 -5.201 4.703 593 HB1 ALA 77 1HB ALA 77 3.354 -5.290 3.204 594 HB2 ALA 77 2HB ALA 77 4.579 -6.560 3.227 595 HB3 ALA 77 3HB ALA 77 4.953 -4.987 2.525 596 H ASN 78 H ASN 78 2.802 -3.748 5.413 597 HA ASN 78 HA ASN 78 3.137 -1.348 4.138 598 HB2 ASN 78 2HB ASN 78 0.974 -1.906 4.999 599 HB3 ASN 78 1HB ASN 78 1.539 -1.852 6.661 600 HD21 ASN 78 1HD2 ASN 78 0.709 0.017 3.861 601 HD22 ASN 78 2HD2 ASN 78 0.616 1.551 4.651 602 HA PRO 79 HA PRO 79 5.119 0.862 7.998 603 HB2 PRO 79 2HB PRO 79 6.594 -1.401 9.220 604 HB3 PRO 79 1HB PRO 79 5.732 -0.077 10.011 605 HG2 PRO 79 2HG PRO 79 4.746 -2.562 10.005 606 HG3 PRO 79 1HG PRO 79 3.687 -1.151 9.866 607 HD2 PRO 79 2HD PRO 79 4.599 -3.045 7.753 608 HD3 PRO 79 1HD PRO 79 3.020 -2.271 7.974 609 H ILE 80 H ILE 80 6.618 -2.020 6.681 610 HA ILE 80 HA ILE 80 9.208 -0.939 6.465 611 HB ILE 80 HB ILE 80 7.933 -3.382 5.201 612 HG12 ILE 80 2HG1 ILE 80 9.819 -3.072 7.545 613 HG13 ILE 80 1HG1 ILE 80 8.078 -3.281 7.680 614 HG21 ILE 80 1HG2 ILE 80 10.239 -4.141 4.752 615 HG22 ILE 80 2HG2 ILE 80 10.848 -2.575 5.295 616 HG23 ILE 80 3HG2 ILE 80 9.850 -2.677 3.848 617 HD11 ILE 80 1HD1 ILE 80 10.018 -5.264 6.517 618 HD12 ILE 80 2HD1 ILE 80 8.265 -5.478 6.706 619 HD13 ILE 80 3HD1 ILE 80 9.292 -5.329 8.125 620 H MET 81 H MET 81 6.485 -1.203 4.260 621 HA MET 81 HA MET 81 7.717 -0.129 1.922 622 HB2 MET 81 2HB MET 81 4.842 0.239 2.830 623 HB3 MET 81 1HB MET 81 5.442 0.582 1.232 624 HG2 MET 81 2HG MET 81 5.378 -2.181 2.437 625 HG3 MET 81 1HG MET 81 4.060 -1.498 1.503 626 HE1 MET 81 1HE MET 81 8.012 -3.131 -0.140 627 HE2 MET 81 2HE MET 81 7.458 -3.243 1.532 628 HE3 MET 81 3HE MET 81 8.129 -1.726 0.911 629 H SER 82 H SER 82 6.109 1.369 4.662 630 HA SER 82 HA SER 82 6.116 3.977 3.694 631 HB2 SER 82 2HB SER 82 4.663 3.279 5.512 632 HB3 SER 82 1HB SER 82 6.050 2.902 6.524 633 HG SER 82 HG SER 82 5.609 5.507 5.491 634 H LYS 83 H LYS 83 8.448 2.232 5.762 635 HA LYS 83 HA LYS 83 10.050 4.509 6.049 636 HB2 LYS 83 2HB LYS 83 11.737 3.126 7.019 637 HB3 LYS 83 1HB LYS 83 10.146 2.719 7.672 638 HG2 LYS 83 2HG LYS 83 10.049 0.862 6.141 639 HG3 LYS 83 1HG LYS 83 11.683 1.254 5.596 640 HD2 LYS 83 2HD LYS 83 10.912 0.556 8.422 641 HD3 LYS 83 1HD LYS 83 11.678 -0.574 7.307 642 HE2 LYS 83 2HE LYS 83 13.656 0.858 7.202 643 HE3 LYS 83 1HE LYS 83 12.883 2.037 8.259 644 HZ1 LYS 83 1HZ LYS 83 12.908 0.420 10.047 645 HZ2 LYS 83 2HZ LYS 83 14.482 0.548 9.372 646 HZ3 LYS 83 3HZ LYS 83 13.544 -0.757 9.005 647 H LEU 84 H LEU 84 9.961 1.972 3.718 648 HA LEU 84 HA LEU 84 12.466 2.412 2.505 649 HB2 LEU 84 2HB LEU 84 10.829 0.446 2.185 650 HB3 LEU 84 1HB LEU 84 9.952 1.488 1.098 651 HG LEU 84 HG LEU 84 12.793 0.527 0.675 652 HD11 LEU 84 1HD1 LEU 84 11.828 -0.896 -1.046 653 HD12 LEU 84 2HD1 LEU 84 10.214 -0.360 -0.578 654 HD13 LEU 84 3HD1 LEU 84 11.205 -1.280 0.558 655 HD21 LEU 84 1HD2 LEU 84 10.934 1.981 -1.231 656 HD22 LEU 84 2HD2 LEU 84 12.558 1.395 -1.610 657 HD23 LEU 84 3HD2 LEU 84 12.346 2.687 -0.451 658 H TYR 85 H TYR 85 9.219 3.603 1.685 659 HA TYR 85 HA TYR 85 10.106 5.200 -0.433 660 HB2 TYR 85 2HB TYR 85 7.522 5.239 1.087 661 HB3 TYR 85 1HB TYR 85 7.856 6.352 -0.234 662 HD1 TYR 85 1HD TYR 85 8.808 5.133 -2.417 663 HD2 TYR 85 2HD TYR 85 6.377 3.288 0.545 664 HE1 TYR 85 1HE TYR 85 8.080 3.468 -4.066 665 HE2 TYR 85 2HE TYR 85 5.647 1.610 -1.094 666 HH TYR 85 HH TYR 85 7.143 1.162 -4.116 667 H GLN 86 H GLN 86 9.443 6.159 2.923 668 HA GLN 86 HA GLN 86 9.889 8.893 2.411 669 HB2 GLN 86 2HB GLN 86 10.140 9.174 4.852 670 HB3 GLN 86 1HB GLN 86 8.707 8.251 4.418 671 HG2 GLN 86 2HG GLN 86 9.940 6.192 4.953 672 HG3 GLN 86 1HG GLN 86 11.298 7.170 5.499 673 HE21 GLN 86 1HE2 GLN 86 8.034 6.241 6.128 674 HE22 GLN 86 2HE2 GLN 86 7.967 6.748 7.774 675 H ALA 87 H ALA 87 12.105 6.325 3.165 676 HA ALA 87 HA ALA 87 14.334 7.995 3.713 677 HB1 ALA 87 1HB ALA 87 14.331 5.126 2.777 678 HB2 ALA 87 2HB ALA 87 14.250 5.653 4.455 679 HB3 ALA 87 3HB ALA 87 15.694 5.983 3.495 680 H GLY 88 H GLY 88 13.801 5.922 0.880 681 HA2 GLY 88 2HA GLY 88 14.693 8.067 -0.868 682 HA3 GLY 88 1HA GLY 88 15.811 6.723 -0.699 683 H GLY 89 H GLY 89 12.534 5.903 -0.421 684 HA2 GLY 89 2HA GLY 89 12.727 4.417 -2.869 685 HA3 GLY 89 1HA GLY 89 11.407 4.366 -1.701 686 H ALA 90 H ALA 90 11.248 7.290 -1.687 687 HA ALA 90 HA ALA 90 9.856 7.593 -4.214 688 HB1 ALA 90 1HB ALA 90 9.391 9.164 -1.669 689 HB2 ALA 90 2HB ALA 90 8.439 7.788 -2.221 690 HB3 ALA 90 3HB ALA 90 8.482 9.272 -3.175 691 HA PRO 91 HA PRO 91 12.390 11.688 -3.974 692 HB2 PRO 91 2HB PRO 91 14.553 11.213 -2.063 693 HB3 PRO 91 1HB PRO 91 13.464 12.596 -2.181 694 HG2 PRO 91 2HG PRO 91 13.316 10.824 -0.158 695 HG3 PRO 91 1HG PRO 91 11.887 11.640 -0.816 696 HD2 PRO 91 2HD PRO 91 12.880 8.864 -1.315 697 HD3 PRO 91 1HD PRO 91 11.225 9.437 -1.056 698 H GLY 92 H GLY 92 14.512 12.219 -4.870 699 HA2 GLY 92 2HA GLY 92 16.529 11.698 -5.895 700 HA3 GLY 92 1HA GLY 92 16.284 10.006 -5.469 701 H GLY 93 H GLY 93 14.696 8.832 -6.631 702 HA2 GLY 93 2HA GLY 93 13.249 8.626 -8.555 703 HA3 GLY 93 1HA GLY 93 14.227 9.859 -9.351 704 H ALA 94 H ALA 94 13.702 7.352 -10.498 705 HA ALA 94 HA ALA 94 16.420 6.311 -10.601 706 HB1 ALA 94 1HB ALA 94 15.260 4.876 -9.007 707 HB2 ALA 94 2HB ALA 94 15.621 3.997 -10.498 708 HB3 ALA 94 3HB ALA 94 13.988 4.577 -10.189 709 H ALA 95 H ALA 95 16.750 7.056 -12.617 710 HA ALA 95 HA ALA 95 15.666 5.620 -14.814 711 HB1 ALA 95 1HB ALA 95 14.617 7.495 -15.998 712 HB2 ALA 95 2HB ALA 95 14.873 8.526 -14.590 713 HB3 ALA 95 3HB ALA 95 13.778 7.145 -14.486 714 H GLY 96 H GLY 96 17.068 8.700 -13.873 715 HA2 GLY 96 2HA GLY 96 19.517 8.851 -14.353 716 HA3 GLY 96 1HA GLY 96 19.058 8.412 -15.998 717 H GLY 97 H GLY 97 20.091 10.894 -14.523 718 HA2 GLY 97 2HA GLY 97 19.495 12.888 -16.152 719 HA3 GLY 97 1HA GLY 97 18.028 12.824 -15.176 720 H ALA 98 H ALA 98 21.395 12.277 -14.321 721 HA ALA 98 HA ALA 98 21.137 14.392 -12.313 722 HB1 ALA 98 1HB ALA 98 22.841 11.900 -12.253 723 HB2 ALA 98 2HB ALA 98 21.365 12.162 -11.323 724 HB3 ALA 98 3HB ALA 98 22.797 13.142 -11.004 725 HA PRO 99 HA PRO 99 24.332 16.119 -15.038 726 HB2 PRO 99 2HB PRO 99 24.063 18.494 -13.338 727 HB3 PRO 99 1HB PRO 99 23.752 18.330 -15.067 728 HG2 PRO 99 2HG PRO 99 21.772 18.682 -13.252 729 HG3 PRO 99 1HG PRO 99 21.548 17.770 -14.754 730 HD2 PRO 99 2HD PRO 99 21.954 16.780 -11.965 731 HD3 PRO 99 1HD PRO 99 20.907 16.155 -13.260 732 H GLY 100 H GLY 100 24.150 16.088 -11.571 733 HA2 GLY 100 2HA GLY 100 27.090 16.106 -11.455 734 HA3 GLY 100 1HA GLY 100 26.081 16.840 -10.213 735 H GLY 101 H GLY 101 24.232 15.114 -9.573 736 HA2 GLY 101 2HA GLY 101 24.486 12.454 -9.520 737 HA3 GLY 101 1HA GLY 101 25.705 12.964 -8.355 Start of MODEL 12 1 H1 SER 1 1HT SER 1 -20.628 -28.194 -10.023 2 H2 SER 1 2HT SER 1 -21.140 -27.738 -11.571 3 H3 SER 1 3HT SER 1 -21.976 -28.962 -10.709 4 HA SER 1 HA SER 1 -23.206 -26.983 -10.667 5 HB2 SER 1 2HB SER 1 -21.802 -27.543 -8.046 6 HB3 SER 1 1HB SER 1 -23.398 -26.818 -8.238 7 HG SER 1 HG SER 1 -23.001 -29.286 -7.907 8 H LYS 2 H LYS 2 -23.286 -24.694 -10.308 9 HA LYS 2 HA LYS 2 -20.915 -23.442 -11.023 10 HB2 LYS 2 2HB LYS 2 -23.594 -22.357 -10.505 11 HB3 LYS 2 1HB LYS 2 -22.233 -21.251 -10.399 12 HG2 LYS 2 2HG LYS 2 -21.547 -22.117 -12.695 13 HG3 LYS 2 1HG LYS 2 -23.146 -22.861 -12.769 14 HD2 LYS 2 2HD LYS 2 -23.201 -20.702 -13.879 15 HD3 LYS 2 1HD LYS 2 -24.163 -20.643 -12.406 16 HE2 LYS 2 2HE LYS 2 -22.863 -18.610 -12.608 17 HE3 LYS 2 1HE LYS 2 -22.277 -19.515 -11.236 18 HZ1 LYS 2 1HZ LYS 2 -20.319 -20.242 -12.668 19 HZ2 LYS 2 2HZ LYS 2 -20.471 -18.596 -12.510 20 HZ3 LYS 2 3HZ LYS 2 -20.982 -19.318 -13.917 21 H GLU 3 H GLU 3 -22.179 -23.836 -7.793 22 HA GLU 3 HA GLU 3 -20.627 -21.797 -6.639 23 HB2 GLU 3 2HB GLU 3 -22.284 -23.134 -5.305 24 HB3 GLU 3 1HB GLU 3 -21.169 -24.498 -5.355 25 HG2 GLU 3 2HG GLU 3 -19.452 -23.045 -4.261 26 HG3 GLU 3 1HG GLU 3 -20.694 -21.820 -4.068 27 H GLU 4 H GLU 4 -19.795 -25.003 -7.708 28 HA GLU 4 HA GLU 4 -17.184 -25.140 -6.613 29 HB2 GLU 4 2HB GLU 4 -18.213 -26.486 -9.106 30 HB3 GLU 4 1HB GLU 4 -16.893 -27.021 -8.075 31 HG2 GLU 4 2HG GLU 4 -18.464 -27.469 -6.274 32 HG3 GLU 4 1HG GLU 4 -19.786 -26.886 -7.278 33 H ASP 5 H ASP 5 -18.508 -24.321 -9.751 34 HA ASP 5 HA ASP 5 -16.217 -23.698 -11.207 35 HB2 ASP 5 2HB ASP 5 -18.251 -23.901 -12.400 36 HB3 ASP 5 1HB ASP 5 -19.068 -22.769 -11.336 37 H GLU 6 H GLU 6 -18.288 -21.572 -9.308 38 HA GLU 6 HA GLU 6 -16.954 -19.212 -9.680 39 HB2 GLU 6 2HB GLU 6 -19.265 -19.600 -8.926 40 HB3 GLU 6 1HB GLU 6 -18.636 -20.224 -7.412 41 HG2 GLU 6 2HG GLU 6 -17.643 -18.144 -6.941 42 HG3 GLU 6 1HG GLU 6 -18.220 -17.522 -8.505 43 H LYS 7 H LYS 7 -16.836 -21.605 -6.966 44 HA LYS 7 HA LYS 7 -15.122 -20.310 -5.306 45 HB2 LYS 7 2HB LYS 7 -16.607 -22.357 -5.072 46 HB3 LYS 7 1HB LYS 7 -15.254 -23.268 -5.714 47 HG2 LYS 7 2HG LYS 7 -13.869 -22.513 -3.898 48 HG3 LYS 7 1HG LYS 7 -15.246 -21.541 -3.325 49 HD2 LYS 7 2HD LYS 7 -15.257 -24.569 -3.547 50 HD3 LYS 7 1HD LYS 7 -15.008 -23.689 -2.040 51 HE2 LYS 7 2HE LYS 7 -17.240 -22.672 -2.267 52 HE3 LYS 7 1HE LYS 7 -17.474 -23.521 -3.787 53 HZ1 LYS 7 1HZ LYS 7 -17.278 -25.617 -2.557 54 HZ2 LYS 7 2HZ LYS 7 -18.609 -24.698 -2.133 55 HZ3 LYS 7 3HZ LYS 7 -17.266 -24.766 -1.093 56 H GLU 8 H GLU 8 -14.393 -22.666 -7.898 57 HA GLU 8 HA GLU 8 -11.605 -22.695 -7.428 58 HB2 GLU 8 2HB GLU 8 -13.037 -23.260 -10.039 59 HB3 GLU 8 1HB GLU 8 -11.371 -23.672 -9.679 60 HG2 GLU 8 2HG GLU 8 -13.843 -24.856 -8.418 61 HG3 GLU 8 1HG GLU 8 -12.736 -25.619 -9.559 62 H SER 9 H SER 9 -13.644 -20.802 -9.629 63 HA SER 9 HA SER 9 -11.584 -19.476 -10.995 64 HB2 SER 9 2HB SER 9 -14.016 -19.611 -11.672 65 HB3 SER 9 1HB SER 9 -14.354 -18.404 -10.440 66 HG SER 9 HG SER 9 -12.989 -18.177 -12.856 67 H GLN 10 H GLN 10 -13.377 -18.625 -8.059 68 HA GLN 10 HA GLN 10 -12.191 -16.078 -7.708 69 HB2 GLN 10 2HB GLN 10 -13.423 -17.892 -5.619 70 HB3 GLN 10 1HB GLN 10 -13.045 -16.191 -5.404 71 HG2 GLN 10 2HG GLN 10 -15.049 -17.320 -7.344 72 HG3 GLN 10 1HG GLN 10 -15.419 -16.532 -5.812 73 HE21 GLN 10 1HE2 GLN 10 -16.156 -15.881 -8.584 74 HE22 GLN 10 2HE2 GLN 10 -15.652 -14.257 -8.819 75 H ARG 11 H ARG 11 -11.320 -19.317 -6.677 76 HA ARG 11 HA ARG 11 -9.234 -18.554 -4.951 77 HB2 ARG 11 2HB ARG 11 -10.144 -20.812 -4.900 78 HB3 ARG 11 1HB ARG 11 -9.555 -21.103 -6.532 79 HG2 ARG 11 2HG ARG 11 -7.251 -20.832 -5.749 80 HG3 ARG 11 1HG ARG 11 -7.845 -20.562 -4.111 81 HD2 ARG 11 2HD ARG 11 -8.277 -23.049 -5.741 82 HD3 ARG 11 1HD ARG 11 -7.071 -22.858 -4.473 83 HE ARG 11 HE ARG 11 -8.829 -22.589 -2.896 84 HH11 ARG 11 1HH1 ARG 11 -9.808 -23.823 -6.035 85 HH12 ARG 11 2HH1 ARG 11 -11.189 -24.636 -5.503 86 HH21 ARG 11 1HH2 ARG 11 -10.707 -23.744 -2.071 87 HH22 ARG 11 2HH2 ARG 11 -11.685 -24.625 -3.134 88 H ILE 12 H ILE 12 -9.293 -19.274 -8.420 89 HA ILE 12 HA ILE 12 -6.533 -19.144 -8.941 90 HB ILE 12 HB ILE 12 -8.618 -17.937 -10.752 91 HG12 ILE 12 2HG1 ILE 12 -9.410 -20.191 -10.208 92 HG13 ILE 12 1HG1 ILE 12 -8.826 -20.165 -11.864 93 HG21 ILE 12 1HG2 ILE 12 -6.310 -17.492 -11.420 94 HG22 ILE 12 2HG2 ILE 12 -7.078 -18.577 -12.576 95 HG23 ILE 12 3HG2 ILE 12 -5.951 -19.218 -11.385 96 HD11 ILE 12 1HD1 ILE 12 -8.192 -22.207 -10.715 97 HD12 ILE 12 2HD1 ILE 12 -7.362 -21.274 -9.474 98 HD13 ILE 12 3HD1 ILE 12 -6.760 -21.264 -11.136 99 H ALA 13 H ALA 13 -8.992 -16.632 -8.885 100 HA ALA 13 HA ALA 13 -7.335 -14.550 -9.628 101 HB1 ALA 13 1HB ALA 13 -9.892 -14.391 -8.034 102 HB2 ALA 13 2HB ALA 13 -9.763 -14.412 -9.792 103 HB3 ALA 13 3HB ALA 13 -9.119 -13.049 -8.878 104 H SER 14 H SER 14 -8.380 -15.637 -6.408 105 HA SER 14 HA SER 14 -7.006 -13.624 -5.018 106 HB2 SER 14 2HB SER 14 -7.370 -15.192 -3.006 107 HB3 SER 14 1HB SER 14 -8.801 -14.589 -3.841 108 HG SER 14 HG SER 14 -9.093 -16.513 -4.782 109 H LYS 15 H LYS 15 -6.097 -16.940 -5.866 110 HA LYS 15 HA LYS 15 -3.602 -17.022 -4.578 111 HB2 LYS 15 2HB LYS 15 -4.531 -18.342 -7.121 112 HB3 LYS 15 1HB LYS 15 -2.937 -18.592 -6.435 113 HG2 LYS 15 2HG LYS 15 -3.913 -19.534 -4.443 114 HG3 LYS 15 1HG LYS 15 -5.531 -19.221 -5.070 115 HD2 LYS 15 2HD LYS 15 -4.941 -21.564 -5.385 116 HD3 LYS 15 1HD LYS 15 -5.106 -20.754 -6.935 117 HE2 LYS 15 2HE LYS 15 -2.421 -21.133 -5.620 118 HE3 LYS 15 1HE LYS 15 -3.149 -22.397 -6.594 119 HZ1 LYS 15 1HZ LYS 15 -1.593 -21.090 -7.887 120 HZ2 LYS 15 2HZ LYS 15 -2.429 -19.663 -7.653 121 HZ3 LYS 15 3HZ LYS 15 -3.131 -20.928 -8.499 122 H ASN 16 H ASN 16 -4.535 -15.934 -7.782 123 HA ASN 16 HA ASN 16 -2.022 -15.400 -8.832 124 HB2 ASN 16 2HB ASN 16 -4.267 -15.352 -10.031 125 HB3 ASN 16 1HB ASN 16 -4.479 -13.737 -9.371 126 HD21 ASN 16 1HD2 ASN 16 -2.928 -15.664 -11.702 127 HD22 ASN 16 2HD2 ASN 16 -2.115 -14.412 -12.555 128 H GLN 17 H GLN 17 -4.263 -13.233 -7.148 129 HA GLN 17 HA GLN 17 -2.546 -10.996 -7.169 130 HB2 GLN 17 2HB GLN 17 -4.972 -10.790 -6.867 131 HB3 GLN 17 1HB GLN 17 -4.863 -11.643 -5.336 132 HG2 GLN 17 2HG GLN 17 -5.112 -9.314 -4.881 133 HG3 GLN 17 1HG GLN 17 -3.466 -9.775 -4.461 134 HE21 GLN 17 1HE2 GLN 17 -4.526 -7.163 -5.038 135 HE22 GLN 17 2HE2 GLN 17 -3.627 -6.549 -6.379 136 H LEU 18 H LEU 18 -3.182 -13.407 -4.637 137 HA LEU 18 HA LEU 18 -1.608 -12.290 -2.628 138 HB2 LEU 18 2HB LEU 18 -3.256 -14.089 -2.283 139 HB3 LEU 18 1HB LEU 18 -2.278 -15.189 -3.205 140 HG LEU 18 HG LEU 18 -2.324 -15.548 -0.703 141 HD11 LEU 18 1HD1 LEU 18 0.423 -15.073 -1.825 142 HD12 LEU 18 2HD1 LEU 18 -0.559 -16.507 -2.091 143 HD13 LEU 18 3HD1 LEU 18 -0.010 -16.113 -0.463 144 HD21 LEU 18 1HD2 LEU 18 -0.654 -13.036 -0.667 145 HD22 LEU 18 2HD2 LEU 18 -0.875 -14.131 0.689 146 HD23 LEU 18 3HD2 LEU 18 -2.253 -13.252 0.041 147 H GLU 19 H GLU 19 -0.754 -14.614 -5.125 148 HA GLU 19 HA GLU 19 1.926 -14.894 -4.255 149 HB2 GLU 19 2HB GLU 19 0.702 -16.642 -5.461 150 HB3 GLU 19 1HB GLU 19 0.624 -15.610 -6.877 151 HG2 GLU 19 2HG GLU 19 2.941 -15.678 -7.130 152 HG3 GLU 19 1HG GLU 19 3.166 -16.616 -5.647 153 H SER 20 H SER 20 0.383 -12.989 -6.829 154 HA SER 20 HA SER 20 2.765 -11.948 -7.917 155 HB2 SER 20 2HB SER 20 -0.013 -10.757 -7.978 156 HB3 SER 20 1HB SER 20 1.333 -10.258 -9.004 157 HG SER 20 HG SER 20 -0.067 -12.705 -8.956 158 H ILE 21 H ILE 21 0.707 -10.698 -5.275 159 HA ILE 21 HA ILE 21 2.195 -8.314 -5.021 160 HB ILE 21 HB ILE 21 0.405 -9.740 -3.030 161 HG12 ILE 21 2HG1 ILE 21 -0.800 -8.928 -4.987 162 HG13 ILE 21 1HG1 ILE 21 -1.229 -7.972 -3.578 163 HG21 ILE 21 1HG2 ILE 21 0.371 -7.654 -1.737 164 HG22 ILE 21 2HG2 ILE 21 1.595 -6.988 -2.832 165 HG23 ILE 21 3HG2 ILE 21 1.984 -8.378 -1.820 166 HD11 ILE 21 1HD1 ILE 21 0.286 -6.188 -4.360 167 HD12 ILE 21 2HD1 ILE 21 -0.992 -6.559 -5.514 168 HD13 ILE 21 3HD1 ILE 21 0.643 -7.149 -5.797 169 H ALA 22 H ALA 22 2.483 -11.519 -3.585 170 HA ALA 22 HA ALA 22 4.545 -10.892 -1.795 171 HB1 ALA 22 1HB ALA 22 5.024 -13.312 -1.769 172 HB2 ALA 22 2HB ALA 22 4.027 -13.529 -3.202 173 HB3 ALA 22 3HB ALA 22 3.294 -13.017 -1.687 174 H TYR 23 H TYR 23 4.664 -11.933 -5.206 175 HA TYR 23 HA TYR 23 7.469 -11.863 -5.491 176 HB2 TYR 23 2HB TYR 23 5.291 -11.367 -7.512 177 HB3 TYR 23 1HB TYR 23 6.987 -11.263 -7.930 178 HD1 TYR 23 1HD TYR 23 8.338 -13.501 -7.059 179 HD2 TYR 23 2HD TYR 23 4.232 -13.274 -8.135 180 HE1 TYR 23 1HE TYR 23 8.359 -15.897 -7.649 181 HE2 TYR 23 2HE TYR 23 4.240 -15.645 -8.706 182 HH TYR 23 HH TYR 23 6.825 -17.756 -7.936 183 H SER 24 H SER 24 5.041 -9.324 -5.973 184 HA SER 24 HA SER 24 6.774 -7.350 -6.915 185 HB2 SER 24 2HB SER 24 4.191 -7.012 -5.377 186 HB3 SER 24 1HB SER 24 4.992 -5.757 -6.320 187 HG SER 24 HG SER 24 3.889 -8.198 -7.280 188 H LEU 25 H LEU 25 5.773 -8.158 -3.612 189 HA LEU 25 HA LEU 25 7.028 -6.086 -2.225 190 HB2 LEU 25 2HB LEU 25 5.493 -7.810 -1.216 191 HB3 LEU 25 1HB LEU 25 6.795 -8.977 -1.397 192 HG LEU 25 HG LEU 25 8.175 -7.768 0.203 193 HD11 LEU 25 1HD1 LEU 25 7.259 -5.890 1.474 194 HD12 LEU 25 2HD1 LEU 25 5.832 -5.885 0.440 195 HD13 LEU 25 3HD1 LEU 25 7.420 -5.505 -0.235 196 HD21 LEU 25 1HD2 LEU 25 5.392 -8.223 1.261 197 HD22 LEU 25 2HD2 LEU 25 6.870 -8.157 2.219 198 HD23 LEU 25 3HD2 LEU 25 6.626 -9.466 1.068 199 H LYS 26 H LYS 26 8.220 -9.325 -3.066 200 HA LYS 26 HA LYS 26 10.781 -9.108 -2.005 201 HB2 LYS 26 2HB LYS 26 9.858 -10.646 -4.411 202 HB3 LYS 26 1HB LYS 26 11.447 -10.780 -3.680 203 HG2 LYS 26 2HG LYS 26 10.447 -11.585 -1.626 204 HG3 LYS 26 1HG LYS 26 8.841 -11.412 -2.346 205 HD2 LYS 26 2HD LYS 26 9.704 -13.759 -2.458 206 HD3 LYS 26 1HD LYS 26 9.374 -13.068 -4.047 207 HE2 LYS 26 2HE LYS 26 11.749 -12.589 -4.367 208 HE3 LYS 26 1HE LYS 26 12.117 -13.203 -2.754 209 HZ1 LYS 26 1HZ LYS 26 12.586 -14.723 -4.615 210 HZ2 LYS 26 2HZ LYS 26 10.943 -14.858 -4.934 211 HZ3 LYS 26 3HZ LYS 26 11.589 -15.389 -3.459 212 H ASN 27 H ASN 27 9.660 -8.447 -5.288 213 HA ASN 27 HA ASN 27 12.180 -7.788 -6.327 214 HB2 ASN 27 2HB ASN 27 9.466 -6.877 -7.298 215 HB3 ASN 27 1HB ASN 27 10.962 -6.679 -8.196 216 HD21 ASN 27 1HD2 ASN 27 8.636 -8.015 -9.047 217 HD22 ASN 27 2HD2 ASN 27 9.008 -9.679 -9.320 218 H THR 28 H THR 28 9.702 -5.803 -4.817 219 HA THR 28 HA THR 28 10.887 -3.306 -5.319 220 HB THR 28 HB THR 28 9.158 -4.083 -2.957 221 HG1 THR 28 1HG THR 28 8.227 -4.506 -5.038 222 HG21 THR 28 1HG2 THR 28 8.540 -1.700 -2.919 223 HG22 THR 28 2HG2 THR 28 9.666 -1.387 -4.240 224 HG23 THR 28 3HG2 THR 28 10.275 -1.908 -2.669 225 H ILE 29 H ILE 29 11.211 -5.568 -2.603 226 HA ILE 29 HA ILE 29 12.896 -3.816 -1.108 227 HB ILE 29 HB ILE 29 12.843 -6.829 -0.685 228 HG12 ILE 29 2HG1 ILE 29 10.493 -6.064 -0.822 229 HG13 ILE 29 1HG1 ILE 29 10.928 -6.500 0.820 230 HG21 ILE 29 1HG2 ILE 29 13.114 -4.597 1.268 231 HG22 ILE 29 2HG2 ILE 29 14.437 -5.377 0.430 232 HG23 ILE 29 3HG2 ILE 29 13.409 -6.333 1.518 233 HD11 ILE 29 1HD1 ILE 29 11.182 -4.111 1.357 234 HD12 ILE 29 2HD1 ILE 29 9.560 -4.508 0.788 235 HD13 ILE 29 3HD1 ILE 29 10.701 -3.707 -0.292 236 H SER 30 H SER 30 13.416 -6.181 -3.563 237 HA SER 30 HA SER 30 16.208 -6.522 -3.127 238 HB2 SER 30 2HB SER 30 14.602 -6.974 -5.657 239 HB3 SER 30 1HB SER 30 16.214 -7.613 -5.317 240 HG SER 30 HG SER 30 13.891 -8.147 -3.778 241 H GLU 31 H GLU 31 14.266 -4.477 -5.306 242 HA GLU 31 HA GLU 31 16.568 -3.316 -6.508 243 HB2 GLU 31 2HB GLU 31 14.997 -1.872 -7.705 244 HB3 GLU 31 1HB GLU 31 14.477 -3.543 -7.760 245 HG2 GLU 31 2HG GLU 31 12.856 -3.050 -5.952 246 HG3 GLU 31 1HG GLU 31 13.335 -1.356 -6.023 247 H ALA 32 H ALA 32 14.477 -2.456 -3.875 248 HA ALA 32 HA ALA 32 15.642 0.181 -3.580 249 HB1 ALA 32 1HB ALA 32 13.970 0.540 -1.877 250 HB2 ALA 32 2HB ALA 32 13.487 -1.155 -1.966 251 HB3 ALA 32 3HB ALA 32 13.222 -0.090 -3.346 252 H GLY 33 H GLY 33 16.627 -2.758 -2.740 253 HA2 GLY 33 2HA GLY 33 17.075 -2.885 -0.013 254 HA3 GLY 33 1HA GLY 33 18.089 -3.640 -1.221 255 H ASP 34 H ASP 34 18.630 -0.723 -2.153 256 HA ASP 34 HA ASP 34 21.009 -0.301 -0.624 257 HB2 ASP 34 2HB ASP 34 20.989 0.318 -2.964 258 HB3 ASP 34 1HB ASP 34 19.614 1.387 -2.719 259 H LYS 35 H LYS 35 17.760 0.764 -0.462 260 HA LYS 35 HA LYS 35 18.341 2.985 1.350 261 HB2 LYS 35 2HB LYS 35 15.679 2.006 0.306 262 HB3 LYS 35 1HB LYS 35 15.983 3.517 1.146 263 HG2 LYS 35 2HG LYS 35 17.032 2.759 -1.571 264 HG3 LYS 35 1HG LYS 35 15.690 3.860 -1.252 265 HD2 LYS 35 2HD LYS 35 17.251 5.349 -0.043 266 HD3 LYS 35 1HD LYS 35 18.558 4.218 -0.429 267 HE2 LYS 35 2HE LYS 35 18.237 4.587 -2.784 268 HE3 LYS 35 1HE LYS 35 16.860 5.638 -2.464 269 HZ1 LYS 35 1HZ LYS 35 18.321 7.228 -1.414 270 HZ2 LYS 35 2HZ LYS 35 18.931 6.882 -2.934 271 HZ3 LYS 35 3HZ LYS 35 19.647 6.213 -1.569 272 H LEU 36 H LEU 36 16.900 -0.199 1.243 273 HA LEU 36 HA LEU 36 15.894 -0.001 3.950 274 HB2 LEU 36 2HB LEU 36 15.796 -2.262 1.961 275 HB3 LEU 36 1HB LEU 36 14.996 -2.259 3.525 276 HG LEU 36 HG LEU 36 14.394 -0.328 1.277 277 HD11 LEU 36 1HD1 LEU 36 12.838 -2.691 2.277 278 HD12 LEU 36 2HD1 LEU 36 13.684 -2.572 0.732 279 HD13 LEU 36 3HD1 LEU 36 12.299 -1.534 1.061 280 HD21 LEU 36 1HD2 LEU 36 12.456 0.287 2.651 281 HD22 LEU 36 2HD2 LEU 36 13.975 0.653 3.457 282 HD23 LEU 36 3HD2 LEU 36 13.043 -0.766 3.938 283 H GLU 37 H GLU 37 16.334 -1.831 5.478 284 HA GLU 37 HA GLU 37 19.240 -2.112 5.540 285 HB2 GLU 37 2HB GLU 37 17.199 -2.052 7.750 286 HB3 GLU 37 1HB GLU 37 18.940 -2.209 7.978 287 HG2 GLU 37 2HG GLU 37 19.298 -0.008 7.087 288 HG3 GLU 37 1HG GLU 37 17.600 0.122 6.642 289 H GLN 38 H GLN 38 20.043 -4.102 6.524 290 HA GLN 38 HA GLN 38 19.179 -6.176 4.896 291 HB2 GLN 38 2HB GLN 38 21.455 -5.713 6.224 292 HB3 GLN 38 1HB GLN 38 20.773 -6.956 7.262 293 HG2 GLN 38 2HG GLN 38 21.192 -7.267 4.282 294 HG3 GLN 38 1HG GLN 38 22.315 -7.812 5.515 295 HE21 GLN 38 1HE2 GLN 38 20.383 -8.875 7.326 296 HE22 GLN 38 2HE2 GLN 38 19.699 -10.266 6.573 297 H ALA 39 H ALA 39 18.547 -5.869 8.421 298 HA ALA 39 HA ALA 39 17.425 -8.472 8.555 299 HB1 ALA 39 1HB ALA 39 16.989 -6.194 10.495 300 HB2 ALA 39 2HB ALA 39 18.339 -7.326 10.545 301 HB3 ALA 39 3HB ALA 39 16.694 -7.906 10.791 302 H ASP 40 H ASP 40 15.968 -5.274 8.289 303 HA ASP 40 HA ASP 40 13.346 -6.360 8.220 304 HB2 ASP 40 2HB ASP 40 12.608 -4.088 7.357 305 HB3 ASP 40 1HB ASP 40 13.372 -4.104 8.935 306 H LYS 41 H LYS 41 15.581 -5.436 5.740 307 HA LYS 41 HA LYS 41 14.148 -5.837 3.418 308 HB2 LYS 41 2HB LYS 41 16.457 -5.032 3.594 309 HB3 LYS 41 1HB LYS 41 16.977 -6.622 4.090 310 HG2 LYS 41 2HG LYS 41 16.291 -7.462 1.839 311 HG3 LYS 41 1HG LYS 41 15.980 -5.794 1.373 312 HD2 LYS 41 2HD LYS 41 18.288 -5.196 2.050 313 HD3 LYS 41 1HD LYS 41 18.602 -6.898 2.361 314 HE2 LYS 41 2HE LYS 41 18.055 -7.349 -0.032 315 HE3 LYS 41 1HE LYS 41 17.937 -5.597 -0.257 316 HZ1 LYS 41 1HZ LYS 41 20.335 -7.089 0.631 317 HZ2 LYS 41 2HZ LYS 41 20.252 -5.425 0.549 318 HZ3 LYS 41 3HZ LYS 41 20.146 -6.332 -0.869 319 H ASP 42 H ASP 42 15.939 -8.197 5.373 320 HA ASP 42 HA ASP 42 15.297 -10.499 3.785 321 HB2 ASP 42 2HB ASP 42 17.281 -10.311 5.310 322 HB3 ASP 42 1HB ASP 42 16.178 -10.364 6.678 323 H THR 43 H THR 43 13.897 -9.053 6.641 324 HA THR 43 HA THR 43 12.124 -11.118 7.260 325 HB THR 43 HB THR 43 11.750 -8.139 7.726 326 HG1 THR 43 1HG THR 43 13.654 -9.084 8.680 327 HG21 THR 43 1HG2 THR 43 9.641 -9.393 7.980 328 HG22 THR 43 2HG2 THR 43 10.231 -8.821 9.543 329 HG23 THR 43 3HG2 THR 43 10.440 -10.510 9.086 330 H VAL 44 H VAL 44 11.482 -8.196 5.274 331 HA VAL 44 HA VAL 44 8.867 -9.027 4.614 332 HB VAL 44 HB VAL 44 9.218 -7.491 2.541 333 HG11 VAL 44 1HG1 VAL 44 8.689 -5.534 3.987 334 HG12 VAL 44 2HG1 VAL 44 9.239 -6.458 5.384 335 HG13 VAL 44 3HG1 VAL 44 7.804 -6.973 4.495 336 HG21 VAL 44 1HG2 VAL 44 10.875 -5.731 2.939 337 HG22 VAL 44 2HG2 VAL 44 11.620 -7.315 2.713 338 HG23 VAL 44 3HG2 VAL 44 11.479 -6.628 4.328 339 H THR 45 H THR 45 11.832 -9.380 2.782 340 HA THR 45 HA THR 45 10.672 -10.532 0.540 341 HB THR 45 HB THR 45 12.883 -11.596 0.214 342 HG1 THR 45 1HG THR 45 13.807 -9.848 2.252 343 HG21 THR 45 1HG2 THR 45 12.691 -8.610 0.577 344 HG22 THR 45 2HG2 THR 45 12.373 -9.533 -0.901 345 HG23 THR 45 3HG2 THR 45 14.015 -9.397 -0.276 346 H LYS 46 H LYS 46 12.162 -12.167 3.351 347 HA LYS 46 HA LYS 46 11.351 -14.673 2.338 348 HB2 LYS 46 2HB LYS 46 12.398 -13.913 5.043 349 HB3 LYS 46 1HB LYS 46 11.920 -15.563 4.650 350 HG2 LYS 46 2HG LYS 46 13.501 -15.523 2.748 351 HG3 LYS 46 1HG LYS 46 14.035 -13.929 3.273 352 HD2 LYS 46 2HD LYS 46 14.816 -14.839 5.370 353 HD3 LYS 46 1HD LYS 46 14.161 -16.425 4.958 354 HE2 LYS 46 2HE LYS 46 16.567 -16.372 4.560 355 HE3 LYS 46 1HE LYS 46 15.684 -16.566 3.056 356 HZ1 LYS 46 1HZ LYS 46 17.479 -14.964 2.845 357 HZ2 LYS 46 2HZ LYS 46 16.812 -14.011 4.065 358 HZ3 LYS 46 3HZ LYS 46 15.993 -14.201 2.622 359 H LYS 47 H LYS 47 9.754 -12.399 4.427 360 HA LYS 47 HA LYS 47 7.630 -14.048 5.189 361 HB2 LYS 47 2HB LYS 47 7.840 -11.090 4.717 362 HB3 LYS 47 1HB LYS 47 6.254 -11.800 4.958 363 HG2 LYS 47 2HG LYS 47 8.387 -12.413 6.937 364 HG3 LYS 47 1HG LYS 47 7.681 -10.804 6.950 365 HD2 LYS 47 2HD LYS 47 6.575 -12.371 8.535 366 HD3 LYS 47 1HD LYS 47 5.475 -11.720 7.331 367 HE2 LYS 47 2HE LYS 47 5.473 -13.759 6.121 368 HE3 LYS 47 1HE LYS 47 6.782 -14.433 7.101 369 HZ1 LYS 47 1HZ LYS 47 4.615 -15.295 7.793 370 HZ2 LYS 47 2HZ LYS 47 4.060 -13.735 8.078 371 HZ3 LYS 47 3HZ LYS 47 5.306 -14.368 9.007 372 H ALA 48 H ALA 48 8.310 -12.411 2.179 373 HA ALA 48 HA ALA 48 5.739 -12.956 1.046 374 HB1 ALA 48 1HB ALA 48 8.341 -12.292 -0.321 375 HB2 ALA 48 2HB ALA 48 7.173 -11.109 0.255 376 HB3 ALA 48 3HB ALA 48 6.737 -12.216 -1.047 377 H GLU 49 H GLU 49 8.888 -14.517 0.958 378 HA GLU 49 HA GLU 49 8.034 -16.491 -0.873 379 HB2 GLU 49 2HB GLU 49 10.350 -16.608 1.056 380 HB3 GLU 49 1HB GLU 49 10.095 -17.697 -0.309 381 HG2 GLU 49 2HG GLU 49 10.089 -15.669 -1.774 382 HG3 GLU 49 1HG GLU 49 10.657 -14.755 -0.381 383 H GLU 50 H GLU 50 7.952 -16.302 2.619 384 HA GLU 50 HA GLU 50 7.048 -18.960 2.985 385 HB2 GLU 50 2HB GLU 50 6.785 -16.509 4.725 386 HB3 GLU 50 1HB GLU 50 6.211 -18.098 5.204 387 HG2 GLU 50 2HG GLU 50 9.054 -17.369 4.552 388 HG3 GLU 50 1HG GLU 50 8.391 -17.608 6.168 389 H THR 51 H THR 51 5.522 -15.958 2.186 390 HA THR 51 HA THR 51 2.919 -16.862 2.594 391 HB THR 51 HB THR 51 3.921 -14.642 0.823 392 HG1 THR 51 1HG THR 51 4.425 -14.300 3.015 393 HG21 THR 51 1HG2 THR 51 1.158 -15.160 1.919 394 HG22 THR 51 2HG2 THR 51 1.652 -15.245 0.226 395 HG23 THR 51 3HG2 THR 51 1.658 -13.698 1.067 396 H ILE 52 H ILE 52 5.016 -16.706 -0.222 397 HA ILE 52 HA ILE 52 3.271 -17.837 -2.118 398 HB ILE 52 HB ILE 52 6.316 -17.868 -2.014 399 HG12 ILE 52 2HG1 ILE 52 4.409 -16.077 -3.532 400 HG13 ILE 52 1HG1 ILE 52 5.275 -15.634 -2.068 401 HG21 ILE 52 1HG2 ILE 52 6.255 -18.324 -4.417 402 HG22 ILE 52 2HG2 ILE 52 4.500 -18.454 -4.347 403 HG23 ILE 52 3HG2 ILE 52 5.505 -19.633 -3.499 404 HD11 ILE 52 1HD1 ILE 52 6.328 -14.704 -4.046 405 HD12 ILE 52 2HD1 ILE 52 6.520 -16.324 -4.718 406 HD13 ILE 52 3HD1 ILE 52 7.390 -15.866 -3.253 407 H SER 53 H SER 53 5.628 -19.287 0.085 408 HA SER 53 HA SER 53 5.289 -21.954 -0.697 409 HB2 SER 53 2HB SER 53 6.121 -20.845 1.991 410 HB3 SER 53 1HB SER 53 6.346 -22.510 1.453 411 HG SER 53 HG SER 53 7.628 -20.163 0.616 412 H TRP 54 H TRP 54 3.586 -19.969 1.724 413 HA TRP 54 HA TRP 54 2.022 -21.962 2.867 414 HB2 TRP 54 2HB TRP 54 2.098 -19.624 3.726 415 HB3 TRP 54 1HB TRP 54 1.192 -19.079 2.329 416 HD1 TRP 54 HD TRP 54 0.763 -20.997 5.613 417 HE1 TRP 54 1HE TRP 54 -1.740 -21.249 6.128 418 HE3 TRP 54 3HE TRP 54 -1.171 -19.168 1.239 419 HZ2 TRP 54 2HZ TRP 54 -4.225 -20.734 4.848 420 HZ3 TRP 54 3HZ TRP 54 -3.612 -19.091 0.980 421 HH2 TRP 54 HH TRP 54 -5.099 -19.854 2.747 422 H LEU 55 H LEU 55 1.364 -19.897 0.107 423 HA LEU 55 HA LEU 55 -1.102 -21.009 -0.618 424 HB2 LEU 55 2HB LEU 55 -0.444 -18.835 -1.393 425 HB3 LEU 55 1HB LEU 55 0.985 -19.470 -2.160 426 HG LEU 55 HG LEU 55 -1.754 -20.232 -3.197 427 HD11 LEU 55 1HD1 LEU 55 -1.526 -18.347 -4.763 428 HD12 LEU 55 2HD1 LEU 55 -0.134 -17.766 -3.842 429 HD13 LEU 55 3HD1 LEU 55 -1.739 -17.821 -3.099 430 HD21 LEU 55 1HD2 LEU 55 -0.550 -20.449 -5.280 431 HD22 LEU 55 2HD2 LEU 55 0.225 -21.435 -4.037 432 HD23 LEU 55 3HD2 LEU 55 0.936 -19.888 -4.517 433 H ASP 56 H ASP 56 2.135 -22.036 -1.233 434 HA ASP 56 HA ASP 56 1.551 -23.767 -3.414 435 HB2 ASP 56 2HB ASP 56 3.767 -22.809 -3.157 436 HB3 ASP 56 1HB ASP 56 3.936 -23.551 -1.577 437 H SER 57 H SER 57 1.641 -24.059 0.045 438 HA SER 57 HA SER 57 1.312 -26.922 -0.192 439 HB2 SER 57 2HB SER 57 3.003 -26.014 1.390 440 HB3 SER 57 1HB SER 57 1.707 -25.251 2.304 441 HG SER 57 HG SER 57 2.140 -28.005 1.874 442 H ASN 58 H ASN 58 -0.581 -24.143 0.213 443 HA ASN 58 HA ASN 58 -2.876 -25.666 1.288 444 HB2 ASN 58 2HB ASN 58 -2.104 -22.786 1.848 445 HB3 ASN 58 1HB ASN 58 -3.669 -23.474 2.262 446 HD21 ASN 58 1HD2 ASN 58 -0.308 -23.390 2.995 447 HD22 ASN 58 2HD2 ASN 58 -0.407 -24.179 4.531 448 H THR 59 H THR 59 -2.174 -25.439 -1.395 449 HA THR 59 HA THR 59 -3.191 -23.383 -2.846 450 HB THR 59 HB THR 59 -3.143 -26.287 -3.649 451 HG1 THR 59 1HG THR 59 -1.117 -24.403 -3.048 452 HG21 THR 59 1HG2 THR 59 -2.484 -23.722 -5.046 453 HG22 THR 59 2HG2 THR 59 -3.996 -24.621 -5.262 454 HG23 THR 59 3HG2 THR 59 -2.450 -25.327 -5.783 455 H THR 60 H THR 60 -4.936 -26.015 -1.251 456 HA THR 60 HA THR 60 -7.282 -25.595 -2.856 457 HB THR 60 HB THR 60 -8.123 -27.473 -1.331 458 HG1 THR 60 1HG THR 60 -6.770 -27.645 0.279 459 HG21 THR 60 1HG2 THR 60 -5.737 -27.942 -3.133 460 HG22 THR 60 2HG2 THR 60 -7.412 -27.808 -3.668 461 HG23 THR 60 3HG2 THR 60 -6.915 -29.164 -2.656 462 H ALA 61 H ALA 61 -6.139 -23.738 -0.526 463 HA ALA 61 HA ALA 61 -8.291 -23.703 1.356 464 HB1 ALA 61 1HB ALA 61 -6.043 -22.836 1.925 465 HB2 ALA 61 2HB ALA 61 -7.285 -21.614 2.161 466 HB3 ALA 61 3HB ALA 61 -6.247 -21.551 0.738 467 H SER 62 H SER 62 -9.731 -21.766 1.606 468 HA SER 62 HA SER 62 -10.984 -21.254 -0.932 469 HB2 SER 62 2HB SER 62 -11.700 -20.398 1.875 470 HB3 SER 62 1HB SER 62 -12.728 -20.183 0.458 471 HG SER 62 HG SER 62 -11.962 -22.525 1.788 472 H LYS 63 H LYS 63 -11.749 -18.972 -1.443 473 HA LYS 63 HA LYS 63 -9.582 -17.365 -2.094 474 HB2 LYS 63 2HB LYS 63 -11.214 -15.609 -2.712 475 HB3 LYS 63 1HB LYS 63 -11.689 -17.192 -3.307 476 HG2 LYS 63 2HG LYS 63 -13.342 -17.403 -1.563 477 HG3 LYS 63 1HG LYS 63 -12.791 -15.918 -0.809 478 HD2 LYS 63 2HD LYS 63 -13.523 -14.644 -2.756 479 HD3 LYS 63 1HD LYS 63 -14.025 -16.138 -3.545 480 HE2 LYS 63 2HE LYS 63 -15.927 -14.930 -2.526 481 HE3 LYS 63 1HE LYS 63 -15.698 -16.537 -1.853 482 HZ1 LYS 63 1HZ LYS 63 -14.694 -14.061 -0.509 483 HZ2 LYS 63 2HZ LYS 63 -14.862 -15.618 0.174 484 HZ3 LYS 63 3HZ LYS 63 -16.202 -14.740 -0.266 485 H GLU 64 H GLU 64 -11.744 -17.094 0.649 486 HA GLU 64 HA GLU 64 -10.711 -14.627 1.482 487 HB2 GLU 64 2HB GLU 64 -11.894 -15.183 3.702 488 HB3 GLU 64 1HB GLU 64 -12.840 -14.880 2.253 489 HG2 GLU 64 2HG GLU 64 -11.937 -17.506 2.800 490 HG3 GLU 64 1HG GLU 64 -13.293 -16.953 3.837 491 H GLU 65 H GLU 65 -9.694 -17.831 2.057 492 HA GLU 65 HA GLU 65 -8.142 -17.259 4.366 493 HB2 GLU 65 2HB GLU 65 -7.951 -19.523 2.377 494 HB3 GLU 65 1HB GLU 65 -7.142 -19.484 3.942 495 HG2 GLU 65 2HG GLU 65 -9.325 -19.372 5.052 496 HG3 GLU 65 1HG GLU 65 -10.118 -19.449 3.484 497 H PHE 66 H PHE 66 -7.551 -17.314 0.900 498 HA PHE 66 HA PHE 66 -4.768 -16.709 1.100 499 HB2 PHE 66 2HB PHE 66 -6.707 -16.292 -1.191 500 HB3 PHE 66 1HB PHE 66 -4.982 -15.981 -1.309 501 HD1 PHE 66 1HD PHE 66 -3.394 -17.901 -0.989 502 HD2 PHE 66 2HD PHE 66 -7.577 -18.446 -1.489 503 HE1 PHE 66 1HE PHE 66 -3.010 -20.251 -1.605 504 HE2 PHE 66 2HE PHE 66 -7.198 -20.793 -2.101 505 HZ PHE 66 HZ PHE 66 -4.917 -21.698 -2.161 506 H ASP 67 H ASP 67 -7.694 -14.837 0.831 507 HA ASP 67 HA ASP 67 -6.528 -12.296 0.562 508 HB2 ASP 67 2HB ASP 67 -8.910 -12.728 0.121 509 HB3 ASP 67 1HB ASP 67 -9.166 -13.028 1.837 510 H ASP 68 H ASP 68 -7.358 -14.177 3.443 511 HA ASP 68 HA ASP 68 -6.626 -12.161 5.276 512 HB2 ASP 68 2HB ASP 68 -6.845 -15.142 5.613 513 HB3 ASP 68 1HB ASP 68 -6.237 -14.123 6.917 514 H LYS 69 H LYS 69 -4.749 -14.715 3.807 515 HA LYS 69 HA LYS 69 -2.353 -14.146 5.158 516 HB2 LYS 69 2HB LYS 69 -2.823 -15.372 2.453 517 HB3 LYS 69 1HB LYS 69 -1.244 -15.296 3.221 518 HG2 LYS 69 2HG LYS 69 -3.670 -16.697 4.334 519 HG3 LYS 69 1HG LYS 69 -2.327 -17.479 3.507 520 HD2 LYS 69 2HD LYS 69 -2.108 -15.916 6.096 521 HD3 LYS 69 1HD LYS 69 -2.178 -17.669 5.949 522 HE2 LYS 69 2HE LYS 69 -0.099 -17.670 4.668 523 HE3 LYS 69 1HE LYS 69 -0.027 -15.913 4.758 524 HZ1 LYS 69 1HZ LYS 69 1.394 -17.024 6.396 525 HZ2 LYS 69 2HZ LYS 69 0.041 -17.689 7.153 526 HZ3 LYS 69 3HZ LYS 69 0.263 -16.010 7.092 527 H LEU 70 H LEU 70 -3.747 -12.804 2.257 528 HA LEU 70 HA LEU 70 -1.543 -11.263 1.443 529 HB2 LEU 70 2HB LEU 70 -3.612 -11.749 0.069 530 HB3 LEU 70 1HB LEU 70 -4.487 -10.636 1.077 531 HG LEU 70 HG LEU 70 -3.824 -9.797 -1.221 532 HD11 LEU 70 1HD1 LEU 70 -4.517 -8.223 0.495 533 HD12 LEU 70 2HD1 LEU 70 -3.222 -7.546 -0.493 534 HD13 LEU 70 3HD1 LEU 70 -2.869 -8.164 1.121 535 HD21 LEU 70 1HD2 LEU 70 -1.541 -8.980 -1.515 536 HD22 LEU 70 2HD2 LEU 70 -1.580 -10.730 -1.294 537 HD23 LEU 70 3HD2 LEU 70 -1.088 -9.683 0.036 538 H LYS 71 H LYS 71 -4.242 -10.548 3.574 539 HA LYS 71 HA LYS 71 -3.488 -7.877 4.010 540 HB2 LYS 71 2HB LYS 71 -5.282 -9.631 5.677 541 HB3 LYS 71 1HB LYS 71 -5.081 -7.897 5.902 542 HG2 LYS 71 2HG LYS 71 -5.870 -7.581 3.549 543 HG3 LYS 71 1HG LYS 71 -6.253 -9.299 3.512 544 HD2 LYS 71 2HD LYS 71 -7.414 -7.259 5.418 545 HD3 LYS 71 1HD LYS 71 -8.223 -7.946 4.012 546 HE2 LYS 71 2HE LYS 71 -7.289 -9.483 6.435 547 HE3 LYS 71 1HE LYS 71 -8.947 -8.993 6.119 548 HZ1 LYS 71 1HZ LYS 71 -7.355 -10.820 4.407 549 HZ2 LYS 71 2HZ LYS 71 -8.931 -10.389 4.119 550 HZ3 LYS 71 3HZ LYS 71 -8.541 -11.308 5.500 551 H GLU 72 H GLU 72 -2.788 -10.836 5.884 552 HA GLU 72 HA GLU 72 -1.406 -9.347 7.875 553 HB2 GLU 72 2HB GLU 72 -0.455 -11.497 8.646 554 HB3 GLU 72 1HB GLU 72 -2.204 -11.526 8.503 555 HG2 GLU 72 2HG GLU 72 -2.163 -12.905 6.684 556 HG3 GLU 72 1HG GLU 72 -0.493 -12.509 6.270 557 H LEU 73 H LEU 73 -0.394 -10.791 4.824 558 HA LEU 73 HA LEU 73 2.345 -10.548 5.254 559 HB2 LEU 73 2HB LEU 73 1.286 -11.909 3.429 560 HB3 LEU 73 1HB LEU 73 0.761 -10.454 2.648 561 HG LEU 73 HG LEU 73 2.794 -11.714 1.708 562 HD11 LEU 73 1HD1 LEU 73 2.114 -9.492 0.947 563 HD12 LEU 73 2HD1 LEU 73 3.871 -9.649 0.983 564 HD13 LEU 73 3HD1 LEU 73 3.031 -8.759 2.261 565 HD21 LEU 73 1HD2 LEU 73 4.117 -10.262 3.984 566 HD22 LEU 73 2HD2 LEU 73 4.955 -11.096 2.669 567 HD23 LEU 73 3HD2 LEU 73 3.959 -12.009 3.812 568 H GLN 74 H GLN 74 -0.049 -8.336 3.904 569 HA GLN 74 HA GLN 74 1.800 -6.208 3.575 570 HB2 GLN 74 2HB GLN 74 -1.207 -6.254 3.680 571 HB3 GLN 74 1HB GLN 74 -0.308 -4.754 3.511 572 HG2 GLN 74 2HG GLN 74 -0.171 -7.095 1.622 573 HG3 GLN 74 1HG GLN 74 -1.100 -5.620 1.360 574 HE21 GLN 74 1HE2 GLN 74 2.085 -7.022 1.427 575 HE22 GLN 74 2HE2 GLN 74 2.894 -5.676 0.697 576 H ASP 75 H ASP 75 -0.121 -7.303 6.252 577 HA ASP 75 HA ASP 75 0.052 -5.061 7.936 578 HB2 ASP 75 2HB ASP 75 -1.409 -6.965 8.468 579 HB3 ASP 75 1HB ASP 75 0.002 -7.995 8.683 580 H ILE 76 H ILE 76 2.132 -7.909 7.756 581 HA ILE 76 HA ILE 76 4.035 -6.981 9.646 582 HB ILE 76 HB ILE 76 4.391 -9.047 7.451 583 HG12 ILE 76 2HG1 ILE 76 2.590 -9.664 8.988 584 HG13 ILE 76 1HG1 ILE 76 3.983 -10.715 9.210 585 HG21 ILE 76 1HG2 ILE 76 6.555 -8.271 8.229 586 HG22 ILE 76 2HG2 ILE 76 6.261 -9.917 8.792 587 HG23 ILE 76 3HG2 ILE 76 6.082 -8.559 9.905 588 HD11 ILE 76 1HD1 ILE 76 3.192 -8.410 10.984 589 HD12 ILE 76 2HD1 ILE 76 4.609 -9.436 11.209 590 HD13 ILE 76 3HD1 ILE 76 2.993 -10.126 11.342 591 H ALA 77 H ALA 77 3.845 -6.763 6.144 592 HA ALA 77 HA ALA 77 6.463 -5.735 5.801 593 HB1 ALA 77 1HB ALA 77 5.238 -6.890 4.020 594 HB2 ALA 77 2HB ALA 77 5.821 -5.302 3.519 595 HB3 ALA 77 3HB ALA 77 4.116 -5.532 3.921 596 H ASN 78 H ASN 78 3.433 -4.274 6.565 597 HA ASN 78 HA ASN 78 3.521 -1.767 5.589 598 HB2 ASN 78 2HB ASN 78 1.586 -2.577 6.797 599 HB3 ASN 78 1HB ASN 78 2.487 -2.665 8.291 600 HD21 ASN 78 1HD2 ASN 78 -0.059 -1.284 7.530 601 HD22 ASN 78 2HD2 ASN 78 0.187 0.358 7.990 602 HA PRO 79 HA PRO 79 6.149 0.256 9.134 603 HB2 PRO 79 2HB PRO 79 7.866 -1.446 10.474 604 HB3 PRO 79 1HB PRO 79 6.317 -0.895 11.112 605 HG2 PRO 79 2HG PRO 79 6.991 -3.469 9.737 606 HG3 PRO 79 1HG PRO 79 5.956 -3.191 11.149 607 HD2 PRO 79 2HD PRO 79 4.912 -3.621 8.723 608 HD3 PRO 79 1HD PRO 79 4.172 -2.468 9.853 609 H ILE 80 H ILE 80 7.452 -2.557 7.481 610 HA ILE 80 HA ILE 80 10.054 -1.397 7.058 611 HB ILE 80 HB ILE 80 8.757 -3.849 5.819 612 HG12 ILE 80 2HG1 ILE 80 10.694 -3.613 8.141 613 HG13 ILE 80 1HG1 ILE 80 8.964 -3.830 8.312 614 HG21 ILE 80 1HG2 ILE 80 11.654 -2.953 5.886 615 HG22 ILE 80 2HG2 ILE 80 10.629 -3.028 4.456 616 HG23 ILE 80 3HG2 ILE 80 11.088 -4.512 5.289 617 HD11 ILE 80 1HD1 ILE 80 10.234 -5.895 8.636 618 HD12 ILE 80 2HD1 ILE 80 10.816 -5.792 6.970 619 HD13 ILE 80 3HD1 ILE 80 9.091 -6.001 7.306 620 H MET 81 H MET 81 7.165 -1.860 5.123 621 HA MET 81 HA MET 81 8.245 -0.674 2.801 622 HB2 MET 81 2HB MET 81 5.335 -0.896 3.617 623 HB3 MET 81 1HB MET 81 5.904 -0.442 2.018 624 HG2 MET 81 2HG MET 81 6.328 -3.084 3.385 625 HG3 MET 81 1HG MET 81 5.224 -2.760 2.052 626 HE1 MET 81 1HE MET 81 5.930 -2.469 -0.424 627 HE2 MET 81 2HE MET 81 7.583 -2.335 -0.979 628 HE3 MET 81 3HE MET 81 6.867 -1.012 -0.036 629 H SER 82 H SER 82 6.926 0.593 5.721 630 HA SER 82 HA SER 82 6.422 3.193 4.820 631 HB2 SER 82 2HB SER 82 5.609 2.312 6.988 632 HB3 SER 82 1HB SER 82 7.266 2.284 7.585 633 HG SER 82 HG SER 82 6.348 4.672 6.518 634 H LYS 83 H LYS 83 9.393 1.517 5.798 635 HA LYS 83 HA LYS 83 10.993 3.831 5.929 636 HB2 LYS 83 2HB LYS 83 11.812 1.016 5.151 637 HB3 LYS 83 1HB LYS 83 12.937 2.320 5.479 638 HG2 LYS 83 2HG LYS 83 12.024 2.393 7.809 639 HG3 LYS 83 1HG LYS 83 11.106 0.934 7.427 640 HD2 LYS 83 2HD LYS 83 13.177 -0.251 6.889 641 HD3 LYS 83 1HD LYS 83 14.112 1.205 7.227 642 HE2 LYS 83 2HE LYS 83 13.241 1.142 9.558 643 HE3 LYS 83 1HE LYS 83 12.479 -0.404 9.188 644 HZ1 LYS 83 1HZ LYS 83 14.726 -1.304 8.704 645 HZ2 LYS 83 2HZ LYS 83 14.592 -0.751 10.271 646 HZ3 LYS 83 3HZ LYS 83 15.407 0.175 9.133 647 H LEU 84 H LEU 84 10.175 1.564 3.402 648 HA LEU 84 HA LEU 84 11.619 2.713 1.301 649 HB2 LEU 84 2HB LEU 84 10.646 0.454 1.231 650 HB3 LEU 84 1HB LEU 84 9.044 1.119 1.270 651 HG LEU 84 HG LEU 84 9.862 0.180 -0.961 652 HD11 LEU 84 1HD1 LEU 84 8.880 3.026 -0.965 653 HD12 LEU 84 2HD1 LEU 84 7.880 1.579 -0.864 654 HD13 LEU 84 3HD1 LEU 84 8.811 1.906 -2.327 655 HD21 LEU 84 1HD2 LEU 84 11.445 2.743 -0.988 656 HD22 LEU 84 2HD2 LEU 84 11.235 1.647 -2.354 657 HD23 LEU 84 3HD2 LEU 84 12.102 1.110 -0.916 658 H TYR 85 H TYR 85 8.258 3.279 2.298 659 HA TYR 85 HA TYR 85 7.838 5.188 0.279 660 HB2 TYR 85 2HB TYR 85 6.179 4.447 2.669 661 HB3 TYR 85 1HB TYR 85 5.725 5.789 1.619 662 HD1 TYR 85 1HD TYR 85 5.772 2.185 1.991 663 HD2 TYR 85 2HD TYR 85 5.268 5.343 -0.803 664 HE1 TYR 85 1HE TYR 85 4.738 0.613 0.410 665 HE2 TYR 85 2HE TYR 85 4.232 3.784 -2.392 666 HH TYR 85 HH TYR 85 3.242 0.657 -1.490 667 H GLN 86 H GLN 86 8.826 5.624 3.639 668 HA GLN 86 HA GLN 86 8.612 8.458 3.458 669 HB2 GLN 86 2HB GLN 86 10.253 6.748 5.330 670 HB3 GLN 86 1HB GLN 86 10.099 8.493 5.467 671 HG2 GLN 86 2HG GLN 86 7.702 8.269 5.840 672 HG3 GLN 86 1HG GLN 86 7.829 6.519 5.649 673 HE21 GLN 86 1HE2 GLN 86 6.929 8.103 7.930 674 HE22 GLN 86 2HE2 GLN 86 7.951 7.637 9.245 675 H ALA 87 H ALA 87 10.939 6.196 2.365 676 HA ALA 87 HA ALA 87 13.066 8.058 2.055 677 HB1 ALA 87 1HB ALA 87 14.164 6.316 0.750 678 HB2 ALA 87 2HB ALA 87 12.661 5.393 0.697 679 HB3 ALA 87 3HB ALA 87 13.489 5.640 2.234 680 H GLY 88 H GLY 88 10.767 6.592 -0.240 681 HA2 GLY 88 2HA GLY 88 10.699 9.031 -1.756 682 HA3 GLY 88 1HA GLY 88 11.639 7.768 -2.536 683 H GLY 89 H GLY 89 8.628 7.779 -0.694 684 HA2 GLY 89 2HA GLY 89 7.343 6.686 -3.080 685 HA3 GLY 89 1HA GLY 89 7.299 5.791 -1.564 686 H ALA 90 H ALA 90 6.826 7.778 0.267 687 HA ALA 90 HA ALA 90 4.051 8.010 0.054 688 HB1 ALA 90 1HB ALA 90 4.077 9.123 2.187 689 HB2 ALA 90 2HB ALA 90 5.800 9.455 2.051 690 HB3 ALA 90 3HB ALA 90 5.233 7.796 2.211 691 HA PRO 91 HA PRO 91 4.450 12.717 -0.840 692 HB2 PRO 91 2HB PRO 91 7.198 13.154 -1.802 693 HB3 PRO 91 1HB PRO 91 6.291 14.061 -0.590 694 HG2 PRO 91 2HG PRO 91 8.336 12.513 0.130 695 HG3 PRO 91 1HG PRO 91 6.869 12.609 1.124 696 HD2 PRO 91 2HD PRO 91 7.634 10.504 -0.885 697 HD3 PRO 91 1HD PRO 91 7.074 10.286 0.784 698 H GLY 92 H GLY 92 5.338 10.118 -2.614 699 HA2 GLY 92 2HA GLY 92 4.378 9.685 -4.715 700 HA3 GLY 92 1HA GLY 92 4.399 11.409 -5.046 701 H GLY 93 H GLY 93 5.811 12.065 -6.418 702 HA2 GLY 93 2HA GLY 93 8.388 11.776 -6.805 703 HA3 GLY 93 1HA GLY 93 7.815 10.225 -7.440 704 H ALA 94 H ALA 94 5.362 11.065 -8.346 705 HA ALA 94 HA ALA 94 5.920 13.058 -10.406 706 HB1 ALA 94 1HB ALA 94 4.361 10.466 -10.681 707 HB2 ALA 94 2HB ALA 94 5.912 10.822 -11.439 708 HB3 ALA 94 3HB ALA 94 4.474 11.720 -11.918 709 H ALA 95 H ALA 95 4.143 14.413 -10.802 710 HA ALA 95 HA ALA 95 2.418 15.692 -10.253 711 HB1 ALA 95 1HB ALA 95 0.295 14.690 -9.580 712 HB2 ALA 95 2HB ALA 95 1.112 13.175 -9.197 713 HB3 ALA 95 3HB ALA 95 1.033 13.737 -10.865 714 H GLY 96 H GLY 96 3.803 16.728 -8.810 715 HA2 GLY 96 2HA GLY 96 3.342 16.086 -5.992 716 HA3 GLY 96 1HA GLY 96 4.728 16.970 -6.632 717 H GLY 97 H GLY 97 1.616 17.188 -5.358 718 HA2 GLY 97 2HA GLY 97 1.834 19.968 -5.035 719 HA3 GLY 97 1HA GLY 97 0.743 19.597 -6.368 720 H ALA 98 H ALA 98 -0.106 20.890 -4.111 721 HA ALA 98 HA ALA 98 -1.481 18.925 -2.506 722 HB1 ALA 98 1HB ALA 98 -1.498 21.945 -2.422 723 HB2 ALA 98 2HB ALA 98 -0.511 20.894 -1.413 724 HB3 ALA 98 3HB ALA 98 -2.267 20.881 -1.244 725 HA PRO 99 HA PRO 99 -5.019 19.105 -5.238 726 HB2 PRO 99 2HB PRO 99 -6.615 18.362 -2.858 727 HB3 PRO 99 1HB PRO 99 -6.434 17.508 -4.393 728 HG2 PRO 99 2HG PRO 99 -5.294 16.585 -2.159 729 HG3 PRO 99 1HG PRO 99 -4.499 16.441 -3.736 730 HD2 PRO 99 2HD PRO 99 -3.966 18.386 -1.523 731 HD3 PRO 99 1HD PRO 99 -2.833 17.517 -2.589 732 H GLY 100 H GLY 100 -6.814 20.438 -5.570 733 HA2 GLY 100 2HA GLY 100 -7.426 22.396 -3.505 734 HA3 GLY 100 1HA GLY 100 -6.829 22.989 -5.050 735 H GLY 101 H GLY 101 -9.402 21.214 -3.486 736 HA2 GLY 101 2HA GLY 101 -11.297 22.333 -5.318 737 HA3 GLY 101 1HA GLY 101 -11.131 20.575 -5.388 Start of MODEL 13 1 H1 SER 1 1HT SER 1 -19.867 -27.014 -9.823 2 H2 SER 1 2HT SER 1 -18.760 -26.922 -11.109 3 H3 SER 1 3HT SER 1 -19.811 -28.260 -10.957 4 HA SER 1 HA SER 1 -20.586 -26.734 -12.632 5 HB2 SER 1 2HB SER 1 -22.187 -26.787 -10.068 6 HB3 SER 1 1HB SER 1 -22.851 -26.521 -11.685 7 HG SER 1 HG SER 1 -22.539 -28.803 -10.476 8 H LYS 2 H LYS 2 -22.499 -24.627 -11.582 9 HA LYS 2 HA LYS 2 -20.927 -22.392 -12.008 10 HB2 LYS 2 2HB LYS 2 -23.548 -22.590 -10.521 11 HB3 LYS 2 1HB LYS 2 -22.813 -21.087 -11.033 12 HG2 LYS 2 2HG LYS 2 -23.679 -23.289 -12.904 13 HG3 LYS 2 1HG LYS 2 -24.630 -21.855 -12.515 14 HD2 LYS 2 2HD LYS 2 -22.815 -20.444 -13.409 15 HD3 LYS 2 1HD LYS 2 -21.915 -21.903 -13.823 16 HE2 LYS 2 2HE LYS 2 -23.706 -22.580 -15.348 17 HE3 LYS 2 1HE LYS 2 -24.620 -21.139 -14.909 18 HZ1 LYS 2 1HZ LYS 2 -21.960 -21.102 -16.227 19 HZ2 LYS 2 2HZ LYS 2 -22.889 -19.770 -15.844 20 HZ3 LYS 2 3HZ LYS 2 -23.427 -20.841 -17.013 21 H GLU 3 H GLU 3 -21.779 -23.938 -8.962 22 HA GLU 3 HA GLU 3 -20.853 -21.822 -7.320 23 HB2 GLU 3 2HB GLU 3 -21.184 -23.279 -5.422 24 HB3 GLU 3 1HB GLU 3 -22.527 -23.485 -6.522 25 HG2 GLU 3 2HG GLU 3 -20.222 -25.396 -6.096 26 HG3 GLU 3 1HG GLU 3 -21.885 -25.607 -5.560 27 H GLU 4 H GLU 4 -19.376 -24.928 -8.183 28 HA GLU 4 HA GLU 4 -17.016 -24.449 -6.693 29 HB2 GLU 4 2HB GLU 4 -17.721 -26.699 -7.333 30 HB3 GLU 4 1HB GLU 4 -17.489 -26.310 -9.028 31 HG2 GLU 4 2HG GLU 4 -15.083 -25.983 -8.590 32 HG3 GLU 4 1HG GLU 4 -15.352 -26.447 -6.912 33 H ASP 5 H ASP 5 -17.992 -23.796 -9.960 34 HA ASP 5 HA ASP 5 -15.547 -22.972 -11.040 35 HB2 ASP 5 2HB ASP 5 -17.504 -23.353 -12.426 36 HB3 ASP 5 1HB ASP 5 -18.340 -22.015 -11.649 37 H GLU 6 H GLU 6 -18.056 -21.134 -9.392 38 HA GLU 6 HA GLU 6 -16.696 -18.657 -9.496 39 HB2 GLU 6 2HB GLU 6 -18.830 -19.631 -7.617 40 HB3 GLU 6 1HB GLU 6 -18.195 -17.993 -7.616 41 HG2 GLU 6 2HG GLU 6 -18.968 -17.736 -9.937 42 HG3 GLU 6 1HG GLU 6 -19.659 -19.360 -9.850 43 H LYS 7 H LYS 7 -16.867 -21.179 -7.018 44 HA LYS 7 HA LYS 7 -15.339 -19.862 -5.098 45 HB2 LYS 7 2HB LYS 7 -15.539 -22.829 -5.626 46 HB3 LYS 7 1HB LYS 7 -14.783 -22.121 -4.208 47 HG2 LYS 7 2HG LYS 7 -16.938 -21.122 -3.571 48 HG3 LYS 7 1HG LYS 7 -17.689 -21.855 -4.985 49 HD2 LYS 7 2HD LYS 7 -18.169 -23.221 -3.071 50 HD3 LYS 7 1HD LYS 7 -17.032 -24.088 -4.101 51 HE2 LYS 7 2HE LYS 7 -15.186 -23.355 -2.649 52 HE3 LYS 7 1HE LYS 7 -16.341 -22.527 -1.607 53 HZ1 LYS 7 1HZ LYS 7 -15.727 -24.644 -0.709 54 HZ2 LYS 7 2HZ LYS 7 -16.178 -25.434 -2.125 55 HZ3 LYS 7 3HZ LYS 7 -17.368 -24.707 -1.163 56 H GLU 8 H GLU 8 -14.239 -22.161 -7.605 57 HA GLU 8 HA GLU 8 -11.532 -21.850 -6.999 58 HB2 GLU 8 2HB GLU 8 -13.045 -23.116 -9.146 59 HB3 GLU 8 1HB GLU 8 -11.511 -22.456 -9.684 60 HG2 GLU 8 2HG GLU 8 -11.766 -24.315 -7.322 61 HG3 GLU 8 1HG GLU 8 -11.491 -24.873 -8.967 62 H SER 9 H SER 9 -13.524 -20.026 -9.330 63 HA SER 9 HA SER 9 -11.332 -18.667 -10.449 64 HB2 SER 9 2HB SER 9 -14.161 -17.641 -10.220 65 HB3 SER 9 1HB SER 9 -12.901 -17.089 -11.338 66 HG SER 9 HG SER 9 -14.506 -19.322 -11.402 67 H GLN 10 H GLN 10 -13.380 -17.785 -7.694 68 HA GLN 10 HA GLN 10 -12.104 -15.278 -7.227 69 HB2 GLN 10 2HB GLN 10 -13.762 -17.049 -5.421 70 HB3 GLN 10 1HB GLN 10 -13.216 -15.435 -4.986 71 HG2 GLN 10 2HG GLN 10 -14.970 -16.073 -7.346 72 HG3 GLN 10 1HG GLN 10 -15.544 -15.490 -5.782 73 HE21 GLN 10 1HE2 GLN 10 -15.726 -14.259 -8.452 74 HE22 GLN 10 2HE2 GLN 10 -14.956 -12.725 -8.275 75 H ARG 11 H ARG 11 -11.696 -18.507 -6.106 76 HA ARG 11 HA ARG 11 -9.784 -18.198 -4.057 77 HB2 ARG 11 2HB ARG 11 -11.243 -20.158 -4.911 78 HB3 ARG 11 1HB ARG 11 -9.912 -20.441 -5.998 79 HG2 ARG 11 2HG ARG 11 -8.458 -20.792 -4.015 80 HG3 ARG 11 1HG ARG 11 -9.909 -20.624 -3.005 81 HD2 ARG 11 2HD ARG 11 -11.047 -22.317 -4.327 82 HD3 ARG 11 1HD ARG 11 -9.600 -22.531 -5.290 83 HE ARG 11 HE ARG 11 -9.151 -23.008 -2.542 84 HH11 ARG 11 1HH1 ARG 11 -9.972 -24.399 -5.658 85 HH12 ARG 11 2HH1 ARG 11 -10.323 -25.972 -5.107 86 HH21 ARG 11 1HH2 ARG 11 -9.639 -25.263 -1.686 87 HH22 ARG 11 2HH2 ARG 11 -10.119 -26.463 -2.791 88 H ILE 12 H ILE 12 -9.426 -18.915 -7.532 89 HA ILE 12 HA ILE 12 -6.636 -18.980 -7.692 90 HB ILE 12 HB ILE 12 -8.557 -17.977 -9.806 91 HG12 ILE 12 2HG1 ILE 12 -9.082 -20.268 -9.175 92 HG13 ILE 12 1HG1 ILE 12 -8.356 -20.249 -10.780 93 HG21 ILE 12 1HG2 ILE 12 -6.772 -18.522 -11.436 94 HG22 ILE 12 2HG2 ILE 12 -5.697 -18.929 -10.099 95 HG23 ILE 12 3HG2 ILE 12 -6.264 -17.278 -10.294 96 HD11 ILE 12 1HD1 ILE 12 -7.524 -22.082 -9.426 97 HD12 ILE 12 2HD1 ILE 12 -6.984 -20.923 -8.213 98 HD13 ILE 12 3HD1 ILE 12 -6.235 -20.929 -9.812 99 H ALA 13 H ALA 13 -8.888 -16.301 -7.980 100 HA ALA 13 HA ALA 13 -6.989 -14.505 -8.740 101 HB1 ALA 13 1HB ALA 13 -9.552 -13.922 -7.251 102 HB2 ALA 13 2HB ALA 13 -9.372 -14.046 -9.000 103 HB3 ALA 13 3HB ALA 13 -8.591 -12.727 -8.122 104 H SER 14 H SER 14 -8.202 -15.339 -5.499 105 HA SER 14 HA SER 14 -6.552 -13.545 -4.094 106 HB2 SER 14 2HB SER 14 -7.854 -16.105 -3.176 107 HB3 SER 14 1HB SER 14 -7.183 -14.854 -2.120 108 HG SER 14 HG SER 14 -9.140 -14.152 -2.220 109 H LYS 15 H LYS 15 -6.079 -16.918 -5.114 110 HA LYS 15 HA LYS 15 -3.656 -17.448 -3.756 111 HB2 LYS 15 2HB LYS 15 -4.329 -18.417 -6.576 112 HB3 LYS 15 1HB LYS 15 -3.199 -19.162 -5.465 113 HG2 LYS 15 2HG LYS 15 -5.092 -19.787 -4.003 114 HG3 LYS 15 1HG LYS 15 -6.201 -19.072 -5.169 115 HD2 LYS 15 2HD LYS 15 -5.166 -20.732 -6.878 116 HD3 LYS 15 1HD LYS 15 -4.499 -21.537 -5.448 117 HE2 LYS 15 2HE LYS 15 -6.685 -21.892 -4.548 118 HE3 LYS 15 1HE LYS 15 -7.422 -20.987 -5.876 119 HZ1 LYS 15 1HZ LYS 15 -6.360 -22.810 -7.341 120 HZ2 LYS 15 2HZ LYS 15 -7.727 -23.193 -6.502 121 HZ3 LYS 15 3HZ LYS 15 -6.235 -23.718 -5.933 122 H ASN 16 H ASN 16 -4.319 -16.182 -6.951 123 HA ASN 16 HA ASN 16 -1.680 -15.662 -7.750 124 HB2 ASN 16 2HB ASN 16 -3.820 -15.836 -9.157 125 HB3 ASN 16 1HB ASN 16 -4.108 -14.162 -8.694 126 HD21 ASN 16 1HD2 ASN 16 -2.363 -16.296 -10.634 127 HD22 ASN 16 2HD2 ASN 16 -1.451 -15.144 -11.537 128 H GLN 17 H GLN 17 -4.079 -13.774 -6.018 129 HA GLN 17 HA GLN 17 -2.849 -11.261 -6.173 130 HB2 GLN 17 2HB GLN 17 -5.191 -11.594 -5.474 131 HB3 GLN 17 1HB GLN 17 -4.643 -12.400 -4.018 132 HG2 GLN 17 2HG GLN 17 -5.328 -10.201 -3.427 133 HG3 GLN 17 1HG GLN 17 -3.574 -10.270 -3.319 134 HE21 GLN 17 1HE2 GLN 17 -5.404 -8.014 -3.654 135 HE22 GLN 17 2HE2 GLN 17 -4.865 -7.185 -5.064 136 H LEU 18 H LEU 18 -2.600 -13.764 -3.619 137 HA LEU 18 HA LEU 18 -0.698 -12.134 -2.278 138 HB2 LEU 18 2HB LEU 18 -0.272 -14.060 -0.742 139 HB3 LEU 18 1HB LEU 18 -1.927 -13.536 -0.810 140 HG LEU 18 HG LEU 18 -2.435 -15.546 -2.235 141 HD11 LEU 18 1HD1 LEU 18 -0.156 -15.984 -3.070 142 HD12 LEU 18 2HD1 LEU 18 -0.868 -17.384 -2.265 143 HD13 LEU 18 3HD1 LEU 18 0.339 -16.413 -1.429 144 HD21 LEU 18 1HD2 LEU 18 -2.901 -15.534 0.115 145 HD22 LEU 18 2HD2 LEU 18 -1.240 -16.001 0.468 146 HD23 LEU 18 3HD2 LEU 18 -2.306 -17.127 -0.361 147 H GLU 19 H GLU 19 -0.419 -14.572 -4.629 148 HA GLU 19 HA GLU 19 2.353 -14.992 -4.498 149 HB2 GLU 19 2HB GLU 19 0.876 -16.394 -5.823 150 HB3 GLU 19 1HB GLU 19 0.462 -15.029 -6.847 151 HG2 GLU 19 2HG GLU 19 2.820 -14.913 -7.562 152 HG3 GLU 19 1HG GLU 19 3.136 -16.373 -6.625 153 H SER 20 H SER 20 0.401 -12.697 -6.394 154 HA SER 20 HA SER 20 2.562 -11.520 -7.739 155 HB2 SER 20 2HB SER 20 -0.183 -10.406 -7.160 156 HB3 SER 20 1HB SER 20 0.934 -9.811 -8.395 157 HG SER 20 HG SER 20 -0.520 -12.199 -8.266 158 H ILE 21 H ILE 21 0.758 -10.518 -4.836 159 HA ILE 21 HA ILE 21 2.282 -8.234 -4.449 160 HB ILE 21 HB ILE 21 0.336 -9.772 -2.789 161 HG12 ILE 21 2HG1 ILE 21 -0.770 -7.553 -2.616 162 HG13 ILE 21 1HG1 ILE 21 0.556 -6.844 -3.516 163 HG21 ILE 21 1HG2 ILE 21 0.652 -8.349 -0.830 164 HG22 ILE 21 2HG2 ILE 21 2.083 -7.645 -1.583 165 HG23 ILE 21 3HG2 ILE 21 2.064 -9.355 -1.158 166 HD11 ILE 21 1HD1 ILE 21 -1.409 -7.173 -4.913 167 HD12 ILE 21 2HD1 ILE 21 -1.383 -8.900 -4.555 168 HD13 ILE 21 3HD1 ILE 21 -0.067 -8.174 -5.469 169 H ALA 22 H ALA 22 2.819 -11.566 -3.391 170 HA ALA 22 HA ALA 22 4.957 -11.051 -1.661 171 HB1 ALA 22 1HB ALA 22 3.872 -13.252 -1.826 172 HB2 ALA 22 2HB ALA 22 5.616 -13.385 -2.057 173 HB3 ALA 22 3HB ALA 22 4.534 -13.454 -3.447 174 H TYR 23 H TYR 23 4.952 -11.755 -5.165 175 HA TYR 23 HA TYR 23 7.735 -11.409 -5.479 176 HB2 TYR 23 2HB TYR 23 5.490 -11.213 -7.476 177 HB3 TYR 23 1HB TYR 23 7.168 -10.950 -7.921 178 HD1 TYR 23 1HD TYR 23 4.624 -13.328 -7.769 179 HD2 TYR 23 2HD TYR 23 8.798 -12.886 -7.119 180 HE1 TYR 23 1HE TYR 23 4.931 -15.740 -8.114 181 HE2 TYR 23 2HE TYR 23 9.116 -15.291 -7.464 182 HH TYR 23 HH TYR 23 6.649 -17.261 -8.754 183 H SER 24 H SER 24 5.057 -9.142 -5.752 184 HA SER 24 HA SER 24 6.602 -7.018 -6.699 185 HB2 SER 24 2HB SER 24 4.027 -6.944 -5.121 186 HB3 SER 24 1HB SER 24 4.725 -5.573 -5.991 187 HG SER 24 HG SER 24 4.320 -7.989 -7.358 188 H LEU 25 H LEU 25 5.809 -8.014 -3.396 189 HA LEU 25 HA LEU 25 6.951 -5.877 -2.012 190 HB2 LEU 25 2HB LEU 25 5.529 -7.646 -1.013 191 HB3 LEU 25 1HB LEU 25 6.830 -8.793 -1.252 192 HG LEU 25 HG LEU 25 8.214 -7.582 0.369 193 HD11 LEU 25 1HD1 LEU 25 7.318 -5.329 0.044 194 HD12 LEU 25 2HD1 LEU 25 7.226 -5.806 1.737 195 HD13 LEU 25 3HD1 LEU 25 5.777 -5.833 0.735 196 HD21 LEU 25 1HD2 LEU 25 6.917 -8.164 2.366 197 HD22 LEU 25 2HD2 LEU 25 6.780 -9.408 1.123 198 HD23 LEU 25 3HD2 LEU 25 5.465 -8.257 1.378 199 H LYS 26 H LYS 26 8.346 -9.000 -2.921 200 HA LYS 26 HA LYS 26 10.938 -8.646 -1.976 201 HB2 LYS 26 2HB LYS 26 9.938 -10.197 -4.369 202 HB3 LYS 26 1HB LYS 26 11.573 -10.321 -3.736 203 HG2 LYS 26 2HG LYS 26 10.786 -11.310 -1.687 204 HG3 LYS 26 1HG LYS 26 9.127 -10.909 -2.084 205 HD2 LYS 26 2HD LYS 26 9.638 -13.304 -2.443 206 HD3 LYS 26 1HD LYS 26 9.110 -12.497 -3.913 207 HE2 LYS 26 2HE LYS 26 11.386 -12.358 -4.701 208 HE3 LYS 26 1HE LYS 26 11.992 -13.037 -3.185 209 HZ1 LYS 26 1HZ LYS 26 10.283 -14.495 -5.175 210 HZ2 LYS 26 2HZ LYS 26 10.772 -15.060 -3.680 211 HZ3 LYS 26 3HZ LYS 26 11.924 -14.739 -4.854 212 H ASN 27 H ASN 27 9.611 -7.872 -5.160 213 HA ASN 27 HA ASN 27 12.092 -6.868 -6.105 214 HB2 ASN 27 2HB ASN 27 9.332 -6.715 -7.282 215 HB3 ASN 27 1HB ASN 27 10.705 -5.926 -8.041 216 HD21 ASN 27 1HD2 ASN 27 9.131 -8.901 -7.394 217 HD22 ASN 27 2HD2 ASN 27 10.164 -9.905 -8.338 218 H THR 28 H THR 28 9.374 -5.342 -4.554 219 HA THR 28 HA THR 28 10.068 -2.700 -5.205 220 HB THR 28 HB THR 28 8.546 -3.756 -2.808 221 HG1 THR 28 1HG THR 28 7.692 -4.088 -4.988 222 HG21 THR 28 1HG2 THR 28 7.662 -1.479 -2.573 223 HG22 THR 28 2HG2 THR 28 8.693 -0.948 -3.903 224 HG23 THR 28 3HG2 THR 28 9.419 -1.508 -2.401 225 H ILE 29 H ILE 29 10.980 -4.710 -2.399 226 HA ILE 29 HA ILE 29 12.596 -2.625 -1.342 227 HB ILE 29 HB ILE 29 12.565 -5.609 -0.642 228 HG12 ILE 29 2HG1 ILE 29 11.816 -4.748 1.589 229 HG13 ILE 29 1HG1 ILE 29 11.784 -3.135 0.920 230 HG21 ILE 29 1HG2 ILE 29 14.077 -5.134 1.210 231 HG22 ILE 29 2HG2 ILE 29 14.328 -3.507 0.572 232 HG23 ILE 29 3HG2 ILE 29 14.843 -4.910 -0.364 233 HD11 ILE 29 1HD1 ILE 29 9.564 -4.068 1.081 234 HD12 ILE 29 2HD1 ILE 29 10.043 -5.424 0.059 235 HD13 ILE 29 3HD1 ILE 29 10.008 -3.788 -0.600 236 H SER 30 H SER 30 13.093 -5.033 -3.725 237 HA SER 30 HA SER 30 15.925 -4.803 -3.841 238 HB2 SER 30 2HB SER 30 13.988 -5.730 -5.970 239 HB3 SER 30 1HB SER 30 15.736 -5.986 -5.954 240 HG SER 30 HG SER 30 13.783 -7.074 -4.194 241 H GLU 31 H GLU 31 13.414 -2.674 -4.788 242 HA GLU 31 HA GLU 31 15.034 -1.298 -6.763 243 HB2 GLU 31 2HB GLU 31 12.353 -0.580 -5.557 244 HB3 GLU 31 1HB GLU 31 13.136 0.286 -6.870 245 HG2 GLU 31 2HG GLU 31 12.982 -1.687 -8.277 246 HG3 GLU 31 1HG GLU 31 12.227 -2.579 -6.958 247 H ALA 32 H ALA 32 14.640 -1.403 -3.459 248 HA ALA 32 HA ALA 32 15.679 1.290 -3.037 249 HB1 ALA 32 1HB ALA 32 15.426 0.786 -0.642 250 HB2 ALA 32 2HB ALA 32 14.919 -0.855 -1.044 251 HB3 ALA 32 3HB ALA 32 13.916 0.517 -1.511 252 H GLY 33 H GLY 33 16.467 -2.100 -2.541 253 HA2 GLY 33 2HA GLY 33 18.472 -3.165 -2.620 254 HA3 GLY 33 1HA GLY 33 19.219 -1.650 -3.125 255 H ASP 34 H ASP 34 20.526 -0.756 -1.759 256 HA ASP 34 HA ASP 34 20.714 -1.809 0.939 257 HB2 ASP 34 2HB ASP 34 22.773 -1.502 -0.402 258 HB3 ASP 34 1HB ASP 34 22.454 0.226 -0.472 259 H LYS 35 H LYS 35 19.161 0.684 -0.577 260 HA LYS 35 HA LYS 35 19.358 2.737 1.373 261 HB2 LYS 35 2HB LYS 35 17.221 2.229 -0.693 262 HB3 LYS 35 1HB LYS 35 17.385 3.698 0.266 263 HG2 LYS 35 2HG LYS 35 19.518 4.179 -0.774 264 HG3 LYS 35 1HG LYS 35 19.463 2.654 -1.653 265 HD2 LYS 35 2HD LYS 35 18.818 4.532 -3.091 266 HD3 LYS 35 1HD LYS 35 17.477 3.412 -2.861 267 HE2 LYS 35 2HE LYS 35 16.530 4.894 -1.157 268 HE3 LYS 35 1HE LYS 35 17.894 5.992 -1.375 269 HZ1 LYS 35 1HZ LYS 35 15.849 6.629 -2.519 270 HZ2 LYS 35 2HZ LYS 35 16.009 5.281 -3.545 271 HZ3 LYS 35 3HZ LYS 35 17.177 6.501 -3.535 272 H LEU 36 H LEU 36 17.828 -0.234 1.502 273 HA LEU 36 HA LEU 36 16.128 0.706 3.680 274 HB2 LEU 36 2HB LEU 36 14.840 0.083 1.613 275 HB3 LEU 36 1HB LEU 36 15.475 -1.539 1.755 276 HG LEU 36 HG LEU 36 13.861 -0.371 4.007 277 HD11 LEU 36 1HD1 LEU 36 11.861 -1.341 2.907 278 HD12 LEU 36 2HD1 LEU 36 12.842 -1.570 1.442 279 HD13 LEU 36 3HD1 LEU 36 12.535 0.047 2.058 280 HD21 LEU 36 1HD2 LEU 36 14.164 -3.167 2.901 281 HD22 LEU 36 2HD2 LEU 36 13.254 -2.706 4.343 282 HD23 LEU 36 3HD2 LEU 36 15.009 -2.515 4.304 283 H GLU 37 H GLU 37 16.084 -0.542 5.467 284 HA GLU 37 HA GLU 37 18.487 -1.595 6.309 285 HB2 GLU 37 2HB GLU 37 15.754 -1.971 7.488 286 HB3 GLU 37 1HB GLU 37 17.270 -2.278 8.321 287 HG2 GLU 37 2HG GLU 37 17.878 0.085 8.008 288 HG3 GLU 37 1HG GLU 37 16.299 0.367 7.280 289 H GLN 38 H GLN 38 19.271 -3.566 6.769 290 HA GLN 38 HA GLN 38 18.714 -5.682 5.019 291 HB2 GLN 38 2HB GLN 38 20.929 -5.364 5.937 292 HB3 GLN 38 1HB GLN 38 20.326 -5.592 7.568 293 HG2 GLN 38 2HG GLN 38 21.512 -7.562 6.824 294 HG3 GLN 38 1HG GLN 38 19.805 -7.921 7.058 295 HE21 GLN 38 1HE2 GLN 38 18.526 -8.367 5.251 296 HE22 GLN 38 2HE2 GLN 38 19.238 -8.770 3.726 297 H ALA 39 H ALA 39 17.945 -5.235 8.437 298 HA ALA 39 HA ALA 39 16.835 -7.801 8.820 299 HB1 ALA 39 1HB ALA 39 15.925 -6.928 10.895 300 HB2 ALA 39 2HB ALA 39 16.204 -5.278 10.345 301 HB3 ALA 39 3HB ALA 39 17.575 -6.339 10.671 302 H ASP 40 H ASP 40 15.348 -4.703 8.072 303 HA ASP 40 HA ASP 40 12.686 -5.585 7.928 304 HB2 ASP 40 2HB ASP 40 14.107 -3.309 6.543 305 HB3 ASP 40 1HB ASP 40 12.377 -3.579 6.411 306 H LYS 41 H LYS 41 15.157 -5.257 5.455 307 HA LYS 41 HA LYS 41 13.807 -6.060 3.182 308 HB2 LYS 41 2HB LYS 41 16.051 -5.156 3.154 309 HB3 LYS 41 1HB LYS 41 16.670 -6.564 3.998 310 HG2 LYS 41 2HG LYS 41 16.071 -7.953 2.034 311 HG3 LYS 41 1HG LYS 41 15.565 -6.502 1.182 312 HD2 LYS 41 2HD LYS 41 18.347 -7.068 2.235 313 HD3 LYS 41 1HD LYS 41 17.850 -7.138 0.549 314 HE2 LYS 41 2HE LYS 41 17.315 -4.724 0.631 315 HE3 LYS 41 1HE LYS 41 17.854 -4.677 2.304 316 HZ1 LYS 41 1HZ LYS 41 19.569 -5.436 0.017 317 HZ2 LYS 41 2HZ LYS 41 20.099 -5.213 1.586 318 HZ3 LYS 41 3HZ LYS 41 19.506 -3.904 0.687 319 H ASP 42 H ASP 42 15.519 -8.039 5.564 320 HA ASP 42 HA ASP 42 15.016 -10.516 4.219 321 HB2 ASP 42 2HB ASP 42 16.893 -10.228 5.810 322 HB3 ASP 42 1HB ASP 42 15.727 -10.036 7.115 323 H THR 43 H THR 43 13.447 -8.866 6.895 324 HA THR 43 HA THR 43 11.709 -10.926 7.564 325 HB THR 43 HB THR 43 11.200 -7.945 7.801 326 HG1 THR 43 1HG THR 43 13.138 -8.547 8.811 327 HG21 THR 43 1HG2 THR 43 9.758 -8.593 9.704 328 HG22 THR 43 2HG2 THR 43 10.065 -10.296 9.349 329 HG23 THR 43 3HG2 THR 43 9.180 -9.301 8.192 330 H VAL 44 H VAL 44 11.190 -8.230 5.272 331 HA VAL 44 HA VAL 44 8.575 -9.082 4.624 332 HB VAL 44 HB VAL 44 8.853 -7.712 2.535 333 HG11 VAL 44 1HG1 VAL 44 9.201 -6.456 5.269 334 HG12 VAL 44 2HG1 VAL 44 7.673 -6.915 4.520 335 HG13 VAL 44 3HG1 VAL 44 8.620 -5.584 3.852 336 HG21 VAL 44 1HG2 VAL 44 11.365 -6.832 3.943 337 HG22 VAL 44 2HG2 VAL 44 10.605 -5.988 2.599 338 HG23 VAL 44 3HG2 VAL 44 11.244 -7.618 2.364 339 H THR 45 H THR 45 11.576 -9.509 2.851 340 HA THR 45 HA THR 45 10.431 -10.951 0.777 341 HB THR 45 HB THR 45 12.632 -11.841 0.360 342 HG1 THR 45 1HG THR 45 13.625 -10.135 2.439 343 HG21 THR 45 1HG2 THR 45 13.720 -9.653 -0.169 344 HG22 THR 45 2HG2 THR 45 12.499 -8.861 0.826 345 HG23 THR 45 3HG2 THR 45 12.021 -9.732 -0.630 346 H LYS 46 H LYS 46 11.803 -12.025 3.818 347 HA LYS 46 HA LYS 46 11.542 -14.790 3.555 348 HB2 LYS 46 2HB LYS 46 12.598 -13.821 5.513 349 HB3 LYS 46 1HB LYS 46 11.091 -13.070 5.998 350 HG2 LYS 46 2HG LYS 46 10.119 -15.282 6.393 351 HG3 LYS 46 1HG LYS 46 11.648 -16.028 5.920 352 HD2 LYS 46 2HD LYS 46 12.780 -14.893 7.756 353 HD3 LYS 46 1HD LYS 46 11.268 -14.109 8.213 354 HE2 LYS 46 2HE LYS 46 11.685 -17.088 8.145 355 HE3 LYS 46 1HE LYS 46 11.872 -16.088 9.585 356 HZ1 LYS 46 1HZ LYS 46 9.548 -15.477 9.420 357 HZ2 LYS 46 2HZ LYS 46 9.707 -17.138 9.515 358 HZ3 LYS 46 3HZ LYS 46 9.324 -16.423 8.044 359 H LYS 47 H LYS 47 9.162 -12.488 4.826 360 HA LYS 47 HA LYS 47 7.028 -14.268 5.161 361 HB2 LYS 47 2HB LYS 47 7.031 -11.328 4.495 362 HB3 LYS 47 1HB LYS 47 5.566 -12.221 4.857 363 HG2 LYS 47 2HG LYS 47 7.906 -11.921 6.727 364 HG3 LYS 47 1HG LYS 47 6.462 -10.910 6.753 365 HD2 LYS 47 2HD LYS 47 6.506 -13.907 7.149 366 HD3 LYS 47 1HD LYS 47 6.415 -12.718 8.438 367 HE2 LYS 47 2HE LYS 47 4.284 -11.865 7.408 368 HE3 LYS 47 1HE LYS 47 4.371 -13.195 6.260 369 HZ1 LYS 47 1HZ LYS 47 4.263 -14.749 8.139 370 HZ2 LYS 47 2HZ LYS 47 2.908 -13.732 8.104 371 HZ3 LYS 47 3HZ LYS 47 4.139 -13.454 9.204 372 H ALA 48 H ALA 48 8.105 -12.518 2.368 373 HA ALA 48 HA ALA 48 5.914 -13.177 0.677 374 HB1 ALA 48 1HB ALA 48 7.413 -11.286 0.214 375 HB2 ALA 48 2HB ALA 48 7.405 -12.414 -1.144 376 HB3 ALA 48 3HB ALA 48 8.759 -12.394 -0.013 377 H GLU 49 H GLU 49 9.112 -14.612 1.118 378 HA GLU 49 HA GLU 49 8.824 -16.632 -0.806 379 HB2 GLU 49 2HB GLU 49 10.506 -16.558 1.705 380 HB3 GLU 49 1HB GLU 49 10.652 -17.785 0.458 381 HG2 GLU 49 2HG GLU 49 11.067 -14.839 0.027 382 HG3 GLU 49 1HG GLU 49 12.351 -16.011 0.303 383 H GLU 50 H GLU 50 7.980 -16.484 2.608 384 HA GLU 50 HA GLU 50 7.164 -19.196 2.785 385 HB2 GLU 50 2HB GLU 50 6.386 -16.835 4.521 386 HB3 GLU 50 1HB GLU 50 6.046 -18.518 4.896 387 HG2 GLU 50 2HG GLU 50 8.473 -18.963 4.943 388 HG3 GLU 50 1HG GLU 50 8.765 -17.253 4.653 389 H THR 51 H THR 51 5.653 -16.259 1.782 390 HA THR 51 HA THR 51 3.047 -17.229 1.825 391 HB THR 51 HB THR 51 4.254 -14.924 0.290 392 HG1 THR 51 1HG THR 51 4.324 -14.494 2.388 393 HG21 THR 51 1HG2 THR 51 1.328 -15.573 0.754 394 HG22 THR 51 2HG2 THR 51 2.165 -15.608 -0.801 395 HG23 THR 51 3HG2 THR 51 1.949 -14.078 0.048 396 H ILE 52 H ILE 52 5.597 -17.229 -0.570 397 HA ILE 52 HA ILE 52 4.226 -18.159 -2.842 398 HB ILE 52 HB ILE 52 7.080 -18.727 -1.984 399 HG12 ILE 52 2HG1 ILE 52 6.678 -16.319 -2.113 400 HG13 ILE 52 1HG1 ILE 52 7.751 -16.840 -3.400 401 HG21 ILE 52 1HG2 ILE 52 5.863 -18.892 -4.730 402 HG22 ILE 52 2HG2 ILE 52 6.370 -20.245 -3.719 403 HG23 ILE 52 3HG2 ILE 52 7.571 -19.111 -4.335 404 HD11 ILE 52 1HD1 ILE 52 6.200 -15.197 -4.204 405 HD12 ILE 52 2HD1 ILE 52 4.830 -16.161 -3.657 406 HD13 ILE 52 3HD1 ILE 52 5.855 -16.748 -4.973 407 H SER 53 H SER 53 6.070 -19.948 -0.345 408 HA SER 53 HA SER 53 5.369 -22.470 -1.331 409 HB2 SER 53 2HB SER 53 6.280 -23.131 1.021 410 HB3 SER 53 1HB SER 53 7.373 -22.428 -0.174 411 HG SER 53 HG SER 53 6.931 -21.526 2.222 412 H TRP 54 H TRP 54 3.853 -20.322 1.001 413 HA TRP 54 HA TRP 54 2.121 -22.142 2.215 414 HB2 TRP 54 2HB TRP 54 2.376 -19.686 2.905 415 HB3 TRP 54 1HB TRP 54 1.360 -19.270 1.530 416 HD1 TRP 54 HD TRP 54 1.186 -20.894 4.985 417 HE1 TRP 54 1HE TRP 54 -1.272 -21.037 5.708 418 HE3 TRP 54 3HE TRP 54 -1.056 -19.399 0.637 419 HZ2 TRP 54 2HZ TRP 54 -3.821 -20.591 4.606 420 HZ3 TRP 54 3HZ TRP 54 -3.509 -19.286 0.571 421 HH2 TRP 54 HH TRP 54 -4.855 -19.864 2.510 422 H LEU 55 H LEU 55 1.681 -20.201 -0.710 423 HA LEU 55 HA LEU 55 -0.913 -21.068 -1.404 424 HB2 LEU 55 2HB LEU 55 0.496 -19.144 -2.359 425 HB3 LEU 55 1HB LEU 55 1.299 -20.345 -3.332 426 HG LEU 55 HG LEU 55 -1.629 -19.569 -3.527 427 HD11 LEU 55 1HD1 LEU 55 -0.979 -18.607 -5.672 428 HD12 LEU 55 2HD1 LEU 55 0.716 -18.946 -5.291 429 HD13 LEU 55 3HD1 LEU 55 -0.220 -17.832 -4.288 430 HD21 LEU 55 1HD2 LEU 55 -1.689 -20.875 -5.598 431 HD22 LEU 55 2HD2 LEU 55 -1.302 -21.904 -4.218 432 HD23 LEU 55 3HD2 LEU 55 -0.025 -21.399 -5.327 433 H ASP 56 H ASP 56 2.271 -22.344 -2.155 434 HA ASP 56 HA ASP 56 1.388 -24.285 -4.029 435 HB2 ASP 56 2HB ASP 56 3.624 -23.355 -4.162 436 HB3 ASP 56 1HB ASP 56 4.004 -23.955 -2.558 437 H SER 57 H SER 57 1.652 -24.225 -0.600 438 HA SER 57 HA SER 57 1.364 -27.101 -0.596 439 HB2 SER 57 2HB SER 57 2.143 -25.321 1.712 440 HB3 SER 57 1HB SER 57 2.178 -27.087 1.682 441 HG SER 57 HG SER 57 3.796 -25.246 0.313 442 H ASN 58 H ASN 58 -0.545 -24.426 -0.430 443 HA ASN 58 HA ASN 58 -2.646 -25.765 1.150 444 HB2 ASN 58 2HB ASN 58 -1.797 -22.861 1.353 445 HB3 ASN 58 1HB ASN 58 -3.329 -23.456 1.968 446 HD21 ASN 58 1HD2 ASN 58 0.092 -23.476 2.356 447 HD22 ASN 58 2HD2 ASN 58 0.152 -24.119 3.964 448 H THR 59 H THR 59 -2.186 -25.686 -1.689 449 HA THR 59 HA THR 59 -3.535 -23.758 -3.090 450 HB THR 59 HB THR 59 -3.398 -26.678 -3.777 451 HG1 THR 59 1HG THR 59 -1.363 -24.708 -3.482 452 HG21 THR 59 1HG2 THR 59 -4.484 -25.142 -5.370 453 HG22 THR 59 2HG2 THR 59 -2.958 -25.780 -6.009 454 HG23 THR 59 3HG2 THR 59 -3.029 -24.140 -5.351 455 H THR 60 H THR 60 -4.768 -26.464 -1.209 456 HA THR 60 HA THR 60 -7.358 -26.426 -2.379 457 HB THR 60 HB THR 60 -7.642 -28.074 -0.347 458 HG1 THR 60 1HG THR 60 -5.826 -28.093 0.729 459 HG21 THR 60 1HG2 THR 60 -6.807 -29.870 -1.798 460 HG22 THR 60 2HG2 THR 60 -5.953 -28.679 -2.779 461 HG23 THR 60 3HG2 THR 60 -7.716 -28.683 -2.735 462 H ALA 61 H ALA 61 -5.956 -24.329 -0.253 463 HA ALA 61 HA ALA 61 -7.935 -24.177 1.790 464 HB1 ALA 61 1HB ALA 61 -6.012 -22.046 0.828 465 HB2 ALA 61 2HB ALA 61 -5.655 -23.254 2.058 466 HB3 ALA 61 3HB ALA 61 -6.893 -22.036 2.356 467 H SER 62 H SER 62 -9.348 -22.250 2.055 468 HA SER 62 HA SER 62 -10.851 -21.883 -0.403 469 HB2 SER 62 2HB SER 62 -11.957 -22.372 1.824 470 HB3 SER 62 1HB SER 62 -11.450 -20.772 2.360 471 HG SER 62 HG SER 62 -13.003 -19.924 1.314 472 H LYS 63 H LYS 63 -11.674 -19.500 -0.820 473 HA LYS 63 HA LYS 63 -9.266 -18.139 -1.385 474 HB2 LYS 63 2HB LYS 63 -10.428 -16.514 -2.651 475 HB3 LYS 63 1HB LYS 63 -11.283 -18.031 -2.862 476 HG2 LYS 63 2HG LYS 63 -12.208 -15.862 -1.016 477 HG3 LYS 63 1HG LYS 63 -12.678 -15.966 -2.705 478 HD2 LYS 63 2HD LYS 63 -13.584 -18.248 -2.205 479 HD3 LYS 63 1HD LYS 63 -13.266 -17.920 -0.495 480 HE2 LYS 63 2HE LYS 63 -14.642 -15.843 -0.726 481 HE3 LYS 63 1HE LYS 63 -15.076 -16.386 -2.345 482 HZ1 LYS 63 1HZ LYS 63 -15.626 -17.737 0.203 483 HZ2 LYS 63 2HZ LYS 63 -15.975 -18.421 -1.307 484 HZ3 LYS 63 3HZ LYS 63 -16.774 -16.999 -0.802 485 H GLU 64 H GLU 64 -11.590 -17.713 1.125 486 HA GLU 64 HA GLU 64 -10.815 -15.224 2.106 487 HB2 GLU 64 2HB GLU 64 -11.731 -17.636 3.678 488 HB3 GLU 64 1HB GLU 64 -11.651 -16.002 4.305 489 HG2 GLU 64 2HG GLU 64 -13.905 -16.347 3.856 490 HG3 GLU 64 1HG GLU 64 -13.338 -15.432 2.470 491 H GLU 65 H GLU 65 -9.320 -18.350 2.361 492 HA GLU 65 HA GLU 65 -7.577 -17.585 4.499 493 HB2 GLU 65 2HB GLU 65 -7.473 -19.966 2.659 494 HB3 GLU 65 1HB GLU 65 -6.520 -19.772 4.133 495 HG2 GLU 65 2HG GLU 65 -8.584 -19.644 5.438 496 HG3 GLU 65 1HG GLU 65 -9.517 -19.882 3.969 497 H PHE 66 H PHE 66 -7.330 -17.864 1.012 498 HA PHE 66 HA PHE 66 -4.605 -17.059 0.896 499 HB2 PHE 66 2HB PHE 66 -6.796 -16.895 -1.204 500 HB3 PHE 66 1HB PHE 66 -5.121 -16.469 -1.519 501 HD1 PHE 66 1HD PHE 66 -7.515 -19.203 -1.069 502 HD2 PHE 66 2HD PHE 66 -3.377 -18.249 -1.603 503 HE1 PHE 66 1HE PHE 66 -7.032 -21.524 -1.630 504 HE2 PHE 66 2HE PHE 66 -2.923 -20.584 -2.150 505 HZ PHE 66 HZ PHE 66 -4.749 -22.225 -2.168 506 H ASP 67 H ASP 67 -7.680 -15.356 0.846 507 HA ASP 67 HA ASP 67 -6.683 -12.758 0.476 508 HB2 ASP 67 2HB ASP 67 -9.243 -13.839 1.587 509 HB3 ASP 67 1HB ASP 67 -8.861 -12.143 1.839 510 H ASP 68 H ASP 68 -7.232 -14.629 3.412 511 HA ASP 68 HA ASP 68 -6.544 -12.557 5.207 512 HB2 ASP 68 2HB ASP 68 -7.732 -14.563 5.985 513 HB3 ASP 68 1HB ASP 68 -6.317 -15.549 5.626 514 H LYS 69 H LYS 69 -4.625 -15.138 3.728 515 HA LYS 69 HA LYS 69 -2.238 -14.475 4.948 516 HB2 LYS 69 2HB LYS 69 -3.095 -16.131 2.728 517 HB3 LYS 69 1HB LYS 69 -1.483 -15.485 2.498 518 HG2 LYS 69 2HG LYS 69 -2.418 -17.018 4.924 519 HG3 LYS 69 1HG LYS 69 -1.497 -17.704 3.585 520 HD2 LYS 69 2HD LYS 69 -0.553 -15.477 5.420 521 HD3 LYS 69 1HD LYS 69 -0.041 -17.159 5.477 522 HE2 LYS 69 2HE LYS 69 0.972 -16.992 3.307 523 HE3 LYS 69 1HE LYS 69 0.339 -15.369 3.070 524 HZ1 LYS 69 1HZ LYS 69 2.342 -16.178 5.095 525 HZ2 LYS 69 2HZ LYS 69 1.692 -14.618 4.929 526 HZ3 LYS 69 3HZ LYS 69 2.621 -15.277 3.679 527 H LEU 70 H LEU 70 -3.706 -13.207 2.026 528 HA LEU 70 HA LEU 70 -1.593 -11.554 1.211 529 HB2 LEU 70 2HB LEU 70 -3.626 -12.071 -0.142 530 HB3 LEU 70 1HB LEU 70 -4.591 -11.132 0.959 531 HG LEU 70 HG LEU 70 -4.140 -10.046 -1.251 532 HD11 LEU 70 1HD1 LEU 70 -3.073 -8.505 1.093 533 HD12 LEU 70 2HD1 LEU 70 -4.765 -8.660 0.642 534 HD13 LEU 70 3HD1 LEU 70 -3.642 -7.818 -0.431 535 HD21 LEU 70 1HD2 LEU 70 -1.322 -9.903 -0.221 536 HD22 LEU 70 2HD2 LEU 70 -1.948 -9.027 -1.618 537 HD23 LEU 70 3HD2 LEU 70 -1.909 -10.789 -1.633 538 H LYS 71 H LYS 71 -4.290 -11.006 3.415 539 HA LYS 71 HA LYS 71 -3.669 -8.309 3.925 540 HB2 LYS 71 2HB LYS 71 -5.412 -10.229 5.449 541 HB3 LYS 71 1HB LYS 71 -5.300 -8.510 5.802 542 HG2 LYS 71 2HG LYS 71 -6.113 -7.987 3.555 543 HG3 LYS 71 1HG LYS 71 -6.218 -9.710 3.193 544 HD2 LYS 71 2HD LYS 71 -7.854 -9.991 4.975 545 HD3 LYS 71 1HD LYS 71 -7.735 -8.279 5.366 546 HE2 LYS 71 2HE LYS 71 -9.713 -8.646 4.032 547 HE3 LYS 71 1HE LYS 71 -8.533 -7.730 3.097 548 HZ1 LYS 71 1HZ LYS 71 -7.954 -9.775 1.911 549 HZ2 LYS 71 2HZ LYS 71 -9.615 -9.468 1.812 550 HZ3 LYS 71 3HZ LYS 71 -9.059 -10.629 2.876 551 H GLU 72 H GLU 72 -2.694 -11.272 5.575 552 HA GLU 72 HA GLU 72 -1.503 -9.810 7.713 553 HB2 GLU 72 2HB GLU 72 -0.592 -11.908 8.512 554 HB3 GLU 72 1HB GLU 72 -2.242 -12.155 7.984 555 HG2 GLU 72 2HG GLU 72 -1.277 -14.034 7.136 556 HG3 GLU 72 1HG GLU 72 -1.053 -12.942 5.778 557 H LEU 73 H LEU 73 -0.423 -10.947 4.640 558 HA LEU 73 HA LEU 73 2.325 -10.524 4.939 559 HB2 LEU 73 2HB LEU 73 1.122 -11.774 3.090 560 HB3 LEU 73 1HB LEU 73 0.628 -10.238 2.435 561 HG LEU 73 HG LEU 73 2.482 -11.336 1.197 562 HD11 LEU 73 1HD1 LEU 73 3.901 -9.423 0.926 563 HD12 LEU 73 2HD1 LEU 73 3.293 -8.723 2.429 564 HD13 LEU 73 3HD1 LEU 73 2.214 -8.928 1.048 565 HD21 LEU 73 1HD2 LEU 73 4.086 -10.801 3.684 566 HD22 LEU 73 2HD2 LEU 73 4.723 -11.374 2.143 567 HD23 LEU 73 3HD2 LEU 73 3.611 -12.384 3.068 568 H GLN 74 H GLN 74 -0.264 -8.451 3.720 569 HA GLN 74 HA GLN 74 1.334 -6.150 3.337 570 HB2 GLN 74 2HB GLN 74 -1.642 -6.448 3.696 571 HB3 GLN 74 1HB GLN 74 -0.861 -4.919 3.318 572 HG2 GLN 74 2HG GLN 74 -0.726 -7.405 1.625 573 HG3 GLN 74 1HG GLN 74 -1.784 -6.025 1.329 574 HE21 GLN 74 1HE2 GLN 74 1.503 -7.160 1.296 575 HE22 GLN 74 2HE2 GLN 74 2.133 -5.862 0.338 576 H ASP 75 H ASP 75 -0.324 -7.411 6.100 577 HA ASP 75 HA ASP 75 -0.242 -5.073 7.710 578 HB2 ASP 75 2HB ASP 75 -1.750 -6.988 8.176 579 HB3 ASP 75 1HB ASP 75 -0.351 -7.971 8.577 580 H ILE 76 H ILE 76 1.781 -7.981 7.633 581 HA ILE 76 HA ILE 76 3.623 -7.086 9.581 582 HB ILE 76 HB ILE 76 4.010 -9.149 7.389 583 HG12 ILE 76 2HG1 ILE 76 2.165 -9.715 8.891 584 HG13 ILE 76 1HG1 ILE 76 3.515 -10.812 9.138 585 HG21 ILE 76 1HG2 ILE 76 5.840 -10.056 8.761 586 HG22 ILE 76 2HG2 ILE 76 5.658 -8.705 9.880 587 HG23 ILE 76 3HG2 ILE 76 6.174 -8.409 8.218 588 HD11 ILE 76 1HD1 ILE 76 2.760 -8.483 10.890 589 HD12 ILE 76 2HD1 ILE 76 4.149 -9.541 11.138 590 HD13 ILE 76 3HD1 ILE 76 2.512 -10.191 11.240 591 H ALA 77 H ALA 77 3.562 -6.817 6.086 592 HA ALA 77 HA ALA 77 6.208 -5.741 5.912 593 HB1 ALA 77 1HB ALA 77 4.033 -5.790 3.835 594 HB2 ALA 77 2HB ALA 77 5.227 -7.060 4.100 595 HB3 ALA 77 3HB ALA 77 5.742 -5.462 3.554 596 H ASN 78 H ASN 78 3.278 -4.374 6.819 597 HA ASN 78 HA ASN 78 3.177 -1.965 5.479 598 HB2 ASN 78 2HB ASN 78 1.301 -2.636 6.842 599 HB3 ASN 78 1HB ASN 78 2.260 -2.526 8.312 600 HD21 ASN 78 1HD2 ASN 78 0.623 -0.745 5.840 601 HD22 ASN 78 2HD2 ASN 78 0.596 0.771 6.652 602 HA PRO 79 HA PRO 79 5.832 0.345 8.843 603 HB2 PRO 79 2HB PRO 79 7.724 -1.340 10.014 604 HB3 PRO 79 1HB PRO 79 6.292 -0.690 10.816 605 HG2 PRO 79 2HG PRO 79 6.745 -3.372 9.615 606 HG3 PRO 79 1HG PRO 79 5.780 -2.914 11.022 607 HD2 PRO 79 2HD PRO 79 4.662 -3.542 8.662 608 HD3 PRO 79 1HD PRO 79 3.963 -2.331 9.751 609 H ILE 80 H ILE 80 7.068 -2.441 7.098 610 HA ILE 80 HA ILE 80 9.595 -1.242 6.480 611 HB ILE 80 HB ILE 80 8.246 -3.664 5.215 612 HG12 ILE 80 2HG1 ILE 80 10.134 -4.928 6.418 613 HG13 ILE 80 1HG1 ILE 80 10.418 -3.450 7.312 614 HG21 ILE 80 1HG2 ILE 80 11.055 -2.654 4.818 615 HG22 ILE 80 2HG2 ILE 80 9.768 -2.697 3.615 616 HG23 ILE 80 3HG2 ILE 80 10.447 -4.204 4.236 617 HD11 ILE 80 1HD1 ILE 80 7.877 -5.061 7.343 618 HD12 ILE 80 2HD1 ILE 80 8.185 -3.575 8.246 619 HD13 ILE 80 3HD1 ILE 80 9.117 -5.030 8.600 620 H MET 81 H MET 81 6.533 -1.696 4.807 621 HA MET 81 HA MET 81 7.197 -0.504 2.352 622 HB2 MET 81 2HB MET 81 4.541 -0.559 3.807 623 HB3 MET 81 1HB MET 81 4.738 0.030 2.172 624 HG2 MET 81 2HG MET 81 5.490 -2.774 2.928 625 HG3 MET 81 1HG MET 81 3.830 -2.345 2.567 626 HE1 MET 81 1HE MET 81 7.288 -2.489 -0.520 627 HE2 MET 81 2HE MET 81 7.485 -2.725 1.224 628 HE3 MET 81 3HE MET 81 7.230 -1.106 0.553 629 H SER 82 H SER 82 6.163 0.827 5.391 630 HA SER 82 HA SER 82 5.749 3.462 4.585 631 HB2 SER 82 2HB SER 82 5.015 2.399 6.761 632 HB3 SER 82 1HB SER 82 6.682 2.506 7.308 633 HG SER 82 HG SER 82 4.891 4.554 6.648 634 H LYS 83 H LYS 83 8.642 1.722 5.646 635 HA LYS 83 HA LYS 83 10.328 3.998 5.641 636 HB2 LYS 83 2HB LYS 83 11.054 1.073 5.402 637 HB3 LYS 83 1HB LYS 83 12.206 2.371 5.655 638 HG2 LYS 83 2HG LYS 83 11.168 2.879 7.805 639 HG3 LYS 83 1HG LYS 83 10.002 1.579 7.541 640 HD2 LYS 83 2HD LYS 83 11.846 -0.038 7.437 641 HD3 LYS 83 1HD LYS 83 12.994 1.266 7.732 642 HE2 LYS 83 2HE LYS 83 11.966 1.693 9.906 643 HE3 LYS 83 1HE LYS 83 10.780 0.426 9.585 644 HZ1 LYS 83 1HZ LYS 83 12.572 -0.397 10.979 645 HZ2 LYS 83 2HZ LYS 83 13.708 0.025 9.807 646 HZ3 LYS 83 3HZ LYS 83 12.575 -1.178 9.482 647 H LEU 84 H LEU 84 9.387 1.610 3.318 648 HA LEU 84 HA LEU 84 11.278 2.154 1.322 649 HB2 LEU 84 2HB LEU 84 9.858 0.111 1.448 650 HB3 LEU 84 1HB LEU 84 8.465 1.075 1.036 651 HG LEU 84 HG LEU 84 9.335 -0.353 -0.798 652 HD11 LEU 84 1HD1 LEU 84 9.397 2.594 -1.414 653 HD12 LEU 84 2HD1 LEU 84 7.971 1.554 -1.393 654 HD13 LEU 84 3HD1 LEU 84 9.229 1.299 -2.602 655 HD21 LEU 84 1HD2 LEU 84 11.708 -0.198 -0.352 656 HD22 LEU 84 2HD2 LEU 84 11.696 1.518 -0.763 657 HD23 LEU 84 3HD2 LEU 84 11.363 0.312 -2.003 658 H TYR 85 H TYR 85 7.968 3.381 1.795 659 HA TYR 85 HA TYR 85 8.059 4.973 -0.546 660 HB2 TYR 85 2HB TYR 85 6.131 4.994 1.762 661 HB3 TYR 85 1HB TYR 85 5.974 6.087 0.394 662 HD1 TYR 85 1HD TYR 85 5.088 2.900 1.680 663 HD2 TYR 85 2HD TYR 85 5.896 4.943 -1.956 664 HE1 TYR 85 1HE TYR 85 3.856 1.166 0.444 665 HE2 TYR 85 2HE TYR 85 4.666 3.216 -3.209 666 HH TYR 85 HH TYR 85 4.000 0.897 -2.959 667 H GLN 86 H GLN 86 9.663 5.507 2.272 668 HA GLN 86 HA GLN 86 9.688 8.394 1.752 669 HB2 GLN 86 2HB GLN 86 10.613 8.697 4.008 670 HB3 GLN 86 1HB GLN 86 9.034 7.920 4.034 671 HG2 GLN 86 2HG GLN 86 10.201 5.744 4.305 672 HG3 GLN 86 1HG GLN 86 11.715 6.628 4.443 673 HE21 GLN 86 1HE2 GLN 86 12.090 5.929 6.522 674 HE22 GLN 86 2HE2 GLN 86 11.155 6.448 7.864 675 H ALA 87 H ALA 87 11.676 5.561 1.951 676 HA ALA 87 HA ALA 87 14.142 7.025 1.537 677 HB1 ALA 87 1HB ALA 87 13.608 4.052 1.444 678 HB2 ALA 87 2HB ALA 87 14.137 4.953 2.862 679 HB3 ALA 87 3HB ALA 87 15.199 4.814 1.461 680 H GLY 88 H GLY 88 11.813 5.244 -0.366 681 HA2 GLY 88 2HA GLY 88 13.246 6.010 -2.804 682 HA3 GLY 88 1HA GLY 88 12.448 4.439 -2.622 683 H GLY 89 H GLY 89 11.727 7.736 -1.808 684 HA2 GLY 89 2HA GLY 89 8.968 7.207 -2.093 685 HA3 GLY 89 1HA GLY 89 9.696 8.720 -1.576 686 H ALA 90 H ALA 90 7.785 7.565 -3.760 687 HA ALA 90 HA ALA 90 8.732 9.343 -5.890 688 HB1 ALA 90 1HB ALA 90 7.383 7.955 -7.442 689 HB2 ALA 90 2HB ALA 90 6.979 6.882 -6.106 690 HB3 ALA 90 3HB ALA 90 8.649 7.020 -6.651 691 HA PRO 91 HA PRO 91 5.113 11.377 -4.011 692 HB2 PRO 91 2HB PRO 91 6.101 13.717 -5.490 693 HB3 PRO 91 1HB PRO 91 5.820 13.531 -3.759 694 HG2 PRO 91 2HG PRO 91 8.303 13.667 -4.773 695 HG3 PRO 91 1HG PRO 91 7.919 12.649 -3.374 696 HD2 PRO 91 2HD PRO 91 8.285 11.864 -6.243 697 HD3 PRO 91 1HD PRO 91 8.860 11.062 -4.763 698 H GLY 92 H GLY 92 3.439 10.608 -5.097 699 HA2 GLY 92 2HA GLY 92 2.643 12.014 -7.523 700 HA3 GLY 92 1HA GLY 92 2.788 10.261 -7.624 701 H GLY 93 H GLY 93 1.878 11.589 -4.622 702 HA2 GLY 93 2HA GLY 93 -0.593 10.149 -4.673 703 HA3 GLY 93 1HA GLY 93 0.028 11.131 -3.351 704 H ALA 94 H ALA 94 0.398 13.491 -4.908 705 HA ALA 94 HA ALA 94 -2.400 14.359 -5.067 706 HB1 ALA 94 1HB ALA 94 -1.503 16.630 -4.905 707 HB2 ALA 94 2HB ALA 94 0.139 15.992 -4.975 708 HB3 ALA 94 3HB ALA 94 -0.888 15.625 -3.591 709 H ALA 95 H ALA 95 -0.376 13.034 -7.077 710 HA ALA 95 HA ALA 95 -0.428 14.905 -9.264 711 HB1 ALA 95 1HB ALA 95 0.484 12.032 -9.168 712 HB2 ALA 95 2HB ALA 95 1.519 13.450 -8.991 713 HB3 ALA 95 3HB ALA 95 0.714 13.129 -10.525 714 H GLY 96 H GLY 96 -2.164 15.172 -10.406 715 HA2 GLY 96 2HA GLY 96 -3.465 13.533 -12.014 716 HA3 GLY 96 1HA GLY 96 -4.231 13.146 -10.472 717 H GLY 97 H GLY 97 -4.416 15.469 -9.193 718 HA2 GLY 97 2HA GLY 97 -4.968 17.796 -10.315 719 HA3 GLY 97 1HA GLY 97 -6.369 16.843 -10.791 720 H ALA 98 H ALA 98 -7.689 18.183 -9.598 721 HA ALA 98 HA ALA 98 -7.574 17.754 -6.698 722 HB1 ALA 98 1HB ALA 98 -6.990 20.081 -7.224 723 HB2 ALA 98 2HB ALA 98 -8.569 20.013 -6.438 724 HB3 ALA 98 3HB ALA 98 -8.460 20.243 -8.183 725 HA PRO 99 HA PRO 99 -11.683 16.071 -7.146 726 HB2 PRO 99 2HB PRO 99 -12.911 17.096 -4.905 727 HB3 PRO 99 1HB PRO 99 -11.846 15.690 -4.877 728 HG2 PRO 99 2HG PRO 99 -11.237 18.545 -4.220 729 HG3 PRO 99 1HG PRO 99 -10.723 17.071 -3.382 730 HD2 PRO 99 2HD PRO 99 -9.062 18.386 -5.007 731 HD3 PRO 99 1HD PRO 99 -9.071 16.610 -4.956 732 H GLY 100 H GLY 100 -11.326 19.452 -6.475 733 HA2 GLY 100 2HA GLY 100 -13.344 20.092 -8.440 734 HA3 GLY 100 1HA GLY 100 -13.646 20.677 -6.800 735 H GLY 101 H GLY 101 -11.719 21.750 -5.770 736 HA2 GLY 101 2HA GLY 101 -9.554 22.773 -6.895 737 HA3 GLY 101 1HA GLY 101 -10.835 23.815 -7.527 Start of MODEL 14 1 H1 SER 1 1HT SER 1 -19.568 -27.218 -11.519 2 H2 SER 1 2HT SER 1 -20.543 -28.405 -10.756 3 H3 SER 1 3HT SER 1 -19.699 -27.274 -9.835 4 HA SER 1 HA SER 1 -21.858 -26.678 -11.754 5 HB2 SER 1 2HB SER 1 -21.828 -26.661 -8.739 6 HB3 SER 1 1HB SER 1 -23.211 -26.307 -9.773 7 HG SER 1 HG SER 1 -23.326 -28.412 -9.055 8 H LYS 2 H LYS 2 -22.662 -24.379 -11.383 9 HA LYS 2 HA LYS 2 -20.415 -22.769 -11.740 10 HB2 LYS 2 2HB LYS 2 -23.315 -22.156 -11.796 11 HB3 LYS 2 1HB LYS 2 -22.144 -20.852 -11.815 12 HG2 LYS 2 2HG LYS 2 -22.353 -23.101 -13.822 13 HG3 LYS 2 1HG LYS 2 -22.829 -21.422 -14.072 14 HD2 LYS 2 2HD LYS 2 -20.006 -22.469 -13.655 15 HD3 LYS 2 1HD LYS 2 -20.688 -21.784 -15.121 16 HE2 LYS 2 2HE LYS 2 -20.947 -19.625 -14.017 17 HE3 LYS 2 1HE LYS 2 -20.289 -20.287 -12.527 18 HZ1 LYS 2 1HZ LYS 2 -18.603 -19.116 -13.610 19 HZ2 LYS 2 2HZ LYS 2 -18.886 -19.861 -15.092 20 HZ3 LYS 2 3HZ LYS 2 -18.194 -20.744 -13.808 21 H GLU 3 H GLU 3 -22.453 -23.000 -8.873 22 HA GLU 3 HA GLU 3 -21.336 -20.621 -7.768 23 HB2 GLU 3 2HB GLU 3 -22.276 -21.235 -5.609 24 HB3 GLU 3 1HB GLU 3 -23.436 -21.659 -6.846 25 HG2 GLU 3 2HG GLU 3 -21.626 -23.582 -5.388 26 HG3 GLU 3 1HG GLU 3 -23.334 -23.326 -5.059 27 H GLU 4 H GLU 4 -20.511 -23.969 -7.513 28 HA GLU 4 HA GLU 4 -18.212 -23.831 -5.945 29 HB2 GLU 4 2HB GLU 4 -19.276 -25.912 -6.436 30 HB3 GLU 4 1HB GLU 4 -19.090 -25.665 -8.163 31 HG2 GLU 4 2HG GLU 4 -16.649 -25.837 -7.880 32 HG3 GLU 4 1HG GLU 4 -16.910 -26.213 -6.176 33 H ASP 5 H ASP 5 -18.674 -23.672 -9.422 34 HA ASP 5 HA ASP 5 -15.992 -23.523 -10.215 35 HB2 ASP 5 2HB ASP 5 -17.865 -24.084 -11.717 36 HB3 ASP 5 1HB ASP 5 -18.409 -22.414 -11.617 37 H GLU 6 H GLU 6 -18.312 -20.975 -9.536 38 HA GLU 6 HA GLU 6 -16.547 -18.865 -10.148 39 HB2 GLU 6 2HB GLU 6 -19.005 -18.961 -8.417 40 HB3 GLU 6 1HB GLU 6 -18.104 -17.481 -8.719 41 HG2 GLU 6 2HG GLU 6 -19.401 -19.199 -10.824 42 HG3 GLU 6 1HG GLU 6 -20.061 -17.696 -10.183 43 H LYS 7 H LYS 7 -17.235 -20.602 -7.141 44 HA LYS 7 HA LYS 7 -15.479 -19.023 -5.607 45 HB2 LYS 7 2HB LYS 7 -16.633 -21.760 -5.155 46 HB3 LYS 7 1HB LYS 7 -15.524 -21.030 -4.002 47 HG2 LYS 7 2HG LYS 7 -17.070 -19.135 -3.754 48 HG3 LYS 7 1HG LYS 7 -18.185 -19.915 -4.877 49 HD2 LYS 7 2HD LYS 7 -18.450 -21.783 -3.349 50 HD3 LYS 7 1HD LYS 7 -17.252 -21.087 -2.257 51 HE2 LYS 7 2HE LYS 7 -19.905 -19.833 -2.989 52 HE3 LYS 7 1HE LYS 7 -19.549 -20.671 -1.482 53 HZ1 LYS 7 1HZ LYS 7 -17.892 -18.943 -0.960 54 HZ2 LYS 7 2HZ LYS 7 -19.389 -18.261 -1.230 55 HZ3 LYS 7 3HZ LYS 7 -18.221 -18.168 -2.414 56 H GLU 8 H GLU 8 -14.974 -21.848 -7.593 57 HA GLU 8 HA GLU 8 -12.290 -22.395 -6.916 58 HB2 GLU 8 2HB GLU 8 -13.739 -22.673 -9.554 59 HB3 GLU 8 1HB GLU 8 -12.086 -23.191 -9.295 60 HG2 GLU 8 2HG GLU 8 -14.495 -24.267 -7.858 61 HG3 GLU 8 1HG GLU 8 -13.648 -25.012 -9.222 62 H SER 9 H SER 9 -13.721 -20.325 -9.369 63 HA SER 9 HA SER 9 -11.383 -19.260 -10.440 64 HB2 SER 9 2HB SER 9 -14.081 -17.939 -10.212 65 HB3 SER 9 1HB SER 9 -12.823 -17.578 -11.405 66 HG SER 9 HG SER 9 -14.492 -19.841 -11.181 67 H GLN 10 H GLN 10 -13.401 -18.167 -7.754 68 HA GLN 10 HA GLN 10 -11.917 -15.844 -7.190 69 HB2 GLN 10 2HB GLN 10 -13.708 -17.515 -5.437 70 HB3 GLN 10 1HB GLN 10 -13.023 -15.970 -4.940 71 HG2 GLN 10 2HG GLN 10 -14.201 -14.829 -6.697 72 HG3 GLN 10 1HG GLN 10 -14.787 -16.359 -7.346 73 HE21 GLN 10 1HE2 GLN 10 -16.921 -15.717 -7.125 74 HE22 GLN 10 2HE2 GLN 10 -17.704 -15.648 -5.594 75 H ARG 11 H ARG 11 -11.488 -19.203 -6.195 76 HA ARG 11 HA ARG 11 -9.370 -18.656 -4.371 77 HB2 ARG 11 2HB ARG 11 -10.367 -20.898 -4.331 78 HB3 ARG 11 1HB ARG 11 -9.887 -21.171 -6.001 79 HG2 ARG 11 2HG ARG 11 -7.497 -20.931 -5.279 80 HG3 ARG 11 1HG ARG 11 -8.060 -20.883 -3.613 81 HD2 ARG 11 2HD ARG 11 -8.587 -23.158 -5.522 82 HD3 ARG 11 1HD ARG 11 -7.237 -23.111 -4.399 83 HE ARG 11 HE ARG 11 -8.784 -23.202 -2.593 84 HH11 ARG 11 1HH1 ARG 11 -10.237 -23.817 -5.747 85 HH12 ARG 11 2HH1 ARG 11 -11.518 -24.736 -5.167 86 HH21 ARG 11 1HH2 ARG 11 -10.481 -24.522 -1.765 87 HH22 ARG 11 2HH2 ARG 11 -11.647 -25.179 -2.824 88 H ILE 12 H ILE 12 -9.496 -19.380 -7.826 89 HA ILE 12 HA ILE 12 -6.741 -19.392 -8.364 90 HB ILE 12 HB ILE 12 -8.851 -18.265 -10.213 91 HG12 ILE 12 2HG1 ILE 12 -9.619 -20.470 -9.549 92 HG13 ILE 12 1HG1 ILE 12 -9.046 -20.541 -11.204 93 HG21 ILE 12 1HG2 ILE 12 -7.349 -18.978 -12.024 94 HG22 ILE 12 2HG2 ILE 12 -6.190 -19.537 -10.822 95 HG23 ILE 12 3HG2 ILE 12 -6.561 -17.825 -10.940 96 HD11 ILE 12 1HD1 ILE 12 -7.555 -21.493 -8.770 97 HD12 ILE 12 2HD1 ILE 12 -6.992 -21.610 -10.443 98 HD13 ILE 12 3HD1 ILE 12 -8.436 -22.494 -9.921 99 H ALA 13 H ALA 13 -9.095 -16.783 -8.428 100 HA ALA 13 HA ALA 13 -7.460 -14.657 -9.113 101 HB1 ALA 13 1HB ALA 13 -9.907 -14.543 -9.062 102 HB2 ALA 13 2HB ALA 13 -9.198 -13.251 -8.091 103 HB3 ALA 13 3HB ALA 13 -9.874 -14.675 -7.307 104 H SER 14 H SER 14 -8.322 -15.890 -5.905 105 HA SER 14 HA SER 14 -6.788 -14.077 -4.446 106 HB2 SER 14 2HB SER 14 -7.612 -16.898 -3.715 107 HB3 SER 14 1HB SER 14 -7.014 -15.682 -2.583 108 HG SER 14 HG SER 14 -9.401 -15.575 -4.132 109 H LYS 15 H LYS 15 -5.958 -17.329 -5.670 110 HA LYS 15 HA LYS 15 -3.345 -17.566 -4.655 111 HB2 LYS 15 2HB LYS 15 -4.412 -18.522 -7.330 112 HB3 LYS 15 1HB LYS 15 -2.895 -19.018 -6.617 113 HG2 LYS 15 2HG LYS 15 -4.030 -20.185 -4.853 114 HG3 LYS 15 1HG LYS 15 -5.584 -19.523 -5.365 115 HD2 LYS 15 2HD LYS 15 -5.341 -21.836 -6.126 116 HD3 LYS 15 1HD LYS 15 -5.398 -20.736 -7.500 117 HE2 LYS 15 2HE LYS 15 -2.891 -20.834 -7.575 118 HE3 LYS 15 1HE LYS 15 -2.962 -22.054 -6.307 119 HZ1 LYS 15 1HZ LYS 15 -4.066 -22.276 -9.055 120 HZ2 LYS 15 2HZ LYS 15 -4.302 -23.450 -7.882 121 HZ3 LYS 15 3HZ LYS 15 -2.749 -23.099 -8.428 122 H ASN 16 H ASN 16 -4.512 -16.329 -7.705 123 HA ASN 16 HA ASN 16 -2.174 -15.639 -9.000 124 HB2 ASN 16 2HB ASN 16 -4.499 -15.754 -9.926 125 HB3 ASN 16 1HB ASN 16 -4.831 -14.218 -9.149 126 HD21 ASN 16 1HD2 ASN 16 -3.373 -15.827 -11.760 127 HD22 ASN 16 2HD2 ASN 16 -2.894 -14.432 -12.646 128 H GLN 17 H GLN 17 -4.286 -13.614 -7.009 129 HA GLN 17 HA GLN 17 -2.640 -11.313 -7.253 130 HB2 GLN 17 2HB GLN 17 -5.046 -11.145 -6.978 131 HB3 GLN 17 1HB GLN 17 -4.950 -11.945 -5.422 132 HG2 GLN 17 2HG GLN 17 -3.826 -10.059 -4.466 133 HG3 GLN 17 1HG GLN 17 -3.708 -9.281 -6.048 134 HE21 GLN 17 1HE2 GLN 17 -5.028 -8.346 -3.585 135 HE22 GLN 17 2HE2 GLN 17 -6.666 -8.085 -4.035 136 H LEU 18 H LEU 18 -3.145 -13.699 -4.683 137 HA LEU 18 HA LEU 18 -1.558 -12.485 -2.731 138 HB2 LEU 18 2HB LEU 18 -3.177 -14.249 -2.238 139 HB3 LEU 18 1HB LEU 18 -2.305 -15.378 -3.225 140 HG LEU 18 HG LEU 18 -2.227 -15.669 -0.698 141 HD11 LEU 18 1HD1 LEU 18 -0.770 -16.902 -2.131 142 HD12 LEU 18 2HD1 LEU 18 0.089 -16.405 -0.678 143 HD13 LEU 18 3HD1 LEU 18 0.368 -15.553 -2.204 144 HD21 LEU 18 1HD2 LEU 18 -0.527 -14.382 0.497 145 HD22 LEU 18 2HD2 LEU 18 -1.841 -13.361 -0.084 146 HD23 LEU 18 3HD2 LEU 18 -0.295 -13.374 -0.934 147 H GLU 19 H GLU 19 -0.746 -14.839 -5.212 148 HA GLU 19 HA GLU 19 1.952 -15.198 -4.537 149 HB2 GLU 19 2HB GLU 19 0.653 -16.676 -6.013 150 HB3 GLU 19 1HB GLU 19 0.603 -15.407 -7.223 151 HG2 GLU 19 2HG GLU 19 3.080 -15.475 -7.283 152 HG3 GLU 19 1HG GLU 19 3.011 -16.887 -6.233 153 H SER 20 H SER 20 0.405 -13.086 -6.976 154 HA SER 20 HA SER 20 2.828 -12.045 -7.928 155 HB2 SER 20 2HB SER 20 0.040 -10.920 -8.185 156 HB3 SER 20 1HB SER 20 1.429 -10.480 -9.181 157 HG SER 20 HG SER 20 -0.143 -12.756 -9.196 158 H ILE 21 H ILE 21 0.636 -10.908 -5.395 159 HA ILE 21 HA ILE 21 1.997 -8.466 -5.111 160 HB ILE 21 HB ILE 21 0.018 -9.863 -3.320 161 HG12 ILE 21 2HG1 ILE 21 -0.042 -7.450 -5.139 162 HG13 ILE 21 1HG1 ILE 21 -0.842 -8.993 -5.392 163 HG21 ILE 21 1HG2 ILE 21 -0.047 -7.809 -1.972 164 HG22 ILE 21 2HG2 ILE 21 1.281 -7.140 -2.930 165 HG23 ILE 21 3HG2 ILE 21 1.557 -8.549 -1.910 166 HD11 ILE 21 1HD1 ILE 21 -2.368 -7.258 -4.702 167 HD12 ILE 21 2HD1 ILE 21 -1.408 -7.041 -3.225 168 HD13 ILE 21 3HD1 ILE 21 -2.275 -8.563 -3.506 169 H ALA 22 H ALA 22 2.352 -11.648 -3.596 170 HA ALA 22 HA ALA 22 4.264 -10.907 -1.672 171 HB1 ALA 22 1HB ALA 22 3.150 -13.112 -1.648 172 HB2 ALA 22 2HB ALA 22 4.900 -13.299 -1.654 173 HB3 ALA 22 3HB ALA 22 3.980 -13.544 -3.141 174 H TYR 23 H TYR 23 4.553 -11.888 -5.054 175 HA TYR 23 HA TYR 23 7.353 -11.670 -5.235 176 HB2 TYR 23 2HB TYR 23 5.221 -11.352 -7.339 177 HB3 TYR 23 1HB TYR 23 6.928 -11.166 -7.704 178 HD1 TYR 23 1HD TYR 23 4.435 -13.317 -8.237 179 HD2 TYR 23 2HD TYR 23 8.240 -13.319 -6.357 180 HE1 TYR 23 1HE TYR 23 4.638 -15.732 -8.642 181 HE2 TYR 23 2HE TYR 23 8.444 -15.722 -6.758 182 HH TYR 23 HH TYR 23 6.409 -17.373 -8.877 183 H SER 24 H SER 24 4.804 -9.281 -5.707 184 HA SER 24 HA SER 24 6.418 -7.186 -6.625 185 HB2 SER 24 2HB SER 24 3.836 -7.023 -5.061 186 HB3 SER 24 1HB SER 24 4.566 -5.695 -5.963 187 HG SER 24 HG SER 24 3.769 -8.186 -7.100 188 H LEU 25 H LEU 25 5.547 -8.129 -3.343 189 HA LEU 25 HA LEU 25 6.706 -5.983 -1.975 190 HB2 LEU 25 2HB LEU 25 5.262 -7.677 -0.902 191 HB3 LEU 25 1HB LEU 25 6.522 -8.875 -1.138 192 HG LEU 25 HG LEU 25 7.984 -7.676 0.420 193 HD11 LEU 25 1HD1 LEU 25 5.638 -5.813 0.779 194 HD12 LEU 25 2HD1 LEU 25 7.196 -5.402 0.062 195 HD13 LEU 25 3HD1 LEU 25 7.097 -5.827 1.768 196 HD21 LEU 25 1HD2 LEU 25 5.235 -8.245 1.512 197 HD22 LEU 25 2HD2 LEU 25 6.703 -8.114 2.473 198 HD23 LEU 25 3HD2 LEU 25 6.534 -9.416 1.296 199 H LYS 26 H LYS 26 8.051 -9.091 -2.964 200 HA LYS 26 HA LYS 26 10.630 -8.611 -1.963 201 HB2 LYS 26 2HB LYS 26 9.725 -10.419 -4.187 202 HB3 LYS 26 1HB LYS 26 11.347 -10.427 -3.505 203 HG2 LYS 26 2HG LYS 26 10.331 -10.944 -1.302 204 HG3 LYS 26 1HG LYS 26 8.776 -11.104 -2.114 205 HD2 LYS 26 2HD LYS 26 11.248 -12.668 -2.808 206 HD3 LYS 26 1HD LYS 26 9.978 -13.260 -1.747 207 HE2 LYS 26 2HE LYS 26 8.376 -13.200 -3.568 208 HE3 LYS 26 1HE LYS 26 9.570 -12.459 -4.636 209 HZ1 LYS 26 1HZ LYS 26 10.033 -15.081 -3.357 210 HZ2 LYS 26 2HZ LYS 26 10.828 -14.441 -4.683 211 HZ3 LYS 26 3HZ LYS 26 9.258 -14.997 -4.843 212 H ASN 27 H ASN 27 9.209 -8.115 -5.131 213 HA ASN 27 HA ASN 27 11.530 -7.308 -6.453 214 HB2 ASN 27 2HB ASN 27 8.658 -6.548 -7.052 215 HB3 ASN 27 1HB ASN 27 10.011 -6.178 -8.110 216 HD21 ASN 27 1HD2 ASN 27 7.682 -7.802 -8.715 217 HD22 ASN 27 2HD2 ASN 27 8.277 -9.373 -9.087 218 H THR 28 H THR 28 9.082 -5.291 -4.822 219 HA THR 28 HA THR 28 10.307 -2.879 -5.517 220 HB THR 28 HB THR 28 8.568 -3.386 -3.092 221 HG1 THR 28 1HG THR 28 8.038 -3.538 -5.719 222 HG21 THR 28 1HG2 THR 28 7.975 -0.995 -3.366 223 HG22 THR 28 2HG2 THR 28 9.150 -0.871 -4.675 224 HG23 THR 28 3HG2 THR 28 9.693 -1.215 -3.034 225 H ILE 29 H ILE 29 10.797 -4.889 -2.580 226 HA ILE 29 HA ILE 29 12.633 -2.924 -1.634 227 HB ILE 29 HB ILE 29 12.081 -5.703 -0.445 228 HG12 ILE 29 2HG1 ILE 29 11.285 -4.337 1.514 229 HG13 ILE 29 1HG1 ILE 29 11.498 -2.900 0.542 230 HG21 ILE 29 1HG2 ILE 29 13.926 -3.600 0.614 231 HG22 ILE 29 2HG2 ILE 29 14.401 -5.135 -0.099 232 HG23 ILE 29 3HG2 ILE 29 13.483 -5.111 1.416 233 HD11 ILE 29 1HD1 ILE 29 9.190 -3.528 0.670 234 HD12 ILE 29 2HD1 ILE 29 9.559 -5.133 0.043 235 HD13 ILE 29 3HD1 ILE 29 9.768 -3.712 -0.989 236 H SER 30 H SER 30 12.993 -5.769 -3.599 237 HA SER 30 HA SER 30 15.817 -5.910 -3.331 238 HB2 SER 30 2HB SER 30 14.083 -6.841 -5.645 239 HB3 SER 30 1HB SER 30 15.760 -7.312 -5.357 240 HG SER 30 HG SER 30 13.455 -7.901 -3.867 241 H GLU 31 H GLU 31 13.661 -4.158 -5.526 242 HA GLU 31 HA GLU 31 15.702 -2.973 -7.084 243 HB2 GLU 31 2HB GLU 31 12.857 -2.132 -6.532 244 HB3 GLU 31 1HB GLU 31 13.903 -1.309 -7.680 245 HG2 GLU 31 2HG GLU 31 14.068 -3.357 -8.996 246 HG3 GLU 31 1HG GLU 31 13.044 -4.190 -7.828 247 H ALA 32 H ALA 32 14.497 -2.349 -3.962 248 HA ALA 32 HA ALA 32 15.523 0.330 -3.764 249 HB1 ALA 32 1HB ALA 32 14.620 -1.597 -1.618 250 HB2 ALA 32 2HB ALA 32 13.611 -0.382 -2.399 251 HB3 ALA 32 3HB ALA 32 14.956 0.116 -1.373 252 H GLY 33 H GLY 33 16.364 -2.789 -2.303 253 HA2 GLY 33 2HA GLY 33 18.342 -3.761 -1.751 254 HA3 GLY 33 1HA GLY 33 19.085 -2.713 -2.941 255 H ASP 34 H ASP 34 19.904 -0.752 -2.295 256 HA ASP 34 HA ASP 34 21.188 -0.859 0.300 257 HB2 ASP 34 2HB ASP 34 22.457 -0.267 -1.721 258 HB3 ASP 34 1HB ASP 34 21.418 1.122 -1.982 259 H LYS 35 H LYS 35 18.471 0.579 -1.060 260 HA LYS 35 HA LYS 35 18.437 2.987 0.484 261 HB2 LYS 35 2HB LYS 35 16.177 1.676 -1.019 262 HB3 LYS 35 1HB LYS 35 16.203 3.324 -0.421 263 HG2 LYS 35 2HG LYS 35 18.022 3.871 -1.917 264 HG3 LYS 35 1HG LYS 35 18.081 2.203 -2.477 265 HD2 LYS 35 2HD LYS 35 15.806 2.408 -3.311 266 HD3 LYS 35 1HD LYS 35 15.755 4.102 -2.796 267 HE2 LYS 35 2HE LYS 35 17.715 4.530 -4.259 268 HE3 LYS 35 1HE LYS 35 17.614 2.866 -4.817 269 HZ1 LYS 35 1HZ LYS 35 15.530 4.949 -5.174 270 HZ2 LYS 35 2HZ LYS 35 15.380 3.353 -5.662 271 HZ3 LYS 35 3HZ LYS 35 16.554 4.342 -6.364 272 H LEU 36 H LEU 36 17.652 -0.241 1.283 273 HA LEU 36 HA LEU 36 16.134 0.740 3.560 274 HB2 LEU 36 2HB LEU 36 14.566 0.019 1.778 275 HB3 LEU 36 1HB LEU 36 15.259 -1.582 1.859 276 HG LEU 36 HG LEU 36 14.161 -0.509 4.403 277 HD11 LEU 36 1HD1 LEU 36 11.893 -1.064 3.751 278 HD12 LEU 36 2HD1 LEU 36 12.439 -1.417 2.105 279 HD13 LEU 36 3HD1 LEU 36 12.545 0.228 2.746 280 HD21 LEU 36 1HD2 LEU 36 13.949 -3.149 2.966 281 HD22 LEU 36 2HD2 LEU 36 13.387 -2.798 4.601 282 HD23 LEU 36 3HD2 LEU 36 15.112 -2.740 4.228 283 H GLU 37 H GLU 37 16.225 -0.448 5.380 284 HA GLU 37 HA GLU 37 18.690 -1.594 5.958 285 HB2 GLU 37 2HB GLU 37 17.552 -2.159 8.183 286 HB3 GLU 37 1HB GLU 37 17.688 -0.472 7.721 287 HG2 GLU 37 2HG GLU 37 15.210 -1.908 6.987 288 HG3 GLU 37 1HG GLU 37 15.433 -1.499 8.684 289 H GLN 38 H GLN 38 19.408 -3.563 6.285 290 HA GLN 38 HA GLN 38 18.469 -5.628 4.695 291 HB2 GLN 38 2HB GLN 38 20.812 -5.318 5.469 292 HB3 GLN 38 1HB GLN 38 20.332 -5.901 7.054 293 HG2 GLN 38 2HG GLN 38 21.371 -7.699 5.862 294 HG3 GLN 38 1HG GLN 38 19.646 -8.042 6.002 295 HE21 GLN 38 1HE2 GLN 38 22.218 -7.193 3.880 296 HE22 GLN 38 2HE2 GLN 38 21.385 -7.454 2.393 297 H ALA 39 H ALA 39 18.037 -5.153 8.178 298 HA ALA 39 HA ALA 39 16.940 -7.699 8.686 299 HB1 ALA 39 1HB ALA 39 16.139 -6.805 10.801 300 HB2 ALA 39 2HB ALA 39 16.441 -5.164 10.229 301 HB3 ALA 39 3HB ALA 39 17.789 -6.269 10.486 302 H ASP 40 H ASP 40 15.314 -4.618 8.014 303 HA ASP 40 HA ASP 40 12.670 -5.637 8.098 304 HB2 ASP 40 2HB ASP 40 13.902 -3.287 6.685 305 HB3 ASP 40 1HB ASP 40 12.212 -3.671 6.493 306 H LYS 41 H LYS 41 14.985 -5.194 5.541 307 HA LYS 41 HA LYS 41 13.565 -5.992 3.324 308 HB2 LYS 41 2HB LYS 41 15.731 -4.902 3.261 309 HB3 LYS 41 1HB LYS 41 16.484 -6.295 4.003 310 HG2 LYS 41 2HG LYS 41 16.278 -7.569 2.034 311 HG3 LYS 41 1HG LYS 41 15.178 -6.400 1.296 312 HD2 LYS 41 2HD LYS 41 16.968 -4.710 1.307 313 HD3 LYS 41 1HD LYS 41 18.067 -5.873 2.043 314 HE2 LYS 41 2HE LYS 41 16.736 -6.257 -0.627 315 HE3 LYS 41 1HE LYS 41 18.336 -5.554 -0.424 316 HZ1 LYS 41 1HZ LYS 41 17.575 -8.260 0.518 317 HZ2 LYS 41 2HZ LYS 41 19.137 -7.596 0.493 318 HZ3 LYS 41 3HZ LYS 41 18.335 -7.945 -0.938 319 H ASP 42 H ASP 42 15.545 -7.989 5.472 320 HA ASP 42 HA ASP 42 15.034 -10.493 4.214 321 HB2 ASP 42 2HB ASP 42 16.925 -10.184 5.726 322 HB3 ASP 42 1HB ASP 42 15.835 -9.819 7.051 323 H THR 43 H THR 43 13.441 -8.816 6.841 324 HA THR 43 HA THR 43 11.742 -10.914 7.581 325 HB THR 43 HB THR 43 11.237 -7.933 7.893 326 HG1 THR 43 1HG THR 43 13.160 -8.372 8.852 327 HG21 THR 43 1HG2 THR 43 9.892 -8.621 9.840 328 HG22 THR 43 2HG2 THR 43 10.223 -10.317 9.479 329 HG23 THR 43 3HG2 THR 43 9.257 -9.349 8.363 330 H VAL 44 H VAL 44 11.123 -8.168 5.362 331 HA VAL 44 HA VAL 44 8.521 -9.091 4.730 332 HB VAL 44 HB VAL 44 8.753 -7.665 2.634 333 HG11 VAL 44 1HG1 VAL 44 8.931 -6.454 5.407 334 HG12 VAL 44 2HG1 VAL 44 7.462 -6.978 4.583 335 HG13 VAL 44 3HG1 VAL 44 8.363 -5.585 3.982 336 HG21 VAL 44 1HG2 VAL 44 11.158 -7.441 2.559 337 HG22 VAL 44 2HG2 VAL 44 11.164 -6.648 4.136 338 HG23 VAL 44 3HG2 VAL 44 10.411 -5.857 2.751 339 H THR 45 H THR 45 11.519 -9.382 2.911 340 HA THR 45 HA THR 45 10.364 -10.745 0.795 341 HB THR 45 HB THR 45 12.578 -11.626 0.337 342 HG1 THR 45 1HG THR 45 13.535 -9.920 2.415 343 HG21 THR 45 1HG2 THR 45 13.603 -9.407 -0.217 344 HG22 THR 45 2HG2 THR 45 12.367 -8.645 0.783 345 HG23 THR 45 3HG2 THR 45 11.906 -9.540 -0.667 346 H LYS 46 H LYS 46 11.883 -12.069 3.753 347 HA LYS 46 HA LYS 46 11.418 -14.733 2.982 348 HB2 LYS 46 2HB LYS 46 11.930 -13.485 5.634 349 HB3 LYS 46 1HB LYS 46 11.410 -15.163 5.502 350 HG2 LYS 46 2HG LYS 46 13.337 -15.688 4.133 351 HG3 LYS 46 1HG LYS 46 13.847 -13.998 4.175 352 HD2 LYS 46 2HD LYS 46 15.059 -15.443 5.779 353 HD3 LYS 46 1HD LYS 46 14.214 -14.110 6.557 354 HE2 LYS 46 2HE LYS 46 12.347 -15.744 7.068 355 HE3 LYS 46 1HE LYS 46 13.394 -17.027 6.448 356 HZ1 LYS 46 1HZ LYS 46 14.983 -16.461 8.194 357 HZ2 LYS 46 2HZ LYS 46 13.494 -16.867 8.825 358 HZ3 LYS 46 3HZ LYS 46 13.938 -15.250 8.758 359 H LYS 47 H LYS 47 9.381 -12.447 4.750 360 HA LYS 47 HA LYS 47 7.371 -14.305 5.417 361 HB2 LYS 47 2HB LYS 47 7.664 -11.719 6.057 362 HB3 LYS 47 1HB LYS 47 6.688 -11.472 4.628 363 HG2 LYS 47 2HG LYS 47 5.805 -13.133 7.001 364 HG3 LYS 47 1HG LYS 47 5.413 -11.438 6.780 365 HD2 LYS 47 2HD LYS 47 4.213 -11.992 4.711 366 HD3 LYS 47 1HD LYS 47 4.619 -13.690 4.933 367 HE2 LYS 47 2HE LYS 47 3.002 -12.053 6.898 368 HE3 LYS 47 1HE LYS 47 2.294 -13.062 5.647 369 HZ1 LYS 47 1HZ LYS 47 3.976 -14.043 7.926 370 HZ2 LYS 47 2HZ LYS 47 3.345 -14.994 6.695 371 HZ3 LYS 47 3HZ LYS 47 2.307 -14.239 7.746 372 H ALA 48 H ALA 48 8.137 -12.533 2.500 373 HA ALA 48 HA ALA 48 5.808 -13.267 1.049 374 HB1 ALA 48 1HB ALA 48 7.062 -12.505 -0.923 375 HB2 ALA 48 2HB ALA 48 8.532 -12.414 0.053 376 HB3 ALA 48 3HB ALA 48 7.177 -11.346 0.399 377 H GLU 49 H GLU 49 9.081 -14.625 1.266 378 HA GLU 49 HA GLU 49 8.781 -16.756 -0.537 379 HB2 GLU 49 2HB GLU 49 10.407 -16.657 2.016 380 HB3 GLU 49 1HB GLU 49 10.568 -17.880 0.771 381 HG2 GLU 49 2HG GLU 49 11.076 -14.942 0.356 382 HG3 GLU 49 1HG GLU 49 12.322 -16.138 0.707 383 H GLU 50 H GLU 50 8.027 -16.505 2.915 384 HA GLU 50 HA GLU 50 7.214 -19.179 3.305 385 HB2 GLU 50 2HB GLU 50 6.404 -16.674 4.805 386 HB3 GLU 50 1HB GLU 50 6.141 -18.324 5.358 387 HG2 GLU 50 2HG GLU 50 8.524 -18.688 5.514 388 HG3 GLU 50 1HG GLU 50 8.834 -17.084 4.853 389 H THR 51 H THR 51 5.643 -16.283 2.245 390 HA THR 51 HA THR 51 3.047 -17.267 2.333 391 HB THR 51 HB THR 51 4.211 -15.028 0.673 392 HG1 THR 51 1HG THR 51 4.389 -14.519 2.797 393 HG21 THR 51 1HG2 THR 51 1.336 -15.636 1.351 394 HG22 THR 51 2HG2 THR 51 2.077 -15.747 -0.250 395 HG23 THR 51 3HG2 THR 51 1.913 -14.180 0.544 396 H ILE 52 H ILE 52 5.495 -17.177 -0.192 397 HA ILE 52 HA ILE 52 4.002 -18.342 -2.296 398 HB ILE 52 HB ILE 52 6.987 -18.613 -1.782 399 HG12 ILE 52 2HG1 ILE 52 6.370 -16.245 -1.860 400 HG13 ILE 52 1HG1 ILE 52 7.301 -16.679 -3.281 401 HG21 ILE 52 1HG2 ILE 52 6.215 -20.210 -3.429 402 HG22 ILE 52 2HG2 ILE 52 7.200 -18.969 -4.201 403 HG23 ILE 52 3HG2 ILE 52 5.444 -18.921 -4.356 404 HD11 ILE 52 1HD1 ILE 52 4.325 -16.273 -3.134 405 HD12 ILE 52 2HD1 ILE 52 5.211 -16.766 -4.582 406 HD13 ILE 52 3HD1 ILE 52 5.514 -15.185 -3.853 407 H SER 53 H SER 53 6.133 -19.690 0.172 408 HA SER 53 HA SER 53 5.920 -22.385 -0.508 409 HB2 SER 53 2HB SER 53 7.622 -21.464 1.045 410 HB3 SER 53 1HB SER 53 6.356 -21.161 2.232 411 HG SER 53 HG SER 53 7.334 -23.612 1.259 412 H TRP 54 H TRP 54 3.919 -20.358 1.610 413 HA TRP 54 HA TRP 54 2.248 -22.341 2.610 414 HB2 TRP 54 2HB TRP 54 2.342 -19.969 3.435 415 HB3 TRP 54 1HB TRP 54 1.469 -19.479 1.995 416 HD1 TRP 54 HD TRP 54 0.968 -21.200 5.351 417 HE1 TRP 54 1HE TRP 54 -1.539 -21.489 5.798 418 HE3 TRP 54 3HE TRP 54 -0.857 -19.765 0.789 419 HZ2 TRP 54 2HZ TRP 54 -3.969 -21.170 4.416 420 HZ3 TRP 54 3HZ TRP 54 -3.288 -19.792 0.441 421 HH2 TRP 54 HH TRP 54 -4.807 -20.475 2.213 422 H LEU 55 H LEU 55 1.887 -20.267 -0.252 423 HA LEU 55 HA LEU 55 -0.629 -21.205 -1.106 424 HB2 LEU 55 2HB LEU 55 0.826 -19.162 -1.861 425 HB3 LEU 55 1HB LEU 55 1.558 -20.286 -2.972 426 HG LEU 55 HG LEU 55 -1.343 -19.409 -2.958 427 HD11 LEU 55 1HD1 LEU 55 0.877 -18.810 -4.879 428 HD12 LEU 55 2HD1 LEU 55 0.186 -17.697 -3.706 429 HD13 LEU 55 3HD1 LEU 55 -0.802 -18.298 -5.040 430 HD21 LEU 55 1HD2 LEU 55 0.079 -21.216 -4.921 431 HD22 LEU 55 2HD2 LEU 55 -1.562 -20.596 -5.097 432 HD23 LEU 55 3HD2 LEU 55 -1.175 -21.713 -3.787 433 H ASP 56 H ASP 56 2.635 -22.310 -1.692 434 HA ASP 56 HA ASP 56 2.086 -24.182 -3.748 435 HB2 ASP 56 2HB ASP 56 4.306 -23.150 -3.367 436 HB3 ASP 56 1HB ASP 56 4.422 -23.997 -1.836 437 H SER 57 H SER 57 1.916 -24.262 -0.308 438 HA SER 57 HA SER 57 1.810 -27.151 -0.354 439 HB2 SER 57 2HB SER 57 1.896 -25.321 2.047 440 HB3 SER 57 1HB SER 57 2.128 -27.074 2.046 441 HG SER 57 HG SER 57 3.777 -25.067 0.936 442 H ASN 58 H ASN 58 -0.269 -24.458 -0.188 443 HA ASN 58 HA ASN 58 -2.506 -26.016 0.966 444 HB2 ASN 58 2HB ASN 58 -1.801 -23.102 1.383 445 HB3 ASN 58 1HB ASN 58 -3.345 -23.797 1.838 446 HD21 ASN 58 1HD2 ASN 58 0.033 -23.697 2.466 447 HD22 ASN 58 2HD2 ASN 58 0.008 -24.388 4.048 448 H THR 59 H THR 59 -1.826 -25.842 -1.774 449 HA THR 59 HA THR 59 -3.002 -23.796 -3.198 450 HB THR 59 HB THR 59 -2.743 -26.668 -4.049 451 HG1 THR 59 1HG THR 59 -0.831 -24.735 -3.306 452 HG21 THR 59 1HG2 THR 59 -3.722 -25.042 -5.606 453 HG22 THR 59 2HG2 THR 59 -2.133 -25.617 -6.151 454 HG23 THR 59 3HG2 THR 59 -2.293 -24.027 -5.387 455 H THR 60 H THR 60 -4.332 -26.732 -1.776 456 HA THR 60 HA THR 60 -6.879 -26.395 -3.098 457 HB THR 60 HB THR 60 -7.261 -28.606 -1.766 458 HG1 THR 60 1HG THR 60 -5.544 -28.755 -0.461 459 HG21 THR 60 1HG2 THR 60 -5.265 -28.413 -4.032 460 HG22 THR 60 2HG2 THR 60 -7.020 -28.507 -4.203 461 HG23 THR 60 3HG2 THR 60 -6.120 -29.877 -3.555 462 H ALA 61 H ALA 61 -5.762 -24.688 -0.745 463 HA ALA 61 HA ALA 61 -7.567 -25.302 1.416 464 HB1 ALA 61 1HB ALA 61 -6.638 -23.302 2.483 465 HB2 ALA 61 2HB ALA 61 -5.792 -22.894 0.988 466 HB3 ALA 61 3HB ALA 61 -5.359 -24.354 1.878 467 H SER 62 H SER 62 -8.689 -23.106 2.300 468 HA SER 62 HA SER 62 -10.764 -22.624 0.400 469 HB2 SER 62 2HB SER 62 -10.418 -21.143 3.006 470 HB3 SER 62 1HB SER 62 -11.908 -21.619 2.200 471 HG SER 62 HG SER 62 -10.046 -23.180 3.587 472 H LYS 63 H LYS 63 -11.220 -20.547 -0.537 473 HA LYS 63 HA LYS 63 -8.952 -19.027 -1.320 474 HB2 LYS 63 2HB LYS 63 -10.426 -17.672 -2.577 475 HB3 LYS 63 1HB LYS 63 -11.195 -19.247 -2.556 476 HG2 LYS 63 2HG LYS 63 -12.452 -18.229 -0.477 477 HG3 LYS 63 1HG LYS 63 -12.004 -16.705 -1.235 478 HD2 LYS 63 2HD LYS 63 -14.133 -17.204 -2.078 479 HD3 LYS 63 1HD LYS 63 -13.015 -17.662 -3.362 480 HE2 LYS 63 2HE LYS 63 -14.734 -19.363 -3.029 481 HE3 LYS 63 1HE LYS 63 -13.132 -20.003 -2.673 482 HZ1 LYS 63 1HZ LYS 63 -14.759 -20.681 -0.966 483 HZ2 LYS 63 2HZ LYS 63 -15.129 -19.082 -0.663 484 HZ3 LYS 63 3HZ LYS 63 -13.653 -19.638 -0.240 485 H GLU 64 H GLU 64 -11.292 -18.704 1.212 486 HA GLU 64 HA GLU 64 -10.842 -16.174 2.220 487 HB2 GLU 64 2HB GLU 64 -11.534 -18.767 3.614 488 HB3 GLU 64 1HB GLU 64 -11.596 -17.202 4.392 489 HG2 GLU 64 2HG GLU 64 -13.821 -17.920 3.801 490 HG3 GLU 64 1HG GLU 64 -13.385 -16.519 2.844 491 H GLU 65 H GLU 65 -9.023 -19.144 2.595 492 HA GLU 65 HA GLU 65 -7.395 -18.250 4.751 493 HB2 GLU 65 2HB GLU 65 -7.076 -20.528 2.794 494 HB3 GLU 65 1HB GLU 65 -6.008 -20.261 4.166 495 HG2 GLU 65 2HG GLU 65 -7.865 -20.570 5.696 496 HG3 GLU 65 1HG GLU 65 -8.974 -20.757 4.349 497 H PHE 66 H PHE 66 -7.014 -18.433 1.241 498 HA PHE 66 HA PHE 66 -4.357 -17.470 1.079 499 HB2 PHE 66 2HB PHE 66 -6.634 -17.195 -0.909 500 HB3 PHE 66 1HB PHE 66 -4.979 -16.740 -1.255 501 HD1 PHE 66 1HD PHE 66 -7.207 -19.579 -0.512 502 HD2 PHE 66 2HD PHE 66 -3.389 -18.369 -1.921 503 HE1 PHE 66 1HE PHE 66 -6.793 -21.856 -1.319 504 HE2 PHE 66 2HE PHE 66 -2.967 -20.663 -2.726 505 HZ PHE 66 HZ PHE 66 -4.672 -22.398 -2.424 506 H ASP 67 H ASP 67 -7.466 -15.884 1.210 507 HA ASP 67 HA ASP 67 -6.688 -13.248 0.763 508 HB2 ASP 67 2HB ASP 67 -8.994 -13.824 0.671 509 HB3 ASP 67 1HB ASP 67 -8.967 -14.442 2.314 510 H ASP 68 H ASP 68 -6.829 -15.084 3.786 511 HA ASP 68 HA ASP 68 -6.143 -12.793 5.373 512 HB2 ASP 68 2HB ASP 68 -7.354 -14.883 6.246 513 HB3 ASP 68 1HB ASP 68 -5.756 -15.627 6.284 514 H LYS 69 H LYS 69 -4.341 -15.254 3.781 515 HA LYS 69 HA LYS 69 -1.838 -14.652 4.980 516 HB2 LYS 69 2HB LYS 69 -2.351 -15.758 2.211 517 HB3 LYS 69 1HB LYS 69 -0.824 -15.821 3.072 518 HG2 LYS 69 2HG LYS 69 -3.378 -17.247 3.811 519 HG3 LYS 69 1HG LYS 69 -1.918 -17.972 3.153 520 HD2 LYS 69 2HD LYS 69 -2.135 -16.593 5.837 521 HD3 LYS 69 1HD LYS 69 -2.142 -18.332 5.579 522 HE2 LYS 69 2HE LYS 69 0.114 -18.227 4.670 523 HE3 LYS 69 1HE LYS 69 0.108 -16.469 4.842 524 HZ1 LYS 69 1HZ LYS 69 1.279 -17.499 6.655 525 HZ2 LYS 69 2HZ LYS 69 -0.068 -18.424 7.073 526 HZ3 LYS 69 3HZ LYS 69 -0.122 -16.730 7.201 527 H LEU 70 H LEU 70 -3.567 -13.410 2.194 528 HA LEU 70 HA LEU 70 -1.587 -11.638 1.258 529 HB2 LEU 70 2HB LEU 70 -3.643 -12.337 -0.023 530 HB3 LEU 70 1HB LEU 70 -4.611 -11.405 1.080 531 HG LEU 70 HG LEU 70 -4.216 -10.410 -1.222 532 HD11 LEU 70 1HD1 LEU 70 -5.063 -9.027 0.580 533 HD12 LEU 70 2HD1 LEU 70 -3.943 -8.117 -0.433 534 HD13 LEU 70 3HD1 LEU 70 -3.420 -8.722 1.137 535 HD21 LEU 70 1HD2 LEU 70 -2.108 -9.208 -1.572 536 HD22 LEU 70 2HD2 LEU 70 -1.862 -10.951 -1.454 537 HD23 LEU 70 3HD2 LEU 70 -1.471 -9.908 -0.089 538 H LYS 71 H LYS 71 -4.262 -11.261 3.492 539 HA LYS 71 HA LYS 71 -3.909 -8.618 4.246 540 HB2 LYS 71 2HB LYS 71 -4.891 -10.985 5.831 541 HB3 LYS 71 1HB LYS 71 -4.943 -9.329 6.420 542 HG2 LYS 71 2HG LYS 71 -6.514 -8.677 4.786 543 HG3 LYS 71 1HG LYS 71 -6.247 -10.135 3.832 544 HD2 LYS 71 2HD LYS 71 -8.375 -10.092 5.110 545 HD3 LYS 71 1HD LYS 71 -7.401 -11.489 5.487 546 HE2 LYS 71 2HE LYS 71 -6.536 -10.093 7.459 547 HE3 LYS 71 1HE LYS 71 -7.896 -9.019 7.118 548 HZ1 LYS 71 1HZ LYS 71 -8.517 -10.629 8.766 549 HZ2 LYS 71 2HZ LYS 71 -7.969 -11.878 7.812 550 HZ3 LYS 71 3HZ LYS 71 -9.352 -11.011 7.347 551 H GLU 72 H GLU 72 -2.401 -11.538 5.630 552 HA GLU 72 HA GLU 72 -0.822 -10.297 7.606 553 HB2 GLU 72 2HB GLU 72 -0.221 -12.731 5.936 554 HB3 GLU 72 1HB GLU 72 0.744 -12.217 7.296 555 HG2 GLU 72 2HG GLU 72 -1.207 -12.578 8.752 556 HG3 GLU 72 1HG GLU 72 -2.088 -13.208 7.350 557 H LEU 73 H LEU 73 -0.087 -11.118 4.262 558 HA LEU 73 HA LEU 73 2.569 -10.329 4.195 559 HB2 LEU 73 2HB LEU 73 1.259 -11.769 2.565 560 HB3 LEU 73 1HB LEU 73 0.567 -10.311 1.918 561 HG LEU 73 HG LEU 73 2.363 -11.315 0.524 562 HD11 LEU 73 1HD1 LEU 73 3.606 -9.275 0.055 563 HD12 LEU 73 2HD1 LEU 73 2.998 -8.575 1.561 564 HD13 LEU 73 3HD1 LEU 73 1.878 -8.972 0.263 565 HD21 LEU 73 1HD2 LEU 73 4.683 -11.149 1.229 566 HD22 LEU 73 2HD2 LEU 73 3.740 -12.167 2.326 567 HD23 LEU 73 3HD2 LEU 73 4.162 -10.523 2.795 568 H GLN 74 H GLN 74 -0.385 -8.534 3.426 569 HA GLN 74 HA GLN 74 0.976 -6.150 2.714 570 HB2 GLN 74 2HB GLN 74 -1.901 -6.693 3.390 571 HB3 GLN 74 1HB GLN 74 -1.308 -5.111 2.896 572 HG2 GLN 74 2HG GLN 74 -1.040 -7.623 1.272 573 HG3 GLN 74 1HG GLN 74 -2.306 -6.415 1.055 574 HE21 GLN 74 1HE2 GLN 74 1.093 -7.087 0.723 575 HE22 GLN 74 2HE2 GLN 74 1.446 -5.747 -0.319 576 H ASP 75 H ASP 75 -0.358 -7.345 5.733 577 HA ASP 75 HA ASP 75 -0.176 -4.856 7.079 578 HB2 ASP 75 2HB ASP 75 -1.622 -6.675 7.912 579 HB3 ASP 75 1HB ASP 75 -0.195 -7.641 8.264 580 H ILE 76 H ILE 76 2.015 -7.555 6.725 581 HA ILE 76 HA ILE 76 4.027 -6.456 8.430 582 HB ILE 76 HB ILE 76 4.180 -8.605 6.288 583 HG12 ILE 76 2HG1 ILE 76 2.845 -9.229 8.236 584 HG13 ILE 76 1HG1 ILE 76 4.330 -10.168 8.194 585 HG21 ILE 76 1HG2 ILE 76 6.351 -7.836 8.240 586 HG22 ILE 76 2HG2 ILE 76 6.391 -7.608 6.492 587 HG23 ILE 76 3HG2 ILE 76 6.382 -9.238 7.169 588 HD11 ILE 76 1HD1 ILE 76 3.739 -7.806 9.975 589 HD12 ILE 76 2HD1 ILE 76 5.293 -8.624 9.871 590 HD13 ILE 76 3HD1 ILE 76 3.884 -9.499 10.459 591 H ALA 77 H ALA 77 3.246 -6.173 5.066 592 HA ALA 77 HA ALA 77 5.647 -4.987 4.207 593 HB1 ALA 77 1HB ALA 77 2.897 -4.718 3.009 594 HB2 ALA 77 2HB ALA 77 4.051 -6.015 2.684 595 HB3 ALA 77 3HB ALA 77 4.431 -4.358 2.210 596 H ASN 78 H ASN 78 2.731 -3.631 5.610 597 HA ASN 78 HA ASN 78 3.025 -0.997 4.896 598 HB2 ASN 78 2HB ASN 78 1.612 -2.261 7.172 599 HB3 ASN 78 1HB ASN 78 1.851 -0.517 7.227 600 HD21 ASN 78 1HD2 ASN 78 -0.366 -0.248 7.064 601 HD22 ASN 78 2HD2 ASN 78 -1.215 -0.403 5.569 602 HA PRO 79 HA PRO 79 5.601 0.296 8.799 603 HB2 PRO 79 2HB PRO 79 7.025 -2.238 9.416 604 HB3 PRO 79 1HB PRO 79 6.375 -1.023 10.519 605 HG2 PRO 79 2HG PRO 79 5.153 -3.359 10.233 606 HG3 PRO 79 1HG PRO 79 4.218 -1.863 10.399 607 HD2 PRO 79 2HD PRO 79 4.828 -3.451 7.934 608 HD3 PRO 79 1HD PRO 79 3.311 -2.666 8.420 609 H ILE 80 H ILE 80 6.805 -2.289 6.751 610 HA ILE 80 HA ILE 80 9.395 -1.104 6.472 611 HB ILE 80 HB ILE 80 8.072 -3.441 5.032 612 HG12 ILE 80 2HG1 ILE 80 9.998 -4.734 6.122 613 HG13 ILE 80 1HG1 ILE 80 10.316 -3.275 7.035 614 HG21 ILE 80 1HG2 ILE 80 10.889 -2.506 4.598 615 HG22 ILE 80 2HG2 ILE 80 9.569 -2.348 3.436 616 HG23 ILE 80 3HG2 ILE 80 10.155 -3.949 3.897 617 HD11 ILE 80 1HD1 ILE 80 9.078 -4.954 8.291 618 HD12 ILE 80 2HD1 ILE 80 7.746 -4.828 7.137 619 HD13 ILE 80 3HD1 ILE 80 8.191 -3.439 8.132 620 H MET 81 H MET 81 6.422 -1.029 4.613 621 HA MET 81 HA MET 81 7.563 0.440 2.482 622 HB2 MET 81 2HB MET 81 4.735 -0.058 3.300 623 HB3 MET 81 1HB MET 81 5.084 1.167 2.081 624 HG2 MET 81 2HG MET 81 5.912 -1.711 1.982 625 HG3 MET 81 1HG MET 81 4.628 -0.955 1.028 626 HE1 MET 81 1HE MET 81 7.341 -2.540 0.111 627 HE2 MET 81 2HE MET 81 7.781 -1.640 -1.335 628 HE3 MET 81 3HE MET 81 6.084 -2.115 -1.070 629 H SER 82 H SER 82 6.422 1.295 5.554 630 HA SER 82 HA SER 82 6.249 4.057 5.138 631 HB2 SER 82 2HB SER 82 5.411 2.850 7.183 632 HB3 SER 82 1HB SER 82 7.085 2.606 7.673 633 HG SER 82 HG SER 82 6.478 5.195 7.054 634 H LYS 83 H LYS 83 8.910 1.822 5.394 635 HA LYS 83 HA LYS 83 10.902 3.779 5.943 636 HB2 LYS 83 2HB LYS 83 11.346 1.078 4.633 637 HB3 LYS 83 1HB LYS 83 12.549 2.063 5.435 638 HG2 LYS 83 2HG LYS 83 10.294 0.521 6.687 639 HG3 LYS 83 1HG LYS 83 12.024 0.209 6.867 640 HD2 LYS 83 2HD LYS 83 12.078 2.575 7.924 641 HD3 LYS 83 1HD LYS 83 10.308 2.353 7.870 642 HE2 LYS 83 2HE LYS 83 11.306 1.802 10.094 643 HE3 LYS 83 1HE LYS 83 10.363 0.521 9.349 644 HZ1 LYS 83 1HZ LYS 83 12.247 -0.693 8.863 645 HZ2 LYS 83 2HZ LYS 83 12.650 -0.067 10.382 646 HZ3 LYS 83 3HZ LYS 83 13.295 0.604 8.986 647 H LEU 84 H LEU 84 9.952 1.949 2.945 648 HA LEU 84 HA LEU 84 11.702 3.375 1.281 649 HB2 LEU 84 2HB LEU 84 9.208 1.839 0.616 650 HB3 LEU 84 1HB LEU 84 10.226 2.585 -0.600 651 HG LEU 84 HG LEU 84 11.063 0.399 1.297 652 HD11 LEU 84 1HD1 LEU 84 9.557 -0.368 -0.446 653 HD12 LEU 84 2HD1 LEU 84 11.198 -0.956 -0.723 654 HD13 LEU 84 3HD1 LEU 84 10.572 0.394 -1.669 655 HD21 LEU 84 1HD2 LEU 84 13.124 0.364 -0.062 656 HD22 LEU 84 2HD2 LEU 84 12.942 1.858 0.839 657 HD23 LEU 84 3HD2 LEU 84 12.586 1.822 -0.892 658 H TYR 85 H TYR 85 8.460 4.171 2.275 659 HA TYR 85 HA TYR 85 8.332 6.254 0.340 660 HB2 TYR 85 2HB TYR 85 6.473 5.421 2.539 661 HB3 TYR 85 1HB TYR 85 6.239 6.944 1.686 662 HD1 TYR 85 1HD TYR 85 6.156 3.273 1.363 663 HD2 TYR 85 2HD TYR 85 5.526 6.981 -0.608 664 HE1 TYR 85 1HE TYR 85 4.970 2.102 -0.449 665 HE2 TYR 85 2HE TYR 85 4.335 5.827 -2.415 666 HH TYR 85 HH TYR 85 3.277 2.660 -2.158 667 H GLN 86 H GLN 86 10.030 6.106 3.210 668 HA GLN 86 HA GLN 86 9.925 9.042 3.263 669 HB2 GLN 86 2HB GLN 86 10.562 9.084 5.585 670 HB3 GLN 86 1HB GLN 86 9.106 8.116 5.375 671 HG2 GLN 86 2HG GLN 86 10.409 6.093 5.613 672 HG3 GLN 86 1HG GLN 86 11.891 7.041 5.747 673 HE21 GLN 86 1HE2 GLN 86 12.233 8.257 7.604 674 HE22 GLN 86 2HE2 GLN 86 11.398 7.912 9.077 675 H ALA 87 H ALA 87 11.984 6.260 3.207 676 HA ALA 87 HA ALA 87 14.248 8.050 2.692 677 HB1 ALA 87 1HB ALA 87 14.328 5.397 4.111 678 HB2 ALA 87 2HB ALA 87 14.459 6.977 4.880 679 HB3 ALA 87 3HB ALA 87 15.713 6.432 3.764 680 H GLY 88 H GLY 88 14.245 7.964 0.496 681 HA2 GLY 88 2HA GLY 88 15.678 6.617 -1.060 682 HA3 GLY 88 1HA GLY 88 14.524 5.320 -0.726 683 H GLY 89 H GLY 89 12.241 6.513 -0.578 684 HA2 GLY 89 2HA GLY 89 10.740 7.895 -1.598 685 HA3 GLY 89 1HA GLY 89 11.949 8.270 -2.823 686 H ALA 90 H ALA 90 9.789 5.778 -1.676 687 HA ALA 90 HA ALA 90 10.013 3.942 -3.714 688 HB1 ALA 90 1HB ALA 90 8.745 3.574 -1.619 689 HB2 ALA 90 2HB ALA 90 7.876 3.064 -3.062 690 HB3 ALA 90 3HB ALA 90 7.441 4.570 -2.264 691 HA PRO 91 HA PRO 91 6.773 6.165 -6.427 692 HB2 PRO 91 2HB PRO 91 6.571 8.964 -5.699 693 HB3 PRO 91 1HB PRO 91 5.289 7.754 -5.775 694 HG2 PRO 91 2HG PRO 91 6.198 8.867 -3.444 695 HG3 PRO 91 1HG PRO 91 5.446 7.269 -3.549 696 HD2 PRO 91 2HD PRO 91 8.339 7.999 -3.380 697 HD3 PRO 91 1HD PRO 91 7.470 6.661 -2.598 698 H GLY 92 H GLY 92 8.882 5.793 -7.361 699 HA2 GLY 92 2HA GLY 92 10.084 6.536 -9.239 700 HA3 GLY 92 1HA GLY 92 9.782 8.196 -8.747 701 H GLY 93 H GLY 93 10.912 9.012 -6.952 702 HA2 GLY 93 2HA GLY 93 12.960 7.740 -5.574 703 HA3 GLY 93 1HA GLY 93 13.653 8.527 -6.996 704 H ALA 94 H ALA 94 13.316 9.032 -3.884 705 HA ALA 94 HA ALA 94 12.474 11.788 -4.258 706 HB1 ALA 94 1HB ALA 94 12.690 10.254 -1.682 707 HB2 ALA 94 2HB ALA 94 11.199 10.543 -2.582 708 HB3 ALA 94 3HB ALA 94 12.081 11.899 -1.878 709 H ALA 95 H ALA 95 14.351 12.411 -5.161 710 HA ALA 95 HA ALA 95 16.350 13.139 -3.213 711 HB1 ALA 95 1HB ALA 95 17.057 11.801 -5.834 712 HB2 ALA 95 2HB ALA 95 17.248 11.087 -4.232 713 HB3 ALA 95 3HB ALA 95 18.200 12.502 -4.685 714 H GLY 96 H GLY 96 15.662 15.185 -3.349 715 HA2 GLY 96 2HA GLY 96 16.029 16.486 -5.942 716 HA3 GLY 96 1HA GLY 96 14.530 16.727 -5.059 717 H GLY 97 H GLY 97 14.459 18.508 -3.949 718 HA2 GLY 97 2HA GLY 97 15.125 20.328 -2.697 719 HA3 GLY 97 1HA GLY 97 16.626 19.463 -2.365 720 H ALA 98 H ALA 98 18.408 20.133 -3.317 721 HA ALA 98 HA ALA 98 18.273 21.375 -5.932 722 HB1 ALA 98 1HB ALA 98 19.770 23.215 -5.284 723 HB2 ALA 98 2HB ALA 98 19.739 22.666 -3.610 724 HB3 ALA 98 3HB ALA 98 18.272 23.290 -4.357 725 HA PRO 99 HA PRO 99 21.792 18.471 -5.406 726 HB2 PRO 99 2HB PRO 99 20.896 16.361 -6.692 727 HB3 PRO 99 1HB PRO 99 20.220 16.761 -5.111 728 HG2 PRO 99 2HG PRO 99 19.039 17.110 -7.816 729 HG3 PRO 99 1HG PRO 99 18.232 16.768 -6.275 730 HD2 PRO 99 2HD PRO 99 18.545 19.315 -7.547 731 HD3 PRO 99 1HD PRO 99 17.860 18.988 -5.941 732 H GLY 100 H GLY 100 23.093 17.302 -7.135 733 HA2 GLY 100 2HA GLY 100 23.058 18.800 -9.624 734 HA3 GLY 100 1HA GLY 100 24.320 17.678 -9.095 735 H GLY 101 H GLY 101 20.865 17.664 -9.850 736 HA2 GLY 101 2HA GLY 101 21.255 15.257 -11.431 737 HA3 GLY 101 1HA GLY 101 20.120 15.201 -10.085 Start of MODEL 15 1 H1 SER 1 1HT SER 1 -20.776 -27.418 -12.530 2 H2 SER 1 2HT SER 1 -19.554 -26.351 -12.020 3 H3 SER 1 3HT SER 1 -20.558 -25.944 -13.329 4 HA SER 1 HA SER 1 -22.424 -25.784 -11.954 5 HB2 SER 1 2HB SER 1 -20.533 -26.524 -9.715 6 HB3 SER 1 1HB SER 1 -22.274 -26.256 -9.611 7 HG SER 1 HG SER 1 -22.644 -28.172 -10.354 8 H LYS 2 H LYS 2 -22.672 -23.607 -11.973 9 HA LYS 2 HA LYS 2 -20.414 -22.003 -12.042 10 HB2 LYS 2 2HB LYS 2 -23.285 -21.269 -12.136 11 HB3 LYS 2 1HB LYS 2 -22.042 -20.029 -12.069 12 HG2 LYS 2 2HG LYS 2 -22.359 -22.156 -14.189 13 HG3 LYS 2 1HG LYS 2 -22.701 -20.435 -14.350 14 HD2 LYS 2 2HD LYS 2 -19.963 -21.696 -13.932 15 HD3 LYS 2 1HD LYS 2 -20.571 -20.949 -15.395 16 HE2 LYS 2 2HE LYS 2 -20.717 -18.779 -14.222 17 HE3 LYS 2 1HE LYS 2 -20.069 -19.538 -12.770 18 HZ1 LYS 2 1HZ LYS 2 -18.669 -19.233 -15.370 19 HZ2 LYS 2 2HZ LYS 2 -18.005 -20.031 -14.043 20 HZ3 LYS 2 3HZ LYS 2 -18.339 -18.395 -13.959 21 H GLU 3 H GLU 3 -22.413 -22.563 -9.232 22 HA GLU 3 HA GLU 3 -21.379 -20.243 -7.922 23 HB2 GLU 3 2HB GLU 3 -22.283 -21.146 -5.811 24 HB3 GLU 3 1HB GLU 3 -23.473 -21.274 -7.089 25 HG2 GLU 3 2HG GLU 3 -21.780 -23.542 -6.055 26 HG3 GLU 3 1HG GLU 3 -23.447 -23.221 -5.593 27 H GLU 4 H GLU 4 -20.484 -23.558 -8.122 28 HA GLU 4 HA GLU 4 -18.214 -23.520 -6.479 29 HB2 GLU 4 2HB GLU 4 -18.962 -25.142 -8.894 30 HB3 GLU 4 1HB GLU 4 -17.496 -25.421 -7.962 31 HG2 GLU 4 2HG GLU 4 -20.258 -25.485 -6.793 32 HG3 GLU 4 1HG GLU 4 -19.400 -26.913 -7.382 33 H ASP 5 H ASP 5 -18.559 -23.175 -9.998 34 HA ASP 5 HA ASP 5 -15.897 -22.682 -10.619 35 HB2 ASP 5 2HB ASP 5 -18.437 -22.004 -12.015 36 HB3 ASP 5 1HB ASP 5 -16.951 -21.271 -12.585 37 H GLU 6 H GLU 6 -18.342 -20.390 -9.581 38 HA GLU 6 HA GLU 6 -16.709 -18.161 -10.072 39 HB2 GLU 6 2HB GLU 6 -19.085 -18.399 -8.235 40 HB3 GLU 6 1HB GLU 6 -18.242 -16.891 -8.549 41 HG2 GLU 6 2HG GLU 6 -18.739 -17.272 -10.999 42 HG3 GLU 6 1HG GLU 6 -19.803 -18.576 -10.482 43 H LYS 7 H LYS 7 -17.152 -20.081 -7.086 44 HA LYS 7 HA LYS 7 -15.304 -18.293 -5.819 45 HB2 LYS 7 2HB LYS 7 -15.383 -19.659 -3.837 46 HB3 LYS 7 1HB LYS 7 -17.009 -19.388 -4.420 47 HG2 LYS 7 2HG LYS 7 -17.051 -21.643 -5.340 48 HG3 LYS 7 1HG LYS 7 -15.395 -21.901 -4.772 49 HD2 LYS 7 2HD LYS 7 -16.197 -21.373 -2.464 50 HD3 LYS 7 1HD LYS 7 -17.840 -21.366 -3.101 51 HE2 LYS 7 2HE LYS 7 -17.541 -23.684 -3.837 52 HE3 LYS 7 1HE LYS 7 -15.910 -23.657 -3.168 53 HZ1 LYS 7 1HZ LYS 7 -18.421 -23.327 -1.632 54 HZ2 LYS 7 2HZ LYS 7 -16.878 -23.197 -0.995 55 HZ3 LYS 7 3HZ LYS 7 -17.407 -24.683 -1.620 56 H GLU 8 H GLU 8 -15.042 -21.312 -7.506 57 HA GLU 8 HA GLU 8 -12.401 -21.951 -6.797 58 HB2 GLU 8 2HB GLU 8 -13.779 -22.379 -9.455 59 HB3 GLU 8 1HB GLU 8 -12.268 -23.123 -8.974 60 HG2 GLU 8 2HG GLU 8 -14.961 -23.577 -7.702 61 HG3 GLU 8 1HG GLU 8 -14.134 -24.646 -8.833 62 H SER 9 H SER 9 -13.709 -19.842 -9.361 63 HA SER 9 HA SER 9 -11.144 -19.169 -10.326 64 HB2 SER 9 2HB SER 9 -12.382 -17.295 -11.523 65 HB3 SER 9 1HB SER 9 -12.938 -18.925 -11.886 66 HG SER 9 HG SER 9 -14.755 -18.568 -10.847 67 H GLN 10 H GLN 10 -13.251 -17.797 -7.900 68 HA GLN 10 HA GLN 10 -11.676 -15.497 -7.434 69 HB2 GLN 10 2HB GLN 10 -13.577 -16.929 -5.580 70 HB3 GLN 10 1HB GLN 10 -12.821 -15.387 -5.212 71 HG2 GLN 10 2HG GLN 10 -13.913 -14.362 -7.113 72 HG3 GLN 10 1HG GLN 10 -14.622 -15.915 -7.557 73 HE21 GLN 10 1HE2 GLN 10 -15.892 -13.418 -6.923 74 HE22 GLN 10 2HE2 GLN 10 -16.972 -13.714 -5.624 75 H ARG 11 H ARG 11 -11.529 -18.785 -6.138 76 HA ARG 11 HA ARG 11 -9.445 -18.429 -4.311 77 HB2 ARG 11 2HB ARG 11 -10.430 -20.648 -4.494 78 HB3 ARG 11 1HB ARG 11 -9.953 -20.766 -6.185 79 HG2 ARG 11 2HG ARG 11 -7.541 -20.551 -5.370 80 HG3 ARG 11 1HG ARG 11 -8.175 -20.840 -3.757 81 HD2 ARG 11 2HD ARG 11 -8.584 -22.693 -6.094 82 HD3 ARG 11 1HD ARG 11 -7.269 -22.846 -4.937 83 HE ARG 11 HE ARG 11 -9.012 -23.049 -3.233 84 HH11 ARG 11 1HH1 ARG 11 -9.745 -23.947 -6.583 85 HH12 ARG 11 2HH1 ARG 11 -10.905 -25.115 -6.190 86 HH21 ARG 11 1HH2 ARG 11 -10.526 -24.788 -2.665 87 HH22 ARG 11 2HH2 ARG 11 -11.294 -25.675 -3.897 88 H ILE 12 H ILE 12 -9.349 -19.195 -7.744 89 HA ILE 12 HA ILE 12 -6.576 -19.111 -8.070 90 HB ILE 12 HB ILE 12 -8.712 -18.515 -10.150 91 HG12 ILE 12 2HG1 ILE 12 -7.268 -21.109 -9.526 92 HG13 ILE 12 1HG1 ILE 12 -8.868 -20.724 -8.931 93 HG21 ILE 12 1HG2 ILE 12 -6.434 -17.753 -10.862 94 HG22 ILE 12 2HG2 ILE 12 -6.986 -19.125 -11.812 95 HG23 ILE 12 3HG2 ILE 12 -5.813 -19.364 -10.522 96 HD11 ILE 12 1HD1 ILE 12 -8.986 -22.196 -10.846 97 HD12 ILE 12 2HD1 ILE 12 -8.078 -21.041 -11.827 98 HD13 ILE 12 3HD1 ILE 12 -9.693 -20.633 -11.241 99 H ALA 13 H ALA 13 -8.986 -16.553 -8.352 100 HA ALA 13 HA ALA 13 -7.276 -14.518 -9.231 101 HB1 ALA 13 1HB ALA 13 -8.999 -12.971 -8.485 102 HB2 ALA 13 2HB ALA 13 -9.750 -14.249 -7.530 103 HB3 ALA 13 3HB ALA 13 -9.728 -14.363 -9.289 104 H SER 14 H SER 14 -8.228 -15.476 -5.963 105 HA SER 14 HA SER 14 -6.731 -13.477 -4.627 106 HB2 SER 14 2HB SER 14 -7.663 -16.170 -3.590 107 HB3 SER 14 1HB SER 14 -7.210 -14.777 -2.609 108 HG SER 14 HG SER 14 -9.451 -15.111 -4.299 109 H LYS 15 H LYS 15 -6.103 -16.810 -5.487 110 HA LYS 15 HA LYS 15 -3.586 -17.253 -4.382 111 HB2 LYS 15 2HB LYS 15 -4.912 -19.043 -5.275 112 HB3 LYS 15 1HB LYS 15 -4.999 -18.280 -6.845 113 HG2 LYS 15 2HG LYS 15 -2.602 -18.752 -7.175 114 HG3 LYS 15 1HG LYS 15 -2.581 -19.566 -5.600 115 HD2 LYS 15 2HD LYS 15 -4.113 -21.236 -6.342 116 HD3 LYS 15 1HD LYS 15 -4.450 -20.358 -7.825 117 HE2 LYS 15 2HE LYS 15 -2.974 -22.246 -8.283 118 HE3 LYS 15 1HE LYS 15 -2.142 -20.728 -8.583 119 HZ1 LYS 15 1HZ LYS 15 -0.737 -22.275 -7.456 120 HZ2 LYS 15 2HZ LYS 15 -1.826 -22.481 -6.216 121 HZ3 LYS 15 3HZ LYS 15 -1.036 -20.971 -6.431 122 H ASN 16 H ASN 16 -4.532 -16.088 -7.564 123 HA ASN 16 HA ASN 16 -2.055 -15.631 -8.754 124 HB2 ASN 16 2HB ASN 16 -4.304 -15.677 -9.852 125 HB3 ASN 16 1HB ASN 16 -4.633 -14.107 -9.145 126 HD21 ASN 16 1HD2 ASN 16 -3.090 -15.846 -11.603 127 HD22 ASN 16 2HD2 ASN 16 -2.485 -14.505 -12.507 128 H GLN 17 H GLN 17 -4.188 -13.478 -6.929 129 HA GLN 17 HA GLN 17 -2.596 -11.154 -7.187 130 HB2 GLN 17 2HB GLN 17 -5.018 -11.130 -6.642 131 HB3 GLN 17 1HB GLN 17 -4.650 -11.809 -5.065 132 HG2 GLN 17 2HG GLN 17 -5.027 -9.432 -4.877 133 HG3 GLN 17 1HG GLN 17 -3.337 -9.799 -4.527 134 HE21 GLN 17 1HE2 GLN 17 -1.762 -9.190 -6.030 135 HE22 GLN 17 2HE2 GLN 17 -2.088 -7.993 -7.237 136 H LEU 18 H LEU 18 -2.937 -13.531 -4.593 137 HA LEU 18 HA LEU 18 -1.166 -12.380 -2.761 138 HB2 LEU 18 2HB LEU 18 -2.867 -14.106 -2.244 139 HB3 LEU 18 1HB LEU 18 -1.997 -15.264 -3.207 140 HG LEU 18 HG LEU 18 -1.876 -15.557 -0.716 141 HD11 LEU 18 1HD1 LEU 18 -0.286 -16.626 -2.190 142 HD12 LEU 18 2HD1 LEU 18 0.441 -16.177 -0.652 143 HD13 LEU 18 3HD1 LEU 18 0.767 -15.213 -2.096 144 HD21 LEU 18 1HD2 LEU 18 -0.309 -14.155 0.548 145 HD22 LEU 18 2HD2 LEU 18 -1.671 -13.221 -0.062 146 HD23 LEU 18 3HD2 LEU 18 -0.104 -13.118 -0.863 147 H GLU 19 H GLU 19 -0.687 -14.830 -5.270 148 HA GLU 19 HA GLU 19 1.999 -15.435 -5.061 149 HB2 GLU 19 2HB GLU 19 0.346 -16.452 -6.621 150 HB3 GLU 19 1HB GLU 19 0.380 -14.978 -7.564 151 HG2 GLU 19 2HG GLU 19 2.816 -15.372 -7.928 152 HG3 GLU 19 1HG GLU 19 2.603 -16.960 -7.183 153 H SER 20 H SER 20 0.439 -12.938 -7.011 154 HA SER 20 HA SER 20 2.786 -11.844 -8.052 155 HB2 SER 20 2HB SER 20 0.085 -10.524 -7.728 156 HB3 SER 20 1HB SER 20 1.364 -10.016 -8.831 157 HG SER 20 HG SER 20 -0.130 -12.439 -8.890 158 H ILE 21 H ILE 21 0.890 -10.911 -5.194 159 HA ILE 21 HA ILE 21 2.390 -8.613 -4.737 160 HB ILE 21 HB ILE 21 0.510 -10.168 -2.986 161 HG12 ILE 21 2HG1 ILE 21 0.459 -7.495 -4.382 162 HG13 ILE 21 1HG1 ILE 21 -0.385 -8.955 -4.873 163 HG21 ILE 21 1HG2 ILE 21 0.649 -8.333 -1.356 164 HG22 ILE 21 2HG2 ILE 21 1.951 -7.598 -2.302 165 HG23 ILE 21 3HG2 ILE 21 2.204 -9.159 -1.519 166 HD11 ILE 21 1HD1 ILE 21 -1.846 -7.348 -3.826 167 HD12 ILE 21 2HD1 ILE 21 -0.829 -7.413 -2.372 168 HD13 ILE 21 3HD1 ILE 21 -1.732 -8.852 -2.892 169 H ALA 22 H ALA 22 2.783 -11.945 -3.612 170 HA ALA 22 HA ALA 22 4.826 -11.459 -1.756 171 HB1 ALA 22 1HB ALA 22 3.668 -13.628 -1.935 172 HB2 ALA 22 2HB ALA 22 5.413 -13.830 -2.032 173 HB3 ALA 22 3HB ALA 22 4.436 -13.909 -3.497 174 H TYR 23 H TYR 23 4.987 -12.144 -5.267 175 HA TYR 23 HA TYR 23 7.816 -11.929 -5.361 176 HB2 TYR 23 2HB TYR 23 5.766 -11.691 -7.562 177 HB3 TYR 23 1HB TYR 23 7.499 -11.622 -7.840 178 HD1 TYR 23 1HD TYR 23 8.819 -13.689 -6.758 179 HD2 TYR 23 2HD TYR 23 4.722 -13.712 -7.883 180 HE1 TYR 23 1HE TYR 23 8.900 -16.137 -6.988 181 HE2 TYR 23 2HE TYR 23 4.792 -16.156 -8.103 182 HH TYR 23 HH TYR 23 6.463 -17.835 -8.558 183 H SER 24 H SER 24 5.205 -9.632 -5.935 184 HA SER 24 HA SER 24 6.771 -7.522 -6.902 185 HB2 SER 24 2HB SER 24 4.172 -7.359 -5.361 186 HB3 SER 24 1HB SER 24 4.878 -6.053 -6.308 187 HG SER 24 HG SER 24 4.135 -8.593 -7.328 188 H LEU 25 H LEU 25 5.883 -8.435 -3.602 189 HA LEU 25 HA LEU 25 6.903 -6.242 -2.224 190 HB2 LEU 25 2HB LEU 25 5.526 -7.993 -1.205 191 HB3 LEU 25 1HB LEU 25 6.801 -9.162 -1.448 192 HG LEU 25 HG LEU 25 8.205 -7.962 0.197 193 HD11 LEU 25 1HD1 LEU 25 5.770 -6.223 0.551 194 HD12 LEU 25 2HD1 LEU 25 7.329 -5.715 -0.107 195 HD13 LEU 25 3HD1 LEU 25 7.201 -6.215 1.578 196 HD21 LEU 25 1HD2 LEU 25 6.915 -8.569 2.175 197 HD22 LEU 25 2HD2 LEU 25 6.758 -9.795 0.921 198 HD23 LEU 25 3HD2 LEU 25 5.448 -8.648 1.203 199 H LYS 26 H LYS 26 8.477 -9.338 -3.016 200 HA LYS 26 HA LYS 26 10.998 -8.649 -1.983 201 HB2 LYS 26 2HB LYS 26 10.336 -10.610 -4.188 202 HB3 LYS 26 1HB LYS 26 11.882 -10.497 -3.354 203 HG2 LYS 26 2HG LYS 26 10.804 -11.134 -1.243 204 HG3 LYS 26 1HG LYS 26 9.244 -11.196 -2.057 205 HD2 LYS 26 2HD LYS 26 10.172 -13.431 -1.789 206 HD3 LYS 26 1HD LYS 26 10.084 -13.001 -3.498 207 HE2 LYS 26 2HE LYS 26 12.457 -12.445 -3.491 208 HE3 LYS 26 1HE LYS 26 12.553 -12.819 -1.771 209 HZ1 LYS 26 1HZ LYS 26 12.017 -15.094 -2.256 210 HZ2 LYS 26 2HZ LYS 26 13.355 -14.629 -3.188 211 HZ3 LYS 26 3HZ LYS 26 11.832 -14.754 -3.894 212 H ASN 27 H ASN 27 9.674 -8.355 -5.225 213 HA ASN 27 HA ASN 27 12.015 -7.413 -6.459 214 HB2 ASN 27 2HB ASN 27 9.126 -7.111 -7.262 215 HB3 ASN 27 1HB ASN 27 10.466 -6.530 -8.240 216 HD21 ASN 27 1HD2 ASN 27 8.466 -8.516 -8.854 217 HD22 ASN 27 2HD2 ASN 27 9.322 -9.966 -9.226 218 H THR 28 H THR 28 9.337 -5.654 -4.934 219 HA THR 28 HA THR 28 10.094 -3.117 -5.811 220 HB THR 28 HB THR 28 8.572 -3.811 -3.285 221 HG1 THR 28 1HG THR 28 7.718 -4.516 -5.380 222 HG21 THR 28 1HG2 THR 28 7.669 -1.526 -3.445 223 HG22 THR 28 2HG2 THR 28 8.680 -1.229 -4.858 224 HG23 THR 28 3HG2 THR 28 9.426 -1.487 -3.285 225 H ILE 29 H ILE 29 11.010 -4.835 -2.821 226 HA ILE 29 HA ILE 29 12.540 -2.661 -1.871 227 HB ILE 29 HB ILE 29 12.715 -5.618 -1.156 228 HG12 ILE 29 2HG1 ILE 29 12.021 -4.748 1.136 229 HG13 ILE 29 1HG1 ILE 29 11.798 -3.181 0.373 230 HG21 ILE 29 1HG2 ILE 29 14.965 -4.808 -0.928 231 HG22 ILE 29 2HG2 ILE 29 14.259 -4.997 0.686 232 HG23 ILE 29 3HG2 ILE 29 14.407 -3.398 -0.031 233 HD11 ILE 29 1HD1 ILE 29 10.276 -5.685 -0.270 234 HD12 ILE 29 2HD1 ILE 29 10.044 -4.107 -1.019 235 HD13 ILE 29 3HD1 ILE 29 9.699 -4.326 0.695 236 H SER 30 H SER 30 13.308 -5.321 -3.985 237 HA SER 30 HA SER 30 16.091 -4.941 -4.079 238 HB2 SER 30 2HB SER 30 14.269 -6.269 -6.084 239 HB3 SER 30 1HB SER 30 16.013 -6.502 -5.945 240 HG SER 30 HG SER 30 13.942 -7.369 -4.249 241 H GLU 31 H GLU 31 13.499 -3.889 -6.361 242 HA GLU 31 HA GLU 31 15.329 -2.656 -8.157 243 HB2 GLU 31 2HB GLU 31 13.339 -1.657 -9.229 244 HB3 GLU 31 1HB GLU 31 13.168 -3.383 -8.962 245 HG2 GLU 31 2HG GLU 31 11.772 -2.944 -7.018 246 HG3 GLU 31 1HG GLU 31 11.937 -1.208 -7.287 247 H ALA 32 H ALA 32 13.687 -1.584 -5.363 248 HA ALA 32 HA ALA 32 14.413 1.209 -5.704 249 HB1 ALA 32 1HB ALA 32 13.302 -0.100 -3.251 250 HB2 ALA 32 2HB ALA 32 12.296 0.389 -4.611 251 HB3 ALA 32 3HB ALA 32 13.217 1.603 -3.722 252 H GLY 33 H GLY 33 16.101 -1.420 -4.960 253 HA2 GLY 33 2HA GLY 33 18.256 -1.651 -4.480 254 HA3 GLY 33 1HA GLY 33 18.418 0.065 -4.761 255 H ASP 34 H ASP 34 18.834 1.317 -3.104 256 HA ASP 34 HA ASP 34 19.877 -0.084 -0.778 257 HB2 ASP 34 2HB ASP 34 21.278 1.425 -2.085 258 HB3 ASP 34 1HB ASP 34 20.210 2.756 -1.698 259 H LYS 35 H LYS 35 17.123 1.842 -1.413 260 HA LYS 35 HA LYS 35 17.024 3.555 0.728 261 HB2 LYS 35 2HB LYS 35 15.103 4.248 -0.103 262 HB3 LYS 35 1HB LYS 35 15.479 3.040 -1.330 263 HG2 LYS 35 2HG LYS 35 13.874 2.123 0.980 264 HG3 LYS 35 1HG LYS 35 13.094 3.236 -0.127 265 HD2 LYS 35 2HD LYS 35 12.496 1.250 -1.118 266 HD3 LYS 35 1HD LYS 35 13.991 1.599 -1.914 267 HE2 LYS 35 2HE LYS 35 14.139 -0.135 0.503 268 HE3 LYS 35 1HE LYS 35 13.506 -0.821 -0.986 269 HZ1 LYS 35 1HZ LYS 35 16.162 0.457 -0.648 270 HZ2 LYS 35 2HZ LYS 35 15.579 -0.214 -2.070 271 HZ3 LYS 35 3HZ LYS 35 15.881 -1.191 -0.752 272 H LEU 36 H LEU 36 16.610 0.290 1.180 273 HA LEU 36 HA LEU 36 15.442 0.825 3.849 274 HB2 LEU 36 2HB LEU 36 14.831 -1.499 2.084 275 HB3 LEU 36 1HB LEU 36 14.682 -1.645 3.816 276 HG LEU 36 HG LEU 36 13.140 0.298 2.085 277 HD11 LEU 36 1HD1 LEU 36 12.476 -2.015 1.798 278 HD12 LEU 36 2HD1 LEU 36 11.241 -1.111 2.682 279 HD13 LEU 36 3HD1 LEU 36 12.325 -2.204 3.542 280 HD21 LEU 36 1HD2 LEU 36 11.882 0.711 4.131 281 HD22 LEU 36 2HD2 LEU 36 13.550 1.231 4.285 282 HD23 LEU 36 3HD2 LEU 36 13.022 -0.278 5.041 283 H GLU 37 H GLU 37 15.907 -0.490 5.579 284 HA GLU 37 HA GLU 37 18.623 -1.159 5.940 285 HB2 GLU 37 2HB GLU 37 16.172 -1.844 7.572 286 HB3 GLU 37 1HB GLU 37 17.836 -1.888 8.140 287 HG2 GLU 37 2HG GLU 37 18.027 0.496 7.967 288 HG3 GLU 37 1HG GLU 37 16.460 0.610 7.176 289 H GLN 38 H GLN 38 19.508 -3.247 6.136 290 HA GLN 38 HA GLN 38 18.439 -5.142 4.315 291 HB2 GLN 38 2HB GLN 38 20.892 -4.747 4.823 292 HB3 GLN 38 1HB GLN 38 20.643 -5.667 6.299 293 HG2 GLN 38 2HG GLN 38 19.925 -7.593 4.966 294 HG3 GLN 38 1HG GLN 38 20.225 -6.674 3.496 295 HE21 GLN 38 1HE2 GLN 38 21.612 -8.355 6.124 296 HE22 GLN 38 2HE2 GLN 38 23.231 -8.407 5.518 297 H ALA 39 H ALA 39 18.316 -4.805 7.763 298 HA ALA 39 HA ALA 39 17.407 -7.386 8.436 299 HB1 ALA 39 1HB ALA 39 16.850 -4.755 9.806 300 HB2 ALA 39 2HB ALA 39 18.240 -5.794 10.110 301 HB3 ALA 39 3HB ALA 39 16.617 -6.347 10.523 302 H ASP 40 H ASP 40 15.657 -4.375 7.771 303 HA ASP 40 HA ASP 40 13.056 -5.399 7.925 304 HB2 ASP 40 2HB ASP 40 14.148 -3.082 6.321 305 HB3 ASP 40 1HB ASP 40 12.436 -3.458 6.450 306 H LYS 41 H LYS 41 15.288 -5.079 5.245 307 HA LYS 41 HA LYS 41 13.757 -6.003 3.125 308 HB2 LYS 41 2HB LYS 41 15.984 -5.138 2.773 309 HB3 LYS 41 1HB LYS 41 16.686 -6.448 3.718 310 HG2 LYS 41 2HG LYS 41 15.833 -8.048 2.015 311 HG3 LYS 41 1HG LYS 41 15.339 -6.677 1.031 312 HD2 LYS 41 2HD LYS 41 18.162 -7.266 1.940 313 HD3 LYS 41 1HD LYS 41 17.517 -7.606 0.336 314 HE2 LYS 41 2HE LYS 41 17.081 -5.160 0.083 315 HE3 LYS 41 1HE LYS 41 17.885 -4.905 1.627 316 HZ1 LYS 41 1HZ LYS 41 19.903 -5.907 0.667 317 HZ2 LYS 41 2HZ LYS 41 19.418 -4.552 -0.191 318 HZ3 LYS 41 3HZ LYS 41 19.113 -6.063 -0.807 319 H ASP 42 H ASP 42 15.746 -7.861 5.397 320 HA ASP 42 HA ASP 42 15.140 -10.395 4.285 321 HB2 ASP 42 2HB ASP 42 17.115 -9.985 5.747 322 HB3 ASP 42 1HB ASP 42 16.031 -9.778 7.115 323 H THR 43 H THR 43 13.703 -8.497 6.817 324 HA THR 43 HA THR 43 11.954 -10.411 7.859 325 HB THR 43 HB THR 43 11.488 -7.415 7.675 326 HG1 THR 43 1HG THR 43 13.522 -8.011 8.704 327 HG21 THR 43 1HG2 THR 43 10.121 -7.738 9.693 328 HG22 THR 43 2HG2 THR 43 10.437 -9.471 9.639 329 HG23 THR 43 3HG2 THR 43 9.490 -8.708 8.360 330 H VAL 44 H VAL 44 11.324 -7.975 5.296 331 HA VAL 44 HA VAL 44 8.707 -8.960 4.831 332 HB VAL 44 HB VAL 44 8.872 -7.698 2.635 333 HG11 VAL 44 1HG1 VAL 44 8.549 -5.508 3.811 334 HG12 VAL 44 2HG1 VAL 44 9.235 -6.230 5.266 335 HG13 VAL 44 3HG1 VAL 44 7.705 -6.829 4.621 336 HG21 VAL 44 1HG2 VAL 44 11.367 -6.617 3.940 337 HG22 VAL 44 2HG2 VAL 44 10.572 -5.902 2.540 338 HG23 VAL 44 3HG2 VAL 44 11.271 -7.516 2.430 339 H THR 45 H THR 45 11.661 -9.382 2.981 340 HA THR 45 HA THR 45 10.508 -10.903 0.960 341 HB THR 45 HB THR 45 12.756 -11.677 0.467 342 HG1 THR 45 1HG THR 45 13.602 -9.941 2.579 343 HG21 THR 45 1HG2 THR 45 12.486 -8.705 0.943 344 HG22 THR 45 2HG2 THR 45 11.964 -9.586 -0.492 345 HG23 THR 45 3HG2 THR 45 13.681 -9.443 -0.122 346 H LYS 46 H LYS 46 12.005 -11.935 3.976 347 HA LYS 46 HA LYS 46 11.830 -14.707 3.364 348 HB2 LYS 46 2HB LYS 46 13.435 -13.770 4.944 349 HB3 LYS 46 1HB LYS 46 12.133 -13.334 6.020 350 HG2 LYS 46 2HG LYS 46 11.630 -15.644 6.464 351 HG3 LYS 46 1HG LYS 46 12.798 -16.162 5.239 352 HD2 LYS 46 2HD LYS 46 13.549 -14.513 7.648 353 HD3 LYS 46 1HD LYS 46 13.623 -16.277 7.606 354 HE2 LYS 46 2HE LYS 46 15.264 -16.253 5.888 355 HE3 LYS 46 1HE LYS 46 15.066 -14.531 5.600 356 HZ1 LYS 46 1HZ LYS 46 17.050 -15.111 6.882 357 HZ2 LYS 46 2HZ LYS 46 16.070 -15.632 8.167 358 HZ3 LYS 46 3HZ LYS 46 16.019 -14.022 7.626 359 H LYS 47 H LYS 47 9.645 -12.409 4.826 360 HA LYS 47 HA LYS 47 7.763 -14.375 5.707 361 HB2 LYS 47 2HB LYS 47 7.942 -11.807 6.324 362 HB3 LYS 47 1HB LYS 47 7.016 -11.563 4.857 363 HG2 LYS 47 2HG LYS 47 6.104 -13.188 7.249 364 HG3 LYS 47 1HG LYS 47 5.614 -11.537 6.900 365 HD2 LYS 47 2HD LYS 47 4.534 -12.287 4.848 366 HD3 LYS 47 1HD LYS 47 5.099 -13.929 5.138 367 HE2 LYS 47 2HE LYS 47 3.163 -12.366 6.846 368 HE3 LYS 47 1HE LYS 47 2.763 -13.700 5.770 369 HZ1 LYS 47 1HZ LYS 47 4.367 -15.053 7.242 370 HZ2 LYS 47 2HZ LYS 47 2.842 -14.648 7.827 371 HZ3 LYS 47 3HZ LYS 47 4.188 -13.785 8.355 372 H ALA 48 H ALA 48 8.389 -12.568 2.758 373 HA ALA 48 HA ALA 48 6.181 -13.444 1.250 374 HB1 ALA 48 1HB ALA 48 8.950 -12.685 0.287 375 HB2 ALA 48 2HB ALA 48 7.611 -11.572 0.534 376 HB3 ALA 48 3HB ALA 48 7.510 -12.804 -0.724 377 H GLU 49 H GLU 49 9.400 -14.793 1.758 378 HA GLU 49 HA GLU 49 9.279 -17.034 0.124 379 HB2 GLU 49 2HB GLU 49 10.508 -16.815 2.881 380 HB3 GLU 49 1HB GLU 49 10.815 -18.121 1.755 381 HG2 GLU 49 2HG GLU 49 11.470 -15.226 1.261 382 HG3 GLU 49 1HG GLU 49 12.610 -16.439 1.840 383 H GLU 50 H GLU 50 8.079 -16.599 3.452 384 HA GLU 50 HA GLU 50 7.158 -19.232 3.926 385 HB2 GLU 50 2HB GLU 50 5.909 -16.678 4.890 386 HB3 GLU 50 1HB GLU 50 5.616 -18.277 5.528 387 HG2 GLU 50 2HG GLU 50 7.973 -18.300 6.283 388 HG3 GLU 50 1HG GLU 50 8.087 -16.608 5.761 389 H THR 51 H THR 51 5.778 -16.399 2.552 390 HA THR 51 HA THR 51 3.167 -17.241 2.376 391 HB THR 51 HB THR 51 4.619 -15.211 0.705 392 HG1 THR 51 1HG THR 51 4.813 -14.693 2.905 393 HG21 THR 51 1HG2 THR 51 1.692 -15.485 1.378 394 HG22 THR 51 2HG2 THR 51 2.434 -15.742 -0.207 395 HG23 THR 51 3HG2 THR 51 2.416 -14.130 0.509 396 H ILE 52 H ILE 52 5.833 -17.345 0.078 397 HA ILE 52 HA ILE 52 4.347 -18.537 -2.021 398 HB ILE 52 HB ILE 52 7.359 -18.436 -1.591 399 HG12 ILE 52 2HG1 ILE 52 5.533 -16.764 -3.340 400 HG13 ILE 52 1HG1 ILE 52 6.223 -16.248 -1.810 401 HG21 ILE 52 1HG2 ILE 52 6.770 -20.279 -3.104 402 HG22 ILE 52 2HG2 ILE 52 7.558 -18.973 -3.986 403 HG23 ILE 52 3HG2 ILE 52 5.808 -19.173 -4.086 404 HD11 ILE 52 1HD1 ILE 52 7.772 -16.930 -4.299 405 HD12 ILE 52 2HD1 ILE 52 8.452 -16.374 -2.766 406 HD13 ILE 52 3HD1 ILE 52 7.410 -15.307 -3.703 407 H SER 53 H SER 53 6.370 -19.857 0.582 408 HA SER 53 HA SER 53 6.252 -22.570 -0.140 409 HB2 SER 53 2HB SER 53 6.179 -21.441 2.672 410 HB3 SER 53 1HB SER 53 6.766 -23.030 2.187 411 HG SER 53 HG SER 53 8.116 -21.324 0.756 412 H TRP 54 H TRP 54 4.088 -20.545 1.785 413 HA TRP 54 HA TRP 54 2.216 -22.495 2.511 414 HB2 TRP 54 2HB TRP 54 2.405 -20.192 3.523 415 HB3 TRP 54 1HB TRP 54 1.693 -19.535 2.062 416 HD1 TRP 54 HD TRP 54 0.819 -21.480 5.195 417 HE1 TRP 54 1HE TRP 54 -1.725 -21.637 5.434 418 HE3 TRP 54 3HE TRP 54 -0.548 -19.532 0.667 419 HZ2 TRP 54 2HZ TRP 54 -4.027 -21.021 3.914 420 HZ3 TRP 54 3HZ TRP 54 -2.943 -19.357 0.138 421 HH2 TRP 54 HH TRP 54 -4.645 -20.081 1.730 422 H LEU 55 H LEU 55 2.297 -20.203 -0.127 423 HA LEU 55 HA LEU 55 -0.126 -20.821 -1.360 424 HB2 LEU 55 2HB LEU 55 1.175 -18.799 -1.715 425 HB3 LEU 55 1HB LEU 55 2.456 -19.735 -2.439 426 HG LEU 55 HG LEU 55 0.956 -20.263 -4.328 427 HD11 LEU 55 1HD1 LEU 55 -1.182 -20.096 -3.300 428 HD12 LEU 55 2HD1 LEU 55 -1.081 -18.855 -4.566 429 HD13 LEU 55 3HD1 LEU 55 -0.914 -18.411 -2.871 430 HD21 LEU 55 1HD2 LEU 55 2.529 -18.438 -4.459 431 HD22 LEU 55 2HD2 LEU 55 1.368 -17.356 -3.691 432 HD23 LEU 55 3HD2 LEU 55 1.037 -18.005 -5.294 433 H ASP 56 H ASP 56 2.972 -22.353 -1.576 434 HA ASP 56 HA ASP 56 2.336 -23.847 -3.940 435 HB2 ASP 56 2HB ASP 56 4.643 -23.196 -3.453 436 HB3 ASP 56 1HB ASP 56 4.605 -24.119 -1.963 437 H SER 57 H SER 57 2.322 -24.401 -0.463 438 HA SER 57 HA SER 57 1.607 -27.159 -0.927 439 HB2 SER 57 2HB SER 57 2.278 -25.715 1.634 440 HB3 SER 57 1HB SER 57 1.987 -27.450 1.489 441 HG SER 57 HG SER 57 3.676 -27.557 0.046 442 H ASN 58 H ASN 58 -0.096 -24.265 -0.440 443 HA ASN 58 HA ASN 58 -2.397 -25.799 0.537 444 HB2 ASN 58 2HB ASN 58 -1.644 -22.962 1.319 445 HB3 ASN 58 1HB ASN 58 -3.125 -23.775 1.801 446 HD21 ASN 58 1HD2 ASN 58 0.290 -23.598 2.221 447 HD22 ASN 58 2HD2 ASN 58 0.392 -24.515 3.689 448 H THR 59 H THR 59 -1.633 -25.298 -2.076 449 HA THR 59 HA THR 59 -2.809 -23.003 -3.204 450 HB THR 59 HB THR 59 -1.032 -24.154 -4.384 451 HG1 THR 59 1HG THR 59 -3.429 -24.401 -5.875 452 HG21 THR 59 1HG2 THR 59 -1.391 -26.333 -5.492 453 HG22 THR 59 2HG2 THR 59 -2.979 -26.445 -4.733 454 HG23 THR 59 3HG2 THR 59 -1.524 -26.470 -3.739 455 H THR 60 H THR 60 -4.241 -26.050 -2.301 456 HA THR 60 HA THR 60 -6.595 -25.498 -3.907 457 HB THR 60 HB THR 60 -7.193 -27.843 -2.953 458 HG1 THR 60 1HG THR 60 -5.183 -29.012 -2.534 459 HG21 THR 60 1HG2 THR 60 -6.622 -27.419 -5.304 460 HG22 THR 60 2HG2 THR 60 -5.896 -28.926 -4.743 461 HG23 THR 60 3HG2 THR 60 -4.907 -27.480 -4.901 462 H ALA 61 H ALA 61 -5.741 -24.151 -1.278 463 HA ALA 61 HA ALA 61 -7.725 -24.923 0.640 464 HB1 ALA 61 1HB ALA 61 -6.928 -22.983 1.907 465 HB2 ALA 61 2HB ALA 61 -5.988 -22.450 0.515 466 HB3 ALA 61 3HB ALA 61 -5.573 -23.955 1.333 467 H SER 62 H SER 62 -9.012 -22.838 1.551 468 HA SER 62 HA SER 62 -10.785 -22.203 -0.636 469 HB2 SER 62 2HB SER 62 -11.000 -21.551 2.313 470 HB3 SER 62 1HB SER 62 -12.300 -21.446 1.120 471 HG SER 62 HG SER 62 -11.136 -23.654 2.325 472 H LYS 63 H LYS 63 -11.477 -20.003 -1.071 473 HA LYS 63 HA LYS 63 -9.353 -18.294 -1.633 474 HB2 LYS 63 2HB LYS 63 -11.015 -16.649 -2.332 475 HB3 LYS 63 1HB LYS 63 -11.472 -18.259 -2.870 476 HG2 LYS 63 2HG LYS 63 -13.045 -18.388 -0.948 477 HG3 LYS 63 1HG LYS 63 -12.642 -16.716 -0.566 478 HD2 LYS 63 2HD LYS 63 -13.399 -16.059 -2.826 479 HD3 LYS 63 1HD LYS 63 -13.893 -17.728 -3.117 480 HE2 LYS 63 2HE LYS 63 -15.848 -16.547 -2.448 481 HE3 LYS 63 1HE LYS 63 -15.343 -17.546 -1.087 482 HZ1 LYS 63 1HZ LYS 63 -14.825 -14.639 -1.375 483 HZ2 LYS 63 2HZ LYS 63 -14.345 -15.570 -0.050 484 HZ3 LYS 63 3HZ LYS 63 -15.978 -15.342 -0.380 485 H GLU 64 H GLU 64 -11.416 -18.350 1.150 486 HA GLU 64 HA GLU 64 -10.816 -15.803 2.204 487 HB2 GLU 64 2HB GLU 64 -11.653 -18.301 3.675 488 HB3 GLU 64 1HB GLU 64 -11.785 -16.648 4.265 489 HG2 GLU 64 2HG GLU 64 -13.244 -17.802 1.900 490 HG3 GLU 64 1HG GLU 64 -13.933 -17.504 3.495 491 H GLU 65 H GLU 65 -9.183 -18.874 2.313 492 HA GLU 65 HA GLU 65 -7.551 -18.231 4.558 493 HB2 GLU 65 2HB GLU 65 -7.253 -20.446 2.522 494 HB3 GLU 65 1HB GLU 65 -6.442 -20.356 4.087 495 HG2 GLU 65 2HG GLU 65 -8.621 -20.404 5.206 496 HG3 GLU 65 1HG GLU 65 -9.409 -20.538 3.646 497 H PHE 66 H PHE 66 -7.302 -18.023 1.098 498 HA PHE 66 HA PHE 66 -4.552 -17.265 0.992 499 HB2 PHE 66 2HB PHE 66 -6.827 -16.747 -0.952 500 HB3 PHE 66 1HB PHE 66 -5.155 -16.320 -1.275 501 HD1 PHE 66 1HD PHE 66 -7.521 -19.102 -0.871 502 HD2 PHE 66 2HD PHE 66 -3.556 -17.976 -1.906 503 HE1 PHE 66 1HE PHE 66 -7.138 -21.332 -1.804 504 HE2 PHE 66 2HE PHE 66 -3.171 -20.217 -2.841 505 HZ PHE 66 HZ PHE 66 -4.960 -21.893 -2.790 506 H ASP 67 H ASP 67 -7.596 -15.536 1.181 507 HA ASP 67 HA ASP 67 -6.678 -12.898 1.127 508 HB2 ASP 67 2HB ASP 67 -9.030 -13.347 0.936 509 HB3 ASP 67 1HB ASP 67 -9.057 -14.147 2.502 510 H ASP 68 H ASP 68 -7.148 -15.079 3.814 511 HA ASP 68 HA ASP 68 -6.436 -13.411 5.938 512 HB2 ASP 68 2HB ASP 68 -7.465 -15.628 6.187 513 HB3 ASP 68 1HB ASP 68 -5.945 -16.329 5.607 514 H LYS 69 H LYS 69 -4.391 -15.436 3.865 515 HA LYS 69 HA LYS 69 -2.016 -14.832 5.324 516 HB2 LYS 69 2HB LYS 69 -2.283 -15.899 2.509 517 HB3 LYS 69 1HB LYS 69 -0.789 -15.843 3.431 518 HG2 LYS 69 2HG LYS 69 -3.248 -17.439 4.116 519 HG3 LYS 69 1HG LYS 69 -1.759 -18.079 3.431 520 HD2 LYS 69 2HD LYS 69 -1.992 -16.738 6.143 521 HD3 LYS 69 1HD LYS 69 -1.979 -18.475 5.878 522 HE2 LYS 69 2HE LYS 69 0.280 -18.328 4.953 523 HE3 LYS 69 1HE LYS 69 0.261 -16.579 5.165 524 HZ1 LYS 69 1HZ LYS 69 1.434 -17.644 6.977 525 HZ2 LYS 69 2HZ LYS 69 0.107 -18.582 7.374 526 HZ3 LYS 69 3HZ LYS 69 0.045 -16.898 7.543 527 H LEU 70 H LEU 70 -3.660 -13.412 2.627 528 HA LEU 70 HA LEU 70 -1.630 -11.611 1.864 529 HB2 LEU 70 2HB LEU 70 -3.645 -12.212 0.487 530 HB3 LEU 70 1HB LEU 70 -4.644 -11.326 1.604 531 HG LEU 70 HG LEU 70 -4.171 -10.203 -0.609 532 HD11 LEU 70 1HD1 LEU 70 -3.813 -7.967 0.295 533 HD12 LEU 70 2HD1 LEU 70 -3.352 -8.670 1.848 534 HD13 LEU 70 3HD1 LEU 70 -4.995 -8.880 1.236 535 HD21 LEU 70 1HD2 LEU 70 -1.418 -9.888 0.570 536 HD22 LEU 70 2HD2 LEU 70 -2.017 -9.054 -0.858 537 HD23 LEU 70 3HD2 LEU 70 -1.850 -10.812 -0.873 538 H LYS 71 H LYS 71 -4.171 -11.553 4.259 539 HA LYS 71 HA LYS 71 -4.029 -8.908 5.141 540 HB2 LYS 71 2HB LYS 71 -5.794 -10.346 5.927 541 HB3 LYS 71 1HB LYS 71 -4.632 -11.426 6.691 542 HG2 LYS 71 2HG LYS 71 -3.973 -9.525 8.181 543 HG3 LYS 71 1HG LYS 71 -5.312 -8.608 7.495 544 HD2 LYS 71 2HD LYS 71 -6.879 -10.264 8.294 545 HD3 LYS 71 1HD LYS 71 -5.557 -11.254 8.904 546 HE2 LYS 71 2HE LYS 71 -6.240 -8.467 9.840 547 HE3 LYS 71 1HE LYS 71 -6.631 -9.957 10.693 548 HZ1 LYS 71 1HZ LYS 71 -3.866 -8.943 10.137 549 HZ2 LYS 71 2HZ LYS 71 -4.238 -10.410 10.863 550 HZ3 LYS 71 3HZ LYS 71 -4.655 -8.985 11.627 551 H GLU 72 H GLU 72 -2.383 -11.758 6.539 552 HA GLU 72 HA GLU 72 -0.845 -10.200 8.323 553 HB2 GLU 72 2HB GLU 72 0.502 -12.229 8.698 554 HB3 GLU 72 1HB GLU 72 -1.225 -12.528 8.825 555 HG2 GLU 72 2HG GLU 72 -1.242 -13.476 6.613 556 HG3 GLU 72 1HG GLU 72 0.473 -13.124 6.423 557 H LEU 73 H LEU 73 -0.285 -11.261 5.033 558 HA LEU 73 HA LEU 73 2.423 -10.634 4.818 559 HB2 LEU 73 2HB LEU 73 0.914 -11.787 3.094 560 HB3 LEU 73 1HB LEU 73 0.285 -10.212 2.699 561 HG LEU 73 HG LEU 73 1.925 -11.104 1.055 562 HD11 LEU 73 1HD1 LEU 73 3.263 -9.089 0.792 563 HD12 LEU 73 2HD1 LEU 73 2.812 -8.584 2.427 564 HD13 LEU 73 3HD1 LEU 73 1.581 -8.713 1.173 565 HD21 LEU 73 1HD2 LEU 73 3.902 -10.738 3.285 566 HD22 LEU 73 2HD2 LEU 73 4.292 -11.176 1.617 567 HD23 LEU 73 3HD2 LEU 73 3.349 -12.276 2.633 568 H GLN 74 H GLN 74 -0.463 -8.647 4.290 569 HA GLN 74 HA GLN 74 0.936 -6.235 3.872 570 HB2 GLN 74 2HB GLN 74 -1.930 -6.782 4.592 571 HB3 GLN 74 1HB GLN 74 -1.306 -5.149 4.403 572 HG2 GLN 74 2HG GLN 74 -1.261 -7.290 2.283 573 HG3 GLN 74 1HG GLN 74 -2.424 -5.965 2.382 574 HE21 GLN 74 1HE2 GLN 74 -0.512 -6.615 0.284 575 HE22 GLN 74 2HE2 GLN 74 0.475 -5.203 0.094 576 H ASP 75 H ASP 75 -0.385 -7.694 6.798 577 HA ASP 75 HA ASP 75 -0.055 -5.470 8.496 578 HB2 ASP 75 2HB ASP 75 0.044 -8.410 9.188 579 HB3 ASP 75 1HB ASP 75 0.230 -7.157 10.399 580 H ILE 76 H ILE 76 2.214 -7.971 7.604 581 HA ILE 76 HA ILE 76 4.250 -6.892 9.325 582 HB ILE 76 HB ILE 76 4.459 -8.988 7.142 583 HG12 ILE 76 2HG1 ILE 76 3.025 -9.735 8.967 584 HG13 ILE 76 1HG1 ILE 76 4.545 -10.616 9.004 585 HG21 ILE 76 1HG2 ILE 76 6.630 -7.968 7.507 586 HG22 ILE 76 2HG2 ILE 76 6.617 -9.614 8.137 587 HG23 ILE 76 3HG2 ILE 76 6.495 -8.246 9.244 588 HD11 ILE 76 1HD1 ILE 76 5.316 -9.163 10.834 589 HD12 ILE 76 2HD1 ILE 76 3.842 -10.039 11.240 590 HD13 ILE 76 3HD1 ILE 76 3.758 -8.331 10.811 591 H ALA 77 H ALA 77 3.567 -6.829 5.853 592 HA ALA 77 HA ALA 77 6.017 -5.556 5.199 593 HB1 ALA 77 1HB ALA 77 4.851 -6.965 3.577 594 HB2 ALA 77 2HB ALA 77 5.135 -5.338 2.940 595 HB3 ALA 77 3HB ALA 77 3.538 -5.791 3.510 596 H ASN 78 H ASN 78 2.713 -4.298 5.616 597 HA ASN 78 HA ASN 78 3.048 -1.922 4.284 598 HB2 ASN 78 2HB ASN 78 0.848 -2.741 5.039 599 HB3 ASN 78 1HB ASN 78 1.236 -2.251 6.682 600 HD21 ASN 78 1HD2 ASN 78 0.408 -1.170 3.490 601 HD22 ASN 78 2HD2 ASN 78 0.054 0.463 3.909 602 HA PRO 79 HA PRO 79 4.536 0.535 8.234 603 HB2 PRO 79 2HB PRO 79 6.009 -1.626 9.647 604 HB3 PRO 79 1HB PRO 79 5.044 -0.308 10.320 605 HG2 PRO 79 2HG PRO 79 4.109 -2.785 10.344 606 HG3 PRO 79 1HG PRO 79 3.033 -1.431 9.981 607 HD2 PRO 79 2HD PRO 79 4.308 -3.385 8.106 608 HD3 PRO 79 1HD PRO 79 2.650 -2.750 8.112 609 H ILE 80 H ILE 80 6.396 -2.277 7.144 610 HA ILE 80 HA ILE 80 8.895 -0.910 7.055 611 HB ILE 80 HB ILE 80 7.994 -3.514 5.782 612 HG12 ILE 80 2HG1 ILE 80 9.614 -3.008 8.288 613 HG13 ILE 80 1HG1 ILE 80 7.900 -3.398 8.265 614 HG21 ILE 80 1HG2 ILE 80 10.769 -2.378 6.111 615 HG22 ILE 80 2HG2 ILE 80 9.925 -2.648 4.586 616 HG23 ILE 80 3HG2 ILE 80 10.409 -4.023 5.581 617 HD11 ILE 80 1HD1 ILE 80 8.396 -5.547 7.280 618 HD12 ILE 80 2HD1 ILE 80 9.255 -5.333 8.809 619 HD13 ILE 80 3HD1 ILE 80 10.121 -5.171 7.277 620 H MET 81 H MET 81 6.365 -1.668 4.777 621 HA MET 81 HA MET 81 7.617 -0.637 2.470 622 HB2 MET 81 2HB MET 81 4.661 -0.820 3.078 623 HB3 MET 81 1HB MET 81 5.349 -0.519 1.490 624 HG2 MET 81 2HG MET 81 5.683 -3.012 3.139 625 HG3 MET 81 1HG MET 81 4.658 -2.828 1.721 626 HE1 MET 81 1HE MET 81 7.169 -2.526 -1.160 627 HE2 MET 81 2HE MET 81 6.453 -1.184 -0.261 628 HE3 MET 81 3HE MET 81 5.472 -2.624 -0.642 629 H SER 82 H SER 82 5.898 0.858 5.101 630 HA SER 82 HA SER 82 5.476 3.345 3.866 631 HB2 SER 82 2HB SER 82 4.363 2.623 6.009 632 HB3 SER 82 1HB SER 82 5.914 2.798 6.829 633 HG SER 82 HG SER 82 4.449 4.849 5.513 634 H LYS 83 H LYS 83 8.129 2.022 5.839 635 HA LYS 83 HA LYS 83 9.871 4.196 5.796 636 HB2 LYS 83 2HB LYS 83 10.521 1.263 5.608 637 HB3 LYS 83 1HB LYS 83 11.729 2.505 5.807 638 HG2 LYS 83 2HG LYS 83 10.752 3.036 7.992 639 HG3 LYS 83 1HG LYS 83 9.593 1.708 7.769 640 HD2 LYS 83 2HD LYS 83 11.418 0.119 7.525 641 HD3 LYS 83 1HD LYS 83 12.599 1.413 7.645 642 HE2 LYS 83 2HE LYS 83 11.862 1.839 9.943 643 HE3 LYS 83 1HE LYS 83 10.703 0.513 9.804 644 HZ1 LYS 83 1HZ LYS 83 12.550 -1.016 9.438 645 HZ2 LYS 83 2HZ LYS 83 12.755 -0.203 10.897 646 HZ3 LYS 83 3HZ LYS 83 13.670 0.231 9.567 647 H LEU 84 H LEU 84 9.321 1.609 3.454 648 HA LEU 84 HA LEU 84 11.399 2.087 1.682 649 HB2 LEU 84 2HB LEU 84 9.810 0.093 1.871 650 HB3 LEU 84 1HB LEU 84 8.644 1.055 1.014 651 HG LEU 84 HG LEU 84 11.310 0.243 -0.150 652 HD11 LEU 84 1HD1 LEU 84 10.134 -1.461 -1.347 653 HD12 LEU 84 2HD1 LEU 84 8.647 -1.040 -0.503 654 HD13 LEU 84 3HD1 LEU 84 10.014 -1.697 0.396 655 HD21 LEU 84 1HD2 LEU 84 10.273 0.775 -2.306 656 HD22 LEU 84 2HD2 LEU 84 10.267 2.194 -1.258 657 HD23 LEU 84 3HD2 LEU 84 8.790 1.259 -1.483 658 H TYR 85 H TYR 85 8.028 3.176 1.595 659 HA TYR 85 HA TYR 85 8.498 4.775 -0.683 660 HB2 TYR 85 2HB TYR 85 6.136 4.703 1.184 661 HB3 TYR 85 1HB TYR 85 6.208 5.717 -0.249 662 HD1 TYR 85 1HD TYR 85 5.384 2.501 1.021 663 HD2 TYR 85 2HD TYR 85 6.565 4.523 -2.521 664 HE1 TYR 85 1HE TYR 85 4.545 0.629 -0.317 665 HE2 TYR 85 2HE TYR 85 5.729 2.647 -3.874 666 HH TYR 85 HH TYR 85 3.717 0.302 -2.582 667 H GLN 86 H GLN 86 8.698 5.434 2.725 668 HA GLN 86 HA GLN 86 8.767 8.256 2.503 669 HB2 GLN 86 2HB GLN 86 9.949 6.410 4.578 670 HB3 GLN 86 1HB GLN 86 10.032 8.161 4.696 671 HG2 GLN 86 2HG GLN 86 7.497 6.542 4.568 672 HG3 GLN 86 1HG GLN 86 8.214 7.205 6.036 673 HE21 GLN 86 1HE2 GLN 86 8.146 9.398 6.373 674 HE22 GLN 86 2HE2 GLN 86 7.069 10.430 5.518 675 H ALA 87 H ALA 87 11.223 5.787 2.166 676 HA ALA 87 HA ALA 87 13.346 7.731 2.028 677 HB1 ALA 87 1HB ALA 87 13.705 5.546 3.103 678 HB2 ALA 87 2HB ALA 87 14.835 5.845 1.783 679 HB3 ALA 87 3HB ALA 87 13.464 4.766 1.539 680 H GLY 88 H GLY 88 11.102 6.619 -0.243 681 HA2 GLY 88 2HA GLY 88 11.861 8.125 -2.292 682 HA3 GLY 88 1HA GLY 88 12.911 6.718 -2.462 683 H GLY 89 H GLY 89 9.605 7.801 -2.351 684 HA2 GLY 89 2HA GLY 89 8.777 5.909 -4.237 685 HA3 GLY 89 1HA GLY 89 8.520 5.278 -2.610 686 H ALA 90 H ALA 90 7.848 7.688 -1.345 687 HA ALA 90 HA ALA 90 6.154 9.011 -0.779 688 HB1 ALA 90 1HB ALA 90 4.878 10.212 -2.468 689 HB2 ALA 90 2HB ALA 90 5.418 9.078 -3.706 690 HB3 ALA 90 3HB ALA 90 6.581 10.154 -2.931 691 HA PRO 91 HA PRO 91 3.130 5.707 -0.513 692 HB2 PRO 91 2HB PRO 91 2.454 6.091 2.075 693 HB3 PRO 91 1HB PRO 91 3.933 5.252 1.599 694 HG2 PRO 91 2HG PRO 91 3.574 8.004 2.648 695 HG3 PRO 91 1HG PRO 91 4.937 6.895 2.849 696 HD2 PRO 91 2HD PRO 91 4.796 9.050 1.047 697 HD3 PRO 91 1HD PRO 91 5.993 7.741 1.026 698 H GLY 92 H GLY 92 1.167 6.028 -1.378 699 HA2 GLY 92 2HA GLY 92 -1.070 6.869 -0.454 700 HA3 GLY 92 1HA GLY 92 -0.301 8.443 -0.618 701 H GLY 93 H GLY 93 0.970 8.343 -2.931 702 HA2 GLY 93 2HA GLY 93 0.780 7.949 -5.243 703 HA3 GLY 93 1HA GLY 93 -0.814 7.261 -4.977 704 H ALA 94 H ALA 94 -0.310 10.099 -3.285 705 HA ALA 94 HA ALA 94 -1.081 12.193 -3.343 706 HB1 ALA 94 1HB ALA 94 -0.999 13.459 -5.449 707 HB2 ALA 94 2HB ALA 94 -0.789 11.949 -6.340 708 HB3 ALA 94 3HB ALA 94 0.454 12.488 -5.214 709 H ALA 95 H ALA 95 -2.869 9.825 -3.731 710 HA ALA 95 HA ALA 95 -5.313 11.318 -4.275 711 HB1 ALA 95 1HB ALA 95 -4.658 8.607 -5.449 712 HB2 ALA 95 2HB ALA 95 -4.799 10.112 -6.355 713 HB3 ALA 95 3HB ALA 95 -6.216 9.425 -5.561 714 H GLY 96 H GLY 96 -7.094 10.465 -3.113 715 HA2 GLY 96 2HA GLY 96 -6.739 8.167 -1.464 716 HA3 GLY 96 1HA GLY 96 -6.680 9.686 -0.573 717 H GLY 97 H GLY 97 -8.612 8.710 0.435 718 HA2 GLY 97 2HA GLY 97 -10.994 9.446 -1.126 719 HA3 GLY 97 1HA GLY 97 -10.947 7.968 -0.168 720 H ALA 98 H ALA 98 -9.753 11.193 0.447 721 HA ALA 98 HA ALA 98 -9.897 12.616 2.144 722 HB1 ALA 98 1HB ALA 98 -12.170 12.943 1.288 723 HB2 ALA 98 2HB ALA 98 -12.133 13.133 3.046 724 HB3 ALA 98 3HB ALA 98 -12.745 11.645 2.324 725 HA PRO 99 HA PRO 99 -8.663 9.433 5.171 726 HB2 PRO 99 2HB PRO 99 -6.976 11.757 5.952 727 HB3 PRO 99 1HB PRO 99 -6.513 10.070 5.714 728 HG2 PRO 99 2HG PRO 99 -5.876 11.906 3.908 729 HG3 PRO 99 1HG PRO 99 -6.411 10.288 3.406 730 HD2 PRO 99 2HD PRO 99 -7.917 12.865 3.414 731 HD3 PRO 99 1HD PRO 99 -7.933 11.552 2.222 732 H GLY 100 H GLY 100 -9.959 9.188 6.807 733 HA2 GLY 100 2HA GLY 100 -10.749 11.521 8.392 734 HA3 GLY 100 1HA GLY 100 -11.630 9.996 8.314 735 H GLY 101 H GLY 101 -9.147 8.417 8.485 736 HA2 GLY 101 2HA GLY 101 -7.356 8.761 10.348 737 HA3 GLY 101 1HA GLY 101 -8.789 8.584 11.356 Start of MODEL 16 1 H1 SER 1 1HT SER 1 -20.860 -25.476 -11.734 2 H2 SER 1 2HT SER 1 -21.992 -24.917 -12.845 3 H3 SER 1 3HT SER 1 -22.359 -26.268 -11.884 4 HA SER 1 HA SER 1 -23.487 -24.317 -11.100 5 HB2 SER 1 2HB SER 1 -22.747 -25.960 -9.422 6 HB3 SER 1 1HB SER 1 -21.158 -25.216 -9.360 7 HG SER 1 HG SER 1 -23.510 -24.480 -8.133 8 H LYS 2 H LYS 2 -23.491 -22.117 -11.241 9 HA LYS 2 HA LYS 2 -21.247 -20.766 -12.256 10 HB2 LYS 2 2HB LYS 2 -23.526 -19.987 -12.686 11 HB3 LYS 2 1HB LYS 2 -23.742 -19.624 -10.981 12 HG2 LYS 2 2HG LYS 2 -21.844 -18.002 -11.165 13 HG3 LYS 2 1HG LYS 2 -21.865 -18.274 -12.907 14 HD2 LYS 2 2HD LYS 2 -24.152 -17.491 -13.020 15 HD3 LYS 2 1HD LYS 2 -24.189 -17.273 -11.270 16 HE2 LYS 2 2HE LYS 2 -22.342 -15.643 -11.489 17 HE3 LYS 2 1HE LYS 2 -22.446 -15.814 -13.244 18 HZ1 LYS 2 1HZ LYS 2 -24.554 -14.765 -11.433 19 HZ2 LYS 2 2HZ LYS 2 -24.798 -15.102 -13.042 20 HZ3 LYS 2 3HZ LYS 2 -23.716 -13.901 -12.610 21 H GLU 3 H GLU 3 -22.759 -20.731 -9.035 22 HA GLU 3 HA GLU 3 -21.009 -18.835 -7.956 23 HB2 GLU 3 2HB GLU 3 -21.766 -19.514 -5.744 24 HB3 GLU 3 1HB GLU 3 -23.124 -19.410 -6.847 25 HG2 GLU 3 2HG GLU 3 -23.186 -21.822 -7.045 26 HG3 GLU 3 1HG GLU 3 -21.745 -21.953 -6.038 27 H GLU 4 H GLU 4 -20.768 -22.305 -8.163 28 HA GLU 4 HA GLU 4 -18.521 -22.653 -6.483 29 HB2 GLU 4 2HB GLU 4 -20.050 -24.449 -7.357 30 HB3 GLU 4 1HB GLU 4 -19.245 -24.269 -8.907 31 HG2 GLU 4 2HG GLU 4 -17.096 -24.784 -7.719 32 HG3 GLU 4 1HG GLU 4 -18.081 -25.249 -6.329 33 H ASP 5 H ASP 5 -18.918 -22.141 -9.942 34 HA ASP 5 HA ASP 5 -16.183 -22.317 -10.628 35 HB2 ASP 5 2HB ASP 5 -18.014 -22.657 -12.242 36 HB3 ASP 5 1HB ASP 5 -18.462 -20.966 -12.078 37 H GLU 6 H GLU 6 -18.289 -19.648 -9.769 38 HA GLU 6 HA GLU 6 -16.373 -17.603 -10.119 39 HB2 GLU 6 2HB GLU 6 -18.732 -17.706 -8.241 40 HB3 GLU 6 1HB GLU 6 -17.760 -16.273 -8.520 41 HG2 GLU 6 2HG GLU 6 -18.436 -16.340 -10.899 42 HG3 GLU 6 1HG GLU 6 -19.489 -17.706 -10.521 43 H LYS 7 H LYS 7 -17.202 -19.616 -7.335 44 HA LYS 7 HA LYS 7 -15.442 -18.363 -5.539 45 HB2 LYS 7 2HB LYS 7 -16.521 -21.190 -5.520 46 HB3 LYS 7 1HB LYS 7 -15.626 -20.469 -4.185 47 HG2 LYS 7 2HG LYS 7 -17.342 -18.787 -3.900 48 HG3 LYS 7 1HG LYS 7 -18.202 -19.399 -5.304 49 HD2 LYS 7 2HD LYS 7 -18.525 -21.548 -4.145 50 HD3 LYS 7 1HD LYS 7 -17.736 -20.878 -2.715 51 HE2 LYS 7 2HE LYS 7 -19.452 -19.168 -2.525 52 HE3 LYS 7 1HE LYS 7 -20.214 -19.733 -4.007 53 HZ1 LYS 7 1HZ LYS 7 -21.345 -20.503 -2.016 54 HZ2 LYS 7 2HZ LYS 7 -19.982 -21.324 -1.499 55 HZ3 LYS 7 3HZ LYS 7 -20.780 -21.784 -2.928 56 H GLU 8 H GLU 8 -14.965 -21.134 -7.686 57 HA GLU 8 HA GLU 8 -12.311 -21.622 -6.893 58 HB2 GLU 8 2HB GLU 8 -13.720 -22.246 -9.484 59 HB3 GLU 8 1HB GLU 8 -12.069 -22.739 -9.152 60 HG2 GLU 8 2HG GLU 8 -14.502 -23.550 -7.574 61 HG3 GLU 8 1HG GLU 8 -13.639 -24.539 -8.752 62 H SER 9 H SER 9 -13.627 -19.523 -9.437 63 HA SER 9 HA SER 9 -11.053 -18.816 -10.342 64 HB2 SER 9 2HB SER 9 -12.266 -16.945 -11.519 65 HB3 SER 9 1HB SER 9 -12.785 -18.584 -11.915 66 HG SER 9 HG SER 9 -14.612 -18.302 -10.899 67 H GLN 10 H GLN 10 -13.257 -17.320 -8.003 68 HA GLN 10 HA GLN 10 -11.580 -15.088 -7.547 69 HB2 GLN 10 2HB GLN 10 -13.632 -16.358 -5.719 70 HB3 GLN 10 1HB GLN 10 -12.805 -14.851 -5.364 71 HG2 GLN 10 2HG GLN 10 -14.659 -15.373 -7.679 72 HG3 GLN 10 1HG GLN 10 -15.023 -14.428 -6.240 73 HE21 GLN 10 1HE2 GLN 10 -15.089 -13.638 -9.009 74 HE22 GLN 10 2HE2 GLN 10 -14.024 -12.299 -9.164 75 H ARG 11 H ARG 11 -11.681 -18.314 -6.246 76 HA ARG 11 HA ARG 11 -9.725 -18.069 -4.257 77 HB2 ARG 11 2HB ARG 11 -11.075 -20.055 -4.408 78 HB3 ARG 11 1HB ARG 11 -10.532 -20.362 -6.044 79 HG2 ARG 11 2HG ARG 11 -8.271 -20.799 -5.169 80 HG3 ARG 11 1HG ARG 11 -8.902 -20.591 -3.532 81 HD2 ARG 11 2HD ARG 11 -10.305 -22.470 -3.718 82 HD3 ARG 11 1HD ARG 11 -10.099 -22.548 -5.470 83 HE ARG 11 HE ARG 11 -7.860 -22.946 -3.655 84 HH11 ARG 11 1HH1 ARG 11 -10.168 -24.387 -5.989 85 HH12 ARG 11 2HH1 ARG 11 -9.101 -25.570 -6.508 86 HH21 ARG 11 1HH2 ARG 11 -6.320 -24.630 -4.535 87 HH22 ARG 11 2HH2 ARG 11 -6.927 -25.735 -5.683 88 H ILE 12 H ILE 12 -9.451 -18.842 -7.712 89 HA ILE 12 HA ILE 12 -6.635 -18.979 -7.770 90 HB ILE 12 HB ILE 12 -8.502 -18.217 -10.050 91 HG12 ILE 12 2HG1 ILE 12 -7.326 -20.919 -9.335 92 HG13 ILE 12 1HG1 ILE 12 -8.972 -20.431 -8.969 93 HG21 ILE 12 1HG2 ILE 12 -6.128 -17.614 -10.512 94 HG22 ILE 12 2HG2 ILE 12 -6.628 -18.981 -11.505 95 HG23 ILE 12 3HG2 ILE 12 -5.647 -19.251 -10.076 96 HD11 ILE 12 1HD1 ILE 12 -8.864 -21.858 -10.937 97 HD12 ILE 12 2HD1 ILE 12 -7.797 -20.692 -11.728 98 HD13 ILE 12 3HD1 ILE 12 -9.459 -20.250 -11.342 99 H ALA 13 H ALA 13 -8.913 -16.342 -8.256 100 HA ALA 13 HA ALA 13 -7.083 -14.363 -8.945 101 HB1 ALA 13 1HB ALA 13 -9.517 -14.088 -9.165 102 HB2 ALA 13 2HB ALA 13 -8.790 -12.746 -8.284 103 HB3 ALA 13 3HB ALA 13 -9.656 -14.006 -7.408 104 H SER 14 H SER 14 -8.143 -15.502 -5.796 105 HA SER 14 HA SER 14 -6.759 -13.599 -4.227 106 HB2 SER 14 2HB SER 14 -7.528 -16.449 -3.516 107 HB3 SER 14 1HB SER 14 -7.129 -15.167 -2.371 108 HG SER 14 HG SER 14 -9.307 -15.121 -4.209 109 H LYS 15 H LYS 15 -5.976 -16.900 -5.260 110 HA LYS 15 HA LYS 15 -3.413 -17.235 -4.241 111 HB2 LYS 15 2HB LYS 15 -4.642 -19.045 -5.238 112 HB3 LYS 15 1HB LYS 15 -4.758 -18.205 -6.766 113 HG2 LYS 15 2HG LYS 15 -3.209 -20.056 -6.933 114 HG3 LYS 15 1HG LYS 15 -2.351 -18.537 -7.113 115 HD2 LYS 15 2HD LYS 15 -1.390 -18.695 -4.976 116 HD3 LYS 15 1HD LYS 15 -2.523 -19.952 -4.471 117 HE2 LYS 15 2HE LYS 15 -0.275 -20.860 -4.945 118 HE3 LYS 15 1HE LYS 15 -1.503 -21.535 -6.001 119 HZ1 LYS 15 1HZ LYS 15 -0.755 -19.931 -7.722 120 HZ2 LYS 15 2HZ LYS 15 0.357 -21.062 -7.290 121 HZ3 LYS 15 3HZ LYS 15 0.559 -19.489 -6.743 122 H ASN 16 H ASN 16 -4.418 -16.007 -7.346 123 HA ASN 16 HA ASN 16 -2.012 -15.384 -8.562 124 HB2 ASN 16 2HB ASN 16 -4.253 -15.472 -9.632 125 HB3 ASN 16 1HB ASN 16 -4.672 -13.975 -8.820 126 HD21 ASN 16 1HD2 ASN 16 -3.067 -15.437 -11.421 127 HD22 ASN 16 2HD2 ASN 16 -2.552 -13.997 -12.224 128 H GLN 17 H GLN 17 -4.162 -13.272 -6.667 129 HA GLN 17 HA GLN 17 -2.522 -10.966 -6.874 130 HB2 GLN 17 2HB GLN 17 -4.906 -10.799 -6.418 131 HB3 GLN 17 1HB GLN 17 -4.708 -11.685 -4.917 132 HG2 GLN 17 2HG GLN 17 -3.326 -9.813 -4.055 133 HG3 GLN 17 1HG GLN 17 -3.686 -8.920 -5.535 134 HE21 GLN 17 1HE2 GLN 17 -4.747 -7.299 -4.371 135 HE22 GLN 17 2HE2 GLN 17 -6.298 -7.542 -3.679 136 H LEU 18 H LEU 18 -2.974 -13.322 -4.289 137 HA LEU 18 HA LEU 18 -1.255 -12.103 -2.461 138 HB2 LEU 18 2HB LEU 18 -2.938 -13.674 -1.771 139 HB3 LEU 18 1HB LEU 18 -2.295 -14.919 -2.795 140 HG LEU 18 HG LEU 18 -2.019 -15.249 -0.316 141 HD11 LEU 18 1HD1 LEU 18 0.103 -16.253 -0.490 142 HD12 LEU 18 2HD1 LEU 18 0.557 -15.157 -1.790 143 HD13 LEU 18 3HD1 LEU 18 -0.694 -16.361 -2.074 144 HD21 LEU 18 1HD2 LEU 18 -1.460 -12.952 0.283 145 HD22 LEU 18 2HD2 LEU 18 0.051 -13.078 -0.622 146 HD23 LEU 18 3HD2 LEU 18 -0.207 -14.074 0.811 147 H GLU 19 H GLU 19 -0.658 -14.572 -4.902 148 HA GLU 19 HA GLU 19 2.049 -15.034 -4.267 149 HB2 GLU 19 2HB GLU 19 0.678 -16.577 -5.586 150 HB3 GLU 19 1HB GLU 19 0.562 -15.385 -6.868 151 HG2 GLU 19 2HG GLU 19 2.904 -15.519 -7.261 152 HG3 GLU 19 1HG GLU 19 3.111 -16.645 -5.920 153 H SER 20 H SER 20 0.490 -12.846 -6.639 154 HA SER 20 HA SER 20 2.967 -11.974 -7.637 155 HB2 SER 20 2HB SER 20 1.619 -10.091 -8.680 156 HB3 SER 20 1HB SER 20 1.120 -11.726 -9.103 157 HG SER 20 HG SER 20 -0.592 -11.567 -7.771 158 H ILE 21 H ILE 21 0.904 -10.727 -5.021 159 HA ILE 21 HA ILE 21 2.329 -8.377 -4.581 160 HB ILE 21 HB ILE 21 0.754 -10.126 -2.648 161 HG12 ILE 21 2HG1 ILE 21 -0.603 -9.101 -4.404 162 HG13 ILE 21 1HG1 ILE 21 -0.976 -8.395 -2.838 163 HG21 ILE 21 1HG2 ILE 21 2.368 -8.888 -1.381 164 HG22 ILE 21 2HG2 ILE 21 0.741 -8.247 -1.095 165 HG23 ILE 21 3HG2 ILE 21 1.864 -7.385 -2.160 166 HD11 ILE 21 1HD1 ILE 21 0.710 -7.146 -5.010 167 HD12 ILE 21 2HD1 ILE 21 0.398 -6.441 -3.424 168 HD13 ILE 21 3HD1 ILE 21 -0.934 -6.696 -4.551 169 H ALA 22 H ALA 22 2.886 -11.665 -3.430 170 HA ALA 22 HA ALA 22 5.015 -11.088 -1.690 171 HB1 ALA 22 1HB ALA 22 4.541 -13.613 -3.279 172 HB2 ALA 22 2HB ALA 22 3.845 -13.250 -1.701 173 HB3 ALA 22 3HB ALA 22 5.588 -13.465 -1.868 174 H TYR 23 H TYR 23 4.994 -11.854 -5.153 175 HA TYR 23 HA TYR 23 7.819 -11.754 -5.414 176 HB2 TYR 23 2HB TYR 23 5.684 -11.465 -7.539 177 HB3 TYR 23 1HB TYR 23 7.406 -11.537 -7.886 178 HD1 TYR 23 1HD TYR 23 4.747 -13.425 -8.371 179 HD2 TYR 23 2HD TYR 23 8.348 -13.663 -6.127 180 HE1 TYR 23 1HE TYR 23 4.630 -15.882 -8.434 181 HE2 TYR 23 2HE TYR 23 8.232 -16.108 -6.188 182 HH TYR 23 HH TYR 23 6.087 -17.782 -8.231 183 H SER 24 H SER 24 5.289 -9.327 -5.994 184 HA SER 24 HA SER 24 6.963 -7.307 -6.908 185 HB2 SER 24 2HB SER 24 4.364 -7.116 -5.368 186 HB3 SER 24 1HB SER 24 5.142 -5.771 -6.204 187 HG SER 24 HG SER 24 4.784 -6.705 -8.106 188 H LEU 25 H LEU 25 5.985 -8.171 -3.625 189 HA LEU 25 HA LEU 25 7.068 -6.079 -2.177 190 HB2 LEU 25 2HB LEU 25 5.632 -7.919 -1.306 191 HB3 LEU 25 1HB LEU 25 7.003 -8.998 -1.442 192 HG LEU 25 HG LEU 25 8.200 -7.715 0.271 193 HD11 LEU 25 1HD1 LEU 25 7.199 -5.518 -0.098 194 HD12 LEU 25 2HD1 LEU 25 7.004 -6.017 1.580 195 HD13 LEU 25 3HD1 LEU 25 5.641 -6.120 0.468 196 HD21 LEU 25 1HD2 LEU 25 6.794 -8.392 2.168 197 HD22 LEU 25 2HD2 LEU 25 6.852 -9.633 0.918 198 HD23 LEU 25 3HD2 LEU 25 5.433 -8.596 1.069 199 H LYS 26 H LYS 26 8.590 -9.141 -3.097 200 HA LYS 26 HA LYS 26 11.073 -8.626 -1.904 201 HB2 LYS 26 2HB LYS 26 10.392 -10.405 -4.241 202 HB3 LYS 26 1HB LYS 26 11.970 -10.391 -3.465 203 HG2 LYS 26 2HG LYS 26 10.839 -11.081 -1.341 204 HG3 LYS 26 1HG LYS 26 9.333 -11.198 -2.245 205 HD2 LYS 26 2HD LYS 26 11.863 -12.757 -2.839 206 HD3 LYS 26 1HD LYS 26 10.457 -13.386 -1.989 207 HE2 LYS 26 2HE LYS 26 9.091 -13.094 -3.990 208 HE3 LYS 26 1HE LYS 26 10.458 -12.379 -4.844 209 HZ1 LYS 26 1HZ LYS 26 11.626 -14.476 -4.693 210 HZ2 LYS 26 2HZ LYS 26 10.122 -14.792 -5.369 211 HZ3 LYS 26 3HZ LYS 26 10.419 -15.127 -3.742 212 H ASN 27 H ASN 27 9.960 -8.043 -5.197 213 HA ASN 27 HA ASN 27 12.507 -7.156 -6.078 214 HB2 ASN 27 2HB ASN 27 9.800 -6.846 -7.381 215 HB3 ASN 27 1HB ASN 27 11.331 -6.423 -8.147 216 HD21 ASN 27 1HD2 ASN 27 9.387 -8.357 -9.003 217 HD22 ASN 27 2HD2 ASN 27 10.165 -9.892 -9.030 218 H THR 28 H THR 28 9.653 -5.473 -4.921 219 HA THR 28 HA THR 28 10.408 -2.876 -5.641 220 HB THR 28 HB THR 28 8.755 -3.708 -3.245 221 HG1 THR 28 1HG THR 28 7.917 -4.523 -5.182 222 HG21 THR 28 1HG2 THR 28 9.442 -1.354 -3.167 223 HG22 THR 28 2HG2 THR 28 7.711 -1.495 -3.485 224 HG23 THR 28 3HG2 THR 28 8.824 -1.118 -4.801 225 H ILE 29 H ILE 29 11.004 -4.629 -2.567 226 HA ILE 29 HA ILE 29 12.427 -2.432 -1.468 227 HB ILE 29 HB ILE 29 12.294 -5.337 -0.558 228 HG12 ILE 29 2HG1 ILE 29 11.290 -4.281 1.504 229 HG13 ILE 29 1HG1 ILE 29 11.326 -2.746 0.670 230 HG21 ILE 29 1HG2 ILE 29 14.512 -4.617 -0.069 231 HG22 ILE 29 2HG2 ILE 29 13.569 -4.737 1.424 232 HG23 ILE 29 3HG2 ILE 29 13.908 -3.158 0.707 233 HD11 ILE 29 1HD1 ILE 29 9.741 -5.159 -0.149 234 HD12 ILE 29 2HD1 ILE 29 9.747 -3.596 -0.975 235 HD13 ILE 29 3HD1 ILE 29 9.123 -3.731 0.674 236 H SER 30 H SER 30 13.408 -5.134 -3.416 237 HA SER 30 HA SER 30 16.178 -4.852 -2.971 238 HB2 SER 30 2HB SER 30 14.729 -6.079 -5.325 239 HB3 SER 30 1HB SER 30 16.435 -6.317 -4.933 240 HG SER 30 HG SER 30 14.137 -7.193 -3.549 241 H GLU 31 H GLU 31 13.980 -2.964 -4.862 242 HA GLU 31 HA GLU 31 15.926 -1.895 -6.672 243 HB2 GLU 31 2HB GLU 31 13.268 -0.727 -5.826 244 HB3 GLU 31 1HB GLU 31 14.239 -0.186 -7.186 245 HG2 GLU 31 2HG GLU 31 13.961 -2.463 -8.166 246 HG3 GLU 31 1HG GLU 31 12.810 -2.803 -6.874 247 H ALA 32 H ALA 32 14.433 -0.833 -3.673 248 HA ALA 32 HA ALA 32 15.901 1.579 -3.413 249 HB1 ALA 32 1HB ALA 32 15.170 1.521 -1.054 250 HB2 ALA 32 2HB ALA 32 14.581 -0.127 -1.294 251 HB3 ALA 32 3HB ALA 32 13.839 1.211 -2.166 252 H GLY 33 H GLY 33 16.267 -1.674 -2.182 253 HA2 GLY 33 2HA GLY 33 18.041 -2.901 -1.517 254 HA3 GLY 33 1HA GLY 33 19.008 -1.839 -2.521 255 H ASP 34 H ASP 34 20.116 -0.216 -1.612 256 HA ASP 34 HA ASP 34 20.967 -0.724 1.102 257 HB2 ASP 34 2HB ASP 34 22.624 -0.283 -0.628 258 HB3 ASP 34 1HB ASP 34 21.887 1.274 -0.964 259 H LYS 35 H LYS 35 18.845 1.378 -0.461 260 HA LYS 35 HA LYS 35 18.994 3.514 1.428 261 HB2 LYS 35 2HB LYS 35 16.964 2.889 -0.693 262 HB3 LYS 35 1HB LYS 35 16.941 4.331 0.318 263 HG2 LYS 35 2HG LYS 35 19.095 5.019 -0.573 264 HG3 LYS 35 1HG LYS 35 19.178 3.550 -1.547 265 HD2 LYS 35 2HD LYS 35 18.449 5.443 -2.897 266 HD3 LYS 35 1HD LYS 35 17.189 4.216 -2.739 267 HE2 LYS 35 2HE LYS 35 16.043 5.515 -1.059 268 HE3 LYS 35 1HE LYS 35 17.335 6.721 -1.046 269 HZ1 LYS 35 1HZ LYS 35 15.311 7.349 -2.291 270 HZ2 LYS 35 2HZ LYS 35 15.615 6.112 -3.386 271 HZ3 LYS 35 3HZ LYS 35 16.698 7.380 -3.244 272 H LEU 36 H LEU 36 17.511 0.469 1.551 273 HA LEU 36 HA LEU 36 15.790 1.470 3.702 274 HB2 LEU 36 2HB LEU 36 14.528 0.446 1.780 275 HB3 LEU 36 1HB LEU 36 15.363 -1.061 2.093 276 HG LEU 36 HG LEU 36 14.316 -1.151 4.339 277 HD11 LEU 36 1HD1 LEU 36 12.421 0.318 4.844 278 HD12 LEU 36 2HD1 LEU 36 12.779 1.262 3.397 279 HD13 LEU 36 3HD1 LEU 36 13.941 1.204 4.724 280 HD21 LEU 36 1HD2 LEU 36 12.050 -1.692 3.570 281 HD22 LEU 36 2HD2 LEU 36 13.296 -2.357 2.521 282 HD23 LEU 36 3HD2 LEU 36 12.400 -0.916 2.025 283 H GLU 37 H GLU 37 15.681 0.133 5.593 284 HA GLU 37 HA GLU 37 18.214 -0.823 6.339 285 HB2 GLU 37 2HB GLU 37 15.557 -1.035 7.731 286 HB3 GLU 37 1HB GLU 37 17.101 -1.466 8.451 287 HG2 GLU 37 2HG GLU 37 17.861 0.861 8.131 288 HG3 GLU 37 1HG GLU 37 16.259 1.263 7.511 289 H GLN 38 H GLN 38 18.924 -2.812 6.821 290 HA GLN 38 HA GLN 38 18.210 -4.798 4.976 291 HB2 GLN 38 2HB GLN 38 20.502 -4.434 5.766 292 HB3 GLN 38 1HB GLN 38 20.043 -5.011 7.359 293 HG2 GLN 38 2HG GLN 38 21.195 -6.743 6.112 294 HG3 GLN 38 1HG GLN 38 19.521 -7.203 6.421 295 HE21 GLN 38 1HE2 GLN 38 19.455 -8.624 4.714 296 HE22 GLN 38 2HE2 GLN 38 19.424 -8.119 3.066 297 H ALA 39 H ALA 39 17.620 -4.537 8.470 298 HA ALA 39 HA ALA 39 16.638 -7.164 8.706 299 HB1 ALA 39 1HB ALA 39 17.339 -5.855 10.680 300 HB2 ALA 39 2HB ALA 39 15.730 -6.548 10.859 301 HB3 ALA 39 3HB ALA 39 15.908 -4.839 10.494 302 H ASP 40 H ASP 40 14.927 -4.102 8.137 303 HA ASP 40 HA ASP 40 12.324 -5.180 8.016 304 HB2 ASP 40 2HB ASP 40 13.456 -2.869 6.409 305 HB3 ASP 40 1HB ASP 40 11.756 -3.283 6.513 306 H LYS 41 H LYS 41 14.732 -4.673 5.541 307 HA LYS 41 HA LYS 41 13.488 -5.587 3.258 308 HB2 LYS 41 2HB LYS 41 15.645 -4.524 3.270 309 HB3 LYS 41 1HB LYS 41 16.348 -5.873 4.148 310 HG2 LYS 41 2HG LYS 41 15.831 -7.315 2.174 311 HG3 LYS 41 1HG LYS 41 15.360 -5.862 1.299 312 HD2 LYS 41 2HD LYS 41 18.072 -6.426 2.511 313 HD3 LYS 41 1HD LYS 41 17.667 -6.461 0.798 314 HE2 LYS 41 2HE LYS 41 17.219 -4.071 0.826 315 HE3 LYS 41 1HE LYS 41 17.483 -4.019 2.568 316 HZ1 LYS 41 1HZ LYS 41 19.542 -4.674 0.520 317 HZ2 LYS 41 2HZ LYS 41 19.781 -4.698 2.187 318 HZ3 LYS 41 3HZ LYS 41 19.427 -3.251 1.410 319 H ASP 42 H ASP 42 15.359 -7.468 5.614 320 HA ASP 42 HA ASP 42 14.964 -9.922 4.217 321 HB2 ASP 42 2HB ASP 42 16.883 -9.510 5.768 322 HB3 ASP 42 1HB ASP 42 15.749 -9.594 7.111 323 H THR 43 H THR 43 13.344 -8.373 6.915 324 HA THR 43 HA THR 43 11.739 -10.511 7.670 325 HB THR 43 HB THR 43 11.024 -7.562 7.774 326 HG1 THR 43 1HG THR 43 12.911 -7.827 8.884 327 HG21 THR 43 1HG2 THR 43 9.620 -8.221 9.682 328 HG22 THR 43 2HG2 THR 43 10.060 -9.910 9.423 329 HG23 THR 43 3HG2 THR 43 9.113 -9.051 8.211 330 H VAL 44 H VAL 44 11.018 -7.932 5.280 331 HA VAL 44 HA VAL 44 8.507 -9.047 4.605 332 HB VAL 44 HB VAL 44 8.789 -7.755 2.403 333 HG11 VAL 44 1HG1 VAL 44 7.328 -7.047 4.236 334 HG12 VAL 44 2HG1 VAL 44 8.151 -5.639 3.561 335 HG13 VAL 44 3HG1 VAL 44 8.713 -6.349 5.076 336 HG21 VAL 44 1HG2 VAL 44 11.170 -7.371 2.480 337 HG22 VAL 44 2HG2 VAL 44 11.010 -6.496 4.002 338 HG23 VAL 44 3HG2 VAL 44 10.311 -5.832 2.527 339 H THR 45 H THR 45 11.591 -9.301 2.944 340 HA THR 45 HA THR 45 10.611 -10.877 0.872 341 HB THR 45 HB THR 45 12.895 -11.566 0.522 342 HG1 THR 45 1HG THR 45 13.694 -9.673 2.506 343 HG21 THR 45 1HG2 THR 45 13.768 -9.286 -0.045 344 HG22 THR 45 2HG2 THR 45 12.431 -8.602 0.884 345 HG23 THR 45 3HG2 THR 45 12.108 -9.575 -0.554 346 H LYS 46 H LYS 46 11.978 -11.802 4.000 347 HA LYS 46 HA LYS 46 11.972 -14.579 3.545 348 HB2 LYS 46 2HB LYS 46 13.174 -13.632 5.456 349 HB3 LYS 46 1HB LYS 46 11.666 -13.074 6.156 350 HG2 LYS 46 2HG LYS 46 10.948 -15.362 6.516 351 HG3 LYS 46 1HG LYS 46 12.395 -15.961 5.709 352 HD2 LYS 46 2HD LYS 46 13.798 -15.023 7.444 353 HD3 LYS 46 1HD LYS 46 12.397 -14.289 8.222 354 HE2 LYS 46 2HE LYS 46 12.781 -17.255 7.817 355 HE3 LYS 46 1HE LYS 46 13.170 -16.395 9.302 356 HZ1 LYS 46 1HZ LYS 46 10.886 -15.830 9.591 357 HZ2 LYS 46 2HZ LYS 46 10.957 -17.494 9.322 358 HZ3 LYS 46 3HZ LYS 46 10.421 -16.476 8.112 359 H LYS 47 H LYS 47 9.515 -12.404 4.875 360 HA LYS 47 HA LYS 47 7.571 -14.386 5.313 361 HB2 LYS 47 2HB LYS 47 7.312 -11.431 4.810 362 HB3 LYS 47 1HB LYS 47 5.903 -12.441 5.045 363 HG2 LYS 47 2HG LYS 47 8.132 -11.976 7.033 364 HG3 LYS 47 1HG LYS 47 6.512 -11.288 7.089 365 HD2 LYS 47 2HD LYS 47 7.223 -14.224 7.345 366 HD3 LYS 47 1HD LYS 47 6.692 -13.154 8.633 367 HE2 LYS 47 2HE LYS 47 4.520 -12.888 7.540 368 HE3 LYS 47 1HE LYS 47 5.047 -13.921 6.216 369 HZ1 LYS 47 1HZ LYS 47 4.693 -14.717 9.045 370 HZ2 LYS 47 2HZ LYS 47 5.354 -15.721 7.864 371 HZ3 LYS 47 3HZ LYS 47 3.741 -15.192 7.730 372 H ALA 48 H ALA 48 8.390 -12.499 2.495 373 HA ALA 48 HA ALA 48 6.247 -13.289 0.850 374 HB1 ALA 48 1HB ALA 48 9.091 -12.550 0.086 375 HB2 ALA 48 2HB ALA 48 7.756 -11.424 0.284 376 HB3 ALA 48 3HB ALA 48 7.717 -12.615 -1.016 377 H GLU 49 H GLU 49 9.450 -14.714 1.283 378 HA GLU 49 HA GLU 49 8.911 -16.863 -0.474 379 HB2 GLU 49 2HB GLU 49 10.965 -16.580 1.700 380 HB3 GLU 49 1HB GLU 49 10.870 -17.950 0.586 381 HG2 GLU 49 2HG GLU 49 11.232 -15.085 -0.238 382 HG3 GLU 49 1HG GLU 49 12.529 -16.274 -0.108 383 H GLU 50 H GLU 50 8.342 -16.394 2.935 384 HA GLU 50 HA GLU 50 7.588 -19.051 3.570 385 HB2 GLU 50 2HB GLU 50 6.747 -16.391 4.706 386 HB3 GLU 50 1HB GLU 50 6.124 -17.910 5.314 387 HG2 GLU 50 2HG GLU 50 8.345 -18.585 5.978 388 HG3 GLU 50 1HG GLU 50 9.017 -17.108 5.280 389 H THR 51 H THR 51 5.973 -16.294 2.240 390 HA THR 51 HA THR 51 3.425 -17.302 2.206 391 HB THR 51 HB THR 51 4.735 -15.223 0.463 392 HG1 THR 51 1HG THR 51 4.711 -14.634 2.617 393 HG21 THR 51 1HG2 THR 51 1.804 -15.754 0.919 394 HG22 THR 51 2HG2 THR 51 2.679 -16.039 -0.586 395 HG23 THR 51 3HG2 THR 51 2.477 -14.396 0.022 396 H ILE 52 H ILE 52 5.985 -17.309 -0.210 397 HA ILE 52 HA ILE 52 4.634 -18.672 -2.279 398 HB ILE 52 HB ILE 52 7.613 -18.663 -1.690 399 HG12 ILE 52 2HG1 ILE 52 6.730 -16.376 -1.883 400 HG13 ILE 52 1HG1 ILE 52 7.754 -16.757 -3.261 401 HG21 ILE 52 1HG2 ILE 52 7.034 -20.400 -3.281 402 HG22 ILE 52 2HG2 ILE 52 7.900 -19.094 -4.096 403 HG23 ILE 52 3HG2 ILE 52 6.153 -19.231 -4.266 404 HD11 ILE 52 1HD1 ILE 52 5.720 -17.131 -4.584 405 HD12 ILE 52 2HD1 ILE 52 5.866 -15.501 -3.924 406 HD13 ILE 52 3HD1 ILE 52 4.755 -16.655 -3.173 407 H SER 53 H SER 53 6.743 -19.855 0.316 408 HA SER 53 HA SER 53 6.649 -22.584 -0.310 409 HB2 SER 53 2HB SER 53 8.237 -21.442 1.281 410 HB3 SER 53 1HB SER 53 6.918 -21.331 2.433 411 HG SER 53 HG SER 53 8.509 -23.425 1.776 412 H TRP 54 H TRP 54 4.532 -20.529 1.620 413 HA TRP 54 HA TRP 54 2.875 -22.524 2.687 414 HB2 TRP 54 2HB TRP 54 2.935 -20.143 3.487 415 HB3 TRP 54 1HB TRP 54 2.134 -19.660 2.005 416 HD1 TRP 54 HD TRP 54 1.461 -21.539 5.284 417 HE1 TRP 54 1HE TRP 54 -1.072 -21.683 5.645 418 HE3 TRP 54 3HE TRP 54 -0.083 -19.595 0.833 419 HZ2 TRP 54 2HZ TRP 54 -3.447 -21.052 4.200 420 HZ3 TRP 54 3HZ TRP 54 -2.494 -19.396 0.404 421 HH2 TRP 54 HH TRP 54 -4.131 -20.107 2.052 422 H LEU 55 H LEU 55 2.733 -20.662 -0.279 423 HA LEU 55 HA LEU 55 0.285 -21.650 -1.287 424 HB2 LEU 55 2HB LEU 55 2.711 -20.639 -2.742 425 HB3 LEU 55 1HB LEU 55 1.154 -20.921 -3.488 426 HG LEU 55 HG LEU 55 1.734 -18.904 -1.328 427 HD11 LEU 55 1HD1 LEU 55 1.156 -18.574 -4.270 428 HD12 LEU 55 2HD1 LEU 55 2.709 -18.303 -3.483 429 HD13 LEU 55 3HD1 LEU 55 1.333 -17.269 -3.100 430 HD21 LEU 55 1HD2 LEU 55 -0.540 -18.170 -1.679 431 HD22 LEU 55 2HD2 LEU 55 -0.539 -19.863 -1.230 432 HD23 LEU 55 3HD2 LEU 55 -0.770 -19.398 -2.917 433 H ASP 56 H ASP 56 3.502 -22.918 -1.352 434 HA ASP 56 HA ASP 56 3.055 -24.802 -3.427 435 HB2 ASP 56 2HB ASP 56 5.293 -23.958 -2.882 436 HB3 ASP 56 1HB ASP 56 5.185 -24.686 -1.289 437 H SER 57 H SER 57 2.679 -24.750 0.003 438 HA SER 57 HA SER 57 2.062 -27.579 -0.001 439 HB2 SER 57 2HB SER 57 3.551 -26.762 1.767 440 HB3 SER 57 1HB SER 57 2.289 -25.674 2.336 441 HG SER 57 HG SER 57 1.220 -28.084 2.250 442 H ASN 58 H ASN 58 0.424 -24.585 -0.098 443 HA ASN 58 HA ASN 58 -2.098 -25.869 0.713 444 HB2 ASN 58 2HB ASN 58 -1.134 -23.085 1.365 445 HB3 ASN 58 1HB ASN 58 -2.818 -23.559 1.512 446 HD21 ASN 58 1HD2 ASN 58 0.346 -23.840 2.815 447 HD22 ASN 58 2HD2 ASN 58 -0.101 -24.628 4.292 448 H THR 59 H THR 59 -1.130 -25.768 -1.883 449 HA THR 59 HA THR 59 -2.213 -23.590 -3.312 450 HB THR 59 HB THR 59 -0.400 -24.985 -4.224 451 HG1 THR 59 1HG THR 59 -1.007 -24.772 -6.194 452 HG21 THR 59 1HG2 THR 59 -1.040 -27.160 -3.406 453 HG22 THR 59 2HG2 THR 59 -0.912 -27.220 -5.167 454 HG23 THR 59 3HG2 THR 59 -2.495 -27.140 -4.398 455 H THR 60 H THR 60 -3.625 -26.517 -2.047 456 HA THR 60 HA THR 60 -6.011 -26.170 -3.669 457 HB THR 60 HB THR 60 -4.937 -28.468 -3.238 458 HG1 THR 60 1HG THR 60 -7.557 -28.720 -2.363 459 HG21 THR 60 1HG2 THR 60 -5.585 -29.569 -1.136 460 HG22 THR 60 2HG2 THR 60 -6.349 -28.044 -0.641 461 HG23 THR 60 3HG2 THR 60 -4.604 -28.115 -0.837 462 H ALA 61 H ALA 61 -5.007 -24.488 -1.211 463 HA ALA 61 HA ALA 61 -6.965 -24.815 0.807 464 HB1 ALA 61 1HB ALA 61 -5.219 -22.429 0.208 465 HB2 ALA 61 2HB ALA 61 -4.789 -23.801 1.232 466 HB3 ALA 61 3HB ALA 61 -6.094 -22.726 1.712 467 H SER 62 H SER 62 -8.407 -23.030 1.468 468 HA SER 62 HA SER 62 -10.243 -22.393 -0.659 469 HB2 SER 62 2HB SER 62 -11.057 -23.066 1.565 470 HB3 SER 62 1HB SER 62 -10.237 -21.694 2.299 471 HG SER 62 HG SER 62 -12.655 -21.767 1.461 472 H LYS 63 H LYS 63 -11.062 -20.079 -0.921 473 HA LYS 63 HA LYS 63 -8.834 -18.387 -1.490 474 HB2 LYS 63 2HB LYS 63 -10.317 -16.901 -2.495 475 HB3 LYS 63 1HB LYS 63 -11.209 -18.404 -2.624 476 HG2 LYS 63 2HG LYS 63 -12.540 -17.759 -0.664 477 HG3 LYS 63 1HG LYS 63 -11.640 -16.249 -0.569 478 HD2 LYS 63 2HD LYS 63 -12.378 -15.858 -2.986 479 HD3 LYS 63 1HD LYS 63 -13.532 -17.165 -2.716 480 HE2 LYS 63 2HE LYS 63 -13.338 -14.558 -1.210 481 HE3 LYS 63 1HE LYS 63 -14.606 -15.045 -2.323 482 HZ1 LYS 63 1HZ LYS 63 -15.172 -16.844 -0.729 483 HZ2 LYS 63 2HZ LYS 63 -15.381 -15.295 -0.134 484 HZ3 LYS 63 3HZ LYS 63 -14.049 -16.191 0.373 485 H GLU 64 H GLU 64 -10.918 -18.828 1.160 486 HA GLU 64 HA GLU 64 -10.595 -16.417 2.567 487 HB2 GLU 64 2HB GLU 64 -10.992 -19.196 3.681 488 HB3 GLU 64 1HB GLU 64 -11.383 -17.679 4.476 489 HG2 GLU 64 2HG GLU 64 -12.695 -18.666 1.951 490 HG3 GLU 64 1HG GLU 64 -13.350 -18.888 3.568 491 H GLU 65 H GLU 65 -8.694 -19.346 2.312 492 HA GLU 65 HA GLU 65 -6.965 -18.699 4.492 493 HB2 GLU 65 2HB GLU 65 -6.690 -20.733 2.297 494 HB3 GLU 65 1HB GLU 65 -5.641 -20.627 3.707 495 HG2 GLU 65 2HG GLU 65 -7.602 -21.000 5.147 496 HG3 GLU 65 1HG GLU 65 -8.587 -21.214 3.702 497 H PHE 66 H PHE 66 -6.815 -18.490 0.979 498 HA PHE 66 HA PHE 66 -4.189 -17.460 0.871 499 HB2 PHE 66 2HB PHE 66 -6.494 -17.075 -1.063 500 HB3 PHE 66 1HB PHE 66 -4.853 -16.545 -1.388 501 HD1 PHE 66 1HD PHE 66 -3.030 -18.361 -1.363 502 HD2 PHE 66 2HD PHE 66 -7.173 -19.223 -1.674 503 HE1 PHE 66 1HE PHE 66 -2.511 -20.568 -2.328 504 HE2 PHE 66 2HE PHE 66 -6.662 -21.406 -2.634 505 HZ PHE 66 HZ PHE 66 -4.327 -22.089 -2.964 506 H ASP 67 H ASP 67 -7.334 -15.983 1.297 507 HA ASP 67 HA ASP 67 -6.500 -13.277 1.218 508 HB2 ASP 67 2HB ASP 67 -8.850 -14.021 0.953 509 HB3 ASP 67 1HB ASP 67 -8.864 -14.516 2.639 510 H ASP 68 H ASP 68 -6.834 -15.643 3.795 511 HA ASP 68 HA ASP 68 -6.279 -13.980 5.995 512 HB2 ASP 68 2HB ASP 68 -7.209 -16.216 6.272 513 HB3 ASP 68 1HB ASP 68 -5.725 -16.905 5.610 514 H LYS 69 H LYS 69 -4.137 -16.036 4.073 515 HA LYS 69 HA LYS 69 -1.769 -15.228 5.364 516 HB2 LYS 69 2HB LYS 69 -1.841 -17.277 4.046 517 HB3 LYS 69 1HB LYS 69 -2.215 -16.368 2.596 518 HG2 LYS 69 2HG LYS 69 0.097 -17.127 2.598 519 HG3 LYS 69 1HG LYS 69 -0.006 -15.374 2.612 520 HD2 LYS 69 2HD LYS 69 1.783 -16.080 4.087 521 HD3 LYS 69 1HD LYS 69 0.478 -15.399 5.045 522 HE2 LYS 69 2HE LYS 69 0.569 -18.356 4.623 523 HE3 LYS 69 1HE LYS 69 1.701 -17.637 5.767 524 HZ1 LYS 69 1HZ LYS 69 -0.180 -16.772 7.010 525 HZ2 LYS 69 2HZ LYS 69 -0.308 -18.420 6.841 526 HZ3 LYS 69 3HZ LYS 69 -1.289 -17.435 5.931 527 H LEU 70 H LEU 70 -3.591 -13.849 2.710 528 HA LEU 70 HA LEU 70 -1.689 -11.888 2.003 529 HB2 LEU 70 2HB LEU 70 -3.703 -12.549 0.619 530 HB3 LEU 70 1HB LEU 70 -4.716 -11.733 1.773 531 HG LEU 70 HG LEU 70 -4.359 -10.510 -0.389 532 HD11 LEU 70 1HD1 LEU 70 -5.106 -9.268 1.526 533 HD12 LEU 70 2HD1 LEU 70 -3.993 -8.296 0.562 534 HD13 LEU 70 3HD1 LEU 70 -3.441 -9.043 2.062 535 HD21 LEU 70 1HD2 LEU 70 -2.244 -9.318 -0.756 536 HD22 LEU 70 2HD2 LEU 70 -2.021 -11.061 -0.791 537 HD23 LEU 70 3HD2 LEU 70 -1.542 -10.142 0.634 538 H LYS 71 H LYS 71 -4.345 -11.900 4.362 539 HA LYS 71 HA LYS 71 -4.004 -9.299 5.326 540 HB2 LYS 71 2HB LYS 71 -4.846 -11.761 6.859 541 HB3 LYS 71 1HB LYS 71 -4.891 -10.144 7.518 542 HG2 LYS 71 2HG LYS 71 -6.472 -9.598 5.585 543 HG3 LYS 71 1HG LYS 71 -6.609 -11.353 5.378 544 HD2 LYS 71 2HD LYS 71 -7.230 -11.547 7.772 545 HD3 LYS 71 1HD LYS 71 -7.159 -9.802 7.908 546 HE2 LYS 71 2HE LYS 71 -9.449 -10.388 7.682 547 HE3 LYS 71 1HE LYS 71 -8.949 -9.670 6.156 548 HZ1 LYS 71 1HZ LYS 71 -9.122 -12.593 6.657 549 HZ2 LYS 71 2HZ LYS 71 -8.891 -11.849 5.138 550 HZ3 LYS 71 3HZ LYS 71 -10.331 -11.685 5.953 551 H GLU 72 H GLU 72 -2.520 -12.317 6.384 552 HA GLU 72 HA GLU 72 -0.918 -11.396 8.464 553 HB2 GLU 72 2HB GLU 72 -1.294 -13.761 7.909 554 HB3 GLU 72 1HB GLU 72 -0.338 -13.571 6.448 555 HG2 GLU 72 2HG GLU 72 1.603 -12.967 7.911 556 HG3 GLU 72 1HG GLU 72 0.610 -13.418 9.294 557 H LEU 73 H LEU 73 -0.120 -11.855 5.058 558 HA LEU 73 HA LEU 73 2.523 -10.967 5.176 559 HB2 LEU 73 2HB LEU 73 1.449 -12.285 3.324 560 HB3 LEU 73 1HB LEU 73 0.604 -10.845 2.827 561 HG LEU 73 HG LEU 73 2.544 -11.514 1.392 562 HD11 LEU 73 1HD1 LEU 73 1.729 -9.233 1.310 563 HD12 LEU 73 2HD1 LEU 73 3.476 -9.296 1.085 564 HD13 LEU 73 3HD1 LEU 73 2.802 -8.789 2.637 565 HD21 LEU 73 1HD2 LEU 73 4.816 -11.038 2.158 566 HD22 LEU 73 2HD2 LEU 73 4.050 -12.297 3.130 567 HD23 LEU 73 3HD2 LEU 73 4.195 -10.657 3.763 568 H GLN 74 H GLN 74 -0.479 -9.215 4.571 569 HA GLN 74 HA GLN 74 0.769 -6.754 4.065 570 HB2 GLN 74 2HB GLN 74 -2.043 -7.459 4.767 571 HB3 GLN 74 1HB GLN 74 -1.530 -5.779 4.643 572 HG2 GLN 74 2HG GLN 74 -1.362 -7.859 2.475 573 HG3 GLN 74 1HG GLN 74 -2.513 -6.523 2.561 574 HE21 GLN 74 1HE2 GLN 74 0.750 -7.436 1.862 575 HE22 GLN 74 2HE2 GLN 74 1.260 -5.920 1.221 576 H ASP 75 H ASP 75 0.032 -8.278 7.152 577 HA ASP 75 HA ASP 75 -0.006 -5.764 8.518 578 HB2 ASP 75 2HB ASP 75 0.246 -8.576 9.582 579 HB3 ASP 75 1HB ASP 75 0.257 -7.154 10.615 580 H ILE 76 H ILE 76 2.336 -8.266 7.919 581 HA ILE 76 HA ILE 76 4.329 -6.901 9.354 582 HB ILE 76 HB ILE 76 4.537 -9.186 7.376 583 HG12 ILE 76 2HG1 ILE 76 5.281 -10.316 9.679 584 HG13 ILE 76 1HG1 ILE 76 4.441 -8.878 10.294 585 HG21 ILE 76 1HG2 ILE 76 6.630 -7.959 7.295 586 HG22 ILE 76 2HG2 ILE 76 6.863 -9.490 8.140 587 HG23 ILE 76 3HG2 ILE 76 6.738 -7.989 9.053 588 HD11 ILE 76 1HD1 ILE 76 3.047 -10.852 10.316 589 HD12 ILE 76 2HD1 ILE 76 3.149 -10.907 8.550 590 HD13 ILE 76 3HD1 ILE 76 2.433 -9.507 9.358 591 H ALA 77 H ALA 77 3.366 -7.009 5.983 592 HA ALA 77 HA ALA 77 5.671 -5.648 5.018 593 HB1 ALA 77 1HB ALA 77 3.058 -6.071 3.594 594 HB2 ALA 77 2HB ALA 77 4.400 -7.213 3.626 595 HB3 ALA 77 3HB ALA 77 4.604 -5.633 2.860 596 H ASN 78 H ASN 78 2.417 -4.523 5.920 597 HA ASN 78 HA ASN 78 2.335 -2.135 4.612 598 HB2 ASN 78 2HB ASN 78 0.397 -2.860 5.832 599 HB3 ASN 78 1HB ASN 78 1.212 -2.701 7.375 600 HD21 ASN 78 1HD2 ASN 78 -0.404 -1.030 4.798 601 HD22 ASN 78 2HD2 ASN 78 -0.521 0.493 5.594 602 HA PRO 79 HA PRO 79 4.627 0.412 8.072 603 HB2 PRO 79 2HB PRO 79 6.381 -1.687 9.230 604 HB3 PRO 79 1HB PRO 79 5.549 -0.356 10.042 605 HG2 PRO 79 2HG PRO 79 4.673 -2.833 10.336 606 HG3 PRO 79 1HG PRO 79 3.523 -1.499 10.110 607 HD2 PRO 79 2HD PRO 79 4.498 -3.507 8.112 608 HD3 PRO 79 1HD PRO 79 2.845 -2.928 8.416 609 H ILE 80 H ILE 80 6.317 -2.412 6.832 610 HA ILE 80 HA ILE 80 8.735 -1.058 6.275 611 HB ILE 80 HB ILE 80 7.692 -3.721 5.255 612 HG12 ILE 80 2HG1 ILE 80 9.630 -3.053 7.484 613 HG13 ILE 80 1HG1 ILE 80 7.934 -3.441 7.721 614 HG21 ILE 80 1HG2 ILE 80 10.081 -4.211 4.756 615 HG22 ILE 80 2HG2 ILE 80 10.473 -2.524 5.126 616 HG23 ILE 80 3HG2 ILE 80 9.430 -2.908 3.763 617 HD11 ILE 80 1HD1 ILE 80 8.308 -5.675 6.908 618 HD12 ILE 80 2HD1 ILE 80 9.436 -5.307 8.216 619 HD13 ILE 80 3HD1 ILE 80 9.992 -5.292 6.542 620 H MET 81 H MET 81 5.907 -1.834 4.337 621 HA MET 81 HA MET 81 6.845 -0.832 1.879 622 HB2 MET 81 2HB MET 81 4.038 -1.030 2.995 623 HB3 MET 81 1HB MET 81 4.372 -0.446 1.379 624 HG2 MET 81 2HG MET 81 5.412 -3.121 2.177 625 HG3 MET 81 1HG MET 81 3.696 -2.944 1.850 626 HE1 MET 81 1HE MET 81 6.751 -1.095 -0.110 627 HE2 MET 81 2HE MET 81 7.044 -2.337 -1.334 628 HE3 MET 81 3HE MET 81 7.331 -2.690 0.367 629 H SER 82 H SER 82 5.278 0.707 4.635 630 HA SER 82 HA SER 82 4.954 3.234 3.460 631 HB2 SER 82 2HB SER 82 3.743 2.428 5.493 632 HB3 SER 82 1HB SER 82 5.253 2.535 6.395 633 HG SER 82 HG SER 82 4.657 4.474 6.760 634 H LYS 83 H LYS 83 7.559 1.746 5.318 635 HA LYS 83 HA LYS 83 9.208 4.029 5.428 636 HB2 LYS 83 2HB LYS 83 10.010 1.102 5.485 637 HB3 LYS 83 1HB LYS 83 11.071 2.447 5.881 638 HG2 LYS 83 2HG LYS 83 9.624 3.032 7.762 639 HG3 LYS 83 1HG LYS 83 8.559 1.688 7.359 640 HD2 LYS 83 2HD LYS 83 9.999 1.026 9.176 641 HD3 LYS 83 1HD LYS 83 10.471 0.134 7.734 642 HE2 LYS 83 2HE LYS 83 12.360 1.626 7.397 643 HE3 LYS 83 1HE LYS 83 11.829 2.634 8.739 644 HZ1 LYS 83 1HZ LYS 83 12.766 -0.192 8.946 645 HZ2 LYS 83 2HZ LYS 83 12.211 0.735 10.225 646 HZ3 LYS 83 3HZ LYS 83 13.624 1.163 9.427 647 H LEU 84 H LEU 84 8.776 1.486 3.084 648 HA LEU 84 HA LEU 84 10.933 2.106 1.399 649 HB2 LEU 84 2HB LEU 84 9.670 -0.046 1.403 650 HB3 LEU 84 1HB LEU 84 8.295 0.780 0.729 651 HG LEU 84 HG LEU 84 9.541 -0.647 -0.888 652 HD11 LEU 84 1HD1 LEU 84 9.631 0.921 -2.753 653 HD12 LEU 84 2HD1 LEU 84 9.526 2.267 -1.619 654 HD13 LEU 84 3HD1 LEU 84 8.179 1.140 -1.773 655 HD21 LEU 84 1HD2 LEU 84 11.790 -0.303 -0.054 656 HD22 LEU 84 2HD2 LEU 84 11.736 1.389 -0.557 657 HD23 LEU 84 3HD2 LEU 84 11.688 0.108 -1.765 658 H TYR 85 H TYR 85 7.543 3.199 1.401 659 HA TYR 85 HA TYR 85 7.566 4.546 -1.035 660 HB2 TYR 85 2HB TYR 85 5.957 5.323 1.409 661 HB3 TYR 85 1HB TYR 85 5.670 5.910 -0.220 662 HD1 TYR 85 1HD TYR 85 5.918 3.390 -1.793 663 HD2 TYR 85 2HD TYR 85 4.048 4.148 1.948 664 HE1 TYR 85 1HE TYR 85 4.396 1.499 -2.176 665 HE2 TYR 85 2HE TYR 85 2.534 2.254 1.585 666 HH TYR 85 HH TYR 85 1.649 0.944 -0.197 667 H GLN 86 H GLN 86 8.519 5.724 2.125 668 HA GLN 86 HA GLN 86 8.972 8.377 1.126 669 HB2 GLN 86 2HB GLN 86 9.785 8.919 3.351 670 HB3 GLN 86 1HB GLN 86 8.256 8.048 3.425 671 HG2 GLN 86 2HG GLN 86 9.488 7.163 5.188 672 HG3 GLN 86 1HG GLN 86 9.711 5.984 3.899 673 HE21 GLN 86 1HE2 GLN 86 11.629 5.216 4.697 674 HE22 GLN 86 2HE2 GLN 86 13.102 6.114 4.731 675 H ALA 87 H ALA 87 10.769 5.552 1.414 676 HA ALA 87 HA ALA 87 13.357 6.791 1.315 677 HB1 ALA 87 1HB ALA 87 13.051 4.636 2.443 678 HB2 ALA 87 2HB ALA 87 14.254 4.530 1.154 679 HB3 ALA 87 3HB ALA 87 12.628 3.895 0.901 680 H GLY 88 H GLY 88 11.488 4.827 -0.979 681 HA2 GLY 88 2HA GLY 88 12.662 6.291 -3.161 682 HA3 GLY 88 1HA GLY 88 13.179 4.612 -3.033 683 H GLY 89 H GLY 89 10.099 6.138 -2.384 684 HA2 GLY 89 2HA GLY 89 8.981 4.434 -4.472 685 HA3 GLY 89 1HA GLY 89 8.197 4.698 -2.910 686 H ALA 90 H ALA 90 6.397 5.804 -3.564 687 HA ALA 90 HA ALA 90 6.960 8.409 -4.753 688 HB1 ALA 90 1HB ALA 90 5.739 6.997 -6.349 689 HB2 ALA 90 2HB ALA 90 4.733 8.339 -5.796 690 HB3 ALA 90 3HB ALA 90 4.480 6.719 -5.145 691 HA PRO 91 HA PRO 91 5.278 9.199 -0.610 692 HB2 PRO 91 2HB PRO 91 6.589 11.810 -0.984 693 HB3 PRO 91 1HB PRO 91 6.820 10.627 0.306 694 HG2 PRO 91 2HG PRO 91 8.701 11.076 -1.572 695 HG3 PRO 91 1HG PRO 91 8.444 9.475 -0.861 696 HD2 PRO 91 2HD PRO 91 7.529 10.540 -3.509 697 HD3 PRO 91 1HD PRO 91 8.190 8.941 -3.099 698 H GLY 92 H GLY 92 3.211 9.298 -1.385 699 HA2 GLY 92 2HA GLY 92 1.195 10.319 -1.805 700 HA3 GLY 92 1HA GLY 92 1.973 11.844 -1.408 701 H GLY 93 H GLY 93 2.641 9.532 -4.005 702 HA2 GLY 93 2HA GLY 93 2.217 9.716 -6.275 703 HA3 GLY 93 1HA GLY 93 1.514 11.296 -5.990 704 H ALA 94 H ALA 94 3.595 12.606 -4.802 705 HA ALA 94 HA ALA 94 5.106 13.265 -7.140 706 HB1 ALA 94 1HB ALA 94 4.269 14.991 -5.609 707 HB2 ALA 94 2HB ALA 94 6.009 15.099 -5.862 708 HB3 ALA 94 3HB ALA 94 5.380 14.405 -4.370 709 H ALA 95 H ALA 95 6.780 12.193 -7.751 710 HA ALA 95 HA ALA 95 8.871 11.532 -5.823 711 HB1 ALA 95 1HB ALA 95 7.919 9.784 -8.103 712 HB2 ALA 95 2HB ALA 95 7.679 9.456 -6.388 713 HB3 ALA 95 3HB ALA 95 9.307 9.450 -7.067 714 H GLY 96 H GLY 96 10.982 11.682 -6.754 715 HA2 GLY 96 2HA GLY 96 11.015 13.054 -9.345 716 HA3 GLY 96 1HA GLY 96 11.971 13.619 -7.981 717 H GLY 97 H GLY 97 13.039 12.943 -10.456 718 HA2 GLY 97 2HA GLY 97 14.184 10.279 -10.219 719 HA3 GLY 97 1HA GLY 97 14.386 11.402 -11.559 720 H ALA 98 H ALA 98 14.860 13.136 -8.852 721 HA ALA 98 HA ALA 98 17.723 13.119 -9.129 722 HB1 ALA 98 1HB ALA 98 17.629 14.912 -7.419 723 HB2 ALA 98 2HB ALA 98 15.895 14.641 -7.263 724 HB3 ALA 98 3HB ALA 98 16.562 15.233 -8.785 725 HA PRO 99 HA PRO 99 17.868 9.893 -5.954 726 HB2 PRO 99 2HB PRO 99 20.785 10.153 -6.239 727 HB3 PRO 99 1HB PRO 99 19.768 8.738 -6.517 728 HG2 PRO 99 2HG PRO 99 20.941 10.068 -8.539 729 HG3 PRO 99 1HG PRO 99 19.347 9.309 -8.702 730 HD2 PRO 99 2HD PRO 99 20.039 12.192 -8.275 731 HD3 PRO 99 1HD PRO 99 18.806 11.461 -9.333 732 H GLY 100 H GLY 100 20.074 12.645 -6.064 733 HA2 GLY 100 2HA GLY 100 20.163 12.657 -3.163 734 HA3 GLY 100 1HA GLY 100 21.223 13.578 -4.231 735 H GLY 101 H GLY 101 18.899 13.903 -2.067 736 HA2 GLY 101 2HA GLY 101 18.182 16.508 -3.031 737 HA3 GLY 101 1HA GLY 101 16.848 15.371 -2.821 Start of MODEL 17 1 H1 SER 1 1HT SER 1 -21.826 -27.853 -13.541 2 H2 SER 1 2HT SER 1 -20.388 -26.973 -13.502 3 H3 SER 1 3HT SER 1 -21.714 -26.361 -14.333 4 HA SER 1 HA SER 1 -22.919 -26.131 -12.283 5 HB2 SER 1 2HB SER 1 -21.815 -28.026 -11.095 6 HB3 SER 1 1HB SER 1 -20.318 -27.106 -11.048 7 HG SER 1 HG SER 1 -21.290 -26.812 -9.103 8 H LYS 2 H LYS 2 -23.021 -23.924 -12.174 9 HA LYS 2 HA LYS 2 -20.676 -22.384 -12.727 10 HB2 LYS 2 2HB LYS 2 -21.958 -20.396 -12.400 11 HB3 LYS 2 1HB LYS 2 -22.998 -21.543 -13.238 12 HG2 LYS 2 2HG LYS 2 -24.309 -21.888 -11.313 13 HG3 LYS 2 1HG LYS 2 -23.107 -21.125 -10.260 14 HD2 LYS 2 2HD LYS 2 -23.508 -18.995 -11.492 15 HD3 LYS 2 1HD LYS 2 -24.818 -19.795 -12.354 16 HE2 LYS 2 2HE LYS 2 -25.635 -18.456 -10.449 17 HE3 LYS 2 1HE LYS 2 -25.999 -20.170 -10.264 18 HZ1 LYS 2 1HZ LYS 2 -24.315 -20.415 -8.682 19 HZ2 LYS 2 2HZ LYS 2 -25.064 -18.971 -8.225 20 HZ3 LYS 2 3HZ LYS 2 -23.584 -18.969 -9.030 21 H GLU 3 H GLU 3 -22.216 -23.604 -9.964 22 HA GLU 3 HA GLU 3 -21.485 -21.916 -7.882 23 HB2 GLU 3 2HB GLU 3 -23.049 -23.882 -7.867 24 HB3 GLU 3 1HB GLU 3 -21.639 -24.923 -7.782 25 HG2 GLU 3 2HG GLU 3 -22.542 -24.698 -5.621 26 HG3 GLU 3 1HG GLU 3 -21.032 -23.781 -5.685 27 H GLU 4 H GLU 4 -19.858 -24.883 -8.963 28 HA GLU 4 HA GLU 4 -17.624 -24.555 -7.325 29 HB2 GLU 4 2HB GLU 4 -18.246 -26.328 -9.633 30 HB3 GLU 4 1HB GLU 4 -16.596 -26.242 -9.034 31 HG2 GLU 4 2HG GLU 4 -17.885 -28.112 -8.073 32 HG3 GLU 4 1HG GLU 4 -17.276 -26.977 -6.868 33 H ASP 5 H ASP 5 -18.290 -23.435 -10.557 34 HA ASP 5 HA ASP 5 -15.584 -22.756 -11.157 35 HB2 ASP 5 2HB ASP 5 -17.219 -23.018 -12.971 36 HB3 ASP 5 1HB ASP 5 -18.132 -21.644 -12.353 37 H GLU 6 H GLU 6 -18.321 -20.950 -9.914 38 HA GLU 6 HA GLU 6 -17.083 -18.453 -9.707 39 HB2 GLU 6 2HB GLU 6 -19.255 -19.666 -8.020 40 HB3 GLU 6 1HB GLU 6 -18.796 -17.971 -7.960 41 HG2 GLU 6 2HG GLU 6 -19.473 -17.711 -10.290 42 HG3 GLU 6 1HG GLU 6 -19.905 -19.419 -10.359 43 H LYS 7 H LYS 7 -17.423 -21.007 -7.263 44 HA LYS 7 HA LYS 7 -15.993 -19.583 -5.284 45 HB2 LYS 7 2HB LYS 7 -15.902 -21.657 -4.020 46 HB3 LYS 7 1HB LYS 7 -17.507 -21.411 -4.699 47 HG2 LYS 7 2HG LYS 7 -16.926 -22.965 -6.505 48 HG3 LYS 7 1HG LYS 7 -15.378 -23.262 -5.725 49 HD2 LYS 7 2HD LYS 7 -16.973 -25.038 -5.186 50 HD3 LYS 7 1HD LYS 7 -16.531 -24.125 -3.745 51 HE2 LYS 7 2HE LYS 7 -18.592 -22.923 -3.781 52 HE3 LYS 7 1HE LYS 7 -19.000 -23.570 -5.373 53 HZ1 LYS 7 1HZ LYS 7 -20.159 -24.647 -3.491 54 HZ2 LYS 7 2HZ LYS 7 -18.659 -25.263 -2.971 55 HZ3 LYS 7 3HZ LYS 7 -19.289 -25.684 -4.485 56 H GLU 8 H GLU 8 -14.907 -21.905 -7.734 57 HA GLU 8 HA GLU 8 -12.355 -21.804 -6.559 58 HB2 GLU 8 2HB GLU 8 -13.285 -23.263 -8.984 59 HB3 GLU 8 1HB GLU 8 -11.584 -23.193 -8.515 60 HG2 GLU 8 2HG GLU 8 -13.865 -24.303 -6.904 61 HG3 GLU 8 1HG GLU 8 -12.489 -25.172 -7.593 62 H SER 9 H SER 9 -13.774 -20.117 -9.213 63 HA SER 9 HA SER 9 -11.342 -19.042 -10.089 64 HB2 SER 9 2HB SER 9 -12.769 -17.104 -10.954 65 HB3 SER 9 1HB SER 9 -13.222 -18.707 -11.523 66 HG SER 9 HG SER 9 -14.864 -18.753 -10.057 67 H GLN 10 H GLN 10 -13.403 -18.260 -7.408 68 HA GLN 10 HA GLN 10 -12.127 -15.897 -6.562 69 HB2 GLN 10 2HB GLN 10 -13.465 -18.056 -4.927 70 HB3 GLN 10 1HB GLN 10 -13.002 -16.476 -4.311 71 HG2 GLN 10 2HG GLN 10 -14.585 -15.410 -5.780 72 HG3 GLN 10 1HG GLN 10 -14.972 -16.957 -6.528 73 HE21 GLN 10 1HE2 GLN 10 -17.122 -16.824 -5.958 74 HE22 GLN 10 2HE2 GLN 10 -17.680 -17.049 -4.348 75 H ARG 11 H ARG 11 -11.527 -19.329 -5.799 76 HA ARG 11 HA ARG 11 -9.295 -18.809 -4.125 77 HB2 ARG 11 2HB ARG 11 -10.430 -20.975 -3.928 78 HB3 ARG 11 1HB ARG 11 -10.061 -21.358 -5.598 79 HG2 ARG 11 2HG ARG 11 -7.672 -21.486 -5.065 80 HG3 ARG 11 1HG ARG 11 -8.011 -21.043 -3.398 81 HD2 ARG 11 2HD ARG 11 -9.308 -23.472 -4.614 82 HD3 ARG 11 1HD ARG 11 -7.642 -23.534 -4.036 83 HE ARG 11 HE ARG 11 -8.568 -22.817 -1.850 84 HH11 ARG 11 1HH1 ARG 11 -10.780 -24.508 -4.081 85 HH12 ARG 11 2HH1 ARG 11 -11.582 -25.358 -2.865 86 HH21 ARG 11 1HH2 ARG 11 -9.647 -24.010 -0.209 87 HH22 ARG 11 2HH2 ARG 11 -10.930 -25.063 -0.558 88 H ILE 12 H ILE 12 -9.565 -19.440 -7.568 89 HA ILE 12 HA ILE 12 -6.832 -19.495 -8.163 90 HB ILE 12 HB ILE 12 -9.122 -18.500 -9.894 91 HG12 ILE 12 2HG1 ILE 12 -9.411 -20.845 -9.279 92 HG13 ILE 12 1HG1 ILE 12 -9.018 -20.711 -10.986 93 HG21 ILE 12 1HG2 ILE 12 -6.329 -19.240 -10.754 94 HG22 ILE 12 2HG2 ILE 12 -7.024 -17.620 -10.746 95 HG23 ILE 12 3HG2 ILE 12 -7.669 -18.854 -11.834 96 HD11 ILE 12 1HD1 ILE 12 -7.891 -22.592 -9.955 97 HD12 ILE 12 2HD1 ILE 12 -7.131 -21.525 -8.781 98 HD13 ILE 12 3HD1 ILE 12 -6.716 -21.389 -10.493 99 H ALA 13 H ALA 13 -9.127 -16.783 -8.124 100 HA ALA 13 HA ALA 13 -7.344 -14.745 -8.773 101 HB1 ALA 13 1HB ALA 13 -9.779 -14.480 -8.829 102 HB2 ALA 13 2HB ALA 13 -9.016 -13.231 -7.842 103 HB3 ALA 13 3HB ALA 13 -9.826 -14.590 -7.067 104 H SER 14 H SER 14 -8.393 -15.935 -5.579 105 HA SER 14 HA SER 14 -6.916 -14.188 -4.003 106 HB2 SER 14 2HB SER 14 -7.595 -17.089 -3.423 107 HB3 SER 14 1HB SER 14 -7.076 -15.902 -2.233 108 HG SER 14 HG SER 14 -9.262 -15.133 -3.765 109 H LYS 15 H LYS 15 -5.967 -17.323 -5.383 110 HA LYS 15 HA LYS 15 -3.364 -17.395 -4.299 111 HB2 LYS 15 2HB LYS 15 -4.466 -18.661 -6.803 112 HB3 LYS 15 1HB LYS 15 -2.837 -18.931 -6.210 113 HG2 LYS 15 2HG LYS 15 -3.714 -19.920 -4.187 114 HG3 LYS 15 1HG LYS 15 -5.359 -19.584 -4.718 115 HD2 LYS 15 2HD LYS 15 -4.883 -21.912 -5.132 116 HD3 LYS 15 1HD LYS 15 -4.983 -21.087 -6.675 117 HE2 LYS 15 2HE LYS 15 -2.349 -21.649 -5.296 118 HE3 LYS 15 1HE LYS 15 -3.115 -22.816 -6.357 119 HZ1 LYS 15 1HZ LYS 15 -2.128 -20.096 -7.205 120 HZ2 LYS 15 2HZ LYS 15 -2.925 -21.194 -8.180 121 HZ3 LYS 15 3HZ LYS 15 -1.440 -21.592 -7.535 122 H ASN 16 H ASN 16 -4.536 -16.315 -7.464 123 HA ASN 16 HA ASN 16 -2.031 -15.661 -8.544 124 HB2 ASN 16 2HB ASN 16 -4.171 -15.970 -9.838 125 HB3 ASN 16 1HB ASN 16 -4.699 -14.402 -9.255 126 HD21 ASN 16 1HD2 ASN 16 -4.237 -15.359 -11.997 127 HD22 ASN 16 2HD2 ASN 16 -3.104 -14.251 -12.676 128 H GLN 17 H GLN 17 -4.395 -13.643 -6.818 129 HA GLN 17 HA GLN 17 -2.967 -11.232 -7.081 130 HB2 GLN 17 2HB GLN 17 -5.352 -11.309 -6.420 131 HB3 GLN 17 1HB GLN 17 -4.899 -12.044 -4.891 132 HG2 GLN 17 2HG GLN 17 -5.355 -9.682 -4.591 133 HG3 GLN 17 1HG GLN 17 -3.648 -10.018 -4.291 134 HE21 GLN 17 1HE2 GLN 17 -2.117 -9.313 -5.808 135 HE22 GLN 17 2HE2 GLN 17 -2.475 -8.113 -6.990 136 H LEU 18 H LEU 18 -3.029 -13.655 -4.514 137 HA LEU 18 HA LEU 18 -1.261 -12.446 -2.721 138 HB2 LEU 18 2HB LEU 18 -2.729 -14.363 -2.201 139 HB3 LEU 18 1HB LEU 18 -1.823 -15.371 -3.294 140 HG LEU 18 HG LEU 18 -1.471 -15.815 -0.855 141 HD11 LEU 18 1HD1 LEU 18 0.930 -16.112 -0.964 142 HD12 LEU 18 2HD1 LEU 18 1.009 -15.042 -2.363 143 HD13 LEU 18 3HD1 LEU 18 0.163 -16.583 -2.479 144 HD21 LEU 18 1HD2 LEU 18 -1.516 -13.525 -0.065 145 HD22 LEU 18 2HD2 LEU 18 -0.013 -13.189 -0.924 146 HD23 LEU 18 3HD2 LEU 18 -0.026 -14.327 0.418 147 H GLU 19 H GLU 19 -0.714 -14.693 -5.344 148 HA GLU 19 HA GLU 19 2.025 -15.099 -5.143 149 HB2 GLU 19 2HB GLU 19 0.436 -16.436 -6.428 150 HB3 GLU 19 1HB GLU 19 0.181 -15.095 -7.520 151 HG2 GLU 19 2HG GLU 19 2.491 -15.259 -8.234 152 HG3 GLU 19 1HG GLU 19 2.720 -16.647 -7.162 153 H SER 20 H SER 20 0.171 -12.802 -7.127 154 HA SER 20 HA SER 20 2.347 -11.564 -8.358 155 HB2 SER 20 2HB SER 20 0.033 -11.409 -9.189 156 HB3 SER 20 1HB SER 20 -0.409 -10.444 -7.788 157 HG SER 20 HG SER 20 1.587 -9.733 -9.666 158 H ILE 21 H ILE 21 0.629 -10.785 -5.306 159 HA ILE 21 HA ILE 21 2.033 -8.416 -4.817 160 HB ILE 21 HB ILE 21 0.661 -10.336 -2.914 161 HG12 ILE 21 2HG1 ILE 21 -0.867 -9.230 -4.465 162 HG13 ILE 21 1HG1 ILE 21 -1.128 -8.642 -2.831 163 HG21 ILE 21 1HG2 ILE 21 2.348 -9.142 -1.699 164 HG22 ILE 21 2HG2 ILE 21 0.742 -8.556 -1.226 165 HG23 ILE 21 3HG2 ILE 21 1.756 -7.602 -2.323 166 HD11 ILE 21 1HD1 ILE 21 -1.261 -6.829 -4.423 167 HD12 ILE 21 2HD1 ILE 21 0.341 -7.209 -5.040 168 HD13 ILE 21 3HD1 ILE 21 0.152 -6.612 -3.390 169 H ALA 22 H ALA 22 2.640 -11.781 -3.933 170 HA ALA 22 HA ALA 22 4.871 -11.383 -2.310 171 HB1 ALA 22 1HB ALA 22 4.314 -13.713 -4.142 172 HB2 ALA 22 2HB ALA 22 3.688 -13.522 -2.504 173 HB3 ALA 22 3HB ALA 22 5.419 -13.712 -2.766 174 H TYR 23 H TYR 23 4.690 -11.849 -5.823 175 HA TYR 23 HA TYR 23 7.484 -11.678 -6.269 176 HB2 TYR 23 2HB TYR 23 5.177 -11.115 -8.123 177 HB3 TYR 23 1HB TYR 23 6.853 -11.016 -8.626 178 HD1 TYR 23 1HD TYR 23 4.108 -12.981 -8.880 179 HD2 TYR 23 2HD TYR 23 8.188 -13.291 -7.738 180 HE1 TYR 23 1HE TYR 23 4.089 -15.368 -9.456 181 HE2 TYR 23 2HE TYR 23 8.167 -15.680 -8.304 182 HH TYR 23 HH TYR 23 6.674 -17.462 -8.605 183 H SER 24 H SER 24 4.919 -9.254 -6.482 184 HA SER 24 HA SER 24 6.554 -7.142 -7.309 185 HB2 SER 24 2HB SER 24 3.953 -7.026 -5.767 186 HB3 SER 24 1HB SER 24 4.672 -5.706 -6.695 187 HG SER 24 HG SER 24 3.525 -8.119 -7.596 188 H LEU 25 H LEU 25 5.747 -8.360 -4.122 189 HA LEU 25 HA LEU 25 6.696 -6.252 -2.551 190 HB2 LEU 25 2HB LEU 25 5.362 -8.476 -2.008 191 HB3 LEU 25 1HB LEU 25 6.959 -9.127 -1.739 192 HG LEU 25 HG LEU 25 5.897 -8.508 0.362 193 HD11 LEU 25 1HD1 LEU 25 8.273 -8.339 0.346 194 HD12 LEU 25 2HD1 LEU 25 7.573 -7.024 1.307 195 HD13 LEU 25 3HD1 LEU 25 8.185 -6.703 -0.314 196 HD21 LEU 25 1HD2 LEU 25 5.793 -5.698 -0.726 197 HD22 LEU 25 2HD2 LEU 25 5.374 -6.192 0.913 198 HD23 LEU 25 3HD2 LEU 25 4.417 -6.764 -0.452 199 H LYS 26 H LYS 26 8.279 -9.292 -3.575 200 HA LYS 26 HA LYS 26 10.799 -8.720 -2.460 201 HB2 LYS 26 2HB LYS 26 10.187 -10.428 -4.875 202 HB3 LYS 26 1HB LYS 26 11.688 -10.445 -3.979 203 HG2 LYS 26 2HG LYS 26 10.485 -11.371 -2.010 204 HG3 LYS 26 1HG LYS 26 8.985 -11.332 -2.930 205 HD2 LYS 26 2HD LYS 26 10.161 -12.735 -4.680 206 HD3 LYS 26 1HD LYS 26 11.464 -12.935 -3.516 207 HE2 LYS 26 2HE LYS 26 9.783 -13.884 -1.930 208 HE3 LYS 26 1HE LYS 26 8.603 -13.831 -3.243 209 HZ1 LYS 26 1HZ LYS 26 9.564 -16.024 -3.227 210 HZ2 LYS 26 2HZ LYS 26 11.088 -15.365 -3.050 211 HZ3 LYS 26 3HZ LYS 26 10.300 -15.210 -4.532 212 H ASN 27 H ASN 27 9.512 -8.211 -5.712 213 HA ASN 27 HA ASN 27 11.745 -7.144 -7.002 214 HB2 ASN 27 2HB ASN 27 9.710 -7.790 -8.180 215 HB3 ASN 27 1HB ASN 27 8.810 -6.509 -7.393 216 HD21 ASN 27 1HD2 ASN 27 8.185 -5.692 -9.373 217 HD22 ASN 27 2HD2 ASN 27 9.250 -4.805 -10.396 218 H THR 28 H THR 28 9.393 -5.551 -4.956 219 HA THR 28 HA THR 28 10.372 -2.937 -5.373 220 HB THR 28 HB THR 28 8.726 -4.032 -3.080 221 HG1 THR 28 1HG THR 28 7.595 -4.317 -4.971 222 HG21 THR 28 1HG2 THR 28 7.984 -1.703 -2.775 223 HG22 THR 28 2HG2 THR 28 9.059 -1.184 -4.072 224 HG23 THR 28 3HG2 THR 28 9.731 -1.830 -2.574 225 H ILE 29 H ILE 29 11.166 -5.493 -3.072 226 HA ILE 29 HA ILE 29 12.846 -3.735 -1.559 227 HB ILE 29 HB ILE 29 13.042 -6.776 -1.401 228 HG12 ILE 29 2HG1 ILE 29 10.654 -6.196 -1.206 229 HG13 ILE 29 1HG1 ILE 29 11.308 -6.700 0.343 230 HG21 ILE 29 1HG2 ILE 29 13.606 -6.286 0.900 231 HG22 ILE 29 2HG2 ILE 29 13.522 -4.555 0.538 232 HG23 ILE 29 3HG2 ILE 29 14.736 -5.562 -0.255 233 HD11 ILE 29 1HD1 ILE 29 10.771 -3.864 -0.529 234 HD12 ILE 29 2HD1 ILE 29 11.446 -4.350 1.029 235 HD13 ILE 29 3HD1 ILE 29 9.800 -4.815 0.594 236 H SER 30 H SER 30 13.241 -5.831 -4.305 237 HA SER 30 HA SER 30 16.056 -5.763 -4.423 238 HB2 SER 30 2HB SER 30 14.045 -5.987 -6.684 239 HB3 SER 30 1HB SER 30 15.738 -6.476 -6.748 240 HG SER 30 HG SER 30 15.312 -8.211 -5.582 241 H GLU 31 H GLU 31 13.500 -3.538 -5.414 242 HA GLU 31 HA GLU 31 15.021 -1.662 -6.835 243 HB2 GLU 31 2HB GLU 31 12.709 -1.623 -7.173 244 HB3 GLU 31 1HB GLU 31 12.366 -1.897 -5.482 245 HG2 GLU 31 2HG GLU 31 11.608 0.239 -6.050 246 HG3 GLU 31 1HG GLU 31 13.040 0.376 -5.025 247 H ALA 32 H ALA 32 14.184 -2.237 -3.502 248 HA ALA 32 HA ALA 32 15.090 0.139 -2.375 249 HB1 ALA 32 1HB ALA 32 15.104 -1.025 -0.253 250 HB2 ALA 32 2HB ALA 32 15.035 -2.574 -1.087 251 HB3 ALA 32 3HB ALA 32 13.668 -1.464 -1.184 252 H GLY 33 H GLY 33 16.725 -3.030 -2.471 253 HA2 GLY 33 2HA GLY 33 18.970 -3.552 -2.394 254 HA3 GLY 33 1HA GLY 33 19.281 -1.944 -3.044 255 H ASP 34 H ASP 34 19.915 -0.329 -1.711 256 HA ASP 34 HA ASP 34 20.556 -1.088 1.044 257 HB2 ASP 34 2HB ASP 34 21.579 1.229 -0.623 258 HB3 ASP 34 1HB ASP 34 21.985 0.975 1.066 259 H LYS 35 H LYS 35 18.252 0.618 -0.675 260 HA LYS 35 HA LYS 35 17.737 2.855 0.977 261 HB2 LYS 35 2HB LYS 35 15.769 1.262 -0.687 262 HB3 LYS 35 1HB LYS 35 15.466 2.851 -0.018 263 HG2 LYS 35 2HG LYS 35 17.128 3.838 -1.457 264 HG3 LYS 35 1HG LYS 35 17.616 2.245 -2.046 265 HD2 LYS 35 2HD LYS 35 15.348 1.924 -2.988 266 HD3 LYS 35 1HD LYS 35 14.906 3.534 -2.423 267 HE2 LYS 35 2HE LYS 35 16.615 4.485 -3.904 268 HE3 LYS 35 1HE LYS 35 17.036 2.859 -4.448 269 HZ1 LYS 35 1HZ LYS 35 14.327 4.050 -4.762 270 HZ2 LYS 35 2HZ LYS 35 14.894 2.630 -5.520 271 HZ3 LYS 35 3HZ LYS 35 15.506 4.108 -5.934 272 H LEU 36 H LEU 36 16.785 -0.509 1.211 273 HA LEU 36 HA LEU 36 15.265 0.154 3.631 274 HB2 LEU 36 2HB LEU 36 14.036 -1.029 1.803 275 HB3 LEU 36 1HB LEU 36 15.140 -2.376 1.984 276 HG LEU 36 HG LEU 36 14.346 -2.648 4.325 277 HD11 LEU 36 1HD1 LEU 36 13.574 -0.388 4.731 278 HD12 LEU 36 2HD1 LEU 36 12.264 -1.538 4.975 279 HD13 LEU 36 3HD1 LEU 36 12.325 -0.576 3.500 280 HD21 LEU 36 1HD2 LEU 36 13.434 -4.016 2.553 281 HD22 LEU 36 2HD2 LEU 36 12.248 -2.765 2.173 282 HD23 LEU 36 3HD2 LEU 36 12.173 -3.614 3.717 283 H GLU 37 H GLU 37 15.780 -0.882 5.511 284 HA GLU 37 HA GLU 37 18.474 -1.665 5.880 285 HB2 GLU 37 2HB GLU 37 16.100 -1.847 7.737 286 HB3 GLU 37 1HB GLU 37 17.795 -1.948 8.200 287 HG2 GLU 37 2HG GLU 37 18.162 0.337 7.505 288 HG3 GLU 37 1HG GLU 37 16.509 0.450 6.919 289 H GLN 38 H GLN 38 19.255 -3.694 6.614 290 HA GLN 38 HA GLN 38 18.402 -5.903 5.172 291 HB2 GLN 38 2HB GLN 38 20.701 -5.680 5.982 292 HB3 GLN 38 1HB GLN 38 20.146 -5.820 7.632 293 HG2 GLN 38 2HG GLN 38 21.177 -7.880 6.836 294 HG3 GLN 38 1HG GLN 38 19.492 -8.115 7.276 295 HE21 GLN 38 1HE2 GLN 38 18.012 -8.595 5.668 296 HE22 GLN 38 2HE2 GLN 38 18.476 -9.106 4.092 297 H ALA 39 H ALA 39 17.828 -5.173 8.573 298 HA ALA 39 HA ALA 39 16.580 -7.624 9.185 299 HB1 ALA 39 1HB ALA 39 15.726 -6.522 11.195 300 HB2 ALA 39 2HB ALA 39 16.134 -4.949 10.507 301 HB3 ALA 39 3HB ALA 39 17.412 -6.091 10.913 302 H ASP 40 H ASP 40 15.217 -4.585 8.048 303 HA ASP 40 HA ASP 40 12.516 -5.493 8.083 304 HB2 ASP 40 2HB ASP 40 13.796 -3.321 6.398 305 HB3 ASP 40 1HB ASP 40 12.071 -3.611 6.531 306 H LYS 41 H LYS 41 14.992 -5.231 5.598 307 HA LYS 41 HA LYS 41 13.684 -6.179 3.363 308 HB2 LYS 41 2HB LYS 41 15.934 -5.270 3.289 309 HB3 LYS 41 1HB LYS 41 16.546 -6.637 4.204 310 HG2 LYS 41 2HG LYS 41 15.881 -8.122 2.304 311 HG3 LYS 41 1HG LYS 41 15.466 -6.699 1.375 312 HD2 LYS 41 2HD LYS 41 18.185 -7.312 2.523 313 HD3 LYS 41 1HD LYS 41 17.712 -7.514 0.838 314 HE2 LYS 41 2HE LYS 41 17.312 -5.085 0.685 315 HE3 LYS 41 1HE LYS 41 17.809 -4.907 2.364 316 HZ1 LYS 41 1HZ LYS 41 19.993 -5.729 1.776 317 HZ2 LYS 41 2HZ LYS 41 19.619 -4.384 0.834 318 HZ3 LYS 41 3HZ LYS 41 19.526 -5.934 0.179 319 H ASP 42 H ASP 42 15.390 -8.045 5.853 320 HA ASP 42 HA ASP 42 15.020 -10.587 4.671 321 HB2 ASP 42 2HB ASP 42 16.678 -10.222 6.420 322 HB3 ASP 42 1HB ASP 42 15.411 -9.807 7.565 323 H THR 43 H THR 43 13.173 -8.838 7.113 324 HA THR 43 HA THR 43 11.345 -10.884 7.547 325 HB THR 43 HB THR 43 11.019 -7.898 7.927 326 HG1 THR 43 1HG THR 43 12.605 -8.379 9.300 327 HG21 THR 43 1HG2 THR 43 9.551 -10.229 9.199 328 HG22 THR 43 2HG2 THR 43 8.864 -9.106 8.023 329 HG23 THR 43 3HG2 THR 43 9.343 -8.530 9.623 330 H VAL 44 H VAL 44 11.191 -8.152 5.258 331 HA VAL 44 HA VAL 44 8.588 -8.919 4.396 332 HB VAL 44 HB VAL 44 9.153 -7.535 2.331 333 HG11 VAL 44 1HG1 VAL 44 8.959 -6.315 5.106 334 HG12 VAL 44 2HG1 VAL 44 7.598 -6.811 4.098 335 HG13 VAL 44 3HG1 VAL 44 8.596 -5.435 3.624 336 HG21 VAL 44 1HG2 VAL 44 11.318 -6.581 4.183 337 HG22 VAL 44 2HG2 VAL 44 10.798 -5.743 2.721 338 HG23 VAL 44 3HG2 VAL 44 11.520 -7.347 2.608 339 H THR 45 H THR 45 11.732 -9.359 2.830 340 HA THR 45 HA THR 45 10.633 -10.639 0.602 341 HB THR 45 HB THR 45 12.868 -11.461 0.158 342 HG1 THR 45 1HG THR 45 13.727 -10.010 2.472 343 HG21 THR 45 1HG2 THR 45 12.727 -8.552 0.935 344 HG22 THR 45 2HG2 THR 45 12.239 -9.245 -0.612 345 HG23 THR 45 3HG2 THR 45 13.939 -9.243 -0.140 346 H LYS 46 H LYS 46 11.899 -11.889 3.590 347 HA LYS 46 HA LYS 46 11.624 -14.619 2.886 348 HB2 LYS 46 2HB LYS 46 13.032 -13.901 4.801 349 HB3 LYS 46 1HB LYS 46 11.574 -13.497 5.697 350 HG2 LYS 46 2HG LYS 46 10.863 -15.796 5.639 351 HG3 LYS 46 1HG LYS 46 12.284 -16.236 4.687 352 HD2 LYS 46 2HD LYS 46 13.698 -15.489 6.576 353 HD3 LYS 46 1HD LYS 46 12.231 -15.185 7.512 354 HE2 LYS 46 2HE LYS 46 13.024 -17.850 6.340 355 HE3 LYS 46 1HE LYS 46 13.241 -17.396 8.022 356 HZ1 LYS 46 1HZ LYS 46 10.638 -17.615 6.603 357 HZ2 LYS 46 2HZ LYS 46 10.830 -17.220 8.239 358 HZ3 LYS 46 3HZ LYS 46 11.286 -18.731 7.671 359 H LYS 47 H LYS 47 9.340 -12.349 4.403 360 HA LYS 47 HA LYS 47 7.411 -14.375 4.689 361 HB2 LYS 47 2HB LYS 47 7.099 -11.382 4.694 362 HB3 LYS 47 1HB LYS 47 5.726 -12.469 4.843 363 HG2 LYS 47 2HG LYS 47 6.821 -13.473 6.840 364 HG3 LYS 47 1HG LYS 47 8.066 -12.226 6.722 365 HD2 LYS 47 2HD LYS 47 6.439 -11.532 8.353 366 HD3 LYS 47 1HD LYS 47 6.274 -10.510 6.928 367 HE2 LYS 47 2HE LYS 47 4.078 -11.162 7.797 368 HE3 LYS 47 1HE LYS 47 4.331 -11.844 6.198 369 HZ1 LYS 47 1HZ LYS 47 3.346 -13.421 7.838 370 HZ2 LYS 47 2HZ LYS 47 4.766 -13.364 8.726 371 HZ3 LYS 47 3HZ LYS 47 4.771 -14.001 7.186 372 H ALA 48 H ALA 48 8.345 -12.322 2.096 373 HA ALA 48 HA ALA 48 6.153 -12.915 0.406 374 HB1 ALA 48 1HB ALA 48 7.663 -11.025 -0.026 375 HB2 ALA 48 2HB ALA 48 7.608 -12.114 -1.412 376 HB3 ALA 48 3HB ALA 48 8.992 -12.143 -0.315 377 H GLU 49 H GLU 49 9.271 -14.475 0.970 378 HA GLU 49 HA GLU 49 9.061 -16.612 -0.845 379 HB2 GLU 49 2HB GLU 49 10.210 -16.680 1.968 380 HB3 GLU 49 1HB GLU 49 10.483 -17.897 0.738 381 HG2 GLU 49 2HG GLU 49 11.411 -15.035 0.644 382 HG3 GLU 49 1HG GLU 49 12.411 -16.444 1.002 383 H GLU 50 H GLU 50 7.874 -16.153 2.463 384 HA GLU 50 HA GLU 50 6.826 -18.618 2.968 385 HB2 GLU 50 2HB GLU 50 7.440 -17.081 4.667 386 HB3 GLU 50 1HB GLU 50 6.441 -15.833 3.934 387 HG2 GLU 50 2HG GLU 50 4.539 -16.980 4.421 388 HG3 GLU 50 1HG GLU 50 5.448 -18.328 5.144 389 H THR 51 H THR 51 5.472 -15.638 1.549 390 HA THR 51 HA THR 51 2.941 -16.609 1.560 391 HB THR 51 HB THR 51 2.630 -14.954 -0.483 392 HG1 THR 51 1HG THR 51 5.090 -14.637 -0.392 393 HG21 THR 51 1HG2 THR 51 2.151 -13.278 1.187 394 HG22 THR 51 2HG2 THR 51 3.110 -14.220 2.366 395 HG23 THR 51 3HG2 THR 51 1.653 -14.920 1.644 396 H ILE 52 H ILE 52 5.355 -16.948 -0.938 397 HA ILE 52 HA ILE 52 3.528 -18.169 -2.690 398 HB ILE 52 HB ILE 52 6.568 -18.278 -2.680 399 HG12 ILE 52 2HG1 ILE 52 4.647 -16.593 -4.308 400 HG13 ILE 52 1HG1 ILE 52 5.598 -16.027 -2.943 401 HG21 ILE 52 1HG2 ILE 52 5.659 -20.173 -3.940 402 HG22 ILE 52 2HG2 ILE 52 6.398 -19.007 -5.036 403 HG23 ILE 52 3HG2 ILE 52 4.642 -19.076 -4.877 404 HD11 ILE 52 1HD1 ILE 52 6.698 -17.036 -5.559 405 HD12 ILE 52 2HD1 ILE 52 7.648 -16.444 -4.197 406 HD13 ILE 52 3HD1 ILE 52 6.571 -15.349 -5.062 407 H SER 53 H SER 53 5.941 -19.311 -0.387 408 HA SER 53 HA SER 53 5.798 -22.040 -0.804 409 HB2 SER 53 2HB SER 53 7.489 -20.807 0.578 410 HB3 SER 53 1HB SER 53 6.260 -20.614 1.824 411 HG SER 53 HG SER 53 7.352 -22.990 0.807 412 H TRP 54 H TRP 54 3.926 -20.035 1.498 413 HA TRP 54 HA TRP 54 2.371 -22.052 2.657 414 HB2 TRP 54 2HB TRP 54 2.499 -19.592 3.398 415 HB3 TRP 54 1HB TRP 54 1.361 -19.237 2.112 416 HD1 TRP 54 HD TRP 54 1.591 -20.719 5.582 417 HE1 TRP 54 1HE TRP 54 -0.763 -21.074 6.522 418 HE3 TRP 54 3HE TRP 54 -1.142 -19.818 1.339 419 HZ2 TRP 54 2HZ TRP 54 -3.426 -20.986 5.611 420 HZ3 TRP 54 3HZ TRP 54 -3.591 -19.974 1.476 421 HH2 TRP 54 HH TRP 54 -4.702 -20.550 3.564 422 H LEU 55 H LEU 55 1.827 -20.075 -0.206 423 HA LEU 55 HA LEU 55 -0.708 -21.071 -0.860 424 HB2 LEU 55 2HB LEU 55 0.145 -19.007 -1.814 425 HB3 LEU 55 1HB LEU 55 1.474 -19.849 -2.557 426 HG LEU 55 HG LEU 55 -1.381 -20.324 -3.461 427 HD11 LEU 55 1HD1 LEU 55 -0.953 -17.936 -3.618 428 HD12 LEU 55 2HD1 LEU 55 -0.905 -18.665 -5.225 429 HD13 LEU 55 3HD1 LEU 55 0.595 -18.250 -4.399 430 HD21 LEU 55 1HD2 LEU 55 1.286 -20.583 -4.865 431 HD22 LEU 55 2HD2 LEU 55 -0.302 -20.978 -5.533 432 HD23 LEU 55 3HD2 LEU 55 0.352 -21.922 -4.195 433 H ASP 56 H ASP 56 2.477 -22.313 -1.692 434 HA ASP 56 HA ASP 56 1.507 -24.235 -3.568 435 HB2 ASP 56 2HB ASP 56 3.750 -23.326 -3.800 436 HB3 ASP 56 1HB ASP 56 4.187 -23.919 -2.207 437 H SER 57 H SER 57 2.323 -24.241 -0.168 438 HA SER 57 HA SER 57 2.001 -27.080 -0.058 439 HB2 SER 57 2HB SER 57 2.641 -25.076 2.092 440 HB3 SER 57 1HB SER 57 2.623 -26.829 2.299 441 HG SER 57 HG SER 57 4.120 -26.517 0.256 442 H ASN 58 H ASN 58 -0.074 -24.382 0.230 443 HA ASN 58 HA ASN 58 -1.995 -25.999 1.733 444 HB2 ASN 58 2HB ASN 58 -1.465 -23.036 2.118 445 HB3 ASN 58 1HB ASN 58 -2.859 -23.872 2.780 446 HD21 ASN 58 1HD2 ASN 58 0.526 -23.394 2.973 447 HD22 ASN 58 2HD2 ASN 58 0.795 -24.114 4.521 448 H THR 59 H THR 59 -1.776 -25.826 -1.061 449 HA THR 59 HA THR 59 -3.278 -23.914 -2.314 450 HB THR 59 HB THR 59 -3.081 -26.792 -3.151 451 HG1 THR 59 1HG THR 59 -1.098 -24.752 -2.888 452 HG21 THR 59 1HG2 THR 59 -2.860 -24.173 -4.597 453 HG22 THR 59 2HG2 THR 59 -4.327 -25.155 -4.531 454 HG23 THR 59 3HG2 THR 59 -2.879 -25.774 -5.348 455 H THR 60 H THR 60 -4.302 -26.681 -0.433 456 HA THR 60 HA THR 60 -6.989 -26.693 -1.495 457 HB THR 60 HB THR 60 -5.831 -28.798 -0.838 458 HG1 THR 60 1HG THR 60 -8.002 -28.675 0.928 459 HG21 THR 60 1HG2 THR 60 -6.260 -27.729 1.916 460 HG22 THR 60 2HG2 THR 60 -4.710 -27.890 1.095 461 HG23 THR 60 3HG2 THR 60 -5.637 -29.349 1.536 462 H ALA 61 H ALA 61 -5.469 -24.626 0.558 463 HA ALA 61 HA ALA 61 -7.366 -24.493 2.666 464 HB1 ALA 61 1HB ALA 61 -6.269 -22.392 3.269 465 HB2 ALA 61 2HB ALA 61 -5.378 -22.413 1.748 466 HB3 ALA 61 3HB ALA 61 -5.081 -23.657 2.963 467 H SER 62 H SER 62 -8.749 -22.618 3.043 468 HA SER 62 HA SER 62 -10.382 -22.279 0.766 469 HB2 SER 62 2HB SER 62 -10.480 -21.033 3.507 470 HB3 SER 62 1HB SER 62 -11.776 -20.963 2.306 471 HG SER 62 HG SER 62 -11.826 -22.678 3.974 472 H LYS 63 H LYS 63 -11.078 -20.167 -0.009 473 HA LYS 63 HA LYS 63 -8.750 -18.791 -0.912 474 HB2 LYS 63 2HB LYS 63 -10.405 -17.423 -2.249 475 HB3 LYS 63 1HB LYS 63 -10.433 -19.152 -2.536 476 HG2 LYS 63 2HG LYS 63 -12.348 -18.590 -0.525 477 HG3 LYS 63 1HG LYS 63 -12.570 -17.429 -1.831 478 HD2 LYS 63 2HD LYS 63 -13.961 -19.347 -2.306 479 HD3 LYS 63 1HD LYS 63 -12.617 -19.354 -3.444 480 HE2 LYS 63 2HE LYS 63 -11.472 -21.059 -2.075 481 HE3 LYS 63 1HE LYS 63 -12.809 -21.031 -0.936 482 HZ1 LYS 63 1HZ LYS 63 -13.123 -22.891 -2.342 483 HZ2 LYS 63 2HZ LYS 63 -12.884 -22.069 -3.756 484 HZ3 LYS 63 3HZ LYS 63 -14.262 -21.761 -2.807 485 H GLU 64 H GLU 64 -11.158 -18.284 1.427 486 HA GLU 64 HA GLU 64 -10.712 -15.583 2.051 487 HB2 GLU 64 2HB GLU 64 -11.404 -17.687 4.090 488 HB3 GLU 64 1HB GLU 64 -11.881 -16.006 4.084 489 HG2 GLU 64 2HG GLU 64 -13.854 -17.056 3.513 490 HG3 GLU 64 1HG GLU 64 -13.191 -16.689 1.918 491 H GLU 65 H GLU 65 -9.101 -18.555 3.010 492 HA GLU 65 HA GLU 65 -7.496 -17.427 5.071 493 HB2 GLU 65 2HB GLU 65 -7.099 -19.968 3.479 494 HB3 GLU 65 1HB GLU 65 -6.177 -19.524 4.904 495 HG2 GLU 65 2HG GLU 65 -8.209 -19.600 6.254 496 HG3 GLU 65 1HG GLU 65 -9.143 -20.029 4.821 497 H PHE 66 H PHE 66 -7.033 -18.012 1.635 498 HA PHE 66 HA PHE 66 -4.337 -17.256 1.489 499 HB2 PHE 66 2HB PHE 66 -6.556 -17.143 -0.548 500 HB3 PHE 66 1HB PHE 66 -4.940 -16.555 -0.929 501 HD1 PHE 66 1HD PHE 66 -7.031 -19.514 -0.375 502 HD2 PHE 66 2HD PHE 66 -3.075 -18.108 -1.080 503 HE1 PHE 66 1HE PHE 66 -6.342 -21.773 -0.989 504 HE2 PHE 66 2HE PHE 66 -2.388 -20.381 -1.692 505 HZ PHE 66 HZ PHE 66 -4.024 -22.216 -1.646 506 H ASP 67 H ASP 67 -7.281 -15.354 1.304 507 HA ASP 67 HA ASP 67 -6.014 -12.857 0.874 508 HB2 ASP 67 2HB ASP 67 -8.317 -13.129 0.258 509 HB3 ASP 67 1HB ASP 67 -8.766 -13.568 1.899 510 H ASP 68 H ASP 68 -6.924 -14.606 3.759 511 HA ASP 68 HA ASP 68 -6.627 -12.477 5.631 512 HB2 ASP 68 2HB ASP 68 -7.768 -14.757 5.991 513 HB3 ASP 68 1HB ASP 68 -6.114 -15.349 6.217 514 H LYS 69 H LYS 69 -4.510 -15.085 4.554 515 HA LYS 69 HA LYS 69 -2.313 -14.246 6.114 516 HB2 LYS 69 2HB LYS 69 -2.718 -16.569 5.486 517 HB3 LYS 69 1HB LYS 69 -2.547 -16.179 3.794 518 HG2 LYS 69 2HG LYS 69 -0.260 -15.680 5.657 519 HG3 LYS 69 1HG LYS 69 -0.619 -17.327 5.157 520 HD2 LYS 69 2HD LYS 69 -0.083 -15.001 3.329 521 HD3 LYS 69 1HD LYS 69 1.078 -16.283 3.718 522 HE2 LYS 69 2HE LYS 69 -0.663 -17.917 2.834 523 HE3 LYS 69 1HE LYS 69 -1.518 -16.516 2.199 524 HZ1 LYS 69 1HZ LYS 69 -0.137 -17.526 0.539 525 HZ2 LYS 69 2HZ LYS 69 1.228 -17.328 1.494 526 HZ3 LYS 69 3HZ LYS 69 0.401 -15.968 0.898 527 H LEU 70 H LEU 70 -3.516 -13.390 2.974 528 HA LEU 70 HA LEU 70 -1.226 -12.019 2.022 529 HB2 LEU 70 2HB LEU 70 -3.201 -12.587 0.584 530 HB3 LEU 70 1HB LEU 70 -4.181 -11.505 1.525 531 HG LEU 70 HG LEU 70 -3.499 -10.720 -0.800 532 HD11 LEU 70 1HD1 LEU 70 -3.134 -8.394 -0.157 533 HD12 LEU 70 2HD1 LEU 70 -2.854 -8.905 1.510 534 HD13 LEU 70 3HD1 LEU 70 -4.432 -9.154 0.764 535 HD21 LEU 70 1HD2 LEU 70 -1.303 -9.664 -1.020 536 HD22 LEU 70 2HD2 LEU 70 -1.179 -11.405 -0.767 537 HD23 LEU 70 3HD2 LEU 70 -0.848 -10.295 0.562 538 H LYS 71 H LYS 71 -3.911 -11.160 4.114 539 HA LYS 71 HA LYS 71 -3.175 -8.451 4.417 540 HB2 LYS 71 2HB LYS 71 -5.471 -9.463 4.903 541 HB3 LYS 71 1HB LYS 71 -4.788 -10.094 6.385 542 HG2 LYS 71 2HG LYS 71 -4.794 -7.145 5.760 543 HG3 LYS 71 1HG LYS 71 -6.159 -7.946 6.518 544 HD2 LYS 71 2HD LYS 71 -4.763 -8.575 8.413 545 HD3 LYS 71 1HD LYS 71 -3.345 -7.868 7.632 546 HE2 LYS 71 2HE LYS 71 -4.332 -5.660 7.750 547 HE3 LYS 71 1HE LYS 71 -5.836 -6.331 8.373 548 HZ1 LYS 71 1HZ LYS 71 -4.590 -7.062 10.341 549 HZ2 LYS 71 2HZ LYS 71 -4.644 -5.416 10.170 550 HZ3 LYS 71 3HZ LYS 71 -3.206 -6.234 9.834 551 H GLU 72 H GLU 72 -2.386 -11.407 6.184 552 HA GLU 72 HA GLU 72 -0.905 -10.271 8.291 553 HB2 GLU 72 2HB GLU 72 -0.380 -12.839 6.800 554 HB3 GLU 72 1HB GLU 72 0.408 -12.381 8.299 555 HG2 GLU 72 2HG GLU 72 -1.756 -12.406 9.423 556 HG3 GLU 72 1HG GLU 72 -2.527 -12.900 7.912 557 H LEU 73 H LEU 73 0.018 -11.127 5.042 558 HA LEU 73 HA LEU 73 2.760 -10.467 5.176 559 HB2 LEU 73 2HB LEU 73 1.683 -11.766 3.328 560 HB3 LEU 73 1HB LEU 73 0.881 -10.318 2.791 561 HG LEU 73 HG LEU 73 2.799 -11.063 1.365 562 HD11 LEU 73 1HD1 LEU 73 3.145 -8.338 2.570 563 HD12 LEU 73 2HD1 LEU 73 2.089 -8.769 1.222 564 HD13 LEU 73 3HD1 LEU 73 3.837 -8.892 1.044 565 HD21 LEU 73 1HD2 LEU 73 4.276 -11.887 3.101 566 HD22 LEU 73 2HD2 LEU 73 4.476 -10.250 3.729 567 HD23 LEU 73 3HD2 LEU 73 5.085 -10.661 2.125 568 H GLN 74 H GLN 74 -0.008 -8.551 4.118 569 HA GLN 74 HA GLN 74 1.375 -6.133 3.681 570 HB2 GLN 74 2HB GLN 74 -1.519 -6.720 4.223 571 HB3 GLN 74 1HB GLN 74 -0.925 -5.106 3.875 572 HG2 GLN 74 2HG GLN 74 -0.591 -7.465 2.040 573 HG3 GLN 74 1HG GLN 74 -1.898 -6.292 1.916 574 HE21 GLN 74 1HE2 GLN 74 1.493 -6.862 1.405 575 HE22 GLN 74 2HE2 GLN 74 1.785 -5.391 0.535 576 H ASP 75 H ASP 75 -0.157 -7.451 6.524 577 HA ASP 75 HA ASP 75 -0.334 -5.191 8.147 578 HB2 ASP 75 2HB ASP 75 -1.335 -7.452 8.590 579 HB3 ASP 75 1HB ASP 75 0.263 -8.006 9.063 580 H ILE 76 H ILE 76 2.239 -7.546 7.845 581 HA ILE 76 HA ILE 76 3.993 -6.197 9.681 582 HB ILE 76 HB ILE 76 4.509 -8.465 7.742 583 HG12 ILE 76 2HG1 ILE 76 2.918 -9.033 9.524 584 HG13 ILE 76 1HG1 ILE 76 4.429 -9.915 9.713 585 HG21 ILE 76 1HG2 ILE 76 6.298 -7.437 9.944 586 HG22 ILE 76 2HG2 ILE 76 6.599 -7.317 8.212 587 HG23 ILE 76 3HG2 ILE 76 6.577 -8.899 8.995 588 HD11 ILE 76 1HD1 ILE 76 3.612 -9.157 11.853 589 HD12 ILE 76 2HD1 ILE 76 3.561 -7.493 11.281 590 HD13 ILE 76 3HD1 ILE 76 5.111 -8.320 11.455 591 H ALA 77 H ALA 77 3.625 -6.360 6.187 592 HA ALA 77 HA ALA 77 6.100 -5.035 5.652 593 HB1 ALA 77 1HB ALA 77 5.407 -5.044 3.330 594 HB2 ALA 77 2HB ALA 77 3.773 -5.516 3.797 595 HB3 ALA 77 3HB ALA 77 5.121 -6.621 4.066 596 H ASN 78 H ASN 78 3.053 -3.940 6.581 597 HA ASN 78 HA ASN 78 2.821 -1.564 5.156 598 HB2 ASN 78 2HB ASN 78 1.013 -2.633 6.559 599 HB3 ASN 78 1HB ASN 78 1.801 -1.987 7.985 600 HD21 ASN 78 1HD2 ASN 78 -0.865 -1.518 6.978 601 HD22 ASN 78 2HD2 ASN 78 -0.997 0.183 6.726 602 HA PRO 79 HA PRO 79 5.128 0.939 8.645 603 HB2 PRO 79 2HB PRO 79 6.787 -0.514 10.298 604 HB3 PRO 79 1HB PRO 79 5.155 -0.015 10.748 605 HG2 PRO 79 2HG PRO 79 6.106 -2.649 9.692 606 HG3 PRO 79 1HG PRO 79 4.944 -2.316 10.991 607 HD2 PRO 79 2HD PRO 79 4.134 -3.039 8.539 608 HD3 PRO 79 1HD PRO 79 3.232 -1.853 9.508 609 H ILE 80 H ILE 80 6.506 -1.991 7.342 610 HA ILE 80 HA ILE 80 9.113 -0.985 6.951 611 HB ILE 80 HB ILE 80 7.675 -3.328 5.669 612 HG12 ILE 80 2HG1 ILE 80 9.672 -3.218 7.940 613 HG13 ILE 80 1HG1 ILE 80 7.934 -3.387 8.143 614 HG21 ILE 80 1HG2 ILE 80 9.959 -4.136 5.103 615 HG22 ILE 80 2HG2 ILE 80 10.597 -2.573 5.643 616 HG23 ILE 80 3HG2 ILE 80 9.521 -2.651 4.258 617 HD11 ILE 80 1HD1 ILE 80 8.034 -5.511 6.965 618 HD12 ILE 80 2HD1 ILE 80 9.049 -5.496 8.410 619 HD13 ILE 80 3HD1 ILE 80 9.788 -5.344 6.811 620 H MET 81 H MET 81 6.219 -1.130 4.932 621 HA MET 81 HA MET 81 7.523 0.058 2.722 622 HB2 MET 81 2HB MET 81 4.629 -0.435 3.331 623 HB3 MET 81 1HB MET 81 5.111 0.525 1.928 624 HG2 MET 81 2HG MET 81 6.038 -2.262 2.529 625 HG3 MET 81 1HG MET 81 4.800 -1.813 1.344 626 HE1 MET 81 1HE MET 81 7.967 -3.179 1.284 627 HE2 MET 81 2HE MET 81 8.358 -2.799 -0.395 628 HE3 MET 81 3HE MET 81 6.764 -3.480 0.018 629 H SER 82 H SER 82 6.032 1.268 5.520 630 HA SER 82 HA SER 82 5.644 3.930 4.729 631 HB2 SER 82 2HB SER 82 6.442 2.886 7.460 632 HB3 SER 82 1HB SER 82 5.662 4.434 7.126 633 HG SER 82 HG SER 82 4.390 2.073 6.252 634 H LYS 83 H LYS 83 8.467 2.219 6.122 635 HA LYS 83 HA LYS 83 10.056 4.548 5.841 636 HB2 LYS 83 2HB LYS 83 12.031 3.205 6.408 637 HB3 LYS 83 1HB LYS 83 10.727 3.014 7.571 638 HG2 LYS 83 2HG LYS 83 10.149 0.949 6.671 639 HG3 LYS 83 1HG LYS 83 11.300 1.165 5.351 640 HD2 LYS 83 2HD LYS 83 12.220 -0.358 7.082 641 HD3 LYS 83 1HD LYS 83 13.163 1.127 6.943 642 HE2 LYS 83 2HE LYS 83 12.173 2.015 8.918 643 HE3 LYS 83 1HE LYS 83 11.007 0.697 8.993 644 HZ1 LYS 83 1HZ LYS 83 13.958 0.472 9.359 645 HZ2 LYS 83 2HZ LYS 83 12.907 -0.828 9.332 646 HZ3 LYS 83 3HZ LYS 83 12.777 0.333 10.560 647 H LEU 84 H LEU 84 9.673 1.586 3.873 648 HA LEU 84 HA LEU 84 11.715 1.897 2.103 649 HB2 LEU 84 2HB LEU 84 10.165 -0.037 2.251 650 HB3 LEU 84 1HB LEU 84 8.904 0.943 1.551 651 HG LEU 84 HG LEU 84 9.948 -0.789 0.039 652 HD11 LEU 84 1HD1 LEU 84 10.077 2.050 -0.946 653 HD12 LEU 84 2HD1 LEU 84 8.655 1.005 -0.929 654 HD13 LEU 84 3HD1 LEU 84 10.032 0.602 -1.952 655 HD21 LEU 84 1HD2 LEU 84 12.060 -0.227 -1.028 656 HD22 LEU 84 2HD2 LEU 84 12.241 -0.554 0.698 657 HD23 LEU 84 3HD2 LEU 84 12.277 1.108 0.104 658 H TYR 85 H TYR 85 8.449 3.276 1.789 659 HA TYR 85 HA TYR 85 9.043 4.511 -0.651 660 HB2 TYR 85 2HB TYR 85 6.802 5.065 1.289 661 HB3 TYR 85 1HB TYR 85 6.959 5.873 -0.268 662 HD1 TYR 85 1HD TYR 85 7.609 3.942 -2.187 663 HD2 TYR 85 2HD TYR 85 5.161 3.431 1.253 664 HE1 TYR 85 1HE TYR 85 6.473 2.070 -3.281 665 HE2 TYR 85 2HE TYR 85 4.017 1.555 0.160 666 HH TYR 85 HH TYR 85 3.598 0.778 -2.183 667 H GLN 86 H GLN 86 9.141 5.793 2.627 668 HA GLN 86 HA GLN 86 9.742 8.397 1.601 669 HB2 GLN 86 2HB GLN 86 9.710 7.383 4.430 670 HB3 GLN 86 1HB GLN 86 9.914 9.071 3.970 671 HG2 GLN 86 2HG GLN 86 7.729 9.052 2.888 672 HG3 GLN 86 1HG GLN 86 7.520 7.363 3.338 673 HE21 GLN 86 1HE2 GLN 86 8.767 7.856 5.996 674 HE22 GLN 86 2HE2 GLN 86 7.527 8.618 6.903 675 H ALA 87 H ALA 87 11.639 5.698 2.600 676 HA ALA 87 HA ALA 87 14.036 7.106 3.118 677 HB1 ALA 87 1HB ALA 87 13.681 4.789 3.867 678 HB2 ALA 87 2HB ALA 87 15.145 4.936 2.897 679 HB3 ALA 87 3HB ALA 87 13.682 4.253 2.189 680 H GLY 88 H GLY 88 12.780 5.499 0.239 681 HA2 GLY 88 2HA GLY 88 13.842 7.431 -1.514 682 HA3 GLY 88 1HA GLY 88 14.979 6.095 -1.416 683 H GLY 89 H GLY 89 11.514 5.742 -1.158 684 HA2 GLY 89 2HA GLY 89 11.654 4.074 -3.562 685 HA3 GLY 89 1HA GLY 89 10.430 3.962 -2.295 686 H ALA 90 H ALA 90 9.013 5.776 -2.037 687 HA ALA 90 HA ALA 90 8.736 7.669 -4.134 688 HB1 ALA 90 1HB ALA 90 6.605 5.542 -3.808 689 HB2 ALA 90 2HB ALA 90 7.667 5.721 -5.203 690 HB3 ALA 90 3HB ALA 90 6.484 6.975 -4.828 691 HA PRO 91 HA PRO 91 7.137 8.949 -0.047 692 HB2 PRO 91 2HB PRO 91 8.558 11.436 -0.431 693 HB3 PRO 91 1HB PRO 91 8.857 10.195 0.787 694 HG2 PRO 91 2HG PRO 91 10.575 10.778 -1.281 695 HG3 PRO 91 1HG PRO 91 10.517 9.217 -0.447 696 HD2 PRO 91 2HD PRO 91 9.354 10.004 -3.084 697 HD3 PRO 91 1HD PRO 91 10.100 8.469 -2.583 698 H GLY 92 H GLY 92 5.105 9.139 -0.978 699 HA2 GLY 92 2HA GLY 92 3.254 10.475 -1.458 700 HA3 GLY 92 1HA GLY 92 4.337 11.817 -1.822 701 H GLY 93 H GLY 93 5.965 10.969 -3.623 702 HA2 GLY 93 2HA GLY 93 4.712 9.540 -5.779 703 HA3 GLY 93 1HA GLY 93 5.012 11.262 -6.068 704 H ALA 94 H ALA 94 6.479 9.883 -7.746 705 HA ALA 94 HA ALA 94 9.146 10.093 -6.660 706 HB1 ALA 94 1HB ALA 94 8.166 7.514 -7.892 707 HB2 ALA 94 2HB ALA 94 8.539 7.754 -6.191 708 HB3 ALA 94 3HB ALA 94 9.824 7.859 -7.396 709 H ALA 95 H ALA 95 10.704 9.429 -8.553 710 HA ALA 95 HA ALA 95 10.167 11.010 -10.822 711 HB1 ALA 95 1HB ALA 95 12.204 8.801 -10.489 712 HB2 ALA 95 2HB ALA 95 12.448 10.492 -10.051 713 HB3 ALA 95 3HB ALA 95 12.227 10.043 -11.742 714 H GLY 96 H GLY 96 9.979 7.542 -10.207 715 HA2 GLY 96 2HA GLY 96 7.876 6.649 -11.313 716 HA3 GLY 96 1HA GLY 96 8.646 7.200 -12.797 717 H GLY 97 H GLY 97 10.163 5.968 -13.748 718 HA2 GLY 97 2HA GLY 97 11.791 4.090 -12.623 719 HA3 GLY 97 1HA GLY 97 10.281 3.259 -12.990 720 H ALA 98 H ALA 98 11.630 2.050 -14.459 721 HA ALA 98 HA ALA 98 12.394 3.443 -16.909 722 HB1 ALA 98 1HB ALA 98 14.055 1.970 -15.857 723 HB2 ALA 98 2HB ALA 98 13.570 1.339 -17.428 724 HB3 ALA 98 3HB ALA 98 12.919 0.624 -15.955 725 HA PRO 99 HA PRO 99 8.999 2.013 -19.439 726 HB2 PRO 99 2HB PRO 99 10.954 0.448 -21.068 727 HB3 PRO 99 1HB PRO 99 9.711 1.581 -21.599 728 HG2 PRO 99 2HG PRO 99 12.223 2.364 -21.557 729 HG3 PRO 99 1HG PRO 99 10.957 3.452 -20.964 730 HD2 PRO 99 2HD PRO 99 12.912 1.813 -19.416 731 HD3 PRO 99 1HD PRO 99 12.313 3.458 -19.105 732 H GLY 100 H GLY 100 11.313 -0.539 -18.576 733 HA2 GLY 100 2HA GLY 100 9.638 -2.746 -19.097 734 HA3 GLY 100 1HA GLY 100 11.050 -2.742 -18.054 735 H GLY 101 H GLY 101 9.908 -0.643 -16.307 736 HA2 GLY 101 2HA GLY 101 7.880 -0.514 -14.953 737 HA3 GLY 101 1HA GLY 101 7.867 -2.281 -14.970 Start of MODEL 18 1 H1 SER 1 1HT SER 1 -17.887 -27.114 -11.162 2 H2 SER 1 2HT SER 1 -18.468 -26.994 -12.743 3 H3 SER 1 3HT SER 1 -18.694 -28.425 -11.865 4 HA SER 1 HA SER 1 -20.717 -27.248 -12.018 5 HB2 SER 1 2HB SER 1 -19.545 -27.100 -9.230 6 HB3 SER 1 1HB SER 1 -21.235 -27.345 -9.667 7 HG SER 1 HG SER 1 -19.554 -29.197 -9.172 8 H LYS 2 H LYS 2 -21.929 -25.346 -11.596 9 HA LYS 2 HA LYS 2 -20.654 -22.996 -12.414 10 HB2 LYS 2 2HB LYS 2 -23.385 -23.438 -11.271 11 HB3 LYS 2 1HB LYS 2 -22.846 -21.908 -11.944 12 HG2 LYS 2 2HG LYS 2 -22.942 -24.512 -13.449 13 HG3 LYS 2 1HG LYS 2 -24.183 -23.266 -13.517 14 HD2 LYS 2 2HD LYS 2 -22.446 -21.673 -14.328 15 HD3 LYS 2 1HD LYS 2 -21.301 -23.011 -14.378 16 HE2 LYS 2 2HE LYS 2 -22.741 -24.183 -15.970 17 HE3 LYS 2 1HE LYS 2 -23.878 -22.844 -15.929 18 HZ1 LYS 2 1HZ LYS 2 -22.228 -21.392 -16.857 19 HZ2 LYS 2 2HZ LYS 2 -22.332 -22.744 -17.855 20 HZ3 LYS 2 3HZ LYS 2 -21.055 -22.589 -16.805 21 H GLU 3 H GLU 3 -21.985 -23.700 -9.175 22 HA GLU 3 HA GLU 3 -21.115 -21.144 -8.220 23 HB2 GLU 3 2HB GLU 3 -21.891 -21.793 -6.015 24 HB3 GLU 3 1HB GLU 3 -23.066 -22.324 -7.191 25 HG2 GLU 3 2HG GLU 3 -21.035 -24.066 -5.806 26 HG3 GLU 3 1HG GLU 3 -22.753 -23.970 -5.429 27 H GLU 4 H GLU 4 -19.863 -24.324 -8.271 28 HA GLU 4 HA GLU 4 -17.583 -24.077 -6.723 29 HB2 GLU 4 2HB GLU 4 -18.312 -26.179 -7.654 30 HB3 GLU 4 1HB GLU 4 -18.071 -25.579 -9.284 31 HG2 GLU 4 2HG GLU 4 -15.654 -25.452 -8.833 32 HG3 GLU 4 1HG GLU 4 -15.946 -26.173 -7.246 33 H ASP 5 H ASP 5 -18.104 -23.231 -10.170 34 HA ASP 5 HA ASP 5 -15.535 -22.345 -10.860 35 HB2 ASP 5 2HB ASP 5 -18.154 -21.111 -11.733 36 HB3 ASP 5 1HB ASP 5 -16.601 -20.730 -12.437 37 H GLU 6 H GLU 6 -18.228 -20.548 -9.516 38 HA GLU 6 HA GLU 6 -17.144 -18.024 -9.327 39 HB2 GLU 6 2HB GLU 6 -19.514 -19.174 -8.848 40 HB3 GLU 6 1HB GLU 6 -18.940 -19.069 -7.197 41 HG2 GLU 6 2HG GLU 6 -19.118 -16.781 -9.086 42 HG3 GLU 6 1HG GLU 6 -20.397 -17.228 -7.960 43 H LYS 7 H LYS 7 -17.195 -20.649 -6.840 44 HA LYS 7 HA LYS 7 -15.805 -19.370 -4.874 45 HB2 LYS 7 2HB LYS 7 -17.237 -21.351 -4.699 46 HB3 LYS 7 1HB LYS 7 -16.037 -22.274 -5.591 47 HG2 LYS 7 2HG LYS 7 -14.450 -21.914 -3.899 48 HG3 LYS 7 1HG LYS 7 -15.613 -20.890 -3.027 49 HD2 LYS 7 2HD LYS 7 -15.592 -23.112 -1.996 50 HD3 LYS 7 1HD LYS 7 -17.125 -22.844 -2.814 51 HE2 LYS 7 2HE LYS 7 -16.349 -25.094 -3.249 52 HE3 LYS 7 1HE LYS 7 -16.298 -24.167 -4.738 53 HZ1 LYS 7 1HZ LYS 7 -13.916 -24.566 -3.011 54 HZ2 LYS 7 2HZ LYS 7 -13.920 -24.092 -4.658 55 HZ3 LYS 7 3HZ LYS 7 -14.356 -25.622 -4.214 56 H GLU 8 H GLU 8 -14.701 -21.526 -7.492 57 HA GLU 8 HA GLU 8 -11.997 -21.636 -6.742 58 HB2 GLU 8 2HB GLU 8 -13.186 -21.914 -9.511 59 HB3 GLU 8 1HB GLU 8 -11.563 -22.390 -9.049 60 HG2 GLU 8 2HG GLU 8 -14.143 -23.591 -8.071 61 HG3 GLU 8 1HG GLU 8 -12.994 -24.326 -9.182 62 H SER 9 H SER 9 -13.793 -19.435 -8.785 63 HA SER 9 HA SER 9 -11.567 -17.996 -9.747 64 HB2 SER 9 2HB SER 9 -14.416 -17.038 -9.423 65 HB3 SER 9 1HB SER 9 -13.179 -16.314 -10.461 66 HG SER 9 HG SER 9 -14.378 -18.862 -10.652 67 H GLN 10 H GLN 10 -13.542 -17.683 -6.840 68 HA GLN 10 HA GLN 10 -12.374 -15.254 -5.986 69 HB2 GLN 10 2HB GLN 10 -13.676 -17.437 -4.356 70 HB3 GLN 10 1HB GLN 10 -13.185 -15.878 -3.708 71 HG2 GLN 10 2HG GLN 10 -14.707 -14.795 -5.348 72 HG3 GLN 10 1HG GLN 10 -15.282 -16.401 -5.794 73 HE21 GLN 10 1HE2 GLN 10 -17.368 -15.954 -5.087 74 HE22 GLN 10 2HE2 GLN 10 -17.771 -15.829 -3.427 75 H ARG 11 H ARG 11 -11.486 -18.621 -5.567 76 HA ARG 11 HA ARG 11 -9.252 -18.141 -3.886 77 HB2 ARG 11 2HB ARG 11 -10.009 -20.450 -4.152 78 HB3 ARG 11 1HB ARG 11 -9.685 -20.386 -5.883 79 HG2 ARG 11 2HG ARG 11 -7.269 -20.030 -5.368 80 HG3 ARG 11 1HG ARG 11 -7.638 -20.260 -3.664 81 HD2 ARG 11 2HD ARG 11 -8.190 -22.299 -5.811 82 HD3 ARG 11 1HD ARG 11 -6.722 -22.264 -4.846 83 HE ARG 11 HE ARG 11 -8.063 -22.667 -2.899 84 HH11 ARG 11 1HH1 ARG 11 -9.576 -23.321 -5.985 85 HH12 ARG 11 2HH1 ARG 11 -10.659 -24.472 -5.445 86 HH21 ARG 11 1HH2 ARG 11 -9.511 -24.339 -2.069 87 HH22 ARG 11 2HH2 ARG 11 -10.613 -25.099 -3.143 88 H ILE 12 H ILE 12 -9.561 -18.408 -7.393 89 HA ILE 12 HA ILE 12 -6.896 -17.969 -8.048 90 HB ILE 12 HB ILE 12 -9.367 -17.176 -9.628 91 HG12 ILE 12 2HG1 ILE 12 -7.581 -19.618 -9.842 92 HG13 ILE 12 1HG1 ILE 12 -9.156 -19.595 -9.070 93 HG21 ILE 12 1HG2 ILE 12 -7.898 -17.167 -11.612 94 HG22 ILE 12 2HG2 ILE 12 -6.499 -17.438 -10.570 95 HG23 ILE 12 3HG2 ILE 12 -7.415 -15.938 -10.441 96 HD11 ILE 12 1HD1 ILE 12 -8.600 -19.075 -11.985 97 HD12 ILE 12 2HD1 ILE 12 -10.192 -19.051 -11.227 98 HD13 ILE 12 3HD1 ILE 12 -9.269 -20.553 -11.299 99 H ALA 13 H ALA 13 -9.477 -15.568 -7.614 100 HA ALA 13 HA ALA 13 -7.944 -13.332 -8.288 101 HB1 ALA 13 1HB ALA 13 -10.312 -13.423 -6.423 102 HB2 ALA 13 2HB ALA 13 -10.401 -13.311 -8.182 103 HB3 ALA 13 3HB ALA 13 -9.689 -11.994 -7.249 104 H SER 14 H SER 14 -8.499 -14.806 -5.105 105 HA SER 14 HA SER 14 -6.970 -12.825 -3.757 106 HB2 SER 14 2HB SER 14 -7.064 -14.538 -1.850 107 HB3 SER 14 1HB SER 14 -8.616 -13.945 -2.446 108 HG SER 14 HG SER 14 -8.994 -15.832 -3.419 109 H LYS 15 H LYS 15 -6.357 -16.075 -4.875 110 HA LYS 15 HA LYS 15 -3.757 -16.555 -4.050 111 HB2 LYS 15 2HB LYS 15 -5.172 -18.236 -5.047 112 HB3 LYS 15 1HB LYS 15 -5.212 -17.364 -6.557 113 HG2 LYS 15 2HG LYS 15 -2.797 -17.838 -6.837 114 HG3 LYS 15 1HG LYS 15 -2.865 -18.829 -5.369 115 HD2 LYS 15 2HD LYS 15 -4.527 -20.273 -6.360 116 HD3 LYS 15 1HD LYS 15 -4.620 -19.253 -7.791 117 HE2 LYS 15 2HE LYS 15 -2.211 -19.775 -8.217 118 HE3 LYS 15 1HE LYS 15 -2.284 -20.917 -6.873 119 HZ1 LYS 15 1HZ LYS 15 -2.611 -22.045 -8.965 120 HZ2 LYS 15 2HZ LYS 15 -3.856 -21.026 -9.386 121 HZ3 LYS 15 3HZ LYS 15 -4.070 -22.109 -8.109 122 H ASN 16 H ASN 16 -4.885 -14.949 -7.039 123 HA ASN 16 HA ASN 16 -2.246 -14.623 -8.056 124 HB2 ASN 16 2HB ASN 16 -4.877 -13.424 -8.894 125 HB3 ASN 16 1HB ASN 16 -3.369 -12.936 -9.651 126 HD21 ASN 16 1HD2 ASN 16 -3.956 -16.191 -8.574 127 HD22 ASN 16 2HD2 ASN 16 -4.060 -16.925 -10.125 128 H GLN 17 H GLN 17 -4.410 -12.549 -6.249 129 HA GLN 17 HA GLN 17 -2.749 -10.255 -6.419 130 HB2 GLN 17 2HB GLN 17 -5.180 -10.229 -5.738 131 HB3 GLN 17 1HB GLN 17 -4.708 -10.982 -4.225 132 HG2 GLN 17 2HG GLN 17 -5.038 -8.626 -3.887 133 HG3 GLN 17 1HG GLN 17 -3.329 -9.012 -3.696 134 HE21 GLN 17 1HE2 GLN 17 -1.879 -8.332 -5.283 135 HE22 GLN 17 2HE2 GLN 17 -2.254 -7.087 -6.405 136 H LEU 18 H LEU 18 -3.088 -12.821 -4.102 137 HA LEU 18 HA LEU 18 -1.220 -12.024 -2.204 138 HB2 LEU 18 2HB LEU 18 -2.946 -13.710 -1.847 139 HB3 LEU 18 1HB LEU 18 -2.254 -14.729 -3.072 140 HG LEU 18 HG LEU 18 -1.995 -15.410 -0.639 141 HD11 LEU 18 1HD1 LEU 18 0.464 -15.234 -2.355 142 HD12 LEU 18 2HD1 LEU 18 -0.780 -16.487 -2.414 143 HD13 LEU 18 3HD1 LEU 18 0.234 -16.321 -0.982 144 HD21 LEU 18 1HD2 LEU 18 -1.369 -13.251 0.270 145 HD22 LEU 18 2HD2 LEU 18 0.085 -13.225 -0.722 146 HD23 LEU 18 3HD2 LEU 18 -0.088 -14.425 0.556 147 H GLU 19 H GLU 19 -0.825 -14.224 -4.968 148 HA GLU 19 HA GLU 19 1.906 -14.720 -4.649 149 HB2 GLU 19 2HB GLU 19 0.437 -16.067 -6.066 150 HB3 GLU 19 1HB GLU 19 0.232 -14.708 -7.162 151 HG2 GLU 19 2HG GLU 19 2.637 -14.756 -7.616 152 HG3 GLU 19 1HG GLU 19 2.779 -16.185 -6.598 153 H SER 20 H SER 20 0.206 -12.260 -6.604 154 HA SER 20 HA SER 20 2.516 -11.300 -7.847 155 HB2 SER 20 2HB SER 20 0.215 -10.946 -8.717 156 HB3 SER 20 1HB SER 20 -0.107 -9.862 -7.368 157 HG SER 20 HG SER 20 1.323 -9.478 -9.674 158 H ILE 21 H ILE 21 0.849 -10.237 -4.863 159 HA ILE 21 HA ILE 21 2.534 -8.028 -4.494 160 HB ILE 21 HB ILE 21 0.897 -9.599 -2.478 161 HG12 ILE 21 2HG1 ILE 21 -0.450 -8.458 -4.169 162 HG13 ILE 21 1HG1 ILE 21 -0.664 -7.712 -2.592 163 HG21 ILE 21 1HG2 ILE 21 2.272 -6.953 -2.131 164 HG22 ILE 21 2HG2 ILE 21 2.744 -8.488 -1.397 165 HG23 ILE 21 3HG2 ILE 21 1.202 -7.737 -0.953 166 HD11 ILE 21 1HD1 ILE 21 0.853 -5.898 -3.268 167 HD12 ILE 21 2HD1 ILE 21 -0.551 -6.033 -4.325 168 HD13 ILE 21 3HD1 ILE 21 1.012 -6.640 -4.864 169 H ALA 22 H ALA 22 2.707 -11.390 -3.367 170 HA ALA 22 HA ALA 22 4.923 -11.060 -1.704 171 HB1 ALA 22 1HB ALA 22 3.500 -13.056 -1.676 172 HB2 ALA 22 2HB ALA 22 5.200 -13.484 -1.860 173 HB3 ALA 22 3HB ALA 22 4.122 -13.518 -3.257 174 H TYR 23 H TYR 23 4.823 -11.882 -5.201 175 HA TYR 23 HA TYR 23 7.656 -12.053 -5.365 176 HB2 TYR 23 2HB TYR 23 5.575 -11.716 -7.520 177 HB3 TYR 23 1HB TYR 23 7.295 -11.740 -7.869 178 HD1 TYR 23 1HD TYR 23 4.602 -13.666 -8.243 179 HD2 TYR 23 2HD TYR 23 8.376 -13.878 -6.307 180 HE1 TYR 23 1HE TYR 23 4.544 -16.117 -8.398 181 HE2 TYR 23 2HE TYR 23 8.316 -16.333 -6.457 182 HH TYR 23 HH TYR 23 6.732 -18.119 -6.699 183 H SER 24 H SER 24 5.376 -9.456 -6.100 184 HA SER 24 HA SER 24 7.309 -7.694 -7.117 185 HB2 SER 24 2HB SER 24 4.647 -6.998 -5.845 186 HB3 SER 24 1HB SER 24 5.591 -5.964 -6.918 187 HG SER 24 HG SER 24 4.314 -8.416 -7.503 188 H LEU 25 H LEU 25 6.179 -8.332 -3.847 189 HA LEU 25 HA LEU 25 7.312 -6.141 -2.542 190 HB2 LEU 25 2HB LEU 25 5.707 -7.692 -1.498 191 HB3 LEU 25 1HB LEU 25 6.906 -8.963 -1.548 192 HG LEU 25 HG LEU 25 8.291 -7.725 0.066 193 HD11 LEU 25 1HD1 LEU 25 7.357 -5.801 1.244 194 HD12 LEU 25 2HD1 LEU 25 5.979 -5.790 0.139 195 HD13 LEU 25 3HD1 LEU 25 7.601 -5.455 -0.466 196 HD21 LEU 25 1HD2 LEU 25 6.720 -9.386 0.867 197 HD22 LEU 25 2HD2 LEU 25 5.440 -8.177 0.918 198 HD23 LEU 25 3HD2 LEU 25 6.816 -8.045 2.010 199 H LYS 26 H LYS 26 8.612 -9.428 -3.048 200 HA LYS 26 HA LYS 26 11.107 -8.935 -1.834 201 HB2 LYS 26 2HB LYS 26 10.454 -10.923 -4.013 202 HB3 LYS 26 1HB LYS 26 11.922 -10.948 -3.044 203 HG2 LYS 26 2HG LYS 26 10.516 -11.306 -1.037 204 HG3 LYS 26 1HG LYS 26 9.101 -11.354 -2.076 205 HD2 LYS 26 2HD LYS 26 11.437 -13.274 -2.099 206 HD3 LYS 26 1HD LYS 26 9.834 -13.594 -1.465 207 HE2 LYS 26 2HE LYS 26 9.737 -14.656 -3.522 208 HE3 LYS 26 1HE LYS 26 9.073 -13.080 -3.919 209 HZ1 LYS 26 1HZ LYS 26 11.883 -13.930 -4.374 210 HZ2 LYS 26 2HZ LYS 26 11.275 -12.442 -4.824 211 HZ3 LYS 26 3HZ LYS 26 10.719 -13.845 -5.553 212 H ASN 27 H ASN 27 10.023 -8.620 -5.119 213 HA ASN 27 HA ASN 27 12.453 -7.964 -6.365 214 HB2 ASN 27 2HB ASN 27 10.260 -8.539 -7.499 215 HB3 ASN 27 1HB ASN 27 9.674 -6.951 -7.045 216 HD21 ASN 27 1HD2 ASN 27 9.824 -8.023 -9.645 217 HD22 ASN 27 2HD2 ASN 27 10.892 -7.037 -10.570 218 H THR 28 H THR 28 9.967 -5.854 -4.972 219 HA THR 28 HA THR 28 11.282 -3.455 -5.576 220 HB THR 28 HB THR 28 9.290 -3.941 -3.345 221 HG1 THR 28 1HG THR 28 8.424 -4.640 -5.319 222 HG21 THR 28 1HG2 THR 28 8.703 -1.579 -3.688 223 HG22 THR 28 2HG2 THR 28 9.939 -1.455 -4.940 224 HG23 THR 28 3HG2 THR 28 10.410 -1.747 -3.267 225 H ILE 29 H ILE 29 11.459 -5.560 -2.706 226 HA ILE 29 HA ILE 29 12.972 -3.713 -1.144 227 HB ILE 29 HB ILE 29 13.057 -6.738 -0.757 228 HG12 ILE 29 2HG1 ILE 29 10.682 -6.026 -0.831 229 HG13 ILE 29 1HG1 ILE 29 11.169 -6.533 0.775 230 HG21 ILE 29 1HG2 ILE 29 13.505 -6.204 1.534 231 HG22 ILE 29 2HG2 ILE 29 13.371 -4.484 1.179 232 HG23 ILE 29 3HG2 ILE 29 14.681 -5.426 0.461 233 HD11 ILE 29 1HD1 ILE 29 11.365 -4.160 1.421 234 HD12 ILE 29 2HD1 ILE 29 9.746 -4.620 0.909 235 HD13 ILE 29 3HD1 ILE 29 10.787 -3.700 -0.187 236 H SER 30 H SER 30 13.861 -6.292 -3.419 237 HA SER 30 HA SER 30 16.615 -6.271 -2.753 238 HB2 SER 30 2HB SER 30 15.203 -7.278 -5.228 239 HB3 SER 30 1HB SER 30 16.837 -7.725 -4.708 240 HG SER 30 HG SER 30 14.344 -8.451 -3.713 241 H GLU 31 H GLU 31 14.629 -4.367 -4.869 242 HA GLU 31 HA GLU 31 16.859 -3.250 -6.313 243 HB2 GLU 31 2HB GLU 31 13.966 -2.386 -6.192 244 HB3 GLU 31 1HB GLU 31 15.175 -1.715 -7.276 245 HG2 GLU 31 2HG GLU 31 14.161 -4.549 -7.253 246 HG3 GLU 31 1HG GLU 31 13.775 -3.306 -8.439 247 H ALA 32 H ALA 32 15.040 -2.577 -3.475 248 HA ALA 32 HA ALA 32 15.760 0.137 -3.098 249 HB1 ALA 32 1HB ALA 32 15.033 -1.960 -1.055 250 HB2 ALA 32 2HB ALA 32 13.895 -0.932 -1.917 251 HB3 ALA 32 3HB ALA 32 15.048 -0.216 -0.788 252 H GLY 33 H GLY 33 17.024 -2.911 -1.836 253 HA2 GLY 33 2HA GLY 33 19.106 -3.543 -1.206 254 HA3 GLY 33 1HA GLY 33 19.708 -2.186 -2.137 255 H ASP 34 H ASP 34 20.321 -0.377 -1.120 256 HA ASP 34 HA ASP 34 21.128 -0.722 1.634 257 HB2 ASP 34 2HB ASP 34 21.562 1.620 -0.229 258 HB3 ASP 34 1HB ASP 34 22.294 1.435 1.350 259 H LYS 35 H LYS 35 18.558 0.713 0.017 260 HA LYS 35 HA LYS 35 18.107 2.937 1.736 261 HB2 LYS 35 2HB LYS 35 16.295 1.612 -0.272 262 HB3 LYS 35 1HB LYS 35 15.937 3.125 0.545 263 HG2 LYS 35 2HG LYS 35 17.863 4.177 -0.491 264 HG3 LYS 35 1HG LYS 35 18.314 2.649 -1.248 265 HD2 LYS 35 2HD LYS 35 16.269 2.638 -2.520 266 HD3 LYS 35 1HD LYS 35 15.724 4.118 -1.728 267 HE2 LYS 35 2HE LYS 35 16.586 4.647 -3.933 268 HE3 LYS 35 1HE LYS 35 17.663 5.310 -2.709 269 HZ1 LYS 35 1HZ LYS 35 18.128 2.779 -4.214 270 HZ2 LYS 35 2HZ LYS 35 19.173 3.467 -3.075 271 HZ3 LYS 35 3HZ LYS 35 18.868 4.258 -4.521 272 H LEU 36 H LEU 36 17.620 -0.309 2.347 273 HA LEU 36 HA LEU 36 15.699 0.378 4.444 274 HB2 LEU 36 2HB LEU 36 15.563 -2.006 2.637 275 HB3 LEU 36 1HB LEU 36 14.792 -1.984 4.205 276 HG LEU 36 HG LEU 36 14.161 -0.160 1.891 277 HD11 LEU 36 1HD1 LEU 36 12.722 -2.502 3.120 278 HD12 LEU 36 2HD1 LEU 36 13.411 -2.409 1.492 279 HD13 LEU 36 3HD1 LEU 36 12.022 -1.415 1.928 280 HD21 LEU 36 1HD2 LEU 36 12.263 0.568 3.289 281 HD22 LEU 36 2HD2 LEU 36 13.801 0.979 4.023 282 HD23 LEU 36 3HD2 LEU 36 12.882 -0.405 4.621 283 H GLU 37 H GLU 37 16.027 -0.444 6.354 284 HA GLU 37 HA GLU 37 18.396 -1.548 7.202 285 HB2 GLU 37 2HB GLU 37 15.643 -1.817 8.464 286 HB3 GLU 37 1HB GLU 37 17.155 -2.166 9.278 287 HG2 GLU 37 2HG GLU 37 16.453 -0.046 10.056 288 HG3 GLU 37 1HG GLU 37 17.766 0.258 8.929 289 H GLN 38 H GLN 38 19.139 -3.587 7.405 290 HA GLN 38 HA GLN 38 18.108 -5.476 5.603 291 HB2 GLN 38 2HB GLN 38 19.833 -7.027 6.410 292 HB3 GLN 38 1HB GLN 38 20.470 -5.454 5.983 293 HG2 GLN 38 2HG GLN 38 20.613 -4.841 8.315 294 HG3 GLN 38 1HG GLN 38 19.900 -6.382 8.783 295 HE21 GLN 38 1HE2 GLN 38 21.353 -7.957 6.840 296 HE22 GLN 38 2HE2 GLN 38 22.981 -7.987 7.382 297 H ALA 39 H ALA 39 17.605 -5.103 9.008 298 HA ALA 39 HA ALA 39 16.566 -7.659 9.527 299 HB1 ALA 39 1HB ALA 39 17.143 -6.087 11.324 300 HB2 ALA 39 2HB ALA 39 15.476 -6.643 11.474 301 HB3 ALA 39 3HB ALA 39 15.818 -5.036 10.830 302 H ASP 40 H ASP 40 14.866 -4.659 8.704 303 HA ASP 40 HA ASP 40 12.333 -5.910 8.525 304 HB2 ASP 40 2HB ASP 40 13.295 -3.287 7.383 305 HB3 ASP 40 1HB ASP 40 11.641 -3.862 7.206 306 H LYS 41 H LYS 41 14.817 -5.247 6.218 307 HA LYS 41 HA LYS 41 13.622 -5.964 3.829 308 HB2 LYS 41 2HB LYS 41 15.847 -5.041 3.925 309 HB3 LYS 41 1HB LYS 41 16.422 -6.424 4.838 310 HG2 LYS 41 2HG LYS 41 16.007 -7.860 2.882 311 HG3 LYS 41 1HG LYS 41 15.530 -6.454 1.950 312 HD2 LYS 41 2HD LYS 41 18.233 -6.871 3.241 313 HD3 LYS 41 1HD LYS 41 17.872 -7.092 1.532 314 HE2 LYS 41 2HE LYS 41 17.315 -4.718 1.338 315 HE3 LYS 41 1HE LYS 41 17.629 -4.492 3.054 316 HZ1 LYS 41 1HZ LYS 41 19.504 -3.818 1.663 317 HZ2 LYS 41 2HZ LYS 41 19.659 -5.384 1.076 318 HZ3 LYS 41 3HZ LYS 41 19.935 -5.064 2.693 319 H ASP 42 H ASP 42 15.202 -8.024 6.265 320 HA ASP 42 HA ASP 42 14.686 -10.405 4.747 321 HB2 ASP 42 2HB ASP 42 16.721 -10.109 6.162 322 HB3 ASP 42 1HB ASP 42 15.688 -10.114 7.582 323 H THR 43 H THR 43 13.010 -8.617 7.167 324 HA THR 43 HA THR 43 11.345 -10.718 8.060 325 HB THR 43 HB THR 43 10.732 -7.743 7.985 326 HG1 THR 43 1HG THR 43 12.501 -9.213 9.431 327 HG21 THR 43 1HG2 THR 43 9.232 -8.234 9.873 328 HG22 THR 43 2HG2 THR 43 9.633 -9.947 9.753 329 HG23 THR 43 3HG2 THR 43 8.760 -9.151 8.443 330 H VAL 44 H VAL 44 10.813 -8.130 5.652 331 HA VAL 44 HA VAL 44 8.271 -9.045 4.848 332 HB VAL 44 HB VAL 44 8.791 -7.776 2.653 333 HG11 VAL 44 1HG1 VAL 44 8.312 -5.616 3.784 334 HG12 VAL 44 2HG1 VAL 44 8.744 -6.367 5.320 335 HG13 VAL 44 3HG1 VAL 44 7.326 -6.929 4.433 336 HG21 VAL 44 1HG2 VAL 44 10.501 -6.029 2.868 337 HG22 VAL 44 2HG2 VAL 44 11.199 -7.650 2.873 338 HG23 VAL 44 3HG2 VAL 44 11.040 -6.752 4.379 339 H THR 45 H THR 45 11.384 -9.555 3.323 340 HA THR 45 HA THR 45 10.350 -11.031 1.211 341 HB THR 45 HB THR 45 12.596 -11.864 0.923 342 HG1 THR 45 1HG THR 45 13.468 -9.937 2.853 343 HG21 THR 45 1HG2 THR 45 12.265 -8.872 1.215 344 HG22 THR 45 2HG2 THR 45 11.893 -9.848 -0.206 345 HG23 THR 45 3HG2 THR 45 13.567 -9.636 0.304 346 H LYS 46 H LYS 46 11.606 -12.097 4.338 347 HA LYS 46 HA LYS 46 11.598 -14.873 3.874 348 HB2 LYS 46 2HB LYS 46 12.536 -13.843 5.881 349 HB3 LYS 46 1HB LYS 46 10.917 -13.470 6.464 350 HG2 LYS 46 2HG LYS 46 10.460 -15.944 6.408 351 HG3 LYS 46 1HG LYS 46 12.174 -16.175 6.092 352 HD2 LYS 46 2HD LYS 46 10.991 -14.834 8.537 353 HD3 LYS 46 1HD LYS 46 11.593 -16.481 8.473 354 HE2 LYS 46 2HE LYS 46 13.289 -15.217 9.491 355 HE3 LYS 46 1HE LYS 46 13.847 -15.492 7.848 356 HZ1 LYS 46 1HZ LYS 46 12.737 -12.952 8.974 357 HZ2 LYS 46 2HZ LYS 46 13.044 -13.166 7.338 358 HZ3 LYS 46 3HZ LYS 46 14.303 -13.234 8.416 359 H LYS 47 H LYS 47 9.070 -12.745 5.115 360 HA LYS 47 HA LYS 47 7.105 -14.723 5.364 361 HB2 LYS 47 2HB LYS 47 6.798 -12.619 6.528 362 HB3 LYS 47 1HB LYS 47 6.927 -11.710 5.038 363 HG2 LYS 47 2HG LYS 47 4.622 -11.774 5.887 364 HG3 LYS 47 1HG LYS 47 4.757 -12.540 4.306 365 HD2 LYS 47 2HD LYS 47 4.803 -14.746 5.410 366 HD3 LYS 47 1HD LYS 47 4.615 -13.943 6.972 367 HE2 LYS 47 2HE LYS 47 2.440 -13.143 6.364 368 HE3 LYS 47 1HE LYS 47 2.647 -13.689 4.699 369 HZ1 LYS 47 1HZ LYS 47 2.587 -15.501 7.051 370 HZ2 LYS 47 2HZ LYS 47 2.629 -15.959 5.438 371 HZ3 LYS 47 3HZ LYS 47 1.249 -15.208 6.083 372 H ALA 48 H ALA 48 7.996 -12.597 2.733 373 HA ALA 48 HA ALA 48 5.895 -13.323 0.972 374 HB1 ALA 48 1HB ALA 48 7.328 -12.364 -0.785 375 HB2 ALA 48 2HB ALA 48 8.699 -12.355 0.335 376 HB3 ALA 48 3HB ALA 48 7.302 -11.331 0.643 377 H GLU 49 H GLU 49 9.111 -14.687 1.439 378 HA GLU 49 HA GLU 49 8.751 -16.593 -0.630 379 HB2 GLU 49 2HB GLU 49 10.744 -16.578 1.645 380 HB3 GLU 49 1HB GLU 49 10.803 -17.653 0.251 381 HG2 GLU 49 2HG GLU 49 10.953 -15.667 -1.214 382 HG3 GLU 49 1HG GLU 49 11.032 -14.662 0.222 383 H GLU 50 H GLU 50 8.041 -16.563 2.800 384 HA GLU 50 HA GLU 50 7.475 -19.355 2.899 385 HB2 GLU 50 2HB GLU 50 6.752 -19.040 5.179 386 HB3 GLU 50 1HB GLU 50 7.926 -17.768 4.916 387 HG2 GLU 50 2HG GLU 50 6.236 -16.815 6.183 388 HG3 GLU 50 1HG GLU 50 6.063 -16.207 4.541 389 H THR 51 H THR 51 5.748 -16.505 2.073 390 HA THR 51 HA THR 51 3.230 -17.605 1.875 391 HB THR 51 HB THR 51 4.479 -15.193 0.592 392 HG1 THR 51 1HG THR 51 3.675 -15.786 3.049 393 HG21 THR 51 1HG2 THR 51 2.196 -14.419 0.194 394 HG22 THR 51 2HG2 THR 51 1.578 -15.962 0.786 395 HG23 THR 51 3HG2 THR 51 2.531 -15.902 -0.698 396 H ILE 52 H ILE 52 5.804 -17.168 -0.492 397 HA ILE 52 HA ILE 52 4.453 -18.156 -2.760 398 HB ILE 52 HB ILE 52 7.422 -18.204 -2.146 399 HG12 ILE 52 2HG1 ILE 52 6.594 -15.939 -2.169 400 HG13 ILE 52 1HG1 ILE 52 7.512 -16.213 -3.646 401 HG21 ILE 52 1HG2 ILE 52 6.944 -19.824 -3.888 402 HG22 ILE 52 2HG2 ILE 52 7.808 -18.438 -4.554 403 HG23 ILE 52 3HG2 ILE 52 6.069 -18.596 -4.808 404 HD11 ILE 52 1HD1 ILE 52 5.556 -14.937 -4.124 405 HD12 ILE 52 2HD1 ILE 52 4.529 -16.130 -3.337 406 HD13 ILE 52 3HD1 ILE 52 5.370 -16.541 -4.844 407 H SER 53 H SER 53 6.550 -19.806 -0.424 408 HA SER 53 HA SER 53 6.279 -22.333 -1.624 409 HB2 SER 53 2HB SER 53 7.152 -23.134 0.647 410 HB3 SER 53 1HB SER 53 8.181 -22.017 -0.249 411 HG SER 53 HG SER 53 7.789 -20.477 1.145 412 H TRP 54 H TRP 54 4.477 -20.692 0.942 413 HA TRP 54 HA TRP 54 2.837 -22.791 1.753 414 HB2 TRP 54 2HB TRP 54 2.906 -20.563 2.887 415 HB3 TRP 54 1HB TRP 54 2.066 -19.861 1.512 416 HD1 TRP 54 HD TRP 54 1.465 -21.913 4.658 417 HE1 TRP 54 1HE TRP 54 -1.086 -22.186 5.012 418 HE3 TRP 54 3HE TRP 54 -0.224 -19.979 0.233 419 HZ2 TRP 54 2HZ TRP 54 -3.442 -21.672 3.628 420 HZ3 TRP 54 3HZ TRP 54 -2.645 -19.905 -0.167 421 HH2 TRP 54 HH TRP 54 -4.217 -20.727 1.490 422 H LEU 55 H LEU 55 2.429 -20.460 -0.862 423 HA LEU 55 HA LEU 55 -0.089 -21.280 -1.734 424 HB2 LEU 55 2HB LEU 55 0.976 -19.153 -2.391 425 HB3 LEU 55 1HB LEU 55 2.164 -20.019 -3.323 426 HG LEU 55 HG LEU 55 -0.779 -20.102 -4.055 427 HD11 LEU 55 1HD1 LEU 55 -0.080 -17.766 -3.957 428 HD12 LEU 55 2HD1 LEU 55 -0.321 -18.290 -5.623 429 HD13 LEU 55 3HD1 LEU 55 1.313 -18.138 -4.975 430 HD21 LEU 55 1HD2 LEU 55 0.081 -20.581 -6.296 431 HD22 LEU 55 2HD2 LEU 55 0.693 -21.767 -5.143 432 HD23 LEU 55 3HD2 LEU 55 1.737 -20.461 -5.702 433 H ASP 56 H ASP 56 3.084 -22.498 -2.623 434 HA ASP 56 HA ASP 56 2.109 -24.213 -4.703 435 HB2 ASP 56 2HB ASP 56 4.441 -23.396 -4.641 436 HB3 ASP 56 1HB ASP 56 4.714 -24.314 -3.167 437 H SER 57 H SER 57 2.589 -24.468 -1.309 438 HA SER 57 HA SER 57 2.521 -27.323 -1.293 439 HB2 SER 57 2HB SER 57 4.032 -26.030 0.165 440 HB3 SER 57 1HB SER 57 2.638 -25.315 0.959 441 HG SER 57 HG SER 57 3.683 -27.881 1.083 442 H ASN 58 H ASN 58 0.284 -24.661 -0.767 443 HA ASN 58 HA ASN 58 -1.707 -26.562 0.253 444 HB2 ASN 58 2HB ASN 58 -1.087 -23.793 1.287 445 HB3 ASN 58 1HB ASN 58 -2.545 -24.681 1.716 446 HD21 ASN 58 1HD2 ASN 58 -0.209 -23.760 3.300 447 HD22 ASN 58 2HD2 ASN 58 0.383 -25.173 4.089 448 H THR 59 H THR 59 -1.432 -25.793 -2.426 449 HA THR 59 HA THR 59 -2.864 -23.625 -3.312 450 HB THR 59 HB THR 59 -2.769 -26.263 -4.738 451 HG1 THR 59 1HG THR 59 -0.650 -24.496 -4.003 452 HG21 THR 59 1HG2 THR 59 -2.298 -23.412 -5.538 453 HG22 THR 59 2HG2 THR 59 -3.810 -24.292 -5.791 454 HG23 THR 59 3HG2 THR 59 -2.332 -24.795 -6.638 455 H THR 60 H THR 60 -3.995 -26.718 -2.084 456 HA THR 60 HA THR 60 -6.587 -26.562 -3.311 457 HB THR 60 HB THR 60 -5.366 -28.724 -2.851 458 HG1 THR 60 1HG THR 60 -7.594 -28.660 -3.279 459 HG21 THR 60 1HG2 THR 60 -4.615 -28.177 -0.619 460 HG22 THR 60 2HG2 THR 60 -5.602 -29.657 -0.583 461 HG23 THR 60 3HG2 THR 60 -6.289 -28.095 -0.083 462 H ALA 61 H ALA 61 -5.302 -24.972 -0.680 463 HA ALA 61 HA ALA 61 -7.448 -25.162 1.191 464 HB1 ALA 61 1HB ALA 61 -5.204 -24.406 1.857 465 HB2 ALA 61 2HB ALA 61 -6.428 -23.198 2.247 466 HB3 ALA 61 3HB ALA 61 -5.387 -22.975 0.841 467 H SER 62 H SER 62 -8.974 -23.364 1.700 468 HA SER 62 HA SER 62 -10.152 -22.529 -0.760 469 HB2 SER 62 2HB SER 62 -11.474 -23.299 1.265 470 HB3 SER 62 1HB SER 62 -11.051 -21.762 2.020 471 HG SER 62 HG SER 62 -12.931 -21.334 1.067 472 H LYS 63 H LYS 63 -11.093 -20.169 -0.695 473 HA LYS 63 HA LYS 63 -8.816 -18.599 -1.198 474 HB2 LYS 63 2HB LYS 63 -10.337 -16.810 -1.860 475 HB3 LYS 63 1HB LYS 63 -10.785 -18.355 -2.561 476 HG2 LYS 63 2HG LYS 63 -12.822 -17.392 -2.030 477 HG3 LYS 63 1HG LYS 63 -12.518 -18.449 -0.654 478 HD2 LYS 63 2HD LYS 63 -11.755 -16.576 0.672 479 HD3 LYS 63 1HD LYS 63 -11.888 -15.500 -0.719 480 HE2 LYS 63 2HE LYS 63 -14.300 -15.868 -0.776 481 HE3 LYS 63 1HE LYS 63 -14.172 -16.956 0.603 482 HZ1 LYS 63 1HZ LYS 63 -13.348 -15.132 1.924 483 HZ2 LYS 63 2HZ LYS 63 -14.861 -14.740 1.274 484 HZ3 LYS 63 3HZ LYS 63 -13.468 -14.069 0.622 485 H GLU 64 H GLU 64 -10.835 -18.848 1.516 486 HA GLU 64 HA GLU 64 -10.234 -16.504 2.910 487 HB2 GLU 64 2HB GLU 64 -10.768 -19.273 3.960 488 HB3 GLU 64 1HB GLU 64 -10.636 -17.854 4.988 489 HG2 GLU 64 2HG GLU 64 -12.599 -18.147 2.752 490 HG3 GLU 64 1HG GLU 64 -12.955 -18.511 4.443 491 H GLU 65 H GLU 65 -8.339 -19.430 2.574 492 HA GLU 65 HA GLU 65 -6.470 -18.665 4.579 493 HB2 GLU 65 2HB GLU 65 -6.300 -20.731 2.391 494 HB3 GLU 65 1HB GLU 65 -5.096 -20.507 3.659 495 HG2 GLU 65 2HG GLU 65 -7.977 -21.268 4.078 496 HG3 GLU 65 1HG GLU 65 -6.590 -22.356 4.175 497 H PHE 66 H PHE 66 -6.588 -18.442 1.072 498 HA PHE 66 HA PHE 66 -4.005 -17.307 0.749 499 HB2 PHE 66 2HB PHE 66 -6.470 -17.129 -1.006 500 HB3 PHE 66 1HB PHE 66 -4.891 -16.510 -1.472 501 HD1 PHE 66 1HD PHE 66 -3.162 -17.981 -2.205 502 HD2 PHE 66 2HD PHE 66 -6.855 -19.545 -0.795 503 HE1 PHE 66 1HE PHE 66 -2.578 -20.190 -3.118 504 HE2 PHE 66 2HE PHE 66 -6.274 -21.748 -1.703 505 HZ PHE 66 HZ PHE 66 -4.138 -22.073 -2.866 506 H ASP 67 H ASP 67 -7.223 -15.977 1.153 507 HA ASP 67 HA ASP 67 -6.576 -13.245 0.950 508 HB2 ASP 67 2HB ASP 67 -8.869 -14.189 0.757 509 HB3 ASP 67 1HB ASP 67 -8.835 -14.577 2.469 510 H ASP 68 H ASP 68 -6.443 -15.546 3.578 511 HA ASP 68 HA ASP 68 -6.002 -13.649 5.650 512 HB2 ASP 68 2HB ASP 68 -6.662 -15.959 6.208 513 HB3 ASP 68 1HB ASP 68 -5.127 -16.549 5.575 514 H LYS 69 H LYS 69 -3.775 -15.683 3.759 515 HA LYS 69 HA LYS 69 -1.445 -14.681 4.898 516 HB2 LYS 69 2HB LYS 69 -1.962 -16.027 2.287 517 HB3 LYS 69 1HB LYS 69 -0.431 -15.212 2.502 518 HG2 LYS 69 2HG LYS 69 -0.035 -17.483 2.996 519 HG3 LYS 69 1HG LYS 69 -0.076 -16.660 4.546 520 HD2 LYS 69 2HD LYS 69 -2.506 -17.977 3.441 521 HD3 LYS 69 1HD LYS 69 -1.278 -18.946 4.266 522 HE2 LYS 69 2HE LYS 69 -2.807 -16.611 5.398 523 HE3 LYS 69 1HE LYS 69 -3.181 -18.297 5.708 524 HZ1 LYS 69 1HZ LYS 69 -0.878 -18.444 6.685 525 HZ2 LYS 69 2HZ LYS 69 -1.999 -17.483 7.499 526 HZ3 LYS 69 3HZ LYS 69 -0.816 -16.743 6.580 527 H LEU 70 H LEU 70 -3.344 -13.531 2.196 528 HA LEU 70 HA LEU 70 -1.660 -11.474 1.326 529 HB2 LEU 70 2HB LEU 70 -3.611 -12.311 0.051 530 HB3 LEU 70 1HB LEU 70 -4.688 -11.659 1.250 531 HG LEU 70 HG LEU 70 -4.587 -10.401 -0.926 532 HD11 LEU 70 1HD1 LEU 70 -5.492 -9.311 1.016 533 HD12 LEU 70 2HD1 LEU 70 -4.575 -8.159 0.040 534 HD13 LEU 70 3HD1 LEU 70 -3.879 -8.818 1.521 535 HD21 LEU 70 1HD2 LEU 70 -2.220 -10.543 -1.398 536 HD22 LEU 70 2HD2 LEU 70 -1.840 -9.613 0.048 537 HD23 LEU 70 3HD2 LEU 70 -2.700 -8.852 -1.285 538 H LYS 71 H LYS 71 -4.246 -11.420 3.764 539 HA LYS 71 HA LYS 71 -3.862 -8.675 4.322 540 HB2 LYS 71 2HB LYS 71 -5.205 -10.781 6.024 541 HB3 LYS 71 1HB LYS 71 -5.217 -9.063 6.391 542 HG2 LYS 71 2HG LYS 71 -6.317 -8.677 4.174 543 HG3 LYS 71 1HG LYS 71 -6.450 -10.423 3.998 544 HD2 LYS 71 2HD LYS 71 -7.691 -8.749 6.196 545 HD3 LYS 71 1HD LYS 71 -8.537 -9.439 4.817 546 HE2 LYS 71 2HE LYS 71 -7.167 -10.991 7.022 547 HE3 LYS 71 1HE LYS 71 -8.900 -10.747 6.838 548 HZ1 LYS 71 1HZ LYS 71 -8.781 -11.967 4.718 549 HZ2 LYS 71 2HZ LYS 71 -8.288 -12.896 6.012 550 HZ3 LYS 71 3HZ LYS 71 -7.146 -12.229 4.956 551 H GLU 72 H GLU 72 -2.435 -11.574 5.668 552 HA GLU 72 HA GLU 72 -1.016 -10.388 7.812 553 HB2 GLU 72 2HB GLU 72 -0.038 -12.604 6.023 554 HB3 GLU 72 1HB GLU 72 0.568 -12.207 7.613 555 HG2 GLU 72 2HG GLU 72 -1.608 -12.887 8.547 556 HG3 GLU 72 1HG GLU 72 -2.103 -13.362 6.919 557 H LEU 73 H LEU 73 -0.131 -11.052 4.458 558 HA LEU 73 HA LEU 73 2.447 -10.043 4.487 559 HB2 LEU 73 2HB LEU 73 1.356 -11.518 2.780 560 HB3 LEU 73 1HB LEU 73 0.494 -10.121 2.194 561 HG LEU 73 HG LEU 73 2.629 -9.092 1.519 562 HD11 LEU 73 1HD1 LEU 73 4.663 -10.461 1.548 563 HD12 LEU 73 2HD1 LEU 73 3.794 -11.717 2.434 564 HD13 LEU 73 3HD1 LEU 73 4.077 -10.146 3.183 565 HD21 LEU 73 1HD2 LEU 73 1.343 -10.438 -0.048 566 HD22 LEU 73 2HD2 LEU 73 2.169 -11.891 0.512 567 HD23 LEU 73 3HD2 LEU 73 3.075 -10.630 -0.330 568 H GLN 74 H GLN 74 -0.641 -8.498 3.734 569 HA GLN 74 HA GLN 74 0.428 -5.964 3.033 570 HB2 GLN 74 2HB GLN 74 -2.323 -6.654 4.082 571 HB3 GLN 74 1HB GLN 74 -1.870 -5.100 3.405 572 HG2 GLN 74 2HG GLN 74 -1.892 -7.732 1.944 573 HG3 GLN 74 1HG GLN 74 -3.095 -6.454 1.801 574 HE21 GLN 74 1HE2 GLN 74 0.113 -7.454 1.036 575 HE22 GLN 74 2HE2 GLN 74 0.420 -6.243 -0.160 576 H ASP 75 H ASP 75 -0.419 -7.435 6.072 577 HA ASP 75 HA ASP 75 -0.365 -4.996 7.584 578 HB2 ASP 75 2HB ASP 75 -1.697 -6.964 8.311 579 HB3 ASP 75 1HB ASP 75 -0.202 -7.852 8.564 580 H ILE 76 H ILE 76 1.791 -7.774 7.320 581 HA ILE 76 HA ILE 76 3.822 -6.868 9.036 582 HB ILE 76 HB ILE 76 4.087 -8.690 6.623 583 HG12 ILE 76 2HG1 ILE 76 2.466 -9.567 8.229 584 HG13 ILE 76 1HG1 ILE 76 3.920 -10.553 8.233 585 HG21 ILE 76 1HG2 ILE 76 6.115 -9.580 7.696 586 HG22 ILE 76 2HG2 ILE 76 5.970 -8.358 8.958 587 HG23 ILE 76 3HG2 ILE 76 6.271 -7.869 7.293 588 HD11 ILE 76 1HD1 ILE 76 4.649 -9.436 10.288 589 HD12 ILE 76 2HD1 ILE 76 3.089 -10.237 10.470 590 HD13 ILE 76 3HD1 ILE 76 3.162 -8.486 10.290 591 H ALA 77 H ALA 77 3.368 -6.396 5.571 592 HA ALA 77 HA ALA 77 5.878 -5.021 5.331 593 HB1 ALA 77 1HB ALA 77 3.695 -5.379 3.291 594 HB2 ALA 77 2HB ALA 77 5.071 -6.456 3.523 595 HB3 ALA 77 3HB ALA 77 5.331 -4.796 2.984 596 H ASN 78 H ASN 78 2.856 -4.068 6.421 597 HA ASN 78 HA ASN 78 2.501 -1.661 5.038 598 HB2 ASN 78 2HB ASN 78 0.634 -2.598 6.284 599 HB3 ASN 78 1HB ASN 78 1.452 -2.360 7.811 600 HD21 ASN 78 1HD2 ASN 78 -0.365 -0.863 5.273 601 HD22 ASN 78 2HD2 ASN 78 -0.576 0.655 6.033 602 HA PRO 79 HA PRO 79 4.742 0.818 8.495 603 HB2 PRO 79 2HB PRO 79 6.405 -1.159 9.925 604 HB3 PRO 79 1HB PRO 79 5.370 0.108 10.594 605 HG2 PRO 79 2HG PRO 79 4.693 -2.461 10.805 606 HG3 PRO 79 1HG PRO 79 3.466 -1.223 10.482 607 HD2 PRO 79 2HD PRO 79 4.813 -3.081 8.553 608 HD3 PRO 79 1HD PRO 79 3.088 -2.706 8.715 609 H ILE 80 H ILE 80 6.327 -2.018 7.210 610 HA ILE 80 HA ILE 80 8.899 -0.842 6.921 611 HB ILE 80 HB ILE 80 7.698 -3.297 5.582 612 HG12 ILE 80 2HG1 ILE 80 9.532 -3.042 7.975 613 HG13 ILE 80 1HG1 ILE 80 7.798 -3.295 8.062 614 HG21 ILE 80 1HG2 ILE 80 10.032 -3.963 5.130 615 HG22 ILE 80 2HG2 ILE 80 10.595 -2.425 5.784 616 HG23 ILE 80 3HG2 ILE 80 9.632 -2.453 4.309 617 HD11 ILE 80 1HD1 ILE 80 9.065 -5.346 8.428 618 HD12 ILE 80 2HD1 ILE 80 9.777 -5.194 6.819 619 HD13 ILE 80 3HD1 ILE 80 8.034 -5.442 7.005 620 H MET 81 H MET 81 6.074 -1.125 4.851 621 HA MET 81 HA MET 81 7.407 0.058 2.661 622 HB2 MET 81 2HB MET 81 4.594 -0.733 3.158 623 HB3 MET 81 1HB MET 81 4.932 0.413 1.859 624 HG2 MET 81 2HG MET 81 6.184 -2.297 2.177 625 HG3 MET 81 1HG MET 81 4.908 -1.867 1.025 626 HE1 MET 81 1HE MET 81 8.134 -2.253 -1.203 627 HE2 MET 81 2HE MET 81 6.548 -2.936 -0.794 628 HE3 MET 81 3HE MET 81 7.909 -3.089 0.329 629 H SER 82 H SER 82 5.768 1.335 5.394 630 HA SER 82 HA SER 82 5.421 3.938 4.387 631 HB2 SER 82 2HB SER 82 5.992 3.053 7.236 632 HB3 SER 82 1HB SER 82 5.307 4.608 6.757 633 HG SER 82 HG SER 82 3.854 2.797 5.598 634 H LYS 83 H LYS 83 8.142 2.143 5.576 635 HA LYS 83 HA LYS 83 9.956 4.332 5.619 636 HB2 LYS 83 2HB LYS 83 10.503 1.369 5.365 637 HB3 LYS 83 1HB LYS 83 11.725 2.596 5.631 638 HG2 LYS 83 2HG LYS 83 10.670 3.126 7.794 639 HG3 LYS 83 1HG LYS 83 9.520 1.812 7.526 640 HD2 LYS 83 2HD LYS 83 11.317 0.197 7.461 641 HD3 LYS 83 1HD LYS 83 12.523 1.475 7.582 642 HE2 LYS 83 2HE LYS 83 11.485 2.086 9.796 643 HE3 LYS 83 1HE LYS 83 10.530 0.610 9.657 644 HZ1 LYS 83 1HZ LYS 83 12.600 0.343 10.982 645 HZ2 LYS 83 2HZ LYS 83 13.488 0.672 9.575 646 HZ3 LYS 83 3HZ LYS 83 12.543 -0.702 9.656 647 H LEU 84 H LEU 84 9.387 1.621 3.312 648 HA LEU 84 HA LEU 84 11.404 2.540 1.608 649 HB2 LEU 84 2HB LEU 84 10.855 0.195 1.783 650 HB3 LEU 84 1HB LEU 84 9.297 0.488 1.042 651 HG LEU 84 HG LEU 84 10.369 1.155 -1.051 652 HD11 LEU 84 1HD1 LEU 84 12.959 0.545 0.358 653 HD12 LEU 84 2HD1 LEU 84 12.404 2.135 -0.175 654 HD13 LEU 84 3HD1 LEU 84 12.780 0.892 -1.359 655 HD21 LEU 84 1HD2 LEU 84 9.840 -1.190 -0.765 656 HD22 LEU 84 2HD2 LEU 84 11.395 -1.468 0.017 657 HD23 LEU 84 3HD2 LEU 84 11.339 -1.005 -1.678 658 H TYR 85 H TYR 85 7.895 3.070 1.435 659 HA TYR 85 HA TYR 85 7.969 3.806 -1.247 660 HB2 TYR 85 2HB TYR 85 6.001 4.588 0.885 661 HB3 TYR 85 1HB TYR 85 5.857 5.165 -0.772 662 HD1 TYR 85 1HD TYR 85 6.618 2.846 -2.358 663 HD2 TYR 85 2HD TYR 85 4.268 3.052 1.184 664 HE1 TYR 85 1HE TYR 85 5.485 0.787 -3.005 665 HE2 TYR 85 2HE TYR 85 3.127 0.976 0.535 666 HH TYR 85 HH TYR 85 4.317 -1.025 -1.884 667 H GLN 86 H GLN 86 8.511 5.825 1.531 668 HA GLN 86 HA GLN 86 8.885 8.107 -0.176 669 HB2 GLN 86 2HB GLN 86 9.649 9.236 1.960 670 HB3 GLN 86 1HB GLN 86 7.986 8.662 1.918 671 HG2 GLN 86 2HG GLN 86 8.620 6.711 3.227 672 HG3 GLN 86 1HG GLN 86 10.298 7.249 3.234 673 HE21 GLN 86 1HE2 GLN 86 8.325 6.770 5.344 674 HE22 GLN 86 2HE2 GLN 86 8.297 8.198 6.316 675 H ALA 87 H ALA 87 10.959 5.751 1.352 676 HA ALA 87 HA ALA 87 13.350 7.307 0.872 677 HB1 ALA 87 1HB ALA 87 13.145 5.922 2.882 678 HB2 ALA 87 2HB ALA 87 14.557 5.489 1.917 679 HB3 ALA 87 3HB ALA 87 13.111 4.479 1.870 680 H GLY 88 H GLY 88 11.640 4.773 -0.857 681 HA2 GLY 88 2HA GLY 88 13.729 4.816 -2.873 682 HA3 GLY 88 1HA GLY 88 13.263 3.265 -2.175 683 H GLY 89 H GLY 89 11.686 6.171 -3.275 684 HA2 GLY 89 2HA GLY 89 10.222 4.885 -5.299 685 HA3 GLY 89 1HA GLY 89 9.298 5.087 -3.793 686 H ALA 90 H ALA 90 8.788 7.054 -3.051 687 HA ALA 90 HA ALA 90 9.635 9.546 -3.979 688 HB1 ALA 90 1HB ALA 90 6.963 8.590 -5.078 689 HB2 ALA 90 2HB ALA 90 8.391 8.960 -6.043 690 HB3 ALA 90 3HB ALA 90 7.564 10.246 -5.160 691 HA PRO 91 HA PRO 91 7.915 10.391 0.047 692 HB2 PRO 91 2HB PRO 91 6.788 12.820 -1.301 693 HB3 PRO 91 1HB PRO 91 7.627 12.694 0.252 694 HG2 PRO 91 2HG PRO 91 8.935 13.585 -1.859 695 HG3 PRO 91 1HG PRO 91 9.714 12.448 -0.746 696 HD2 PRO 91 2HD PRO 91 8.625 11.965 -3.480 697 HD3 PRO 91 1HD PRO 91 10.017 11.221 -2.667 698 H GLY 92 H GLY 92 5.764 11.146 -2.650 699 HA2 GLY 92 2HA GLY 92 3.644 10.299 -3.075 700 HA3 GLY 92 1HA GLY 92 3.696 9.456 -1.527 701 H GLY 93 H GLY 93 3.939 12.794 -2.587 702 HA2 GLY 93 2HA GLY 93 1.507 13.584 -1.399 703 HA3 GLY 93 1HA GLY 93 2.853 13.955 -0.328 704 H ALA 94 H ALA 94 4.306 15.519 -0.883 705 HA ALA 94 HA ALA 94 3.350 17.320 -2.981 706 HB1 ALA 94 1HB ALA 94 4.553 19.077 -1.784 707 HB2 ALA 94 2HB ALA 94 5.151 17.893 -0.624 708 HB3 ALA 94 3HB ALA 94 3.427 18.248 -0.708 709 H ALA 95 H ALA 95 6.472 16.515 -1.472 710 HA ALA 95 HA ALA 95 8.560 16.209 -2.237 711 HB1 ALA 95 1HB ALA 95 8.905 15.127 -4.415 712 HB2 ALA 95 2HB ALA 95 7.246 15.502 -4.877 713 HB3 ALA 95 3HB ALA 95 7.558 14.372 -3.562 714 H GLY 96 H GLY 96 7.209 18.768 -2.443 715 HA2 GLY 96 2HA GLY 96 8.462 19.980 -4.791 716 HA3 GLY 96 1HA GLY 96 7.203 20.717 -3.804 717 H GLY 97 H GLY 97 10.432 20.710 -4.479 718 HA2 GLY 97 2HA GLY 97 11.197 22.797 -3.021 719 HA3 GLY 97 1HA GLY 97 11.348 21.474 -1.865 720 H ALA 98 H ALA 98 13.583 22.786 -2.558 721 HA ALA 98 HA ALA 98 15.005 20.702 -3.971 722 HB1 ALA 98 1HB ALA 98 16.195 22.291 -5.399 723 HB2 ALA 98 2HB ALA 98 15.195 23.606 -4.772 724 HB3 ALA 98 3HB ALA 98 14.461 22.315 -5.722 725 HA PRO 99 HA PRO 99 17.561 22.069 -0.463 726 HB2 PRO 99 2HB PRO 99 18.520 19.415 -0.137 727 HB3 PRO 99 1HB PRO 99 17.291 20.223 0.836 728 HG2 PRO 99 2HG PRO 99 16.887 18.043 -0.891 729 HG3 PRO 99 1HG PRO 99 15.633 19.034 -0.142 730 HD2 PRO 99 2HD PRO 99 16.685 19.109 -2.919 731 HD3 PRO 99 1HD PRO 99 15.093 19.561 -2.285 732 H GLY 100 H GLY 100 18.160 22.033 -3.285 733 HA2 GLY 100 2HA GLY 100 20.679 22.655 -3.691 734 HA3 GLY 100 1HA GLY 100 20.794 20.887 -3.656 735 H GLY 101 H GLY 101 18.623 19.989 -4.736 736 HA2 GLY 101 2HA GLY 101 17.608 21.366 -6.965 737 HA3 GLY 101 1HA GLY 101 18.790 20.132 -7.433 Start of MODEL 19 1 H1 SER 1 1HT SER 1 -21.272 -25.020 -12.555 2 H2 SER 1 2HT SER 1 -20.619 -24.278 -11.190 3 H3 SER 1 3HT SER 1 -20.228 -23.660 -12.687 4 HA SER 1 HA SER 1 -22.623 -23.122 -12.960 5 HB2 SER 1 2HB SER 1 -22.653 -23.839 -10.026 6 HB3 SER 1 1HB SER 1 -24.031 -23.381 -11.036 7 HG SER 1 HG SER 1 -23.352 -25.750 -10.551 8 H LYS 2 H LYS 2 -23.283 -20.959 -12.117 9 HA LYS 2 HA LYS 2 -21.106 -19.264 -12.306 10 HB2 LYS 2 2HB LYS 2 -23.901 -18.743 -11.342 11 HB3 LYS 2 1HB LYS 2 -22.706 -17.477 -11.440 12 HG2 LYS 2 2HG LYS 2 -24.147 -17.413 -13.362 13 HG3 LYS 2 1HG LYS 2 -22.523 -17.853 -13.865 14 HD2 LYS 2 2HD LYS 2 -23.219 -20.180 -14.027 15 HD3 LYS 2 1HD LYS 2 -24.832 -19.745 -13.448 16 HE2 LYS 2 2HE LYS 2 -25.166 -18.320 -15.360 17 HE3 LYS 2 1HE LYS 2 -23.537 -18.668 -15.941 18 HZ1 LYS 2 1HZ LYS 2 -25.205 -19.961 -17.077 19 HZ2 LYS 2 2HZ LYS 2 -25.721 -20.643 -15.626 20 HZ3 LYS 2 3HZ LYS 2 -24.166 -20.964 -16.216 21 H GLU 3 H GLU 3 -22.930 -19.993 -9.380 22 HA GLU 3 HA GLU 3 -21.333 -18.224 -7.818 23 HB2 GLU 3 2HB GLU 3 -22.549 -19.062 -5.859 24 HB3 GLU 3 1HB GLU 3 -23.648 -18.623 -7.149 25 HG2 GLU 3 2HG GLU 3 -22.842 -21.418 -6.339 26 HG3 GLU 3 1HG GLU 3 -24.382 -20.631 -6.006 27 H GLU 4 H GLU 4 -21.399 -21.666 -8.319 28 HA GLU 4 HA GLU 4 -19.448 -22.359 -6.394 29 HB2 GLU 4 2HB GLU 4 -21.082 -23.888 -7.566 30 HB3 GLU 4 1HB GLU 4 -20.057 -23.776 -8.986 31 HG2 GLU 4 2HG GLU 4 -19.551 -25.812 -7.860 32 HG3 GLU 4 1HG GLU 4 -18.196 -24.712 -7.632 33 H ASP 5 H ASP 5 -19.290 -21.515 -9.817 34 HA ASP 5 HA ASP 5 -16.492 -21.950 -10.020 35 HB2 ASP 5 2HB ASP 5 -18.432 -20.588 -11.899 36 HB3 ASP 5 1HB ASP 5 -16.706 -20.658 -12.223 37 H GLU 6 H GLU 6 -18.464 -19.148 -9.290 38 HA GLU 6 HA GLU 6 -16.327 -17.334 -9.354 39 HB2 GLU 6 2HB GLU 6 -18.943 -17.236 -7.867 40 HB3 GLU 6 1HB GLU 6 -17.759 -15.939 -7.764 41 HG2 GLU 6 2HG GLU 6 -17.874 -15.688 -10.220 42 HG3 GLU 6 1HG GLU 6 -19.134 -16.916 -10.257 43 H LYS 7 H LYS 7 -17.426 -19.507 -6.838 44 HA LYS 7 HA LYS 7 -15.787 -18.572 -4.739 45 HB2 LYS 7 2HB LYS 7 -16.519 -21.451 -5.339 46 HB3 LYS 7 1HB LYS 7 -15.935 -20.847 -3.800 47 HG2 LYS 7 2HG LYS 7 -18.539 -20.095 -5.107 48 HG3 LYS 7 1HG LYS 7 -18.351 -21.264 -3.806 49 HD2 LYS 7 2HD LYS 7 -17.498 -19.482 -2.346 50 HD3 LYS 7 1HD LYS 7 -17.692 -18.322 -3.663 51 HE2 LYS 7 2HE LYS 7 -20.078 -18.697 -3.696 52 HE3 LYS 7 1HE LYS 7 -19.928 -19.962 -2.486 53 HZ1 LYS 7 1HZ LYS 7 -20.672 -17.953 -1.461 54 HZ2 LYS 7 2HZ LYS 7 -19.398 -17.062 -2.084 55 HZ3 LYS 7 3HZ LYS 7 -19.112 -18.257 -0.924 56 H GLU 8 H GLU 8 -15.201 -20.928 -7.282 57 HA GLU 8 HA GLU 8 -12.511 -21.469 -6.684 58 HB2 GLU 8 2HB GLU 8 -14.189 -21.774 -9.135 59 HB3 GLU 8 1HB GLU 8 -12.454 -22.044 -9.217 60 HG2 GLU 8 2HG GLU 8 -14.222 -23.423 -7.246 61 HG3 GLU 8 1HG GLU 8 -13.895 -24.085 -8.852 62 H SER 9 H SER 9 -14.000 -19.018 -8.717 63 HA SER 9 HA SER 9 -11.615 -18.092 -9.891 64 HB2 SER 9 2HB SER 9 -14.133 -16.502 -9.369 65 HB3 SER 9 1HB SER 9 -12.846 -16.124 -10.527 66 HG SER 9 HG SER 9 -14.294 -18.560 -10.602 67 H GLN 10 H GLN 10 -13.335 -17.065 -6.953 68 HA GLN 10 HA GLN 10 -11.552 -14.995 -6.268 69 HB2 GLN 10 2HB GLN 10 -13.296 -16.713 -4.490 70 HB3 GLN 10 1HB GLN 10 -12.432 -15.282 -3.951 71 HG2 GLN 10 2HG GLN 10 -14.622 -15.371 -6.015 72 HG3 GLN 10 1HG GLN 10 -14.764 -14.779 -4.362 73 HE21 GLN 10 1HE2 GLN 10 -15.236 -13.403 -6.863 74 HE22 GLN 10 2HE2 GLN 10 -14.216 -12.027 -6.870 75 H ARG 11 H ARG 11 -11.561 -18.409 -5.682 76 HA ARG 11 HA ARG 11 -9.396 -18.557 -3.883 77 HB2 ARG 11 2HB ARG 11 -11.073 -20.346 -4.308 78 HB3 ARG 11 1HB ARG 11 -10.377 -20.573 -5.895 79 HG2 ARG 11 2HG ARG 11 -8.307 -21.327 -4.909 80 HG3 ARG 11 1HG ARG 11 -8.962 -21.054 -3.287 81 HD2 ARG 11 2HD ARG 11 -10.747 -22.610 -3.720 82 HD3 ARG 11 1HD ARG 11 -10.153 -22.883 -5.354 83 HE ARG 11 HE ARG 11 -8.452 -23.511 -3.060 84 HH11 ARG 11 1HH1 ARG 11 -10.484 -24.668 -5.764 85 HH12 ARG 11 2HH1 ARG 11 -9.823 -26.231 -5.732 86 HH21 ARG 11 1HH2 ARG 11 -7.598 -25.660 -3.057 87 HH22 ARG 11 2HH2 ARG 11 -8.159 -26.810 -4.209 88 H ILE 12 H ILE 12 -9.572 -18.978 -7.403 89 HA ILE 12 HA ILE 12 -6.862 -19.367 -7.960 90 HB ILE 12 HB ILE 12 -8.983 -18.010 -9.662 91 HG12 ILE 12 2HG1 ILE 12 -7.993 -20.879 -9.674 92 HG13 ILE 12 1HG1 ILE 12 -9.528 -20.334 -9.010 93 HG21 ILE 12 1HG2 ILE 12 -7.549 -18.546 -11.598 94 HG22 ILE 12 2HG2 ILE 12 -6.312 -19.158 -10.503 95 HG23 ILE 12 3HG2 ILE 12 -6.743 -17.448 -10.474 96 HD11 ILE 12 1HD1 ILE 12 -10.251 -19.658 -11.250 97 HD12 ILE 12 2HD1 ILE 12 -9.817 -21.366 -11.192 98 HD13 ILE 12 3HD1 ILE 12 -8.706 -20.200 -11.906 99 H ALA 13 H ALA 13 -8.794 -16.410 -7.917 100 HA ALA 13 HA ALA 13 -6.812 -14.662 -8.652 101 HB1 ALA 13 1HB ALA 13 -9.180 -14.060 -8.635 102 HB2 ALA 13 2HB ALA 13 -8.225 -12.881 -7.733 103 HB3 ALA 13 3HB ALA 13 -9.180 -14.086 -6.873 104 H SER 14 H SER 14 -7.814 -15.694 -5.412 105 HA SER 14 HA SER 14 -6.038 -14.025 -4.013 106 HB2 SER 14 2HB SER 14 -7.298 -16.624 -3.131 107 HB3 SER 14 1HB SER 14 -6.562 -15.418 -2.070 108 HG SER 14 HG SER 14 -8.919 -15.262 -3.599 109 H LYS 15 H LYS 15 -5.675 -17.326 -5.272 110 HA LYS 15 HA LYS 15 -3.189 -17.978 -4.117 111 HB2 LYS 15 2HB LYS 15 -4.285 -18.705 -6.845 112 HB3 LYS 15 1HB LYS 15 -2.835 -19.400 -6.157 113 HG2 LYS 15 2HG LYS 15 -4.184 -20.385 -4.360 114 HG3 LYS 15 1HG LYS 15 -5.634 -19.683 -5.090 115 HD2 LYS 15 2HD LYS 15 -5.284 -20.953 -7.110 116 HD3 LYS 15 1HD LYS 15 -3.764 -21.595 -6.488 117 HE2 LYS 15 2HE LYS 15 -4.983 -22.755 -4.713 118 HE3 LYS 15 1HE LYS 15 -6.500 -22.094 -5.314 119 HZ1 LYS 15 1HZ LYS 15 -6.092 -24.386 -6.072 120 HZ2 LYS 15 2HZ LYS 15 -4.700 -23.862 -6.868 121 HZ3 LYS 15 3HZ LYS 15 -6.192 -23.302 -7.360 122 H ASN 16 H ASN 16 -3.989 -16.516 -7.207 123 HA ASN 16 HA ASN 16 -1.325 -16.068 -8.022 124 HB2 ASN 16 2HB ASN 16 -3.875 -14.764 -8.970 125 HB3 ASN 16 1HB ASN 16 -2.314 -14.625 -9.764 126 HD21 ASN 16 1HD2 ASN 16 -4.786 -15.677 -10.787 127 HD22 ASN 16 2HD2 ASN 16 -4.475 -17.306 -11.254 128 H GLN 17 H GLN 17 -3.641 -14.155 -6.265 129 HA GLN 17 HA GLN 17 -2.287 -11.707 -6.440 130 HB2 GLN 17 2HB GLN 17 -4.617 -11.805 -5.776 131 HB3 GLN 17 1HB GLN 17 -4.198 -12.733 -4.345 132 HG2 GLN 17 2HG GLN 17 -3.023 -10.832 -3.425 133 HG3 GLN 17 1HG GLN 17 -3.352 -9.899 -4.882 134 HE21 GLN 17 1HE2 GLN 17 -4.415 -8.347 -3.681 135 HE22 GLN 17 2HE2 GLN 17 -5.997 -8.570 -3.061 136 H LEU 18 H LEU 18 -2.153 -14.213 -3.852 137 HA LEU 18 HA LEU 18 -0.172 -12.608 -2.635 138 HB2 LEU 18 2HB LEU 18 0.254 -14.438 -0.979 139 HB3 LEU 18 1HB LEU 18 -1.385 -13.868 -1.033 140 HG LEU 18 HG LEU 18 -2.029 -15.977 -2.217 141 HD11 LEU 18 1HD1 LEU 18 0.802 -16.812 -1.614 142 HD12 LEU 18 2HD1 LEU 18 0.146 -16.514 -3.224 143 HD13 LEU 18 3HD1 LEU 18 -0.486 -17.841 -2.241 144 HD21 LEU 18 1HD2 LEU 18 -1.784 -17.409 -0.235 145 HD22 LEU 18 2HD2 LEU 18 -2.287 -15.772 0.172 146 HD23 LEU 18 3HD2 LEU 18 -0.628 -16.267 0.443 147 H GLU 19 H GLU 19 -0.040 -15.041 -4.962 148 HA GLU 19 HA GLU 19 2.712 -15.625 -4.944 149 HB2 GLU 19 2HB GLU 19 1.053 -16.859 -6.285 150 HB3 GLU 19 1HB GLU 19 0.756 -15.420 -7.240 151 HG2 GLU 19 2HG GLU 19 3.068 -15.507 -8.057 152 HG3 GLU 19 1HG GLU 19 3.314 -16.993 -7.142 153 H SER 20 H SER 20 0.857 -13.268 -6.863 154 HA SER 20 HA SER 20 3.035 -12.035 -8.100 155 HB2 SER 20 2HB SER 20 0.747 -11.918 -8.985 156 HB3 SER 20 1HB SER 20 0.229 -11.031 -7.561 157 HG SER 20 HG SER 20 0.561 -9.532 -9.023 158 H ILE 21 H ILE 21 1.161 -11.086 -5.220 159 HA ILE 21 HA ILE 21 2.631 -8.788 -4.760 160 HB ILE 21 HB ILE 21 0.721 -10.413 -3.143 161 HG12 ILE 21 2HG1 ILE 21 -0.464 -8.257 -2.934 162 HG13 ILE 21 1HG1 ILE 21 0.853 -7.460 -3.780 163 HG21 ILE 21 1HG2 ILE 21 0.987 -9.011 -1.152 164 HG22 ILE 21 2HG2 ILE 21 2.420 -8.278 -1.882 165 HG23 ILE 21 3HG2 ILE 21 2.409 -9.999 -1.492 166 HD11 ILE 21 1HD1 ILE 21 0.303 -8.737 -5.797 167 HD12 ILE 21 2HD1 ILE 21 -1.083 -7.805 -5.225 168 HD13 ILE 21 3HD1 ILE 21 -1.000 -9.540 -4.929 169 H ALA 22 H ALA 22 3.263 -12.125 -3.758 170 HA ALA 22 HA ALA 22 5.339 -11.515 -1.968 171 HB1 ALA 22 1HB ALA 22 6.019 -13.843 -2.208 172 HB2 ALA 22 2HB ALA 22 5.010 -14.005 -3.645 173 HB3 ALA 22 3HB ALA 22 4.264 -13.724 -2.073 174 H TYR 23 H TYR 23 5.422 -12.255 -5.476 175 HA TYR 23 HA TYR 23 8.242 -11.988 -5.625 176 HB2 TYR 23 2HB TYR 23 6.138 -11.840 -7.777 177 HB3 TYR 23 1HB TYR 23 7.852 -11.647 -8.110 178 HD1 TYR 23 1HD TYR 23 5.221 -13.986 -7.934 179 HD2 TYR 23 2HD TYR 23 9.371 -13.549 -7.155 180 HE1 TYR 23 1HE TYR 23 5.497 -16.429 -8.080 181 HE2 TYR 23 2HE TYR 23 9.670 -15.976 -7.304 182 HH TYR 23 HH TYR 23 7.256 -18.015 -8.559 183 H SER 24 H SER 24 5.609 -9.758 -6.168 184 HA SER 24 HA SER 24 7.134 -7.593 -7.040 185 HB2 SER 24 2HB SER 24 4.537 -7.573 -5.486 186 HB3 SER 24 1HB SER 24 5.200 -6.214 -6.395 187 HG SER 24 HG SER 24 4.167 -8.668 -7.351 188 H LEU 25 H LEU 25 6.220 -8.632 -3.761 189 HA LEU 25 HA LEU 25 7.256 -6.464 -2.345 190 HB2 LEU 25 2HB LEU 25 5.788 -8.193 -1.375 191 HB3 LEU 25 1HB LEU 25 7.065 -9.374 -1.557 192 HG LEU 25 HG LEU 25 8.405 -8.211 0.141 193 HD11 LEU 25 1HD1 LEU 25 7.632 -5.938 -0.251 194 HD12 LEU 25 2HD1 LEU 25 7.415 -6.387 1.440 195 HD13 LEU 25 3HD1 LEU 25 6.032 -6.366 0.347 196 HD21 LEU 25 1HD2 LEU 25 6.832 -9.964 0.830 197 HD22 LEU 25 2HD2 LEU 25 5.577 -8.746 1.038 198 HD23 LEU 25 3HD2 LEU 25 7.009 -8.720 2.065 199 H LYS 26 H LYS 26 8.763 -9.605 -3.103 200 HA LYS 26 HA LYS 26 11.248 -9.040 -1.951 201 HB2 LYS 26 2HB LYS 26 10.603 -10.906 -4.234 202 HB3 LYS 26 1HB LYS 26 12.148 -10.852 -3.396 203 HG2 LYS 26 2HG LYS 26 11.026 -11.503 -1.302 204 HG3 LYS 26 1HG LYS 26 9.489 -11.509 -2.167 205 HD2 LYS 26 2HD LYS 26 10.347 -13.779 -1.918 206 HD3 LYS 26 1HD LYS 26 10.289 -13.306 -3.612 207 HE2 LYS 26 2HE LYS 26 12.704 -12.843 -3.560 208 HE3 LYS 26 1HE LYS 26 12.748 -13.302 -1.858 209 HZ1 LYS 26 1HZ LYS 26 12.097 -15.527 -2.457 210 HZ2 LYS 26 2HZ LYS 26 13.472 -15.093 -3.332 211 HZ3 LYS 26 3HZ LYS 26 11.976 -15.105 -4.093 212 H ASN 27 H ASN 27 10.163 -8.618 -5.281 213 HA ASN 27 HA ASN 27 12.648 -7.774 -6.300 214 HB2 ASN 27 2HB ASN 27 10.799 -8.631 -7.711 215 HB3 ASN 27 1HB ASN 27 9.883 -7.174 -7.369 216 HD21 ASN 27 1HD2 ASN 27 9.785 -6.721 -9.585 217 HD22 ASN 27 2HD2 ASN 27 11.154 -6.076 -10.409 218 H THR 28 H THR 28 9.891 -5.929 -5.031 219 HA THR 28 HA THR 28 10.918 -3.389 -5.697 220 HB THR 28 HB THR 28 9.022 -4.087 -3.444 221 HG1 THR 28 1HG THR 28 8.118 -4.803 -5.277 222 HG21 THR 28 1HG2 THR 28 8.204 -1.775 -3.730 223 HG22 THR 28 2HG2 THR 28 9.442 -1.496 -4.955 224 HG23 THR 28 3HG2 THR 28 9.911 -1.800 -3.281 225 H ILE 29 H ILE 29 11.219 -5.374 -2.771 226 HA ILE 29 HA ILE 29 12.629 -3.395 -1.287 227 HB ILE 29 HB ILE 29 12.710 -6.402 -0.850 228 HG12 ILE 29 2HG1 ILE 29 10.385 -5.621 -0.905 229 HG13 ILE 29 1HG1 ILE 29 10.851 -6.100 0.714 230 HG21 ILE 29 1HG2 ILE 29 13.257 -5.878 1.415 231 HG22 ILE 29 2HG2 ILE 29 13.118 -4.148 1.099 232 HG23 ILE 29 3HG2 ILE 29 14.411 -5.080 0.339 233 HD11 ILE 29 1HD1 ILE 29 10.603 -3.281 -0.329 234 HD12 ILE 29 2HD1 ILE 29 11.120 -3.725 1.299 235 HD13 ILE 29 3HD1 ILE 29 9.489 -4.115 0.758 236 H SER 30 H SER 30 13.551 -6.034 -3.406 237 HA SER 30 HA SER 30 16.295 -5.995 -2.934 238 HB2 SER 30 2HB SER 30 15.097 -7.828 -4.126 239 HB3 SER 30 1HB SER 30 14.837 -6.744 -5.489 240 HG SER 30 HG SER 30 17.444 -7.042 -4.586 241 H GLU 31 H GLU 31 14.328 -4.246 -5.373 242 HA GLU 31 HA GLU 31 16.652 -2.895 -6.322 243 HB2 GLU 31 2HB GLU 31 13.744 -2.329 -6.878 244 HB3 GLU 31 1HB GLU 31 15.086 -1.513 -7.668 245 HG2 GLU 31 2HG GLU 31 15.860 -3.793 -8.425 246 HG3 GLU 31 1HG GLU 31 14.303 -4.403 -7.865 247 H ALA 32 H ALA 32 14.540 -2.365 -3.736 248 HA ALA 32 HA ALA 32 14.930 0.421 -3.395 249 HB1 ALA 32 1HB ALA 32 14.233 0.029 -1.067 250 HB2 ALA 32 2HB ALA 32 14.421 -1.705 -1.308 251 HB3 ALA 32 3HB ALA 32 13.180 -0.823 -2.195 252 H GLY 33 H GLY 33 16.579 -2.436 -2.197 253 HA2 GLY 33 2HA GLY 33 18.741 -2.825 -1.626 254 HA3 GLY 33 1HA GLY 33 19.141 -1.325 -2.438 255 H ASP 34 H ASP 34 19.166 0.578 -1.258 256 HA ASP 34 HA ASP 34 19.969 0.102 1.525 257 HB2 ASP 34 2HB ASP 34 21.241 2.122 1.373 258 HB3 ASP 34 1HB ASP 34 21.621 1.045 0.019 259 H LYS 35 H LYS 35 17.580 1.495 -0.276 260 HA LYS 35 HA LYS 35 16.696 3.634 1.339 261 HB2 LYS 35 2HB LYS 35 15.112 1.773 -0.424 262 HB3 LYS 35 1HB LYS 35 14.371 3.124 0.416 263 HG2 LYS 35 2HG LYS 35 15.838 4.674 -0.791 264 HG3 LYS 35 1HG LYS 35 16.580 3.302 -1.620 265 HD2 LYS 35 2HD LYS 35 14.590 2.759 -2.728 266 HD3 LYS 35 1HD LYS 35 13.625 3.862 -1.740 267 HE2 LYS 35 2HE LYS 35 13.939 4.864 -3.916 268 HE3 LYS 35 1HE LYS 35 14.907 5.757 -2.753 269 HZ1 LYS 35 1HZ LYS 35 16.143 5.382 -4.767 270 HZ2 LYS 35 2HZ LYS 35 15.902 3.734 -4.689 271 HZ3 LYS 35 3HZ LYS 35 16.861 4.506 -3.531 272 H LEU 36 H LEU 36 16.378 0.241 1.754 273 HA LEU 36 HA LEU 36 15.196 0.674 4.402 274 HB2 LEU 36 2HB LEU 36 14.757 -1.661 2.523 275 HB3 LEU 36 1HB LEU 36 14.179 -1.577 4.171 276 HG LEU 36 HG LEU 36 13.282 0.234 1.932 277 HD11 LEU 36 1HD1 LEU 36 12.552 -2.047 1.598 278 HD12 LEU 36 2HD1 LEU 36 11.191 -1.031 2.080 279 HD13 LEU 36 3HD1 LEU 36 11.944 -2.116 3.250 280 HD21 LEU 36 1HD2 LEU 36 11.545 0.917 3.520 281 HD22 LEU 36 2HD2 LEU 36 13.163 1.290 4.124 282 HD23 LEU 36 3HD2 LEU 36 12.288 -0.100 4.758 283 H GLU 37 H GLU 37 16.281 -0.526 5.994 284 HA GLU 37 HA GLU 37 18.821 -1.348 5.010 285 HB2 GLU 37 2HB GLU 37 19.604 -1.446 7.373 286 HB3 GLU 37 1HB GLU 37 18.993 0.120 6.891 287 HG2 GLU 37 2HG GLU 37 18.257 -0.238 9.083 288 HG3 GLU 37 1HG GLU 37 16.847 -0.530 8.062 289 H GLN 38 H GLN 38 19.830 -3.298 6.449 290 HA GLN 38 HA GLN 38 18.843 -5.392 4.924 291 HB2 GLN 38 2HB GLN 38 21.201 -5.149 5.664 292 HB3 GLN 38 1HB GLN 38 20.699 -5.658 7.270 293 HG2 GLN 38 2HG GLN 38 21.706 -7.463 5.942 294 HG3 GLN 38 1HG GLN 38 20.056 -7.807 6.463 295 HE21 GLN 38 1HE2 GLN 38 19.752 -9.280 4.830 296 HE22 GLN 38 2HE2 GLN 38 19.570 -8.814 3.171 297 H ALA 39 H ALA 39 18.119 -4.640 8.305 298 HA ALA 39 HA ALA 39 17.007 -7.207 8.814 299 HB1 ALA 39 1HB ALA 39 16.141 -6.217 10.882 300 HB2 ALA 39 2HB ALA 39 16.580 -4.610 10.294 301 HB3 ALA 39 3HB ALA 39 17.836 -5.799 10.632 302 H ASP 40 H ASP 40 15.624 -4.050 7.981 303 HA ASP 40 HA ASP 40 12.890 -4.806 7.865 304 HB2 ASP 40 2HB ASP 40 14.314 -2.825 6.049 305 HB3 ASP 40 1HB ASP 40 12.579 -3.028 6.115 306 H LYS 41 H LYS 41 15.361 -4.772 5.433 307 HA LYS 41 HA LYS 41 13.991 -5.734 3.239 308 HB2 LYS 41 2HB LYS 41 16.237 -4.822 3.103 309 HB3 LYS 41 1HB LYS 41 16.878 -6.173 4.025 310 HG2 LYS 41 2HG LYS 41 16.234 -7.686 2.205 311 HG3 LYS 41 1HG LYS 41 15.657 -6.322 1.271 312 HD2 LYS 41 2HD LYS 41 18.516 -6.749 2.190 313 HD3 LYS 41 1HD LYS 41 17.916 -7.081 0.574 314 HE2 LYS 41 2HE LYS 41 18.937 -5.013 0.305 315 HE3 LYS 41 1HE LYS 41 17.267 -4.556 0.572 316 HZ1 LYS 41 1HZ LYS 41 19.440 -4.495 2.608 317 HZ2 LYS 41 2HZ LYS 41 17.848 -4.017 2.921 318 HZ3 LYS 41 3HZ LYS 41 18.795 -3.164 1.827 319 H ASP 42 H ASP 42 15.662 -7.486 5.770 320 HA ASP 42 HA ASP 42 15.323 -10.102 4.692 321 HB2 ASP 42 2HB ASP 42 17.083 -9.318 6.340 322 HB3 ASP 42 1HB ASP 42 15.824 -9.305 7.559 323 H THR 43 H THR 43 13.444 -8.217 7.064 324 HA THR 43 HA THR 43 11.793 -10.364 7.802 325 HB THR 43 HB THR 43 11.179 -7.388 7.864 326 HG1 THR 43 1HG THR 43 12.883 -8.944 9.200 327 HG21 THR 43 1HG2 THR 43 9.582 -7.974 9.651 328 HG22 THR 43 2HG2 THR 43 9.954 -9.683 9.427 329 HG23 THR 43 3HG2 THR 43 9.155 -8.780 8.140 330 H VAL 44 H VAL 44 11.263 -7.811 5.368 331 HA VAL 44 HA VAL 44 8.726 -8.826 4.604 332 HB VAL 44 HB VAL 44 9.176 -7.499 2.424 333 HG11 VAL 44 1HG1 VAL 44 9.056 -6.135 5.124 334 HG12 VAL 44 2HG1 VAL 44 7.663 -6.756 4.230 335 HG13 VAL 44 3HG1 VAL 44 8.583 -5.386 3.601 336 HG21 VAL 44 1HG2 VAL 44 10.796 -5.661 2.716 337 HG22 VAL 44 2HG2 VAL 44 11.561 -7.251 2.643 338 HG23 VAL 44 3HG2 VAL 44 11.373 -6.431 4.189 339 H THR 45 H THR 45 11.867 -9.193 3.012 340 HA THR 45 HA THR 45 10.887 -10.716 0.917 341 HB THR 45 HB THR 45 13.172 -11.541 0.650 342 HG1 THR 45 1HG THR 45 13.948 -9.755 2.716 343 HG21 THR 45 1HG2 THR 45 12.505 -9.482 -0.441 344 HG22 THR 45 2HG2 THR 45 14.177 -9.333 0.098 345 HG23 THR 45 3HG2 THR 45 12.885 -8.554 1.010 346 H LYS 46 H LYS 46 12.236 -11.802 4.033 347 HA LYS 46 HA LYS 46 11.898 -14.538 3.443 348 HB2 LYS 46 2HB LYS 46 12.203 -13.115 6.052 349 HB3 LYS 46 1HB LYS 46 11.905 -14.845 5.985 350 HG2 LYS 46 2HG LYS 46 13.920 -15.161 4.687 351 HG3 LYS 46 1HG LYS 46 14.205 -13.417 4.690 352 HD2 LYS 46 2HD LYS 46 14.408 -13.428 7.102 353 HD3 LYS 46 1HD LYS 46 14.025 -15.149 7.152 354 HE2 LYS 46 2HE LYS 46 16.060 -15.700 6.040 355 HE3 LYS 46 1HE LYS 46 16.371 -14.009 5.666 356 HZ1 LYS 46 1HZ LYS 46 16.330 -15.194 8.385 357 HZ2 LYS 46 2HZ LYS 46 16.542 -13.561 8.002 358 HZ3 LYS 46 3HZ LYS 46 17.710 -14.686 7.529 359 H LYS 47 H LYS 47 9.602 -12.196 4.566 360 HA LYS 47 HA LYS 47 7.770 -14.236 5.330 361 HB2 LYS 47 2HB LYS 47 7.748 -11.731 6.064 362 HB3 LYS 47 1HB LYS 47 6.853 -11.481 4.564 363 HG2 LYS 47 2HG LYS 47 5.254 -13.198 5.255 364 HG3 LYS 47 1HG LYS 47 6.117 -13.355 6.779 365 HD2 LYS 47 2HD LYS 47 5.638 -10.910 7.148 366 HD3 LYS 47 1HD LYS 47 4.549 -11.003 5.757 367 HE2 LYS 47 2HE LYS 47 4.374 -12.541 8.340 368 HE3 LYS 47 1HE LYS 47 3.243 -11.347 7.725 369 HZ1 LYS 47 1HZ LYS 47 2.613 -12.918 5.946 370 HZ2 LYS 47 2HZ LYS 47 2.419 -13.576 7.442 371 HZ3 LYS 47 3HZ LYS 47 3.723 -14.054 6.535 372 H ALA 48 H ALA 48 8.610 -12.625 2.426 373 HA ALA 48 HA ALA 48 6.365 -13.467 0.885 374 HB1 ALA 48 1HB ALA 48 7.770 -11.594 0.167 375 HB2 ALA 48 2HB ALA 48 7.765 -12.864 -1.057 376 HB3 ALA 48 3HB ALA 48 9.149 -12.673 0.022 377 H GLU 49 H GLU 49 9.569 -14.720 1.574 378 HA GLU 49 HA GLU 49 9.633 -17.030 -0.005 379 HB2 GLU 49 2HB GLU 49 10.672 -16.666 2.815 380 HB3 GLU 49 1HB GLU 49 11.164 -17.941 1.718 381 HG2 GLU 49 2HG GLU 49 11.570 -15.012 1.171 382 HG3 GLU 49 1HG GLU 49 12.761 -16.034 1.966 383 H GLU 50 H GLU 50 8.176 -16.426 3.208 384 HA GLU 50 HA GLU 50 7.304 -18.928 3.874 385 HB2 GLU 50 2HB GLU 50 7.524 -17.182 5.450 386 HB3 GLU 50 1HB GLU 50 6.578 -16.081 4.464 387 HG2 GLU 50 2HG GLU 50 4.736 -17.581 4.732 388 HG3 GLU 50 1HG GLU 50 5.663 -18.449 5.984 389 H THR 51 H THR 51 5.889 -16.208 2.150 390 HA THR 51 HA THR 51 3.358 -17.306 2.014 391 HB THR 51 HB THR 51 4.566 -15.069 0.405 392 HG1 THR 51 1HG THR 51 4.620 -14.632 2.628 393 HG21 THR 51 1HG2 THR 51 2.471 -15.877 -0.606 394 HG22 THR 51 2HG2 THR 51 2.238 -14.291 0.134 395 HG23 THR 51 3HG2 THR 51 1.661 -15.740 0.955 396 H ILE 52 H ILE 52 6.018 -17.194 -0.294 397 HA ILE 52 HA ILE 52 4.684 -18.381 -2.473 398 HB ILE 52 HB ILE 52 7.646 -18.337 -1.794 399 HG12 ILE 52 2HG1 ILE 52 6.023 -16.642 -3.711 400 HG13 ILE 52 1HG1 ILE 52 6.585 -16.132 -2.125 401 HG21 ILE 52 1HG2 ILE 52 7.186 -20.176 -3.339 402 HG22 ILE 52 2HG2 ILE 52 8.051 -18.878 -4.164 403 HG23 ILE 52 3HG2 ILE 52 6.313 -19.073 -4.406 404 HD11 ILE 52 1HD1 ILE 52 8.896 -16.322 -2.885 405 HD12 ILE 52 2HD1 ILE 52 7.969 -15.230 -3.914 406 HD13 ILE 52 3HD1 ILE 52 8.331 -16.865 -4.465 407 H SER 53 H SER 53 6.656 -19.798 0.127 408 HA SER 53 HA SER 53 6.379 -22.434 -0.837 409 HB2 SER 53 2HB SER 53 7.134 -23.072 1.503 410 HB3 SER 53 1HB SER 53 8.223 -22.014 0.615 411 HG SER 53 HG SER 53 7.642 -20.332 1.853 412 H TRP 54 H TRP 54 4.486 -20.485 1.397 413 HA TRP 54 HA TRP 54 2.773 -22.477 2.346 414 HB2 TRP 54 2HB TRP 54 2.874 -20.078 3.231 415 HB3 TRP 54 1HB TRP 54 1.962 -19.590 1.815 416 HD1 TRP 54 HD TRP 54 1.579 -21.497 5.100 417 HE1 TRP 54 1HE TRP 54 -0.928 -21.793 5.602 418 HE3 TRP 54 3HE TRP 54 -0.377 -19.711 0.708 419 HZ2 TRP 54 2HZ TRP 54 -3.387 -21.340 4.333 420 HZ3 TRP 54 3HZ TRP 54 -2.811 -19.691 0.455 421 HH2 TRP 54 HH TRP 54 -4.282 -20.480 2.222 422 H LEU 55 H LEU 55 2.549 -20.382 -0.482 423 HA LEU 55 HA LEU 55 0.094 -21.255 -1.483 424 HB2 LEU 55 2HB LEU 55 1.135 -19.255 -2.300 425 HB3 LEU 55 1HB LEU 55 2.538 -20.146 -2.839 426 HG LEU 55 HG LEU 55 1.172 -21.237 -4.567 427 HD11 LEU 55 1HD1 LEU 55 -1.030 -20.335 -5.126 428 HD12 LEU 55 2HD1 LEU 55 -1.007 -19.372 -3.647 429 HD13 LEU 55 3HD1 LEU 55 -1.002 -21.139 -3.560 430 HD21 LEU 55 1HD2 LEU 55 0.954 -19.272 -6.015 431 HD22 LEU 55 2HD2 LEU 55 2.468 -19.273 -5.111 432 HD23 LEU 55 3HD2 LEU 55 1.140 -18.230 -4.604 433 H ASP 56 H ASP 56 3.321 -22.549 -1.911 434 HA ASP 56 HA ASP 56 2.676 -24.379 -3.982 435 HB2 ASP 56 2HB ASP 56 4.939 -23.662 -3.771 436 HB3 ASP 56 1HB ASP 56 4.995 -24.133 -2.078 437 H SER 57 H SER 57 2.774 -24.533 -0.504 438 HA SER 57 HA SER 57 2.392 -27.341 -0.546 439 HB2 SER 57 2HB SER 57 3.757 -26.236 1.210 440 HB3 SER 57 1HB SER 57 2.307 -25.433 1.796 441 HG SER 57 HG SER 57 2.655 -28.221 1.620 442 H ASN 58 H ASN 58 0.446 -24.459 -0.011 443 HA ASN 58 HA ASN 58 -1.847 -26.092 0.709 444 HB2 ASN 58 2HB ASN 58 -1.167 -23.226 1.211 445 HB3 ASN 58 1HB ASN 58 -2.838 -23.758 1.292 446 HD21 ASN 58 1HD2 ASN 58 0.282 -23.899 2.750 447 HD22 ASN 58 2HD2 ASN 58 -0.215 -24.628 4.234 448 H THR 59 H THR 59 -1.068 -26.018 -2.030 449 HA THR 59 HA THR 59 -2.514 -24.265 -3.615 450 HB THR 59 HB THR 59 -2.531 -26.258 -5.223 451 HG1 THR 59 1HG THR 59 -1.472 -28.019 -4.644 452 HG21 THR 59 1HG2 THR 59 -0.100 -26.164 -5.589 453 HG22 THR 59 2HG2 THR 59 0.107 -25.428 -4.002 454 HG23 THR 59 3HG2 THR 59 -0.759 -24.560 -5.270 455 H THR 60 H THR 60 -3.481 -27.016 -1.794 456 HA THR 60 HA THR 60 -6.079 -27.222 -3.016 457 HB THR 60 HB THR 60 -4.804 -29.255 -2.491 458 HG1 THR 60 1HG THR 60 -7.188 -28.936 -0.980 459 HG21 THR 60 1HG2 THR 60 -3.680 -28.473 -0.529 460 HG22 THR 60 2HG2 THR 60 -4.584 -29.954 -0.134 461 HG23 THR 60 3HG2 THR 60 -5.214 -28.354 0.324 462 H ALA 61 H ALA 61 -5.011 -25.008 -0.903 463 HA ALA 61 HA ALA 61 -6.939 -25.279 1.213 464 HB1 ALA 61 1HB ALA 61 -4.780 -24.228 1.635 465 HB2 ALA 61 2HB ALA 61 -6.099 -23.108 1.977 466 HB3 ALA 61 3HB ALA 61 -5.165 -22.944 0.489 467 H SER 62 H SER 62 -8.315 -23.271 1.724 468 HA SER 62 HA SER 62 -10.054 -22.905 -0.563 469 HB2 SER 62 2HB SER 62 -11.038 -23.575 1.572 470 HB3 SER 62 1HB SER 62 -10.373 -22.144 2.354 471 HG SER 62 HG SER 62 -12.677 -22.359 1.314 472 H LYS 63 H LYS 63 -11.021 -20.780 -0.921 473 HA LYS 63 HA LYS 63 -9.118 -18.860 -1.644 474 HB2 LYS 63 2HB LYS 63 -10.983 -17.307 -2.162 475 HB3 LYS 63 1HB LYS 63 -11.204 -18.887 -2.857 476 HG2 LYS 63 2HG LYS 63 -12.628 -17.935 -0.363 477 HG3 LYS 63 1HG LYS 63 -13.281 -17.759 -1.988 478 HD2 LYS 63 2HD LYS 63 -13.020 -20.310 -2.165 479 HD3 LYS 63 1HD LYS 63 -12.775 -20.284 -0.418 480 HE2 LYS 63 2HE LYS 63 -15.219 -19.244 -1.869 481 HE3 LYS 63 1HE LYS 63 -15.112 -20.791 -1.052 482 HZ1 LYS 63 1HZ LYS 63 -14.945 -18.106 0.236 483 HZ2 LYS 63 2HZ LYS 63 -14.834 -19.562 1.084 484 HZ3 LYS 63 3HZ LYS 63 -16.249 -19.154 0.293 485 H GLU 64 H GLU 64 -11.020 -19.155 1.179 486 HA GLU 64 HA GLU 64 -10.661 -16.577 2.248 487 HB2 GLU 64 2HB GLU 64 -11.287 -19.222 3.531 488 HB3 GLU 64 1HB GLU 64 -11.469 -17.650 4.308 489 HG2 GLU 64 2HG GLU 64 -13.175 -17.001 2.863 490 HG3 GLU 64 1HG GLU 64 -12.805 -18.287 1.719 491 H GLU 65 H GLU 65 -8.775 -19.498 2.335 492 HA GLU 65 HA GLU 65 -7.122 -18.659 4.497 493 HB2 GLU 65 2HB GLU 65 -6.801 -20.894 2.517 494 HB3 GLU 65 1HB GLU 65 -5.814 -20.666 3.964 495 HG2 GLU 65 2HG GLU 65 -7.780 -20.878 5.356 496 HG3 GLU 65 1HG GLU 65 -8.784 -21.087 3.926 497 H PHE 66 H PHE 66 -6.906 -18.646 0.999 498 HA PHE 66 HA PHE 66 -4.243 -17.647 0.908 499 HB2 PHE 66 2HB PHE 66 -6.461 -17.445 -1.143 500 HB3 PHE 66 1HB PHE 66 -4.800 -16.952 -1.440 501 HD1 PHE 66 1HD PHE 66 -3.009 -18.693 -1.419 502 HD2 PHE 66 2HD PHE 66 -7.135 -19.669 -1.336 503 HE1 PHE 66 1HE PHE 66 -2.479 -20.983 -2.130 504 HE2 PHE 66 2HE PHE 66 -6.614 -21.956 -2.049 505 HZ PHE 66 HZ PHE 66 -4.284 -22.617 -2.444 506 H ASP 67 H ASP 67 -7.441 -16.173 0.888 507 HA ASP 67 HA ASP 67 -6.756 -13.474 0.697 508 HB2 ASP 67 2HB ASP 67 -9.063 -14.093 0.561 509 HB3 ASP 67 1HB ASP 67 -9.009 -14.891 2.124 510 H ASP 68 H ASP 68 -7.153 -15.526 3.500 511 HA ASP 68 HA ASP 68 -6.563 -13.763 5.559 512 HB2 ASP 68 2HB ASP 68 -7.553 -15.964 5.887 513 HB3 ASP 68 1HB ASP 68 -6.066 -16.710 5.312 514 H LYS 69 H LYS 69 -4.363 -15.860 3.691 515 HA LYS 69 HA LYS 69 -2.039 -15.065 5.049 516 HB2 LYS 69 2HB LYS 69 -2.535 -16.376 2.422 517 HB3 LYS 69 1HB LYS 69 -0.914 -15.869 2.851 518 HG2 LYS 69 2HG LYS 69 -2.639 -17.746 4.452 519 HG3 LYS 69 1HG LYS 69 -1.356 -18.238 3.347 520 HD2 LYS 69 2HD LYS 69 -0.996 -16.557 5.844 521 HD3 LYS 69 1HD LYS 69 -0.593 -18.259 5.673 522 HE2 LYS 69 2HE LYS 69 1.091 -17.732 4.004 523 HE3 LYS 69 1HE LYS 69 0.647 -16.037 4.034 524 HZ1 LYS 69 1HZ LYS 69 1.277 -15.960 6.388 525 HZ2 LYS 69 2HZ LYS 69 2.611 -16.367 5.483 526 HZ3 LYS 69 3HZ LYS 69 1.774 -17.554 6.345 527 H LEU 70 H LEU 70 -3.534 -13.868 2.078 528 HA LEU 70 HA LEU 70 -1.552 -12.011 1.430 529 HB2 LEU 70 2HB LEU 70 -3.509 -12.713 -0.012 530 HB3 LEU 70 1HB LEU 70 -4.541 -11.728 0.986 531 HG LEU 70 HG LEU 70 -3.971 -10.750 -1.250 532 HD11 LEU 70 1HD1 LEU 70 -4.737 -9.261 0.488 533 HD12 LEU 70 2HD1 LEU 70 -3.504 -8.479 -0.498 534 HD13 LEU 70 3HD1 LEU 70 -3.091 -9.104 1.101 535 HD21 LEU 70 1HD2 LEU 70 -1.207 -10.468 -0.077 536 HD22 LEU 70 2HD2 LEU 70 -1.762 -9.764 -1.595 537 HD23 LEU 70 3HD2 LEU 70 -1.679 -11.515 -1.416 538 H LYS 71 H LYS 71 -4.336 -11.784 3.559 539 HA LYS 71 HA LYS 71 -4.131 -9.109 4.306 540 HB2 LYS 71 2HB LYS 71 -5.161 -11.463 5.885 541 HB3 LYS 71 1HB LYS 71 -5.311 -9.787 6.396 542 HG2 LYS 71 2HG LYS 71 -6.686 -9.289 4.466 543 HG3 LYS 71 1HG LYS 71 -6.459 -10.929 3.859 544 HD2 LYS 71 2HD LYS 71 -8.636 -10.711 4.946 545 HD3 LYS 71 1HD LYS 71 -7.605 -11.821 5.840 546 HE2 LYS 71 2HE LYS 71 -7.065 -10.015 7.426 547 HE3 LYS 71 1HE LYS 71 -8.128 -8.929 6.533 548 HZ1 LYS 71 1HZ LYS 71 -9.989 -10.380 7.097 549 HZ2 LYS 71 2HZ LYS 71 -9.170 -9.889 8.504 550 HZ3 LYS 71 3HZ LYS 71 -8.937 -11.422 7.886 551 H GLU 72 H GLU 72 -2.723 -11.973 5.917 552 HA GLU 72 HA GLU 72 -1.479 -10.278 7.825 553 HB2 GLU 72 2HB GLU 72 -0.413 -12.385 8.726 554 HB3 GLU 72 1HB GLU 72 -2.160 -12.363 8.703 555 HG2 GLU 72 2HG GLU 72 -1.752 -14.487 7.968 556 HG3 GLU 72 1HG GLU 72 -1.839 -13.623 6.439 557 H LEU 73 H LEU 73 -0.430 -11.652 4.848 558 HA LEU 73 HA LEU 73 2.299 -11.098 5.097 559 HB2 LEU 73 2HB LEU 73 1.240 -12.483 3.289 560 HB3 LEU 73 1HB LEU 73 0.543 -11.040 2.616 561 HG LEU 73 HG LEU 73 2.530 -11.990 1.378 562 HD11 LEU 73 1HD1 LEU 73 1.848 -9.700 1.011 563 HD12 LEU 73 2HD1 LEU 73 3.605 -9.858 0.937 564 HD13 LEU 73 3HD1 LEU 73 2.831 -9.176 2.376 565 HD21 LEU 73 1HD2 LEU 73 4.753 -11.543 2.249 566 HD22 LEU 73 2HD2 LEU 73 3.849 -12.624 3.321 567 HD23 LEU 73 3HD2 LEU 73 4.045 -10.919 3.739 568 H GLN 74 H GLN 74 -0.359 -9.146 3.773 569 HA GLN 74 HA GLN 74 1.226 -6.851 3.305 570 HB2 GLN 74 2HB GLN 74 -1.756 -7.204 3.546 571 HB3 GLN 74 1HB GLN 74 -1.003 -5.664 3.160 572 HG2 GLN 74 2HG GLN 74 -0.661 -8.176 1.534 573 HG3 GLN 74 1HG GLN 74 -1.842 -6.918 1.185 574 HE21 GLN 74 1HE2 GLN 74 1.526 -7.745 1.199 575 HE22 GLN 74 2HE2 GLN 74 2.055 -6.398 0.249 576 H ASP 75 H ASP 75 -0.621 -7.937 6.049 577 HA ASP 75 HA ASP 75 -0.710 -5.564 7.521 578 HB2 ASP 75 2HB ASP 75 -2.090 -7.437 8.127 579 HB3 ASP 75 1HB ASP 75 -0.677 -8.436 8.419 580 H ILE 76 H ILE 76 1.733 -8.128 7.557 581 HA ILE 76 HA ILE 76 3.321 -6.763 9.533 582 HB ILE 76 HB ILE 76 3.968 -9.161 7.795 583 HG12 ILE 76 2HG1 ILE 76 2.168 -9.583 9.403 584 HG13 ILE 76 1HG1 ILE 76 3.611 -10.486 9.833 585 HG21 ILE 76 1HG2 ILE 76 5.560 -8.075 10.122 586 HG22 ILE 76 2HG2 ILE 76 6.053 -8.085 8.428 587 HG23 ILE 76 3HG2 ILE 76 5.864 -9.606 9.297 588 HD11 ILE 76 1HD1 ILE 76 2.552 -9.581 11.803 589 HD12 ILE 76 2HD1 ILE 76 2.637 -7.951 11.141 590 HD13 ILE 76 3HD1 ILE 76 4.120 -8.811 11.559 591 H ALA 77 H ALA 77 3.358 -7.031 6.031 592 HA ALA 77 HA ALA 77 5.923 -5.772 5.753 593 HB1 ALA 77 1HB ALA 77 3.797 -6.259 3.672 594 HB2 ALA 77 2HB ALA 77 5.092 -7.378 4.091 595 HB3 ALA 77 3HB ALA 77 5.474 -5.815 3.362 596 H ASN 78 H ASN 78 2.751 -4.671 6.206 597 HA ASN 78 HA ASN 78 2.465 -2.416 4.748 598 HB2 ASN 78 2HB ASN 78 0.638 -3.195 6.091 599 HB3 ASN 78 1HB ASN 78 1.514 -2.870 7.580 600 HD21 ASN 78 1HD2 ASN 78 -0.296 -1.498 4.966 601 HD22 ASN 78 2HD2 ASN 78 -0.453 0.073 5.646 602 HA PRO 79 HA PRO 79 4.528 0.602 7.916 603 HB2 PRO 79 2HB PRO 79 6.449 -0.526 9.554 604 HB3 PRO 79 1HB PRO 79 4.811 -0.133 10.073 605 HG2 PRO 79 2HG PRO 79 5.956 -2.755 9.218 606 HG3 PRO 79 1HG PRO 79 4.801 -2.411 10.517 607 HD2 PRO 79 2HD PRO 79 4.000 -3.442 8.177 608 HD3 PRO 79 1HD PRO 79 3.012 -2.258 9.061 609 H ILE 80 H ILE 80 6.415 -2.189 6.950 610 HA ILE 80 HA ILE 80 8.816 -0.753 6.412 611 HB ILE 80 HB ILE 80 7.921 -3.472 5.385 612 HG12 ILE 80 2HG1 ILE 80 9.652 -2.780 7.772 613 HG13 ILE 80 1HG1 ILE 80 7.956 -3.229 7.876 614 HG21 ILE 80 1HG2 ILE 80 9.767 -2.551 4.072 615 HG22 ILE 80 2HG2 ILE 80 10.341 -3.887 5.072 616 HG23 ILE 80 3HG2 ILE 80 10.671 -2.221 5.547 617 HD11 ILE 80 1HD1 ILE 80 8.483 -5.422 6.971 618 HD12 ILE 80 2HD1 ILE 80 9.415 -5.089 8.429 619 HD13 ILE 80 3HD1 ILE 80 10.183 -4.970 6.841 620 H MET 81 H MET 81 6.101 -1.836 4.417 621 HA MET 81 HA MET 81 7.229 -0.832 2.016 622 HB2 MET 81 2HB MET 81 4.363 -1.548 2.638 623 HB3 MET 81 1HB MET 81 4.934 -1.085 1.043 624 HG2 MET 81 2HG MET 81 5.793 -3.490 2.633 625 HG3 MET 81 1HG MET 81 4.770 -3.481 1.198 626 HE1 MET 81 1HE MET 81 6.280 -1.376 -0.721 627 HE2 MET 81 2HE MET 81 5.658 -2.948 -1.251 628 HE3 MET 81 3HE MET 81 7.317 -2.489 -1.620 629 H SER 82 H SER 82 5.005 0.534 4.406 630 HA SER 82 HA SER 82 4.447 2.875 2.945 631 HB2 SER 82 2HB SER 82 3.139 2.153 4.935 632 HB3 SER 82 1HB SER 82 4.538 2.499 5.951 633 HG SER 82 HG SER 82 2.670 4.136 5.273 634 H LYS 83 H LYS 83 6.997 1.964 5.211 635 HA LYS 83 HA LYS 83 8.336 4.361 5.406 636 HB2 LYS 83 2HB LYS 83 8.736 2.402 6.800 637 HB3 LYS 83 1HB LYS 83 9.329 1.515 5.408 638 HG2 LYS 83 2HG LYS 83 11.205 3.047 5.251 639 HG3 LYS 83 1HG LYS 83 10.598 3.921 6.665 640 HD2 LYS 83 2HD LYS 83 10.779 1.884 8.006 641 HD3 LYS 83 1HD LYS 83 11.369 1.009 6.597 642 HE2 LYS 83 2HE LYS 83 13.299 2.434 6.474 643 HE3 LYS 83 1HE LYS 83 12.709 3.397 7.833 644 HZ1 LYS 83 1HZ LYS 83 12.913 1.412 9.227 645 HZ2 LYS 83 2HZ LYS 83 14.382 1.861 8.534 646 HZ3 LYS 83 3HZ LYS 83 13.567 0.533 7.932 647 H LEU 84 H LEU 84 8.620 1.708 3.054 648 HA LEU 84 HA LEU 84 10.707 2.740 1.521 649 HB2 LEU 84 2HB LEU 84 9.867 0.399 1.423 650 HB3 LEU 84 1HB LEU 84 8.408 0.961 0.659 651 HG LEU 84 HG LEU 84 10.113 -0.191 -0.837 652 HD11 LEU 84 1HD1 LEU 84 9.812 1.309 -2.738 653 HD12 LEU 84 2HD1 LEU 84 9.276 2.585 -1.646 654 HD13 LEU 84 3HD1 LEU 84 8.319 1.114 -1.818 655 HD21 LEU 84 1HD2 LEU 84 11.978 1.150 -1.655 656 HD22 LEU 84 2HD2 LEU 84 12.121 0.832 0.072 657 HD23 LEU 84 3HD2 LEU 84 11.583 2.416 -0.494 658 H TYR 85 H TYR 85 7.200 3.148 1.157 659 HA TYR 85 HA TYR 85 7.480 4.799 -1.148 660 HB2 TYR 85 2HB TYR 85 5.079 4.189 0.568 661 HB3 TYR 85 1HB TYR 85 5.003 5.299 -0.796 662 HD1 TYR 85 1HD TYR 85 5.573 4.427 -3.094 663 HD2 TYR 85 2HD TYR 85 4.972 1.842 0.222 664 HE1 TYR 85 1HE TYR 85 5.246 2.540 -4.632 665 HE2 TYR 85 2HE TYR 85 4.641 -0.055 -1.304 666 HH TYR 85 HH TYR 85 5.464 0.144 -4.583 667 H GLN 86 H GLN 86 8.149 5.520 1.956 668 HA GLN 86 HA GLN 86 7.587 8.357 1.490 669 HB2 GLN 86 2HB GLN 86 8.181 6.911 4.074 670 HB3 GLN 86 1HB GLN 86 8.042 8.661 3.939 671 HG2 GLN 86 2HG GLN 86 5.731 8.440 3.212 672 HG3 GLN 86 1HG GLN 86 5.869 6.686 3.278 673 HE21 GLN 86 1HE2 GLN 86 5.870 5.681 5.220 674 HE22 GLN 86 2HE2 GLN 86 5.416 6.443 6.699 675 H ALA 87 H ALA 87 10.102 6.101 2.473 676 HA ALA 87 HA ALA 87 12.219 7.978 2.625 677 HB1 ALA 87 1HB ALA 87 13.680 6.021 2.673 678 HB2 ALA 87 2HB ALA 87 12.339 5.001 2.151 679 HB3 ALA 87 3HB ALA 87 12.286 5.786 3.729 680 H GLY 88 H GLY 88 10.663 6.438 -0.003 681 HA2 GLY 88 2HA GLY 88 12.528 7.744 -1.811 682 HA3 GLY 88 1HA GLY 88 12.161 6.031 -2.048 683 H GLY 89 H GLY 89 10.090 8.596 -0.913 684 HA2 GLY 89 2HA GLY 89 8.592 8.655 -3.357 685 HA3 GLY 89 1HA GLY 89 7.825 7.779 -2.028 686 H ALA 90 H ALA 90 6.521 8.924 -0.811 687 HA ALA 90 HA ALA 90 7.022 11.774 -0.403 688 HB1 ALA 90 1HB ALA 90 4.414 10.598 -1.385 689 HB2 ALA 90 2HB ALA 90 5.495 11.633 -2.316 690 HB3 ALA 90 3HB ALA 90 4.659 12.273 -0.899 691 HA PRO 91 HA PRO 91 5.882 10.710 3.771 692 HB2 PRO 91 2HB PRO 91 4.629 13.058 4.520 693 HB3 PRO 91 1HB PRO 91 6.380 12.821 4.518 694 HG2 PRO 91 2HG PRO 91 4.640 14.146 2.482 695 HG3 PRO 91 1HG PRO 91 6.238 14.631 3.070 696 HD2 PRO 91 2HD PRO 91 5.920 13.415 0.703 697 HD3 PRO 91 1HD PRO 91 7.335 13.093 1.725 698 H GLY 92 H GLY 92 4.145 9.875 4.841 699 HA2 GLY 92 2HA GLY 92 1.733 9.503 3.316 700 HA3 GLY 92 1HA GLY 92 2.104 8.781 4.877 701 H GLY 93 H GLY 93 -0.385 9.571 4.635 702 HA2 GLY 93 2HA GLY 93 -0.750 12.326 5.428 703 HA3 GLY 93 1HA GLY 93 -2.014 11.122 5.216 704 H ALA 94 H ALA 94 0.766 11.734 7.325 705 HA ALA 94 HA ALA 94 -0.917 11.530 9.653 706 HB1 ALA 94 1HB ALA 94 -0.285 9.191 9.262 707 HB2 ALA 94 2HB ALA 94 0.493 9.818 10.716 708 HB3 ALA 94 3HB ALA 94 1.414 9.654 9.222 709 H ALA 95 H ALA 95 -0.124 12.716 11.286 710 HA ALA 95 HA ALA 95 2.372 14.166 10.832 711 HB1 ALA 95 1HB ALA 95 0.146 14.651 12.823 712 HB2 ALA 95 2HB ALA 95 0.384 15.525 11.310 713 HB3 ALA 95 3HB ALA 95 1.568 15.672 12.610 714 H GLY 96 H GLY 96 1.108 11.534 12.479 715 HA2 GLY 96 2HA GLY 96 3.551 10.951 13.750 716 HA3 GLY 96 1HA GLY 96 2.337 11.481 14.920 717 H GLY 97 H GLY 97 3.190 8.947 15.170 718 HA2 GLY 97 2HA GLY 97 0.803 7.495 14.976 719 HA3 GLY 97 1HA GLY 97 1.877 7.017 13.666 720 H ALA 98 H ALA 98 2.739 5.173 14.170 721 HA ALA 98 HA ALA 98 3.666 3.461 15.244 722 HB1 ALA 98 1HB ALA 98 5.680 3.892 16.516 723 HB2 ALA 98 2HB ALA 98 5.208 5.576 16.747 724 HB3 ALA 98 3HB ALA 98 5.607 4.988 15.135 725 HA PRO 99 HA PRO 99 1.271 3.449 19.105 726 HB2 PRO 99 2HB PRO 99 -0.907 2.088 18.178 727 HB3 PRO 99 1HB PRO 99 -0.774 3.846 18.132 728 HG2 PRO 99 2HG PRO 99 -0.786 1.981 15.915 729 HG3 PRO 99 1HG PRO 99 -0.793 3.749 15.868 730 HD2 PRO 99 2HD PRO 99 1.468 1.883 15.553 731 HD3 PRO 99 1HD PRO 99 1.336 3.590 15.075 732 H GLY 100 H GLY 100 3.145 1.521 17.594 733 HA2 GLY 100 2HA GLY 100 3.715 -0.456 19.180 734 HA3 GLY 100 1HA GLY 100 2.158 -1.046 18.602 735 H GLY 101 H GLY 101 2.887 0.374 15.933 736 HA2 GLY 101 2HA GLY 101 5.062 -1.149 14.943 737 HA3 GLY 101 1HA GLY 101 3.472 -1.688 14.382 Start of MODEL 20 1 H1 SER 1 1HT SER 1 -18.720 -26.020 -13.842 2 H2 SER 1 2HT SER 1 -18.972 -27.679 -13.460 3 H3 SER 1 3HT SER 1 -18.330 -26.605 -12.310 4 HA SER 1 HA SER 1 -21.023 -26.434 -13.404 5 HB2 SER 1 2HB SER 1 -20.009 -27.273 -10.682 6 HB3 SER 1 1HB SER 1 -21.681 -27.318 -11.260 7 HG SER 1 HG SER 1 -20.479 -29.356 -11.344 8 H LYS 2 H LYS 2 -21.995 -24.514 -12.919 9 HA LYS 2 HA LYS 2 -20.412 -22.294 -12.780 10 HB2 LYS 2 2HB LYS 2 -22.728 -22.330 -13.629 11 HB3 LYS 2 1HB LYS 2 -23.301 -22.413 -11.969 12 HG2 LYS 2 2HG LYS 2 -23.491 -20.145 -12.832 13 HG3 LYS 2 1HG LYS 2 -22.320 -20.216 -11.514 14 HD2 LYS 2 2HD LYS 2 -20.484 -20.264 -13.125 15 HD3 LYS 2 1HD LYS 2 -21.643 -20.236 -14.456 16 HE2 LYS 2 2HE LYS 2 -22.414 -18.034 -13.721 17 HE3 LYS 2 1HE LYS 2 -21.279 -18.088 -12.374 18 HZ1 LYS 2 1HZ LYS 2 -20.362 -16.790 -14.180 19 HZ2 LYS 2 2HZ LYS 2 -20.578 -18.056 -15.255 20 HZ3 LYS 2 3HZ LYS 2 -19.464 -18.207 -14.018 21 H GLU 3 H GLU 3 -22.227 -23.638 -10.025 22 HA GLU 3 HA GLU 3 -21.629 -21.625 -8.183 23 HB2 GLU 3 2HB GLU 3 -23.325 -23.306 -7.776 24 HB3 GLU 3 1HB GLU 3 -22.106 -24.568 -7.743 25 HG2 GLU 3 2HG GLU 3 -22.855 -24.058 -5.512 26 HG3 GLU 3 1HG GLU 3 -21.166 -23.605 -5.714 27 H GLU 4 H GLU 4 -19.885 -24.698 -8.759 28 HA GLU 4 HA GLU 4 -17.933 -23.782 -6.940 29 HB2 GLU 4 2HB GLU 4 -16.648 -25.854 -7.486 30 HB3 GLU 4 1HB GLU 4 -18.220 -26.094 -6.731 31 HG2 GLU 4 2HG GLU 4 -18.066 -27.777 -8.315 32 HG3 GLU 4 1HG GLU 4 -18.984 -26.530 -9.151 33 H ASP 5 H ASP 5 -18.165 -23.832 -10.348 34 HA ASP 5 HA ASP 5 -15.571 -23.029 -11.012 35 HB2 ASP 5 2HB ASP 5 -18.225 -22.660 -12.301 36 HB3 ASP 5 1HB ASP 5 -16.971 -21.531 -12.791 37 H GLU 6 H GLU 6 -18.253 -21.137 -9.779 38 HA GLU 6 HA GLU 6 -16.865 -18.683 -9.966 39 HB2 GLU 6 2HB GLU 6 -19.304 -19.446 -8.383 40 HB3 GLU 6 1HB GLU 6 -18.608 -17.833 -8.330 41 HG2 GLU 6 2HG GLU 6 -18.898 -17.660 -10.764 42 HG3 GLU 6 1HG GLU 6 -19.675 -19.241 -10.764 43 H LYS 7 H LYS 7 -17.247 -20.975 -7.259 44 HA LYS 7 HA LYS 7 -15.860 -19.335 -5.417 45 HB2 LYS 7 2HB LYS 7 -15.645 -21.218 -3.950 46 HB3 LYS 7 1HB LYS 7 -17.169 -21.453 -4.779 47 HG2 LYS 7 2HG LYS 7 -16.115 -23.086 -6.265 48 HG3 LYS 7 1HG LYS 7 -14.574 -22.812 -5.469 49 HD2 LYS 7 2HD LYS 7 -15.536 -23.611 -3.360 50 HD3 LYS 7 1HD LYS 7 -17.063 -23.918 -4.192 51 HE2 LYS 7 2HE LYS 7 -15.804 -25.986 -3.990 52 HE3 LYS 7 1HE LYS 7 -15.933 -25.511 -5.676 53 HZ1 LYS 7 1HZ LYS 7 -13.719 -26.280 -5.186 54 HZ2 LYS 7 2HZ LYS 7 -13.539 -25.189 -3.934 55 HZ3 LYS 7 3HZ LYS 7 -13.579 -24.641 -5.507 56 H GLU 8 H GLU 8 -14.800 -21.649 -7.803 57 HA GLU 8 HA GLU 8 -12.086 -21.665 -7.103 58 HB2 GLU 8 2HB GLU 8 -13.457 -22.291 -9.710 59 HB3 GLU 8 1HB GLU 8 -11.740 -22.539 -9.420 60 HG2 GLU 8 2HG GLU 8 -13.952 -23.816 -7.846 61 HG3 GLU 8 1HG GLU 8 -13.094 -24.584 -9.175 62 H SER 9 H SER 9 -13.950 -19.725 -9.398 63 HA SER 9 HA SER 9 -11.687 -18.397 -10.430 64 HB2 SER 9 2HB SER 9 -14.561 -17.460 -10.400 65 HB3 SER 9 1HB SER 9 -13.255 -16.829 -11.419 66 HG SER 9 HG SER 9 -14.377 -19.432 -11.426 67 H GLN 10 H GLN 10 -13.873 -17.593 -7.768 68 HA GLN 10 HA GLN 10 -12.694 -15.100 -7.117 69 HB2 GLN 10 2HB GLN 10 -14.006 -17.122 -5.286 70 HB3 GLN 10 1HB GLN 10 -13.625 -15.471 -4.837 71 HG2 GLN 10 2HG GLN 10 -15.200 -14.669 -6.546 72 HG3 GLN 10 1HG GLN 10 -15.589 -16.341 -6.943 73 HE21 GLN 10 1HE2 GLN 10 -17.762 -16.057 -6.362 74 HE22 GLN 10 2HE2 GLN 10 -18.248 -15.956 -4.723 75 H ARG 11 H ARG 11 -12.042 -18.393 -6.192 76 HA ARG 11 HA ARG 11 -9.979 -17.960 -4.357 77 HB2 ARG 11 2HB ARG 11 -11.237 -20.042 -4.550 78 HB3 ARG 11 1HB ARG 11 -10.610 -20.286 -6.159 79 HG2 ARG 11 2HG ARG 11 -8.401 -20.688 -5.274 80 HG3 ARG 11 1HG ARG 11 -8.970 -20.335 -3.635 81 HD2 ARG 11 2HD ARG 11 -10.489 -22.167 -3.694 82 HD3 ARG 11 1HD ARG 11 -10.144 -22.475 -5.395 83 HE ARG 11 HE ARG 11 -7.995 -22.679 -3.450 84 HH11 ARG 11 1HH1 ARG 11 -10.392 -24.377 -5.528 85 HH12 ARG 11 2HH1 ARG 11 -9.497 -25.796 -5.606 86 HH21 ARG 11 1HH2 ARG 11 -6.743 -24.680 -3.666 87 HH22 ARG 11 2HH2 ARG 11 -7.395 -25.969 -4.563 88 H ILE 12 H ILE 12 -9.965 -18.447 -7.850 89 HA ILE 12 HA ILE 12 -7.194 -18.457 -8.254 90 HB ILE 12 HB ILE 12 -9.338 -17.400 -10.128 91 HG12 ILE 12 2HG1 ILE 12 -9.783 -19.721 -9.679 92 HG13 ILE 12 1HG1 ILE 12 -9.085 -19.605 -11.289 93 HG21 ILE 12 1HG2 ILE 12 -6.482 -18.151 -10.723 94 HG22 ILE 12 2HG2 ILE 12 -7.196 -16.540 -10.812 95 HG23 ILE 12 3HG2 ILE 12 -7.704 -17.797 -11.941 96 HD11 ILE 12 1HD1 ILE 12 -8.212 -21.513 -10.103 97 HD12 ILE 12 2HD1 ILE 12 -7.680 -20.482 -8.778 98 HD13 ILE 12 3HD1 ILE 12 -6.926 -20.332 -10.368 99 H ALA 13 H ALA 13 -9.518 -15.806 -8.173 100 HA ALA 13 HA ALA 13 -7.755 -13.771 -8.835 101 HB1 ALA 13 1HB ALA 13 -9.395 -12.244 -7.886 102 HB2 ALA 13 2HB ALA 13 -10.187 -13.587 -7.064 103 HB3 ALA 13 3HB ALA 13 -10.192 -13.507 -8.823 104 H SER 14 H SER 14 -8.728 -14.948 -5.603 105 HA SER 14 HA SER 14 -7.073 -13.249 -4.124 106 HB2 SER 14 2HB SER 14 -8.047 -16.026 -3.406 107 HB3 SER 14 1HB SER 14 -7.530 -14.772 -2.278 108 HG SER 14 HG SER 14 -9.325 -13.645 -2.661 109 H LYS 15 H LYS 15 -6.558 -16.527 -5.384 110 HA LYS 15 HA LYS 15 -4.037 -17.064 -4.242 111 HB2 LYS 15 2HB LYS 15 -5.539 -18.756 -5.229 112 HB3 LYS 15 1HB LYS 15 -5.256 -18.071 -6.818 113 HG2 LYS 15 2HG LYS 15 -2.841 -18.669 -6.543 114 HG3 LYS 15 1HG LYS 15 -3.290 -19.520 -5.063 115 HD2 LYS 15 2HD LYS 15 -4.845 -20.920 -6.340 116 HD3 LYS 15 1HD LYS 15 -4.383 -20.077 -7.820 117 HE2 LYS 15 2HE LYS 15 -2.028 -20.821 -7.380 118 HE3 LYS 15 1HE LYS 15 -2.657 -21.818 -6.073 119 HZ1 LYS 15 1HZ LYS 15 -4.046 -22.992 -7.719 120 HZ2 LYS 15 2HZ LYS 15 -2.406 -23.092 -8.123 121 HZ3 LYS 15 3HZ LYS 15 -3.402 -22.014 -8.927 122 H ASN 16 H ASN 16 -5.006 -15.631 -7.294 123 HA ASN 16 HA ASN 16 -2.480 -15.394 -8.522 124 HB2 ASN 16 2HB ASN 16 -4.727 -15.166 -9.647 125 HB3 ASN 16 1HB ASN 16 -4.868 -13.584 -8.897 126 HD21 ASN 16 1HD2 ASN 16 -3.396 -15.453 -11.344 127 HD22 ASN 16 2HD2 ASN 16 -2.607 -14.162 -12.167 128 H GLN 17 H GLN 17 -4.418 -13.172 -6.596 129 HA GLN 17 HA GLN 17 -2.645 -10.979 -6.676 130 HB2 GLN 17 2HB GLN 17 -5.068 -10.966 -5.965 131 HB3 GLN 17 1HB GLN 17 -4.561 -11.722 -4.472 132 HG2 GLN 17 2HG GLN 17 -3.169 -9.755 -3.969 133 HG3 GLN 17 1HG GLN 17 -3.763 -8.986 -5.442 134 HE21 GLN 17 1HE2 GLN 17 -4.072 -8.042 -2.743 135 HE22 GLN 17 2HE2 GLN 17 -5.767 -7.963 -2.448 136 H LEU 18 H LEU 18 -3.102 -13.606 -4.404 137 HA LEU 18 HA LEU 18 -1.307 -12.890 -2.436 138 HB2 LEU 18 2HB LEU 18 -3.036 -14.704 -2.365 139 HB3 LEU 18 1HB LEU 18 -2.024 -15.672 -3.401 140 HG LEU 18 HG LEU 18 -2.077 -16.306 -0.969 141 HD11 LEU 18 1HD1 LEU 18 0.629 -15.634 -2.094 142 HD12 LEU 18 2HD1 LEU 18 -0.288 -17.112 -2.381 143 HD13 LEU 18 3HD1 LEU 18 0.311 -16.748 -0.765 144 HD21 LEU 18 1HD2 LEU 18 -2.109 -14.121 0.006 145 HD22 LEU 18 2HD2 LEU 18 -0.525 -13.752 -0.680 146 HD23 LEU 18 3HD2 LEU 18 -0.672 -14.977 0.568 147 H GLU 19 H GLU 19 -0.786 -14.885 -5.300 148 HA GLU 19 HA GLU 19 1.954 -15.354 -4.855 149 HB2 GLU 19 2HB GLU 19 0.595 -16.800 -6.252 150 HB3 GLU 19 1HB GLU 19 0.296 -15.484 -7.368 151 HG2 GLU 19 2HG GLU 19 2.626 -15.471 -8.026 152 HG3 GLU 19 1HG GLU 19 2.986 -16.725 -6.836 153 H SER 20 H SER 20 0.274 -12.988 -6.968 154 HA SER 20 HA SER 20 2.717 -12.063 -8.029 155 HB2 SER 20 2HB SER 20 1.303 -10.201 -9.005 156 HB3 SER 20 1HB SER 20 0.817 -11.843 -9.423 157 HG SER 20 HG SER 20 -0.864 -11.722 -8.051 158 H ILE 21 H ILE 21 0.669 -10.810 -5.408 159 HA ILE 21 HA ILE 21 2.151 -8.453 -5.080 160 HB ILE 21 HB ILE 21 0.352 -9.964 -3.170 161 HG12 ILE 21 2HG1 ILE 21 -0.802 -8.997 -5.099 162 HG13 ILE 21 1HG1 ILE 21 -1.259 -8.166 -3.623 163 HG21 ILE 21 1HG2 ILE 21 0.329 -7.981 -1.742 164 HG22 ILE 21 2HG2 ILE 21 1.568 -7.249 -2.773 165 HG23 ILE 21 3HG2 ILE 21 1.936 -8.714 -1.858 166 HD11 ILE 21 1HD1 ILE 21 0.283 -6.330 -4.217 167 HD12 ILE 21 2HD1 ILE 21 -0.979 -6.585 -5.413 168 HD13 ILE 21 3HD1 ILE 21 0.656 -7.162 -5.730 169 H ALA 22 H ALA 22 2.475 -11.677 -3.649 170 HA ALA 22 HA ALA 22 4.461 -11.041 -1.778 171 HB1 ALA 22 1HB ALA 22 4.992 -13.425 -1.760 172 HB2 ALA 22 2HB ALA 22 4.090 -13.647 -3.258 173 HB3 ALA 22 3HB ALA 22 3.246 -13.177 -1.783 174 H TYR 23 H TYR 23 4.743 -12.046 -5.164 175 HA TYR 23 HA TYR 23 7.568 -11.911 -5.172 176 HB2 TYR 23 2HB TYR 23 5.544 -12.031 -7.375 177 HB3 TYR 23 1HB TYR 23 7.234 -11.687 -7.738 178 HD1 TYR 23 1HD TYR 23 4.839 -14.269 -7.020 179 HD2 TYR 23 2HD TYR 23 8.972 -13.297 -6.945 180 HE1 TYR 23 1HE TYR 23 5.401 -16.664 -6.907 181 HE2 TYR 23 2HE TYR 23 9.545 -15.667 -6.840 182 HH TYR 23 HH TYR 23 7.334 -18.119 -7.444 183 H SER 24 H SER 24 5.100 -9.571 -6.089 184 HA SER 24 HA SER 24 6.824 -7.618 -7.114 185 HB2 SER 24 2HB SER 24 4.174 -7.229 -5.700 186 HB3 SER 24 1HB SER 24 4.948 -6.060 -6.766 187 HG SER 24 HG SER 24 3.899 -8.604 -7.401 188 H LEU 25 H LEU 25 5.685 -8.245 -3.857 189 HA LEU 25 HA LEU 25 6.714 -6.042 -2.467 190 HB2 LEU 25 2HB LEU 25 5.149 -7.834 -1.647 191 HB3 LEU 25 1HB LEU 25 6.538 -8.902 -1.564 192 HG LEU 25 HG LEU 25 7.561 -7.427 0.099 193 HD11 LEU 25 1HD1 LEU 25 6.502 -5.323 -0.546 194 HD12 LEU 25 2HD1 LEU 25 6.230 -5.686 1.150 195 HD13 LEU 25 3HD1 LEU 25 4.936 -5.946 -0.018 196 HD21 LEU 25 1HD2 LEU 25 4.781 -8.359 0.774 197 HD22 LEU 25 2HD2 LEU 25 6.064 -8.023 1.933 198 HD23 LEU 25 3HD2 LEU 25 6.237 -9.353 0.786 199 H LYS 26 H LYS 26 8.177 -9.235 -3.093 200 HA LYS 26 HA LYS 26 10.624 -8.617 -1.843 201 HB2 LYS 26 2HB LYS 26 10.010 -10.679 -3.947 202 HB3 LYS 26 1HB LYS 26 11.548 -10.572 -3.106 203 HG2 LYS 26 2HG LYS 26 10.240 -10.882 -0.964 204 HG3 LYS 26 1HG LYS 26 8.852 -11.253 -1.977 205 HD2 LYS 26 2HD LYS 26 11.493 -12.714 -2.120 206 HD3 LYS 26 1HD LYS 26 10.119 -13.260 -1.170 207 HE2 LYS 26 2HE LYS 26 8.792 -13.529 -3.171 208 HE3 LYS 26 1HE LYS 26 10.069 -12.823 -4.157 209 HZ1 LYS 26 1HZ LYS 26 11.442 -14.670 -3.805 210 HZ2 LYS 26 2HZ LYS 26 9.939 -15.396 -4.080 211 HZ3 LYS 26 3HZ LYS 26 10.555 -15.241 -2.527 212 H ASN 27 H ASN 27 9.574 -8.436 -5.197 213 HA ASN 27 HA ASN 27 12.006 -7.691 -6.366 214 HB2 ASN 27 2HB ASN 27 9.218 -6.825 -7.193 215 HB3 ASN 27 1HB ASN 27 10.662 -6.626 -8.171 216 HD21 ASN 27 1HD2 ASN 27 8.269 -8.005 -8.809 217 HD22 ASN 27 2HD2 ASN 27 8.642 -9.654 -9.101 218 H THR 28 H THR 28 9.427 -5.718 -5.013 219 HA THR 28 HA THR 28 10.410 -3.197 -5.564 220 HB THR 28 HB THR 28 8.829 -4.047 -3.130 221 HG1 THR 28 1HG THR 28 7.863 -4.583 -5.193 222 HG21 THR 28 1HG2 THR 28 8.004 -1.735 -3.118 223 HG22 THR 28 2HG2 THR 28 9.059 -1.355 -4.478 224 HG23 THR 28 3HG2 THR 28 9.755 -1.789 -2.914 225 H ILE 29 H ILE 29 11.062 -5.174 -2.619 226 HA ILE 29 HA ILE 29 12.795 -3.222 -1.556 227 HB ILE 29 HB ILE 29 12.476 -6.186 -0.761 228 HG12 ILE 29 2HG1 ILE 29 11.632 -5.311 1.313 229 HG13 ILE 29 1HG1 ILE 29 12.065 -3.671 0.863 230 HG21 ILE 29 1HG2 ILE 29 14.421 -4.245 0.352 231 HG22 ILE 29 2HG2 ILE 29 14.762 -5.750 -0.503 232 HG23 ILE 29 3HG2 ILE 29 13.944 -5.780 1.063 233 HD11 ILE 29 1HD1 ILE 29 9.700 -4.042 0.846 234 HD12 ILE 29 2HD1 ILE 29 9.880 -5.326 -0.361 235 HD13 ILE 29 3HD1 ILE 29 10.301 -3.645 -0.762 236 H SER 30 H SER 30 13.316 -5.938 -3.687 237 HA SER 30 HA SER 30 16.140 -5.948 -3.565 238 HB2 SER 30 2HB SER 30 14.341 -6.869 -5.816 239 HB3 SER 30 1HB SER 30 16.028 -7.330 -5.580 240 HG SER 30 HG SER 30 13.808 -7.931 -3.910 241 H GLU 31 H GLU 31 13.887 -4.010 -5.389 242 HA GLU 31 HA GLU 31 15.726 -2.911 -7.258 243 HB2 GLU 31 2HB GLU 31 13.186 -1.687 -6.139 244 HB3 GLU 31 1HB GLU 31 14.031 -1.159 -7.586 245 HG2 GLU 31 2HG GLU 31 12.719 -3.848 -7.225 246 HG3 GLU 31 1HG GLU 31 12.012 -2.475 -8.070 247 H ALA 32 H ALA 32 14.516 -1.908 -4.111 248 HA ALA 32 HA ALA 32 16.019 0.489 -3.872 249 HB1 ALA 32 1HB ALA 32 14.796 -1.248 -1.718 250 HB2 ALA 32 2HB ALA 32 13.983 0.064 -2.558 251 HB3 ALA 32 3HB ALA 32 15.356 0.411 -1.508 252 H GLY 33 H GLY 33 16.434 -2.756 -2.583 253 HA2 GLY 33 2HA GLY 33 18.239 -3.976 -2.052 254 HA3 GLY 33 1HA GLY 33 19.178 -2.864 -3.027 255 H ASP 34 H ASP 34 20.380 -1.338 -2.074 256 HA ASP 34 HA ASP 34 21.232 -2.011 0.605 257 HB2 ASP 34 2HB ASP 34 23.059 -0.497 0.162 258 HB3 ASP 34 1HB ASP 34 22.853 -1.695 -1.131 259 H LYS 35 H LYS 35 19.143 0.026 -0.659 260 HA LYS 35 HA LYS 35 19.451 2.212 1.203 261 HB2 LYS 35 2HB LYS 35 17.140 1.529 -0.593 262 HB3 LYS 35 1HB LYS 35 17.284 2.985 0.384 263 HG2 LYS 35 2HG LYS 35 19.311 3.593 -0.851 264 HG3 LYS 35 1HG LYS 35 19.104 2.161 -1.865 265 HD2 LYS 35 2HD LYS 35 18.255 4.150 -2.966 266 HD3 LYS 35 1HD LYS 35 16.970 2.986 -2.617 267 HE2 LYS 35 2HE LYS 35 16.250 4.238 -0.706 268 HE3 LYS 35 1HE LYS 35 17.612 5.347 -0.833 269 HZ1 LYS 35 1HZ LYS 35 16.650 6.206 -2.892 270 HZ2 LYS 35 2HZ LYS 35 15.504 6.277 -1.659 271 HZ3 LYS 35 3HZ LYS 35 15.417 5.072 -2.811 272 H LEU 36 H LEU 36 17.778 -0.796 1.107 273 HA LEU 36 HA LEU 36 16.409 -0.045 3.555 274 HB2 LEU 36 2HB LEU 36 15.870 -2.363 1.703 275 HB3 LEU 36 1HB LEU 36 15.010 -2.065 3.202 276 HG LEU 36 HG LEU 36 14.984 -0.282 0.760 277 HD11 LEU 36 1HD1 LEU 36 13.705 -2.289 0.436 278 HD12 LEU 36 2HD1 LEU 36 12.632 -0.901 0.629 279 HD13 LEU 36 3HD1 LEU 36 12.866 -2.025 1.967 280 HD21 LEU 36 1HD2 LEU 36 14.805 1.074 2.761 281 HD22 LEU 36 2HD2 LEU 36 13.546 0.016 3.397 282 HD23 LEU 36 3HD2 LEU 36 13.240 0.986 1.956 283 H GLU 37 H GLU 37 16.629 -1.172 5.370 284 HA GLU 37 HA GLU 37 19.215 -2.218 5.851 285 HB2 GLU 37 2HB GLU 37 16.781 -2.151 7.627 286 HB3 GLU 37 1HB GLU 37 18.452 -2.386 8.134 287 HG2 GLU 37 2HG GLU 37 19.032 -0.168 7.478 288 HG3 GLU 37 1HG GLU 37 17.447 0.079 6.758 289 H GLN 38 H GLN 38 19.814 -4.269 6.465 290 HA GLN 38 HA GLN 38 18.781 -6.369 5.021 291 HB2 GLN 38 2HB GLN 38 21.027 -6.561 5.616 292 HB3 GLN 38 1HB GLN 38 20.702 -6.267 7.312 293 HG2 GLN 38 2HG GLN 38 21.407 -8.582 6.845 294 HG3 GLN 38 1HG GLN 38 19.823 -8.485 7.588 295 HE21 GLN 38 1HE2 GLN 38 19.238 -10.465 6.920 296 HE22 GLN 38 2HE2 GLN 38 18.873 -10.887 5.289 297 H ALA 39 H ALA 39 18.190 -5.842 8.528 298 HA ALA 39 HA ALA 39 16.758 -8.284 8.716 299 HB1 ALA 39 1HB ALA 39 16.495 -5.928 10.588 300 HB2 ALA 39 2HB ALA 39 17.772 -7.138 10.681 301 HB3 ALA 39 3HB ALA 39 16.093 -7.609 10.927 302 H ASP 40 H ASP 40 15.770 -4.988 8.138 303 HA ASP 40 HA ASP 40 12.966 -5.325 8.197 304 HB2 ASP 40 2HB ASP 40 14.665 -3.418 6.567 305 HB3 ASP 40 1HB ASP 40 12.935 -3.260 6.800 306 H LYS 41 H LYS 41 15.247 -5.252 5.552 307 HA LYS 41 HA LYS 41 13.577 -5.923 3.455 308 HB2 LYS 41 2HB LYS 41 15.632 -4.981 2.909 309 HB3 LYS 41 1HB LYS 41 16.514 -6.008 4.005 310 HG2 LYS 41 2HG LYS 41 15.287 -7.164 1.530 311 HG3 LYS 41 1HG LYS 41 16.773 -6.236 1.424 312 HD2 LYS 41 2HD LYS 41 17.709 -7.748 3.249 313 HD3 LYS 41 1HD LYS 41 16.296 -8.767 2.989 314 HE2 LYS 41 2HE LYS 41 16.931 -9.062 0.659 315 HE3 LYS 41 1HE LYS 41 18.306 -7.992 0.897 316 HZ1 LYS 41 1HZ LYS 41 17.903 -10.605 2.244 317 HZ2 LYS 41 2HZ LYS 41 19.184 -9.545 2.534 318 HZ3 LYS 41 3HZ LYS 41 19.004 -10.260 1.011 319 H ASP 42 H ASP 42 15.407 -7.968 5.655 320 HA ASP 42 HA ASP 42 14.719 -10.360 4.315 321 HB2 ASP 42 2HB ASP 42 16.681 -10.254 5.786 322 HB3 ASP 42 1HB ASP 42 15.617 -10.043 7.175 323 H THR 43 H THR 43 13.273 -8.703 7.134 324 HA THR 43 HA THR 43 11.471 -10.738 7.749 325 HB THR 43 HB THR 43 11.067 -7.738 8.034 326 HG1 THR 43 1HG THR 43 12.848 -9.215 9.147 327 HG21 THR 43 1HG2 THR 43 9.465 -8.311 9.793 328 HG22 THR 43 2HG2 THR 43 9.711 -10.026 9.472 329 HG23 THR 43 3HG2 THR 43 8.960 -9.000 8.250 330 H VAL 44 H VAL 44 11.196 -8.074 5.466 331 HA VAL 44 HA VAL 44 8.536 -8.549 4.676 332 HB VAL 44 HB VAL 44 10.788 -7.115 3.202 333 HG11 VAL 44 1HG1 VAL 44 9.092 -6.132 1.821 334 HG12 VAL 44 2HG1 VAL 44 7.853 -7.112 2.606 335 HG13 VAL 44 3HG1 VAL 44 9.104 -7.885 1.625 336 HG21 VAL 44 1HG2 VAL 44 10.138 -6.138 5.313 337 HG22 VAL 44 2HG2 VAL 44 8.448 -6.151 4.804 338 HG23 VAL 44 3HG2 VAL 44 9.621 -5.143 3.953 339 H THR 45 H THR 45 11.610 -9.588 3.189 340 HA THR 45 HA THR 45 10.259 -10.893 1.090 341 HB THR 45 HB THR 45 12.430 -11.851 0.588 342 HG1 THR 45 1HG THR 45 13.529 -10.043 2.510 343 HG21 THR 45 1HG2 THR 45 12.350 -8.852 0.979 344 HG22 THR 45 2HG2 THR 45 11.795 -9.740 -0.441 345 HG23 THR 45 3HG2 THR 45 13.511 -9.683 -0.052 346 H LYS 46 H LYS 46 11.563 -11.915 4.142 347 HA LYS 46 HA LYS 46 11.324 -14.686 3.676 348 HB2 LYS 46 2HB LYS 46 12.912 -14.008 5.279 349 HB3 LYS 46 1HB LYS 46 11.772 -12.991 6.114 350 HG2 LYS 46 2HG LYS 46 11.314 -15.922 6.141 351 HG3 LYS 46 1HG LYS 46 12.643 -15.278 7.104 352 HD2 LYS 46 2HD LYS 46 10.974 -13.643 8.085 353 HD3 LYS 46 1HD LYS 46 9.713 -14.588 7.287 354 HE2 LYS 46 2HE LYS 46 11.702 -15.644 9.285 355 HE3 LYS 46 1HE LYS 46 10.025 -15.232 9.634 356 HZ1 LYS 46 1HZ LYS 46 9.304 -16.892 8.135 357 HZ2 LYS 46 2HZ LYS 46 10.346 -17.594 9.274 358 HZ3 LYS 46 3HZ LYS 46 10.881 -17.316 7.696 359 H LYS 47 H LYS 47 9.116 -12.302 5.080 360 HA LYS 47 HA LYS 47 7.133 -14.225 5.722 361 HB2 LYS 47 2HB LYS 47 7.026 -11.952 6.661 362 HB3 LYS 47 1HB LYS 47 6.828 -11.277 5.053 363 HG2 LYS 47 2HG LYS 47 4.697 -11.299 6.215 364 HG3 LYS 47 1HG LYS 47 4.649 -12.418 4.856 365 HD2 LYS 47 2HD LYS 47 5.061 -14.296 6.426 366 HD3 LYS 47 1HD LYS 47 5.046 -13.145 7.767 367 HE2 LYS 47 2HE LYS 47 2.728 -12.538 7.181 368 HE3 LYS 47 1HE LYS 47 2.758 -13.724 5.881 369 HZ1 LYS 47 1HZ LYS 47 3.055 -14.315 8.773 370 HZ2 LYS 47 2HZ LYS 47 3.093 -15.472 7.567 371 HZ3 LYS 47 3HZ LYS 47 1.669 -14.630 7.873 372 H ALA 48 H ALA 48 7.999 -12.446 2.844 373 HA ALA 48 HA ALA 48 5.780 -13.172 1.257 374 HB1 ALA 48 1HB ALA 48 8.603 -12.459 0.417 375 HB2 ALA 48 2HB ALA 48 7.276 -11.328 0.647 376 HB3 ALA 48 3HB ALA 48 7.202 -12.520 -0.652 377 H GLU 49 H GLU 49 8.934 -14.626 1.800 378 HA GLU 49 HA GLU 49 8.840 -16.794 0.076 379 HB2 GLU 49 2HB GLU 49 10.027 -16.527 2.824 380 HB3 GLU 49 1HB GLU 49 10.262 -17.943 1.820 381 HG2 GLU 49 2HG GLU 49 11.104 -15.131 1.164 382 HG3 GLU 49 1HG GLU 49 12.159 -16.435 1.706 383 H GLU 50 H GLU 50 7.698 -16.569 3.430 384 HA GLU 50 HA GLU 50 6.707 -19.202 3.571 385 HB2 GLU 50 2HB GLU 50 6.009 -16.750 5.182 386 HB3 GLU 50 1HB GLU 50 5.440 -18.371 5.559 387 HG2 GLU 50 2HG GLU 50 7.758 -19.104 5.831 388 HG3 GLU 50 1HG GLU 50 8.305 -17.467 5.478 389 H THR 51 H THR 51 5.429 -16.241 2.450 390 HA THR 51 HA THR 51 2.759 -17.026 2.354 391 HB THR 51 HB THR 51 4.263 -14.949 0.840 392 HG1 THR 51 1HG THR 51 4.224 -14.470 3.014 393 HG21 THR 51 1HG2 THR 51 2.080 -13.858 0.449 394 HG22 THR 51 2HG2 THR 51 1.288 -15.260 1.168 395 HG23 THR 51 3HG2 THR 51 2.192 -15.432 -0.337 396 H ILE 52 H ILE 52 5.335 -17.059 -0.043 397 HA ILE 52 HA ILE 52 3.769 -18.127 -2.162 398 HB ILE 52 HB ILE 52 6.785 -17.989 -1.824 399 HG12 ILE 52 2HG1 ILE 52 4.901 -16.203 -3.373 400 HG13 ILE 52 1HG1 ILE 52 5.528 -15.838 -1.772 401 HG21 ILE 52 1HG2 ILE 52 6.144 -19.686 -3.496 402 HG22 ILE 52 2HG2 ILE 52 6.877 -18.282 -4.274 403 HG23 ILE 52 3HG2 ILE 52 5.129 -18.496 -4.314 404 HD11 ILE 52 1HD1 ILE 52 7.794 -15.805 -2.686 405 HD12 ILE 52 2HD1 ILE 52 6.732 -14.646 -3.488 406 HD13 ILE 52 3HD1 ILE 52 7.139 -16.162 -4.286 407 H SER 53 H SER 53 6.193 -19.565 0.049 408 HA SER 53 HA SER 53 5.956 -22.169 -0.888 409 HB2 SER 53 2HB SER 53 6.716 -21.153 1.859 410 HB3 SER 53 1HB SER 53 6.955 -22.812 1.310 411 HG SER 53 HG SER 53 8.790 -22.010 0.747 412 H TRP 54 H TRP 54 3.967 -20.366 1.332 413 HA TRP 54 HA TRP 54 2.414 -22.475 2.373 414 HB2 TRP 54 2HB TRP 54 2.432 -20.085 3.124 415 HB3 TRP 54 1HB TRP 54 1.505 -19.663 1.718 416 HD1 TRP 54 HD TRP 54 1.168 -20.997 5.202 417 HE1 TRP 54 1HE TRP 54 -1.304 -21.360 5.770 418 HE3 TRP 54 3HE TRP 54 -0.874 -20.476 0.534 419 HZ2 TRP 54 2HZ TRP 54 -3.766 -21.443 4.464 420 HZ3 TRP 54 3HZ TRP 54 -3.303 -20.720 0.298 421 HH2 TRP 54 HH TRP 54 -4.714 -21.191 2.216 422 H LEU 55 H LEU 55 2.082 -20.448 -0.506 423 HA LEU 55 HA LEU 55 -0.347 -21.593 -1.409 424 HB2 LEU 55 2HB LEU 55 0.320 -19.374 -2.127 425 HB3 LEU 55 1HB LEU 55 1.801 -19.985 -2.815 426 HG LEU 55 HG LEU 55 -0.874 -20.790 -3.991 427 HD11 LEU 55 1HD1 LEU 55 0.740 -18.310 -4.586 428 HD12 LEU 55 2HD1 LEU 55 -0.900 -18.362 -3.919 429 HD13 LEU 55 3HD1 LEU 55 -0.595 -18.911 -5.563 430 HD21 LEU 55 1HD2 LEU 55 0.433 -21.031 -6.023 431 HD22 LEU 55 2HD2 LEU 55 1.172 -21.976 -4.730 432 HD23 LEU 55 3HD2 LEU 55 1.874 -20.428 -5.205 433 H ASP 56 H ASP 56 2.940 -22.453 -1.704 434 HA ASP 56 HA ASP 56 2.734 -24.254 -3.895 435 HB2 ASP 56 2HB ASP 56 4.814 -23.144 -3.342 436 HB3 ASP 56 1HB ASP 56 4.793 -23.836 -1.732 437 H SER 57 H SER 57 2.444 -24.496 -0.413 438 HA SER 57 HA SER 57 2.357 -27.365 -0.608 439 HB2 SER 57 2HB SER 57 2.345 -27.171 1.946 440 HB3 SER 57 1HB SER 57 3.799 -26.646 1.087 441 HG SER 57 HG SER 57 3.384 -24.620 1.539 442 H ASN 58 H ASN 58 0.302 -24.664 0.168 443 HA ASN 58 HA ASN 58 -1.945 -26.410 0.920 444 HB2 ASN 58 2HB ASN 58 -1.178 -23.622 1.780 445 HB3 ASN 58 1HB ASN 58 -2.809 -24.231 1.989 446 HD21 ASN 58 1HD2 ASN 58 0.543 -24.616 2.952 447 HD22 ASN 58 2HD2 ASN 58 0.200 -25.496 4.390 448 H THR 59 H THR 59 -1.237 -25.908 -1.737 449 HA THR 59 HA THR 59 -2.498 -23.799 -3.000 450 HB THR 59 HB THR 59 -2.461 -26.519 -4.230 451 HG1 THR 59 1HG THR 59 -0.165 -24.938 -3.549 452 HG21 THR 59 1HG2 THR 59 -1.510 -25.244 -6.089 453 HG22 THR 59 2HG2 THR 59 -1.422 -23.819 -5.050 454 HG23 THR 59 3HG2 THR 59 -2.999 -24.466 -5.519 455 H THR 60 H THR 60 -3.761 -26.859 -1.758 456 HA THR 60 HA THR 60 -6.281 -26.740 -3.056 457 HB THR 60 HB THR 60 -6.569 -28.691 -1.345 458 HG1 THR 60 1HG THR 60 -4.800 -29.174 -0.255 459 HG21 THR 60 1HG2 THR 60 -4.525 -28.772 -3.585 460 HG22 THR 60 2HG2 THR 60 -6.268 -29.004 -3.770 461 HG23 THR 60 3HG2 THR 60 -5.313 -30.180 -2.873 462 H ALA 61 H ALA 61 -5.126 -24.896 -0.562 463 HA ALA 61 HA ALA 61 -7.205 -25.284 1.348 464 HB1 ALA 61 1HB ALA 61 -5.209 -23.047 1.130 465 HB2 ALA 61 2HB ALA 61 -4.981 -24.553 2.022 466 HB3 ALA 61 3HB ALA 61 -6.221 -23.402 2.530 467 H SER 62 H SER 62 -8.246 -23.092 2.165 468 HA SER 62 HA SER 62 -10.187 -22.472 0.165 469 HB2 SER 62 2HB SER 62 -9.875 -21.187 2.868 470 HB3 SER 62 1HB SER 62 -11.350 -21.411 1.932 471 HG SER 62 HG SER 62 -9.806 -23.249 3.344 472 H LYS 63 H LYS 63 -10.725 -20.364 -0.544 473 HA LYS 63 HA LYS 63 -8.489 -18.771 -1.236 474 HB2 LYS 63 2HB LYS 63 -10.125 -17.287 -2.313 475 HB3 LYS 63 1HB LYS 63 -10.400 -18.978 -2.706 476 HG2 LYS 63 2HG LYS 63 -12.194 -18.947 -0.914 477 HG3 LYS 63 1HG LYS 63 -12.018 -17.191 -0.925 478 HD2 LYS 63 2HD LYS 63 -12.446 -17.228 -3.380 479 HD3 LYS 63 1HD LYS 63 -12.763 -18.955 -3.253 480 HE2 LYS 63 2HE LYS 63 -14.333 -16.702 -2.007 481 HE3 LYS 63 1HE LYS 63 -14.848 -17.787 -3.278 482 HZ1 LYS 63 1HZ LYS 63 -15.839 -18.476 -1.263 483 HZ2 LYS 63 2HZ LYS 63 -14.378 -18.442 -0.439 484 HZ3 LYS 63 3HZ LYS 63 -14.659 -19.629 -1.615 485 H GLU 64 H GLU 64 -10.861 -18.683 1.273 486 HA GLU 64 HA GLU 64 -10.414 -16.148 2.339 487 HB2 GLU 64 2HB GLU 64 -11.213 -18.736 3.678 488 HB3 GLU 64 1HB GLU 64 -11.237 -17.177 4.476 489 HG2 GLU 64 2HG GLU 64 -13.464 -17.831 3.792 490 HG3 GLU 64 1HG GLU 64 -12.948 -16.402 2.914 491 H GLU 65 H GLU 65 -8.636 -19.152 2.601 492 HA GLU 65 HA GLU 65 -7.047 -18.331 4.833 493 HB2 GLU 65 2HB GLU 65 -6.753 -20.611 2.876 494 HB3 GLU 65 1HB GLU 65 -5.681 -20.363 4.246 495 HG2 GLU 65 2HG GLU 65 -7.492 -20.694 5.785 496 HG3 GLU 65 1HG GLU 65 -8.658 -20.780 4.473 497 H PHE 66 H PHE 66 -6.611 -18.514 1.331 498 HA PHE 66 HA PHE 66 -3.990 -17.479 1.200 499 HB2 PHE 66 2HB PHE 66 -6.291 -17.240 -0.770 500 HB3 PHE 66 1HB PHE 66 -4.692 -16.612 -1.111 501 HD1 PHE 66 1HD PHE 66 -2.839 -18.143 -1.574 502 HD2 PHE 66 2HD PHE 66 -6.767 -19.623 -0.844 503 HE1 PHE 66 1HE PHE 66 -2.208 -20.312 -2.535 504 HE2 PHE 66 2HE PHE 66 -6.134 -21.786 -1.796 505 HZ PHE 66 HZ PHE 66 -3.855 -22.137 -2.647 506 H ASP 67 H ASP 67 -7.115 -15.942 1.256 507 HA ASP 67 HA ASP 67 -6.388 -13.265 0.979 508 HB2 ASP 67 2HB ASP 67 -8.649 -14.017 0.653 509 HB3 ASP 67 1HB ASP 67 -8.748 -14.579 2.314 510 H ASP 68 H ASP 68 -6.802 -15.240 3.898 511 HA ASP 68 HA ASP 68 -6.644 -13.156 5.782 512 HB2 ASP 68 2HB ASP 68 -7.428 -15.549 6.196 513 HB3 ASP 68 1HB ASP 68 -5.700 -15.942 6.250 514 H LYS 69 H LYS 69 -4.093 -15.426 4.691 515 HA LYS 69 HA LYS 69 -2.378 -13.834 6.206 516 HB2 LYS 69 2HB LYS 69 -0.523 -15.186 5.924 517 HB3 LYS 69 1HB LYS 69 -1.898 -16.281 5.890 518 HG2 LYS 69 2HG LYS 69 -0.727 -15.211 3.403 519 HG3 LYS 69 1HG LYS 69 -0.022 -16.586 4.251 520 HD2 LYS 69 2HD LYS 69 -2.048 -17.777 4.109 521 HD3 LYS 69 1HD LYS 69 -2.844 -16.329 3.453 522 HE2 LYS 69 2HE LYS 69 -2.119 -18.096 1.795 523 HE3 LYS 69 1HE LYS 69 -1.650 -16.393 1.508 524 HZ1 LYS 69 1HZ LYS 69 0.088 -18.530 2.677 525 HZ2 LYS 69 2HZ LYS 69 0.544 -16.956 2.486 526 HZ3 LYS 69 3HZ LYS 69 0.272 -17.910 1.114 527 H LEU 70 H LEU 70 -3.349 -13.578 3.005 528 HA LEU 70 HA LEU 70 -1.295 -11.942 1.987 529 HB2 LEU 70 2HB LEU 70 -3.336 -12.758 0.690 530 HB3 LEU 70 1HB LEU 70 -4.294 -11.618 1.583 531 HG LEU 70 HG LEU 70 -3.743 -10.994 -0.817 532 HD11 LEU 70 1HD1 LEU 70 -4.575 -9.311 0.717 533 HD12 LEU 70 2HD1 LEU 70 -3.367 -8.629 -0.372 534 HD13 LEU 70 3HD1 LEU 70 -2.935 -9.008 1.293 535 HD21 LEU 70 1HD2 LEU 70 -1.019 -10.426 0.341 536 HD22 LEU 70 2HD2 LEU 70 -1.565 -10.014 -1.288 537 HD23 LEU 70 3HD2 LEU 70 -1.405 -11.704 -0.806 538 H LYS 71 H LYS 71 -3.959 -11.323 4.145 539 HA LYS 71 HA LYS 71 -3.503 -8.564 4.459 540 HB2 LYS 71 2HB LYS 71 -5.020 -10.586 6.095 541 HB3 LYS 71 1HB LYS 71 -4.980 -8.866 6.495 542 HG2 LYS 71 2HG LYS 71 -6.058 -8.263 4.504 543 HG3 LYS 71 1HG LYS 71 -5.767 -9.839 3.780 544 HD2 LYS 71 2HD LYS 71 -7.348 -10.859 5.293 545 HD3 LYS 71 1HD LYS 71 -7.568 -9.318 6.133 546 HE2 LYS 71 2HE LYS 71 -8.539 -8.315 4.205 547 HE3 LYS 71 1HE LYS 71 -8.101 -9.688 3.197 548 HZ1 LYS 71 1HZ LYS 71 -9.662 -11.025 4.233 549 HZ2 LYS 71 2HZ LYS 71 -10.459 -9.578 3.864 550 HZ3 LYS 71 3HZ LYS 71 -10.004 -9.905 5.465 551 H GLU 72 H GLU 72 -2.288 -11.405 6.201 552 HA GLU 72 HA GLU 72 -0.777 -9.970 8.157 553 HB2 GLU 72 2HB GLU 72 -0.052 -12.573 6.825 554 HB3 GLU 72 1HB GLU 72 0.777 -11.885 8.194 555 HG2 GLU 72 2HG GLU 72 -1.337 -12.167 9.482 556 HG3 GLU 72 1HG GLU 72 -1.969 -13.082 8.100 557 H LEU 73 H LEU 73 -0.128 -11.057 4.909 558 HA LEU 73 HA LEU 73 2.577 -10.467 4.687 559 HB2 LEU 73 2HB LEU 73 1.207 -11.890 3.163 560 HB3 LEU 73 1HB LEU 73 0.404 -10.466 2.568 561 HG LEU 73 HG LEU 73 2.094 -11.503 1.035 562 HD11 LEU 73 1HD1 LEU 73 3.065 -9.421 0.279 563 HD12 LEU 73 2HD1 LEU 73 2.634 -8.659 1.817 564 HD13 LEU 73 3HD1 LEU 73 1.368 -9.215 0.724 565 HD21 LEU 73 1HD2 LEU 73 4.043 -10.409 3.044 566 HD22 LEU 73 2HD2 LEU 73 4.461 -11.093 1.466 567 HD23 LEU 73 3HD2 LEU 73 3.728 -12.110 2.713 568 H GLN 74 H GLN 74 -0.271 -8.529 3.920 569 HA GLN 74 HA GLN 74 1.110 -6.173 3.210 570 HB2 GLN 74 2HB GLN 74 -1.657 -6.545 4.365 571 HB3 GLN 74 1HB GLN 74 -1.045 -5.020 3.740 572 HG2 GLN 74 2HG GLN 74 -1.318 -7.553 2.140 573 HG3 GLN 74 1HG GLN 74 -2.479 -6.225 2.140 574 HE21 GLN 74 1HE2 GLN 74 0.701 -7.250 1.141 575 HE22 GLN 74 2HE2 GLN 74 0.981 -5.940 0.059 576 H ASP 75 H ASP 75 -0.264 -7.280 6.251 577 HA ASP 75 HA ASP 75 0.203 -5.115 7.905 578 HB2 ASP 75 2HB ASP 75 -1.166 -6.926 8.626 579 HB3 ASP 75 1HB ASP 75 0.174 -8.059 8.498 580 H ILE 76 H ILE 76 2.326 -7.881 7.377 581 HA ILE 76 HA ILE 76 4.389 -7.002 9.112 582 HB ILE 76 HB ILE 76 4.435 -9.021 6.853 583 HG12 ILE 76 2HG1 ILE 76 2.935 -9.646 8.677 584 HG13 ILE 76 1HG1 ILE 76 4.332 -10.711 8.637 585 HG21 ILE 76 1HG2 ILE 76 6.534 -8.564 8.963 586 HG22 ILE 76 2HG2 ILE 76 6.700 -8.245 7.238 587 HG23 ILE 76 3HG2 ILE 76 6.510 -9.900 7.814 588 HD11 ILE 76 1HD1 ILE 76 3.759 -10.154 10.916 589 HD12 ILE 76 2HD1 ILE 76 3.865 -8.435 10.561 590 HD13 ILE 76 3HD1 ILE 76 5.318 -9.436 10.506 591 H ALA 77 H ALA 77 3.763 -6.556 5.710 592 HA ALA 77 HA ALA 77 6.348 -5.506 5.124 593 HB1 ALA 77 1HB ALA 77 3.825 -5.419 3.501 594 HB2 ALA 77 2HB ALA 77 5.047 -6.688 3.445 595 HB3 ALA 77 3HB ALA 77 5.449 -5.046 2.928 596 H ASN 78 H ASN 78 3.277 -4.154 6.041 597 HA ASN 78 HA ASN 78 3.282 -1.637 5.062 598 HB2 ASN 78 2HB ASN 78 2.306 -2.516 7.772 599 HB3 ASN 78 1HB ASN 78 2.130 -0.853 7.236 600 HD21 ASN 78 1HD2 ASN 78 0.097 -2.877 7.854 601 HD22 ASN 78 2HD2 ASN 78 -0.853 -3.026 6.433 602 HA PRO 79 HA PRO 79 5.944 0.433 8.531 603 HB2 PRO 79 2HB PRO 79 7.844 -1.294 9.634 604 HB3 PRO 79 1HB PRO 79 6.393 -0.708 10.450 605 HG2 PRO 79 2HG PRO 79 6.881 -3.321 9.107 606 HG3 PRO 79 1HG PRO 79 5.901 -2.949 10.531 607 HD2 PRO 79 2HD PRO 79 4.821 -3.449 8.110 608 HD3 PRO 79 1HD PRO 79 4.083 -2.329 9.271 609 H ILE 80 H ILE 80 7.428 -2.315 6.827 610 HA ILE 80 HA ILE 80 9.791 -0.803 6.296 611 HB ILE 80 HB ILE 80 8.951 -3.495 5.150 612 HG12 ILE 80 2HG1 ILE 80 10.946 -4.311 6.554 613 HG13 ILE 80 1HG1 ILE 80 10.921 -2.737 7.320 614 HG21 ILE 80 1HG2 ILE 80 10.408 -2.400 3.542 615 HG22 ILE 80 2HG2 ILE 80 11.268 -3.733 4.316 616 HG23 ILE 80 3HG2 ILE 80 11.598 -2.073 4.802 617 HD11 ILE 80 1HD1 ILE 80 8.686 -3.169 8.151 618 HD12 ILE 80 2HD1 ILE 80 9.820 -4.414 8.679 619 HD13 ILE 80 3HD1 ILE 80 8.683 -4.749 7.368 620 H MET 81 H MET 81 6.888 -1.568 4.553 621 HA MET 81 HA MET 81 7.549 -0.450 2.058 622 HB2 MET 81 2HB MET 81 4.898 -0.531 3.523 623 HB3 MET 81 1HB MET 81 5.081 0.089 1.902 624 HG2 MET 81 2HG MET 81 5.850 -2.725 2.574 625 HG3 MET 81 1HG MET 81 4.177 -2.301 2.268 626 HE1 MET 81 1HE MET 81 7.530 -2.665 -0.865 627 HE2 MET 81 2HE MET 81 7.668 -3.046 0.849 628 HE3 MET 81 3HE MET 81 7.718 -1.362 0.303 629 H SER 82 H SER 82 6.372 0.978 5.074 630 HA SER 82 HA SER 82 5.918 3.573 4.124 631 HB2 SER 82 2HB SER 82 6.620 2.656 6.921 632 HB3 SER 82 1HB SER 82 5.887 4.203 6.486 633 HG SER 82 HG SER 82 4.748 1.615 6.117 634 H LYS 83 H LYS 83 8.753 1.978 5.471 635 HA LYS 83 HA LYS 83 10.460 4.145 5.745 636 HB2 LYS 83 2HB LYS 83 11.221 1.379 4.770 637 HB3 LYS 83 1HB LYS 83 12.317 2.558 5.457 638 HG2 LYS 83 2HG LYS 83 11.368 2.283 7.629 639 HG3 LYS 83 1HG LYS 83 10.021 1.340 6.984 640 HD2 LYS 83 2HD LYS 83 11.512 -0.268 7.883 641 HD3 LYS 83 1HD LYS 83 11.775 -0.309 6.143 642 HE2 LYS 83 2HE LYS 83 13.941 -0.244 6.782 643 HE3 LYS 83 1HE LYS 83 13.634 1.493 6.834 644 HZ1 LYS 83 1HZ LYS 83 14.732 0.691 8.835 645 HZ2 LYS 83 2HZ LYS 83 13.462 -0.389 9.091 646 HZ3 LYS 83 3HZ LYS 83 13.178 1.282 9.216 647 H LEU 84 H LEU 84 9.780 2.046 3.010 648 HA LEU 84 HA LEU 84 11.617 3.306 1.255 649 HB2 LEU 84 2HB LEU 84 11.055 0.908 1.078 650 HB3 LEU 84 1HB LEU 84 9.422 1.316 0.652 651 HG LEU 84 HG LEU 84 10.169 2.295 -1.448 652 HD11 LEU 84 1HD1 LEU 84 12.507 2.060 -2.158 653 HD12 LEU 84 2HD1 LEU 84 12.936 1.500 -0.540 654 HD13 LEU 84 3HD1 LEU 84 12.336 3.144 -0.779 655 HD21 LEU 84 1HD2 LEU 84 11.308 -0.448 -0.942 656 HD22 LEU 84 2HD2 LEU 84 10.926 0.246 -2.518 657 HD23 LEU 84 3HD2 LEU 84 9.637 -0.071 -1.361 658 H TYR 85 H TYR 85 8.161 3.701 1.842 659 HA TYR 85 HA TYR 85 7.718 5.254 -0.486 660 HB2 TYR 85 2HB TYR 85 6.100 5.007 2.040 661 HB3 TYR 85 1HB TYR 85 5.648 6.130 0.766 662 HD1 TYR 85 1HD TYR 85 5.590 4.956 -1.670 663 HD2 TYR 85 2HD TYR 85 5.060 2.952 2.041 664 HE1 TYR 85 1HE TYR 85 4.365 3.158 -2.817 665 HE2 TYR 85 2HE TYR 85 3.837 1.154 0.891 666 HH TYR 85 HH TYR 85 2.773 0.632 -1.004 667 H GLN 86 H GLN 86 9.175 6.048 2.490 668 HA GLN 86 HA GLN 86 8.944 8.850 1.710 669 HB2 GLN 86 2HB GLN 86 9.658 9.451 3.989 670 HB3 GLN 86 1HB GLN 86 8.174 8.519 3.939 671 HG2 GLN 86 2HG GLN 86 9.419 6.525 4.594 672 HG3 GLN 86 1HG GLN 86 10.899 7.485 4.664 673 HE21 GLN 86 1HE2 GLN 86 11.094 9.035 6.223 674 HE22 GLN 86 2HE2 GLN 86 10.149 9.037 7.664 675 H ALA 87 H ALA 87 11.383 6.421 2.448 676 HA ALA 87 HA ALA 87 13.525 8.308 1.906 677 HB1 ALA 87 1HB ALA 87 13.636 5.332 2.436 678 HB2 ALA 87 2HB ALA 87 13.834 6.607 3.640 679 HB3 ALA 87 3HB ALA 87 15.027 6.417 2.353 680 H GLY 88 H GLY 88 11.444 7.096 -0.029 681 HA2 GLY 88 2HA GLY 88 13.266 6.991 -2.288 682 HA3 GLY 88 1HA GLY 88 12.211 5.597 -2.026 683 H GLY 89 H GLY 89 9.929 6.279 -1.474 684 HA2 GLY 89 2HA GLY 89 8.071 7.647 -1.853 685 HA3 GLY 89 1HA GLY 89 9.062 8.688 -2.868 686 H ALA 90 H ALA 90 6.665 6.447 -2.842 687 HA ALA 90 HA ALA 90 5.808 4.869 -4.245 688 HB1 ALA 90 1HB ALA 90 6.096 7.175 -6.171 689 HB2 ALA 90 2HB ALA 90 4.854 7.042 -4.927 690 HB3 ALA 90 3HB ALA 90 4.904 5.876 -6.251 691 HA PRO 91 HA PRO 91 9.705 3.454 -6.254 692 HB2 PRO 91 2HB PRO 91 9.756 0.988 -5.217 693 HB3 PRO 91 1HB PRO 91 10.264 2.396 -4.273 694 HG2 PRO 91 2HG PRO 91 7.636 0.953 -4.244 695 HG3 PRO 91 1HG PRO 91 8.621 1.491 -2.872 696 HD2 PRO 91 2HD PRO 91 6.481 2.880 -3.778 697 HD3 PRO 91 1HD PRO 91 7.891 3.667 -3.042 698 H GLY 92 H GLY 92 6.490 2.677 -6.589 699 HA2 GLY 92 2HA GLY 92 6.691 0.350 -8.226 700 HA3 GLY 92 1HA GLY 92 5.280 1.383 -8.043 701 H GLY 93 H GLY 93 6.468 0.209 -10.429 702 HA2 GLY 93 2HA GLY 93 6.688 2.692 -11.946 703 HA3 GLY 93 1HA GLY 93 7.895 1.431 -12.183 704 H ALA 94 H ALA 94 7.514 0.437 -14.015 705 HA ALA 94 HA ALA 94 4.811 -0.596 -14.489 706 HB1 ALA 94 1HB ALA 94 6.518 0.780 -16.570 707 HB2 ALA 94 2HB ALA 94 5.063 1.447 -15.831 708 HB3 ALA 94 3HB ALA 94 4.955 0.017 -16.857 709 H ALA 95 H ALA 95 7.611 -1.527 -13.634 710 HA ALA 95 HA ALA 95 8.970 -3.309 -13.836 711 HB1 ALA 95 1HB ALA 95 8.053 -5.386 -14.797 712 HB2 ALA 95 2HB ALA 95 6.725 -4.473 -15.514 713 HB3 ALA 95 3HB ALA 95 6.862 -4.595 -13.760 714 H GLY 96 H GLY 96 9.215 -1.155 -15.637 715 HA2 GLY 96 2HA GLY 96 9.748 -2.191 -18.280 716 HA3 GLY 96 1HA GLY 96 10.000 -0.541 -17.723 717 H GLY 97 H GLY 97 11.607 -1.373 -15.452 718 HA2 GLY 97 2HA GLY 97 14.120 -1.333 -16.823 719 HA3 GLY 97 1HA GLY 97 13.901 -1.372 -15.080 720 H ALA 98 H ALA 98 12.375 -3.641 -14.870 721 HA ALA 98 HA ALA 98 14.015 -5.757 -15.998 722 HB1 ALA 98 1HB ALA 98 13.954 -6.926 -13.823 723 HB2 ALA 98 2HB ALA 98 13.149 -5.531 -13.102 724 HB3 ALA 98 3HB ALA 98 14.803 -5.386 -13.700 725 HA PRO 99 HA PRO 99 9.684 -6.589 -16.848 726 HB2 PRO 99 2HB PRO 99 10.043 -8.201 -18.950 727 HB3 PRO 99 1HB PRO 99 10.302 -6.458 -19.069 728 HG2 PRO 99 2HG PRO 99 12.319 -8.647 -18.752 729 HG3 PRO 99 1HG PRO 99 12.376 -7.221 -19.801 730 HD2 PRO 99 2HD PRO 99 13.662 -7.390 -17.392 731 HD3 PRO 99 1HD PRO 99 13.121 -5.861 -18.115 732 H GLY 100 H GLY 100 11.812 -8.451 -15.305 733 HA2 GLY 100 2HA GLY 100 11.298 -10.275 -13.895 734 HA3 GLY 100 1HA GLY 100 9.880 -10.607 -14.889 735 H GLY 101 H GLY 101 10.703 -10.867 -17.297 736 HA2 GLY 101 2HA GLY 101 12.675 -13.033 -17.234 737 HA3 GLY 101 1HA GLY 101 11.399 -12.845 -18.446
Contact the webmaster for help, if required. Monday, April 29, 2024 12:27:10 AM GMT (wattos1)