NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
142407 | 2kla | 16389 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -2 H GLY -2 18.686 4.336 7.922 2 HA2 GLY -2 HA2 GLY -2 20.955 3.482 6.202 3 HA3 GLY -2 HA3 GLY -2 20.939 3.368 7.975 4 H HIS -1 H HIS -1 19.469 2.212 4.983 5 HA HIS -1 HA HIS -1 18.363 0.474 4.403 6 HB2 HIS -1 HB2 HIS -1 19.974 -0.925 6.530 7 HB3 HIS -1 HB3 HIS -1 19.057 -1.739 5.262 8 HD1 HIS -1 HD1 HIS -1 22.200 0.420 5.696 9 HD2 HIS -1 HD2 HIS -1 19.940 -1.557 2.715 10 HE1 HIS -1 HE1 HIS -1 23.531 0.585 3.491 11 H MET 1 H MET 1 16.964 -1.585 5.220 12 HA MET 1 HA MET 1 15.510 -1.211 7.607 13 HB2 MET 1 HB2 MET 1 14.245 0.471 6.086 14 HB3 MET 1 HB3 MET 1 13.838 -0.898 5.058 15 HG2 MET 1 HG2 MET 1 13.389 -1.495 7.910 16 HG3 MET 1 HG3 MET 1 12.438 -0.083 7.362 17 HE1 MET 1 HE1 MET 1 11.489 -2.705 8.716 18 HE2 MET 1 HE2 MET 1 10.364 -1.433 8.195 19 HE3 MET 1 HE3 MET 1 10.050 -3.134 7.763 20 H ILE 2 H ILE 2 14.274 -3.198 8.007 21 HA ILE 2 HA ILE 2 14.590 -5.294 5.943 22 HB ILE 2 HB ILE 2 15.129 -5.551 8.901 23 HG12 ILE 2 HG12 ILE 2 17.209 -5.543 6.638 24 HG13 ILE 2 HG13 ILE 2 16.944 -4.197 7.748 25 HG21 ILE 2 HG21 ILE 2 14.268 -7.558 7.968 26 HG22 ILE 2 HG22 ILE 2 15.424 -7.500 6.616 27 HG23 ILE 2 HG23 ILE 2 15.982 -7.806 8.275 28 HD11 ILE 2 HD11 ILE 2 18.794 -5.302 8.605 29 HD12 ILE 2 HD12 ILE 2 17.431 -5.726 9.662 30 HD13 ILE 2 HD13 ILE 2 18.043 -6.901 8.449 31 H ASN 3 H ASN 3 12.861 -6.487 5.713 32 HA ASN 3 HA ASN 3 10.977 -7.514 5.888 33 HB2 ASN 3 HB2 ASN 3 11.882 -8.476 7.919 34 HB3 ASN 3 HB3 ASN 3 11.149 -7.185 8.883 35 HD21 ASN 3 HD21 ASN 3 9.679 -8.503 10.026 36 HD22 ASN 3 HD22 ASN 3 8.325 -9.299 9.272 37 H MET 4 H MET 4 10.583 -5.241 4.905 38 HA MET 4 HA MET 4 8.296 -3.820 6.151 39 HB2 MET 4 HB2 MET 4 10.324 -3.194 4.253 40 HB3 MET 4 HB3 MET 4 8.847 -3.244 3.336 41 HG2 MET 4 HG2 MET 4 7.894 -1.455 4.615 42 HG3 MET 4 HG3 MET 4 9.152 -1.573 5.838 43 HE1 MET 4 HE1 MET 4 10.251 0.600 6.005 44 HE2 MET 4 HE2 MET 4 10.644 1.692 4.670 45 HE3 MET 4 HE3 MET 4 8.944 1.335 5.056 46 H LYS 5 H LYS 5 6.273 -3.846 5.081 47 HA LYS 5 HA LYS 5 5.801 -5.647 2.806 48 HB2 LYS 5 HB2 LYS 5 4.673 -6.084 5.606 49 HB3 LYS 5 HB3 LYS 5 3.618 -6.338 4.234 50 HG2 LYS 5 HG2 LYS 5 5.330 -7.860 3.228 51 HG3 LYS 5 HG3 LYS 5 6.235 -7.737 4.735 52 HD2 LYS 5 HD2 LYS 5 5.015 -9.677 5.107 53 HD3 LYS 5 HD3 LYS 5 3.989 -8.451 5.875 54 HE2 LYS 5 HE2 LYS 5 2.493 -9.728 4.559 55 HE3 LYS 5 HE3 LYS 5 2.777 -8.270 3.599 56 HZ1 LYS 5 HZ1 LYS 5 2.866 -10.252 2.301 57 HZ2 LYS 5 HZ2 LYS 5 4.063 -10.908 3.227 58 HZ3 LYS 5 HZ3 LYS 5 4.370 -9.575 2.311 59 H VAL 6 H VAL 6 4.590 -4.311 1.425 60 HA VAL 6 HA VAL 6 2.616 -2.496 2.717 61 HB VAL 6 HB VAL 6 4.627 -1.888 0.563 62 HG11 VAL 6 HG11 VAL 6 3.592 0.296 0.219 63 HG12 VAL 6 HG12 VAL 6 2.521 -0.999 -0.306 64 HG13 VAL 6 HG13 VAL 6 2.218 -0.173 1.244 65 HG21 VAL 6 HG21 VAL 6 3.903 -0.665 3.232 66 HG22 VAL 6 HG22 VAL 6 5.427 -1.456 2.773 67 HG23 VAL 6 HG23 VAL 6 4.976 0.088 2.034 68 H ALA 7 H ALA 7 0.745 -2.117 1.525 69 HA ALA 7 HA ALA 7 0.339 -3.791 -0.928 70 HB1 ALA 7 HB1 ALA 7 -1.248 -4.379 0.882 71 HB2 ALA 7 HB2 ALA 7 -1.728 -2.674 1.033 72 HB3 ALA 7 HB3 ALA 7 -2.086 -3.576 -0.457 73 H ILE 8 H ILE 8 0.575 -2.507 -2.761 74 HA ILE 8 HA ILE 8 -0.123 0.395 -2.553 75 HB ILE 8 HB ILE 8 1.555 -0.995 -4.682 76 HG12 ILE 8 HG12 ILE 8 2.353 0.554 -2.193 77 HG13 ILE 8 HG13 ILE 8 2.803 -1.098 -2.627 78 HG21 ILE 8 HG21 ILE 8 0.331 1.099 -5.368 79 HG22 ILE 8 HG22 ILE 8 1.154 1.975 -4.070 80 HG23 ILE 8 HG23 ILE 8 2.073 1.277 -5.427 81 HD11 ILE 8 HD11 ILE 8 3.813 1.452 -3.955 82 HD12 ILE 8 HD12 ILE 8 4.703 0.345 -2.917 83 HD13 ILE 8 HD13 ILE 8 4.168 -0.205 -4.521 84 H SER 9 H SER 9 -1.916 1.087 -3.605 85 HA SER 9 HA SER 9 -3.697 -0.868 -4.728 86 HB2 SER 9 HB2 SER 9 -5.298 0.952 -4.675 87 HB3 SER 9 HB3 SER 9 -4.412 0.885 -3.174 88 HG SER 9 HG SER 9 -4.507 2.804 -5.141 89 H MET 10 H MET 10 -3.351 -1.603 -6.847 90 HA MET 10 HA MET 10 -2.268 0.356 -8.791 91 HB2 MET 10 HB2 MET 10 -2.413 -2.673 -8.910 92 HB3 MET 10 HB3 MET 10 -1.629 -1.639 -10.093 93 HG2 MET 10 HG2 MET 10 -0.577 -1.008 -7.472 94 HG3 MET 10 HG3 MET 10 -0.647 -2.725 -7.604 95 HE1 MET 10 HE1 MET 10 0.355 0.162 -10.252 96 HE2 MET 10 HE2 MET 10 1.827 -0.568 -10.937 97 HE3 MET 10 HE3 MET 10 0.246 -1.298 -11.253 98 H ASP 11 H ASP 11 -3.109 0.516 -10.853 99 HA ASP 11 HA ASP 11 -5.913 -0.436 -11.293 100 HB2 ASP 11 HB2 ASP 11 -4.806 2.075 -11.794 101 HB3 ASP 11 HB3 ASP 11 -4.429 1.275 -13.261 102 H VAL 12 H VAL 12 -3.255 -0.092 -13.716 103 HA VAL 12 HA VAL 12 -3.316 -3.063 -14.068 104 HB VAL 12 HB VAL 12 -3.903 -0.853 -16.044 105 HG11 VAL 12 HG11 VAL 12 -3.341 -3.786 -16.669 106 HG12 VAL 12 HG12 VAL 12 -4.037 -2.620 -17.807 107 HG13 VAL 12 HG13 VAL 12 -2.389 -2.388 -17.212 108 HG21 VAL 12 HG21 VAL 12 -5.410 -3.331 -15.037 109 HG22 VAL 12 HG22 VAL 12 -5.889 -1.633 -14.849 110 HG23 VAL 12 HG23 VAL 12 -5.940 -2.396 -16.429 111 H ASP 13 H ASP 13 -1.814 0.093 -14.793 112 HA ASP 13 HA ASP 13 0.790 -1.264 -14.683 113 HB2 ASP 13 HB2 ASP 13 -0.215 -0.879 -17.047 114 HB3 ASP 13 HB3 ASP 13 0.089 0.837 -16.772 115 H LYS 14 H LYS 14 -1.050 0.994 -13.218 116 HA LYS 14 HA LYS 14 1.244 2.118 -11.868 117 HB2 LYS 14 HB2 LYS 14 0.545 4.569 -12.362 118 HB3 LYS 14 HB3 LYS 14 1.509 3.707 -13.511 119 HG2 LYS 14 HG2 LYS 14 -1.337 3.357 -14.056 120 HG3 LYS 14 HG3 LYS 14 -1.041 4.996 -13.913 121 HD2 LYS 14 HD2 LYS 14 -0.142 2.910 -15.920 122 HD3 LYS 14 HD3 LYS 14 -0.812 4.494 -16.211 123 HE2 LYS 14 HE2 LYS 14 1.232 5.045 -16.862 124 HE3 LYS 14 HE3 LYS 14 1.609 5.206 -15.150 125 HZ1 LYS 14 HZ1 LYS 14 3.292 3.820 -15.981 126 HZ2 LYS 14 HZ2 LYS 14 2.308 2.994 -16.975 127 HZ3 LYS 14 HZ3 LYS 14 2.268 2.712 -15.362 128 H ILE 15 H ILE 15 0.338 4.055 -10.443 129 HA ILE 15 HA ILE 15 -1.324 2.934 -8.503 130 HB ILE 15 HB ILE 15 -0.464 5.786 -9.106 131 HG12 ILE 15 HG12 ILE 15 0.464 3.831 -6.946 132 HG13 ILE 15 HG13 ILE 15 1.238 3.977 -8.521 133 HG21 ILE 15 HG21 ILE 15 -1.061 6.237 -6.678 134 HG22 ILE 15 HG22 ILE 15 -2.433 6.060 -7.780 135 HG23 ILE 15 HG23 ILE 15 -1.990 4.730 -6.696 136 HD11 ILE 15 HD11 ILE 15 1.129 6.181 -6.454 137 HD12 ILE 15 HD12 ILE 15 2.520 5.178 -6.894 138 HD13 ILE 15 HD13 ILE 15 1.840 6.303 -8.077 139 H SER 16 H SER 16 -3.374 2.735 -8.220 140 HA SER 16 HA SER 16 -5.363 3.568 -10.204 141 HB2 SER 16 HB2 SER 16 -6.975 2.572 -8.522 142 HB3 SER 16 HB3 SER 16 -5.762 1.465 -9.149 143 HG SER 16 HG SER 16 -4.538 1.849 -7.237 144 H ASN 17 H ASN 17 -7.223 4.893 -9.628 145 HA ASN 17 HA ASN 17 -6.587 7.349 -8.447 146 HB2 ASN 17 HB2 ASN 17 -8.339 7.098 -10.058 147 HB3 ASN 17 HB3 ASN 17 -9.285 6.035 -9.001 148 HD21 ASN 17 HD21 ASN 17 -10.377 7.014 -7.109 149 HD22 ASN 17 HD22 ASN 17 -10.517 8.754 -6.952 150 H SER 18 H SER 18 -8.253 4.554 -6.843 151 HA SER 18 HA SER 18 -7.710 5.755 -4.257 152 HB2 SER 18 HB2 SER 18 -10.223 5.625 -3.679 153 HB3 SER 18 HB3 SER 18 -9.668 7.020 -4.620 154 HG SER 18 HG SER 18 -11.570 6.126 -5.485 155 H PHE 19 H PHE 19 -8.290 4.259 -2.517 156 HA PHE 19 HA PHE 19 -7.496 1.676 -3.070 157 HB2 PHE 19 HB2 PHE 19 -7.328 2.736 -0.880 158 HB3 PHE 19 HB3 PHE 19 -9.070 2.821 -0.752 159 HD1 PHE 19 HD2 PHE 19 -10.396 0.552 -0.612 160 HD2 PHE 19 HD1 PHE 19 -6.152 0.907 0.129 161 HE1 PHE 19 HE2 PHE 19 -10.447 -1.528 0.720 162 HE2 PHE 19 HE1 PHE 19 -6.216 -1.192 1.413 163 HZ PHE 19 HZ PHE 19 -8.347 -2.420 1.720 164 H GLU 20 H GLU 20 -10.752 2.986 -2.688 165 HA GLU 20 HA GLU 20 -12.267 0.630 -2.931 166 HB2 GLU 20 HB2 GLU 20 -12.675 3.499 -2.766 167 HB3 GLU 20 HB3 GLU 20 -13.858 2.771 -3.862 168 HG2 GLU 20 HG2 GLU 20 -13.252 1.670 -1.098 169 HG3 GLU 20 HG3 GLU 20 -14.362 3.001 -1.347 170 H ASP 21 H ASP 21 -10.445 2.239 -5.413 171 HA ASP 21 HA ASP 21 -12.036 0.843 -7.501 172 HB2 ASP 21 HB2 ASP 21 -12.466 3.257 -7.531 173 HB3 ASP 21 HB3 ASP 21 -10.727 3.562 -7.736 174 H CYS 22 H CYS 22 -9.266 0.352 -5.921 175 HA CYS 22 HA CYS 22 -7.466 0.117 -8.210 176 HB2 CYS 22 HB2 CYS 22 -5.986 -1.100 -6.859 177 HB3 CYS 22 HB3 CYS 22 -6.681 0.131 -5.816 178 HG CYS 22 HG CYS 22 -8.664 -1.716 -5.032 179 H LYS 23 H LYS 23 -6.758 -1.919 -9.051 180 HA LYS 23 HA LYS 23 -9.021 -3.815 -9.590 181 HB2 LYS 23 HB2 LYS 23 -6.569 -2.915 -11.055 182 HB3 LYS 23 HB3 LYS 23 -7.471 -4.302 -11.609 183 HG2 LYS 23 HG2 LYS 23 -7.839 -2.199 -12.914 184 HG3 LYS 23 HG3 LYS 23 -9.291 -2.974 -12.311 185 HD2 LYS 23 HD2 LYS 23 -9.539 -1.319 -10.563 186 HD3 LYS 23 HD3 LYS 23 -8.035 -0.526 -11.057 187 HE2 LYS 23 HE2 LYS 23 -9.163 -0.222 -13.351 188 HE3 LYS 23 HE3 LYS 23 -10.672 -0.737 -12.562 189 HZ1 LYS 23 HZ1 LYS 23 -10.607 1.590 -12.459 190 HZ2 LYS 23 HZ2 LYS 23 -9.023 1.637 -12.002 191 HZ3 LYS 23 HZ3 LYS 23 -10.187 1.157 -10.941 192 H TYR 24 H TYR 24 -5.614 -3.419 -8.493 193 HA TYR 24 HA TYR 24 -5.933 -5.855 -7.025 194 HB2 TYR 24 HB2 TYR 24 -3.942 -6.997 -7.815 195 HB3 TYR 24 HB3 TYR 24 -5.030 -6.753 -9.161 196 HD1 TYR 24 HD1 TYR 24 -4.554 -5.118 -10.926 197 HD2 TYR 24 HD2 TYR 24 -1.705 -5.991 -7.791 198 HE1 TYR 24 HE1 TYR 24 -2.736 -4.083 -12.256 199 HE2 TYR 24 HE2 TYR 24 0.072 -4.987 -9.086 200 HH TYR 24 HH TYR 24 0.647 -4.285 -11.265 201 H PHE 25 H PHE 25 -4.117 -6.142 -5.579 202 HA PHE 25 HA PHE 25 -2.745 -3.636 -4.748 203 HB2 PHE 25 HB2 PHE 25 -3.216 -6.232 -3.230 204 HB3 PHE 25 HB3 PHE 25 -2.371 -4.823 -2.621 205 HD1 PHE 25 HD2 PHE 25 -3.560 -2.774 -2.074 206 HD2 PHE 25 HD1 PHE 25 -5.646 -6.274 -3.462 207 HE1 PHE 25 HE2 PHE 25 -5.665 -1.915 -1.061 208 HE2 PHE 25 HE1 PHE 25 -7.803 -5.313 -2.647 209 HZ PHE 25 HZ PHE 25 -7.811 -3.153 -1.414 210 H LEU 26 H LEU 26 -0.639 -3.565 -5.156 211 HA LEU 26 HA LEU 26 0.899 -5.994 -5.837 212 HB2 LEU 26 HB2 LEU 26 1.131 -3.787 -7.070 213 HB3 LEU 26 HB3 LEU 26 1.917 -3.135 -5.637 214 HG LEU 26 HG LEU 26 3.471 -3.768 -7.324 215 HD11 LEU 26 HD11 LEU 26 3.808 -6.024 -5.345 216 HD12 LEU 26 HD12 LEU 26 3.966 -4.313 -4.859 217 HD13 LEU 26 HD13 LEU 26 5.020 -4.967 -6.114 218 HD21 LEU 26 HD21 LEU 26 2.006 -5.568 -8.399 219 HD22 LEU 26 HD22 LEU 26 2.674 -6.710 -7.226 220 HD23 LEU 26 HD23 LEU 26 3.744 -5.867 -8.348 221 H ILE 27 H ILE 27 1.640 -7.136 -4.074 222 HA ILE 27 HA ILE 27 2.084 -5.764 -1.510 223 HB ILE 27 HB ILE 27 2.324 -8.682 -2.173 224 HG12 ILE 27 HG12 ILE 27 0.025 -8.165 -2.325 225 HG13 ILE 27 HG13 ILE 27 0.290 -8.980 -0.791 226 HG21 ILE 27 HG21 ILE 27 3.333 -9.087 -0.277 227 HG22 ILE 27 HG22 ILE 27 3.428 -7.369 0.097 228 HG23 ILE 27 HG23 ILE 27 2.045 -8.355 0.634 229 HD11 ILE 27 HD11 ILE 27 -0.193 -6.003 -1.231 230 HD12 ILE 27 HD12 ILE 27 -1.262 -7.154 -0.425 231 HD13 ILE 27 HD13 ILE 27 0.267 -6.695 0.337 232 H VAL 28 H VAL 28 3.930 -4.625 -1.506 233 HA VAL 28 HA VAL 28 6.317 -5.477 -3.034 234 HB VAL 28 HB VAL 28 5.891 -3.153 -1.105 235 HG11 VAL 28 HG11 VAL 28 8.080 -3.637 -3.186 236 HG12 VAL 28 HG12 VAL 28 7.887 -2.159 -2.237 237 HG13 VAL 28 HG13 VAL 28 8.296 -3.666 -1.419 238 HG21 VAL 28 HG21 VAL 28 5.789 -3.120 -4.148 239 HG22 VAL 28 HG22 VAL 28 4.407 -2.862 -3.047 240 HG23 VAL 28 HG23 VAL 28 5.744 -1.707 -3.087 241 H ARG 29 H ARG 29 8.162 -6.380 -2.038 242 HA ARG 29 HA ARG 29 8.094 -6.932 0.899 243 HB2 ARG 29 HB2 ARG 29 7.894 -8.939 -0.642 244 HB3 ARG 29 HB3 ARG 29 9.332 -8.451 -1.474 245 HG2 ARG 29 HG2 ARG 29 10.652 -9.535 -0.107 246 HG3 ARG 29 HG3 ARG 29 9.952 -8.750 1.328 247 HD2 ARG 29 HD2 ARG 29 8.026 -10.449 1.025 248 HD3 ARG 29 HD3 ARG 29 9.077 -11.284 -0.131 249 HE ARG 29 HE ARG 29 10.616 -10.873 2.136 250 HH11 ARG 29 HH11 ARG 29 7.434 -12.405 1.572 251 HH12 ARG 29 HH12 ARG 29 7.611 -13.503 2.915 252 HH21 ARG 29 HH21 ARG 29 10.680 -12.150 4.004 253 HH22 ARG 29 HH22 ARG 29 9.336 -13.161 4.438 254 H ILE 30 H ILE 30 9.810 -5.761 1.919 255 HA ILE 30 HA ILE 30 12.215 -5.125 0.299 256 HB ILE 30 HB ILE 30 10.627 -3.317 2.092 257 HG12 ILE 30 HG12 ILE 30 11.928 -2.460 -0.490 258 HG13 ILE 30 HG13 ILE 30 10.453 -3.425 -0.534 259 HG21 ILE 30 HG21 ILE 30 13.554 -2.881 1.410 260 HG22 ILE 30 HG22 ILE 30 12.481 -1.647 2.111 261 HG23 ILE 30 HG23 ILE 30 12.847 -3.071 3.041 262 HD11 ILE 30 HD11 ILE 30 10.736 -0.778 0.913 263 HD12 ILE 30 HD12 ILE 30 9.824 -1.083 -0.567 264 HD13 ILE 30 HD13 ILE 30 9.326 -1.821 0.981 265 H ASP 31 H ASP 31 14.059 -5.731 1.300 266 HA ASP 31 HA ASP 31 13.864 -6.658 4.138 267 HB2 ASP 31 HB2 ASP 31 14.650 -8.203 1.657 268 HB3 ASP 31 HB3 ASP 31 15.396 -8.601 3.169 269 H ASP 32 H ASP 32 15.558 -4.652 2.126 270 HA ASP 32 HA ASP 32 17.407 -4.045 4.151 271 HB2 ASP 32 HB2 ASP 32 18.723 -5.986 3.554 272 HB3 ASP 32 HB3 ASP 32 18.742 -5.497 1.860 273 H ASN 33 H ASN 33 15.807 -2.459 3.333 274 HA ASN 33 HA ASN 33 15.153 -0.516 2.264 275 HB2 ASN 33 HB2 ASN 33 18.026 -0.242 2.557 276 HB3 ASN 33 HB3 ASN 33 17.566 0.506 1.093 277 HD21 ASN 33 HD21 ASN 33 15.368 0.553 4.053 278 HD22 ASN 33 HD22 ASN 33 15.604 2.281 4.206 279 H GLU 34 H GLU 34 15.984 -3.040 0.428 280 HA GLU 34 HA GLU 34 14.992 -1.720 -2.043 281 HB2 GLU 34 HB2 GLU 34 17.360 -3.590 -1.664 282 HB3 GLU 34 HB3 GLU 34 16.434 -3.672 -3.146 283 HG2 GLU 34 HG2 GLU 34 17.887 -1.234 -2.089 284 HG3 GLU 34 HG3 GLU 34 18.327 -2.238 -3.471 285 H VAL 35 H VAL 35 13.912 -3.054 -3.414 286 HA VAL 35 HA VAL 35 12.082 -4.766 -2.002 287 HB VAL 35 HB VAL 35 11.067 -3.144 -3.332 288 HG11 VAL 35 HG11 VAL 35 11.380 -2.843 -5.756 289 HG12 VAL 35 HG12 VAL 35 12.863 -2.507 -4.872 290 HG13 VAL 35 HG13 VAL 35 12.684 -4.040 -5.748 291 HG21 VAL 35 HG21 VAL 35 9.677 -4.386 -4.891 292 HG22 VAL 35 HG22 VAL 35 10.841 -5.703 -4.975 293 HG23 VAL 35 HG23 VAL 35 9.970 -5.367 -3.458 294 H LYS 36 H LYS 36 12.524 -6.899 -1.759 295 HA LYS 36 HA LYS 36 14.296 -8.159 -3.833 296 HB2 LYS 36 HB2 LYS 36 13.739 -9.489 -1.196 297 HB3 LYS 36 HB3 LYS 36 14.985 -9.795 -2.368 298 HG2 LYS 36 HG2 LYS 36 14.831 -7.436 -0.456 299 HG3 LYS 36 HG3 LYS 36 15.994 -8.761 -0.487 300 HD2 LYS 36 HD2 LYS 36 16.509 -7.792 -2.902 301 HD3 LYS 36 HD3 LYS 36 15.747 -6.329 -2.265 302 HE2 LYS 36 HE2 LYS 36 18.032 -7.795 -0.913 303 HE3 LYS 36 HE3 LYS 36 18.260 -6.453 -2.071 304 HZ1 LYS 36 HZ1 LYS 36 18.307 -5.411 -0.129 305 HZ2 LYS 36 HZ2 LYS 36 17.303 -6.422 0.649 306 HZ3 LYS 36 HZ3 LYS 36 16.692 -5.265 -0.430 307 H SER 37 H SER 37 10.939 -8.043 -3.198 308 HA SER 37 HA SER 37 10.543 -9.654 -5.422 309 HB2 SER 37 HB2 SER 37 9.114 -11.484 -4.272 310 HB3 SER 37 HB3 SER 37 10.856 -11.668 -4.314 311 HG SER 37 HG SER 37 10.995 -11.484 -2.274 312 H THR 38 H THR 38 7.939 -10.255 -5.524 313 HA THR 38 HA THR 38 6.377 -8.093 -4.343 314 HB THR 38 HB THR 38 5.616 -7.642 -6.812 315 HG1 THR 38 HG1 THR 38 7.067 -9.302 -7.683 316 HG21 THR 38 HG21 THR 38 8.336 -6.546 -6.042 317 HG22 THR 38 HG22 THR 38 6.829 -6.043 -5.249 318 HG23 THR 38 HG23 THR 38 7.039 -5.783 -6.980 319 H LYS 39 H LYS 39 3.985 -8.329 -5.061 320 HA LYS 39 HA LYS 39 3.163 -10.990 -5.965 321 HB2 LYS 39 HB2 LYS 39 3.187 -10.175 -3.156 322 HB3 LYS 39 HB3 LYS 39 1.516 -10.296 -3.680 323 HG2 LYS 39 HG2 LYS 39 1.781 -12.378 -2.942 324 HG3 LYS 39 HG3 LYS 39 2.359 -12.656 -4.592 325 HD2 LYS 39 HD2 LYS 39 4.631 -11.728 -3.106 326 HD3 LYS 39 HD3 LYS 39 3.789 -12.804 -2.007 327 HE2 LYS 39 HE2 LYS 39 4.538 -13.465 -4.878 328 HE3 LYS 39 HE3 LYS 39 5.510 -13.912 -3.453 329 HZ1 LYS 39 HZ1 LYS 39 4.231 -15.771 -3.915 330 HZ2 LYS 39 HZ2 LYS 39 2.844 -14.951 -4.179 331 HZ3 LYS 39 HZ3 LYS 39 3.412 -15.087 -2.660 332 H VAL 40 H VAL 40 0.901 -10.965 -6.694 333 HA VAL 40 HA VAL 40 -0.393 -8.268 -6.749 334 HB VAL 40 HB VAL 40 -0.083 -10.430 -8.858 335 HG11 VAL 40 HG11 VAL 40 -1.660 -9.044 -10.257 336 HG12 VAL 40 HG12 VAL 40 -2.446 -9.929 -8.950 337 HG13 VAL 40 HG13 VAL 40 -2.143 -8.195 -8.783 338 HG21 VAL 40 HG21 VAL 40 1.663 -8.684 -8.758 339 HG22 VAL 40 HG22 VAL 40 0.657 -8.444 -10.190 340 HG23 VAL 40 HG23 VAL 40 0.422 -7.413 -8.770 341 H ILE 41 H ILE 41 -2.135 -8.320 -5.439 342 HA ILE 41 HA ILE 41 -3.771 -10.816 -5.130 343 HB ILE 41 HB ILE 41 -3.420 -8.374 -3.336 344 HG12 ILE 41 HG12 ILE 41 -2.761 -11.296 -2.790 345 HG13 ILE 41 HG13 ILE 41 -1.602 -9.994 -3.073 346 HG21 ILE 41 HG21 ILE 41 -5.793 -9.080 -3.400 347 HG22 ILE 41 HG22 ILE 41 -5.312 -10.713 -2.906 348 HG23 ILE 41 HG23 ILE 41 -5.088 -9.312 -1.827 349 HD11 ILE 41 HD11 ILE 41 -2.656 -8.799 -1.057 350 HD12 ILE 41 HD12 ILE 41 -3.435 -10.346 -0.682 351 HD13 ILE 41 HD13 ILE 41 -1.676 -10.256 -0.714 352 H PHE 42 H PHE 42 -5.477 -10.615 -6.612 353 HA PHE 42 HA PHE 42 -6.160 -8.098 -7.885 354 HB2 PHE 42 HB2 PHE 42 -7.683 -10.729 -7.659 355 HB3 PHE 42 HB3 PHE 42 -8.112 -9.376 -8.693 356 HD1 PHE 42 HD1 PHE 42 -6.075 -8.484 -10.261 357 HD2 PHE 42 HD2 PHE 42 -6.566 -12.505 -8.748 358 HE1 PHE 42 HE1 PHE 42 -4.731 -9.352 -12.136 359 HE2 PHE 42 HE2 PHE 42 -5.229 -13.367 -10.650 360 HZ PHE 42 HZ PHE 42 -4.329 -11.793 -12.357 361 H ASN 43 H ASN 43 -8.225 -6.980 -7.593 362 HA ASN 43 HA ASN 43 -8.891 -6.854 -4.695 363 HB2 ASN 43 HB2 ASN 43 -7.910 -4.866 -5.650 364 HB3 ASN 43 HB3 ASN 43 -9.189 -4.803 -6.893 365 HD21 ASN 43 HD21 ASN 43 -10.397 -2.974 -6.322 366 HD22 ASN 43 HD22 ASN 43 -11.212 -2.849 -4.768 367 H ASP 44 H ASP 44 -10.308 -8.924 -5.250 368 HA ASP 44 HA ASP 44 -13.082 -7.875 -5.564 369 HB2 ASP 44 HB2 ASP 44 -11.870 -10.248 -6.987 370 HB3 ASP 44 HB3 ASP 44 -13.602 -10.120 -6.649 371 H GLU 45 H GLU 45 -12.924 -7.840 -3.326 372 HA GLU 45 HA GLU 45 -13.495 -8.518 -1.300 373 HB2 GLU 45 HB2 GLU 45 -15.056 -9.946 -3.225 374 HB3 GLU 45 HB3 GLU 45 -14.726 -11.108 -1.959 375 HG2 GLU 45 HG2 GLU 45 -16.868 -9.727 -1.861 376 HG3 GLU 45 HG3 GLU 45 -15.955 -9.941 -0.373 377 H SER 46 H SER 46 -12.585 -11.678 -2.634 378 HA SER 46 HA SER 46 -11.457 -12.755 -0.224 379 HB2 SER 46 HB2 SER 46 -12.338 -13.888 -2.374 380 HB3 SER 46 HB3 SER 46 -10.794 -13.470 -3.115 381 HG SER 46 HG SER 46 -10.832 -15.555 -2.304 382 H GLY 47 H GLY 47 -10.188 -10.665 -2.786 383 HA2 GLY 47 HA2 GLY 47 -7.451 -10.761 -2.296 384 HA3 GLY 47 HA3 GLY 47 -8.347 -9.352 -2.871 385 H LYS 48 H LYS 48 -9.807 -8.388 -0.970 386 HA LYS 48 HA LYS 48 -7.994 -7.019 0.767 387 HB2 LYS 48 HB2 LYS 48 -11.027 -7.355 0.791 388 HB3 LYS 48 HB3 LYS 48 -10.151 -6.298 1.896 389 HG2 LYS 48 HG2 LYS 48 -9.534 -4.770 0.274 390 HG3 LYS 48 HG3 LYS 48 -9.728 -5.923 -1.068 391 HD2 LYS 48 HD2 LYS 48 -12.124 -5.904 -0.880 392 HD3 LYS 48 HD3 LYS 48 -12.078 -4.918 0.594 393 HE2 LYS 48 HE2 LYS 48 -11.468 -2.973 -0.545 394 HE3 LYS 48 HE3 LYS 48 -10.793 -3.849 -1.923 395 HZ1 LYS 48 HZ1 LYS 48 -12.911 -2.756 -2.367 396 HZ2 LYS 48 HZ2 LYS 48 -13.680 -3.769 -1.305 397 HZ3 LYS 48 HZ3 LYS 48 -12.963 -4.343 -2.689 398 H LYS 49 H LYS 49 -10.053 -9.901 1.302 399 HA LYS 49 HA LYS 49 -9.710 -10.155 4.097 400 HB2 LYS 49 HB2 LYS 49 -10.134 -12.081 1.816 401 HB3 LYS 49 HB3 LYS 49 -9.595 -12.730 3.355 402 HG2 LYS 49 HG2 LYS 49 -11.560 -11.695 4.477 403 HG3 LYS 49 HG3 LYS 49 -12.171 -11.203 2.875 404 HD2 LYS 49 HD2 LYS 49 -12.178 -13.540 2.135 405 HD3 LYS 49 HD3 LYS 49 -11.403 -14.070 3.646 406 HE2 LYS 49 HE2 LYS 49 -13.395 -13.226 4.909 407 HE3 LYS 49 HE3 LYS 49 -14.169 -12.854 3.362 408 HZ1 LYS 49 HZ1 LYS 49 -14.851 -14.991 4.223 409 HZ2 LYS 49 HZ2 LYS 49 -13.321 -15.558 4.246 410 HZ3 LYS 49 HZ3 LYS 49 -14.051 -15.232 2.818 411 H SER 50 H SER 50 -7.495 -11.227 1.432 412 HA SER 50 HA SER 50 -5.707 -12.558 3.189 413 HB2 SER 50 HB2 SER 50 -5.173 -11.339 0.445 414 HB3 SER 50 HB3 SER 50 -4.170 -12.553 1.286 415 HG SER 50 HG SER 50 -5.505 -13.734 0.032 416 H ILE 51 H ILE 51 -5.828 -9.144 2.104 417 HA ILE 51 HA ILE 51 -3.318 -8.258 2.968 418 HB ILE 51 HB ILE 51 -5.999 -6.810 3.079 419 HG12 ILE 51 HG12 ILE 51 -3.896 -7.029 0.870 420 HG13 ILE 51 HG13 ILE 51 -5.532 -7.689 0.837 421 HG21 ILE 51 HG21 ILE 51 -4.141 -5.628 4.358 422 HG22 ILE 51 HG22 ILE 51 -3.316 -5.463 2.787 423 HG23 ILE 51 HG23 ILE 51 -4.911 -4.734 3.057 424 HD11 ILE 51 HD11 ILE 51 -6.413 -5.313 1.034 425 HD12 ILE 51 HD12 ILE 51 -4.737 -4.773 0.714 426 HD13 ILE 51 HD13 ILE 51 -5.591 -5.775 -0.463 427 H VAL 52 H VAL 52 -6.272 -8.894 4.881 428 HA VAL 52 HA VAL 52 -5.399 -7.712 7.298 429 HB VAL 52 HB VAL 52 -7.245 -10.114 6.962 430 HG11 VAL 52 HG11 VAL 52 -8.331 -9.227 8.944 431 HG12 VAL 52 HG12 VAL 52 -6.626 -9.583 9.300 432 HG13 VAL 52 HG13 VAL 52 -7.158 -7.903 9.022 433 HG21 VAL 52 HG21 VAL 52 -8.093 -8.376 5.458 434 HG22 VAL 52 HG22 VAL 52 -9.095 -8.406 6.901 435 HG23 VAL 52 HG23 VAL 52 -7.871 -7.135 6.713 436 H LYS 53 H LYS 53 -5.011 -11.025 6.015 437 HA LYS 53 HA LYS 53 -3.556 -11.938 8.398 438 HB2 LYS 53 HB2 LYS 53 -4.554 -13.241 5.842 439 HB3 LYS 53 HB3 LYS 53 -3.341 -14.025 6.845 440 HG2 LYS 53 HG2 LYS 53 -5.387 -14.925 7.490 441 HG3 LYS 53 HG3 LYS 53 -4.817 -13.920 8.813 442 HD2 LYS 53 HD2 LYS 53 -6.442 -12.152 8.121 443 HD3 LYS 53 HD3 LYS 53 -7.031 -13.203 6.820 444 HE2 LYS 53 HE2 LYS 53 -7.032 -13.879 9.806 445 HE3 LYS 53 HE3 LYS 53 -8.411 -13.197 8.948 446 HZ1 LYS 53 HZ1 LYS 53 -8.492 -15.593 9.253 447 HZ2 LYS 53 HZ2 LYS 53 -7.208 -15.818 8.263 448 HZ3 LYS 53 HZ3 LYS 53 -8.607 -15.187 7.658 449 H GLU 54 H GLU 54 -2.666 -10.466 5.338 450 HA GLU 54 HA GLU 54 -0.063 -11.541 5.075 451 HB2 GLU 54 HB2 GLU 54 -1.366 -8.910 4.309 452 HB3 GLU 54 HB3 GLU 54 0.339 -9.163 4.016 453 HG2 GLU 54 HG2 GLU 54 -1.787 -11.059 2.943 454 HG3 GLU 54 HG3 GLU 54 -1.212 -9.643 2.068 455 H ASN 55 H ASN 55 -1.339 -9.285 7.421 456 HA ASN 55 HA ASN 55 -0.424 -7.984 9.062 457 HB2 ASN 55 HB2 ASN 55 1.988 -9.837 8.927 458 HB3 ASN 55 HB3 ASN 55 1.696 -8.613 10.141 459 HD21 ASN 55 HD21 ASN 55 0.644 -11.792 8.974 460 HD22 ASN 55 HD22 ASN 55 -0.111 -12.246 10.479 461 H VAL 56 H VAL 56 -0.497 -6.766 6.775 462 HA VAL 56 HA VAL 56 1.936 -5.794 5.636 463 HB VAL 56 HB VAL 56 -0.605 -4.165 5.820 464 HG11 VAL 56 HG11 VAL 56 1.401 -4.504 3.592 465 HG12 VAL 56 HG12 VAL 56 -0.054 -3.481 3.555 466 HG13 VAL 56 HG13 VAL 56 1.244 -3.132 4.686 467 HG21 VAL 56 HG21 VAL 56 -1.455 -6.361 5.158 468 HG22 VAL 56 HG22 VAL 56 -1.343 -5.370 3.701 469 HG23 VAL 56 HG23 VAL 56 -0.107 -6.592 4.024 470 H ASN 57 H ASN 57 3.063 -3.940 5.985 471 HA ASN 57 HA ASN 57 3.217 -2.813 8.684 472 HB2 ASN 57 HB2 ASN 57 5.261 -3.343 7.256 473 HB3 ASN 57 HB3 ASN 57 4.705 -2.182 6.070 474 HD21 ASN 57 HD21 ASN 57 5.739 -2.442 9.461 475 HD22 ASN 57 HD22 ASN 57 6.287 -0.742 9.518 476 H ALA 58 H ALA 58 2.380 -1.803 5.345 477 HA ALA 58 HA ALA 58 0.842 0.464 6.376 478 HB1 ALA 58 HB1 ALA 58 2.153 2.110 5.015 479 HB2 ALA 58 HB2 ALA 58 3.099 1.403 6.348 480 HB3 ALA 58 HB3 ALA 58 3.334 0.842 4.684 481 H ILE 59 H ILE 59 -0.403 1.612 4.642 482 HA ILE 59 HA ILE 59 -0.610 0.063 2.095 483 HB ILE 59 HB ILE 59 -2.762 1.738 3.463 484 HG12 ILE 59 HG12 ILE 59 -2.521 -1.314 3.278 485 HG13 ILE 59 HG13 ILE 59 -2.319 -0.344 4.733 486 HG21 ILE 59 HG21 ILE 59 -4.278 0.896 1.772 487 HG22 ILE 59 HG22 ILE 59 -2.896 1.542 0.926 488 HG23 ILE 59 HG23 ILE 59 -3.050 -0.223 1.147 489 HD11 ILE 59 HD11 ILE 59 -4.672 0.403 4.606 490 HD12 ILE 59 HD12 ILE 59 -4.920 -0.717 3.245 491 HD13 ILE 59 HD13 ILE 59 -4.457 -1.342 4.837 492 H ILE 60 H ILE 60 -0.528 1.409 0.207 493 HA ILE 60 HA ILE 60 -0.204 4.322 0.624 494 HB ILE 60 HB ILE 60 1.190 2.713 -1.557 495 HG12 ILE 60 HG12 ILE 60 2.381 3.898 0.992 496 HG13 ILE 60 HG13 ILE 60 2.208 2.192 0.644 497 HG21 ILE 60 HG21 ILE 60 1.457 5.644 -0.694 498 HG22 ILE 60 HG22 ILE 60 2.340 4.869 -2.021 499 HG23 ILE 60 HG23 ILE 60 0.603 5.068 -2.142 500 HD11 ILE 60 HD11 ILE 60 3.725 2.441 -1.340 501 HD12 ILE 60 HD12 ILE 60 4.070 4.097 -0.796 502 HD13 ILE 60 HD13 ILE 60 4.474 2.725 0.242 503 H CYS 61 H CYS 61 -1.672 5.487 -0.595 504 HA CYS 61 HA CYS 61 -2.801 4.414 -3.032 505 HB2 CYS 61 HB2 CYS 61 -5.139 4.603 -2.335 506 HB3 CYS 61 HB3 CYS 61 -4.321 3.418 -1.333 507 HG CYS 61 HG CYS 61 -4.310 6.582 -0.374 508 H LYS 62 H LYS 62 -4.052 6.116 -4.171 509 HA LYS 62 HA LYS 62 -3.248 8.895 -3.502 510 HB2 LYS 62 HB2 LYS 62 -4.900 7.589 -5.684 511 HB3 LYS 62 HB3 LYS 62 -5.027 9.325 -5.372 512 HG2 LYS 62 HG2 LYS 62 -2.521 9.482 -5.617 513 HG3 LYS 62 HG3 LYS 62 -2.515 7.784 -6.103 514 HD2 LYS 62 HD2 LYS 62 -3.973 8.358 -8.065 515 HD3 LYS 62 HD3 LYS 62 -4.029 10.039 -7.497 516 HE2 LYS 62 HE2 LYS 62 -1.397 9.885 -7.517 517 HE3 LYS 62 HE3 LYS 62 -1.633 8.501 -8.581 518 HZ1 LYS 62 HZ1 LYS 62 -1.341 10.499 -9.850 519 HZ2 LYS 62 HZ2 LYS 62 -2.596 11.263 -9.053 520 HZ3 LYS 62 HZ3 LYS 62 -2.886 10.013 -10.060 521 H ASN 63 H ASN 63 -6.167 6.825 -2.970 522 HA ASN 63 HA ASN 63 -7.138 8.827 -1.071 523 HB2 ASN 63 HB2 ASN 63 -8.338 8.463 -3.771 524 HB3 ASN 63 HB3 ASN 63 -9.492 8.216 -2.482 525 HD21 ASN 63 HD21 ASN 63 -6.798 10.587 -3.085 526 HD22 ASN 63 HD22 ASN 63 -7.811 11.975 -2.866 527 H ILE 64 H ILE 64 -9.081 7.960 -0.005 528 HA ILE 64 HA ILE 64 -9.566 5.053 -0.153 529 HB ILE 64 HB ILE 64 -7.701 5.643 1.554 530 HG12 ILE 64 HG12 ILE 64 -10.054 4.128 2.720 531 HG13 ILE 64 HG13 ILE 64 -9.059 3.498 1.406 532 HG21 ILE 64 HG21 ILE 64 -8.443 6.465 3.725 533 HG22 ILE 64 HG22 ILE 64 -8.856 7.651 2.497 534 HG23 ILE 64 HG23 ILE 64 -10.105 6.598 3.186 535 HD11 ILE 64 HD11 ILE 64 -7.987 4.244 4.138 536 HD12 ILE 64 HD12 ILE 64 -8.292 2.611 3.533 537 HD13 ILE 64 HD13 ILE 64 -7.040 3.624 2.773 538 H SER 65 H SER 65 -11.667 4.534 0.664 539 HA SER 65 HA SER 65 -13.522 6.749 0.999 540 HB2 SER 65 HB2 SER 65 -15.210 4.965 1.295 541 HB3 SER 65 HB3 SER 65 -14.232 4.798 -0.195 542 HG SER 65 HG SER 65 -14.692 2.857 1.122 543 H GLU 66 H GLU 66 -14.664 7.150 2.921 544 HA GLU 66 HA GLU 66 -13.076 7.340 5.204 545 HB2 GLU 66 HB2 GLU 66 -15.263 8.607 4.452 546 HB3 GLU 66 HB3 GLU 66 -16.113 7.323 5.293 547 HG2 GLU 66 HG2 GLU 66 -15.925 9.077 6.859 548 HG3 GLU 66 HG3 GLU 66 -14.726 7.894 7.368 549 H GLU 67 H GLU 67 -15.691 4.978 4.489 550 HA GLU 67 HA GLU 67 -15.671 3.720 6.985 551 HB2 GLU 67 HB2 GLU 67 -17.265 3.473 4.824 552 HB3 GLU 67 HB3 GLU 67 -16.266 2.046 4.542 553 HG2 GLU 67 HG2 GLU 67 -16.689 1.502 7.055 554 HG3 GLU 67 HG3 GLU 67 -17.944 2.724 7.008 555 H ASN 68 H ASN 68 -13.909 2.798 4.022 556 HA ASN 68 HA ASN 68 -12.676 0.441 5.158 557 HB2 ASN 68 HB2 ASN 68 -11.932 2.162 2.792 558 HB3 ASN 68 HB3 ASN 68 -11.080 0.666 3.216 559 HD21 ASN 68 HD21 ASN 68 -12.117 0.815 0.696 560 HD22 ASN 68 HD22 ASN 68 -13.464 -0.267 0.539 561 H TYR 69 H TYR 69 -11.664 3.879 5.003 562 HA TYR 69 HA TYR 69 -9.044 3.539 6.048 563 HB2 TYR 69 HB2 TYR 69 -9.979 5.678 5.210 564 HB3 TYR 69 HB3 TYR 69 -11.039 5.775 6.590 565 HD1 TYR 69 HD2 TYR 69 -10.155 6.160 8.891 566 HD2 TYR 69 HD1 TYR 69 -7.531 6.059 5.459 567 HE1 TYR 69 HE2 TYR 69 -8.356 7.104 10.232 568 HE2 TYR 69 HE1 TYR 69 -5.842 7.228 6.643 569 HH TYR 69 HH TYR 69 -5.190 8.081 8.720 570 H LYS 70 H LYS 70 -12.126 4.107 7.773 571 HA LYS 70 HA LYS 70 -11.084 3.934 10.382 572 HB2 LYS 70 HB2 LYS 70 -13.851 3.280 9.265 573 HB3 LYS 70 HB3 LYS 70 -13.515 3.346 10.992 574 HG2 LYS 70 HG2 LYS 70 -13.137 5.638 11.007 575 HG3 LYS 70 HG3 LYS 70 -12.810 5.743 9.279 576 HD2 LYS 70 HD2 LYS 70 -15.040 5.671 8.648 577 HD3 LYS 70 HD3 LYS 70 -15.561 4.826 10.089 578 HE2 LYS 70 HE2 LYS 70 -14.712 7.758 9.979 579 HE3 LYS 70 HE3 LYS 70 -16.375 7.146 10.013 580 HZ1 LYS 70 HZ1 LYS 70 -14.389 7.099 12.162 581 HZ2 LYS 70 HZ2 LYS 70 -15.607 5.988 12.148 582 HZ3 LYS 70 HZ3 LYS 70 -15.970 7.575 12.221 583 H LYS 71 H LYS 71 -11.836 1.311 8.120 584 HA LYS 71 HA LYS 71 -11.699 -0.783 10.131 585 HB2 LYS 71 HB2 LYS 71 -12.799 -0.910 7.801 586 HB3 LYS 71 HB3 LYS 71 -11.199 -1.162 7.148 587 HG2 LYS 71 HG2 LYS 71 -10.915 -3.233 8.214 588 HG3 LYS 71 HG3 LYS 71 -12.078 -2.838 9.497 589 HD2 LYS 71 HD2 LYS 71 -13.877 -2.856 7.619 590 HD3 LYS 71 HD3 LYS 71 -12.665 -3.749 6.672 591 HE2 LYS 71 HE2 LYS 71 -12.540 -5.483 8.374 592 HE3 LYS 71 HE3 LYS 71 -13.564 -4.531 9.462 593 HZ1 LYS 71 HZ1 LYS 71 -14.444 -5.743 6.919 594 HZ2 LYS 71 HZ2 LYS 71 -15.381 -4.764 7.877 595 HZ3 LYS 71 HZ3 LYS 71 -14.869 -6.188 8.451 596 H PHE 72 H PHE 72 -9.450 0.315 7.535 597 HA PHE 72 HA PHE 72 -7.493 -1.588 8.488 598 HB2 PHE 72 HB2 PHE 72 -7.544 0.427 6.240 599 HB3 PHE 72 HB3 PHE 72 -6.073 -0.438 6.654 600 HD1 PHE 72 HD2 PHE 72 -5.866 -2.859 6.371 601 HD2 PHE 72 HD1 PHE 72 -9.474 -0.840 5.191 602 HE1 PHE 72 HE2 PHE 72 -6.540 -4.837 5.042 603 HE2 PHE 72 HE1 PHE 72 -10.119 -2.780 3.837 604 HZ PHE 72 HZ PHE 72 -8.665 -4.789 3.719 605 H SER 73 H SER 73 -7.920 1.866 9.099 606 HA SER 73 HA SER 73 -5.256 2.412 9.973 607 HB2 SER 73 HB2 SER 73 -7.168 3.974 9.090 608 HB3 SER 73 HB3 SER 73 -7.687 4.021 10.781 609 HG SER 73 HG SER 73 -6.186 5.690 10.146 610 H LYS 74 H LYS 74 -6.341 0.070 11.258 611 HA LYS 74 HA LYS 74 -6.375 0.858 14.123 612 HB2 LYS 74 HB2 LYS 74 -8.406 -0.341 12.692 613 HB3 LYS 74 HB3 LYS 74 -7.580 -1.741 13.348 614 HG2 LYS 74 HG2 LYS 74 -8.462 0.659 15.030 615 HG3 LYS 74 HG3 LYS 74 -9.569 -0.631 14.625 616 HD2 LYS 74 HD2 LYS 74 -6.999 -1.021 16.205 617 HD3 LYS 74 HD3 LYS 74 -8.597 -0.859 16.916 618 HE2 LYS 74 HE2 LYS 74 -7.780 -3.027 14.951 619 HE3 LYS 74 HE3 LYS 74 -7.765 -3.228 16.708 620 HZ1 LYS 74 HZ1 LYS 74 -10.239 -2.456 15.280 621 HZ2 LYS 74 HZ2 LYS 74 -10.100 -3.082 16.767 622 HZ3 LYS 74 HZ3 LYS 74 -9.797 -4.035 15.493 623 H LYS 75 H LYS 75 -4.156 0.035 12.184 624 HA LYS 75 HA LYS 75 -2.440 -0.755 13.886 625 HB2 LYS 75 HB2 LYS 75 -3.773 -3.260 13.193 626 HB3 LYS 75 HB3 LYS 75 -2.078 -3.337 12.763 627 HG2 LYS 75 HG2 LYS 75 -1.360 -2.660 14.959 628 HG3 LYS 75 HG3 LYS 75 -3.002 -2.275 15.461 629 HD2 LYS 75 HD2 LYS 75 -3.593 -4.702 15.220 630 HD3 LYS 75 HD3 LYS 75 -1.863 -5.046 14.971 631 HE2 LYS 75 HE2 LYS 75 -1.307 -4.069 17.151 632 HE3 LYS 75 HE3 LYS 75 -2.947 -3.443 17.327 633 HZ1 LYS 75 HZ1 LYS 75 -3.688 -5.804 17.353 634 HZ2 LYS 75 HZ2 LYS 75 -2.814 -5.288 18.644 635 HZ3 LYS 75 HZ3 LYS 75 -2.092 -6.251 17.521 636 H ILE 76 H ILE 76 -3.255 -0.195 10.657 637 HA ILE 76 HA ILE 76 -0.522 -0.788 9.634 638 HB ILE 76 HB ILE 76 -3.163 -0.917 8.103 639 HG12 ILE 76 HG12 ILE 76 -1.374 -3.308 8.657 640 HG13 ILE 76 HG13 ILE 76 -2.728 -2.926 9.722 641 HG21 ILE 76 HG21 ILE 76 -0.305 -1.607 7.319 642 HG22 ILE 76 HG22 ILE 76 -1.705 -1.828 6.268 643 HG23 ILE 76 HG23 ILE 76 -1.234 -0.199 6.755 644 HD11 ILE 76 HD11 ILE 76 -3.010 -3.491 6.737 645 HD12 ILE 76 HD12 ILE 76 -3.373 -4.600 8.058 646 HD13 ILE 76 HD13 ILE 76 -4.312 -3.108 7.887 647 H GLU 77 H GLU 77 0.469 0.968 8.900 648 HA GLU 77 HA GLU 77 -0.735 3.550 9.335 649 HB2 GLU 77 HB2 GLU 77 1.959 2.541 8.337 650 HB3 GLU 77 HB3 GLU 77 1.604 4.252 8.661 651 HG2 GLU 77 HG2 GLU 77 1.692 3.986 10.916 652 HG3 GLU 77 HG3 GLU 77 0.814 2.501 10.921 653 H ILE 78 H ILE 78 -1.882 4.677 7.787 654 HA ILE 78 HA ILE 78 -1.740 3.703 4.985 655 HB ILE 78 HB ILE 78 -3.777 5.356 6.529 656 HG12 ILE 78 HG12 ILE 78 -4.383 2.683 5.235 657 HG13 ILE 78 HG13 ILE 78 -3.431 2.643 6.697 658 HG21 ILE 78 HG21 ILE 78 -4.075 4.293 3.702 659 HG22 ILE 78 HG22 ILE 78 -5.272 5.229 4.574 660 HG23 ILE 78 HG23 ILE 78 -3.764 6.007 4.080 661 HD11 ILE 78 HD11 ILE 78 -5.795 2.404 7.191 662 HD12 ILE 78 HD12 ILE 78 -5.108 3.870 7.925 663 HD13 ILE 78 HD13 ILE 78 -6.133 3.999 6.477 664 H TYR 79 H TYR 79 -0.743 4.835 3.493 665 HA TYR 79 HA TYR 79 0.191 7.599 4.097 666 HB2 TYR 79 HB2 TYR 79 1.417 5.267 2.603 667 HB3 TYR 79 HB3 TYR 79 1.982 6.906 2.394 668 HD1 TYR 79 HD1 TYR 79 1.526 4.247 5.009 669 HD2 TYR 79 HD2 TYR 79 3.415 7.960 3.929 670 HE1 TYR 79 HE1 TYR 79 3.251 3.897 6.784 671 HE2 TYR 79 HE2 TYR 79 5.167 7.601 5.639 672 HH TYR 79 HH TYR 79 5.323 4.604 7.602 673 H HIS 80 H HIS 80 0.431 9.013 2.393 674 HA HIS 80 HA HIS 80 -1.549 8.743 0.227 675 HB2 HIS 80 HB2 HIS 80 -1.091 10.841 1.770 676 HB3 HIS 80 HB3 HIS 80 0.301 11.101 0.735 677 HD1 HIS 80 HD1 HIS 80 -0.670 13.326 -0.415 678 HD2 HIS 80 HD2 HIS 80 -3.199 9.936 -0.625 679 HE1 HIS 80 HE1 HIS 80 -2.694 13.946 -1.867 680 H ALA 81 H ALA 81 -1.008 8.402 -1.825 681 HA ALA 81 HA ALA 81 1.742 7.935 -2.666 682 HB1 ALA 81 HB1 ALA 81 -0.113 6.805 -3.834 683 HB2 ALA 81 HB2 ALA 81 -0.854 8.383 -4.215 684 HB3 ALA 81 HB3 ALA 81 0.698 7.926 -4.946 685 H GLU 82 H GLU 82 2.925 9.363 -3.961 686 HA GLU 82 HA GLU 82 2.208 12.268 -4.001 687 HB2 GLU 82 HB2 GLU 82 4.694 10.704 -3.201 688 HB3 GLU 82 HB3 GLU 82 4.856 12.325 -3.850 689 HG2 GLU 82 HG2 GLU 82 3.019 11.810 -1.505 690 HG3 GLU 82 HG3 GLU 82 4.751 12.073 -1.335 691 H GLY 83 H GLY 83 1.809 10.013 -6.066 692 HA2 GLY 83 HA2 GLY 83 2.674 11.359 -8.382 693 HA3 GLY 83 HA3 GLY 83 3.872 10.132 -7.965 694 H ASP 84 H ASP 84 3.093 9.546 -10.123 695 HA ASP 84 HA ASP 84 0.969 7.441 -10.026 696 HB2 ASP 84 HB2 ASP 84 2.103 8.935 -12.428 697 HB3 ASP 84 HB3 ASP 84 0.996 7.567 -12.496 698 H ASP 85 H ASP 85 4.386 8.266 -10.336 699 HA ASP 85 HA ASP 85 5.205 5.803 -11.623 700 HB2 ASP 85 HB2 ASP 85 6.367 8.354 -11.041 701 HB3 ASP 85 HB3 ASP 85 7.274 7.206 -10.145 702 H VAL 86 H VAL 86 4.687 4.045 -10.430 703 HA VAL 86 HA VAL 86 4.432 3.847 -7.650 704 HB VAL 86 HB VAL 86 5.181 1.830 -9.803 705 HG11 VAL 86 HG11 VAL 86 6.131 0.887 -7.803 706 HG12 VAL 86 HG12 VAL 86 4.712 1.284 -6.822 707 HG13 VAL 86 HG13 VAL 86 4.611 0.046 -8.106 708 HG21 VAL 86 HG21 VAL 86 2.887 2.769 -9.832 709 HG22 VAL 86 HG22 VAL 86 2.881 1.053 -9.416 710 HG23 VAL 86 HG23 VAL 86 2.690 2.284 -8.135 711 H ASP 87 H ASP 87 7.410 3.692 -9.665 712 HA ASP 87 HA ASP 87 8.966 2.548 -7.515 713 HB2 ASP 87 HB2 ASP 87 9.622 3.652 -10.239 714 HB3 ASP 87 HB3 ASP 87 10.910 3.312 -9.074 715 H LYS 88 H LYS 88 8.435 5.904 -8.637 716 HA LYS 88 HA LYS 88 10.229 7.159 -6.771 717 HB2 LYS 88 HB2 LYS 88 9.212 8.309 -8.702 718 HB3 LYS 88 HB3 LYS 88 7.616 8.111 -8.017 719 HG2 LYS 88 HG2 LYS 88 8.544 10.398 -7.806 720 HG3 LYS 88 HG3 LYS 88 8.040 9.700 -6.266 721 HD2 LYS 88 HD2 LYS 88 10.239 9.465 -5.497 722 HD3 LYS 88 HD3 LYS 88 10.918 9.426 -7.126 723 HE2 LYS 88 HE2 LYS 88 11.594 11.488 -6.148 724 HE3 LYS 88 HE3 LYS 88 10.421 11.838 -7.426 725 HZ1 LYS 88 HZ1 LYS 88 8.741 12.155 -5.684 726 HZ2 LYS 88 HZ2 LYS 88 10.000 13.146 -5.448 727 HZ3 LYS 88 HZ3 LYS 88 9.874 11.820 -4.519 728 H ASN 89 H ASN 89 6.897 5.891 -6.479 729 HA ASN 89 HA ASN 89 6.476 7.138 -3.876 730 HB2 ASN 89 HB2 ASN 89 4.965 5.134 -5.588 731 HB3 ASN 89 HB3 ASN 89 4.486 5.499 -3.926 732 HD21 ASN 89 HD21 ASN 89 5.282 7.285 -7.006 733 HD22 ASN 89 HD22 ASN 89 4.356 8.704 -6.526 734 H ILE 90 H ILE 90 7.841 4.114 -5.043 735 HA ILE 90 HA ILE 90 7.671 2.747 -2.503 736 HB ILE 90 HB ILE 90 9.220 2.260 -5.055 737 HG12 ILE 90 HG12 ILE 90 6.999 0.621 -3.726 738 HG13 ILE 90 HG13 ILE 90 6.708 1.807 -4.955 739 HG21 ILE 90 HG21 ILE 90 9.214 0.498 -2.540 740 HG22 ILE 90 HG22 ILE 90 9.993 0.094 -4.092 741 HG23 ILE 90 HG23 ILE 90 10.602 1.423 -3.157 742 HD11 ILE 90 HD11 ILE 90 6.758 -0.399 -5.947 743 HD12 ILE 90 HD12 ILE 90 8.157 0.526 -6.541 744 HD13 ILE 90 HD13 ILE 90 8.358 -0.707 -5.274 745 H SER 91 H SER 91 10.314 4.484 -4.258 746 HA SER 91 HA SER 91 12.219 4.323 -2.211 747 HB2 SER 91 HB2 SER 91 13.071 6.514 -3.400 748 HB3 SER 91 HB3 SER 91 13.144 4.930 -4.189 749 HG SER 91 HG SER 91 11.429 5.426 -5.455 750 H LEU 92 H LEU 92 9.779 6.905 -2.773 751 HA LEU 92 HA LEU 92 10.547 8.525 -0.574 752 HB2 LEU 92 HB2 LEU 92 7.832 8.028 -1.853 753 HB3 LEU 92 HB3 LEU 92 8.099 9.249 -0.625 754 HG LEU 92 HG LEU 92 9.672 9.278 -3.212 755 HD11 LEU 92 HD11 LEU 92 7.048 10.698 -2.535 756 HD12 LEU 92 HD12 LEU 92 7.229 9.356 -3.692 757 HD13 LEU 92 HD13 LEU 92 7.991 10.899 -4.012 758 HD21 LEU 92 HD21 LEU 92 9.979 11.639 -2.661 759 HD22 LEU 92 HD22 LEU 92 10.583 10.645 -1.355 760 HD23 LEU 92 HD23 LEU 92 9.011 11.472 -1.191 761 H PHE 93 H PHE 93 8.456 5.632 -0.681 762 HA PHE 93 HA PHE 93 7.496 5.929 2.031 763 HB2 PHE 93 HB2 PHE 93 6.209 4.640 0.445 764 HB3 PHE 93 HB3 PHE 93 7.574 3.605 0.072 765 HD1 PHE 93 HD2 PHE 93 5.173 4.529 2.809 766 HD2 PHE 93 HD1 PHE 93 8.157 1.715 1.417 767 HE1 PHE 93 HE2 PHE 93 4.590 2.967 4.642 768 HE2 PHE 93 HE1 PHE 93 7.492 0.153 3.194 769 HZ PHE 93 HZ PHE 93 5.723 0.736 4.796 770 H ILE 94 H ILE 94 10.213 4.180 0.517 771 HA ILE 94 HA ILE 94 11.070 2.630 2.735 772 HB ILE 94 HB ILE 94 12.464 3.792 0.297 773 HG12 ILE 94 HG12 ILE 94 12.035 0.910 1.113 774 HG13 ILE 94 HG13 ILE 94 10.753 1.802 0.297 775 HG21 ILE 94 HG21 ILE 94 14.236 3.678 1.985 776 HG22 ILE 94 HG22 ILE 94 13.713 2.035 2.435 777 HG23 ILE 94 HG23 ILE 94 14.438 2.363 0.843 778 HD11 ILE 94 HD11 ILE 94 12.005 0.461 -1.304 779 HD12 ILE 94 HD12 ILE 94 12.218 2.190 -1.645 780 HD13 ILE 94 HD13 ILE 94 13.513 1.273 -0.870 781 H GLU 95 H GLU 95 11.946 6.014 1.802 782 HA GLU 95 HA GLU 95 13.415 6.378 4.270 783 HB2 GLU 95 HB2 GLU 95 12.633 7.975 1.834 784 HB3 GLU 95 HB3 GLU 95 13.305 8.824 3.211 785 HG2 GLU 95 HG2 GLU 95 14.605 6.357 1.900 786 HG3 GLU 95 HG3 GLU 95 15.002 8.011 1.479 787 H GLY 96 H GLY 96 10.035 6.663 3.538 788 HA2 GLY 96 HA2 GLY 96 8.345 7.186 5.064 789 HA3 GLY 96 HA3 GLY 96 9.545 7.767 6.215 790 H GLU 97 H GLU 97 9.728 8.967 2.946 791 HA GLU 97 HA GLU 97 9.262 11.729 3.771 792 HB2 GLU 97 HB2 GLU 97 10.226 10.201 1.385 793 HB3 GLU 97 HB3 GLU 97 9.434 11.727 1.023 794 HG2 GLU 97 HG2 GLU 97 11.458 11.783 3.220 795 HG3 GLU 97 HG3 GLU 97 12.087 11.367 1.644 796 H LEU 98 H LEU 98 7.276 9.158 2.493 797 HA LEU 98 HA LEU 98 5.188 10.843 1.319 798 HB2 LEU 98 HB2 LEU 98 5.047 8.030 2.442 799 HB3 LEU 98 HB3 LEU 98 3.742 8.839 1.590 800 HG LEU 98 HG LEU 98 6.384 7.928 0.414 801 HD11 LEU 98 HD11 LEU 98 4.627 6.196 0.882 802 HD12 LEU 98 HD12 LEU 98 4.982 6.386 -0.848 803 HD13 LEU 98 HD13 LEU 98 3.510 7.090 -0.165 804 HD21 LEU 98 HD21 LEU 98 4.087 9.432 -0.920 805 HD22 LEU 98 HD22 LEU 98 5.423 8.645 -1.783 806 HD23 LEU 98 HD23 LEU 98 5.751 10.010 -0.708 807 H SER 99 H SER 99 3.603 11.845 2.235 808 HA SER 99 HA SER 99 3.250 12.161 5.039 809 HB2 SER 99 HB2 SER 99 1.632 12.818 2.569 810 HB3 SER 99 HB3 SER 99 1.102 13.294 4.201 811 HG SER 99 HG SER 99 2.309 14.969 3.374 812 H LYS 100 H LYS 100 2.236 11.013 6.496 813 HA LYS 100 HA LYS 100 0.665 8.630 5.873 814 HB2 LYS 100 HB2 LYS 100 1.389 10.095 8.439 815 HB3 LYS 100 HB3 LYS 100 0.360 8.650 8.403 816 HG2 LYS 100 HG2 LYS 100 2.100 7.311 7.426 817 HG3 LYS 100 HG3 LYS 100 3.120 8.708 7.111 818 HD2 LYS 100 HD2 LYS 100 3.961 7.436 9.009 819 HD3 LYS 100 HD3 LYS 100 3.557 9.104 9.418 820 HE2 LYS 100 HE2 LYS 100 1.391 8.325 10.381 821 HE3 LYS 100 HE3 LYS 100 1.870 6.641 10.055 822 HZ1 LYS 100 HZ1 LYS 100 3.404 8.522 11.746 823 HZ2 LYS 100 HZ2 LYS 100 3.725 6.934 11.535 824 HZ3 LYS 100 HZ3 LYS 100 2.367 7.415 12.357 825 H ILE 101 H ILE 101 -1.510 8.676 5.412 826 HA ILE 101 HA ILE 101 -2.893 11.222 5.535 827 HB ILE 101 HB ILE 101 -4.085 8.525 4.840 828 HG12 ILE 101 HG12 ILE 101 -3.199 10.720 2.920 829 HG13 ILE 101 HG13 ILE 101 -2.185 9.333 3.327 830 HG21 ILE 101 HG21 ILE 101 -5.037 11.440 4.621 831 HG22 ILE 101 HG22 ILE 101 -5.815 10.144 3.733 832 HG23 ILE 101 HG23 ILE 101 -5.818 10.092 5.492 833 HD11 ILE 101 HD11 ILE 101 -3.916 7.785 2.471 834 HD12 ILE 101 HD12 ILE 101 -4.886 9.195 1.953 835 HD13 ILE 101 HD13 ILE 101 -3.321 8.890 1.243 836 H SER 102 H SER 102 -3.454 11.970 7.492 837 HA SER 102 HA SER 102 -4.986 10.162 9.300 838 HB2 SER 102 HB2 SER 102 -3.493 12.643 10.129 839 HB3 SER 102 HB3 SER 102 -4.159 11.360 11.137 840 HG SER 102 HG SER 102 -1.869 11.333 9.501 841 H ASN 103 H ASN 103 -5.393 12.484 6.991 842 HA ASN 103 HA ASN 103 -7.973 13.394 8.085 843 HB2 ASN 103 HB2 ASN 103 -7.566 15.550 6.846 844 HB3 ASN 103 HB3 ASN 103 -6.773 15.335 8.395 845 HD21 ASN 103 HD21 ASN 103 -5.036 16.721 8.199 846 HD22 ASN 103 HD22 ASN 103 -3.820 16.587 6.968 847 HA PRO 104 HA PRO 104 -8.505 11.526 3.878 848 HB2 PRO 104 HB2 PRO 104 -10.331 9.621 4.537 849 HB3 PRO 104 HB3 PRO 104 -8.572 9.321 4.687 850 HG2 PRO 104 HG2 PRO 104 -10.524 10.138 6.857 851 HG3 PRO 104 HG3 PRO 104 -9.281 8.858 6.918 852 HD2 PRO 104 HD2 PRO 104 -8.871 11.416 7.922 853 HD3 PRO 104 HD3 PRO 104 -7.558 10.400 7.250 Start of MODEL 2 1 H1 GLY -2 H GLY -2 18.825 1.491 11.479 2 HA2 GLY -2 HA2 GLY -2 17.728 2.918 9.778 3 HA3 GLY -2 HA3 GLY -2 19.326 2.997 8.977 4 H HIS -1 H HIS -1 18.394 2.023 7.100 5 HA HIS -1 HA HIS -1 17.751 0.529 5.699 6 HB2 HIS -1 HB2 HIS -1 18.771 -1.612 7.588 7 HB3 HIS -1 HB3 HIS -1 18.426 -1.796 5.870 8 HD1 HIS -1 HD1 HIS -1 21.354 -1.284 7.963 9 HD2 HIS -1 HD2 HIS -1 19.834 0.330 4.353 10 HE1 HIS -1 HE1 HIS -1 23.335 -0.399 6.661 11 H MET 1 H MET 1 16.409 -1.676 5.524 12 HA MET 1 HA MET 1 14.330 -1.724 7.539 13 HB2 MET 1 HB2 MET 1 13.523 -0.059 5.816 14 HB3 MET 1 HB3 MET 1 13.623 -1.362 4.605 15 HG2 MET 1 HG2 MET 1 11.345 -1.198 5.504 16 HG3 MET 1 HG3 MET 1 12.068 -2.723 5.966 17 HE1 MET 1 HE1 MET 1 9.593 -2.273 7.915 18 HE2 MET 1 HE2 MET 1 10.872 -3.508 7.799 19 HE3 MET 1 HE3 MET 1 10.541 -2.715 9.352 20 H ILE 2 H ILE 2 13.693 -3.835 7.839 21 HA ILE 2 HA ILE 2 14.263 -5.866 5.744 22 HB ILE 2 HB ILE 2 14.776 -6.068 8.749 23 HG12 ILE 2 HG12 ILE 2 16.879 -6.054 6.546 24 HG13 ILE 2 HG13 ILE 2 16.526 -4.684 7.594 25 HG21 ILE 2 HG21 ILE 2 15.248 -8.100 6.541 26 HG22 ILE 2 HG22 ILE 2 15.662 -8.315 8.255 27 HG23 ILE 2 HG23 ILE 2 13.982 -8.150 7.782 28 HD11 ILE 2 HD11 ILE 2 17.064 -6.082 9.595 29 HD12 ILE 2 HD12 ILE 2 17.672 -7.339 8.489 30 HD13 ILE 2 HD13 ILE 2 18.421 -5.736 8.517 31 H ASN 3 H ASN 3 12.510 -7.417 5.675 32 HA ASN 3 HA ASN 3 10.619 -8.478 6.148 33 HB2 ASN 3 HB2 ASN 3 11.442 -7.745 8.875 34 HB3 ASN 3 HB3 ASN 3 9.740 -8.091 8.681 35 HD21 ASN 3 HD21 ASN 3 12.940 -9.510 8.678 36 HD22 ASN 3 HD22 ASN 3 12.449 -11.120 8.167 37 H MET 4 H MET 4 10.562 -5.472 5.300 38 HA MET 4 HA MET 4 7.944 -4.593 6.292 39 HB2 MET 4 HB2 MET 4 9.819 -3.028 5.694 40 HB3 MET 4 HB3 MET 4 9.617 -3.486 4.026 41 HG2 MET 4 HG2 MET 4 8.159 -1.832 3.776 42 HG3 MET 4 HG3 MET 4 7.049 -2.677 4.841 43 HE1 MET 4 HE1 MET 4 10.139 0.462 5.971 44 HE2 MET 4 HE2 MET 4 9.743 -0.098 4.318 45 HE3 MET 4 HE3 MET 4 8.869 1.244 5.064 46 H LYS 5 H LYS 5 6.021 -4.614 5.179 47 HA LYS 5 HA LYS 5 5.990 -5.438 2.334 48 HB2 LYS 5 HB2 LYS 5 4.409 -6.683 4.558 49 HB3 LYS 5 HB3 LYS 5 3.535 -6.334 3.058 50 HG2 LYS 5 HG2 LYS 5 4.946 -7.855 1.877 51 HG3 LYS 5 HG3 LYS 5 6.072 -7.927 3.236 52 HD2 LYS 5 HD2 LYS 5 4.157 -8.873 4.687 53 HD3 LYS 5 HD3 LYS 5 3.193 -8.942 3.190 54 HE2 LYS 5 HE2 LYS 5 4.166 -11.050 3.088 55 HE3 LYS 5 HE3 LYS 5 5.363 -10.004 2.265 56 HZ1 LYS 5 HZ1 LYS 5 6.461 -11.441 3.822 57 HZ2 LYS 5 HZ2 LYS 5 5.534 -10.950 5.061 58 HZ3 LYS 5 HZ3 LYS 5 6.612 -9.908 4.360 59 H VAL 6 H VAL 6 4.567 -4.176 1.136 60 HA VAL 6 HA VAL 6 2.733 -2.371 2.549 61 HB VAL 6 HB VAL 6 4.913 -1.553 0.605 62 HG11 VAL 6 HG11 VAL 6 2.403 0.045 1.259 63 HG12 VAL 6 HG12 VAL 6 3.852 0.657 0.433 64 HG13 VAL 6 HG13 VAL 6 2.872 -0.571 -0.350 65 HG21 VAL 6 HG21 VAL 6 5.048 0.307 2.319 66 HG22 VAL 6 HG22 VAL 6 3.952 -0.617 3.335 67 HG23 VAL 6 HG23 VAL 6 5.542 -1.300 2.900 68 H ALA 7 H ALA 7 0.874 -2.002 1.391 69 HA ALA 7 HA ALA 7 0.502 -3.550 -1.144 70 HB1 ALA 7 HB1 ALA 7 -1.929 -3.240 -0.675 71 HB2 ALA 7 HB2 ALA 7 -1.101 -4.136 0.619 72 HB3 ALA 7 HB3 ALA 7 -1.518 -2.428 0.840 73 H ILE 8 H ILE 8 0.584 -2.326 -2.996 74 HA ILE 8 HA ILE 8 -0.099 0.585 -2.857 75 HB ILE 8 HB ILE 8 1.545 -0.940 -4.926 76 HG12 ILE 8 HG12 ILE 8 2.393 0.973 -2.718 77 HG13 ILE 8 HG13 ILE 8 2.753 -0.744 -2.793 78 HG21 ILE 8 HG21 ILE 8 1.992 1.347 -5.837 79 HG22 ILE 8 HG22 ILE 8 0.294 0.939 -5.911 80 HG23 ILE 8 HG23 ILE 8 0.857 2.015 -4.618 81 HD11 ILE 8 HD11 ILE 8 3.864 1.369 -4.673 82 HD12 ILE 8 HD12 ILE 8 4.714 0.519 -3.397 83 HD13 ILE 8 HD13 ILE 8 4.135 -0.383 -4.818 84 H SER 9 H SER 9 -2.100 1.158 -3.788 85 HA SER 9 HA SER 9 -3.587 -0.960 -5.058 86 HB2 SER 9 HB2 SER 9 -5.409 0.675 -4.988 87 HB3 SER 9 HB3 SER 9 -4.688 0.313 -3.434 88 HG SER 9 HG SER 9 -5.191 2.576 -4.379 89 H MET 10 H MET 10 -3.009 -1.498 -7.042 90 HA MET 10 HA MET 10 -2.160 0.560 -8.999 91 HB2 MET 10 HB2 MET 10 -1.912 -2.466 -9.034 92 HB3 MET 10 HB3 MET 10 -1.281 -1.360 -10.258 93 HG2 MET 10 HG2 MET 10 -0.069 -0.269 -8.125 94 HG3 MET 10 HG3 MET 10 -0.341 -1.875 -7.461 95 HE1 MET 10 HE1 MET 10 0.642 -1.397 -11.399 96 HE2 MET 10 HE2 MET 10 1.231 0.048 -10.537 97 HE3 MET 10 HE3 MET 10 2.381 -1.152 -11.168 98 H ASP 11 H ASP 11 -2.797 0.244 -11.192 99 HA ASP 11 HA ASP 11 -5.652 -0.614 -11.561 100 HB2 ASP 11 HB2 ASP 11 -4.574 1.833 -11.980 101 HB3 ASP 11 HB3 ASP 11 -4.198 1.143 -13.540 102 H VAL 12 H VAL 12 -2.564 -0.364 -13.393 103 HA VAL 12 HA VAL 12 -2.867 -3.095 -14.399 104 HB VAL 12 HB VAL 12 -2.542 -0.720 -16.286 105 HG11 VAL 12 HG11 VAL 12 -2.814 -3.714 -16.808 106 HG12 VAL 12 HG12 VAL 12 -2.716 -2.452 -18.054 107 HG13 VAL 12 HG13 VAL 12 -1.341 -2.748 -16.985 108 HG21 VAL 12 HG21 VAL 12 -4.965 -2.508 -15.841 109 HG22 VAL 12 HG22 VAL 12 -4.882 -0.746 -15.646 110 HG23 VAL 12 HG23 VAL 12 -4.753 -1.460 -17.250 111 H ASP 13 H ASP 13 -0.906 -0.148 -15.115 112 HA ASP 13 HA ASP 13 1.492 -1.615 -14.163 113 HB2 ASP 13 HB2 ASP 13 0.782 -1.248 -16.708 114 HB3 ASP 13 HB3 ASP 13 1.484 0.338 -16.462 115 H LYS 14 H LYS 14 -0.269 0.712 -13.064 116 HA LYS 14 HA LYS 14 1.776 2.326 -11.864 117 HB2 LYS 14 HB2 LYS 14 0.674 4.508 -12.606 118 HB3 LYS 14 HB3 LYS 14 1.674 3.716 -13.800 119 HG2 LYS 14 HG2 LYS 14 -0.387 2.743 -14.881 120 HG3 LYS 14 HG3 LYS 14 -1.370 3.611 -13.706 121 HD2 LYS 14 HD2 LYS 14 0.488 4.887 -15.681 122 HD3 LYS 14 HD3 LYS 14 -1.253 4.717 -15.877 123 HE2 LYS 14 HE2 LYS 14 -1.208 5.889 -13.428 124 HE3 LYS 14 HE3 LYS 14 0.306 6.532 -14.071 125 HZ1 LYS 14 HZ1 LYS 14 -1.461 7.983 -14.483 126 HZ2 LYS 14 HZ2 LYS 14 -2.379 6.839 -15.239 127 HZ3 LYS 14 HZ3 LYS 14 -0.986 7.416 -15.949 128 H ILE 15 H ILE 15 0.516 4.040 -10.414 129 HA ILE 15 HA ILE 15 -1.306 2.608 -8.737 130 HB ILE 15 HB ILE 15 -0.546 5.544 -8.935 131 HG12 ILE 15 HG12 ILE 15 0.477 3.396 -7.018 132 HG13 ILE 15 HG13 ILE 15 1.325 3.898 -8.475 133 HG21 ILE 15 HG21 ILE 15 -1.953 4.109 -6.643 134 HG22 ILE 15 HG22 ILE 15 -1.339 5.778 -6.599 135 HG23 ILE 15 HG23 ILE 15 -2.651 5.371 -7.691 136 HD11 ILE 15 HD11 ILE 15 1.438 6.226 -7.596 137 HD12 ILE 15 HD12 ILE 15 0.858 5.593 -6.034 138 HD13 ILE 15 HD13 ILE 15 2.386 5.030 -6.731 139 H SER 16 H SER 16 -3.539 2.901 -8.477 140 HA SER 16 HA SER 16 -5.004 3.561 -10.925 141 HB2 SER 16 HB2 SER 16 -5.452 1.524 -9.576 142 HB3 SER 16 HB3 SER 16 -5.988 2.536 -8.240 143 HG SER 16 HG SER 16 -7.116 2.415 -10.874 144 H ASN 17 H ASN 17 -6.078 4.407 -7.674 145 HA ASN 17 HA ASN 17 -6.071 7.258 -7.954 146 HB2 ASN 17 HB2 ASN 17 -7.747 6.933 -9.692 147 HB3 ASN 17 HB3 ASN 17 -8.646 5.794 -8.677 148 HD21 ASN 17 HD21 ASN 17 -10.624 7.002 -8.619 149 HD22 ASN 17 HD22 ASN 17 -10.695 8.538 -7.786 150 H SER 18 H SER 18 -7.679 4.284 -6.653 151 HA SER 18 HA SER 18 -7.459 5.510 -3.969 152 HB2 SER 18 HB2 SER 18 -9.764 5.403 -3.464 153 HB3 SER 18 HB3 SER 18 -9.722 6.082 -5.106 154 HG SER 18 HG SER 18 -11.161 4.417 -5.236 155 H PHE 19 H PHE 19 -8.685 3.778 -2.434 156 HA PHE 19 HA PHE 19 -7.427 1.135 -2.861 157 HB2 PHE 19 HB2 PHE 19 -7.121 2.475 -0.720 158 HB3 PHE 19 HB3 PHE 19 -8.825 2.326 -0.443 159 HD1 PHE 19 HD2 PHE 19 -9.838 0.203 0.235 160 HD2 PHE 19 HD1 PHE 19 -5.576 0.492 -0.334 161 HE1 PHE 19 HE2 PHE 19 -9.544 -1.936 1.390 162 HE2 PHE 19 HE1 PHE 19 -5.289 -1.683 0.764 163 HZ PHE 19 HZ PHE 19 -7.248 -2.899 1.675 164 H GLU 20 H GLU 20 -10.409 2.704 -3.462 165 HA GLU 20 HA GLU 20 -12.043 0.238 -3.212 166 HB2 GLU 20 HB2 GLU 20 -12.327 2.939 -2.167 167 HB3 GLU 20 HB3 GLU 20 -13.623 2.654 -3.298 168 HG2 GLU 20 HG2 GLU 20 -13.052 0.492 -1.288 169 HG3 GLU 20 HG3 GLU 20 -13.753 1.988 -0.711 170 H ASP 21 H ASP 21 -10.465 1.975 -5.522 171 HA ASP 21 HA ASP 21 -12.449 1.273 -7.636 172 HB2 ASP 21 HB2 ASP 21 -10.624 3.720 -7.510 173 HB3 ASP 21 HB3 ASP 21 -11.688 3.287 -8.818 174 H CYS 22 H CYS 22 -9.605 0.355 -6.333 175 HA CYS 22 HA CYS 22 -7.842 0.463 -8.670 176 HB2 CYS 22 HB2 CYS 22 -6.333 -0.892 -7.097 177 HB3 CYS 22 HB3 CYS 22 -6.725 0.767 -6.606 178 HG CYS 22 HG CYS 22 -6.888 -1.762 -4.915 179 H LYS 23 H LYS 23 -6.742 -1.602 -9.277 180 HA LYS 23 HA LYS 23 -8.865 -3.642 -9.857 181 HB2 LYS 23 HB2 LYS 23 -6.287 -2.779 -11.193 182 HB3 LYS 23 HB3 LYS 23 -7.087 -4.276 -11.615 183 HG2 LYS 23 HG2 LYS 23 -7.611 -2.416 -13.181 184 HG3 LYS 23 HG3 LYS 23 -8.991 -3.229 -12.466 185 HD2 LYS 23 HD2 LYS 23 -9.444 -1.335 -10.997 186 HD3 LYS 23 HD3 LYS 23 -7.975 -0.520 -11.546 187 HE2 LYS 23 HE2 LYS 23 -9.927 0.430 -12.625 188 HE3 LYS 23 HE3 LYS 23 -8.909 -0.378 -13.828 189 HZ1 LYS 23 HZ1 LYS 23 -11.345 -0.867 -14.011 190 HZ2 LYS 23 HZ2 LYS 23 -11.298 -1.648 -12.591 191 HZ3 LYS 23 HZ3 LYS 23 -10.410 -2.208 -13.858 192 H TYR 24 H TYR 24 -5.541 -3.169 -8.533 193 HA TYR 24 HA TYR 24 -5.931 -5.533 -6.948 194 HB2 TYR 24 HB2 TYR 24 -3.977 -6.757 -7.662 195 HB3 TYR 24 HB3 TYR 24 -5.045 -6.551 -9.030 196 HD1 TYR 24 HD2 TYR 24 -4.442 -5.203 -10.916 197 HD2 TYR 24 HD1 TYR 24 -1.744 -5.693 -7.597 198 HE1 TYR 24 HE2 TYR 24 -2.557 -4.335 -12.314 199 HE2 TYR 24 HE1 TYR 24 0.093 -4.819 -8.928 200 HH TYR 24 HH TYR 24 -0.260 -3.764 -12.350 201 H PHE 25 H PHE 25 -3.980 -5.884 -5.581 202 HA PHE 25 HA PHE 25 -2.748 -3.357 -4.674 203 HB2 PHE 25 HB2 PHE 25 -3.439 -5.875 -3.118 204 HB3 PHE 25 HB3 PHE 25 -2.753 -4.398 -2.467 205 HD1 PHE 25 HD1 PHE 25 -4.096 -2.217 -2.932 206 HD2 PHE 25 HD2 PHE 25 -5.779 -6.174 -3.095 207 HE1 PHE 25 HE1 PHE 25 -6.399 -1.269 -2.511 208 HE2 PHE 25 HE2 PHE 25 -8.062 -5.227 -2.715 209 HZ PHE 25 HZ PHE 25 -8.359 -2.775 -2.417 210 H LEU 26 H LEU 26 -0.655 -3.337 -5.249 211 HA LEU 26 HA LEU 26 0.795 -5.856 -5.768 212 HB2 LEU 26 HB2 LEU 26 1.053 -3.739 -7.137 213 HB3 LEU 26 HB3 LEU 26 1.920 -3.032 -5.787 214 HG LEU 26 HG LEU 26 3.423 -3.800 -7.456 215 HD11 LEU 26 HD11 LEU 26 4.012 -4.223 -5.035 216 HD12 LEU 26 HD12 LEU 26 4.905 -5.092 -6.284 217 HD13 LEU 26 HD13 LEU 26 3.654 -5.955 -5.354 218 HD21 LEU 26 HD21 LEU 26 2.153 -5.451 -8.682 219 HD22 LEU 26 HD22 LEU 26 2.164 -6.587 -7.331 220 HD23 LEU 26 HD23 LEU 26 3.665 -6.180 -8.164 221 H ILE 27 H ILE 27 1.416 -6.938 -3.956 222 HA ILE 27 HA ILE 27 2.048 -5.515 -1.470 223 HB ILE 27 HB ILE 27 2.356 -8.492 -1.902 224 HG12 ILE 27 HG12 ILE 27 0.020 -7.968 -2.290 225 HG13 ILE 27 HG13 ILE 27 0.252 -8.801 -0.759 226 HG21 ILE 27 HG21 ILE 27 3.648 -7.386 -0.041 227 HG22 ILE 27 HG22 ILE 27 2.133 -6.826 0.644 228 HG23 ILE 27 HG23 ILE 27 2.455 -8.565 0.504 229 HD11 ILE 27 HD11 ILE 27 -0.195 -5.798 -1.044 230 HD12 ILE 27 HD12 ILE 27 -1.431 -6.981 -0.623 231 HD13 ILE 27 HD13 ILE 27 -0.073 -6.710 0.481 232 H VAL 28 H VAL 28 3.824 -4.329 -1.852 233 HA VAL 28 HA VAL 28 6.284 -5.197 -3.132 234 HB VAL 28 HB VAL 28 5.756 -3.035 -1.043 235 HG11 VAL 28 HG11 VAL 28 7.806 -1.968 -1.971 236 HG12 VAL 28 HG12 VAL 28 8.149 -3.527 -1.242 237 HG13 VAL 28 HG13 VAL 28 8.067 -3.377 -3.014 238 HG21 VAL 28 HG21 VAL 28 5.772 -2.776 -4.080 239 HG22 VAL 28 HG22 VAL 28 4.360 -2.574 -3.006 240 HG23 VAL 28 HG23 VAL 28 5.708 -1.441 -2.905 241 H ARG 29 H ARG 29 8.108 -6.142 -2.038 242 HA ARG 29 HA ARG 29 7.841 -6.504 0.881 243 HB2 ARG 29 HB2 ARG 29 7.227 -8.649 -0.450 244 HB3 ARG 29 HB3 ARG 29 8.931 -8.656 -0.927 245 HG2 ARG 29 HG2 ARG 29 9.267 -8.318 1.711 246 HG3 ARG 29 HG3 ARG 29 7.675 -9.077 1.789 247 HD2 ARG 29 HD2 ARG 29 10.087 -10.206 0.343 248 HD3 ARG 29 HD3 ARG 29 9.692 -10.607 2.007 249 HE ARG 29 HE ARG 29 7.376 -11.181 0.559 250 HH11 ARG 29 HH11 ARG 29 10.745 -12.342 0.495 251 HH12 ARG 29 HH12 ARG 29 10.311 -14.004 0.341 252 HH21 ARG 29 HH21 ARG 29 6.797 -13.232 0.286 253 HH22 ARG 29 HH22 ARG 29 7.929 -14.557 0.453 254 H ILE 30 H ILE 30 9.594 -5.728 1.845 255 HA ILE 30 HA ILE 30 12.042 -5.203 0.250 256 HB ILE 30 HB ILE 30 10.494 -3.483 2.176 257 HG12 ILE 30 HG12 ILE 30 11.802 -2.483 -0.337 258 HG13 ILE 30 HG13 ILE 30 10.334 -3.445 -0.471 259 HG21 ILE 30 HG21 ILE 30 12.405 -1.858 2.219 260 HG22 ILE 30 HG22 ILE 30 12.745 -3.361 3.085 261 HG23 ILE 30 HG23 ILE 30 13.413 -3.103 1.458 262 HD11 ILE 30 HD11 ILE 30 9.107 -1.901 0.991 263 HD12 ILE 30 HD12 ILE 30 10.566 -0.910 1.209 264 HD13 ILE 30 HD13 ILE 30 9.805 -1.035 -0.388 265 H ASP 31 H ASP 31 13.774 -6.128 1.074 266 HA ASP 31 HA ASP 31 13.591 -7.372 3.790 267 HB2 ASP 31 HB2 ASP 31 14.666 -8.489 1.207 268 HB3 ASP 31 HB3 ASP 31 14.884 -9.269 2.765 269 H ASP 32 H ASP 32 15.481 -5.492 1.762 270 HA ASP 32 HA ASP 32 17.028 -4.768 4.020 271 HB2 ASP 32 HB2 ASP 32 18.498 -6.657 3.294 272 HB3 ASP 32 HB3 ASP 32 18.751 -5.856 1.748 273 H ASN 33 H ASN 33 15.621 -3.172 3.359 274 HA ASN 33 HA ASN 33 15.055 -1.116 2.607 275 HB2 ASN 33 HB2 ASN 33 17.595 -0.987 3.511 276 HB3 ASN 33 HB3 ASN 33 17.872 -0.459 1.859 277 HD21 ASN 33 HD21 ASN 33 15.268 0.207 4.431 278 HD22 ASN 33 HD22 ASN 33 15.544 1.931 4.309 279 H GLU 34 H GLU 34 15.617 -3.333 0.438 280 HA GLU 34 HA GLU 34 15.097 -1.654 -1.950 281 HB2 GLU 34 HB2 GLU 34 17.013 -3.972 -1.447 282 HB3 GLU 34 HB3 GLU 34 16.396 -3.684 -3.064 283 HG2 GLU 34 HG2 GLU 34 17.809 -1.549 -1.444 284 HG3 GLU 34 HG3 GLU 34 18.601 -2.676 -2.558 285 H VAL 35 H VAL 35 14.115 -2.876 -3.642 286 HA VAL 35 HA VAL 35 11.939 -4.581 -2.775 287 HB VAL 35 HB VAL 35 11.811 -2.972 -4.689 288 HG11 VAL 35 HG11 VAL 35 12.559 -3.432 -6.885 289 HG12 VAL 35 HG12 VAL 35 13.965 -3.418 -5.817 290 HG13 VAL 35 HG13 VAL 35 13.319 -4.957 -6.399 291 HG21 VAL 35 HG21 VAL 35 10.401 -4.425 -6.084 292 HG22 VAL 35 HG22 VAL 35 11.061 -5.857 -5.235 293 HG23 VAL 35 HG23 VAL 35 10.122 -4.643 -4.352 294 H LYS 36 H LYS 36 12.253 -6.699 -2.189 295 HA LYS 36 HA LYS 36 14.189 -8.281 -3.880 296 HB2 LYS 36 HB2 LYS 36 13.469 -8.940 -1.040 297 HB3 LYS 36 HB3 LYS 36 14.595 -9.791 -2.079 298 HG2 LYS 36 HG2 LYS 36 14.903 -7.148 -0.654 299 HG3 LYS 36 HG3 LYS 36 15.820 -8.657 -0.509 300 HD2 LYS 36 HD2 LYS 36 16.624 -8.189 -2.928 301 HD3 LYS 36 HD3 LYS 36 15.987 -6.552 -2.600 302 HE2 LYS 36 HE2 LYS 36 18.307 -6.523 -2.040 303 HE3 LYS 36 HE3 LYS 36 17.349 -6.435 -0.546 304 HZ1 LYS 36 HZ1 LYS 36 17.861 -8.698 -0.075 305 HZ2 LYS 36 HZ2 LYS 36 19.273 -7.998 -0.537 306 HZ3 LYS 36 HZ3 LYS 36 18.465 -8.972 -1.577 307 H SER 37 H SER 37 10.836 -7.997 -2.869 308 HA SER 37 HA SER 37 10.233 -10.150 -4.721 309 HB2 SER 37 HB2 SER 37 9.763 -10.380 -1.758 310 HB3 SER 37 HB3 SER 37 8.473 -10.914 -2.836 311 HG SER 37 HG SER 37 9.514 -12.560 -3.297 312 H THR 38 H THR 38 7.887 -10.091 -5.263 313 HA THR 38 HA THR 38 6.315 -7.885 -4.217 314 HB THR 38 HB THR 38 5.658 -7.428 -6.723 315 HG1 THR 38 HG1 THR 38 8.401 -8.107 -7.019 316 HG21 THR 38 HG21 THR 38 8.300 -6.276 -5.730 317 HG22 THR 38 HG22 THR 38 6.697 -5.755 -5.172 318 HG23 THR 38 HG23 THR 38 7.132 -5.554 -6.864 319 H LYS 39 H LYS 39 4.007 -8.205 -4.808 320 HA LYS 39 HA LYS 39 3.182 -10.827 -5.836 321 HB2 LYS 39 HB2 LYS 39 3.215 -10.042 -3.003 322 HB3 LYS 39 HB3 LYS 39 1.563 -10.057 -3.532 323 HG2 LYS 39 HG2 LYS 39 1.580 -12.121 -2.846 324 HG3 LYS 39 HG3 LYS 39 2.233 -12.505 -4.439 325 HD2 LYS 39 HD2 LYS 39 4.305 -11.741 -2.446 326 HD3 LYS 39 HD3 LYS 39 3.326 -13.079 -1.882 327 HE2 LYS 39 HE2 LYS 39 4.811 -12.995 -4.543 328 HE3 LYS 39 HE3 LYS 39 5.398 -13.772 -3.059 329 HZ1 LYS 39 HZ1 LYS 39 3.271 -15.115 -3.168 330 HZ2 LYS 39 HZ2 LYS 39 4.423 -15.457 -4.307 331 HZ3 LYS 39 HZ3 LYS 39 3.101 -14.591 -4.709 332 H VAL 40 H VAL 40 0.930 -10.739 -6.500 333 HA VAL 40 HA VAL 40 -0.338 -8.032 -6.497 334 HB VAL 40 HB VAL 40 -0.376 -10.369 -8.446 335 HG11 VAL 40 HG11 VAL 40 -2.709 -9.723 -8.263 336 HG12 VAL 40 HG12 VAL 40 -2.271 -8.012 -8.454 337 HG13 VAL 40 HG13 VAL 40 -2.041 -9.152 -9.792 338 HG21 VAL 40 HG21 VAL 40 0.293 -7.397 -8.700 339 HG22 VAL 40 HG22 VAL 40 1.453 -8.734 -8.741 340 HG23 VAL 40 HG23 VAL 40 0.269 -8.549 -10.038 341 H ILE 41 H ILE 41 -2.373 -7.959 -5.606 342 HA ILE 41 HA ILE 41 -3.822 -10.468 -5.012 343 HB ILE 41 HB ILE 41 -3.530 -8.061 -3.169 344 HG12 ILE 41 HG12 ILE 41 -2.553 -10.926 -2.931 345 HG13 ILE 41 HG13 ILE 41 -1.580 -9.459 -2.975 346 HG21 ILE 41 HG21 ILE 41 -5.844 -9.033 -3.249 347 HG22 ILE 41 HG22 ILE 41 -5.162 -10.615 -2.809 348 HG23 ILE 41 HG23 ILE 41 -5.097 -9.235 -1.682 349 HD11 ILE 41 HD11 ILE 41 -2.803 -8.733 -0.846 350 HD12 ILE 41 HD12 ILE 41 -3.383 -10.409 -0.735 351 HD13 ILE 41 HD13 ILE 41 -1.642 -10.082 -0.693 352 H PHE 42 H PHE 42 -5.462 -10.255 -6.561 353 HA PHE 42 HA PHE 42 -6.277 -7.822 -7.732 354 HB2 PHE 42 HB2 PHE 42 -7.964 -10.306 -7.220 355 HB3 PHE 42 HB3 PHE 42 -8.338 -9.020 -8.360 356 HD1 PHE 42 HD1 PHE 42 -6.133 -8.426 -9.944 357 HD2 PHE 42 HD2 PHE 42 -7.221 -12.254 -8.293 358 HE1 PHE 42 HE1 PHE 42 -4.846 -9.544 -11.724 359 HE2 PHE 42 HE2 PHE 42 -5.987 -13.393 -10.127 360 HZ PHE 42 HZ PHE 42 -4.804 -12.043 -11.857 361 H ASN 43 H ASN 43 -8.002 -6.456 -7.389 362 HA ASN 43 HA ASN 43 -9.053 -6.206 -4.638 363 HB2 ASN 43 HB2 ASN 43 -8.481 -4.120 -5.759 364 HB3 ASN 43 HB3 ASN 43 -9.513 -4.551 -7.136 365 HD21 ASN 43 HD21 ASN 43 -10.783 -2.665 -6.832 366 HD22 ASN 43 HD22 ASN 43 -12.016 -2.567 -5.612 367 H ASP 44 H ASP 44 -9.915 -8.256 -4.626 368 HA ASP 44 HA ASP 44 -12.677 -8.498 -5.616 369 HB2 ASP 44 HB2 ASP 44 -10.442 -10.581 -5.610 370 HB3 ASP 44 HB3 ASP 44 -12.118 -11.023 -5.409 371 H GLU 45 H GLU 45 -13.701 -10.144 -3.950 372 HA GLU 45 HA GLU 45 -13.248 -9.048 -1.428 373 HB2 GLU 45 HB2 GLU 45 -14.931 -10.396 -0.623 374 HB3 GLU 45 HB3 GLU 45 -15.338 -10.038 -2.296 375 HG2 GLU 45 HG2 GLU 45 -14.635 -12.311 -2.977 376 HG3 GLU 45 HG3 GLU 45 -14.207 -12.680 -1.288 377 H SER 46 H SER 46 -11.977 -12.128 -2.729 378 HA SER 46 HA SER 46 -11.014 -12.990 -0.124 379 HB2 SER 46 HB2 SER 46 -11.479 -14.527 -2.063 380 HB3 SER 46 HB3 SER 46 -10.024 -13.905 -2.855 381 HG SER 46 HG SER 46 -8.781 -14.915 -1.470 382 H GLY 47 H GLY 47 -9.966 -10.674 -2.476 383 HA2 GLY 47 HA2 GLY 47 -7.200 -10.594 -1.937 384 HA3 GLY 47 HA3 GLY 47 -8.192 -9.259 -2.568 385 H LYS 48 H LYS 48 -9.787 -8.350 -0.723 386 HA LYS 48 HA LYS 48 -7.999 -7.183 1.197 387 HB2 LYS 48 HB2 LYS 48 -11.027 -7.313 1.108 388 HB3 LYS 48 HB3 LYS 48 -10.157 -6.377 2.322 389 HG2 LYS 48 HG2 LYS 48 -9.340 -4.822 0.668 390 HG3 LYS 48 HG3 LYS 48 -9.917 -5.845 -0.657 391 HD2 LYS 48 HD2 LYS 48 -11.555 -4.136 -0.418 392 HD3 LYS 48 HD3 LYS 48 -12.251 -5.606 0.228 393 HE2 LYS 48 HE2 LYS 48 -11.328 -4.602 2.554 394 HE3 LYS 48 HE3 LYS 48 -11.454 -3.081 1.636 395 HZ1 LYS 48 HZ1 LYS 48 -13.502 -3.443 2.741 396 HZ2 LYS 48 HZ2 LYS 48 -13.615 -4.995 2.271 397 HZ3 LYS 48 HZ3 LYS 48 -13.799 -3.795 1.155 398 H LYS 49 H LYS 49 -10.102 -10.137 1.430 399 HA LYS 49 HA LYS 49 -9.936 -10.322 4.267 400 HB2 LYS 49 HB2 LYS 49 -10.214 -12.437 2.079 401 HB3 LYS 49 HB3 LYS 49 -10.145 -12.788 3.793 402 HG2 LYS 49 HG2 LYS 49 -12.149 -11.059 3.981 403 HG3 LYS 49 HG3 LYS 49 -12.330 -11.402 2.256 404 HD2 LYS 49 HD2 LYS 49 -12.092 -13.952 3.261 405 HD3 LYS 49 HD3 LYS 49 -12.827 -13.129 4.644 406 HE2 LYS 49 HE2 LYS 49 -14.625 -12.300 3.006 407 HE3 LYS 49 HE3 LYS 49 -13.869 -13.335 1.785 408 HZ1 LYS 49 HZ1 LYS 49 -15.547 -14.607 2.671 409 HZ2 LYS 49 HZ2 LYS 49 -15.247 -14.165 4.246 410 HZ3 LYS 49 HZ3 LYS 49 -14.226 -15.186 3.456 411 H SER 50 H SER 50 -7.896 -11.716 1.636 412 HA SER 50 HA SER 50 -5.935 -12.859 3.271 413 HB2 SER 50 HB2 SER 50 -5.545 -11.597 0.521 414 HB3 SER 50 HB3 SER 50 -4.521 -12.820 1.284 415 HG SER 50 HG SER 50 -7.180 -13.067 0.333 416 H ILE 51 H ILE 51 -6.187 -9.474 2.057 417 HA ILE 51 HA ILE 51 -3.659 -8.618 2.888 418 HB ILE 51 HB ILE 51 -6.288 -7.081 2.641 419 HG12 ILE 51 HG12 ILE 51 -3.802 -7.322 0.909 420 HG13 ILE 51 HG13 ILE 51 -5.342 -8.027 0.553 421 HG21 ILE 51 HG21 ILE 51 -3.530 -5.845 2.996 422 HG22 ILE 51 HG22 ILE 51 -5.054 -4.973 2.734 423 HG23 ILE 51 HG23 ILE 51 -4.806 -5.839 4.221 424 HD11 ILE 51 HD11 ILE 51 -4.626 -5.077 0.523 425 HD12 ILE 51 HD12 ILE 51 -4.999 -6.145 -0.828 426 HD13 ILE 51 HD13 ILE 51 -6.290 -5.706 0.316 427 H VAL 52 H VAL 52 -6.650 -8.722 4.870 428 HA VAL 52 HA VAL 52 -5.532 -7.434 7.148 429 HB VAL 52 HB VAL 52 -7.736 -9.525 6.882 430 HG11 VAL 52 HG11 VAL 52 -6.973 -9.516 9.221 431 HG12 VAL 52 HG12 VAL 52 -7.069 -7.743 9.264 432 HG13 VAL 52 HG13 VAL 52 -8.529 -8.721 9.081 433 HG21 VAL 52 HG21 VAL 52 -9.244 -7.588 7.078 434 HG22 VAL 52 HG22 VAL 52 -7.839 -6.498 7.161 435 HG23 VAL 52 HG23 VAL 52 -8.175 -7.402 5.682 436 H LYS 53 H LYS 53 -5.366 -10.812 6.033 437 HA LYS 53 HA LYS 53 -4.016 -11.675 8.501 438 HB2 LYS 53 HB2 LYS 53 -5.059 -13.118 6.024 439 HB3 LYS 53 HB3 LYS 53 -4.093 -13.910 7.259 440 HG2 LYS 53 HG2 LYS 53 -6.146 -14.434 8.014 441 HG3 LYS 53 HG3 LYS 53 -5.817 -13.002 8.977 442 HD2 LYS 53 HD2 LYS 53 -7.258 -11.638 7.601 443 HD3 LYS 53 HD3 LYS 53 -7.483 -12.939 6.421 444 HE2 LYS 53 HE2 LYS 53 -8.241 -13.143 9.362 445 HE3 LYS 53 HE3 LYS 53 -9.374 -12.619 8.105 446 HZ1 LYS 53 HZ1 LYS 53 -9.367 -15.034 8.752 447 HZ2 LYS 53 HZ2 LYS 53 -7.971 -15.204 7.909 448 HZ3 LYS 53 HZ3 LYS 53 -9.323 -14.737 7.126 449 H GLU 54 H GLU 54 -2.792 -9.913 6.049 450 HA GLU 54 HA GLU 54 -0.303 -11.551 5.914 451 HB2 GLU 54 HB2 GLU 54 -1.652 -10.078 3.885 452 HB3 GLU 54 HB3 GLU 54 -0.248 -9.112 4.338 453 HG2 GLU 54 HG2 GLU 54 1.164 -11.218 4.133 454 HG3 GLU 54 HG3 GLU 54 -0.284 -12.014 3.455 455 H ASN 55 H ASN 55 1.623 -10.565 6.501 456 HA ASN 55 HA ASN 55 1.510 -8.550 8.588 457 HB2 ASN 55 HB2 ASN 55 3.794 -10.033 7.213 458 HB3 ASN 55 HB3 ASN 55 4.007 -8.932 8.553 459 HD21 ASN 55 HD21 ASN 55 2.753 -9.480 10.696 460 HD22 ASN 55 HD22 ASN 55 2.516 -11.185 10.994 461 H VAL 56 H VAL 56 0.431 -7.318 6.305 462 HA VAL 56 HA VAL 56 2.526 -5.629 5.074 463 HB VAL 56 HB VAL 56 -0.274 -4.635 5.376 464 HG11 VAL 56 HG11 VAL 56 1.544 -3.379 4.273 465 HG12 VAL 56 HG12 VAL 56 1.580 -4.600 2.988 466 HG13 VAL 56 HG13 VAL 56 0.119 -3.618 3.252 467 HG21 VAL 56 HG21 VAL 56 -0.857 -6.876 4.525 468 HG22 VAL 56 HG22 VAL 56 -1.002 -5.673 3.230 469 HG23 VAL 56 HG23 VAL 56 0.415 -6.755 3.279 470 H ASN 57 H ASN 57 3.273 -3.798 5.850 471 HA ASN 57 HA ASN 57 2.679 -3.229 8.707 472 HB2 ASN 57 HB2 ASN 57 5.082 -3.256 7.147 473 HB3 ASN 57 HB3 ASN 57 4.757 -1.586 7.517 474 HD21 ASN 57 HD21 ASN 57 4.947 -4.896 8.960 475 HD22 ASN 57 HD22 ASN 57 5.365 -4.374 10.546 476 H ALA 58 H ALA 58 2.362 -1.837 5.420 477 HA ALA 58 HA ALA 58 0.666 0.277 6.488 478 HB1 ALA 58 HB1 ALA 58 2.945 1.138 6.843 479 HB2 ALA 58 HB2 ALA 58 3.370 0.781 5.158 480 HB3 ALA 58 HB3 ALA 58 2.159 2.020 5.532 481 H ILE 59 H ILE 59 -0.375 1.458 4.668 482 HA ILE 59 HA ILE 59 -0.268 -0.058 2.062 483 HB ILE 59 HB ILE 59 -2.653 1.361 3.340 484 HG12 ILE 59 HG12 ILE 59 -2.263 -1.632 2.831 485 HG13 ILE 59 HG13 ILE 59 -1.966 -0.886 4.383 486 HG21 ILE 59 HG21 ILE 59 -2.356 -0.259 0.785 487 HG22 ILE 59 HG22 ILE 59 -3.895 0.313 1.399 488 HG23 ILE 59 HG23 ILE 59 -2.714 1.487 0.864 489 HD11 ILE 59 HD11 ILE 59 -4.660 -0.938 2.984 490 HD12 ILE 59 HD12 ILE 59 -4.149 -1.879 4.392 491 HD13 ILE 59 HD13 ILE 59 -4.303 -0.119 4.526 492 H ILE 60 H ILE 60 -0.051 1.308 0.159 493 HA ILE 60 HA ILE 60 -0.004 4.244 0.617 494 HB ILE 60 HB ILE 60 1.328 2.682 -1.634 495 HG12 ILE 60 HG12 ILE 60 2.571 4.155 0.705 496 HG13 ILE 60 HG13 ILE 60 2.485 2.409 0.533 497 HG21 ILE 60 HG21 ILE 60 2.294 4.969 -2.174 498 HG22 ILE 60 HG22 ILE 60 0.551 4.889 -2.342 499 HG23 ILE 60 HG23 ILE 60 1.271 5.660 -0.909 500 HD11 ILE 60 HD11 ILE 60 4.730 3.110 0.028 501 HD12 ILE 60 HD12 ILE 60 3.960 2.473 -1.439 502 HD13 ILE 60 HD13 ILE 60 4.162 4.224 -1.222 503 H CYS 61 H CYS 61 -1.652 5.314 -0.364 504 HA CYS 61 HA CYS 61 -2.736 4.387 -2.889 505 HB2 CYS 61 HB2 CYS 61 -5.118 4.689 -2.086 506 HB3 CYS 61 HB3 CYS 61 -4.349 3.258 -1.477 507 HG CYS 61 HG CYS 61 -4.206 6.153 0.125 508 H LYS 62 H LYS 62 -3.875 6.258 -3.944 509 HA LYS 62 HA LYS 62 -3.166 8.911 -2.818 510 HB2 LYS 62 HB2 LYS 62 -4.842 8.072 -5.206 511 HB3 LYS 62 HB3 LYS 62 -4.686 9.737 -4.642 512 HG2 LYS 62 HG2 LYS 62 -2.216 9.558 -5.044 513 HG3 LYS 62 HG3 LYS 62 -2.510 7.956 -5.793 514 HD2 LYS 62 HD2 LYS 62 -4.082 9.033 -7.401 515 HD3 LYS 62 HD3 LYS 62 -3.774 10.594 -6.615 516 HE2 LYS 62 HE2 LYS 62 -1.261 10.122 -7.149 517 HE3 LYS 62 HE3 LYS 62 -1.877 8.901 -8.272 518 HZ1 LYS 62 HZ1 LYS 62 -3.360 10.970 -8.964 519 HZ2 LYS 62 HZ2 LYS 62 -1.873 10.671 -9.620 520 HZ3 LYS 62 HZ3 LYS 62 -2.027 11.793 -8.421 521 H ASN 63 H ASN 63 -6.134 6.785 -3.039 522 HA ASN 63 HA ASN 63 -7.405 8.713 -1.174 523 HB2 ASN 63 HB2 ASN 63 -8.636 7.714 -3.783 524 HB3 ASN 63 HB3 ASN 63 -9.511 8.507 -2.491 525 HD21 ASN 63 HD21 ASN 63 -7.246 9.006 -5.133 526 HD22 ASN 63 HD22 ASN 63 -7.060 10.755 -4.895 527 H ILE 64 H ILE 64 -9.157 7.786 0.009 528 HA ILE 64 HA ILE 64 -9.566 4.912 -0.146 529 HB ILE 64 HB ILE 64 -7.565 4.783 1.073 530 HG12 ILE 64 HG12 ILE 64 -9.894 4.586 3.021 531 HG13 ILE 64 HG13 ILE 64 -9.382 3.368 1.846 532 HG21 ILE 64 HG21 ILE 64 -8.535 6.787 3.113 533 HG22 ILE 64 HG22 ILE 64 -6.948 5.995 3.061 534 HG23 ILE 64 HG23 ILE 64 -7.367 7.172 1.834 535 HD11 ILE 64 HD11 ILE 64 -7.841 4.247 4.290 536 HD12 ILE 64 HD12 ILE 64 -8.592 2.676 3.972 537 HD13 ILE 64 HD13 ILE 64 -7.199 3.214 3.021 538 H SER 65 H SER 65 -11.671 4.686 0.074 539 HA SER 65 HA SER 65 -13.440 6.729 0.971 540 HB2 SER 65 HB2 SER 65 -13.881 4.627 -0.527 541 HB3 SER 65 HB3 SER 65 -14.076 3.764 1.018 542 HG SER 65 HG SER 65 -16.037 4.518 0.274 543 H GLU 66 H GLU 66 -14.557 6.927 2.862 544 HA GLU 66 HA GLU 66 -13.211 6.847 5.217 545 HB2 GLU 66 HB2 GLU 66 -15.618 7.842 4.234 546 HB3 GLU 66 HB3 GLU 66 -16.204 6.700 5.414 547 HG2 GLU 66 HG2 GLU 66 -15.554 7.985 7.171 548 HG3 GLU 66 HG3 GLU 66 -14.015 8.422 6.452 549 H GLU 67 H GLU 67 -15.753 4.561 4.171 550 HA GLU 67 HA GLU 67 -15.942 3.164 6.594 551 HB2 GLU 67 HB2 GLU 67 -17.110 3.067 4.033 552 HB3 GLU 67 HB3 GLU 67 -16.581 1.423 4.365 553 HG2 GLU 67 HG2 GLU 67 -17.962 2.872 6.650 554 HG3 GLU 67 HG3 GLU 67 -18.904 2.569 5.244 555 H ASN 68 H ASN 68 -13.568 2.913 4.096 556 HA ASN 68 HA ASN 68 -12.397 0.343 5.081 557 HB2 ASN 68 HB2 ASN 68 -11.926 2.187 2.741 558 HB3 ASN 68 HB3 ASN 68 -10.526 1.321 3.359 559 HD21 ASN 68 HD21 ASN 68 -12.333 1.143 0.802 560 HD22 ASN 68 HD22 ASN 68 -12.218 -0.535 0.513 561 H TYR 69 H TYR 69 -11.602 3.892 4.936 562 HA TYR 69 HA TYR 69 -9.019 3.611 6.065 563 HB2 TYR 69 HB2 TYR 69 -9.811 5.731 5.043 564 HB3 TYR 69 HB3 TYR 69 -10.940 5.952 6.370 565 HD1 TYR 69 HD1 TYR 69 -10.135 6.535 8.646 566 HD2 TYR 69 HD2 TYR 69 -7.357 6.026 5.386 567 HE1 TYR 69 HE1 TYR 69 -8.353 7.439 10.035 568 HE2 TYR 69 HE2 TYR 69 -5.569 7.009 6.735 569 HH TYR 69 HH TYR 69 -5.067 8.148 8.686 570 H LYS 70 H LYS 70 -12.092 4.339 7.691 571 HA LYS 70 HA LYS 70 -11.155 4.354 10.333 572 HB2 LYS 70 HB2 LYS 70 -13.839 3.617 9.083 573 HB3 LYS 70 HB3 LYS 70 -13.621 3.751 10.829 574 HG2 LYS 70 HG2 LYS 70 -13.096 6.075 10.721 575 HG3 LYS 70 HG3 LYS 70 -12.932 6.054 8.956 576 HD2 LYS 70 HD2 LYS 70 -15.224 5.874 8.563 577 HD3 LYS 70 HD3 LYS 70 -15.558 5.177 10.148 578 HE2 LYS 70 HE2 LYS 70 -16.434 7.450 9.981 579 HE3 LYS 70 HE3 LYS 70 -15.242 7.275 11.273 580 HZ1 LYS 70 HZ1 LYS 70 -13.603 8.303 9.723 581 HZ2 LYS 70 HZ2 LYS 70 -14.858 9.273 10.122 582 HZ3 LYS 70 HZ3 LYS 70 -14.835 8.564 8.661 583 H LYS 71 H LYS 71 -11.601 1.582 8.241 584 HA LYS 71 HA LYS 71 -11.644 -0.377 10.418 585 HB2 LYS 71 HB2 LYS 71 -12.762 -0.686 8.148 586 HB3 LYS 71 HB3 LYS 71 -11.166 -0.848 7.451 587 HG2 LYS 71 HG2 LYS 71 -11.050 -3.002 8.016 588 HG3 LYS 71 HG3 LYS 71 -11.242 -2.599 9.737 589 HD2 LYS 71 HD2 LYS 71 -13.057 -4.050 9.274 590 HD3 LYS 71 HD3 LYS 71 -13.766 -2.429 9.298 591 HE2 LYS 71 HE2 LYS 71 -13.427 -2.389 6.757 592 HE3 LYS 71 HE3 LYS 71 -12.980 -4.092 6.853 593 HZ1 LYS 71 HZ1 LYS 71 -15.216 -3.960 6.297 594 HZ2 LYS 71 HZ2 LYS 71 -15.559 -2.829 7.424 595 HZ3 LYS 71 HZ3 LYS 71 -15.240 -4.378 7.909 596 H PHE 72 H PHE 72 -9.459 0.551 7.735 597 HA PHE 72 HA PHE 72 -7.448 -1.267 8.534 598 HB2 PHE 72 HB2 PHE 72 -7.667 0.896 6.451 599 HB3 PHE 72 HB3 PHE 72 -6.091 0.221 6.819 600 HD1 PHE 72 HD1 PHE 72 -5.532 -2.091 6.405 601 HD2 PHE 72 HD2 PHE 72 -9.363 -0.554 5.237 602 HE1 PHE 72 HE1 PHE 72 -5.923 -4.130 5.098 603 HE2 PHE 72 HE2 PHE 72 -9.694 -2.555 3.802 604 HZ PHE 72 HZ PHE 72 -8.027 -4.382 3.780 605 H SER 73 H SER 73 -7.861 2.205 9.367 606 HA SER 73 HA SER 73 -5.171 2.600 10.058 607 HB2 SER 73 HB2 SER 73 -5.843 4.681 10.954 608 HB3 SER 73 HB3 SER 73 -6.866 4.359 9.555 609 HG SER 73 HG SER 73 -7.530 4.924 12.024 610 H LYS 74 H LYS 74 -7.350 0.679 11.775 611 HA LYS 74 HA LYS 74 -6.786 1.199 14.447 612 HB2 LYS 74 HB2 LYS 74 -8.511 -0.303 13.234 613 HB3 LYS 74 HB3 LYS 74 -7.301 -1.564 13.309 614 HG2 LYS 74 HG2 LYS 74 -7.849 -0.175 15.910 615 HG3 LYS 74 HG3 LYS 74 -9.266 -0.891 15.202 616 HD2 LYS 74 HD2 LYS 74 -6.774 -2.321 16.114 617 HD3 LYS 74 HD3 LYS 74 -8.432 -2.474 16.707 618 HE2 LYS 74 HE2 LYS 74 -8.773 -3.135 14.059 619 HE3 LYS 74 HE3 LYS 74 -7.114 -3.703 14.313 620 HZ1 LYS 74 HZ1 LYS 74 -8.055 -4.982 16.238 621 HZ2 LYS 74 HZ2 LYS 74 -8.605 -5.458 14.768 622 HZ3 LYS 74 HZ3 LYS 74 -9.562 -4.541 15.710 623 H LYS 75 H LYS 75 -4.526 -0.170 12.202 624 HA LYS 75 HA LYS 75 -2.522 -0.032 14.251 625 HB2 LYS 75 HB2 LYS 75 -3.544 -2.698 13.696 626 HB3 LYS 75 HB3 LYS 75 -1.925 -2.597 13.036 627 HG2 LYS 75 HG2 LYS 75 -2.701 -2.023 15.929 628 HG3 LYS 75 HG3 LYS 75 -1.986 -3.498 15.304 629 HD2 LYS 75 HD2 LYS 75 -0.001 -2.036 14.526 630 HD3 LYS 75 HD3 LYS 75 -0.691 -0.765 15.511 631 HE2 LYS 75 HE2 LYS 75 0.996 -1.829 16.822 632 HE3 LYS 75 HE3 LYS 75 -0.556 -2.306 17.506 633 HZ1 LYS 75 HZ1 LYS 75 1.156 -3.954 15.732 634 HZ2 LYS 75 HZ2 LYS 75 -0.305 -4.445 16.285 635 HZ3 LYS 75 HZ3 LYS 75 0.922 -4.181 17.338 636 H ILE 76 H ILE 76 -3.328 -1.131 10.953 637 HA ILE 76 HA ILE 76 -0.760 -0.756 9.781 638 HB ILE 76 HB ILE 76 -3.546 -0.657 8.566 639 HG12 ILE 76 HG12 ILE 76 -1.736 -3.092 8.474 640 HG13 ILE 76 HG13 ILE 76 -2.741 -2.838 9.888 641 HG21 ILE 76 HG21 ILE 76 -0.862 -1.220 7.241 642 HG22 ILE 76 HG22 ILE 76 -2.449 -1.328 6.460 643 HG23 ILE 76 HG23 ILE 76 -1.857 0.236 7.005 644 HD11 ILE 76 HD11 ILE 76 -3.754 -2.962 7.058 645 HD12 ILE 76 HD12 ILE 76 -3.833 -4.281 8.230 646 HD13 ILE 76 HD13 ILE 76 -4.754 -2.786 8.520 647 H GLU 77 H GLU 77 0.199 1.042 8.919 648 HA GLU 77 HA GLU 77 -1.006 3.684 9.363 649 HB2 GLU 77 HB2 GLU 77 1.767 2.663 8.596 650 HB3 GLU 77 HB3 GLU 77 1.353 4.375 8.780 651 HG2 GLU 77 HG2 GLU 77 0.805 4.145 11.074 652 HG3 GLU 77 HG3 GLU 77 0.782 2.402 11.035 653 H ILE 78 H ILE 78 -2.005 4.776 7.654 654 HA ILE 78 HA ILE 78 -1.579 3.690 4.934 655 HB ILE 78 HB ILE 78 -3.842 5.409 5.994 656 HG12 ILE 78 HG12 ILE 78 -4.863 2.903 5.359 657 HG13 ILE 78 HG13 ILE 78 -3.350 2.452 6.086 658 HG21 ILE 78 HG21 ILE 78 -3.454 5.615 3.573 659 HG22 ILE 78 HG22 ILE 78 -3.462 3.858 3.395 660 HG23 ILE 78 HG23 ILE 78 -4.949 4.727 3.879 661 HD11 ILE 78 HD11 ILE 78 -5.134 2.495 7.736 662 HD12 ILE 78 HD12 ILE 78 -3.997 3.807 8.121 663 HD13 ILE 78 HD13 ILE 78 -5.549 4.172 7.323 664 H TYR 79 H TYR 79 -0.624 4.879 3.435 665 HA TYR 79 HA TYR 79 0.233 7.651 4.098 666 HB2 TYR 79 HB2 TYR 79 1.636 5.338 2.757 667 HB3 TYR 79 HB3 TYR 79 2.222 6.987 2.688 668 HD1 TYR 79 HD2 TYR 79 1.609 4.124 5.100 669 HD2 TYR 79 HD1 TYR 79 3.432 7.977 4.455 670 HE1 TYR 79 HE2 TYR 79 3.083 3.760 7.043 671 HE2 TYR 79 HE1 TYR 79 4.858 7.631 6.453 672 HH TYR 79 HH TYR 79 5.696 5.932 8.001 673 H HIS 80 H HIS 80 0.393 9.089 2.369 674 HA HIS 80 HA HIS 80 -1.580 8.659 0.279 675 HB2 HIS 80 HB2 HIS 80 -1.256 10.805 1.684 676 HB3 HIS 80 HB3 HIS 80 0.205 11.073 0.728 677 HD1 HIS 80 HD1 HIS 80 -0.291 12.549 -1.344 678 HD2 HIS 80 HD2 HIS 80 -3.547 10.216 -0.058 679 HE1 HIS 80 HE1 HIS 80 -2.261 12.909 -3.051 680 H ALA 81 H ALA 81 -1.099 8.620 -1.902 681 HA ALA 81 HA ALA 81 1.682 7.962 -2.649 682 HB1 ALA 81 HB1 ALA 81 -0.922 7.923 -4.202 683 HB2 ALA 81 HB2 ALA 81 0.665 7.597 -4.924 684 HB3 ALA 81 HB3 ALA 81 0.020 6.526 -3.667 685 H GLU 82 H GLU 82 2.990 9.469 -3.142 686 HA GLU 82 HA GLU 82 2.287 12.147 -4.142 687 HB2 GLU 82 HB2 GLU 82 4.782 10.621 -3.374 688 HB3 GLU 82 HB3 GLU 82 4.952 11.967 -4.497 689 HG2 GLU 82 HG2 GLU 82 3.591 12.198 -1.786 690 HG3 GLU 82 HG3 GLU 82 5.281 12.627 -2.110 691 H GLY 83 H GLY 83 0.944 11.165 -5.878 692 HA2 GLY 83 HA2 GLY 83 1.007 11.476 -8.263 693 HA3 GLY 83 HA3 GLY 83 2.674 10.982 -8.301 694 H ASP 84 H ASP 84 1.685 9.888 -10.151 695 HA ASP 84 HA ASP 84 0.146 7.419 -9.666 696 HB2 ASP 84 HB2 ASP 84 1.287 8.756 -12.162 697 HB3 ASP 84 HB3 ASP 84 0.405 7.231 -12.157 698 H ASP 85 H ASP 85 3.330 8.465 -9.665 699 HA ASP 85 HA ASP 85 4.516 6.174 -11.006 700 HB2 ASP 85 HB2 ASP 85 5.511 8.558 -10.924 701 HB3 ASP 85 HB3 ASP 85 5.948 8.210 -9.324 702 H VAL 86 H VAL 86 4.158 4.326 -9.953 703 HA VAL 86 HA VAL 86 4.297 3.669 -7.227 704 HB VAL 86 HB VAL 86 5.259 2.077 -9.655 705 HG11 VAL 86 HG11 VAL 86 6.308 1.064 -7.756 706 HG12 VAL 86 HG12 VAL 86 4.845 1.151 -6.775 707 HG13 VAL 86 HG13 VAL 86 4.933 0.048 -8.177 708 HG21 VAL 86 HG21 VAL 86 2.862 2.621 -9.747 709 HG22 VAL 86 HG22 VAL 86 3.127 0.897 -9.480 710 HG23 VAL 86 HG23 VAL 86 2.633 1.926 -8.120 711 H ASP 87 H ASP 87 7.048 4.064 -9.580 712 HA ASP 87 HA ASP 87 8.907 2.998 -7.708 713 HB2 ASP 87 HB2 ASP 87 9.321 4.547 -10.289 714 HB3 ASP 87 HB3 ASP 87 10.634 3.923 -9.308 715 H LYS 88 H LYS 88 7.971 6.326 -8.650 716 HA LYS 88 HA LYS 88 9.807 7.711 -6.967 717 HB2 LYS 88 HB2 LYS 88 8.220 8.730 -8.688 718 HB3 LYS 88 HB3 LYS 88 6.908 8.421 -7.553 719 HG2 LYS 88 HG2 LYS 88 7.690 10.781 -7.679 720 HG3 LYS 88 HG3 LYS 88 7.541 10.093 -6.072 721 HD2 LYS 88 HD2 LYS 88 9.742 10.336 -5.614 722 HD3 LYS 88 HD3 LYS 88 10.240 9.776 -7.210 723 HE2 LYS 88 HE2 LYS 88 11.022 11.989 -6.918 724 HE3 LYS 88 HE3 LYS 88 9.826 11.915 -8.223 725 HZ1 LYS 88 HZ1 LYS 88 9.626 13.194 -5.596 726 HZ2 LYS 88 HZ2 LYS 88 8.225 12.794 -6.363 727 HZ3 LYS 88 HZ3 LYS 88 9.304 13.794 -7.073 728 H ASN 89 H ASN 89 6.696 6.153 -6.269 729 HA ASN 89 HA ASN 89 6.528 7.212 -3.571 730 HB2 ASN 89 HB2 ASN 89 4.937 5.256 -5.236 731 HB3 ASN 89 HB3 ASN 89 4.672 5.352 -3.502 732 HD21 ASN 89 HD21 ASN 89 4.519 7.174 -6.518 733 HD22 ASN 89 HD22 ASN 89 3.924 8.668 -5.825 734 H ILE 90 H ILE 90 7.746 4.215 -4.985 735 HA ILE 90 HA ILE 90 8.010 2.754 -2.514 736 HB ILE 90 HB ILE 90 9.317 2.556 -5.259 737 HG12 ILE 90 HG12 ILE 90 7.362 0.709 -3.784 738 HG13 ILE 90 HG13 ILE 90 6.935 1.830 -5.034 739 HG21 ILE 90 HG21 ILE 90 10.407 0.453 -4.555 740 HG22 ILE 90 HG22 ILE 90 11.022 1.802 -3.647 741 HG23 ILE 90 HG23 ILE 90 9.834 0.721 -2.884 742 HD11 ILE 90 HD11 ILE 90 8.429 0.569 -6.627 743 HD12 ILE 90 HD12 ILE 90 8.670 -0.649 -5.348 744 HD13 ILE 90 HD13 ILE 90 7.055 -0.365 -5.988 745 H SER 91 H SER 91 10.306 4.753 -4.439 746 HA SER 91 HA SER 91 12.412 4.596 -2.535 747 HB2 SER 91 HB2 SER 91 13.245 6.647 -3.819 748 HB3 SER 91 HB3 SER 91 13.017 5.125 -4.695 749 HG SER 91 HG SER 91 11.176 5.898 -5.647 750 H LEU 92 H LEU 92 9.851 7.101 -2.976 751 HA LEU 92 HA LEU 92 10.734 8.829 -0.875 752 HB2 LEU 92 HB2 LEU 92 7.996 8.235 -2.056 753 HB3 LEU 92 HB3 LEU 92 8.192 9.371 -0.740 754 HG LEU 92 HG LEU 92 9.637 9.748 -3.390 755 HD11 LEU 92 HD11 LEU 92 7.009 10.961 -2.441 756 HD12 LEU 92 HD12 LEU 92 7.159 9.741 -3.712 757 HD13 LEU 92 HD13 LEU 92 7.860 11.358 -3.940 758 HD21 LEU 92 HD21 LEU 92 9.923 12.025 -2.641 759 HD22 LEU 92 HD22 LEU 92 10.553 10.969 -1.369 760 HD23 LEU 92 HD23 LEU 92 8.961 11.735 -1.191 761 H PHE 93 H PHE 93 8.664 5.907 -0.793 762 HA PHE 93 HA PHE 93 7.864 6.195 1.917 763 HB2 PHE 93 HB2 PHE 93 6.624 4.741 0.435 764 HB3 PHE 93 HB3 PHE 93 8.054 3.813 0.046 765 HD1 PHE 93 HD2 PHE 93 6.486 4.945 3.276 766 HD2 PHE 93 HD1 PHE 93 8.142 1.711 0.981 767 HE1 PHE 93 HE2 PHE 93 5.823 3.346 5.072 768 HE2 PHE 93 HE1 PHE 93 7.590 0.131 2.813 769 HZ PHE 93 HZ PHE 93 6.318 0.932 4.804 770 H ILE 94 H ILE 94 10.442 4.153 0.440 771 HA ILE 94 HA ILE 94 11.371 2.971 2.760 772 HB ILE 94 HB ILE 94 12.816 3.768 0.202 773 HG12 ILE 94 HG12 ILE 94 11.980 0.982 1.120 774 HG13 ILE 94 HG13 ILE 94 10.855 2.017 0.261 775 HG21 ILE 94 HG21 ILE 94 13.818 1.913 2.405 776 HG22 ILE 94 HG22 ILE 94 14.584 2.112 0.817 777 HG23 ILE 94 HG23 ILE 94 14.555 3.458 1.932 778 HD11 ILE 94 HD11 ILE 94 11.896 0.536 -1.326 779 HD12 ILE 94 HD12 ILE 94 12.454 2.190 -1.648 780 HD13 ILE 94 HD13 ILE 94 13.517 1.029 -0.829 781 H GLU 95 H GLU 95 12.137 6.220 1.474 782 HA GLU 95 HA GLU 95 14.028 6.842 3.617 783 HB2 GLU 95 HB2 GLU 95 12.857 8.269 1.226 784 HB3 GLU 95 HB3 GLU 95 13.809 9.155 2.409 785 HG2 GLU 95 HG2 GLU 95 15.008 6.568 1.386 786 HG3 GLU 95 HG3 GLU 95 14.874 7.915 0.260 787 H GLY 96 H GLY 96 10.626 6.777 3.506 788 HA2 GLY 96 HA2 GLY 96 9.275 7.145 5.305 789 HA3 GLY 96 HA3 GLY 96 10.549 8.071 6.107 790 H GLU 97 H GLU 97 10.199 9.303 2.949 791 HA GLU 97 HA GLU 97 9.227 11.784 3.902 792 HB2 GLU 97 HB2 GLU 97 10.401 10.611 1.503 793 HB3 GLU 97 HB3 GLU 97 9.064 11.648 1.044 794 HG2 GLU 97 HG2 GLU 97 11.252 12.567 2.938 795 HG3 GLU 97 HG3 GLU 97 11.406 12.636 1.190 796 H LEU 98 H LEU 98 7.453 9.054 2.511 797 HA LEU 98 HA LEU 98 5.345 10.648 1.330 798 HB2 LEU 98 HB2 LEU 98 5.195 7.791 2.361 799 HB3 LEU 98 HB3 LEU 98 3.872 8.623 1.564 800 HG LEU 98 HG LEU 98 6.523 7.884 0.302 801 HD11 LEU 98 HD11 LEU 98 3.658 7.027 -0.314 802 HD12 LEU 98 HD12 LEU 98 4.808 6.072 0.637 803 HD13 LEU 98 HD13 LEU 98 5.137 6.419 -1.073 804 HD21 LEU 98 HD21 LEU 98 4.165 9.407 -0.905 805 HD22 LEU 98 HD22 LEU 98 5.533 8.743 -1.818 806 HD23 LEU 98 HD23 LEU 98 5.805 10.043 -0.659 807 H SER 99 H SER 99 3.521 11.489 1.998 808 HA SER 99 HA SER 99 3.383 12.126 4.783 809 HB2 SER 99 HB2 SER 99 1.521 13.572 3.972 810 HB3 SER 99 HB3 SER 99 3.073 13.783 3.127 811 HG SER 99 HG SER 99 0.892 13.548 1.971 812 H LYS 100 H LYS 100 2.127 11.262 6.357 813 HA LYS 100 HA LYS 100 0.550 8.913 5.680 814 HB2 LYS 100 HB2 LYS 100 0.812 10.412 8.307 815 HB3 LYS 100 HB3 LYS 100 -0.097 8.908 8.054 816 HG2 LYS 100 HG2 LYS 100 1.898 7.786 7.198 817 HG3 LYS 100 HG3 LYS 100 2.863 9.255 7.418 818 HD2 LYS 100 HD2 LYS 100 3.426 7.791 9.126 819 HD3 LYS 100 HD3 LYS 100 2.481 9.062 9.900 820 HE2 LYS 100 HE2 LYS 100 1.201 6.464 8.935 821 HE3 LYS 100 HE3 LYS 100 2.078 6.520 10.469 822 HZ1 LYS 100 HZ1 LYS 100 -0.197 6.927 10.903 823 HZ2 LYS 100 HZ2 LYS 100 -0.287 8.181 9.835 824 HZ3 LYS 100 HZ3 LYS 100 0.630 8.315 11.167 825 H ILE 101 H ILE 101 -1.678 8.626 5.824 826 HA ILE 101 HA ILE 101 -3.268 11.018 5.118 827 HB ILE 101 HB ILE 101 -3.767 8.013 5.026 828 HG12 ILE 101 HG12 ILE 101 -3.369 10.185 2.915 829 HG13 ILE 101 HG13 ILE 101 -2.337 8.800 3.251 830 HG21 ILE 101 HG21 ILE 101 -5.872 9.153 5.629 831 HG22 ILE 101 HG22 ILE 101 -5.684 10.234 4.223 832 HG23 ILE 101 HG23 ILE 101 -5.920 8.476 4.016 833 HD11 ILE 101 HD11 ILE 101 -3.492 8.268 1.247 834 HD12 ILE 101 HD12 ILE 101 -4.306 7.319 2.495 835 HD13 ILE 101 HD13 ILE 101 -5.044 8.814 1.883 836 H SER 102 H SER 102 -4.886 11.824 6.426 837 HA SER 102 HA SER 102 -5.544 10.422 8.968 838 HB2 SER 102 HB2 SER 102 -5.523 12.573 10.147 839 HB3 SER 102 HB3 SER 102 -3.924 12.079 9.597 840 HG SER 102 HG SER 102 -5.463 14.255 8.877 841 H ASN 103 H ASN 103 -6.383 13.051 6.710 842 HA ASN 103 HA ASN 103 -9.271 12.385 6.947 843 HB2 ASN 103 HB2 ASN 103 -9.667 14.757 6.283 844 HB3 ASN 103 HB3 ASN 103 -9.132 14.469 7.936 845 HD21 ASN 103 HD21 ASN 103 -8.889 16.857 7.668 846 HD22 ASN 103 HD22 ASN 103 -7.370 17.498 7.096 847 HA PRO 104 HA PRO 104 -8.357 11.757 2.485 848 HB2 PRO 104 HB2 PRO 104 -9.137 9.133 2.352 849 HB3 PRO 104 HB3 PRO 104 -7.482 9.625 2.796 850 HG2 PRO 104 HG2 PRO 104 -9.742 8.680 4.557 851 HG3 PRO 104 HG3 PRO 104 -8.027 8.373 4.730 852 HD2 PRO 104 HD2 PRO 104 -9.492 10.340 6.097 853 HD3 PRO 104 HD3 PRO 104 -7.720 10.262 5.948 Start of MODEL 3 1 H1 GLY -2 H GLY -2 20.055 4.996 4.517 2 HA2 GLY -2 HA2 GLY -2 18.638 3.719 6.070 3 HA3 GLY -2 HA3 GLY -2 18.051 3.618 4.387 4 H HIS -1 H HIS -1 17.892 1.669 6.739 5 HA HIS -1 HA HIS -1 18.541 -0.746 5.235 6 HB2 HIS -1 HB2 HIS -1 19.506 -0.093 8.028 7 HB3 HIS -1 HB3 HIS -1 19.346 -1.743 7.440 8 HD1 HIS -1 HD1 HIS -1 20.640 -1.473 4.555 9 HD2 HIS -1 HD2 HIS -1 22.106 0.297 8.103 10 HE1 HIS -1 HE1 HIS -1 23.124 -1.148 4.209 11 H MET 1 H MET 1 16.866 -2.273 5.703 12 HA MET 1 HA MET 1 14.848 -1.696 7.681 13 HB2 MET 1 HB2 MET 1 14.120 -0.065 5.930 14 HB3 MET 1 HB3 MET 1 14.162 -1.385 4.730 15 HG2 MET 1 HG2 MET 1 11.864 -0.849 5.609 16 HG3 MET 1 HG3 MET 1 12.349 -2.527 5.833 17 HE1 MET 1 HE1 MET 1 9.827 -1.813 7.606 18 HE2 MET 1 HE2 MET 1 10.795 -3.293 7.467 19 HE3 MET 1 HE3 MET 1 10.450 -2.600 9.060 20 H ILE 2 H ILE 2 13.635 -3.593 8.040 21 HA ILE 2 HA ILE 2 14.031 -5.879 6.214 22 HB ILE 2 HB ILE 2 14.402 -6.045 9.195 23 HG12 ILE 2 HG12 ILE 2 16.676 -6.152 7.146 24 HG13 ILE 2 HG13 ILE 2 16.293 -4.691 8.053 25 HG21 ILE 2 HG21 ILE 2 15.414 -8.302 8.557 26 HG22 ILE 2 HG22 ILE 2 13.686 -8.141 8.233 27 HG23 ILE 2 HG23 ILE 2 14.844 -7.986 6.906 28 HD11 ILE 2 HD11 ILE 2 18.091 -5.724 9.126 29 HD12 ILE 2 HD12 ILE 2 16.669 -5.824 10.176 30 HD13 ILE 2 HD13 ILE 2 17.235 -7.265 9.288 31 H ASN 3 H ASN 3 12.332 -7.407 6.241 32 HA ASN 3 HA ASN 3 10.288 -7.884 6.054 33 HB2 ASN 3 HB2 ASN 3 10.739 -9.112 8.116 34 HB3 ASN 3 HB3 ASN 3 10.070 -7.769 9.055 35 HD21 ASN 3 HD21 ASN 3 7.964 -8.310 9.709 36 HD22 ASN 3 HD22 ASN 3 6.776 -9.080 8.716 37 H MET 4 H MET 4 10.469 -5.383 5.305 38 HA MET 4 HA MET 4 8.156 -3.852 6.354 39 HB2 MET 4 HB2 MET 4 10.191 -2.871 5.089 40 HB3 MET 4 HB3 MET 4 9.500 -3.689 3.671 41 HG2 MET 4 HG2 MET 4 8.866 -1.461 3.509 42 HG3 MET 4 HG3 MET 4 7.418 -2.322 4.009 43 HE1 MET 4 HE1 MET 4 9.844 0.872 6.269 44 HE2 MET 4 HE2 MET 4 10.252 0.042 4.758 45 HE3 MET 4 HE3 MET 4 9.011 1.298 4.782 46 H LYS 5 H LYS 5 6.160 -3.980 5.365 47 HA LYS 5 HA LYS 5 5.822 -5.529 2.865 48 HB2 LYS 5 HB2 LYS 5 4.353 -6.100 5.472 49 HB3 LYS 5 HB3 LYS 5 3.429 -6.077 3.934 50 HG2 LYS 5 HG2 LYS 5 5.005 -7.701 3.037 51 HG3 LYS 5 HG3 LYS 5 5.760 -7.823 4.641 52 HD2 LYS 5 HD2 LYS 5 3.623 -8.503 5.620 53 HD3 LYS 5 HD3 LYS 5 2.812 -8.359 4.040 54 HE2 LYS 5 HE2 LYS 5 5.253 -10.027 4.543 55 HE3 LYS 5 HE3 LYS 5 3.639 -10.715 4.811 56 HZ1 LYS 5 HZ1 LYS 5 4.712 -9.737 2.223 57 HZ2 LYS 5 HZ2 LYS 5 3.159 -10.317 2.466 58 HZ3 LYS 5 HZ3 LYS 5 4.464 -11.296 2.661 59 H VAL 6 H VAL 6 4.481 -4.353 1.481 60 HA VAL 6 HA VAL 6 2.765 -2.285 2.659 61 HB VAL 6 HB VAL 6 4.806 -1.912 0.432 62 HG11 VAL 6 HG11 VAL 6 3.971 0.326 0.149 63 HG12 VAL 6 HG12 VAL 6 2.679 -0.813 -0.167 64 HG13 VAL 6 HG13 VAL 6 2.702 0.052 1.388 65 HG21 VAL 6 HG21 VAL 6 5.890 -1.554 2.513 66 HG22 VAL 6 HG22 VAL 6 5.429 0.039 1.891 67 HG23 VAL 6 HG23 VAL 6 4.482 -0.696 3.188 68 H ALA 7 H ALA 7 0.850 -2.122 1.567 69 HA ALA 7 HA ALA 7 0.447 -3.843 -0.838 70 HB1 ALA 7 HB1 ALA 7 -0.969 -4.485 1.078 71 HB2 ALA 7 HB2 ALA 7 -1.551 -2.821 1.216 72 HB3 ALA 7 HB3 ALA 7 -1.963 -3.779 -0.214 73 H ILE 8 H ILE 8 0.994 -2.483 -2.528 74 HA ILE 8 HA ILE 8 0.102 0.350 -2.447 75 HB ILE 8 HB ILE 8 1.810 -1.124 -4.512 76 HG12 ILE 8 HG12 ILE 8 2.552 0.519 -2.064 77 HG13 ILE 8 HG13 ILE 8 2.946 -1.177 -2.390 78 HG21 ILE 8 HG21 ILE 8 2.382 1.183 -5.271 79 HG22 ILE 8 HG22 ILE 8 0.645 0.928 -5.367 80 HG23 ILE 8 HG23 ILE 8 1.324 1.866 -4.026 81 HD11 ILE 8 HD11 ILE 8 4.082 1.238 -3.756 82 HD12 ILE 8 HD12 ILE 8 4.913 0.137 -2.681 83 HD13 ILE 8 HD13 ILE 8 4.390 -0.429 -4.292 84 H SER 9 H SER 9 -1.987 0.797 -3.252 85 HA SER 9 HA SER 9 -3.422 -1.233 -4.726 86 HB2 SER 9 HB2 SER 9 -5.112 0.616 -4.815 87 HB3 SER 9 HB3 SER 9 -4.538 0.266 -3.183 88 HG SER 9 HG SER 9 -3.355 2.246 -4.796 89 H MET 10 H MET 10 -3.490 -1.531 -6.983 90 HA MET 10 HA MET 10 -2.488 0.663 -8.719 91 HB2 MET 10 HB2 MET 10 -2.072 -2.280 -9.257 92 HB3 MET 10 HB3 MET 10 -1.446 -0.872 -10.126 93 HG2 MET 10 HG2 MET 10 -0.224 -0.379 -7.833 94 HG3 MET 10 HG3 MET 10 -0.529 -2.097 -7.556 95 HE1 MET 10 HE1 MET 10 0.595 -0.372 -11.242 96 HE2 MET 10 HE2 MET 10 1.119 0.577 -9.825 97 HE3 MET 10 HE3 MET 10 2.289 -0.322 -10.791 98 H ASP 11 H ASP 11 -3.283 0.493 -10.920 99 HA ASP 11 HA ASP 11 -6.091 -0.603 -11.117 100 HB2 ASP 11 HB2 ASP 11 -5.209 2.000 -11.466 101 HB3 ASP 11 HB3 ASP 11 -5.127 1.413 -13.098 102 H VAL 12 H VAL 12 -3.220 0.026 -13.316 103 HA VAL 12 HA VAL 12 -3.584 -2.683 -14.345 104 HB VAL 12 HB VAL 12 -3.791 -0.185 -16.149 105 HG11 VAL 12 HG11 VAL 12 -2.625 -2.091 -17.252 106 HG12 VAL 12 HG12 VAL 12 -4.059 -3.099 -16.982 107 HG13 VAL 12 HG13 VAL 12 -4.126 -1.651 -18.033 108 HG21 VAL 12 HG21 VAL 12 -6.070 -0.844 -16.764 109 HG22 VAL 12 HG22 VAL 12 -6.012 -2.196 -15.596 110 HG23 VAL 12 HG23 VAL 12 -5.969 -0.503 -15.060 111 H ASP 13 H ASP 13 -1.878 0.501 -14.860 112 HA ASP 13 HA ASP 13 0.660 -1.015 -14.869 113 HB2 ASP 13 HB2 ASP 13 -0.676 -0.006 -17.103 114 HB3 ASP 13 HB3 ASP 13 0.273 1.398 -16.634 115 H LYS 14 H LYS 14 -0.992 1.151 -13.079 116 HA LYS 14 HA LYS 14 1.384 2.258 -11.912 117 HB2 LYS 14 HB2 LYS 14 0.758 4.627 -12.180 118 HB3 LYS 14 HB3 LYS 14 1.253 3.846 -13.642 119 HG2 LYS 14 HG2 LYS 14 -1.256 3.646 -14.232 120 HG3 LYS 14 HG3 LYS 14 -1.585 4.637 -12.810 121 HD2 LYS 14 HD2 LYS 14 -1.503 6.115 -14.725 122 HD3 LYS 14 HD3 LYS 14 -0.010 6.391 -13.828 123 HE2 LYS 14 HE2 LYS 14 1.135 4.729 -15.409 124 HE3 LYS 14 HE3 LYS 14 -0.359 4.730 -16.356 125 HZ1 LYS 14 HZ1 LYS 14 -0.017 7.158 -16.621 126 HZ2 LYS 14 HZ2 LYS 14 1.200 6.247 -17.265 127 HZ3 LYS 14 HZ3 LYS 14 1.429 7.025 -15.835 128 H ILE 15 H ILE 15 0.573 3.943 -10.107 129 HA ILE 15 HA ILE 15 -0.983 2.373 -8.296 130 HB ILE 15 HB ILE 15 -0.297 5.336 -8.179 131 HG12 ILE 15 HG12 ILE 15 1.098 2.926 -6.931 132 HG13 ILE 15 HG13 ILE 15 1.694 3.850 -8.310 133 HG21 ILE 15 HG21 ILE 15 -2.152 4.751 -6.605 134 HG22 ILE 15 HG22 ILE 15 -1.086 3.545 -5.848 135 HG23 ILE 15 HG23 ILE 15 -0.703 5.277 -5.789 136 HD11 ILE 15 HD11 ILE 15 2.923 4.548 -6.394 137 HD12 ILE 15 HD12 ILE 15 1.863 5.873 -6.868 138 HD13 ILE 15 HD13 ILE 15 1.469 4.851 -5.456 139 H SER 16 H SER 16 -3.155 2.546 -7.638 140 HA SER 16 HA SER 16 -4.979 3.399 -9.706 141 HB2 SER 16 HB2 SER 16 -6.676 2.512 -8.178 142 HB3 SER 16 HB3 SER 16 -5.334 1.400 -8.325 143 HG SER 16 HG SER 16 -6.361 2.552 -6.165 144 H ASN 17 H ASN 17 -6.783 4.900 -9.318 145 HA ASN 17 HA ASN 17 -6.030 7.480 -8.279 146 HB2 ASN 17 HB2 ASN 17 -7.612 7.001 -10.160 147 HB3 ASN 17 HB3 ASN 17 -8.770 6.339 -8.983 148 HD21 ASN 17 HD21 ASN 17 -9.736 7.793 -7.417 149 HD22 ASN 17 HD22 ASN 17 -9.793 9.520 -7.742 150 H SER 18 H SER 18 -7.962 4.727 -7.002 151 HA SER 18 HA SER 18 -7.777 5.890 -4.291 152 HB2 SER 18 HB2 SER 18 -10.496 4.909 -4.799 153 HB3 SER 18 HB3 SER 18 -9.941 6.326 -3.996 154 HG SER 18 HG SER 18 -10.685 7.341 -5.612 155 H PHE 19 H PHE 19 -8.576 4.315 -2.556 156 HA PHE 19 HA PHE 19 -7.336 1.752 -3.014 157 HB2 PHE 19 HB2 PHE 19 -7.293 2.942 -0.831 158 HB3 PHE 19 HB3 PHE 19 -9.034 2.844 -0.736 159 HD1 PHE 19 HD2 PHE 19 -10.142 0.444 -0.599 160 HD2 PHE 19 HD1 PHE 19 -5.912 1.155 -0.003 161 HE1 PHE 19 HE2 PHE 19 -9.927 -1.725 0.485 162 HE2 PHE 19 HE1 PHE 19 -5.715 -1.085 1.031 163 HZ PHE 19 HZ PHE 19 -7.712 -2.517 1.319 164 H GLU 20 H GLU 20 -10.643 2.975 -2.568 165 HA GLU 20 HA GLU 20 -11.884 0.330 -2.808 166 HB2 GLU 20 HB2 GLU 20 -12.568 2.903 -1.718 167 HB3 GLU 20 HB3 GLU 20 -13.795 2.548 -2.894 168 HG2 GLU 20 HG2 GLU 20 -13.004 0.459 -0.840 169 HG3 GLU 20 HG3 GLU 20 -14.077 1.782 -0.418 170 H ASP 21 H ASP 21 -10.333 1.534 -5.024 171 HA ASP 21 HA ASP 21 -12.238 1.280 -7.255 172 HB2 ASP 21 HB2 ASP 21 -12.066 3.730 -6.453 173 HB3 ASP 21 HB3 ASP 21 -10.379 3.691 -6.980 174 H CYS 22 H CYS 22 -9.495 0.147 -5.879 175 HA CYS 22 HA CYS 22 -7.735 0.350 -8.229 176 HB2 CYS 22 HB2 CYS 22 -6.072 -0.678 -6.875 177 HB3 CYS 22 HB3 CYS 22 -6.931 0.474 -5.828 178 HG CYS 22 HG CYS 22 -6.316 -1.647 -4.405 179 H LYS 23 H LYS 23 -6.729 -1.793 -8.879 180 HA LYS 23 HA LYS 23 -8.848 -3.841 -9.436 181 HB2 LYS 23 HB2 LYS 23 -6.458 -2.748 -10.895 182 HB3 LYS 23 HB3 LYS 23 -7.054 -4.333 -11.298 183 HG2 LYS 23 HG2 LYS 23 -7.916 -2.684 -12.858 184 HG3 LYS 23 HG3 LYS 23 -9.132 -3.585 -12.004 185 HD2 LYS 23 HD2 LYS 23 -9.726 -1.662 -10.622 186 HD3 LYS 23 HD3 LYS 23 -8.384 -0.744 -11.319 187 HE2 LYS 23 HE2 LYS 23 -10.230 -0.040 -12.578 188 HE3 LYS 23 HE3 LYS 23 -9.443 -1.228 -13.611 189 HZ1 LYS 23 HZ1 LYS 23 -11.774 -1.647 -13.596 190 HZ2 LYS 23 HZ2 LYS 23 -11.884 -1.576 -11.986 191 HZ3 LYS 23 HZ3 LYS 23 -11.147 -2.864 -12.679 192 H TYR 24 H TYR 24 -5.601 -3.222 -8.073 193 HA TYR 24 HA TYR 24 -5.823 -5.694 -6.694 194 HB2 TYR 24 HB2 TYR 24 -3.844 -6.828 -7.468 195 HB3 TYR 24 HB3 TYR 24 -4.894 -6.570 -8.832 196 HD1 TYR 24 HD1 TYR 24 -4.345 -4.954 -10.588 197 HD2 TYR 24 HD2 TYR 24 -1.622 -5.896 -7.387 198 HE1 TYR 24 HE1 TYR 24 -2.455 -4.142 -11.996 199 HE2 TYR 24 HE2 TYR 24 0.251 -5.125 -8.721 200 HH TYR 24 HH TYR 24 -0.047 -4.165 -12.136 201 H PHE 25 H PHE 25 -3.775 -6.033 -5.360 202 HA PHE 25 HA PHE 25 -2.481 -3.455 -4.649 203 HB2 PHE 25 HB2 PHE 25 -3.133 -5.789 -2.818 204 HB3 PHE 25 HB3 PHE 25 -2.230 -4.352 -2.383 205 HD1 PHE 25 HD1 PHE 25 -5.483 -5.696 -3.318 206 HD2 PHE 25 HD2 PHE 25 -3.364 -2.173 -2.119 207 HE1 PHE 25 HE1 PHE 25 -7.689 -4.540 -2.800 208 HE2 PHE 25 HE2 PHE 25 -5.528 -1.033 -1.628 209 HZ PHE 25 HZ PHE 25 -7.699 -2.280 -1.913 210 H LEU 26 H LEU 26 -0.373 -3.492 -4.954 211 HA LEU 26 HA LEU 26 1.002 -6.018 -5.577 212 HB2 LEU 26 HB2 LEU 26 1.335 -3.793 -6.853 213 HB3 LEU 26 HB3 LEU 26 2.183 -3.220 -5.431 214 HG LEU 26 HG LEU 26 3.731 -3.949 -7.080 215 HD11 LEU 26 HD11 LEU 26 4.095 -4.553 -4.636 216 HD12 LEU 26 HD12 LEU 26 5.123 -5.269 -5.863 217 HD13 LEU 26 HD13 LEU 26 3.824 -6.244 -5.139 218 HD21 LEU 26 HD21 LEU 26 2.512 -5.377 -8.510 219 HD22 LEU 26 HD22 LEU 26 2.150 -6.539 -7.243 220 HD23 LEU 26 HD23 LEU 26 3.797 -6.394 -7.842 221 H ILE 27 H ILE 27 1.696 -7.210 -3.762 222 HA ILE 27 HA ILE 27 2.220 -5.747 -1.269 223 HB ILE 27 HB ILE 27 2.479 -8.713 -1.610 224 HG12 ILE 27 HG12 ILE 27 0.143 -8.209 -1.859 225 HG13 ILE 27 HG13 ILE 27 0.434 -8.880 -0.257 226 HG21 ILE 27 HG21 ILE 27 3.920 -7.912 0.127 227 HG22 ILE 27 HG22 ILE 27 2.628 -6.913 0.821 228 HG23 ILE 27 HG23 ILE 27 2.512 -8.679 0.868 229 HD11 ILE 27 HD11 ILE 27 -0.054 -5.960 -0.933 230 HD12 ILE 27 HD12 ILE 27 -1.153 -7.046 -0.090 231 HD13 ILE 27 HD13 ILE 27 0.345 -6.555 0.703 232 H VAL 28 H VAL 28 4.045 -4.639 -1.386 233 HA VAL 28 HA VAL 28 6.415 -5.588 -2.843 234 HB VAL 28 HB VAL 28 6.082 -3.196 -0.959 235 HG11 VAL 28 HG11 VAL 28 8.117 -3.741 -3.181 236 HG12 VAL 28 HG12 VAL 28 8.018 -2.269 -2.211 237 HG13 VAL 28 HG13 VAL 28 8.481 -3.795 -1.441 238 HG21 VAL 28 HG21 VAL 28 5.896 -1.841 -3.007 239 HG22 VAL 28 HG22 VAL 28 5.842 -3.297 -3.996 240 HG23 VAL 28 HG23 VAL 28 4.520 -2.941 -2.848 241 H ARG 29 H ARG 29 8.351 -6.303 -1.810 242 HA ARG 29 HA ARG 29 8.213 -6.884 1.127 243 HB2 ARG 29 HB2 ARG 29 8.057 -8.919 -0.539 244 HB3 ARG 29 HB3 ARG 29 9.692 -8.509 -1.022 245 HG2 ARG 29 HG2 ARG 29 10.138 -8.700 1.640 246 HG3 ARG 29 HG3 ARG 29 8.692 -9.705 1.534 247 HD2 ARG 29 HD2 ARG 29 9.818 -11.042 -0.297 248 HD3 ARG 29 HD3 ARG 29 11.287 -10.115 0.047 249 HE ARG 29 HE ARG 29 11.345 -10.932 2.281 250 HH11 ARG 29 HH11 ARG 29 9.513 -12.956 -0.028 251 HH12 ARG 29 HH12 ARG 29 9.898 -14.407 0.799 252 HH21 ARG 29 HH21 ARG 29 11.741 -12.770 3.352 253 HH22 ARG 29 HH22 ARG 29 11.128 -14.309 2.877 254 H ILE 30 H ILE 30 9.741 -5.520 2.089 255 HA ILE 30 HA ILE 30 12.302 -5.145 0.657 256 HB ILE 30 HB ILE 30 10.988 -3.075 2.457 257 HG12 ILE 30 HG12 ILE 30 11.825 -1.781 0.168 258 HG13 ILE 30 HG13 ILE 30 11.247 -3.305 -0.486 259 HG21 ILE 30 HG21 ILE 30 13.766 -3.157 1.362 260 HG22 ILE 30 HG22 ILE 30 13.000 -1.744 2.128 261 HG23 ILE 30 HG23 ILE 30 13.286 -3.208 3.072 262 HD11 ILE 30 HD11 ILE 30 9.471 -1.600 -0.431 263 HD12 ILE 30 HD12 ILE 30 9.058 -2.923 0.688 264 HD13 ILE 30 HD13 ILE 30 9.684 -1.378 1.306 265 H ASP 31 H ASP 31 13.862 -6.148 1.673 266 HA ASP 31 HA ASP 31 13.580 -6.826 4.556 267 HB2 ASP 31 HB2 ASP 31 14.192 -8.640 2.266 268 HB3 ASP 31 HB3 ASP 31 15.023 -8.923 3.759 269 H ASP 32 H ASP 32 15.291 -5.132 2.303 270 HA ASP 32 HA ASP 32 17.532 -4.812 3.996 271 HB2 ASP 32 HB2 ASP 32 17.967 -7.035 2.627 272 HB3 ASP 32 HB3 ASP 32 18.264 -5.985 1.277 273 H ASN 33 H ASN 33 15.889 -3.043 3.465 274 HA ASN 33 HA ASN 33 15.189 -1.116 2.516 275 HB2 ASN 33 HB2 ASN 33 17.749 -0.807 3.285 276 HB3 ASN 33 HB3 ASN 33 17.910 -0.325 1.607 277 HD21 ASN 33 HD21 ASN 33 15.563 0.121 4.374 278 HD22 ASN 33 HD22 ASN 33 15.414 1.830 4.147 279 H GLU 34 H GLU 34 16.076 -3.414 0.293 280 HA GLU 34 HA GLU 34 15.435 -1.841 -2.106 281 HB2 GLU 34 HB2 GLU 34 17.629 -2.807 -2.157 282 HB3 GLU 34 HB3 GLU 34 17.048 -4.294 -1.395 283 HG2 GLU 34 HG2 GLU 34 15.881 -4.977 -3.328 284 HG3 GLU 34 HG3 GLU 34 16.292 -3.475 -4.205 285 H VAL 35 H VAL 35 14.103 -2.961 -3.596 286 HA VAL 35 HA VAL 35 11.887 -4.500 -2.446 287 HB VAL 35 HB VAL 35 11.360 -2.882 -4.143 288 HG11 VAL 35 HG11 VAL 35 12.692 -4.561 -6.300 289 HG12 VAL 35 HG12 VAL 35 11.947 -2.969 -6.428 290 HG13 VAL 35 HG13 VAL 35 13.488 -3.157 -5.584 291 HG21 VAL 35 HG21 VAL 35 9.974 -4.927 -3.839 292 HG22 VAL 35 HG22 VAL 35 9.888 -4.261 -5.486 293 HG23 VAL 35 HG23 VAL 35 10.863 -5.707 -5.170 294 H LYS 36 H LYS 36 12.443 -6.470 -1.784 295 HA LYS 36 HA LYS 36 14.357 -8.150 -3.272 296 HB2 LYS 36 HB2 LYS 36 12.312 -8.842 -1.152 297 HB3 LYS 36 HB3 LYS 36 13.539 -9.944 -1.771 298 HG2 LYS 36 HG2 LYS 36 13.947 -7.421 -0.104 299 HG3 LYS 36 HG3 LYS 36 14.206 -9.141 0.320 300 HD2 LYS 36 HD2 LYS 36 16.306 -9.130 -0.380 301 HD3 LYS 36 HD3 LYS 36 15.854 -8.541 -1.939 302 HE2 LYS 36 HE2 LYS 36 15.856 -6.188 -1.049 303 HE3 LYS 36 HE3 LYS 36 16.432 -6.833 0.508 304 HZ1 LYS 36 HZ1 LYS 36 18.356 -7.712 -0.735 305 HZ2 LYS 36 HZ2 LYS 36 18.301 -6.096 -0.805 306 HZ3 LYS 36 HZ3 LYS 36 17.852 -6.928 -2.120 307 H SER 37 H SER 37 10.741 -7.935 -3.014 308 HA SER 37 HA SER 37 10.413 -9.392 -5.522 309 HB2 SER 37 HB2 SER 37 9.714 -10.583 -2.798 310 HB3 SER 37 HB3 SER 37 9.038 -11.178 -4.312 311 HG SER 37 HG SER 37 11.815 -10.930 -4.291 312 H THR 38 H THR 38 8.099 -9.660 -6.014 313 HA THR 38 HA THR 38 6.316 -7.640 -4.786 314 HB THR 38 HB THR 38 5.759 -7.065 -7.211 315 HG1 THR 38 HG1 THR 38 6.769 -8.613 -8.389 316 HG21 THR 38 HG21 THR 38 8.624 -6.387 -6.440 317 HG22 THR 38 HG22 THR 38 7.217 -5.680 -5.627 318 HG23 THR 38 HG23 THR 38 7.452 -5.408 -7.351 319 H LYS 39 H LYS 39 4.330 -8.445 -4.371 320 HA LYS 39 HA LYS 39 3.366 -10.892 -5.798 321 HB2 LYS 39 HB2 LYS 39 3.283 -9.943 -2.946 322 HB3 LYS 39 HB3 LYS 39 1.797 -10.660 -3.525 323 HG2 LYS 39 HG2 LYS 39 2.887 -12.250 -2.317 324 HG3 LYS 39 HG3 LYS 39 3.090 -12.762 -3.994 325 HD2 LYS 39 HD2 LYS 39 5.255 -11.021 -2.862 326 HD3 LYS 39 HD3 LYS 39 5.109 -12.599 -2.096 327 HE2 LYS 39 HE2 LYS 39 5.227 -12.273 -5.119 328 HE3 LYS 39 HE3 LYS 39 6.685 -12.487 -4.148 329 HZ1 LYS 39 HZ1 LYS 39 6.106 -14.618 -3.598 330 HZ2 LYS 39 HZ2 LYS 39 5.548 -14.520 -5.145 331 HZ3 LYS 39 HZ3 LYS 39 4.499 -14.426 -3.913 332 H VAL 40 H VAL 40 0.933 -10.969 -5.919 333 HA VAL 40 HA VAL 40 -0.268 -8.254 -6.223 334 HB VAL 40 HB VAL 40 -0.170 -10.559 -8.189 335 HG11 VAL 40 HG11 VAL 40 -2.505 -9.887 -8.171 336 HG12 VAL 40 HG12 VAL 40 -2.048 -8.173 -8.271 337 HG13 VAL 40 HG13 VAL 40 -1.734 -9.268 -9.627 338 HG21 VAL 40 HG21 VAL 40 0.618 -8.812 -9.751 339 HG22 VAL 40 HG22 VAL 40 0.478 -7.594 -8.475 340 HG23 VAL 40 HG23 VAL 40 1.676 -8.902 -8.344 341 H ILE 41 H ILE 41 -2.190 -8.132 -5.226 342 HA ILE 41 HA ILE 41 -3.831 -10.586 -4.772 343 HB ILE 41 HB ILE 41 -3.620 -8.061 -3.066 344 HG12 ILE 41 HG12 ILE 41 -2.705 -10.887 -2.404 345 HG13 ILE 41 HG13 ILE 41 -1.661 -9.487 -2.688 346 HG21 ILE 41 HG21 ILE 41 -5.917 -9.199 -3.225 347 HG22 ILE 41 HG22 ILE 41 -5.174 -10.597 -2.435 348 HG23 ILE 41 HG23 ILE 41 -5.257 -9.024 -1.610 349 HD11 ILE 41 HD11 ILE 41 -2.859 -8.346 -0.743 350 HD12 ILE 41 HD12 ILE 41 -3.549 -9.933 -0.347 351 HD13 ILE 41 HD13 ILE 41 -1.797 -9.719 -0.317 352 H PHE 42 H PHE 42 -5.275 -10.427 -6.499 353 HA PHE 42 HA PHE 42 -6.107 -8.004 -7.720 354 HB2 PHE 42 HB2 PHE 42 -7.551 -10.686 -7.517 355 HB3 PHE 42 HB3 PHE 42 -7.972 -9.394 -8.622 356 HD1 PHE 42 HD2 PHE 42 -5.368 -8.491 -9.639 357 HD2 PHE 42 HD1 PHE 42 -6.848 -12.472 -8.938 358 HE1 PHE 42 HE2 PHE 42 -3.746 -9.364 -11.285 359 HE2 PHE 42 HE1 PHE 42 -5.316 -13.343 -10.685 360 HZ PHE 42 HZ PHE 42 -3.717 -11.806 -11.827 361 H ASN 43 H ASN 43 -7.814 -6.686 -7.427 362 HA ASN 43 HA ASN 43 -8.735 -6.477 -4.626 363 HB2 ASN 43 HB2 ASN 43 -7.871 -4.472 -5.716 364 HB3 ASN 43 HB3 ASN 43 -9.161 -4.560 -6.935 365 HD21 ASN 43 HD21 ASN 43 -10.410 -2.707 -6.386 366 HD22 ASN 43 HD22 ASN 43 -11.190 -2.514 -4.832 367 H ASP 44 H ASP 44 -9.971 -8.516 -4.915 368 HA ASP 44 HA ASP 44 -12.778 -7.736 -5.199 369 HB2 ASP 44 HB2 ASP 44 -11.548 -9.909 -6.906 370 HB3 ASP 44 HB3 ASP 44 -13.229 -10.002 -6.379 371 H GLU 45 H GLU 45 -12.438 -7.743 -2.965 372 HA GLU 45 HA GLU 45 -13.327 -8.452 -1.085 373 HB2 GLU 45 HB2 GLU 45 -14.931 -9.169 -2.915 374 HB3 GLU 45 HB3 GLU 45 -14.311 -10.817 -2.741 375 HG2 GLU 45 HG2 GLU 45 -16.133 -10.904 -1.373 376 HG3 GLU 45 HG3 GLU 45 -14.914 -10.452 -0.186 377 H SER 46 H SER 46 -12.450 -11.647 -2.405 378 HA SER 46 HA SER 46 -11.349 -12.798 0.019 379 HB2 SER 46 HB2 SER 46 -12.086 -14.220 -1.797 380 HB3 SER 46 HB3 SER 46 -11.084 -13.361 -2.961 381 HG SER 46 HG SER 46 -10.005 -14.894 -0.800 382 H GLY 47 H GLY 47 -10.134 -10.734 -2.619 383 HA2 GLY 47 HA2 GLY 47 -7.396 -10.760 -2.004 384 HA3 GLY 47 HA3 GLY 47 -8.280 -9.438 -2.761 385 H LYS 48 H LYS 48 -9.864 -8.314 -0.941 386 HA LYS 48 HA LYS 48 -8.127 -6.920 0.840 387 HB2 LYS 48 HB2 LYS 48 -11.136 -7.236 0.573 388 HB3 LYS 48 HB3 LYS 48 -10.456 -6.413 1.979 389 HG2 LYS 48 HG2 LYS 48 -9.463 -4.674 0.617 390 HG3 LYS 48 HG3 LYS 48 -9.849 -5.512 -0.879 391 HD2 LYS 48 HD2 LYS 48 -11.562 -3.825 -0.555 392 HD3 LYS 48 HD3 LYS 48 -12.289 -5.399 -0.267 393 HE2 LYS 48 HE2 LYS 48 -11.518 -4.783 2.283 394 HE3 LYS 48 HE3 LYS 48 -11.708 -3.146 1.639 395 HZ1 LYS 48 HZ1 LYS 48 -13.753 -4.064 2.638 396 HZ2 LYS 48 HZ2 LYS 48 -13.762 -5.290 1.540 397 HZ3 LYS 48 HZ3 LYS 48 -13.958 -3.741 1.038 398 H LYS 49 H LYS 49 -10.293 -9.757 1.394 399 HA LYS 49 HA LYS 49 -9.845 -9.922 4.186 400 HB2 LYS 49 HB2 LYS 49 -10.627 -11.863 2.023 401 HB3 LYS 49 HB3 LYS 49 -9.991 -12.554 3.519 402 HG2 LYS 49 HG2 LYS 49 -11.612 -11.290 4.856 403 HG3 LYS 49 HG3 LYS 49 -12.305 -10.579 3.390 404 HD2 LYS 49 HD2 LYS 49 -12.190 -13.559 3.999 405 HD3 LYS 49 HD3 LYS 49 -13.580 -12.517 4.371 406 HE2 LYS 49 HE2 LYS 49 -13.735 -11.955 1.923 407 HE3 LYS 49 HE3 LYS 49 -12.437 -13.126 1.625 408 HZ1 LYS 49 HZ1 LYS 49 -14.483 -14.217 1.262 409 HZ2 LYS 49 HZ2 LYS 49 -15.136 -13.681 2.642 410 HZ3 LYS 49 HZ3 LYS 49 -13.929 -14.810 2.697 411 H SER 50 H SER 50 -7.853 -11.212 1.472 412 HA SER 50 HA SER 50 -5.944 -12.459 3.163 413 HB2 SER 50 HB2 SER 50 -5.579 -11.367 0.339 414 HB3 SER 50 HB3 SER 50 -4.555 -12.552 1.170 415 HG SER 50 HG SER 50 -7.235 -12.815 0.272 416 H ILE 51 H ILE 51 -6.139 -9.054 2.012 417 HA ILE 51 HA ILE 51 -3.620 -8.224 3.075 418 HB ILE 51 HB ILE 51 -6.198 -6.600 2.873 419 HG12 ILE 51 HG12 ILE 51 -3.944 -6.961 0.851 420 HG13 ILE 51 HG13 ILE 51 -5.579 -7.601 0.698 421 HG21 ILE 51 HG21 ILE 51 -3.364 -5.537 2.804 422 HG22 ILE 51 HG22 ILE 51 -4.877 -4.621 2.902 423 HG23 ILE 51 HG23 ILE 51 -4.339 -5.561 4.287 424 HD11 ILE 51 HD11 ILE 51 -4.734 -4.701 0.565 425 HD12 ILE 51 HD12 ILE 51 -5.534 -5.719 -0.642 426 HD13 ILE 51 HD13 ILE 51 -6.434 -5.203 0.790 427 H VAL 52 H VAL 52 -6.900 -8.358 4.608 428 HA VAL 52 HA VAL 52 -6.071 -7.397 7.158 429 HB VAL 52 HB VAL 52 -8.373 -9.254 6.404 430 HG11 VAL 52 HG11 VAL 52 -7.949 -7.630 8.933 431 HG12 VAL 52 HG12 VAL 52 -9.416 -8.557 8.522 432 HG13 VAL 52 HG13 VAL 52 -7.887 -9.393 8.824 433 HG21 VAL 52 HG21 VAL 52 -8.532 -7.040 5.313 434 HG22 VAL 52 HG22 VAL 52 -9.754 -7.217 6.565 435 HG23 VAL 52 HG23 VAL 52 -8.301 -6.244 6.884 436 H LYS 53 H LYS 53 -6.030 -10.728 5.765 437 HA LYS 53 HA LYS 53 -5.127 -11.848 8.299 438 HB2 LYS 53 HB2 LYS 53 -5.346 -12.941 5.467 439 HB3 LYS 53 HB3 LYS 53 -4.446 -13.802 6.705 440 HG2 LYS 53 HG2 LYS 53 -6.463 -14.803 6.920 441 HG3 LYS 53 HG3 LYS 53 -6.553 -13.598 8.197 442 HD2 LYS 53 HD2 LYS 53 -7.933 -12.161 6.719 443 HD3 LYS 53 HD3 LYS 53 -7.816 -13.373 5.427 444 HE2 LYS 53 HE2 LYS 53 -9.218 -13.609 8.118 445 HE3 LYS 53 HE3 LYS 53 -9.963 -13.549 6.524 446 HZ1 LYS 53 HZ1 LYS 53 -9.958 -15.810 7.121 447 HZ2 LYS 53 HZ2 LYS 53 -8.447 -15.755 7.735 448 HZ3 LYS 53 HZ3 LYS 53 -8.656 -15.711 6.113 449 H GLU 54 H GLU 54 -3.401 -10.028 5.821 450 HA GLU 54 HA GLU 54 -0.970 -11.522 6.258 451 HB2 GLU 54 HB2 GLU 54 -1.929 -9.965 4.148 452 HB3 GLU 54 HB3 GLU 54 -0.766 -8.890 4.905 453 HG2 GLU 54 HG2 GLU 54 0.819 -10.979 4.906 454 HG3 GLU 54 HG3 GLU 54 -0.363 -11.718 3.826 455 H ASN 55 H ASN 55 1.006 -9.699 6.363 456 HA ASN 55 HA ASN 55 0.732 -8.346 9.006 457 HB2 ASN 55 HB2 ASN 55 2.150 -10.399 9.039 458 HB3 ASN 55 HB3 ASN 55 3.145 -9.711 7.750 459 HD21 ASN 55 HD21 ASN 55 1.842 -8.126 10.841 460 HD22 ASN 55 HD22 ASN 55 3.433 -7.822 11.439 461 H VAL 56 H VAL 56 -0.080 -7.030 6.607 462 HA VAL 56 HA VAL 56 2.130 -5.565 5.477 463 HB VAL 56 HB VAL 56 -0.541 -4.240 5.630 464 HG11 VAL 56 HG11 VAL 56 -0.016 -3.503 3.409 465 HG12 VAL 56 HG12 VAL 56 1.377 -3.218 4.448 466 HG13 VAL 56 HG13 VAL 56 1.387 -4.589 3.322 467 HG21 VAL 56 HG21 VAL 56 -1.315 -6.486 5.034 468 HG22 VAL 56 HG22 VAL 56 -1.301 -5.462 3.591 469 HG23 VAL 56 HG23 VAL 56 -0.004 -6.641 3.828 470 H ASN 57 H ASN 57 3.042 -3.631 6.013 471 HA ASN 57 HA ASN 57 2.644 -2.668 8.771 472 HB2 ASN 57 HB2 ASN 57 4.916 -3.087 7.305 473 HB3 ASN 57 HB3 ASN 57 4.608 -1.414 6.886 474 HD21 ASN 57 HD21 ASN 57 5.796 -3.592 9.233 475 HD22 ASN 57 HD22 ASN 57 6.078 -2.467 10.542 476 H ALA 58 H ALA 58 2.298 -1.663 5.343 477 HA ALA 58 HA ALA 58 0.752 0.697 6.142 478 HB1 ALA 58 HB1 ALA 58 3.301 0.800 4.471 479 HB2 ALA 58 HB2 ALA 58 2.151 2.132 4.652 480 HB3 ALA 58 HB3 ALA 58 3.041 1.538 6.067 481 H ILE 59 H ILE 59 -0.659 1.423 4.474 482 HA ILE 59 HA ILE 59 -0.601 -0.027 1.868 483 HB ILE 59 HB ILE 59 -2.796 1.422 3.417 484 HG12 ILE 59 HG12 ILE 59 -2.671 -1.442 2.392 485 HG13 ILE 59 HG13 ILE 59 -2.105 -1.015 3.985 486 HG21 ILE 59 HG21 ILE 59 -3.057 1.964 1.019 487 HG22 ILE 59 HG22 ILE 59 -2.919 0.245 0.590 488 HG23 ILE 59 HG23 ILE 59 -4.300 0.837 1.528 489 HD11 ILE 59 HD11 ILE 59 -4.966 -0.685 3.059 490 HD12 ILE 59 HD12 ILE 59 -4.331 -1.952 4.115 491 HD13 ILE 59 HD13 ILE 59 -4.319 -0.262 4.664 492 H ILE 60 H ILE 60 -0.329 1.307 0.019 493 HA ILE 60 HA ILE 60 -0.051 4.234 0.458 494 HB ILE 60 HB ILE 60 1.541 2.623 -1.589 495 HG12 ILE 60 HG12 ILE 60 2.438 3.866 1.044 496 HG13 ILE 60 HG13 ILE 60 2.337 2.164 0.722 497 HG21 ILE 60 HG21 ILE 60 0.945 4.960 -2.230 498 HG22 ILE 60 HG22 ILE 60 1.703 5.561 -0.741 499 HG23 ILE 60 HG23 ILE 60 2.672 4.774 -2.003 500 HD11 ILE 60 HD11 ILE 60 4.059 2.425 -1.117 501 HD12 ILE 60 HD12 ILE 60 4.292 4.099 -0.561 502 HD13 ILE 60 HD13 ILE 60 4.640 2.757 0.531 503 H CYS 61 H CYS 61 -1.441 5.372 -0.765 504 HA CYS 61 HA CYS 61 -2.680 4.343 -3.156 505 HB2 CYS 61 HB2 CYS 61 -5.002 4.592 -2.195 506 HB3 CYS 61 HB3 CYS 61 -4.149 3.192 -1.662 507 HG CYS 61 HG CYS 61 -3.982 6.020 0.028 508 H LYS 62 H LYS 62 -4.404 6.099 -3.780 509 HA LYS 62 HA LYS 62 -3.343 8.823 -3.107 510 HB2 LYS 62 HB2 LYS 62 -4.801 7.641 -5.497 511 HB3 LYS 62 HB3 LYS 62 -4.655 9.395 -5.227 512 HG2 LYS 62 HG2 LYS 62 -2.183 9.091 -5.109 513 HG3 LYS 62 HG3 LYS 62 -2.376 7.384 -5.578 514 HD2 LYS 62 HD2 LYS 62 -3.071 7.879 -7.748 515 HD3 LYS 62 HD3 LYS 62 -3.719 9.460 -7.319 516 HE2 LYS 62 HE2 LYS 62 -0.753 8.751 -7.449 517 HE3 LYS 62 HE3 LYS 62 -1.675 9.646 -8.669 518 HZ1 LYS 62 HZ1 LYS 62 -0.615 11.264 -7.356 519 HZ2 LYS 62 HZ2 LYS 62 -1.026 10.563 -5.928 520 HZ3 LYS 62 HZ3 LYS 62 -2.149 11.302 -6.862 521 H ASN 63 H ASN 63 -6.193 6.742 -2.792 522 HA ASN 63 HA ASN 63 -7.512 8.893 -1.331 523 HB2 ASN 63 HB2 ASN 63 -8.503 7.952 -4.015 524 HB3 ASN 63 HB3 ASN 63 -9.690 8.292 -2.808 525 HD21 ASN 63 HD21 ASN 63 -7.590 9.625 -5.207 526 HD22 ASN 63 HD22 ASN 63 -7.509 11.269 -4.635 527 H ILE 64 H ILE 64 -9.405 8.000 -0.257 528 HA ILE 64 HA ILE 64 -9.763 5.128 -0.126 529 HB ILE 64 HB ILE 64 -7.576 5.478 1.026 530 HG12 ILE 64 HG12 ILE 64 -9.861 4.323 2.657 531 HG13 ILE 64 HG13 ILE 64 -8.814 3.530 1.479 532 HG21 ILE 64 HG21 ILE 64 -9.037 6.900 3.233 533 HG22 ILE 64 HG22 ILE 64 -7.285 6.620 3.082 534 HG23 ILE 64 HG23 ILE 64 -8.088 7.747 1.991 535 HD11 ILE 64 HD11 ILE 64 -6.849 3.957 2.882 536 HD12 ILE 64 HD12 ILE 64 -7.880 4.690 4.125 537 HD13 ILE 64 HD13 ILE 64 -8.089 2.995 3.726 538 H SER 65 H SER 65 -11.719 4.724 0.925 539 HA SER 65 HA SER 65 -13.260 7.174 1.730 540 HB2 SER 65 HB2 SER 65 -14.158 4.436 0.811 541 HB3 SER 65 HB3 SER 65 -15.212 5.459 1.814 542 HG SER 65 HG SER 65 -15.632 6.108 -0.197 543 H GLU 66 H GLU 66 -14.682 6.808 3.697 544 HA GLU 66 HA GLU 66 -12.974 6.796 5.893 545 HB2 GLU 66 HB2 GLU 66 -15.396 7.756 5.435 546 HB3 GLU 66 HB3 GLU 66 -15.947 6.218 6.052 547 HG2 GLU 66 HG2 GLU 66 -15.947 7.233 8.058 548 HG3 GLU 66 HG3 GLU 66 -14.240 6.835 8.070 549 H GLU 67 H GLU 67 -14.916 4.145 4.511 550 HA GLU 67 HA GLU 67 -14.994 2.650 6.949 551 HB2 GLU 67 HB2 GLU 67 -16.617 2.651 4.834 552 HB3 GLU 67 HB3 GLU 67 -15.462 1.461 4.197 553 HG2 GLU 67 HG2 GLU 67 -15.669 0.428 6.671 554 HG3 GLU 67 HG3 GLU 67 -17.163 1.352 6.675 555 H ASN 68 H ASN 68 -13.265 2.477 3.900 556 HA ASN 68 HA ASN 68 -11.560 0.254 4.461 557 HB2 ASN 68 HB2 ASN 68 -10.183 1.454 2.562 558 HB3 ASN 68 HB3 ASN 68 -11.677 0.620 2.280 559 HD21 ASN 68 HD21 ASN 68 -10.499 2.294 0.476 560 HD22 ASN 68 HD22 ASN 68 -11.969 3.156 -0.006 561 H TYR 69 H TYR 69 -11.189 3.809 4.867 562 HA TYR 69 HA TYR 69 -8.615 3.734 5.988 563 HB2 TYR 69 HB2 TYR 69 -9.864 5.760 5.264 564 HB3 TYR 69 HB3 TYR 69 -10.881 5.624 6.676 565 HD1 TYR 69 HD2 TYR 69 -9.899 5.882 8.993 566 HD2 TYR 69 HD1 TYR 69 -7.612 6.609 5.393 567 HE1 TYR 69 HE2 TYR 69 -8.104 6.860 10.337 568 HE2 TYR 69 HE1 TYR 69 -5.833 7.640 6.724 569 HH TYR 69 HH TYR 69 -5.851 7.529 10.268 570 H LYS 70 H LYS 70 -11.708 3.786 7.818 571 HA LYS 70 HA LYS 70 -10.486 3.434 10.360 572 HB2 LYS 70 HB2 LYS 70 -13.308 2.952 9.310 573 HB3 LYS 70 HB3 LYS 70 -12.873 2.655 10.987 574 HG2 LYS 70 HG2 LYS 70 -11.999 5.010 11.162 575 HG3 LYS 70 HG3 LYS 70 -12.684 5.342 9.562 576 HD2 LYS 70 HD2 LYS 70 -14.247 4.273 11.950 577 HD3 LYS 70 HD3 LYS 70 -14.139 5.981 11.513 578 HE2 LYS 70 HE2 LYS 70 -15.206 5.547 9.349 579 HE3 LYS 70 HE3 LYS 70 -15.287 3.809 9.708 580 HZ1 LYS 70 HZ1 LYS 70 -17.345 4.986 10.149 581 HZ2 LYS 70 HZ2 LYS 70 -16.645 5.920 11.291 582 HZ3 LYS 70 HZ3 LYS 70 -16.753 4.295 11.537 583 H LYS 71 H LYS 71 -11.562 1.020 7.999 584 HA LYS 71 HA LYS 71 -11.412 -1.304 9.648 585 HB2 LYS 71 HB2 LYS 71 -12.493 -1.315 7.566 586 HB3 LYS 71 HB3 LYS 71 -11.024 -0.855 6.692 587 HG2 LYS 71 HG2 LYS 71 -11.505 -3.121 6.341 588 HG3 LYS 71 HG3 LYS 71 -10.008 -3.056 7.253 589 HD2 LYS 71 HD2 LYS 71 -12.675 -3.463 8.664 590 HD3 LYS 71 HD3 LYS 71 -11.910 -4.784 7.771 591 HE2 LYS 71 HE2 LYS 71 -9.837 -4.505 9.077 592 HE3 LYS 71 HE3 LYS 71 -10.618 -3.262 10.070 593 HZ1 LYS 71 HZ1 LYS 71 -10.561 -5.685 10.823 594 HZ2 LYS 71 HZ2 LYS 71 -11.854 -5.933 9.853 595 HZ3 LYS 71 HZ3 LYS 71 -11.933 -4.825 11.072 596 H PHE 72 H PHE 72 -8.969 0.067 7.349 597 HA PHE 72 HA PHE 72 -7.182 -2.029 8.276 598 HB2 PHE 72 HB2 PHE 72 -7.008 0.069 6.117 599 HB3 PHE 72 HB3 PHE 72 -5.630 -0.933 6.559 600 HD1 PHE 72 HD2 PHE 72 -5.863 -3.479 6.495 601 HD2 PHE 72 HD1 PHE 72 -8.859 -0.908 4.799 602 HE1 PHE 72 HE2 PHE 72 -6.685 -5.356 5.109 603 HE2 PHE 72 HE1 PHE 72 -9.705 -2.771 3.439 604 HZ PHE 72 HZ PHE 72 -8.609 -5.019 3.565 605 H SER 73 H SER 73 -7.408 1.463 8.916 606 HA SER 73 HA SER 73 -4.898 1.872 10.105 607 HB2 SER 73 HB2 SER 73 -6.070 3.715 11.314 608 HB3 SER 73 HB3 SER 73 -6.313 3.696 9.556 609 HG SER 73 HG SER 73 -8.313 3.081 9.772 610 H LYS 74 H LYS 74 -7.429 -0.172 11.297 611 HA LYS 74 HA LYS 74 -6.962 -0.184 14.052 612 HB2 LYS 74 HB2 LYS 74 -8.628 -1.535 12.672 613 HB3 LYS 74 HB3 LYS 74 -7.316 -2.675 12.329 614 HG2 LYS 74 HG2 LYS 74 -7.057 -3.020 14.833 615 HG3 LYS 74 HG3 LYS 74 -8.394 -1.886 15.070 616 HD2 LYS 74 HD2 LYS 74 -9.508 -3.904 15.190 617 HD3 LYS 74 HD3 LYS 74 -9.739 -3.479 13.498 618 HE2 LYS 74 HE2 LYS 74 -9.181 -5.761 13.489 619 HE3 LYS 74 HE3 LYS 74 -7.712 -4.937 12.964 620 HZ1 LYS 74 HZ1 LYS 74 -8.053 -6.647 15.137 621 HZ2 LYS 74 HZ2 LYS 74 -7.707 -5.178 15.771 622 HZ3 LYS 74 HZ3 LYS 74 -6.671 -5.874 14.689 623 H LYS 75 H LYS 75 -4.801 -1.347 11.464 624 HA LYS 75 HA LYS 75 -2.659 -1.340 13.416 625 HB2 LYS 75 HB2 LYS 75 -3.724 -3.970 12.433 626 HB3 LYS 75 HB3 LYS 75 -1.993 -3.773 12.288 627 HG2 LYS 75 HG2 LYS 75 -2.207 -2.873 14.811 628 HG3 LYS 75 HG3 LYS 75 -3.657 -3.887 14.781 629 HD2 LYS 75 HD2 LYS 75 -2.259 -5.831 14.105 630 HD3 LYS 75 HD3 LYS 75 -0.839 -4.768 14.024 631 HE2 LYS 75 HE2 LYS 75 -1.345 -4.134 16.452 632 HE3 LYS 75 HE3 LYS 75 -2.434 -5.518 16.509 633 HZ1 LYS 75 HZ1 LYS 75 -0.197 -6.003 17.303 634 HZ2 LYS 75 HZ2 LYS 75 0.462 -5.527 15.914 635 HZ3 LYS 75 HZ3 LYS 75 -0.453 -6.895 15.924 636 H ILE 76 H ILE 76 -3.632 -0.779 10.194 637 HA ILE 76 HA ILE 76 -0.842 -1.124 9.226 638 HB ILE 76 HB ILE 76 -3.342 -1.126 7.499 639 HG12 ILE 76 HG12 ILE 76 -1.946 -3.499 8.783 640 HG13 ILE 76 HG13 ILE 76 -3.623 -3.011 9.005 641 HG21 ILE 76 HG21 ILE 76 -1.786 -2.165 5.867 642 HG22 ILE 76 HG22 ILE 76 -1.157 -0.624 6.443 643 HG23 ILE 76 HG23 ILE 76 -0.495 -2.144 7.083 644 HD11 ILE 76 HD11 ILE 76 -3.712 -3.405 6.352 645 HD12 ILE 76 HD12 ILE 76 -2.391 -4.515 6.755 646 HD13 ILE 76 HD13 ILE 76 -3.965 -4.710 7.533 647 H GLU 77 H GLU 77 0.158 0.739 8.758 648 HA GLU 77 HA GLU 77 -1.198 3.272 9.076 649 HB2 GLU 77 HB2 GLU 77 1.554 2.570 7.965 650 HB3 GLU 77 HB3 GLU 77 0.931 4.225 8.219 651 HG2 GLU 77 HG2 GLU 77 0.542 3.537 10.664 652 HG3 GLU 77 HG3 GLU 77 1.497 2.104 10.327 653 H ILE 78 H ILE 78 -1.285 4.930 7.317 654 HA ILE 78 HA ILE 78 -1.828 3.759 4.640 655 HB ILE 78 HB ILE 78 -3.758 5.581 6.151 656 HG12 ILE 78 HG12 ILE 78 -3.966 2.570 5.635 657 HG13 ILE 78 HG13 ILE 78 -3.730 3.330 7.200 658 HG21 ILE 78 HG21 ILE 78 -3.710 5.794 3.667 659 HG22 ILE 78 HG22 ILE 78 -4.026 4.069 3.498 660 HG23 ILE 78 HG23 ILE 78 -5.242 5.160 4.230 661 HD11 ILE 78 HD11 ILE 78 -6.003 2.652 7.014 662 HD12 ILE 78 HD12 ILE 78 -5.907 4.423 7.088 663 HD13 ILE 78 HD13 ILE 78 -6.233 3.603 5.541 664 H TYR 79 H TYR 79 -0.942 4.996 3.072 665 HA TYR 79 HA TYR 79 -0.014 7.755 3.729 666 HB2 TYR 79 HB2 TYR 79 1.383 5.453 2.369 667 HB3 TYR 79 HB3 TYR 79 1.945 7.114 2.309 668 HD1 TYR 79 HD1 TYR 79 1.361 4.236 4.598 669 HD2 TYR 79 HD2 TYR 79 3.217 8.089 4.049 670 HE1 TYR 79 HE1 TYR 79 2.768 3.861 6.625 671 HE2 TYR 79 HE2 TYR 79 4.609 7.724 6.048 672 HH TYR 79 HH TYR 79 3.918 5.128 8.321 673 H HIS 80 H HIS 80 0.545 9.008 1.887 674 HA HIS 80 HA HIS 80 -1.474 8.736 -0.247 675 HB2 HIS 80 HB2 HIS 80 -1.363 10.703 1.447 676 HB3 HIS 80 HB3 HIS 80 0.035 11.232 0.560 677 HD1 HIS 80 HD1 HIS 80 -0.447 12.613 -1.610 678 HD2 HIS 80 HD2 HIS 80 -3.632 10.164 -0.351 679 HE1 HIS 80 HE1 HIS 80 -2.472 13.115 -3.158 680 H ALA 81 H ALA 81 -0.760 8.290 -2.228 681 HA ALA 81 HA ALA 81 2.086 8.321 -2.865 682 HB1 ALA 81 HB1 ALA 81 0.536 6.566 -3.750 683 HB2 ALA 81 HB2 ALA 81 -0.238 7.805 -4.756 684 HB3 ALA 81 HB3 ALA 81 1.466 7.400 -5.003 685 H GLU 82 H GLU 82 3.191 9.965 -3.861 686 HA GLU 82 HA GLU 82 2.021 12.583 -4.147 687 HB2 GLU 82 HB2 GLU 82 4.293 13.282 -4.549 688 HB3 GLU 82 HB3 GLU 82 4.347 12.039 -3.325 689 HG2 GLU 82 HG2 GLU 82 5.733 10.815 -4.575 690 HG3 GLU 82 HG3 GLU 82 4.608 10.720 -5.865 691 H GLY 83 H GLY 83 1.987 9.984 -6.171 692 HA2 GLY 83 HA2 GLY 83 1.179 11.108 -8.635 693 HA3 GLY 83 HA3 GLY 83 2.935 10.878 -8.564 694 H ASP 84 H ASP 84 1.656 9.396 -10.368 695 HA ASP 84 HA ASP 84 0.506 6.990 -9.156 696 HB2 ASP 84 HB2 ASP 84 0.842 7.779 -12.058 697 HB3 ASP 84 HB3 ASP 84 -0.191 6.489 -11.416 698 H ASP 85 H ASP 85 3.596 8.087 -9.858 699 HA ASP 85 HA ASP 85 4.751 5.875 -11.294 700 HB2 ASP 85 HB2 ASP 85 5.396 8.574 -10.309 701 HB3 ASP 85 HB3 ASP 85 6.634 7.505 -9.899 702 H VAL 86 H VAL 86 4.478 4.006 -10.072 703 HA VAL 86 HA VAL 86 4.637 3.676 -7.309 704 HB VAL 86 HB VAL 86 5.469 1.825 -9.580 705 HG11 VAL 86 HG11 VAL 86 5.334 -0.030 -7.968 706 HG12 VAL 86 HG12 VAL 86 6.694 1.046 -7.676 707 HG13 VAL 86 HG13 VAL 86 5.262 1.136 -6.621 708 HG21 VAL 86 HG21 VAL 86 3.012 1.845 -7.796 709 HG22 VAL 86 HG22 VAL 86 3.075 2.375 -9.504 710 HG23 VAL 86 HG23 VAL 86 3.388 0.685 -9.092 711 H ASP 87 H ASP 87 7.266 4.018 -9.647 712 HA ASP 87 HA ASP 87 9.298 2.920 -7.946 713 HB2 ASP 87 HB2 ASP 87 9.445 4.607 -10.474 714 HB3 ASP 87 HB3 ASP 87 10.880 4.033 -9.623 715 H LYS 88 H LYS 88 8.270 6.285 -8.666 716 HA LYS 88 HA LYS 88 10.220 7.528 -6.963 717 HB2 LYS 88 HB2 LYS 88 8.930 8.701 -8.704 718 HB3 LYS 88 HB3 LYS 88 7.429 8.394 -7.840 719 HG2 LYS 88 HG2 LYS 88 8.357 10.706 -7.598 720 HG3 LYS 88 HG3 LYS 88 8.029 9.900 -6.072 721 HD2 LYS 88 HD2 LYS 88 10.319 9.538 -5.619 722 HD3 LYS 88 HD3 LYS 88 10.803 9.783 -7.292 723 HE2 LYS 88 HE2 LYS 88 9.599 12.050 -5.663 724 HE3 LYS 88 HE3 LYS 88 11.314 11.617 -5.512 725 HZ1 LYS 88 HZ1 LYS 88 11.092 13.286 -7.108 726 HZ2 LYS 88 HZ2 LYS 88 9.966 12.475 -7.992 727 HZ3 LYS 88 HZ3 LYS 88 11.557 11.931 -7.884 728 H ASN 89 H ASN 89 6.904 6.321 -6.465 729 HA ASN 89 HA ASN 89 6.725 7.417 -3.813 730 HB2 ASN 89 HB2 ASN 89 5.075 5.567 -5.514 731 HB3 ASN 89 HB3 ASN 89 4.643 5.808 -3.813 732 HD21 ASN 89 HD21 ASN 89 4.901 7.377 -6.979 733 HD22 ASN 89 HD22 ASN 89 4.369 8.953 -6.511 734 H ILE 90 H ILE 90 7.824 4.266 -5.017 735 HA ILE 90 HA ILE 90 8.032 2.997 -2.422 736 HB ILE 90 HB ILE 90 9.254 2.553 -5.155 737 HG12 ILE 90 HG12 ILE 90 7.372 0.865 -3.428 738 HG13 ILE 90 HG13 ILE 90 6.925 1.825 -4.800 739 HG21 ILE 90 HG21 ILE 90 11.042 1.934 -3.533 740 HG22 ILE 90 HG22 ILE 90 9.897 0.899 -2.657 741 HG23 ILE 90 HG23 ILE 90 10.409 0.521 -4.321 742 HD11 ILE 90 HD11 ILE 90 7.013 -0.400 -5.546 743 HD12 ILE 90 HD12 ILE 90 8.438 0.417 -6.231 744 HD13 ILE 90 HD13 ILE 90 8.605 -0.676 -4.834 745 H SER 91 H SER 91 10.337 4.866 -4.514 746 HA SER 91 HA SER 91 12.419 4.605 -2.607 747 HB2 SER 91 HB2 SER 91 13.494 6.467 -3.950 748 HB3 SER 91 HB3 SER 91 13.144 4.938 -4.753 749 HG SER 91 HG SER 91 11.405 5.841 -5.787 750 H LEU 92 H LEU 92 9.895 7.078 -2.890 751 HA LEU 92 HA LEU 92 10.940 8.821 -0.792 752 HB2 LEU 92 HB2 LEU 92 8.177 8.358 -1.957 753 HB3 LEU 92 HB3 LEU 92 8.489 9.536 -0.686 754 HG LEU 92 HG LEU 92 10.006 9.631 -3.314 755 HD11 LEU 92 HD11 LEU 92 7.373 11.035 -2.652 756 HD12 LEU 92 HD12 LEU 92 7.589 9.708 -3.814 757 HD13 LEU 92 HD13 LEU 92 8.348 11.287 -4.095 758 HD21 LEU 92 HD21 LEU 92 10.358 11.966 -2.770 759 HD22 LEU 92 HD22 LEU 92 10.870 11.006 -1.381 760 HD23 LEU 92 HD23 LEU 92 9.307 11.856 -1.358 761 H PHE 93 H PHE 93 8.669 6.025 -0.853 762 HA PHE 93 HA PHE 93 7.803 6.155 1.788 763 HB2 PHE 93 HB2 PHE 93 6.680 4.740 0.232 764 HB3 PHE 93 HB3 PHE 93 8.135 3.844 -0.143 765 HD1 PHE 93 HD1 PHE 93 6.076 4.721 2.826 766 HD2 PHE 93 HD2 PHE 93 8.516 1.770 0.891 767 HE1 PHE 93 HE1 PHE 93 5.412 3.079 4.571 768 HE2 PHE 93 HE2 PHE 93 7.905 0.140 2.634 769 HZ PHE 93 HZ PHE 93 6.316 0.772 4.465 770 H ILE 94 H ILE 94 10.645 4.383 0.544 771 HA ILE 94 HA ILE 94 11.581 3.094 2.822 772 HB ILE 94 HB ILE 94 13.110 4.547 0.636 773 HG12 ILE 94 HG12 ILE 94 12.624 1.543 0.869 774 HG13 ILE 94 HG13 ILE 94 11.484 2.589 0.047 775 HG21 ILE 94 HG21 ILE 94 15.064 3.172 1.130 776 HG22 ILE 94 HG22 ILE 94 14.636 4.071 2.578 777 HG23 ILE 94 HG23 ILE 94 14.214 2.350 2.435 778 HD11 ILE 94 HD11 ILE 94 13.557 3.414 -1.321 779 HD12 ILE 94 HD12 ILE 94 14.298 1.929 -0.711 780 HD13 ILE 94 HD13 ILE 94 12.809 1.845 -1.681 781 H GLU 95 H GLU 95 12.290 6.465 1.834 782 HA GLU 95 HA GLU 95 13.604 7.141 4.339 783 HB2 GLU 95 HB2 GLU 95 12.888 8.483 1.724 784 HB3 GLU 95 HB3 GLU 95 13.361 9.486 3.071 785 HG2 GLU 95 HG2 GLU 95 15.195 7.179 2.773 786 HG3 GLU 95 HG3 GLU 95 15.058 8.114 1.296 787 H GLY 96 H GLY 96 10.291 6.860 3.563 788 HA2 GLY 96 HA2 GLY 96 8.505 7.349 4.880 789 HA3 GLY 96 HA3 GLY 96 9.576 8.139 6.049 790 H GLU 97 H GLU 97 9.898 9.209 2.785 791 HA GLU 97 HA GLU 97 9.181 11.912 3.488 792 HB2 GLU 97 HB2 GLU 97 10.230 10.417 1.077 793 HB3 GLU 97 HB3 GLU 97 9.650 12.061 0.853 794 HG2 GLU 97 HG2 GLU 97 11.723 11.330 2.956 795 HG3 GLU 97 HG3 GLU 97 12.142 11.715 1.288 796 H LEU 98 H LEU 98 7.342 9.281 2.270 797 HA LEU 98 HA LEU 98 5.274 10.941 0.936 798 HB2 LEU 98 HB2 LEU 98 5.216 8.058 1.898 799 HB3 LEU 98 HB3 LEU 98 3.870 8.869 1.101 800 HG LEU 98 HG LEU 98 6.581 8.252 -0.130 801 HD11 LEU 98 HD11 LEU 98 3.768 7.192 -0.615 802 HD12 LEU 98 HD12 LEU 98 5.194 6.307 -0.018 803 HD13 LEU 98 HD13 LEU 98 5.142 6.884 -1.681 804 HD21 LEU 98 HD21 LEU 98 5.621 9.123 -2.253 805 HD22 LEU 98 HD22 LEU 98 5.801 10.387 -1.059 806 HD23 LEU 98 HD23 LEU 98 4.191 9.704 -1.371 807 H SER 99 H SER 99 3.409 11.633 1.635 808 HA SER 99 HA SER 99 3.187 12.371 4.402 809 HB2 SER 99 HB2 SER 99 1.363 12.373 1.959 810 HB3 SER 99 HB3 SER 99 1.045 13.317 3.450 811 HG SER 99 HG SER 99 3.293 14.215 2.911 812 H LYS 100 H LYS 100 1.807 11.465 5.936 813 HA LYS 100 HA LYS 100 0.566 8.839 5.372 814 HB2 LYS 100 HB2 LYS 100 0.574 10.636 7.817 815 HB3 LYS 100 HB3 LYS 100 -0.383 9.151 7.698 816 HG2 LYS 100 HG2 LYS 100 1.677 7.846 7.204 817 HG3 LYS 100 HG3 LYS 100 2.642 9.319 7.332 818 HD2 LYS 100 HD2 LYS 100 2.909 8.325 9.432 819 HD3 LYS 100 HD3 LYS 100 1.686 9.581 9.691 820 HE2 LYS 100 HE2 LYS 100 -0.064 7.727 9.338 821 HE3 LYS 100 HE3 LYS 100 1.289 6.570 9.405 822 HZ1 LYS 100 HZ1 LYS 100 0.272 6.863 11.571 823 HZ2 LYS 100 HZ2 LYS 100 0.492 8.478 11.530 824 HZ3 LYS 100 HZ3 LYS 100 1.794 7.494 11.621 825 H ILE 101 H ILE 101 -1.732 8.551 5.451 826 HA ILE 101 HA ILE 101 -3.387 10.960 4.856 827 HB ILE 101 HB ILE 101 -4.148 8.007 4.756 828 HG12 ILE 101 HG12 ILE 101 -3.409 9.968 2.545 829 HG13 ILE 101 HG13 ILE 101 -2.575 8.482 2.971 830 HG21 ILE 101 HG21 ILE 101 -6.024 9.583 5.306 831 HG22 ILE 101 HG22 ILE 101 -5.655 10.497 3.831 832 HG23 ILE 101 HG23 ILE 101 -6.220 8.823 3.733 833 HD11 ILE 101 HD11 ILE 101 -4.637 7.196 2.243 834 HD12 ILE 101 HD12 ILE 101 -5.280 8.723 1.608 835 HD13 ILE 101 HD13 ILE 101 -3.767 8.061 0.961 836 H SER 102 H SER 102 -4.333 11.832 6.646 837 HA SER 102 HA SER 102 -4.844 10.078 8.998 838 HB2 SER 102 HB2 SER 102 -3.833 12.916 8.999 839 HB3 SER 102 HB3 SER 102 -4.297 11.989 10.435 840 HG SER 102 HG SER 102 -2.088 11.928 10.081 841 H ASN 103 H ASN 103 -6.113 12.507 6.780 842 HA ASN 103 HA ASN 103 -8.701 11.873 7.866 843 HB2 ASN 103 HB2 ASN 103 -7.646 14.282 8.624 844 HB3 ASN 103 HB3 ASN 103 -8.737 14.724 7.291 845 HD21 ASN 103 HD21 ASN 103 -8.595 12.369 10.008 846 HD22 ASN 103 HD22 ASN 103 -10.265 12.520 10.475 847 HA PRO 104 HA PRO 104 -8.330 11.408 3.318 848 HB2 PRO 104 HB2 PRO 104 -9.994 9.310 3.087 849 HB3 PRO 104 HB3 PRO 104 -8.414 9.133 3.907 850 HG2 PRO 104 HG2 PRO 104 -11.111 9.643 5.240 851 HG3 PRO 104 HG3 PRO 104 -9.969 8.280 5.540 852 HD2 PRO 104 HD2 PRO 104 -9.851 10.587 7.020 853 HD3 PRO 104 HD3 PRO 104 -8.374 9.712 6.547 Start of MODEL 4 1 H1 GLY -2 H GLY -2 21.785 0.562 10.532 2 HA2 GLY -2 HA2 GLY -2 18.909 0.910 11.195 3 HA3 GLY -2 HA3 GLY -2 19.915 2.130 10.378 4 H HIS -1 H HIS -1 17.480 0.223 9.656 5 HA HIS -1 HA HIS -1 17.728 0.047 6.995 6 HB2 HIS -1 HB2 HIS -1 17.897 -2.562 6.747 7 HB3 HIS -1 HB3 HIS -1 19.345 -1.600 6.813 8 HD1 HIS -1 HD1 HIS -1 17.472 -2.743 10.029 9 HD2 HIS -1 HD2 HIS -1 20.989 -3.352 7.777 10 HE1 HIS -1 HE1 HIS -1 19.073 -4.118 11.499 11 H MET 1 H MET 1 15.917 -1.360 6.123 12 HA MET 1 HA MET 1 13.823 -1.836 8.159 13 HB2 MET 1 HB2 MET 1 13.037 -0.042 6.634 14 HB3 MET 1 HB3 MET 1 13.295 -1.143 5.257 15 HG2 MET 1 HG2 MET 1 10.939 -1.170 6.029 16 HG3 MET 1 HG3 MET 1 11.699 -2.749 6.188 17 HE1 MET 1 HE1 MET 1 10.265 -3.883 7.640 18 HE2 MET 1 HE2 MET 1 9.786 -3.483 9.288 19 HE3 MET 1 HE3 MET 1 8.993 -2.665 7.928 20 H ILE 2 H ILE 2 13.382 -3.849 8.416 21 HA ILE 2 HA ILE 2 14.039 -5.856 6.306 22 HB ILE 2 HB ILE 2 14.049 -6.413 9.269 23 HG12 ILE 2 HG12 ILE 2 15.790 -4.719 9.043 24 HG13 ILE 2 HG13 ILE 2 16.441 -6.297 9.417 25 HG21 ILE 2 HG21 ILE 2 15.472 -8.355 8.467 26 HG22 ILE 2 HG22 ILE 2 13.798 -8.337 7.879 27 HG23 ILE 2 HG23 ILE 2 15.116 -7.831 6.809 28 HD11 ILE 2 HD11 ILE 2 17.848 -5.149 7.791 29 HD12 ILE 2 HD12 ILE 2 17.155 -6.594 7.061 30 HD13 ILE 2 HD13 ILE 2 16.495 -4.990 6.661 31 H ASN 3 H ASN 3 12.410 -7.213 5.788 32 HA ASN 3 HA ASN 3 10.390 -7.914 5.475 33 HB2 ASN 3 HB2 ASN 3 11.077 -9.403 7.342 34 HB3 ASN 3 HB3 ASN 3 10.237 -8.327 8.474 35 HD21 ASN 3 HD21 ASN 3 9.519 -9.784 5.188 36 HD22 ASN 3 HD22 ASN 3 7.930 -10.339 5.668 37 H MET 4 H MET 4 10.183 -5.405 5.090 38 HA MET 4 HA MET 4 7.857 -4.257 6.526 39 HB2 MET 4 HB2 MET 4 9.571 -2.919 5.003 40 HB3 MET 4 HB3 MET 4 8.578 -3.558 3.687 41 HG2 MET 4 HG2 MET 4 7.318 -1.722 3.971 42 HG3 MET 4 HG3 MET 4 6.624 -2.576 5.331 43 HE1 MET 4 HE1 MET 4 8.334 1.072 4.632 44 HE2 MET 4 HE2 MET 4 9.847 0.641 5.439 45 HE3 MET 4 HE3 MET 4 9.292 -0.313 4.047 46 H LYS 5 H LYS 5 5.712 -4.236 5.584 47 HA LYS 5 HA LYS 5 5.411 -5.483 2.951 48 HB2 LYS 5 HB2 LYS 5 3.841 -6.321 5.417 49 HB3 LYS 5 HB3 LYS 5 2.983 -6.050 3.935 50 HG2 LYS 5 HG2 LYS 5 4.388 -7.713 2.823 51 HG3 LYS 5 HG3 LYS 5 5.290 -7.967 4.330 52 HD2 LYS 5 HD2 LYS 5 3.548 -9.146 5.353 53 HD3 LYS 5 HD3 LYS 5 2.305 -8.123 4.625 54 HE2 LYS 5 HE2 LYS 5 2.004 -10.154 3.523 55 HE3 LYS 5 HE3 LYS 5 2.866 -9.037 2.443 56 HZ1 LYS 5 HZ1 LYS 5 4.030 -11.095 2.300 57 HZ2 LYS 5 HZ2 LYS 5 3.883 -11.384 3.916 58 HZ3 LYS 5 HZ3 LYS 5 4.944 -10.263 3.413 59 H VAL 6 H VAL 6 3.574 -4.362 1.762 60 HA VAL 6 HA VAL 6 2.266 -2.260 3.120 61 HB VAL 6 HB VAL 6 4.609 -1.322 2.268 62 HG11 VAL 6 HG11 VAL 6 3.744 -2.088 -0.408 63 HG12 VAL 6 HG12 VAL 6 5.055 -1.099 0.329 64 HG13 VAL 6 HG13 VAL 6 4.921 -2.840 0.766 65 HG21 VAL 6 HG21 VAL 6 3.918 0.444 1.181 66 HG22 VAL 6 HG22 VAL 6 2.746 -0.296 0.142 67 HG23 VAL 6 HG23 VAL 6 2.331 0.134 1.862 68 H ALA 7 H ALA 7 0.457 -1.616 1.544 69 HA ALA 7 HA ALA 7 0.315 -3.391 -0.864 70 HB1 ALA 7 HB1 ALA 7 -2.165 -3.149 -0.576 71 HB2 ALA 7 HB2 ALA 7 -1.429 -3.620 0.991 72 HB3 ALA 7 HB3 ALA 7 -1.901 -1.942 0.709 73 H ILE 8 H ILE 8 0.611 -2.248 -2.820 74 HA ILE 8 HA ILE 8 -0.002 0.666 -2.769 75 HB ILE 8 HB ILE 8 1.452 -0.995 -4.817 76 HG12 ILE 8 HG12 ILE 8 2.674 0.878 -2.789 77 HG13 ILE 8 HG13 ILE 8 2.761 -0.875 -2.688 78 HG21 ILE 8 HG21 ILE 8 0.287 1.098 -5.626 79 HG22 ILE 8 HG22 ILE 8 1.349 2.004 -4.521 80 HG23 ILE 8 HG23 ILE 8 2.013 1.076 -5.898 81 HD11 ILE 8 HD11 ILE 8 4.117 -1.052 -4.635 82 HD12 ILE 8 HD12 ILE 8 3.978 0.644 -5.073 83 HD13 ILE 8 HD13 ILE 8 4.824 0.204 -3.601 84 H SER 9 H SER 9 -2.149 0.932 -3.279 85 HA SER 9 HA SER 9 -3.733 -0.871 -4.743 86 HB2 SER 9 HB2 SER 9 -5.256 1.024 -4.851 87 HB3 SER 9 HB3 SER 9 -4.502 0.967 -3.278 88 HG SER 9 HG SER 9 -2.913 2.521 -4.585 89 H MET 10 H MET 10 -3.754 -1.383 -6.991 90 HA MET 10 HA MET 10 -2.577 0.603 -8.878 91 HB2 MET 10 HB2 MET 10 -2.225 -2.395 -8.946 92 HB3 MET 10 HB3 MET 10 -1.672 -1.271 -10.188 93 HG2 MET 10 HG2 MET 10 -0.456 -0.313 -7.860 94 HG3 MET 10 HG3 MET 10 -0.533 -2.037 -7.600 95 HE1 MET 10 HE1 MET 10 0.539 0.626 -10.340 96 HE2 MET 10 HE2 MET 10 1.754 -0.262 -11.276 97 HE3 MET 10 HE3 MET 10 0.056 -0.730 -11.395 98 H ASP 11 H ASP 11 -3.434 0.456 -10.989 99 HA ASP 11 HA ASP 11 -6.196 -0.708 -11.253 100 HB2 ASP 11 HB2 ASP 11 -5.509 1.802 -11.743 101 HB3 ASP 11 HB3 ASP 11 -4.834 1.203 -13.202 102 H VAL 12 H VAL 12 -3.278 -0.197 -13.324 103 HA VAL 12 HA VAL 12 -3.242 -3.019 -14.092 104 HB VAL 12 HB VAL 12 -3.389 -0.760 -16.159 105 HG11 VAL 12 HG11 VAL 12 -1.909 -2.623 -16.843 106 HG12 VAL 12 HG12 VAL 12 -3.218 -3.785 -16.527 107 HG13 VAL 12 HG13 VAL 12 -3.387 -2.581 -17.813 108 HG21 VAL 12 HG21 VAL 12 -5.476 -1.799 -16.955 109 HG22 VAL 12 HG22 VAL 12 -5.458 -2.910 -15.564 110 HG23 VAL 12 HG23 VAL 12 -5.655 -1.162 -15.329 111 H ASP 13 H ASP 13 -1.794 0.010 -15.377 112 HA ASP 13 HA ASP 13 0.810 -0.939 -14.520 113 HB2 ASP 13 HB2 ASP 13 1.584 0.186 -16.593 114 HB3 ASP 13 HB3 ASP 13 0.306 -0.981 -16.923 115 H LYS 14 H LYS 14 -1.140 1.189 -13.086 116 HA LYS 14 HA LYS 14 1.058 2.870 -12.193 117 HB2 LYS 14 HB2 LYS 14 -0.347 4.986 -12.542 118 HB3 LYS 14 HB3 LYS 14 0.424 4.331 -13.952 119 HG2 LYS 14 HG2 LYS 14 -2.400 3.438 -13.349 120 HG3 LYS 14 HG3 LYS 14 -2.179 5.092 -13.888 121 HD2 LYS 14 HD2 LYS 14 -0.803 2.906 -15.421 122 HD3 LYS 14 HD3 LYS 14 -2.533 3.106 -15.629 123 HE2 LYS 14 HE2 LYS 14 -2.033 5.536 -16.168 124 HE3 LYS 14 HE3 LYS 14 -0.316 5.123 -16.128 125 HZ1 LYS 14 HZ1 LYS 14 -1.164 4.913 -18.386 126 HZ2 LYS 14 HZ2 LYS 14 -2.309 3.838 -17.920 127 HZ3 LYS 14 HZ3 LYS 14 -0.759 3.403 -17.798 128 H ILE 15 H ILE 15 0.137 4.331 -10.346 129 HA ILE 15 HA ILE 15 -1.359 2.747 -8.507 130 HB ILE 15 HB ILE 15 -0.679 5.722 -8.601 131 HG12 ILE 15 HG12 ILE 15 0.535 3.399 -7.020 132 HG13 ILE 15 HG13 ILE 15 1.225 4.097 -8.486 133 HG21 ILE 15 HG21 ILE 15 -2.611 5.479 -7.166 134 HG22 ILE 15 HG22 ILE 15 -1.956 4.038 -6.408 135 HG23 ILE 15 HG23 ILE 15 -1.225 5.639 -6.106 136 HD11 ILE 15 HD11 ILE 15 1.547 6.248 -7.387 137 HD12 ILE 15 HD12 ILE 15 0.965 5.547 -5.852 138 HD13 ILE 15 HD13 ILE 15 2.435 4.931 -6.611 139 H SER 16 H SER 16 -3.520 2.621 -8.132 140 HA SER 16 HA SER 16 -5.493 3.498 -10.072 141 HB2 SER 16 HB2 SER 16 -6.907 2.489 -8.037 142 HB3 SER 16 HB3 SER 16 -5.985 1.424 -9.116 143 HG SER 16 HG SER 16 -5.430 2.314 -6.504 144 H ASN 17 H ASN 17 -7.467 4.742 -9.364 145 HA ASN 17 HA ASN 17 -6.529 7.104 -8.015 146 HB2 ASN 17 HB2 ASN 17 -8.080 7.113 -9.954 147 HB3 ASN 17 HB3 ASN 17 -9.373 6.630 -8.823 148 HD21 ASN 17 HD21 ASN 17 -10.531 8.422 -8.144 149 HD22 ASN 17 HD22 ASN 17 -9.829 9.953 -7.732 150 H SER 18 H SER 18 -8.403 4.331 -6.763 151 HA SER 18 HA SER 18 -7.849 5.494 -4.159 152 HB2 SER 18 HB2 SER 18 -10.122 5.281 -3.296 153 HB3 SER 18 HB3 SER 18 -10.086 6.429 -4.646 154 HG SER 18 HG SER 18 -11.825 4.889 -4.815 155 H PHE 19 H PHE 19 -8.527 3.911 -2.411 156 HA PHE 19 HA PHE 19 -7.482 1.263 -2.876 157 HB2 PHE 19 HB2 PHE 19 -7.209 2.597 -0.791 158 HB3 PHE 19 HB3 PHE 19 -8.943 2.546 -0.524 159 HD1 PHE 19 HD2 PHE 19 -10.066 0.439 0.161 160 HD2 PHE 19 HD1 PHE 19 -5.783 0.669 -0.232 161 HE1 PHE 19 HE2 PHE 19 -9.841 -1.644 1.481 162 HE2 PHE 19 HE1 PHE 19 -5.570 -1.446 1.072 163 HZ PHE 19 HZ PHE 19 -7.575 -2.577 1.950 164 H GLU 20 H GLU 20 -10.619 2.632 -3.288 165 HA GLU 20 HA GLU 20 -11.982 0.002 -3.143 166 HB2 GLU 20 HB2 GLU 20 -12.487 2.605 -2.004 167 HB3 GLU 20 HB3 GLU 20 -13.747 2.278 -3.160 168 HG2 GLU 20 HG2 GLU 20 -12.908 0.181 -1.106 169 HG3 GLU 20 HG3 GLU 20 -13.955 1.512 -0.653 170 H ASP 21 H ASP 21 -10.519 1.805 -5.397 171 HA ASP 21 HA ASP 21 -12.322 0.791 -7.538 172 HB2 ASP 21 HB2 ASP 21 -12.563 3.285 -7.299 173 HB3 ASP 21 HB3 ASP 21 -10.818 3.443 -7.492 174 H CYS 22 H CYS 22 -9.505 0.359 -5.986 175 HA CYS 22 HA CYS 22 -7.673 0.129 -8.244 176 HB2 CYS 22 HB2 CYS 22 -6.181 -0.959 -6.624 177 HB3 CYS 22 HB3 CYS 22 -6.825 0.583 -6.027 178 HG CYS 22 HG CYS 22 -8.027 -2.391 -5.307 179 H LYS 23 H LYS 23 -6.862 -1.835 -9.001 180 HA LYS 23 HA LYS 23 -8.949 -3.954 -9.240 181 HB2 LYS 23 HB2 LYS 23 -6.617 -2.962 -10.878 182 HB3 LYS 23 HB3 LYS 23 -7.346 -4.519 -11.219 183 HG2 LYS 23 HG2 LYS 23 -8.128 -2.672 -12.702 184 HG3 LYS 23 HG3 LYS 23 -9.381 -3.584 -11.892 185 HD2 LYS 23 HD2 LYS 23 -9.751 -1.717 -10.298 186 HD3 LYS 23 HD3 LYS 23 -8.470 -0.800 -11.114 187 HE2 LYS 23 HE2 LYS 23 -10.509 0.016 -11.963 188 HE3 LYS 23 HE3 LYS 23 -9.831 -1.006 -13.241 189 HZ1 LYS 23 HZ1 LYS 23 -11.390 -2.733 -12.624 190 HZ2 LYS 23 HZ2 LYS 23 -12.241 -1.328 -12.778 191 HZ3 LYS 23 HZ3 LYS 23 -11.885 -1.933 -11.292 192 H TYR 24 H TYR 24 -5.629 -3.269 -8.043 193 HA TYR 24 HA TYR 24 -5.776 -5.744 -6.600 194 HB2 TYR 24 HB2 TYR 24 -3.773 -6.767 -7.397 195 HB3 TYR 24 HB3 TYR 24 -4.825 -6.491 -8.768 196 HD1 TYR 24 HD2 TYR 24 -4.450 -4.767 -10.349 197 HD2 TYR 24 HD1 TYR 24 -1.391 -5.957 -7.537 198 HE1 TYR 24 HE2 TYR 24 -2.660 -3.753 -11.782 199 HE2 TYR 24 HE1 TYR 24 0.238 -5.078 -8.783 200 HH TYR 24 HH TYR 24 -0.407 -3.378 -12.022 201 H PHE 25 H PHE 25 -3.833 -6.013 -5.304 202 HA PHE 25 HA PHE 25 -2.670 -3.462 -4.328 203 HB2 PHE 25 HB2 PHE 25 -3.259 -6.071 -2.874 204 HB3 PHE 25 HB3 PHE 25 -2.508 -4.649 -2.171 205 HD1 PHE 25 HD1 PHE 25 -3.881 -2.359 -2.524 206 HD2 PHE 25 HD2 PHE 25 -5.605 -6.302 -2.830 207 HE1 PHE 25 HE1 PHE 25 -6.116 -1.426 -1.995 208 HE2 PHE 25 HE2 PHE 25 -7.846 -5.347 -2.290 209 HZ PHE 25 HZ PHE 25 -8.091 -2.912 -1.866 210 H LEU 26 H LEU 26 -0.700 -3.297 -5.211 211 HA LEU 26 HA LEU 26 1.010 -5.586 -5.822 212 HB2 LEU 26 HB2 LEU 26 0.873 -3.523 -7.216 213 HB3 LEU 26 HB3 LEU 26 1.653 -2.640 -5.951 214 HG LEU 26 HG LEU 26 3.248 -3.050 -7.538 215 HD11 LEU 26 HD11 LEU 26 3.850 -5.491 -5.796 216 HD12 LEU 26 HD12 LEU 26 4.009 -3.831 -5.138 217 HD13 LEU 26 HD13 LEU 26 4.928 -4.334 -6.568 218 HD21 LEU 26 HD21 LEU 26 2.385 -5.959 -7.670 219 HD22 LEU 26 HD22 LEU 26 3.833 -5.298 -8.435 220 HD23 LEU 26 HD23 LEU 26 2.302 -4.739 -8.995 221 H ILE 27 H ILE 27 1.942 -6.552 -4.021 222 HA ILE 27 HA ILE 27 2.293 -5.108 -1.507 223 HB ILE 27 HB ILE 27 2.922 -7.961 -2.269 224 HG12 ILE 27 HG12 ILE 27 0.643 -7.880 -2.655 225 HG13 ILE 27 HG13 ILE 27 0.834 -8.640 -1.103 226 HG21 ILE 27 HG21 ILE 27 2.682 -8.301 0.282 227 HG22 ILE 27 HG22 ILE 27 4.178 -7.638 -0.387 228 HG23 ILE 27 HG23 ILE 27 2.987 -6.550 0.344 229 HD11 ILE 27 HD11 ILE 27 -0.061 -5.758 -1.584 230 HD12 ILE 27 HD12 ILE 27 -1.069 -7.134 -1.109 231 HD13 ILE 27 HD13 ILE 27 0.144 -6.517 0.018 232 H VAL 28 H VAL 28 4.129 -4.267 -0.846 233 HA VAL 28 HA VAL 28 6.629 -4.836 -2.445 234 HB VAL 28 HB VAL 28 6.441 -2.504 -0.506 235 HG11 VAL 28 HG11 VAL 28 8.674 -3.225 -1.630 236 HG12 VAL 28 HG12 VAL 28 7.909 -2.880 -3.185 237 HG13 VAL 28 HG13 VAL 28 8.151 -1.586 -2.028 238 HG21 VAL 28 HG21 VAL 28 4.514 -2.471 -2.234 239 HG22 VAL 28 HG22 VAL 28 5.391 -1.160 -1.652 240 HG23 VAL 28 HG23 VAL 28 5.834 -1.842 -3.287 241 H ARG 29 H ARG 29 7.733 -6.594 -1.552 242 HA ARG 29 HA ARG 29 7.731 -6.867 1.401 243 HB2 ARG 29 HB2 ARG 29 7.091 -8.802 -0.386 244 HB3 ARG 29 HB3 ARG 29 8.823 -8.990 -0.434 245 HG2 ARG 29 HG2 ARG 29 8.741 -9.010 2.168 246 HG3 ARG 29 HG3 ARG 29 6.990 -9.184 2.003 247 HD2 ARG 29 HD2 ARG 29 7.280 -11.264 0.721 248 HD3 ARG 29 HD3 ARG 29 9.031 -11.067 0.733 249 HE ARG 29 HE ARG 29 7.394 -12.267 2.719 250 HH11 ARG 29 HH11 ARG 29 10.409 -10.459 2.315 251 HH12 ARG 29 HH12 ARG 29 11.171 -10.906 3.762 252 HH21 ARG 29 HH21 ARG 29 8.312 -13.074 4.664 253 HH22 ARG 29 HH22 ARG 29 9.894 -12.617 5.152 254 H ILE 30 H ILE 30 9.369 -5.725 2.219 255 HA ILE 30 HA ILE 30 11.874 -5.359 0.634 256 HB ILE 30 HB ILE 30 10.523 -3.748 2.819 257 HG12 ILE 30 HG12 ILE 30 11.247 -2.694 0.068 258 HG13 ILE 30 HG13 ILE 30 9.783 -3.649 0.265 259 HG21 ILE 30 HG21 ILE 30 12.318 -2.052 2.537 260 HG22 ILE 30 HG22 ILE 30 12.894 -3.561 3.237 261 HG23 ILE 30 HG23 ILE 30 13.193 -3.209 1.518 262 HD11 ILE 30 HD11 ILE 30 8.859 -2.109 1.879 263 HD12 ILE 30 HD12 ILE 30 10.347 -1.145 1.888 264 HD13 ILE 30 HD13 ILE 30 9.344 -1.219 0.426 265 H ASP 31 H ASP 31 13.826 -6.072 1.579 266 HA ASP 31 HA ASP 31 13.694 -7.207 4.340 267 HB2 ASP 31 HB2 ASP 31 14.880 -8.357 1.780 268 HB3 ASP 31 HB3 ASP 31 15.382 -8.900 3.383 269 H ASP 32 H ASP 32 15.132 -4.889 2.446 270 HA ASP 32 HA ASP 32 16.997 -4.158 4.427 271 HB2 ASP 32 HB2 ASP 32 19.119 -4.496 3.014 272 HB3 ASP 32 HB3 ASP 32 18.447 -5.963 3.672 273 H ASN 33 H ASN 33 15.064 -2.831 3.502 274 HA ASN 33 HA ASN 33 14.357 -0.889 2.453 275 HB2 ASN 33 HB2 ASN 33 17.314 -0.214 2.377 276 HB3 ASN 33 HB3 ASN 33 15.978 0.906 2.312 277 HD21 ASN 33 HD21 ASN 33 14.704 1.314 4.338 278 HD22 ASN 33 HD22 ASN 33 15.321 0.710 5.846 279 H GLU 34 H GLU 34 15.332 -3.256 0.689 280 HA GLU 34 HA GLU 34 15.190 -1.806 -1.900 281 HB2 GLU 34 HB2 GLU 34 16.680 -4.343 -1.098 282 HB3 GLU 34 HB3 GLU 34 16.403 -3.840 -2.766 283 HG2 GLU 34 HG2 GLU 34 17.543 -1.570 -1.671 284 HG3 GLU 34 HG3 GLU 34 18.307 -2.834 -0.719 285 H VAL 35 H VAL 35 13.988 -2.857 -3.500 286 HA VAL 35 HA VAL 35 11.908 -4.692 -2.612 287 HB VAL 35 HB VAL 35 11.313 -2.978 -4.163 288 HG11 VAL 35 HG11 VAL 35 13.267 -4.086 -6.210 289 HG12 VAL 35 HG12 VAL 35 12.132 -2.753 -6.431 290 HG13 VAL 35 HG13 VAL 35 13.491 -2.576 -5.319 291 HG21 VAL 35 HG21 VAL 35 10.152 -5.093 -4.337 292 HG22 VAL 35 HG22 VAL 35 10.322 -4.338 -5.950 293 HG23 VAL 35 HG23 VAL 35 11.350 -5.701 -5.507 294 H LYS 36 H LYS 36 13.136 -6.410 -1.822 295 HA LYS 36 HA LYS 36 14.776 -7.931 -3.737 296 HB2 LYS 36 HB2 LYS 36 13.611 -8.966 -1.129 297 HB3 LYS 36 HB3 LYS 36 14.852 -9.725 -2.131 298 HG2 LYS 36 HG2 LYS 36 15.089 -7.191 -0.485 299 HG3 LYS 36 HG3 LYS 36 15.950 -8.688 -0.266 300 HD2 LYS 36 HD2 LYS 36 16.683 -7.839 -2.900 301 HD3 LYS 36 HD3 LYS 36 16.510 -6.387 -1.911 302 HE2 LYS 36 HE2 LYS 36 18.651 -6.721 -1.350 303 HE3 LYS 36 HE3 LYS 36 17.982 -7.884 -0.224 304 HZ1 LYS 36 HZ1 LYS 36 18.369 -9.632 -1.826 305 HZ2 LYS 36 HZ2 LYS 36 19.758 -8.854 -1.468 306 HZ3 LYS 36 HZ3 LYS 36 19.057 -8.555 -2.896 307 H SER 37 H SER 37 11.267 -7.978 -2.810 308 HA SER 37 HA SER 37 10.889 -8.857 -5.492 309 HB2 SER 37 HB2 SER 37 11.360 -11.049 -4.047 310 HB3 SER 37 HB3 SER 37 9.738 -10.754 -3.433 311 HG SER 37 HG SER 37 10.589 -11.299 -6.081 312 H THR 38 H THR 38 8.982 -7.913 -6.186 313 HA THR 38 HA THR 38 6.984 -6.881 -4.312 314 HB THR 38 HB THR 38 5.856 -6.502 -6.688 315 HG1 THR 38 HG1 THR 38 7.095 -7.360 -8.221 316 HG21 THR 38 HG21 THR 38 6.649 -4.737 -5.239 317 HG22 THR 38 HG22 THR 38 7.201 -4.423 -6.890 318 HG23 THR 38 HG23 THR 38 8.321 -5.083 -5.682 319 H LYS 39 H LYS 39 4.649 -7.389 -4.894 320 HA LYS 39 HA LYS 39 4.022 -9.963 -6.064 321 HB2 LYS 39 HB2 LYS 39 4.005 -9.354 -3.117 322 HB3 LYS 39 HB3 LYS 39 2.415 -9.783 -3.659 323 HG2 LYS 39 HG2 LYS 39 3.063 -11.708 -2.997 324 HG3 LYS 39 HG3 LYS 39 3.636 -11.918 -4.645 325 HD2 LYS 39 HD2 LYS 39 5.695 -10.521 -3.160 326 HD3 LYS 39 HD3 LYS 39 5.200 -11.887 -2.159 327 HE2 LYS 39 HE2 LYS 39 5.782 -13.458 -3.879 328 HE3 LYS 39 HE3 LYS 39 5.866 -12.157 -5.104 329 HZ1 LYS 39 HZ1 LYS 39 7.765 -12.348 -2.828 330 HZ2 LYS 39 HZ2 LYS 39 7.811 -11.331 -4.133 331 HZ3 LYS 39 HZ3 LYS 39 8.061 -12.931 -4.323 332 H VAL 40 H VAL 40 1.794 -9.908 -6.696 333 HA VAL 40 HA VAL 40 0.064 -7.843 -5.785 334 HB VAL 40 HB VAL 40 0.488 -7.156 -7.456 335 HG11 VAL 40 HG11 VAL 40 0.611 -8.032 -9.731 336 HG12 VAL 40 HG12 VAL 40 0.734 -9.728 -9.002 337 HG13 VAL 40 HG13 VAL 40 1.988 -8.572 -8.622 338 HG21 VAL 40 HG21 VAL 40 -1.574 -9.416 -8.389 339 HG22 VAL 40 HG22 VAL 40 -2.058 -7.966 -7.614 340 HG23 VAL 40 HG23 VAL 40 -1.421 -7.921 -9.247 341 H ILE 41 H ILE 41 -2.112 -8.032 -5.383 342 HA ILE 41 HA ILE 41 -3.352 -10.681 -5.180 343 HB ILE 41 HB ILE 41 -3.455 -8.423 -3.109 344 HG12 ILE 41 HG12 ILE 41 -2.118 -11.138 -2.863 345 HG13 ILE 41 HG13 ILE 41 -1.294 -9.574 -2.981 346 HG21 ILE 41 HG21 ILE 41 -5.568 -9.810 -3.388 347 HG22 ILE 41 HG22 ILE 41 -4.637 -11.219 -2.831 348 HG23 ILE 41 HG23 ILE 41 -4.872 -9.808 -1.769 349 HD11 ILE 41 HD11 ILE 41 -2.646 -8.931 -0.849 350 HD12 ILE 41 HD12 ILE 41 -2.807 -10.692 -0.651 351 HD13 ILE 41 HD13 ILE 41 -1.200 -9.959 -0.724 352 H PHE 42 H PHE 42 -5.119 -10.513 -6.603 353 HA PHE 42 HA PHE 42 -6.016 -7.986 -7.608 354 HB2 PHE 42 HB2 PHE 42 -7.362 -10.726 -7.561 355 HB3 PHE 42 HB3 PHE 42 -7.986 -9.346 -8.455 356 HD1 PHE 42 HD2 PHE 42 -5.214 -8.356 -9.446 357 HD2 PHE 42 HD1 PHE 42 -7.181 -12.166 -9.530 358 HE1 PHE 42 HE2 PHE 42 -3.877 -8.967 -11.414 359 HE2 PHE 42 HE1 PHE 42 -5.900 -12.757 -11.591 360 HZ PHE 42 HZ PHE 42 -4.241 -11.169 -12.525 361 H ASN 43 H ASN 43 -7.683 -6.738 -7.125 362 HA ASN 43 HA ASN 43 -8.776 -6.889 -4.379 363 HB2 ASN 43 HB2 ASN 43 -7.867 -4.718 -5.102 364 HB3 ASN 43 HB3 ASN 43 -8.962 -4.715 -6.503 365 HD21 ASN 43 HD21 ASN 43 -10.346 -2.895 -5.899 366 HD22 ASN 43 HD22 ASN 43 -11.362 -3.014 -4.474 367 H ASP 44 H ASP 44 -10.143 -8.736 -4.735 368 HA ASP 44 HA ASP 44 -12.735 -7.857 -5.948 369 HB2 ASP 44 HB2 ASP 44 -11.456 -10.582 -6.328 370 HB3 ASP 44 HB3 ASP 44 -13.186 -10.310 -6.477 371 H GLU 45 H GLU 45 -11.977 -10.946 -4.397 372 HA GLU 45 HA GLU 45 -13.445 -10.039 -1.951 373 HB2 GLU 45 HB2 GLU 45 -14.441 -12.293 -1.927 374 HB3 GLU 45 HB3 GLU 45 -15.024 -11.195 -3.187 375 HG2 GLU 45 HG2 GLU 45 -13.679 -12.410 -4.871 376 HG3 GLU 45 HG3 GLU 45 -13.105 -13.527 -3.637 377 H SER 46 H SER 46 -11.591 -12.952 -3.037 378 HA SER 46 HA SER 46 -10.593 -13.585 -0.458 379 HB2 SER 46 HB2 SER 46 -10.176 -14.479 -3.195 380 HB3 SER 46 HB3 SER 46 -8.616 -14.293 -2.382 381 HG SER 46 HG SER 46 -10.825 -15.882 -1.607 382 H GLY 47 H GLY 47 -9.721 -11.101 -2.748 383 HA2 GLY 47 HA2 GLY 47 -7.102 -10.563 -1.956 384 HA3 GLY 47 HA3 GLY 47 -8.234 -9.356 -2.631 385 H LYS 48 H LYS 48 -9.984 -8.620 -0.919 386 HA LYS 48 HA LYS 48 -8.558 -7.369 1.186 387 HB2 LYS 48 HB2 LYS 48 -11.506 -7.768 0.580 388 HB3 LYS 48 HB3 LYS 48 -10.982 -6.851 2.006 389 HG2 LYS 48 HG2 LYS 48 -10.149 -5.074 0.761 390 HG3 LYS 48 HG3 LYS 48 -9.702 -6.102 -0.584 391 HD2 LYS 48 HD2 LYS 48 -11.301 -4.854 -1.487 392 HD3 LYS 48 HD3 LYS 48 -12.170 -6.346 -1.148 393 HE2 LYS 48 HE2 LYS 48 -13.444 -5.202 0.582 394 HE3 LYS 48 HE3 LYS 48 -12.310 -3.826 0.566 395 HZ1 LYS 48 HZ1 LYS 48 -14.373 -3.374 -0.727 396 HZ2 LYS 48 HZ2 LYS 48 -13.935 -4.555 -1.799 397 HZ3 LYS 48 HZ3 LYS 48 -13.002 -3.251 -1.590 398 H LYS 49 H LYS 49 -10.149 -10.566 1.143 399 HA LYS 49 HA LYS 49 -10.112 -10.826 3.984 400 HB2 LYS 49 HB2 LYS 49 -10.110 -12.834 1.700 401 HB3 LYS 49 HB3 LYS 49 -9.903 -13.328 3.362 402 HG2 LYS 49 HG2 LYS 49 -12.126 -12.158 3.896 403 HG3 LYS 49 HG3 LYS 49 -12.341 -12.046 2.132 404 HD2 LYS 49 HD2 LYS 49 -11.832 -14.544 2.043 405 HD3 LYS 49 HD3 LYS 49 -11.985 -14.591 3.801 406 HE2 LYS 49 HE2 LYS 49 -14.219 -13.402 2.139 407 HE3 LYS 49 HE3 LYS 49 -13.960 -15.126 2.067 408 HZ1 LYS 49 HZ1 LYS 49 -15.546 -14.738 3.620 409 HZ2 LYS 49 HZ2 LYS 49 -14.671 -13.628 4.463 410 HZ3 LYS 49 HZ3 LYS 49 -14.247 -15.244 4.472 411 H SER 50 H SER 50 -7.741 -11.725 1.393 412 HA SER 50 HA SER 50 -5.981 -13.166 3.044 413 HB2 SER 50 HB2 SER 50 -4.590 -13.284 1.144 414 HB3 SER 50 HB3 SER 50 -6.218 -13.160 0.454 415 HG SER 50 HG SER 50 -5.232 -11.792 -0.668 416 H ILE 51 H ILE 51 -6.064 -9.766 2.073 417 HA ILE 51 HA ILE 51 -3.703 -8.777 3.020 418 HB ILE 51 HB ILE 51 -6.526 -7.551 3.205 419 HG12 ILE 51 HG12 ILE 51 -4.360 -7.487 1.069 420 HG13 ILE 51 HG13 ILE 51 -5.902 -8.203 0.962 421 HG21 ILE 51 HG21 ILE 51 -3.927 -6.042 3.219 422 HG22 ILE 51 HG22 ILE 51 -5.539 -5.331 3.286 423 HG23 ILE 51 HG23 ILE 51 -4.946 -6.255 4.663 424 HD11 ILE 51 HD11 ILE 51 -6.893 -5.817 1.277 425 HD12 ILE 51 HD12 ILE 51 -5.255 -5.304 0.806 426 HD13 ILE 51 HD13 ILE 51 -6.203 -6.330 -0.276 427 H VAL 52 H VAL 52 -6.632 -9.266 5.035 428 HA VAL 52 HA VAL 52 -5.569 -8.408 7.499 429 HB VAL 52 HB VAL 52 -7.611 -10.615 7.010 430 HG11 VAL 52 HG11 VAL 52 -7.140 -8.797 9.411 431 HG12 VAL 52 HG12 VAL 52 -8.516 -9.901 9.219 432 HG13 VAL 52 HG13 VAL 52 -6.880 -10.548 9.353 433 HG21 VAL 52 HG21 VAL 52 -9.303 -8.811 7.205 434 HG22 VAL 52 HG22 VAL 52 -8.006 -7.597 7.304 435 HG23 VAL 52 HG23 VAL 52 -8.263 -8.513 5.822 436 H LYS 53 H LYS 53 -5.222 -11.577 5.837 437 HA LYS 53 HA LYS 53 -3.867 -12.769 8.142 438 HB2 LYS 53 HB2 LYS 53 -4.452 -13.733 5.295 439 HB3 LYS 53 HB3 LYS 53 -3.321 -14.569 6.341 440 HG2 LYS 53 HG2 LYS 53 -5.221 -15.754 6.764 441 HG3 LYS 53 HG3 LYS 53 -5.213 -14.615 8.108 442 HD2 LYS 53 HD2 LYS 53 -6.835 -13.170 6.700 443 HD3 LYS 53 HD3 LYS 53 -6.908 -14.552 5.574 444 HE2 LYS 53 HE2 LYS 53 -7.439 -15.988 7.641 445 HE3 LYS 53 HE3 LYS 53 -7.643 -14.483 8.539 446 HZ1 LYS 53 HZ1 LYS 53 -9.380 -13.928 6.786 447 HZ2 LYS 53 HZ2 LYS 53 -9.748 -15.179 7.792 448 HZ3 LYS 53 HZ3 LYS 53 -9.252 -15.502 6.292 449 H GLU 54 H GLU 54 -2.967 -11.106 5.123 450 HA GLU 54 HA GLU 54 -0.259 -12.005 5.158 451 HB2 GLU 54 HB2 GLU 54 -0.036 -10.910 3.230 452 HB3 GLU 54 HB3 GLU 54 -1.770 -10.963 3.217 453 HG2 GLU 54 HG2 GLU 54 -1.824 -8.614 4.008 454 HG3 GLU 54 HG3 GLU 54 -0.071 -8.603 4.062 455 H ASN 55 H ASN 55 -1.994 -9.588 6.853 456 HA ASN 55 HA ASN 55 -1.582 -7.983 8.327 457 HB2 ASN 55 HB2 ASN 55 -0.734 -10.191 9.385 458 HB3 ASN 55 HB3 ASN 55 0.861 -9.452 9.243 459 HD21 ASN 55 HD21 ASN 55 0.991 -9.537 11.543 460 HD22 ASN 55 HD22 ASN 55 0.023 -8.527 12.587 461 H VAL 56 H VAL 56 -0.902 -7.157 6.003 462 HA VAL 56 HA VAL 56 1.355 -5.878 5.351 463 HB VAL 56 HB VAL 56 -1.087 -4.087 5.536 464 HG11 VAL 56 HG11 VAL 56 0.871 -3.294 4.427 465 HG12 VAL 56 HG12 VAL 56 0.839 -4.657 3.291 466 HG13 VAL 56 HG13 VAL 56 -0.484 -3.466 3.310 467 HG21 VAL 56 HG21 VAL 56 -2.141 -6.241 4.880 468 HG22 VAL 56 HG22 VAL 56 -2.115 -5.027 3.603 469 HG23 VAL 56 HG23 VAL 56 -0.966 -6.360 3.538 470 H ASN 57 H ASN 57 2.566 -4.067 5.873 471 HA ASN 57 HA ASN 57 2.406 -3.000 8.608 472 HB2 ASN 57 HB2 ASN 57 4.524 -3.574 6.826 473 HB3 ASN 57 HB3 ASN 57 4.360 -1.836 6.686 474 HD21 ASN 57 HD21 ASN 57 4.751 -0.431 8.524 475 HD22 ASN 57 HD22 ASN 57 5.382 -1.092 9.983 476 H ALA 58 H ALA 58 2.046 -1.956 5.211 477 HA ALA 58 HA ALA 58 1.029 0.669 6.065 478 HB1 ALA 58 HB1 ALA 58 3.538 0.611 5.671 479 HB2 ALA 58 HB2 ALA 58 3.192 0.200 3.967 480 HB3 ALA 58 HB3 ALA 58 2.650 1.749 4.693 481 H ILE 59 H ILE 59 -0.121 1.838 4.329 482 HA ILE 59 HA ILE 59 -0.783 0.262 1.860 483 HB ILE 59 HB ILE 59 -2.734 1.957 3.458 484 HG12 ILE 59 HG12 ILE 59 -2.478 -1.067 3.238 485 HG13 ILE 59 HG13 ILE 59 -2.350 -0.046 4.677 486 HG21 ILE 59 HG21 ILE 59 -3.418 0.122 1.160 487 HG22 ILE 59 HG22 ILE 59 -4.436 1.351 1.926 488 HG23 ILE 59 HG23 ILE 59 -3.099 1.862 0.913 489 HD11 ILE 59 HD11 ILE 59 -4.456 -1.160 4.750 490 HD12 ILE 59 HD12 ILE 59 -4.758 0.564 4.442 491 HD13 ILE 59 HD13 ILE 59 -4.889 -0.629 3.130 492 H ILE 60 H ILE 60 0.279 1.433 0.221 493 HA ILE 60 HA ILE 60 0.329 4.399 0.312 494 HB ILE 60 HB ILE 60 1.286 2.535 -1.913 495 HG12 ILE 60 HG12 ILE 60 2.821 3.912 0.308 496 HG13 ILE 60 HG13 ILE 60 2.672 2.139 0.090 497 HG21 ILE 60 HG21 ILE 60 1.808 5.503 -1.402 498 HG22 ILE 60 HG22 ILE 60 2.425 4.555 -2.770 499 HG23 ILE 60 HG23 ILE 60 0.704 4.867 -2.637 500 HD11 ILE 60 HD11 ILE 60 3.961 2.472 -2.088 501 HD12 ILE 60 HD12 ILE 60 4.318 4.114 -1.516 502 HD13 ILE 60 HD13 ILE 60 4.819 2.711 -0.556 503 H CYS 61 H CYS 61 -1.420 5.539 -0.630 504 HA CYS 61 HA CYS 61 -2.692 4.452 -2.998 505 HB2 CYS 61 HB2 CYS 61 -5.028 4.787 -2.107 506 HB3 CYS 61 HB3 CYS 61 -4.200 3.352 -1.577 507 HG CYS 61 HG CYS 61 -3.775 6.041 0.227 508 H LYS 62 H LYS 62 -4.270 6.049 -3.914 509 HA LYS 62 HA LYS 62 -3.466 8.883 -3.576 510 HB2 LYS 62 HB2 LYS 62 -5.210 7.336 -5.539 511 HB3 LYS 62 HB3 LYS 62 -5.294 9.088 -5.428 512 HG2 LYS 62 HG2 LYS 62 -2.930 9.314 -5.967 513 HG3 LYS 62 HG3 LYS 62 -2.709 7.574 -5.844 514 HD2 LYS 62 HD2 LYS 62 -2.927 7.484 -8.045 515 HD3 LYS 62 HD3 LYS 62 -4.634 7.709 -7.832 516 HE2 LYS 62 HE2 LYS 62 -2.678 10.011 -8.124 517 HE3 LYS 62 HE3 LYS 62 -3.322 9.135 -9.504 518 HZ1 LYS 62 HZ1 LYS 62 -5.565 9.781 -8.847 519 HZ2 LYS 62 HZ2 LYS 62 -4.619 11.081 -9.087 520 HZ3 LYS 62 HZ3 LYS 62 -4.996 10.621 -7.547 521 H ASN 63 H ASN 63 -6.344 6.666 -3.129 522 HA ASN 63 HA ASN 63 -7.264 8.538 -1.070 523 HB2 ASN 63 HB2 ASN 63 -8.753 8.123 -3.681 524 HB3 ASN 63 HB3 ASN 63 -9.658 8.340 -2.186 525 HD21 ASN 63 HD21 ASN 63 -8.582 10.163 -4.755 526 HD22 ASN 63 HD22 ASN 63 -8.198 11.623 -3.872 527 H ILE 64 H ILE 64 -9.182 7.641 0.088 528 HA ILE 64 HA ILE 64 -9.530 4.766 0.013 529 HB ILE 64 HB ILE 64 -7.385 4.967 1.138 530 HG12 ILE 64 HG12 ILE 64 -9.479 4.428 3.265 531 HG13 ILE 64 HG13 ILE 64 -9.112 3.327 1.934 532 HG21 ILE 64 HG21 ILE 64 -6.973 6.251 3.175 533 HG22 ILE 64 HG22 ILE 64 -7.503 7.334 1.908 534 HG23 ILE 64 HG23 ILE 64 -8.643 6.862 3.170 535 HD11 ILE 64 HD11 ILE 64 -6.743 3.180 2.700 536 HD12 ILE 64 HD12 ILE 64 -7.151 4.194 4.102 537 HD13 ILE 64 HD13 ILE 64 -7.906 2.604 3.910 538 H SER 65 H SER 65 -11.566 4.326 0.926 539 HA SER 65 HA SER 65 -13.274 6.609 1.394 540 HB2 SER 65 HB2 SER 65 -13.616 3.593 1.343 541 HB3 SER 65 HB3 SER 65 -14.958 4.608 1.897 542 HG SER 65 HG SER 65 -14.858 4.317 -0.517 543 H GLU 66 H GLU 66 -14.683 6.882 3.328 544 HA GLU 66 HA GLU 66 -12.858 7.228 5.497 545 HB2 GLU 66 HB2 GLU 66 -14.566 8.900 4.928 546 HB3 GLU 66 HB3 GLU 66 -15.858 7.780 5.365 547 HG2 GLU 66 HG2 GLU 66 -15.224 7.769 7.668 548 HG3 GLU 66 HG3 GLU 66 -13.663 8.546 7.343 549 H GLU 67 H GLU 67 -15.445 4.817 4.907 550 HA GLU 67 HA GLU 67 -15.143 3.718 7.526 551 HB2 GLU 67 HB2 GLU 67 -16.938 3.253 5.546 552 HB3 GLU 67 HB3 GLU 67 -15.926 1.831 5.346 553 HG2 GLU 67 HG2 GLU 67 -15.979 1.639 7.985 554 HG3 GLU 67 HG3 GLU 67 -17.410 2.650 7.871 555 H ASN 68 H ASN 68 -13.696 2.762 4.397 556 HA ASN 68 HA ASN 68 -12.080 0.640 5.383 557 HB2 ASN 68 HB2 ASN 68 -11.832 2.539 3.021 558 HB3 ASN 68 HB3 ASN 68 -10.460 1.520 3.447 559 HD21 ASN 68 HD21 ASN 68 -12.203 1.455 1.012 560 HD22 ASN 68 HD22 ASN 68 -12.620 -0.220 0.891 561 H TYR 69 H TYR 69 -11.408 4.135 5.197 562 HA TYR 69 HA TYR 69 -8.711 4.100 5.882 563 HB2 TYR 69 HB2 TYR 69 -9.798 6.124 5.084 564 HB3 TYR 69 HB3 TYR 69 -10.847 6.177 6.498 565 HD1 TYR 69 HD2 TYR 69 -7.245 6.216 5.461 566 HD2 TYR 69 HD1 TYR 69 -10.096 7.274 8.525 567 HE1 TYR 69 HE2 TYR 69 -5.446 7.228 6.764 568 HE2 TYR 69 HE1 TYR 69 -8.317 8.416 9.776 569 HH TYR 69 HH TYR 69 -5.917 9.333 9.370 570 H LYS 70 H LYS 70 -11.466 4.632 8.118 571 HA LYS 70 HA LYS 70 -9.849 4.578 10.485 572 HB2 LYS 70 HB2 LYS 70 -12.849 4.041 10.332 573 HB3 LYS 70 HB3 LYS 70 -11.913 4.482 11.763 574 HG2 LYS 70 HG2 LYS 70 -11.235 6.615 10.735 575 HG3 LYS 70 HG3 LYS 70 -12.166 6.221 9.295 576 HD2 LYS 70 HD2 LYS 70 -14.131 5.839 11.104 577 HD3 LYS 70 HD3 LYS 70 -13.125 6.968 12.041 578 HE2 LYS 70 HE2 LYS 70 -13.118 8.452 9.932 579 HE3 LYS 70 HE3 LYS 70 -14.263 7.302 9.233 580 HZ1 LYS 70 HZ1 LYS 70 -14.741 9.029 11.571 581 HZ2 LYS 70 HZ2 LYS 70 -15.816 7.921 11.009 582 HZ3 LYS 70 HZ3 LYS 70 -15.394 9.184 10.055 583 H LYS 71 H LYS 71 -10.927 1.986 8.530 584 HA LYS 71 HA LYS 71 -10.923 -0.039 10.643 585 HB2 LYS 71 HB2 LYS 71 -12.588 -0.047 8.917 586 HB3 LYS 71 HB3 LYS 71 -11.386 -0.136 7.627 587 HG2 LYS 71 HG2 LYS 71 -10.837 -2.342 8.063 588 HG3 LYS 71 HG3 LYS 71 -11.289 -2.225 9.770 589 HD2 LYS 71 HD2 LYS 71 -13.711 -1.779 8.412 590 HD3 LYS 71 HD3 LYS 71 -12.943 -3.060 7.470 591 HE2 LYS 71 HE2 LYS 71 -13.313 -2.991 10.497 592 HE3 LYS 71 HE3 LYS 71 -14.394 -3.834 9.384 593 HZ1 LYS 71 HZ1 LYS 71 -12.652 -5.224 10.447 594 HZ2 LYS 71 HZ2 LYS 71 -11.496 -4.438 9.530 595 HZ3 LYS 71 HZ3 LYS 71 -12.648 -5.322 8.805 596 H PHE 72 H PHE 72 -9.030 0.729 7.677 597 HA PHE 72 HA PHE 72 -7.052 -1.294 8.332 598 HB2 PHE 72 HB2 PHE 72 -7.336 0.775 6.133 599 HB3 PHE 72 HB3 PHE 72 -5.872 -0.172 6.363 600 HD1 PHE 72 HD2 PHE 72 -5.929 -2.640 6.276 601 HD2 PHE 72 HD1 PHE 72 -9.350 -0.341 5.114 602 HE1 PHE 72 HE2 PHE 72 -6.872 -4.642 5.129 603 HE2 PHE 72 HE1 PHE 72 -10.340 -2.334 4.063 604 HZ PHE 72 HZ PHE 72 -9.096 -4.526 4.078 605 H SER 73 H SER 73 -7.330 2.248 8.880 606 HA SER 73 HA SER 73 -4.655 2.751 9.516 607 HB2 SER 73 HB2 SER 73 -5.475 4.751 10.586 608 HB3 SER 73 HB3 SER 73 -6.379 4.470 9.100 609 HG SER 73 HG SER 73 -7.670 5.051 10.971 610 H LYS 74 H LYS 74 -6.621 0.617 11.213 611 HA LYS 74 HA LYS 74 -5.811 1.483 13.873 612 HB2 LYS 74 HB2 LYS 74 -8.069 0.538 13.153 613 HB3 LYS 74 HB3 LYS 74 -7.327 -1.054 13.136 614 HG2 LYS 74 HG2 LYS 74 -6.977 0.679 15.595 615 HG3 LYS 74 HG3 LYS 74 -8.581 0.053 15.264 616 HD2 LYS 74 HD2 LYS 74 -6.161 -1.783 15.366 617 HD3 LYS 74 HD3 LYS 74 -7.066 -1.339 16.809 618 HE2 LYS 74 HE2 LYS 74 -8.681 -2.292 14.468 619 HE3 LYS 74 HE3 LYS 74 -7.618 -3.485 15.224 620 HZ1 LYS 74 HZ1 LYS 74 -8.616 -3.046 17.315 621 HZ2 LYS 74 HZ2 LYS 74 -9.769 -3.484 16.228 622 HZ3 LYS 74 HZ3 LYS 74 -9.639 -1.895 16.669 623 H LYS 75 H LYS 75 -4.471 -0.724 11.487 624 HA LYS 75 HA LYS 75 -2.250 -1.170 13.393 625 HB2 LYS 75 HB2 LYS 75 -3.992 -3.158 13.331 626 HB3 LYS 75 HB3 LYS 75 -3.295 -3.504 11.765 627 HG2 LYS 75 HG2 LYS 75 -1.811 -4.791 12.858 628 HG3 LYS 75 HG3 LYS 75 -1.002 -3.311 13.357 629 HD2 LYS 75 HD2 LYS 75 -2.324 -3.269 15.434 630 HD3 LYS 75 HD3 LYS 75 -3.181 -4.748 14.934 631 HE2 LYS 75 HE2 LYS 75 -0.775 -5.768 14.721 632 HE3 LYS 75 HE3 LYS 75 -0.247 -4.362 15.661 633 HZ1 LYS 75 HZ1 LYS 75 -0.746 -6.315 17.057 634 HZ2 LYS 75 HZ2 LYS 75 -2.313 -6.286 16.558 635 HZ3 LYS 75 HZ3 LYS 75 -1.688 -5.046 17.445 636 H ILE 76 H ILE 76 -3.141 0.004 10.463 637 HA ILE 76 HA ILE 76 -0.621 -0.816 9.158 638 HB ILE 76 HB ILE 76 -3.166 -0.553 7.544 639 HG12 ILE 76 HG12 ILE 76 -2.212 -3.137 8.869 640 HG13 ILE 76 HG13 ILE 76 -3.772 -2.329 9.085 641 HG21 ILE 76 HG21 ILE 76 -1.813 -1.860 5.918 642 HG22 ILE 76 HG22 ILE 76 -0.935 -0.448 6.488 643 HG23 ILE 76 HG23 ILE 76 -0.561 -2.054 7.145 644 HD11 ILE 76 HD11 ILE 76 -4.419 -3.894 7.531 645 HD12 ILE 76 HD12 ILE 76 -3.845 -2.616 6.411 646 HD13 ILE 76 HD13 ILE 76 -2.809 -3.982 6.798 647 H GLU 77 H GLU 77 0.452 0.850 8.414 648 HA GLU 77 HA GLU 77 -0.495 3.550 8.876 649 HB2 GLU 77 HB2 GLU 77 2.120 2.367 7.877 650 HB3 GLU 77 HB3 GLU 77 1.868 4.078 8.262 651 HG2 GLU 77 HG2 GLU 77 1.583 3.706 10.550 652 HG3 GLU 77 HG3 GLU 77 1.218 1.993 10.368 653 H ILE 78 H ILE 78 -1.795 4.527 7.295 654 HA ILE 78 HA ILE 78 -1.432 3.663 4.502 655 HB ILE 78 HB ILE 78 -3.459 5.527 5.779 656 HG12 ILE 78 HG12 ILE 78 -4.503 2.982 4.688 657 HG13 ILE 78 HG13 ILE 78 -3.319 2.664 5.939 658 HG21 ILE 78 HG21 ILE 78 -3.472 4.240 3.013 659 HG22 ILE 78 HG22 ILE 78 -4.738 5.283 3.693 660 HG23 ILE 78 HG23 ILE 78 -3.134 5.939 3.337 661 HD11 ILE 78 HD11 ILE 78 -4.542 4.120 7.500 662 HD12 ILE 78 HD12 ILE 78 -5.729 4.497 6.227 663 HD13 ILE 78 HD13 ILE 78 -5.595 2.842 6.845 664 H TYR 79 H TYR 79 -0.351 4.876 2.907 665 HA TYR 79 HA TYR 79 0.586 7.587 3.640 666 HB2 TYR 79 HB2 TYR 79 1.945 5.354 2.115 667 HB3 TYR 79 HB3 TYR 79 2.474 7.019 2.092 668 HD1 TYR 79 HD2 TYR 79 1.831 4.219 4.589 669 HD2 TYR 79 HD1 TYR 79 3.861 7.899 3.695 670 HE1 TYR 79 HE2 TYR 79 3.395 3.840 6.494 671 HE2 TYR 79 HE1 TYR 79 5.413 7.538 5.555 672 HH TYR 79 HH TYR 79 6.110 6.004 7.263 673 H HIS 80 H HIS 80 0.609 9.152 2.040 674 HA HIS 80 HA HIS 80 -1.391 8.789 -0.053 675 HB2 HIS 80 HB2 HIS 80 -1.156 10.865 1.610 676 HB3 HIS 80 HB3 HIS 80 0.113 11.360 0.542 677 HD1 HIS 80 HD1 HIS 80 -1.712 13.519 0.114 678 HD2 HIS 80 HD2 HIS 80 -2.686 9.720 -1.456 679 HE1 HIS 80 HE1 HIS 80 -3.554 13.838 -1.703 680 H ALA 81 H ALA 81 -0.771 8.651 -2.196 681 HA ALA 81 HA ALA 81 2.085 8.431 -2.822 682 HB1 ALA 81 HB1 ALA 81 0.414 6.920 -3.859 683 HB2 ALA 81 HB2 ALA 81 -0.385 8.311 -4.627 684 HB3 ALA 81 HB3 ALA 81 1.276 7.874 -5.086 685 H GLU 82 H GLU 82 3.375 9.915 -3.874 686 HA GLU 82 HA GLU 82 2.492 12.655 -3.919 687 HB2 GLU 82 HB2 GLU 82 4.762 13.169 -4.381 688 HB3 GLU 82 HB3 GLU 82 4.767 11.855 -3.227 689 HG2 GLU 82 HG2 GLU 82 5.958 10.568 -4.556 690 HG3 GLU 82 HG3 GLU 82 4.875 10.728 -5.888 691 H GLY 83 H GLY 83 2.239 10.275 -6.199 692 HA2 GLY 83 HA2 GLY 83 1.422 11.697 -8.513 693 HA3 GLY 83 HA3 GLY 83 3.168 11.425 -8.524 694 H ASP 84 H ASP 84 1.632 10.178 -10.412 695 HA ASP 84 HA ASP 84 0.438 7.673 -9.810 696 HB2 ASP 84 HB2 ASP 84 1.735 8.554 -12.426 697 HB3 ASP 84 HB3 ASP 84 0.435 7.381 -12.213 698 H ASP 85 H ASP 85 3.664 8.650 -9.971 699 HA ASP 85 HA ASP 85 4.802 6.406 -11.437 700 HB2 ASP 85 HB2 ASP 85 5.845 8.827 -10.996 701 HB3 ASP 85 HB3 ASP 85 6.457 8.118 -9.604 702 H VAL 86 H VAL 86 4.291 4.463 -10.416 703 HA VAL 86 HA VAL 86 4.306 3.899 -7.675 704 HB VAL 86 HB VAL 86 4.995 2.186 -10.100 705 HG11 VAL 86 HG11 VAL 86 4.922 1.256 -7.189 706 HG12 VAL 86 HG12 VAL 86 4.635 0.169 -8.576 707 HG13 VAL 86 HG13 VAL 86 6.168 1.022 -8.431 708 HG21 VAL 86 HG21 VAL 86 2.565 2.209 -8.264 709 HG22 VAL 86 HG22 VAL 86 2.646 2.920 -9.904 710 HG23 VAL 86 HG23 VAL 86 2.807 1.182 -9.694 711 H ASP 87 H ASP 87 7.073 4.130 -9.965 712 HA ASP 87 HA ASP 87 8.941 2.808 -8.226 713 HB2 ASP 87 HB2 ASP 87 9.469 4.572 -10.651 714 HB3 ASP 87 HB3 ASP 87 10.628 3.598 -9.803 715 H LYS 88 H LYS 88 8.236 6.276 -8.989 716 HA LYS 88 HA LYS 88 10.137 7.356 -7.160 717 HB2 LYS 88 HB2 LYS 88 8.768 8.631 -8.860 718 HB3 LYS 88 HB3 LYS 88 7.367 8.401 -7.828 719 HG2 LYS 88 HG2 LYS 88 8.579 10.653 -7.783 720 HG3 LYS 88 HG3 LYS 88 7.960 9.943 -6.292 721 HD2 LYS 88 HD2 LYS 88 10.040 9.445 -5.456 722 HD3 LYS 88 HD3 LYS 88 10.853 9.498 -7.023 723 HE2 LYS 88 HE2 LYS 88 9.540 11.998 -5.930 724 HE3 LYS 88 HE3 LYS 88 11.070 11.454 -5.215 725 HZ1 LYS 88 HZ1 LYS 88 12.094 11.500 -7.328 726 HZ2 LYS 88 HZ2 LYS 88 11.460 12.973 -7.044 727 HZ3 LYS 88 HZ3 LYS 88 10.684 11.979 -8.086 728 H ASN 89 H ASN 89 6.866 6.157 -6.583 729 HA ASN 89 HA ASN 89 6.721 7.218 -3.877 730 HB2 ASN 89 HB2 ASN 89 5.137 5.324 -5.590 731 HB3 ASN 89 HB3 ASN 89 4.711 5.465 -3.894 732 HD21 ASN 89 HD21 ASN 89 4.907 7.215 -6.931 733 HD22 ASN 89 HD22 ASN 89 4.201 8.706 -6.445 734 H ILE 90 H ILE 90 8.000 4.262 -5.213 735 HA ILE 90 HA ILE 90 7.835 2.757 -2.758 736 HB ILE 90 HB ILE 90 9.449 2.481 -5.278 737 HG12 ILE 90 HG12 ILE 90 7.361 0.479 -4.311 738 HG13 ILE 90 HG13 ILE 90 6.934 1.872 -5.235 739 HG21 ILE 90 HG21 ILE 90 9.404 0.594 -2.865 740 HG22 ILE 90 HG22 ILE 90 10.159 0.176 -4.427 741 HG23 ILE 90 HG23 ILE 90 10.824 1.483 -3.475 742 HD11 ILE 90 HD11 ILE 90 7.262 0.153 -6.806 743 HD12 ILE 90 HD12 ILE 90 8.716 1.138 -6.942 744 HD13 ILE 90 HD13 ILE 90 8.767 -0.391 -6.063 745 H SER 91 H SER 91 10.513 4.608 -4.347 746 HA SER 91 HA SER 91 12.419 4.131 -2.307 747 HB2 SER 91 HB2 SER 91 13.552 6.156 -3.407 748 HB3 SER 91 HB3 SER 91 13.177 4.768 -4.445 749 HG SER 91 HG SER 91 12.392 6.406 -5.579 750 H LEU 92 H LEU 92 10.059 6.778 -2.728 751 HA LEU 92 HA LEU 92 10.860 8.281 -0.408 752 HB2 LEU 92 HB2 LEU 92 8.190 8.032 -1.833 753 HB3 LEU 92 HB3 LEU 92 8.526 9.213 -0.566 754 HG LEU 92 HG LEU 92 10.030 9.077 -3.205 755 HD11 LEU 92 HD11 LEU 92 7.632 9.591 -3.474 756 HD12 LEU 92 HD12 LEU 92 8.648 10.993 -3.858 757 HD13 LEU 92 HD13 LEU 92 7.784 10.926 -2.313 758 HD21 LEU 92 HD21 LEU 92 9.993 11.293 -1.118 759 HD22 LEU 92 HD22 LEU 92 10.826 11.324 -2.674 760 HD23 LEU 92 HD23 LEU 92 11.359 10.192 -1.437 761 H PHE 93 H PHE 93 8.396 5.643 -0.795 762 HA PHE 93 HA PHE 93 7.440 5.767 1.878 763 HB2 PHE 93 HB2 PHE 93 6.202 4.543 0.218 764 HB3 PHE 93 HB3 PHE 93 7.573 3.562 -0.205 765 HD1 PHE 93 HD1 PHE 93 5.528 4.326 2.884 766 HD2 PHE 93 HD2 PHE 93 7.816 1.421 0.678 767 HE1 PHE 93 HE1 PHE 93 4.895 2.558 4.514 768 HE2 PHE 93 HE2 PHE 93 7.065 -0.356 2.193 769 HZ PHE 93 HZ PHE 93 5.555 0.171 4.081 770 H ILE 94 H ILE 94 10.210 4.046 0.479 771 HA ILE 94 HA ILE 94 10.812 2.456 2.791 772 HB ILE 94 HB ILE 94 12.444 3.428 0.425 773 HG12 ILE 94 HG12 ILE 94 11.652 0.588 1.195 774 HG13 ILE 94 HG13 ILE 94 10.504 1.627 0.363 775 HG21 ILE 94 HG21 ILE 94 13.385 1.498 2.593 776 HG22 ILE 94 HG22 ILE 94 14.224 1.845 1.059 777 HG23 ILE 94 HG23 ILE 94 14.064 3.109 2.265 778 HD11 ILE 94 HD11 ILE 94 13.224 0.826 -0.723 779 HD12 ILE 94 HD12 ILE 94 11.638 0.223 -1.236 780 HD13 ILE 94 HD13 ILE 94 12.073 1.925 -1.503 781 H GLU 95 H GLU 95 11.905 5.796 1.858 782 HA GLU 95 HA GLU 95 13.347 6.072 4.374 783 HB2 GLU 95 HB2 GLU 95 12.709 8.009 2.116 784 HB3 GLU 95 HB3 GLU 95 13.510 8.497 3.614 785 HG2 GLU 95 HG2 GLU 95 15.171 6.713 3.232 786 HG3 GLU 95 HG3 GLU 95 14.512 6.426 1.622 787 H GLY 96 H GLY 96 10.039 6.352 3.501 788 HA2 GLY 96 HA2 GLY 96 8.290 6.610 5.017 789 HA3 GLY 96 HA3 GLY 96 9.387 7.334 6.195 790 H GLU 97 H GLU 97 9.965 8.699 3.173 791 HA GLU 97 HA GLU 97 9.296 11.274 4.012 792 HB2 GLU 97 HB2 GLU 97 10.737 9.993 1.926 793 HB3 GLU 97 HB3 GLU 97 9.556 10.960 1.083 794 HG2 GLU 97 HG2 GLU 97 10.946 12.426 3.284 795 HG3 GLU 97 HG3 GLU 97 12.029 11.780 2.069 796 H LEU 98 H LEU 98 7.351 9.021 2.124 797 HA LEU 98 HA LEU 98 5.425 10.880 0.985 798 HB2 LEU 98 HB2 LEU 98 5.091 8.025 1.961 799 HB3 LEU 98 HB3 LEU 98 3.809 8.929 1.161 800 HG LEU 98 HG LEU 98 6.433 7.992 -0.040 801 HD11 LEU 98 HD11 LEU 98 3.541 7.272 -0.676 802 HD12 LEU 98 HD12 LEU 98 4.658 6.271 0.287 803 HD13 LEU 98 HD13 LEU 98 4.993 6.587 -1.428 804 HD21 LEU 98 HD21 LEU 98 5.543 8.850 -2.218 805 HD22 LEU 98 HD22 LEU 98 5.897 10.143 -1.076 806 HD23 LEU 98 HD23 LEU 98 4.216 9.637 -1.349 807 H SER 99 H SER 99 3.601 11.816 1.809 808 HA SER 99 HA SER 99 3.317 12.300 4.636 809 HB2 SER 99 HB2 SER 99 1.737 12.685 2.091 810 HB3 SER 99 HB3 SER 99 0.912 12.926 3.645 811 HG SER 99 HG SER 99 3.293 14.313 2.867 812 H LYS 100 H LYS 100 2.265 11.018 6.143 813 HA LYS 100 HA LYS 100 0.825 8.612 5.287 814 HB2 LYS 100 HB2 LYS 100 1.166 9.920 7.990 815 HB3 LYS 100 HB3 LYS 100 0.109 8.521 7.690 816 HG2 LYS 100 HG2 LYS 100 2.028 7.291 6.686 817 HG3 LYS 100 HG3 LYS 100 3.093 8.648 7.045 818 HD2 LYS 100 HD2 LYS 100 3.368 6.836 8.638 819 HD3 LYS 100 HD3 LYS 100 2.811 8.306 9.443 820 HE2 LYS 100 HE2 LYS 100 0.730 6.346 8.507 821 HE3 LYS 100 HE3 LYS 100 1.747 5.845 9.867 822 HZ1 LYS 100 HZ1 LYS 100 0.245 8.392 9.850 823 HZ2 LYS 100 HZ2 LYS 100 1.069 7.726 11.103 824 HZ3 LYS 100 HZ3 LYS 100 -0.295 7.012 10.555 825 H ILE 101 H ILE 101 -1.327 8.454 4.906 826 HA ILE 101 HA ILE 101 -2.895 10.842 4.424 827 HB ILE 101 HB ILE 101 -3.665 7.887 4.581 828 HG12 ILE 101 HG12 ILE 101 -3.001 9.820 2.331 829 HG13 ILE 101 HG13 ILE 101 -2.269 8.259 2.713 830 HG21 ILE 101 HG21 ILE 101 -5.820 8.489 3.602 831 HG22 ILE 101 HG22 ILE 101 -5.626 9.359 5.109 832 HG23 ILE 101 HG23 ILE 101 -5.345 10.196 3.558 833 HD11 ILE 101 HD11 ILE 101 -4.937 8.800 1.373 834 HD12 ILE 101 HD12 ILE 101 -3.522 7.973 0.712 835 HD13 ILE 101 HD13 ILE 101 -4.485 7.198 1.988 836 H SER 102 H SER 102 -3.495 12.114 6.112 837 HA SER 102 HA SER 102 -3.824 11.016 8.769 838 HB2 SER 102 HB2 SER 102 -4.512 13.783 7.695 839 HB3 SER 102 HB3 SER 102 -4.274 13.330 9.393 840 HG SER 102 HG SER 102 -2.105 12.709 8.767 841 H ASN 103 H ASN 103 -5.955 11.905 6.084 842 HA ASN 103 HA ASN 103 -8.344 10.928 7.460 843 HB2 ASN 103 HB2 ASN 103 -9.531 13.019 6.833 844 HB3 ASN 103 HB3 ASN 103 -8.206 13.395 7.927 845 HD21 ASN 103 HD21 ASN 103 -9.472 13.798 4.618 846 HD22 ASN 103 HD22 ASN 103 -8.156 14.731 4.014 847 HA PRO 104 HA PRO 104 -9.151 10.026 2.960 848 HB2 PRO 104 HB2 PRO 104 -11.859 9.922 2.972 849 HB3 PRO 104 HB3 PRO 104 -10.881 8.595 3.686 850 HG2 PRO 104 HG2 PRO 104 -12.158 10.921 5.140 851 HG3 PRO 104 HG3 PRO 104 -12.260 9.198 5.547 852 HD2 PRO 104 HD2 PRO 104 -10.447 10.782 6.763 853 HD3 PRO 104 HD3 PRO 104 -10.040 9.103 6.313 Start of MODEL 5 1 H1 GLY -2 H GLY -2 18.868 4.762 7.354 2 HA2 GLY -2 HA2 GLY -2 17.385 2.924 6.667 3 HA3 GLY -2 HA3 GLY -2 18.302 3.589 5.315 4 H HIS -1 H HIS -1 17.980 0.834 7.494 5 HA HIS -1 HA HIS -1 18.418 -0.544 4.998 6 HB2 HIS -1 HB2 HIS -1 19.041 -2.667 6.054 7 HB3 HIS -1 HB3 HIS -1 20.296 -1.451 6.223 8 HD1 HIS -1 HD1 HIS -1 21.004 -0.800 8.672 9 HD2 HIS -1 HD2 HIS -1 17.634 -3.312 8.336 10 HE1 HIS -1 HE1 HIS -1 20.380 -1.499 11.066 11 H MET 1 H MET 1 16.710 -2.488 5.090 12 HA MET 1 HA MET 1 14.696 -2.069 7.137 13 HB2 MET 1 HB2 MET 1 13.962 -0.386 5.493 14 HB3 MET 1 HB3 MET 1 14.009 -1.623 4.218 15 HG2 MET 1 HG2 MET 1 11.711 -1.198 5.100 16 HG3 MET 1 HG3 MET 1 12.220 -2.874 5.296 17 HE1 MET 1 HE1 MET 1 10.379 -2.969 8.644 18 HE2 MET 1 HE2 MET 1 9.688 -2.188 7.215 19 HE3 MET 1 HE3 MET 1 10.647 -3.679 7.036 20 H ILE 2 H ILE 2 13.486 -3.972 7.426 21 HA ILE 2 HA ILE 2 14.022 -6.219 5.573 22 HB ILE 2 HB ILE 2 14.294 -6.399 8.595 23 HG12 ILE 2 HG12 ILE 2 16.540 -6.262 6.551 24 HG13 ILE 2 HG13 ILE 2 16.157 -5.030 7.753 25 HG21 ILE 2 HG21 ILE 2 15.011 -8.344 6.358 26 HG22 ILE 2 HG22 ILE 2 15.184 -8.658 8.098 27 HG23 ILE 2 HG23 ILE 2 13.587 -8.470 7.397 28 HD11 ILE 2 HD11 ILE 2 16.561 -6.706 9.573 29 HD12 ILE 2 HD12 ILE 2 17.242 -7.787 8.328 30 HD13 ILE 2 HD13 ILE 2 17.984 -6.210 8.628 31 H ASN 3 H ASN 3 12.236 -7.490 5.279 32 HA ASN 3 HA ASN 3 10.353 -8.566 5.543 33 HB2 ASN 3 HB2 ASN 3 11.403 -8.959 7.868 34 HB3 ASN 3 HB3 ASN 3 10.210 -7.819 8.464 35 HD21 ASN 3 HD21 ASN 3 10.521 -10.919 6.566 36 HD22 ASN 3 HD22 ASN 3 8.971 -11.506 7.027 37 H MET 4 H MET 4 10.317 -5.545 4.970 38 HA MET 4 HA MET 4 7.908 -4.416 6.047 39 HB2 MET 4 HB2 MET 4 9.859 -3.238 4.832 40 HB3 MET 4 HB3 MET 4 9.185 -3.892 3.347 41 HG2 MET 4 HG2 MET 4 8.532 -1.729 3.371 42 HG3 MET 4 HG3 MET 4 7.103 -2.669 3.738 43 HE1 MET 4 HE1 MET 4 8.755 0.879 6.035 44 HE2 MET 4 HE2 MET 4 9.987 -0.362 5.857 45 HE3 MET 4 HE3 MET 4 9.227 0.353 4.418 46 H LYS 5 H LYS 5 5.825 -4.277 4.994 47 HA LYS 5 HA LYS 5 5.339 -5.757 2.501 48 HB2 LYS 5 HB2 LYS 5 3.831 -6.144 5.089 49 HB3 LYS 5 HB3 LYS 5 3.022 -6.261 3.521 50 HG2 LYS 5 HG2 LYS 5 4.660 -8.035 2.842 51 HG3 LYS 5 HG3 LYS 5 5.312 -7.976 4.491 52 HD2 LYS 5 HD2 LYS 5 2.673 -8.215 5.088 53 HD3 LYS 5 HD3 LYS 5 2.627 -8.970 3.488 54 HE2 LYS 5 HE2 LYS 5 4.496 -9.750 5.739 55 HE3 LYS 5 HE3 LYS 5 2.907 -10.491 5.502 56 HZ1 LYS 5 HZ1 LYS 5 4.413 -11.912 4.520 57 HZ2 LYS 5 HZ2 LYS 5 5.269 -10.736 3.798 58 HZ3 LYS 5 HZ3 LYS 5 3.743 -11.170 3.244 59 H VAL 6 H VAL 6 4.287 -4.169 1.149 60 HA VAL 6 HA VAL 6 2.479 -2.302 2.515 61 HB VAL 6 HB VAL 6 4.753 -1.515 0.678 62 HG11 VAL 6 HG11 VAL 6 2.679 -0.432 -0.155 63 HG12 VAL 6 HG12 VAL 6 2.431 0.277 1.454 64 HG13 VAL 6 HG13 VAL 6 3.859 0.705 0.487 65 HG21 VAL 6 HG21 VAL 6 4.934 0.282 2.467 66 HG22 VAL 6 HG22 VAL 6 3.859 -0.697 3.454 67 HG23 VAL 6 HG23 VAL 6 5.431 -1.362 2.944 68 H ALA 7 H ALA 7 0.581 -2.142 1.496 69 HA ALA 7 HA ALA 7 0.200 -3.877 -0.867 70 HB1 ALA 7 HB1 ALA 7 -0.978 -4.427 1.257 71 HB2 ALA 7 HB2 ALA 7 -1.750 -2.833 1.241 72 HB3 ALA 7 HB3 ALA 7 -2.132 -4.015 -0.020 73 H ILE 8 H ILE 8 0.755 -2.336 -2.570 74 HA ILE 8 HA ILE 8 -0.419 0.334 -2.421 75 HB ILE 8 HB ILE 8 1.362 -0.899 -4.556 76 HG12 ILE 8 HG12 ILE 8 1.890 0.534 -1.937 77 HG13 ILE 8 HG13 ILE 8 2.475 -1.057 -2.441 78 HG21 ILE 8 HG21 ILE 8 1.880 1.448 -5.153 79 HG22 ILE 8 HG22 ILE 8 0.161 1.136 -5.343 80 HG23 ILE 8 HG23 ILE 8 0.749 2.027 -3.916 81 HD11 ILE 8 HD11 ILE 8 3.898 0.128 -4.167 82 HD12 ILE 8 HD12 ILE 8 3.391 1.633 -3.347 83 HD13 ILE 8 HD13 ILE 8 4.309 0.431 -2.467 84 H SER 9 H SER 9 -2.177 1.117 -3.460 85 HA SER 9 HA SER 9 -3.956 -0.672 -4.859 86 HB2 SER 9 HB2 SER 9 -5.278 1.498 -5.049 87 HB3 SER 9 HB3 SER 9 -4.811 1.038 -3.403 88 HG SER 9 HG SER 9 -3.302 2.750 -5.048 89 H MET 10 H MET 10 -3.076 -1.440 -6.823 90 HA MET 10 HA MET 10 -2.081 0.539 -8.802 91 HB2 MET 10 HB2 MET 10 -1.927 -2.481 -8.753 92 HB3 MET 10 HB3 MET 10 -1.263 -1.435 -9.999 93 HG2 MET 10 HG2 MET 10 -0.104 -0.321 -7.803 94 HG3 MET 10 HG3 MET 10 -0.320 -1.957 -7.217 95 HE1 MET 10 HE1 MET 10 0.969 0.053 -10.329 96 HE2 MET 10 HE2 MET 10 2.295 -0.952 -10.925 97 HE3 MET 10 HE3 MET 10 0.630 -1.470 -11.185 98 H ASP 11 H ASP 11 -2.745 0.307 -11.046 99 HA ASP 11 HA ASP 11 -5.529 -0.761 -11.391 100 HB2 ASP 11 HB2 ASP 11 -4.620 1.735 -12.048 101 HB3 ASP 11 HB3 ASP 11 -4.332 0.885 -13.544 102 H VAL 12 H VAL 12 -2.486 -0.387 -13.361 103 HA VAL 12 HA VAL 12 -2.601 -3.243 -14.060 104 HB VAL 12 HB VAL 12 -2.512 -0.972 -16.100 105 HG11 VAL 12 HG11 VAL 12 -2.487 -2.774 -17.767 106 HG12 VAL 12 HG12 VAL 12 -1.073 -2.863 -16.717 107 HG13 VAL 12 HG13 VAL 12 -2.425 -3.980 -16.457 108 HG21 VAL 12 HG21 VAL 12 -4.689 -3.030 -15.557 109 HG22 VAL 12 HG22 VAL 12 -4.833 -1.268 -15.396 110 HG23 VAL 12 HG23 VAL 12 -4.624 -1.983 -16.989 111 H ASP 13 H ASP 13 -1.019 -0.112 -14.755 112 HA ASP 13 HA ASP 13 1.592 -1.434 -14.345 113 HB2 ASP 13 HB2 ASP 13 0.517 -0.926 -16.692 114 HB3 ASP 13 HB3 ASP 13 0.969 0.736 -16.364 115 H LYS 14 H LYS 14 -0.257 0.811 -12.939 116 HA LYS 14 HA LYS 14 1.798 2.248 -11.612 117 HB2 LYS 14 HB2 LYS 14 1.077 4.538 -12.396 118 HB3 LYS 14 HB3 LYS 14 1.959 3.560 -13.558 119 HG2 LYS 14 HG2 LYS 14 -0.425 2.925 -14.467 120 HG3 LYS 14 HG3 LYS 14 -0.988 4.305 -13.557 121 HD2 LYS 14 HD2 LYS 14 -0.530 5.043 -15.816 122 HD3 LYS 14 HD3 LYS 14 0.857 5.619 -14.877 123 HE2 LYS 14 HE2 LYS 14 2.160 3.576 -15.577 124 HE3 LYS 14 HE3 LYS 14 0.752 3.001 -16.480 125 HZ1 LYS 14 HZ1 LYS 14 0.981 4.921 -17.932 126 HZ2 LYS 14 HZ2 LYS 14 2.378 4.061 -17.895 127 HZ3 LYS 14 HZ3 LYS 14 2.276 5.456 -17.073 128 H ILE 15 H ILE 15 0.484 4.184 -10.340 129 HA ILE 15 HA ILE 15 -1.321 2.721 -8.646 130 HB ILE 15 HB ILE 15 -0.580 5.665 -8.843 131 HG12 ILE 15 HG12 ILE 15 0.319 3.490 -6.891 132 HG13 ILE 15 HG13 ILE 15 1.262 4.046 -8.273 133 HG21 ILE 15 HG21 ILE 15 -2.770 5.484 -7.714 134 HG22 ILE 15 HG22 ILE 15 -2.088 4.290 -6.586 135 HG23 ILE 15 HG23 ILE 15 -1.513 5.969 -6.587 136 HD11 ILE 15 HD11 ILE 15 1.333 6.341 -7.291 137 HD12 ILE 15 HD12 ILE 15 0.586 5.675 -5.807 138 HD13 ILE 15 HD13 ILE 15 2.164 5.082 -6.340 139 H SER 16 H SER 16 -3.559 2.894 -8.432 140 HA SER 16 HA SER 16 -5.061 3.475 -10.871 141 HB2 SER 16 HB2 SER 16 -5.968 1.654 -9.848 142 HB3 SER 16 HB3 SER 16 -5.555 2.167 -8.231 143 HG SER 16 HG SER 16 -7.906 2.254 -9.241 144 H ASN 17 H ASN 17 -6.182 4.501 -7.782 145 HA ASN 17 HA ASN 17 -6.337 7.375 -8.187 146 HB2 ASN 17 HB2 ASN 17 -7.818 6.900 -9.960 147 HB3 ASN 17 HB3 ASN 17 -8.425 5.414 -9.245 148 HD21 ASN 17 HD21 ASN 17 -8.794 9.032 -9.161 149 HD22 ASN 17 HD22 ASN 17 -10.231 8.929 -8.183 150 H SER 18 H SER 18 -7.858 4.344 -6.749 151 HA SER 18 HA SER 18 -7.515 5.510 -4.111 152 HB2 SER 18 HB2 SER 18 -9.984 5.231 -3.565 153 HB3 SER 18 HB3 SER 18 -9.565 6.617 -4.577 154 HG SER 18 HG SER 18 -10.365 5.579 -6.372 155 H PHE 19 H PHE 19 -8.316 3.928 -2.448 156 HA PHE 19 HA PHE 19 -7.265 1.327 -2.956 157 HB2 PHE 19 HB2 PHE 19 -7.276 2.583 -0.795 158 HB3 PHE 19 HB3 PHE 19 -9.002 2.350 -0.690 159 HD1 PHE 19 HD2 PHE 19 -9.955 0.133 -0.155 160 HD2 PHE 19 HD1 PHE 19 -5.691 0.746 -0.377 161 HE1 PHE 19 HE2 PHE 19 -9.588 -1.984 1.069 162 HE2 PHE 19 HE1 PHE 19 -5.327 -1.423 0.729 163 HZ PHE 19 HZ PHE 19 -7.261 -2.794 1.492 164 H GLU 20 H GLU 20 -10.640 2.592 -2.968 165 HA GLU 20 HA GLU 20 -11.679 -0.097 -3.428 166 HB2 GLU 20 HB2 GLU 20 -12.884 2.552 -2.759 167 HB3 GLU 20 HB3 GLU 20 -13.917 1.279 -3.403 168 HG2 GLU 20 HG2 GLU 20 -12.052 0.706 -1.112 169 HG3 GLU 20 HG3 GLU 20 -13.612 1.457 -0.832 170 H ASP 21 H ASP 21 -10.230 1.948 -5.513 171 HA ASP 21 HA ASP 21 -11.878 0.899 -7.755 172 HB2 ASP 21 HB2 ASP 21 -12.037 3.472 -7.063 173 HB3 ASP 21 HB3 ASP 21 -10.579 3.585 -8.044 174 H CYS 22 H CYS 22 -9.334 0.143 -6.331 175 HA CYS 22 HA CYS 22 -7.402 0.183 -8.558 176 HB2 CYS 22 HB2 CYS 22 -5.849 -0.762 -7.029 177 HB3 CYS 22 HB3 CYS 22 -6.691 0.533 -6.164 178 HG CYS 22 HG CYS 22 -8.293 -1.010 -4.777 179 H LYS 23 H LYS 23 -6.429 -1.911 -9.032 180 HA LYS 23 HA LYS 23 -8.568 -3.936 -9.643 181 HB2 LYS 23 HB2 LYS 23 -6.028 -2.969 -10.948 182 HB3 LYS 23 HB3 LYS 23 -6.709 -4.528 -11.393 183 HG2 LYS 23 HG2 LYS 23 -7.369 -2.750 -12.972 184 HG3 LYS 23 HG3 LYS 23 -8.706 -3.593 -12.180 185 HD2 LYS 23 HD2 LYS 23 -9.090 -1.629 -10.719 186 HD3 LYS 23 HD3 LYS 23 -7.723 -0.808 -11.461 187 HE2 LYS 23 HE2 LYS 23 -9.805 -0.023 -12.411 188 HE3 LYS 23 HE3 LYS 23 -8.954 -0.958 -13.658 189 HZ1 LYS 23 HZ1 LYS 23 -11.381 -1.469 -13.318 190 HZ2 LYS 23 HZ2 LYS 23 -11.016 -2.075 -11.847 191 HZ3 LYS 23 HZ3 LYS 23 -10.400 -2.801 -13.194 192 H TYR 24 H TYR 24 -5.307 -3.400 -8.260 193 HA TYR 24 HA TYR 24 -5.654 -5.820 -6.790 194 HB2 TYR 24 HB2 TYR 24 -3.560 -6.880 -7.446 195 HB3 TYR 24 HB3 TYR 24 -4.631 -6.773 -8.816 196 HD1 TYR 24 HD2 TYR 24 -4.129 -5.353 -10.745 197 HD2 TYR 24 HD1 TYR 24 -1.434 -5.645 -7.383 198 HE1 TYR 24 HE2 TYR 24 -2.281 -4.502 -12.153 199 HE2 TYR 24 HE1 TYR 24 0.387 -4.807 -8.759 200 HH TYR 24 HH TYR 24 0.008 -3.914 -12.230 201 H PHE 25 H PHE 25 -4.088 -6.027 -5.158 202 HA PHE 25 HA PHE 25 -2.749 -3.526 -4.335 203 HB2 PHE 25 HB2 PHE 25 -3.407 -6.019 -2.732 204 HB3 PHE 25 HB3 PHE 25 -2.647 -4.553 -2.132 205 HD1 PHE 25 HD1 PHE 25 -3.908 -2.343 -2.383 206 HD2 PHE 25 HD2 PHE 25 -5.794 -6.166 -2.994 207 HE1 PHE 25 HE1 PHE 25 -6.167 -1.284 -2.202 208 HE2 PHE 25 HE2 PHE 25 -8.039 -5.089 -2.804 209 HZ PHE 25 HZ PHE 25 -8.211 -2.662 -2.343 210 H LEU 26 H LEU 26 -0.701 -3.459 -5.005 211 HA LEU 26 HA LEU 26 0.835 -5.921 -5.564 212 HB2 LEU 26 HB2 LEU 26 1.033 -3.806 -6.918 213 HB3 LEU 26 HB3 LEU 26 1.756 -3.020 -5.533 214 HG LEU 26 HG LEU 26 3.444 -3.611 -7.083 215 HD11 LEU 26 HD11 LEU 26 4.975 -4.696 -5.761 216 HD12 LEU 26 HD12 LEU 26 3.767 -5.784 -5.028 217 HD13 LEU 26 HD13 LEU 26 3.829 -4.051 -4.598 218 HD21 LEU 26 HD21 LEU 26 2.520 -6.521 -7.033 219 HD22 LEU 26 HD22 LEU 26 3.980 -5.905 -7.812 220 HD23 LEU 26 HD23 LEU 26 2.409 -5.382 -8.389 221 H ILE 27 H ILE 27 1.521 -7.024 -3.651 222 HA ILE 27 HA ILE 27 2.099 -5.465 -1.219 223 HB ILE 27 HB ILE 27 2.538 -8.426 -1.594 224 HG12 ILE 27 HG12 ILE 27 0.207 -8.201 -1.827 225 HG13 ILE 27 HG13 ILE 27 0.530 -8.717 -0.180 226 HG21 ILE 27 HG21 ILE 27 2.505 -6.700 0.900 227 HG22 ILE 27 HG22 ILE 27 2.651 -8.457 0.860 228 HG23 ILE 27 HG23 ILE 27 3.929 -7.457 0.162 229 HD11 ILE 27 HD11 ILE 27 -0.461 -6.039 -1.167 230 HD12 ILE 27 HD12 ILE 27 -1.140 -7.092 0.086 231 HD13 ILE 27 HD13 ILE 27 0.326 -6.175 0.429 232 H VAL 28 H VAL 28 3.839 -4.216 -1.630 233 HA VAL 28 HA VAL 28 6.285 -5.123 -2.938 234 HB VAL 28 HB VAL 28 5.879 -2.836 -0.963 235 HG11 VAL 28 HG11 VAL 28 7.935 -3.193 -3.183 236 HG12 VAL 28 HG12 VAL 28 7.845 -1.852 -2.030 237 HG13 VAL 28 HG13 VAL 28 8.244 -3.476 -1.455 238 HG21 VAL 28 HG21 VAL 28 5.627 -2.725 -3.996 239 HG22 VAL 28 HG22 VAL 28 4.312 -2.461 -2.811 240 HG23 VAL 28 HG23 VAL 28 5.672 -1.334 -2.896 241 H ARG 29 H ARG 29 7.936 -6.329 -1.897 242 HA ARG 29 HA ARG 29 7.861 -6.405 1.083 243 HB2 ARG 29 HB2 ARG 29 8.931 -8.553 -0.776 244 HB3 ARG 29 HB3 ARG 29 9.041 -8.521 0.980 245 HG2 ARG 29 HG2 ARG 29 6.396 -8.336 0.893 246 HG3 ARG 29 HG3 ARG 29 6.593 -8.940 -0.751 247 HD2 ARG 29 HD2 ARG 29 7.334 -10.248 1.883 248 HD3 ARG 29 HD3 ARG 29 6.195 -10.842 0.661 249 HE ARG 29 HE ARG 29 8.768 -10.654 -0.518 250 HH11 ARG 29 HH11 ARG 29 7.487 -12.402 2.259 251 HH12 ARG 29 HH12 ARG 29 8.687 -13.632 2.174 252 HH21 ARG 29 HH21 ARG 29 10.213 -12.299 -0.748 253 HH22 ARG 29 HH22 ARG 29 10.256 -13.642 0.334 254 H ILE 30 H ILE 30 9.462 -5.167 1.838 255 HA ILE 30 HA ILE 30 11.911 -4.812 0.217 256 HB ILE 30 HB ILE 30 10.580 -2.870 2.133 257 HG12 ILE 30 HG12 ILE 30 11.562 -1.924 -0.520 258 HG13 ILE 30 HG13 ILE 30 10.271 -3.108 -0.634 259 HG21 ILE 30 HG21 ILE 30 12.527 -1.378 1.769 260 HG22 ILE 30 HG22 ILE 30 12.943 -2.856 2.650 261 HG23 ILE 30 HG23 ILE 30 13.341 -2.710 0.928 262 HD11 ILE 30 HD11 ILE 30 9.417 -0.767 -0.504 263 HD12 ILE 30 HD12 ILE 30 8.832 -1.793 0.830 264 HD13 ILE 30 HD13 ILE 30 10.133 -0.621 1.118 265 H ASP 31 H ASP 31 13.467 -5.906 0.996 266 HA ASP 31 HA ASP 31 13.191 -6.985 3.781 267 HB2 ASP 31 HB2 ASP 31 13.879 -8.531 1.276 268 HB3 ASP 31 HB3 ASP 31 13.956 -9.160 2.897 269 H ASP 32 H ASP 32 15.215 -5.408 1.648 270 HA ASP 32 HA ASP 32 17.206 -5.236 3.672 271 HB2 ASP 32 HB2 ASP 32 17.978 -7.349 2.505 272 HB3 ASP 32 HB3 ASP 32 18.168 -6.398 1.032 273 H ASN 33 H ASN 33 15.692 -3.461 3.056 274 HA ASN 33 HA ASN 33 15.185 -1.404 2.363 275 HB2 ASN 33 HB2 ASN 33 17.693 -1.187 3.111 276 HB3 ASN 33 HB3 ASN 33 17.948 -0.758 1.432 277 HD21 ASN 33 HD21 ASN 33 15.608 -0.042 4.153 278 HD22 ASN 33 HD22 ASN 33 15.725 1.684 3.961 279 H GLU 34 H GLU 34 16.210 -3.521 -0.037 280 HA GLU 34 HA GLU 34 15.016 -1.770 -2.149 281 HB2 GLU 34 HB2 GLU 34 16.802 -4.219 -2.170 282 HB3 GLU 34 HB3 GLU 34 15.892 -3.718 -3.600 283 HG2 GLU 34 HG2 GLU 34 17.073 -1.348 -2.950 284 HG3 GLU 34 HG3 GLU 34 18.318 -2.482 -2.383 285 H VAL 35 H VAL 35 13.471 -2.729 -3.536 286 HA VAL 35 HA VAL 35 11.530 -4.484 -2.362 287 HB VAL 35 HB VAL 35 10.846 -2.743 -3.810 288 HG11 VAL 35 HG11 VAL 35 11.232 -2.563 -6.168 289 HG12 VAL 35 HG12 VAL 35 12.813 -2.637 -5.391 290 HG13 VAL 35 HG13 VAL 35 12.171 -4.057 -6.215 291 HG21 VAL 35 HG21 VAL 35 9.297 -3.930 -5.229 292 HG22 VAL 35 HG22 VAL 35 10.310 -5.384 -5.207 293 HG23 VAL 35 HG23 VAL 35 9.513 -4.843 -3.719 294 H LYS 36 H LYS 36 12.444 -6.326 -1.780 295 HA LYS 36 HA LYS 36 14.097 -7.995 -3.561 296 HB2 LYS 36 HB2 LYS 36 13.416 -7.789 -0.679 297 HB3 LYS 36 HB3 LYS 36 13.478 -9.454 -1.241 298 HG2 LYS 36 HG2 LYS 36 15.608 -8.781 -0.363 299 HG3 LYS 36 HG3 LYS 36 15.734 -9.187 -2.083 300 HD2 LYS 36 HD2 LYS 36 15.848 -6.750 -2.634 301 HD3 LYS 36 HD3 LYS 36 15.631 -6.376 -0.913 302 HE2 LYS 36 HE2 LYS 36 17.948 -6.220 -1.245 303 HE3 LYS 36 HE3 LYS 36 17.678 -7.776 -0.436 304 HZ1 LYS 36 HZ1 LYS 36 18.157 -7.382 -3.331 305 HZ2 LYS 36 HZ2 LYS 36 17.976 -8.855 -2.605 306 HZ3 LYS 36 HZ3 LYS 36 19.263 -7.901 -2.246 307 H SER 37 H SER 37 10.673 -7.814 -2.722 308 HA SER 37 HA SER 37 10.262 -9.823 -4.760 309 HB2 SER 37 HB2 SER 37 8.732 -10.295 -2.218 310 HB3 SER 37 HB3 SER 37 8.935 -11.354 -3.609 311 HG SER 37 HG SER 37 11.302 -11.167 -2.871 312 H THR 38 H THR 38 8.009 -9.673 -5.555 313 HA THR 38 HA THR 38 6.298 -7.786 -4.098 314 HB THR 38 HB THR 38 5.361 -7.031 -6.309 315 HG1 THR 38 HG1 THR 38 7.197 -7.103 -7.938 316 HG21 THR 38 HG21 THR 38 6.996 -5.695 -4.884 317 HG22 THR 38 HG22 THR 38 6.964 -5.277 -6.591 318 HG23 THR 38 HG23 THR 38 8.289 -6.280 -5.954 319 H LYS 39 H LYS 39 4.042 -8.233 -4.409 320 HA LYS 39 HA LYS 39 3.277 -10.793 -5.658 321 HB2 LYS 39 HB2 LYS 39 3.024 -9.939 -2.785 322 HB3 LYS 39 HB3 LYS 39 1.520 -10.460 -3.501 323 HG2 LYS 39 HG2 LYS 39 2.279 -12.179 -2.336 324 HG3 LYS 39 HG3 LYS 39 2.646 -12.667 -3.999 325 HD2 LYS 39 HD2 LYS 39 4.892 -11.255 -2.666 326 HD3 LYS 39 HD3 LYS 39 4.365 -12.644 -1.739 327 HE2 LYS 39 HE2 LYS 39 5.192 -12.718 -4.669 328 HE3 LYS 39 HE3 LYS 39 6.209 -13.183 -3.295 329 HZ1 LYS 39 HZ1 LYS 39 4.537 -14.904 -2.784 330 HZ2 LYS 39 HZ2 LYS 39 5.282 -15.124 -4.237 331 HZ3 LYS 39 HZ3 LYS 39 3.747 -14.551 -4.190 332 H VAL 40 H VAL 40 1.028 -10.759 -6.188 333 HA VAL 40 HA VAL 40 -0.204 -8.037 -6.372 334 HB VAL 40 HB VAL 40 -0.044 -10.348 -8.342 335 HG11 VAL 40 HG11 VAL 40 -1.900 -7.978 -8.538 336 HG12 VAL 40 HG12 VAL 40 -1.574 -9.146 -9.822 337 HG13 VAL 40 HG13 VAL 40 -2.389 -9.675 -8.348 338 HG21 VAL 40 HG21 VAL 40 0.749 -8.485 -9.835 339 HG22 VAL 40 HG22 VAL 40 0.675 -7.380 -8.460 340 HG23 VAL 40 HG23 VAL 40 1.815 -8.737 -8.450 341 H ILE 41 H ILE 41 -2.247 -8.041 -5.451 342 HA ILE 41 HA ILE 41 -3.652 -10.623 -4.931 343 HB ILE 41 HB ILE 41 -3.475 -8.147 -3.161 344 HG12 ILE 41 HG12 ILE 41 -2.392 -10.951 -2.693 345 HG13 ILE 41 HG13 ILE 41 -1.451 -9.482 -2.937 346 HG21 ILE 41 HG21 ILE 41 -5.729 -9.213 -3.201 347 HG22 ILE 41 HG22 ILE 41 -4.985 -10.737 -2.646 348 HG23 ILE 41 HG23 ILE 41 -4.964 -9.279 -1.628 349 HD11 ILE 41 HD11 ILE 41 -3.189 -10.133 -0.523 350 HD12 ILE 41 HD12 ILE 41 -1.445 -9.886 -0.582 351 HD13 ILE 41 HD13 ILE 41 -2.537 -8.517 -0.870 352 H PHE 42 H PHE 42 -5.136 -10.507 -6.605 353 HA PHE 42 HA PHE 42 -6.025 -8.039 -7.783 354 HB2 PHE 42 HB2 PHE 42 -7.290 -10.803 -7.862 355 HB3 PHE 42 HB3 PHE 42 -7.744 -9.438 -8.873 356 HD1 PHE 42 HD2 PHE 42 -5.769 -8.284 -10.218 357 HD2 PHE 42 HD1 PHE 42 -5.707 -12.339 -8.744 358 HE1 PHE 42 HE2 PHE 42 -3.929 -8.823 -11.783 359 HE2 PHE 42 HE1 PHE 42 -3.894 -12.887 -10.377 360 HZ PHE 42 HZ PHE 42 -2.979 -11.116 -11.859 361 H ASN 43 H ASN 43 -7.782 -6.851 -7.423 362 HA ASN 43 HA ASN 43 -9.001 -6.872 -4.769 363 HB2 ASN 43 HB2 ASN 43 -8.331 -4.759 -5.812 364 HB3 ASN 43 HB3 ASN 43 -9.378 -5.090 -7.208 365 HD21 ASN 43 HD21 ASN 43 -10.444 -3.002 -6.696 366 HD22 ASN 43 HD22 ASN 43 -11.678 -3.026 -5.441 367 H ASP 44 H ASP 44 -10.011 -8.896 -4.863 368 HA ASP 44 HA ASP 44 -12.466 -9.160 -6.560 369 HB2 ASP 44 HB2 ASP 44 -10.417 -10.424 -7.341 370 HB3 ASP 44 HB3 ASP 44 -10.479 -11.380 -5.867 371 H GLU 45 H GLU 45 -12.370 -8.205 -3.866 372 HA GLU 45 HA GLU 45 -13.215 -8.474 -1.773 373 HB2 GLU 45 HB2 GLU 45 -15.198 -9.305 -2.941 374 HB3 GLU 45 HB3 GLU 45 -14.541 -10.913 -2.989 375 HG2 GLU 45 HG2 GLU 45 -16.044 -11.064 -1.255 376 HG3 GLU 45 HG3 GLU 45 -14.498 -10.928 -0.432 377 H SER 46 H SER 46 -12.570 -11.843 -2.739 378 HA SER 46 HA SER 46 -11.444 -12.785 -0.342 379 HB2 SER 46 HB2 SER 46 -12.306 -14.109 -2.332 380 HB3 SER 46 HB3 SER 46 -10.879 -13.637 -3.246 381 HG SER 46 HG SER 46 -9.605 -14.839 -1.880 382 H GLY 47 H GLY 47 -9.954 -10.931 -2.985 383 HA2 GLY 47 HA2 GLY 47 -7.225 -11.328 -2.316 384 HA3 GLY 47 HA3 GLY 47 -7.903 -9.845 -3.021 385 H LYS 48 H LYS 48 -9.509 -8.799 -1.150 386 HA LYS 48 HA LYS 48 -7.655 -7.522 0.626 387 HB2 LYS 48 HB2 LYS 48 -10.698 -7.567 0.464 388 HB3 LYS 48 HB3 LYS 48 -9.826 -6.612 1.671 389 HG2 LYS 48 HG2 LYS 48 -8.876 -5.165 0.102 390 HG3 LYS 48 HG3 LYS 48 -9.002 -6.337 -1.209 391 HD2 LYS 48 HD2 LYS 48 -10.515 -4.609 -1.670 392 HD3 LYS 48 HD3 LYS 48 -11.439 -6.060 -1.299 393 HE2 LYS 48 HE2 LYS 48 -12.115 -5.194 0.857 394 HE3 LYS 48 HE3 LYS 48 -10.945 -3.864 0.757 395 HZ1 LYS 48 HZ1 LYS 48 -13.251 -3.195 0.171 396 HZ2 LYS 48 HZ2 LYS 48 -13.167 -4.178 -1.162 397 HZ3 LYS 48 HZ3 LYS 48 -12.170 -2.913 -1.025 398 H LYS 49 H LYS 49 -9.790 -10.367 1.058 399 HA LYS 49 HA LYS 49 -9.827 -10.411 3.876 400 HB2 LYS 49 HB2 LYS 49 -10.872 -12.377 3.645 401 HB3 LYS 49 HB3 LYS 49 -10.890 -11.949 1.953 402 HG2 LYS 49 HG2 LYS 49 -8.659 -13.215 1.763 403 HG3 LYS 49 HG3 LYS 49 -9.007 -13.758 3.378 404 HD2 LYS 49 HD2 LYS 49 -10.542 -14.312 0.827 405 HD3 LYS 49 HD3 LYS 49 -9.640 -15.463 1.792 406 HE2 LYS 49 HE2 LYS 49 -11.312 -15.128 3.659 407 HE3 LYS 49 HE3 LYS 49 -12.188 -13.997 2.613 408 HZ1 LYS 49 HZ1 LYS 49 -11.892 -16.907 2.235 409 HZ2 LYS 49 HZ2 LYS 49 -12.312 -15.915 1.006 410 HZ3 LYS 49 HZ3 LYS 49 -13.270 -15.975 2.313 411 H SER 50 H SER 50 -7.322 -11.466 1.598 412 HA SER 50 HA SER 50 -5.770 -12.845 3.539 413 HB2 SER 50 HB2 SER 50 -5.877 -12.714 0.754 414 HB3 SER 50 HB3 SER 50 -4.434 -11.752 1.080 415 HG SER 50 HG SER 50 -5.000 -14.443 1.728 416 H ILE 51 H ILE 51 -5.899 -9.509 2.457 417 HA ILE 51 HA ILE 51 -3.293 -8.728 3.315 418 HB ILE 51 HB ILE 51 -5.839 -7.063 2.894 419 HG12 ILE 51 HG12 ILE 51 -3.612 -7.807 0.940 420 HG13 ILE 51 HG13 ILE 51 -5.272 -8.407 0.875 421 HG21 ILE 51 HG21 ILE 51 -2.920 -6.261 2.763 422 HG22 ILE 51 HG22 ILE 51 -4.325 -5.210 2.515 423 HG23 ILE 51 HG23 ILE 51 -4.034 -5.874 4.113 424 HD11 ILE 51 HD11 ILE 51 -4.318 -5.605 0.278 425 HD12 ILE 51 HD12 ILE 51 -5.183 -6.751 -0.752 426 HD13 ILE 51 HD13 ILE 51 -6.029 -5.972 0.606 427 H VAL 52 H VAL 52 -6.572 -8.649 4.826 428 HA VAL 52 HA VAL 52 -5.775 -7.450 7.288 429 HB VAL 52 HB VAL 52 -8.012 -9.480 6.983 430 HG11 VAL 52 HG11 VAL 52 -7.714 -6.924 8.659 431 HG12 VAL 52 HG12 VAL 52 -9.172 -7.923 8.604 432 HG13 VAL 52 HG13 VAL 52 -7.688 -8.569 9.290 433 HG21 VAL 52 HG21 VAL 52 -8.004 -6.579 6.087 434 HG22 VAL 52 HG22 VAL 52 -8.366 -8.039 5.127 435 HG23 VAL 52 HG23 VAL 52 -9.486 -7.528 6.372 436 H LYS 53 H LYS 53 -4.908 -10.560 6.007 437 HA LYS 53 HA LYS 53 -4.336 -11.526 8.747 438 HB2 LYS 53 HB2 LYS 53 -4.872 -12.963 6.146 439 HB3 LYS 53 HB3 LYS 53 -3.938 -13.734 7.416 440 HG2 LYS 53 HG2 LYS 53 -6.020 -14.544 7.873 441 HG3 LYS 53 HG3 LYS 53 -5.897 -13.208 9.009 442 HD2 LYS 53 HD2 LYS 53 -7.212 -11.800 7.365 443 HD3 LYS 53 HD3 LYS 53 -7.427 -13.244 6.371 444 HE2 LYS 53 HE2 LYS 53 -8.277 -13.004 9.300 445 HE3 LYS 53 HE3 LYS 53 -9.331 -12.631 7.935 446 HZ1 LYS 53 HZ1 LYS 53 -8.136 -15.281 8.498 447 HZ2 LYS 53 HZ2 LYS 53 -9.077 -14.929 7.203 448 HZ3 LYS 53 HZ3 LYS 53 -9.713 -14.858 8.703 449 H GLU 54 H GLU 54 -2.744 -10.009 6.056 450 HA GLU 54 HA GLU 54 -0.362 -11.645 6.300 451 HB2 GLU 54 HB2 GLU 54 0.315 -10.685 4.375 452 HB3 GLU 54 HB3 GLU 54 -1.410 -10.804 4.157 453 HG2 GLU 54 HG2 GLU 54 -1.569 -8.358 4.496 454 HG3 GLU 54 HG3 GLU 54 0.155 -8.283 4.854 455 H ASN 55 H ASN 55 -1.464 -8.816 7.818 456 HA ASN 55 HA ASN 55 -0.521 -7.206 9.096 457 HB2 ASN 55 HB2 ASN 55 1.974 -8.868 9.429 458 HB3 ASN 55 HB3 ASN 55 1.326 -7.641 10.493 459 HD21 ASN 55 HD21 ASN 55 1.740 -10.892 10.328 460 HD22 ASN 55 HD22 ASN 55 0.370 -11.399 11.303 461 H VAL 56 H VAL 56 -0.538 -6.554 6.574 462 HA VAL 56 HA VAL 56 1.784 -5.428 5.412 463 HB VAL 56 HB VAL 56 -0.607 -3.677 5.869 464 HG11 VAL 56 HG11 VAL 56 1.287 -3.002 4.433 465 HG12 VAL 56 HG12 VAL 56 0.943 -4.359 3.344 466 HG13 VAL 56 HG13 VAL 56 -0.245 -3.045 3.557 467 HG21 VAL 56 HG21 VAL 56 -0.778 -6.036 3.975 468 HG22 VAL 56 HG22 VAL 56 -1.784 -5.796 5.433 469 HG23 VAL 56 HG23 VAL 56 -1.902 -4.667 4.084 470 H ASN 57 H ASN 57 3.060 -3.740 5.858 471 HA ASN 57 HA ASN 57 3.237 -2.712 8.617 472 HB2 ASN 57 HB2 ASN 57 5.004 -3.094 6.412 473 HB3 ASN 57 HB3 ASN 57 4.860 -1.381 6.619 474 HD21 ASN 57 HD21 ASN 57 6.167 -0.539 8.202 475 HD22 ASN 57 HD22 ASN 57 6.980 -1.495 9.457 476 H ALA 58 H ALA 58 2.484 -1.500 5.291 477 HA ALA 58 HA ALA 58 0.803 0.604 6.401 478 HB1 ALA 58 HB1 ALA 58 3.119 1.475 6.682 479 HB2 ALA 58 HB2 ALA 58 3.427 1.203 4.958 480 HB3 ALA 58 HB3 ALA 58 2.211 2.396 5.476 481 H ILE 59 H ILE 59 -0.293 1.808 4.622 482 HA ILE 59 HA ILE 59 -0.243 0.403 1.978 483 HB ILE 59 HB ILE 59 -2.460 2.056 3.265 484 HG12 ILE 59 HG12 ILE 59 -2.448 -0.973 2.846 485 HG13 ILE 59 HG13 ILE 59 -1.991 -0.214 4.367 486 HG21 ILE 59 HG21 ILE 59 -2.704 2.202 0.882 487 HG22 ILE 59 HG22 ILE 59 -2.266 0.498 0.657 488 HG23 ILE 59 HG23 ILE 59 -3.817 0.924 1.356 489 HD11 ILE 59 HD11 ILE 59 -4.222 0.924 4.473 490 HD12 ILE 59 HD12 ILE 59 -4.720 -0.076 3.096 491 HD13 ILE 59 HD13 ILE 59 -4.243 -0.833 4.628 492 H ILE 60 H ILE 60 -0.220 1.735 0.091 493 HA ILE 60 HA ILE 60 0.178 4.645 0.429 494 HB ILE 60 HB ILE 60 1.470 2.871 -1.689 495 HG12 ILE 60 HG12 ILE 60 2.659 4.325 0.692 496 HG13 ILE 60 HG13 ILE 60 2.554 2.582 0.503 497 HG21 ILE 60 HG21 ILE 60 2.580 4.959 -2.420 498 HG22 ILE 60 HG22 ILE 60 0.838 5.121 -2.517 499 HG23 ILE 60 HG23 ILE 60 1.720 5.866 -1.158 500 HD11 ILE 60 HD11 ILE 60 4.078 2.715 -1.479 501 HD12 ILE 60 HD12 ILE 60 4.356 4.422 -1.089 502 HD13 ILE 60 HD13 ILE 60 4.797 3.161 0.070 503 H CYS 61 H CYS 61 -1.565 5.637 -0.446 504 HA CYS 61 HA CYS 61 -2.626 4.702 -2.989 505 HB2 CYS 61 HB2 CYS 61 -5.000 4.985 -2.231 506 HB3 CYS 61 HB3 CYS 61 -4.223 3.596 -1.516 507 HG CYS 61 HG CYS 61 -4.178 6.588 -0.066 508 H LYS 62 H LYS 62 -4.077 6.498 -3.891 509 HA LYS 62 HA LYS 62 -3.366 9.217 -2.929 510 HB2 LYS 62 HB2 LYS 62 -5.445 8.235 -4.918 511 HB3 LYS 62 HB3 LYS 62 -5.158 9.927 -4.513 512 HG2 LYS 62 HG2 LYS 62 -2.861 9.717 -5.401 513 HG3 LYS 62 HG3 LYS 62 -3.200 8.049 -5.898 514 HD2 LYS 62 HD2 LYS 62 -5.252 9.062 -7.139 515 HD3 LYS 62 HD3 LYS 62 -4.466 10.631 -6.890 516 HE2 LYS 62 HE2 LYS 62 -3.140 8.265 -8.307 517 HE3 LYS 62 HE3 LYS 62 -4.127 9.467 -9.144 518 HZ1 LYS 62 HZ1 LYS 62 -1.766 9.904 -9.242 519 HZ2 LYS 62 HZ2 LYS 62 -1.725 10.186 -7.602 520 HZ3 LYS 62 HZ3 LYS 62 -2.585 11.161 -8.604 521 H ASN 63 H ASN 63 -6.296 7.007 -2.962 522 HA ASN 63 HA ASN 63 -7.282 8.584 -0.671 523 HB2 ASN 63 HB2 ASN 63 -8.658 8.346 -3.364 524 HB3 ASN 63 HB3 ASN 63 -9.553 8.680 -1.896 525 HD21 ASN 63 HD21 ASN 63 -7.992 10.232 -4.438 526 HD22 ASN 63 HD22 ASN 63 -7.547 11.725 -3.626 527 H ILE 64 H ILE 64 -9.143 7.679 0.328 528 HA ILE 64 HA ILE 64 -9.628 4.804 0.018 529 HB ILE 64 HB ILE 64 -7.572 4.863 1.224 530 HG12 ILE 64 HG12 ILE 64 -9.927 4.383 3.077 531 HG13 ILE 64 HG13 ILE 64 -9.181 3.232 1.960 532 HG21 ILE 64 HG21 ILE 64 -8.739 6.762 3.279 533 HG22 ILE 64 HG22 ILE 64 -7.078 6.120 3.207 534 HG23 ILE 64 HG23 ILE 64 -7.616 7.262 2.007 535 HD11 ILE 64 HD11 ILE 64 -7.058 3.416 3.333 536 HD12 ILE 64 HD12 ILE 64 -7.940 4.419 4.459 537 HD13 ILE 64 HD13 ILE 64 -8.439 2.734 4.196 538 H SER 65 H SER 65 -11.724 4.541 0.333 539 HA SER 65 HA SER 65 -13.667 6.369 1.155 540 HB2 SER 65 HB2 SER 65 -13.729 3.374 1.698 541 HB3 SER 65 HB3 SER 65 -15.101 4.405 1.304 542 HG SER 65 HG SER 65 -13.867 4.712 -0.821 543 H GLU 66 H GLU 66 -14.585 6.871 3.119 544 HA GLU 66 HA GLU 66 -13.207 7.025 5.439 545 HB2 GLU 66 HB2 GLU 66 -15.387 8.165 4.742 546 HB3 GLU 66 HB3 GLU 66 -16.238 6.690 5.171 547 HG2 GLU 66 HG2 GLU 66 -16.553 8.174 6.949 548 HG3 GLU 66 HG3 GLU 66 -15.450 6.936 7.530 549 H GLU 67 H GLU 67 -15.572 4.437 4.634 550 HA GLU 67 HA GLU 67 -15.471 3.220 7.167 551 HB2 GLU 67 HB2 GLU 67 -16.976 2.792 4.895 552 HB3 GLU 67 HB3 GLU 67 -15.934 1.366 4.856 553 HG2 GLU 67 HG2 GLU 67 -16.440 1.062 7.372 554 HG3 GLU 67 HG3 GLU 67 -17.710 2.259 7.176 555 H ASN 68 H ASN 68 -13.501 2.674 4.292 556 HA ASN 68 HA ASN 68 -12.094 0.347 5.366 557 HB2 ASN 68 HB2 ASN 68 -11.681 2.136 2.968 558 HB3 ASN 68 HB3 ASN 68 -10.341 1.142 3.516 559 HD21 ASN 68 HD21 ASN 68 -11.739 0.895 0.997 560 HD22 ASN 68 HD22 ASN 68 -12.604 -0.611 0.962 561 H TYR 69 H TYR 69 -11.388 3.879 5.190 562 HA TYR 69 HA TYR 69 -8.761 3.708 6.263 563 HB2 TYR 69 HB2 TYR 69 -9.778 5.783 5.309 564 HB3 TYR 69 HB3 TYR 69 -10.837 5.899 6.711 565 HD1 TYR 69 HD1 TYR 69 -9.824 6.281 9.016 566 HD2 TYR 69 HD2 TYR 69 -7.464 6.495 5.413 567 HE1 TYR 69 HE1 TYR 69 -7.985 7.195 10.303 568 HE2 TYR 69 HE2 TYR 69 -5.601 7.497 6.696 569 HH TYR 69 HH TYR 69 -5.867 8.394 10.102 570 H LYS 70 H LYS 70 -11.828 4.207 7.969 571 HA LYS 70 HA LYS 70 -10.737 4.067 10.597 572 HB2 LYS 70 HB2 LYS 70 -13.525 3.670 9.430 573 HB3 LYS 70 HB3 LYS 70 -13.220 3.696 11.173 574 HG2 LYS 70 HG2 LYS 70 -12.253 5.968 10.969 575 HG3 LYS 70 HG3 LYS 70 -12.555 5.953 9.219 576 HD2 LYS 70 HD2 LYS 70 -14.957 5.766 9.569 577 HD3 LYS 70 HD3 LYS 70 -14.700 5.609 11.333 578 HE2 LYS 70 HE2 LYS 70 -13.699 7.834 11.415 579 HE3 LYS 70 HE3 LYS 70 -13.916 8.028 9.668 580 HZ1 LYS 70 HZ1 LYS 70 -16.161 8.228 9.928 581 HZ2 LYS 70 HZ2 LYS 70 -15.631 9.034 11.236 582 HZ3 LYS 70 HZ3 LYS 70 -16.210 7.480 11.414 583 H LYS 71 H LYS 71 -11.310 1.463 8.384 584 HA LYS 71 HA LYS 71 -11.522 -0.586 10.487 585 HB2 LYS 71 HB2 LYS 71 -12.913 -0.554 8.432 586 HB3 LYS 71 HB3 LYS 71 -11.488 -0.763 7.423 587 HG2 LYS 71 HG2 LYS 71 -11.131 -3.001 8.294 588 HG3 LYS 71 HG3 LYS 71 -12.364 -2.723 9.564 589 HD2 LYS 71 HD2 LYS 71 -14.022 -2.285 7.623 590 HD3 LYS 71 HD3 LYS 71 -12.789 -2.993 6.561 591 HE2 LYS 71 HE2 LYS 71 -12.827 -5.070 7.947 592 HE3 LYS 71 HE3 LYS 71 -14.015 -4.322 9.022 593 HZ1 LYS 71 HZ1 LYS 71 -15.466 -4.145 6.957 594 HZ2 LYS 71 HZ2 LYS 71 -15.223 -5.645 7.576 595 HZ3 LYS 71 HZ3 LYS 71 -14.400 -5.195 6.242 596 H PHE 72 H PHE 72 -9.381 0.252 7.718 597 HA PHE 72 HA PHE 72 -7.435 -1.781 8.446 598 HB2 PHE 72 HB2 PHE 72 -7.530 0.411 6.347 599 HB3 PHE 72 HB3 PHE 72 -6.046 -0.467 6.662 600 HD1 PHE 72 HD1 PHE 72 -9.555 -0.871 5.444 601 HD2 PHE 72 HD2 PHE 72 -5.691 -2.719 5.905 602 HE1 PHE 72 HE1 PHE 72 -10.260 -2.727 3.994 603 HE2 PHE 72 HE2 PHE 72 -6.430 -4.621 4.515 604 HZ PHE 72 HZ PHE 72 -8.721 -4.647 3.557 605 H SER 73 H SER 73 -7.746 1.645 9.223 606 HA SER 73 HA SER 73 -5.080 2.189 9.870 607 HB2 SER 73 HB2 SER 73 -6.089 4.029 11.317 608 HB3 SER 73 HB3 SER 73 -6.610 3.997 9.637 609 HG SER 73 HG SER 73 -8.497 3.187 10.145 610 H LYS 74 H LYS 74 -7.129 0.030 11.551 611 HA LYS 74 HA LYS 74 -6.395 0.466 14.190 612 HB2 LYS 74 HB2 LYS 74 -8.202 -1.029 13.342 613 HB3 LYS 74 HB3 LYS 74 -6.984 -2.241 12.911 614 HG2 LYS 74 HG2 LYS 74 -6.454 -2.674 15.190 615 HG3 LYS 74 HG3 LYS 74 -7.086 -1.116 15.713 616 HD2 LYS 74 HD2 LYS 74 -8.595 -2.620 16.549 617 HD3 LYS 74 HD3 LYS 74 -9.427 -1.915 15.177 618 HE2 LYS 74 HE2 LYS 74 -7.914 -4.568 14.976 619 HE3 LYS 74 HE3 LYS 74 -9.538 -4.485 15.652 620 HZ1 LYS 74 HZ1 LYS 74 -8.777 -3.877 12.888 621 HZ2 LYS 74 HZ2 LYS 74 -10.267 -3.470 13.518 622 HZ3 LYS 74 HZ3 LYS 74 -9.771 -5.038 13.473 623 H LYS 75 H LYS 75 -4.536 -1.440 11.760 624 HA LYS 75 HA LYS 75 -2.219 -1.360 13.631 625 HB2 LYS 75 HB2 LYS 75 -3.851 -3.603 13.487 626 HB3 LYS 75 HB3 LYS 75 -2.599 -3.992 12.339 627 HG2 LYS 75 HG2 LYS 75 -1.886 -3.005 15.150 628 HG3 LYS 75 HG3 LYS 75 -2.507 -4.617 14.920 629 HD2 LYS 75 HD2 LYS 75 -0.307 -5.053 14.988 630 HD3 LYS 75 HD3 LYS 75 -0.567 -4.998 13.251 631 HE2 LYS 75 HE2 LYS 75 0.441 -2.724 13.170 632 HE3 LYS 75 HE3 LYS 75 0.507 -2.688 14.936 633 HZ1 LYS 75 HZ1 LYS 75 2.090 -4.501 13.204 634 HZ2 LYS 75 HZ2 LYS 75 2.068 -4.544 14.860 635 HZ3 LYS 75 HZ3 LYS 75 2.635 -3.243 14.086 636 H ILE 76 H ILE 76 -3.120 -0.278 10.868 637 HA ILE 76 HA ILE 76 -0.596 -0.841 9.463 638 HB ILE 76 HB ILE 76 -3.297 -0.847 8.051 639 HG12 ILE 76 HG12 ILE 76 -1.515 -3.282 8.455 640 HG13 ILE 76 HG13 ILE 76 -2.942 -2.977 9.436 641 HG21 ILE 76 HG21 ILE 76 -1.421 -0.009 6.703 642 HG22 ILE 76 HG22 ILE 76 -0.461 -1.451 7.114 643 HG23 ILE 76 HG23 ILE 76 -1.903 -1.583 6.096 644 HD11 ILE 76 HD11 ILE 76 -3.432 -4.553 7.646 645 HD12 ILE 76 HD12 ILE 76 -4.402 -3.073 7.561 646 HD13 ILE 76 HD13 ILE 76 -3.052 -3.326 6.425 647 H GLU 77 H GLU 77 0.188 1.037 8.525 648 HA GLU 77 HA GLU 77 -1.273 3.534 9.159 649 HB2 GLU 77 HB2 GLU 77 1.635 2.874 8.576 650 HB3 GLU 77 HB3 GLU 77 1.014 4.517 8.893 651 HG2 GLU 77 HG2 GLU 77 0.170 3.904 11.046 652 HG3 GLU 77 HG3 GLU 77 0.481 2.200 10.837 653 H ILE 78 H ILE 78 -1.380 5.272 7.543 654 HA ILE 78 HA ILE 78 -1.689 4.095 4.819 655 HB ILE 78 HB ILE 78 -3.675 5.775 6.388 656 HG12 ILE 78 HG12 ILE 78 -3.724 2.815 5.675 657 HG13 ILE 78 HG13 ILE 78 -3.483 3.445 7.285 658 HG21 ILE 78 HG21 ILE 78 -3.710 6.125 3.906 659 HG22 ILE 78 HG22 ILE 78 -3.946 4.376 3.682 660 HG23 ILE 78 HG23 ILE 78 -5.187 5.369 4.490 661 HD11 ILE 78 HD11 ILE 78 -6.033 3.645 5.690 662 HD12 ILE 78 HD12 ILE 78 -5.703 2.653 7.124 663 HD13 ILE 78 HD13 ILE 78 -5.744 4.421 7.276 664 H TYR 79 H TYR 79 -0.503 5.160 3.390 665 HA TYR 79 HA TYR 79 0.318 7.948 3.991 666 HB2 TYR 79 HB2 TYR 79 1.766 5.605 2.743 667 HB3 TYR 79 HB3 TYR 79 2.346 7.244 2.666 668 HD1 TYR 79 HD1 TYR 79 1.564 4.472 5.140 669 HD2 TYR 79 HD2 TYR 79 3.370 8.344 4.487 670 HE1 TYR 79 HE1 TYR 79 2.827 4.248 7.246 671 HE2 TYR 79 HE2 TYR 79 4.534 8.168 6.636 672 HH TYR 79 HH TYR 79 4.553 5.215 8.655 673 H HIS 80 H HIS 80 0.701 9.349 2.292 674 HA HIS 80 HA HIS 80 -1.380 9.082 0.258 675 HB2 HIS 80 HB2 HIS 80 -1.109 10.971 2.039 676 HB3 HIS 80 HB3 HIS 80 0.178 11.558 1.053 677 HD1 HIS 80 HD1 HIS 80 -0.853 13.606 -0.275 678 HD2 HIS 80 HD2 HIS 80 -3.337 10.211 -0.019 679 HE1 HIS 80 HE1 HIS 80 -3.048 14.193 -1.452 680 H ALA 81 H ALA 81 -0.874 8.681 -1.748 681 HA ALA 81 HA ALA 81 1.815 8.373 -2.637 682 HB1 ALA 81 HB1 ALA 81 -0.022 7.003 -3.524 683 HB2 ALA 81 HB2 ALA 81 -0.794 8.441 -4.222 684 HB3 ALA 81 HB3 ALA 81 0.772 7.881 -4.844 685 H GLU 82 H GLU 82 3.131 9.617 -3.836 686 HA GLU 82 HA GLU 82 2.316 12.328 -4.722 687 HB2 GLU 82 HB2 GLU 82 4.879 11.025 -3.810 688 HB3 GLU 82 HB3 GLU 82 5.015 12.278 -5.041 689 HG2 GLU 82 HG2 GLU 82 3.512 12.684 -2.434 690 HG3 GLU 82 HG3 GLU 82 5.219 13.075 -2.667 691 H GLY 83 H GLY 83 1.385 12.062 -6.721 692 HA2 GLY 83 HA2 GLY 83 1.450 11.835 -9.016 693 HA3 GLY 83 HA3 GLY 83 3.089 11.167 -8.908 694 H ASP 84 H ASP 84 1.833 9.854 -10.669 695 HA ASP 84 HA ASP 84 0.245 7.573 -9.590 696 HB2 ASP 84 HB2 ASP 84 1.017 8.487 -12.398 697 HB3 ASP 84 HB3 ASP 84 0.283 6.921 -12.071 698 H ASP 85 H ASP 85 3.418 8.462 -10.017 699 HA ASP 85 HA ASP 85 4.462 6.080 -11.140 700 HB2 ASP 85 HB2 ASP 85 5.451 8.590 -10.860 701 HB3 ASP 85 HB3 ASP 85 6.290 7.828 -9.564 702 H VAL 86 H VAL 86 4.068 4.271 -10.050 703 HA VAL 86 HA VAL 86 4.233 3.707 -7.332 704 HB VAL 86 HB VAL 86 5.041 2.042 -9.761 705 HG11 VAL 86 HG11 VAL 86 4.837 0.020 -8.330 706 HG12 VAL 86 HG12 VAL 86 6.211 1.031 -7.896 707 HG13 VAL 86 HG13 VAL 86 4.754 1.056 -6.882 708 HG21 VAL 86 HG21 VAL 86 2.895 0.957 -9.444 709 HG22 VAL 86 HG22 VAL 86 2.558 1.933 -7.999 710 HG23 VAL 86 HG23 VAL 86 2.651 2.702 -9.601 711 H ASP 87 H ASP 87 6.956 4.066 -9.681 712 HA ASP 87 HA ASP 87 8.849 2.948 -7.875 713 HB2 ASP 87 HB2 ASP 87 9.146 4.555 -10.434 714 HB3 ASP 87 HB3 ASP 87 10.536 4.026 -9.475 715 H LYS 88 H LYS 88 7.965 6.328 -8.689 716 HA LYS 88 HA LYS 88 9.777 7.625 -6.949 717 HB2 LYS 88 HB2 LYS 88 8.277 8.681 -8.700 718 HB3 LYS 88 HB3 LYS 88 6.905 8.447 -7.614 719 HG2 LYS 88 HG2 LYS 88 7.883 10.779 -7.757 720 HG3 LYS 88 HG3 LYS 88 7.617 10.133 -6.136 721 HD2 LYS 88 HD2 LYS 88 9.846 9.813 -5.709 722 HD3 LYS 88 HD3 LYS 88 10.303 9.722 -7.412 723 HE2 LYS 88 HE2 LYS 88 9.494 12.319 -6.049 724 HE3 LYS 88 HE3 LYS 88 11.156 11.724 -6.186 725 HZ1 LYS 88 HZ1 LYS 88 9.393 12.607 -8.345 726 HZ2 LYS 88 HZ2 LYS 88 10.663 11.612 -8.675 727 HZ3 LYS 88 HZ3 LYS 88 10.898 13.100 -8.014 728 H ASN 89 H ASN 89 6.644 6.122 -6.329 729 HA ASN 89 HA ASN 89 6.463 7.194 -3.623 730 HB2 ASN 89 HB2 ASN 89 4.857 5.333 -5.359 731 HB3 ASN 89 HB3 ASN 89 4.507 5.439 -3.625 732 HD21 ASN 89 HD21 ASN 89 4.433 7.159 -6.685 733 HD22 ASN 89 HD22 ASN 89 3.927 8.707 -6.074 734 H ILE 90 H ILE 90 7.632 4.154 -4.994 735 HA ILE 90 HA ILE 90 7.723 2.696 -2.486 736 HB ILE 90 HB ILE 90 9.110 2.406 -5.178 737 HG12 ILE 90 HG12 ILE 90 7.029 0.640 -3.779 738 HG13 ILE 90 HG13 ILE 90 6.736 1.768 -5.064 739 HG21 ILE 90 HG21 ILE 90 9.455 0.507 -2.790 740 HG22 ILE 90 HG22 ILE 90 10.115 0.263 -4.426 741 HG23 ILE 90 HG23 ILE 90 10.716 1.567 -3.453 742 HD11 ILE 90 HD11 ILE 90 6.791 -0.406 -6.011 743 HD12 ILE 90 HD12 ILE 90 8.248 0.452 -6.567 744 HD13 ILE 90 HD13 ILE 90 8.352 -0.783 -5.280 745 H SER 91 H SER 91 10.072 4.642 -4.378 746 HA SER 91 HA SER 91 12.219 4.386 -2.549 747 HB2 SER 91 HB2 SER 91 13.046 6.464 -3.812 748 HB3 SER 91 HB3 SER 91 12.792 4.950 -4.697 749 HG SER 91 HG SER 91 10.976 5.743 -5.646 750 H LEU 92 H LEU 92 9.715 6.963 -2.856 751 HA LEU 92 HA LEU 92 10.770 8.613 -0.763 752 HB2 LEU 92 HB2 LEU 92 7.969 8.238 -1.904 753 HB3 LEU 92 HB3 LEU 92 8.313 9.404 -0.634 754 HG LEU 92 HG LEU 92 9.743 9.469 -3.308 755 HD11 LEU 92 HD11 LEU 92 7.291 11.053 -2.417 756 HD12 LEU 92 HD12 LEU 92 7.294 9.758 -3.632 757 HD13 LEU 92 HD13 LEU 92 8.177 11.269 -3.934 758 HD21 LEU 92 HD21 LEU 92 10.257 11.791 -2.684 759 HD22 LEU 92 HD22 LEU 92 10.912 10.670 -1.482 760 HD23 LEU 92 HD23 LEU 92 9.423 11.571 -1.148 761 H PHE 93 H PHE 93 8.479 5.868 -0.733 762 HA PHE 93 HA PHE 93 7.727 6.104 1.980 763 HB2 PHE 93 HB2 PHE 93 6.459 4.731 0.486 764 HB3 PHE 93 HB3 PHE 93 7.848 3.739 0.082 765 HD1 PHE 93 HD1 PHE 93 5.930 4.816 3.159 766 HD2 PHE 93 HD2 PHE 93 8.158 1.699 1.159 767 HE1 PHE 93 HE1 PHE 93 5.427 3.247 5.019 768 HE2 PHE 93 HE2 PHE 93 7.590 0.121 2.970 769 HZ PHE 93 HZ PHE 93 6.198 0.906 4.907 770 H ILE 94 H ILE 94 10.295 3.925 0.586 771 HA ILE 94 HA ILE 94 11.307 2.880 2.904 772 HB ILE 94 HB ILE 94 12.754 3.728 0.372 773 HG12 ILE 94 HG12 ILE 94 12.014 0.900 1.180 774 HG13 ILE 94 HG13 ILE 94 10.809 1.918 0.417 775 HG21 ILE 94 HG21 ILE 94 14.492 3.432 2.069 776 HG22 ILE 94 HG22 ILE 94 13.756 1.902 2.609 777 HG23 ILE 94 HG23 ILE 94 14.522 2.026 1.022 778 HD11 ILE 94 HD11 ILE 94 12.244 2.250 -1.549 779 HD12 ILE 94 HD12 ILE 94 13.497 1.227 -0.829 780 HD13 ILE 94 HD13 ILE 94 11.924 0.529 -1.250 781 H GLU 95 H GLU 95 12.078 6.158 1.607 782 HA GLU 95 HA GLU 95 13.904 6.744 3.829 783 HB2 GLU 95 HB2 GLU 95 12.851 8.211 1.406 784 HB3 GLU 95 HB3 GLU 95 13.701 9.096 2.680 785 HG2 GLU 95 HG2 GLU 95 14.946 6.567 1.538 786 HG3 GLU 95 HG3 GLU 95 15.021 8.080 0.659 787 H GLY 96 H GLY 96 10.496 6.656 3.633 788 HA2 GLY 96 HA2 GLY 96 9.066 6.985 5.314 789 HA3 GLY 96 HA3 GLY 96 10.320 7.788 6.268 790 H GLU 97 H GLU 97 10.088 9.102 3.022 791 HA GLU 97 HA GLU 97 9.559 11.662 3.965 792 HB2 GLU 97 HB2 GLU 97 10.755 10.317 1.847 793 HB3 GLU 97 HB3 GLU 97 9.299 10.899 1.069 794 HG2 GLU 97 HG2 GLU 97 11.250 12.625 2.656 795 HG3 GLU 97 HG3 GLU 97 11.376 12.239 0.949 796 H LEU 98 H LEU 98 7.430 9.140 2.771 797 HA LEU 98 HA LEU 98 5.486 10.943 1.550 798 HB2 LEU 98 HB2 LEU 98 5.111 8.089 2.534 799 HB3 LEU 98 HB3 LEU 98 3.872 9.029 1.713 800 HG LEU 98 HG LEU 98 6.520 8.140 0.493 801 HD11 LEU 98 HD11 LEU 98 4.784 6.374 0.805 802 HD12 LEU 98 HD12 LEU 98 5.094 6.733 -0.905 803 HD13 LEU 98 HD13 LEU 98 3.635 7.365 -0.121 804 HD21 LEU 98 HD21 LEU 98 5.916 10.304 -0.502 805 HD22 LEU 98 HD22 LEU 98 4.242 9.765 -0.733 806 HD23 LEU 98 HD23 LEU 98 5.551 9.010 -1.651 807 H SER 99 H SER 99 3.661 11.868 2.281 808 HA SER 99 HA SER 99 3.474 12.292 5.159 809 HB2 SER 99 HB2 SER 99 2.230 13.425 2.679 810 HB3 SER 99 HB3 SER 99 1.365 13.599 4.231 811 HG SER 99 HG SER 99 4.024 14.427 3.623 812 H LYS 100 H LYS 100 1.841 11.584 6.467 813 HA LYS 100 HA LYS 100 0.386 9.171 5.635 814 HB2 LYS 100 HB2 LYS 100 0.362 10.750 8.239 815 HB3 LYS 100 HB3 LYS 100 -0.470 9.209 7.965 816 HG2 LYS 100 HG2 LYS 100 1.660 8.108 7.443 817 HG3 LYS 100 HG3 LYS 100 2.538 9.620 7.653 818 HD2 LYS 100 HD2 LYS 100 2.985 8.817 9.666 819 HD3 LYS 100 HD3 LYS 100 1.413 9.512 10.100 820 HE2 LYS 100 HE2 LYS 100 0.343 7.306 9.772 821 HE3 LYS 100 HE3 LYS 100 1.862 6.649 9.119 822 HZ1 LYS 100 HZ1 LYS 100 1.373 7.521 11.885 823 HZ2 LYS 100 HZ2 LYS 100 2.867 7.180 11.280 824 HZ3 LYS 100 HZ3 LYS 100 1.787 5.987 11.355 825 H ILE 101 H ILE 101 -1.891 9.052 5.625 826 HA ILE 101 HA ILE 101 -3.347 11.542 4.959 827 HB ILE 101 HB ILE 101 -4.257 8.626 5.078 828 HG12 ILE 101 HG12 ILE 101 -3.310 10.375 2.772 829 HG13 ILE 101 HG13 ILE 101 -2.594 8.876 3.334 830 HG21 ILE 101 HG21 ILE 101 -6.152 10.179 5.392 831 HG22 ILE 101 HG22 ILE 101 -5.654 11.092 3.945 832 HG23 ILE 101 HG23 ILE 101 -6.245 9.425 3.813 833 HD11 ILE 101 HD11 ILE 101 -3.660 8.352 1.325 834 HD12 ILE 101 HD12 ILE 101 -4.728 7.692 2.583 835 HD13 ILE 101 HD13 ILE 101 -5.146 9.211 1.758 836 H SER 102 H SER 102 -4.985 12.325 6.383 837 HA SER 102 HA SER 102 -5.400 11.001 9.008 838 HB2 SER 102 HB2 SER 102 -4.973 13.999 8.709 839 HB3 SER 102 HB3 SER 102 -5.150 13.066 10.195 840 HG SER 102 HG SER 102 -3.170 12.081 9.766 841 H ASN 103 H ASN 103 -6.365 13.546 6.682 842 HA ASN 103 HA ASN 103 -9.211 13.015 7.264 843 HB2 ASN 103 HB2 ASN 103 -8.023 15.428 7.253 844 HB3 ASN 103 HB3 ASN 103 -8.769 15.374 5.649 845 HD21 ASN 103 HD21 ASN 103 -9.671 14.513 9.167 846 HD22 ASN 103 HD22 ASN 103 -11.295 15.087 8.905 847 HA PRO 104 HA PRO 104 -8.365 10.911 3.236 848 HB2 PRO 104 HB2 PRO 104 -10.167 8.886 3.601 849 HB3 PRO 104 HB3 PRO 104 -8.526 8.867 4.323 850 HG2 PRO 104 HG2 PRO 104 -11.125 9.715 5.621 851 HG3 PRO 104 HG3 PRO 104 -9.861 8.612 6.266 852 HD2 PRO 104 HD2 PRO 104 -9.967 11.281 6.948 853 HD3 PRO 104 HD3 PRO 104 -8.417 10.388 6.744 Start of MODEL 6 1 H1 GLY -2 H GLY -2 22.326 3.042 9.150 2 HA2 GLY -2 HA2 GLY -2 20.190 1.863 9.582 3 HA3 GLY -2 HA3 GLY -2 20.120 2.880 8.122 4 H HIS -1 H HIS -1 18.399 0.710 8.421 5 HA HIS -1 HA HIS -1 18.772 -0.527 5.928 6 HB2 HIS -1 HB2 HIS -1 18.364 -2.925 7.054 7 HB3 HIS -1 HB3 HIS -1 19.960 -2.324 6.682 8 HD1 HIS -1 HD1 HIS -1 17.763 -2.561 9.934 9 HD2 HIS -1 HD2 HIS -1 21.707 -2.221 8.478 10 HE1 HIS -1 HE1 HIS -1 19.284 -2.914 11.924 11 H MET 1 H MET 1 16.697 -1.873 5.554 12 HA MET 1 HA MET 1 14.626 -1.351 7.565 13 HB2 MET 1 HB2 MET 1 14.079 0.291 5.758 14 HB3 MET 1 HB3 MET 1 14.102 -1.047 4.582 15 HG2 MET 1 HG2 MET 1 11.817 -0.494 5.363 16 HG3 MET 1 HG3 MET 1 12.284 -2.175 5.740 17 HE1 MET 1 HE1 MET 1 10.583 -2.706 7.180 18 HE2 MET 1 HE2 MET 1 10.578 -2.357 8.907 19 HE3 MET 1 HE3 MET 1 9.673 -1.302 7.798 20 H ILE 2 H ILE 2 13.428 -3.181 7.932 21 HA ILE 2 HA ILE 2 14.027 -5.569 6.291 22 HB ILE 2 HB ILE 2 14.402 -5.304 9.296 23 HG12 ILE 2 HG12 ILE 2 16.523 -5.536 7.088 24 HG13 ILE 2 HG13 ILE 2 16.234 -4.120 8.104 25 HG21 ILE 2 HG21 ILE 2 15.365 -7.624 9.061 26 HG22 ILE 2 HG22 ILE 2 13.649 -7.472 8.742 27 HG23 ILE 2 HG23 ILE 2 14.787 -7.604 7.369 28 HD11 ILE 2 HD11 ILE 2 18.143 -5.168 8.963 29 HD12 ILE 2 HD12 ILE 2 16.814 -5.457 10.113 30 HD13 ILE 2 HD13 ILE 2 17.367 -6.751 9.000 31 H ASN 3 H ASN 3 12.442 -7.253 6.595 32 HA ASN 3 HA ASN 3 10.379 -8.012 6.733 33 HB2 ASN 3 HB2 ASN 3 11.332 -8.513 8.954 34 HB3 ASN 3 HB3 ASN 3 10.662 -7.012 9.586 35 HD21 ASN 3 HD21 ASN 3 9.885 -10.333 8.530 36 HD22 ASN 3 HD22 ASN 3 8.366 -10.297 9.368 37 H MET 4 H MET 4 9.671 -6.259 5.193 38 HA MET 4 HA MET 4 7.574 -4.538 6.468 39 HB2 MET 4 HB2 MET 4 9.910 -3.621 5.305 40 HB3 MET 4 HB3 MET 4 8.813 -3.676 3.934 41 HG2 MET 4 HG2 MET 4 7.270 -2.139 5.019 42 HG3 MET 4 HG3 MET 4 8.291 -2.115 6.469 43 HE1 MET 4 HE1 MET 4 7.984 0.626 5.807 44 HE2 MET 4 HE2 MET 4 9.658 0.600 6.403 45 HE3 MET 4 HE3 MET 4 9.285 1.402 4.865 46 H LYS 5 H LYS 5 5.774 -4.198 5.185 47 HA LYS 5 HA LYS 5 5.665 -5.334 2.503 48 HB2 LYS 5 HB2 LYS 5 3.922 -6.272 4.777 49 HB3 LYS 5 HB3 LYS 5 3.177 -6.021 3.210 50 HG2 LYS 5 HG2 LYS 5 3.762 -8.027 2.594 51 HG3 LYS 5 HG3 LYS 5 5.451 -7.548 2.580 52 HD2 LYS 5 HD2 LYS 5 5.847 -8.454 4.739 53 HD3 LYS 5 HD3 LYS 5 4.120 -8.446 5.158 54 HE2 LYS 5 HE2 LYS 5 3.750 -10.070 3.240 55 HE3 LYS 5 HE3 LYS 5 5.503 -10.300 3.186 56 HZ1 LYS 5 HZ1 LYS 5 4.361 -11.943 4.513 57 HZ2 LYS 5 HZ2 LYS 5 3.744 -10.805 5.523 58 HZ3 LYS 5 HZ3 LYS 5 5.366 -11.101 5.488 59 H VAL 6 H VAL 6 4.439 -4.036 1.177 60 HA VAL 6 HA VAL 6 2.621 -2.088 2.411 61 HB VAL 6 HB VAL 6 4.906 -1.467 0.511 62 HG11 VAL 6 HG11 VAL 6 2.918 -0.498 -0.578 63 HG12 VAL 6 HG12 VAL 6 2.431 0.261 0.963 64 HG13 VAL 6 HG13 VAL 6 3.925 0.752 0.129 65 HG21 VAL 6 HG21 VAL 6 5.429 -1.097 2.813 66 HG22 VAL 6 HG22 VAL 6 5.051 0.473 2.068 67 HG23 VAL 6 HG23 VAL 6 3.861 -0.301 3.111 68 H ALA 7 H ALA 7 0.729 -1.986 1.359 69 HA ALA 7 HA ALA 7 0.432 -3.527 -1.180 70 HB1 ALA 7 HB1 ALA 7 -1.627 -2.336 0.716 71 HB2 ALA 7 HB2 ALA 7 -2.002 -3.209 -0.783 72 HB3 ALA 7 HB3 ALA 7 -1.219 -4.056 0.568 73 H ILE 8 H ILE 8 -0.060 -2.432 -3.066 74 HA ILE 8 HA ILE 8 -0.458 0.525 -2.970 75 HB ILE 8 HB ILE 8 1.090 -1.076 -5.050 76 HG12 ILE 8 HG12 ILE 8 2.161 0.889 -2.974 77 HG13 ILE 8 HG13 ILE 8 2.269 -0.869 -2.809 78 HG21 ILE 8 HG21 ILE 8 1.622 1.083 -6.052 79 HG22 ILE 8 HG22 ILE 8 -0.121 0.987 -5.904 80 HG23 ILE 8 HG23 ILE 8 0.816 1.951 -4.738 81 HD11 ILE 8 HD11 ILE 8 4.320 0.036 -3.610 82 HD12 ILE 8 HD12 ILE 8 3.602 -1.073 -4.808 83 HD13 ILE 8 HD13 ILE 8 3.544 0.679 -5.058 84 H SER 9 H SER 9 -2.410 1.019 -3.732 85 HA SER 9 HA SER 9 -4.087 -0.968 -5.052 86 HB2 SER 9 HB2 SER 9 -5.653 1.142 -4.984 87 HB3 SER 9 HB3 SER 9 -5.226 0.276 -3.516 88 HG SER 9 HG SER 9 -3.598 2.418 -4.272 89 H MET 10 H MET 10 -3.106 -1.454 -6.997 90 HA MET 10 HA MET 10 -2.348 0.581 -8.994 91 HB2 MET 10 HB2 MET 10 -2.206 -2.466 -8.926 92 HB3 MET 10 HB3 MET 10 -1.580 -1.474 -10.227 93 HG2 MET 10 HG2 MET 10 -0.442 -0.510 -7.752 94 HG3 MET 10 HG3 MET 10 -0.375 -2.276 -7.740 95 HE1 MET 10 HE1 MET 10 -0.046 -0.364 -11.247 96 HE2 MET 10 HE2 MET 10 0.450 0.841 -10.025 97 HE3 MET 10 HE3 MET 10 1.643 0.156 -11.151 98 H ASP 11 H ASP 11 -3.182 0.510 -11.155 99 HA ASP 11 HA ASP 11 -5.959 -0.628 -11.428 100 HB2 ASP 11 HB2 ASP 11 -5.201 1.901 -11.783 101 HB3 ASP 11 HB3 ASP 11 -4.789 1.350 -13.381 102 H VAL 12 H VAL 12 -3.008 -0.076 -13.351 103 HA VAL 12 HA VAL 12 -3.279 -2.689 -14.694 104 HB VAL 12 HB VAL 12 -2.950 -0.071 -16.264 105 HG11 VAL 12 HG11 VAL 12 -3.507 -2.923 -17.148 106 HG12 VAL 12 HG12 VAL 12 -3.458 -1.506 -18.221 107 HG13 VAL 12 HG13 VAL 12 -2.000 -2.018 -17.367 108 HG21 VAL 12 HG21 VAL 12 -5.225 0.048 -15.439 109 HG22 VAL 12 HG22 VAL 12 -5.182 -0.251 -17.164 110 HG23 VAL 12 HG23 VAL 12 -5.555 -1.581 -16.055 111 H ASP 13 H ASP 13 -1.668 0.452 -14.721 112 HA ASP 13 HA ASP 13 1.019 -0.803 -14.685 113 HB2 ASP 13 HB2 ASP 13 -0.560 0.225 -16.855 114 HB3 ASP 13 HB3 ASP 13 0.645 1.439 -16.542 115 H LYS 14 H LYS 14 -0.922 1.352 -13.124 116 HA LYS 14 HA LYS 14 1.219 2.827 -11.925 117 HB2 LYS 14 HB2 LYS 14 0.318 5.067 -12.452 118 HB3 LYS 14 HB3 LYS 14 0.878 4.232 -13.881 119 HG2 LYS 14 HG2 LYS 14 -1.738 3.502 -13.992 120 HG3 LYS 14 HG3 LYS 14 -1.917 4.971 -13.041 121 HD2 LYS 14 HD2 LYS 14 -0.382 4.919 -15.668 122 HD3 LYS 14 HD3 LYS 14 -2.143 5.045 -15.603 123 HE2 LYS 14 HE2 LYS 14 -2.045 7.085 -14.301 124 HE3 LYS 14 HE3 LYS 14 -0.276 7.033 -14.281 125 HZ1 LYS 14 HZ1 LYS 14 -1.261 8.449 -16.068 126 HZ2 LYS 14 HZ2 LYS 14 -1.812 7.058 -16.803 127 HZ3 LYS 14 HZ3 LYS 14 -0.206 7.307 -16.585 128 H ILE 15 H ILE 15 0.133 4.340 -10.337 129 HA ILE 15 HA ILE 15 -1.703 2.912 -8.643 130 HB ILE 15 HB ILE 15 -0.834 5.845 -8.691 131 HG12 ILE 15 HG12 ILE 15 0.147 3.418 -7.103 132 HG13 ILE 15 HG13 ILE 15 1.017 4.234 -8.401 133 HG21 ILE 15 HG21 ILE 15 -1.617 5.792 -6.272 134 HG22 ILE 15 HG22 ILE 15 -2.911 5.694 -7.463 135 HG23 ILE 15 HG23 ILE 15 -2.371 4.221 -6.648 136 HD11 ILE 15 HD11 ILE 15 0.486 5.338 -5.641 137 HD12 ILE 15 HD12 ILE 15 2.027 4.913 -6.391 138 HD13 ILE 15 HD13 ILE 15 1.123 6.302 -7.003 139 H SER 16 H SER 16 -3.948 2.933 -8.572 140 HA SER 16 HA SER 16 -5.337 3.746 -10.942 141 HB2 SER 16 HB2 SER 16 -5.989 1.746 -9.655 142 HB3 SER 16 HB3 SER 16 -6.417 2.737 -8.299 143 HG SER 16 HG SER 16 -7.712 2.538 -10.783 144 H ASN 17 H ASN 17 -6.514 4.675 -7.751 145 HA ASN 17 HA ASN 17 -6.310 7.484 -8.047 146 HB2 ASN 17 HB2 ASN 17 -8.364 6.526 -9.703 147 HB3 ASN 17 HB3 ASN 17 -9.209 6.933 -8.219 148 HD21 ASN 17 HD21 ASN 17 -8.965 9.241 -7.368 149 HD22 ASN 17 HD22 ASN 17 -8.507 10.470 -8.530 150 H SER 18 H SER 18 -8.173 4.669 -6.832 151 HA SER 18 HA SER 18 -7.691 5.664 -4.133 152 HB2 SER 18 HB2 SER 18 -10.445 4.933 -3.999 153 HB3 SER 18 HB3 SER 18 -9.707 6.437 -3.611 154 HG SER 18 HG SER 18 -10.161 7.251 -5.573 155 H PHE 19 H PHE 19 -8.314 4.079 -2.466 156 HA PHE 19 HA PHE 19 -7.382 1.461 -2.843 157 HB2 PHE 19 HB2 PHE 19 -7.634 2.738 -0.702 158 HB3 PHE 19 HB3 PHE 19 -9.373 2.571 -0.805 159 HD1 PHE 19 HD1 PHE 19 -10.395 0.153 -0.652 160 HD2 PHE 19 HD2 PHE 19 -6.330 1.141 0.412 161 HE1 PHE 19 HE1 PHE 19 -10.224 -1.937 0.656 162 HE2 PHE 19 HE2 PHE 19 -6.204 -0.913 1.775 163 HZ PHE 19 HZ PHE 19 -8.078 -2.492 1.866 164 H GLU 20 H GLU 20 -10.699 2.749 -2.740 165 HA GLU 20 HA GLU 20 -11.992 0.202 -3.199 166 HB2 GLU 20 HB2 GLU 20 -12.625 2.930 -2.361 167 HB3 GLU 20 HB3 GLU 20 -13.787 2.421 -3.555 168 HG2 GLU 20 HG2 GLU 20 -13.044 0.545 -1.307 169 HG3 GLU 20 HG3 GLU 20 -14.064 1.921 -0.936 170 H ASP 21 H ASP 21 -10.364 2.153 -5.360 171 HA ASP 21 HA ASP 21 -12.249 1.590 -7.611 172 HB2 ASP 21 HB2 ASP 21 -12.020 3.992 -6.865 173 HB3 ASP 21 HB3 ASP 21 -10.291 3.893 -7.155 174 H CYS 22 H CYS 22 -9.387 0.565 -6.297 175 HA CYS 22 HA CYS 22 -7.871 0.499 -8.804 176 HB2 CYS 22 HB2 CYS 22 -6.093 -0.438 -7.498 177 HB3 CYS 22 HB3 CYS 22 -6.818 0.882 -6.591 178 HG CYS 22 HG CYS 22 -8.371 -0.749 -5.095 179 H LYS 23 H LYS 23 -6.740 -1.698 -9.206 180 HA LYS 23 HA LYS 23 -8.880 -3.735 -9.712 181 HB2 LYS 23 HB2 LYS 23 -6.450 -2.748 -11.207 182 HB3 LYS 23 HB3 LYS 23 -7.127 -4.317 -11.573 183 HG2 LYS 23 HG2 LYS 23 -7.816 -2.381 -13.069 184 HG3 LYS 23 HG3 LYS 23 -9.036 -3.492 -12.500 185 HD2 LYS 23 HD2 LYS 23 -9.916 -1.831 -10.951 186 HD3 LYS 23 HD3 LYS 23 -8.578 -0.729 -11.351 187 HE2 LYS 23 HE2 LYS 23 -10.650 -0.124 -12.549 188 HE3 LYS 23 HE3 LYS 23 -9.335 -0.550 -13.644 189 HZ1 LYS 23 HZ1 LYS 23 -11.571 -2.335 -12.906 190 HZ2 LYS 23 HZ2 LYS 23 -10.353 -2.708 -13.964 191 HZ3 LYS 23 HZ3 LYS 23 -11.416 -1.524 -14.324 192 H TYR 24 H TYR 24 -5.452 -3.188 -8.605 193 HA TYR 24 HA TYR 24 -5.782 -5.631 -7.103 194 HB2 TYR 24 HB2 TYR 24 -3.877 -6.781 -7.821 195 HB3 TYR 24 HB3 TYR 24 -4.867 -6.502 -9.232 196 HD1 TYR 24 HD1 TYR 24 -4.224 -4.729 -10.823 197 HD2 TYR 24 HD2 TYR 24 -1.457 -6.320 -7.935 198 HE1 TYR 24 HE1 TYR 24 -2.290 -3.732 -12.096 199 HE2 TYR 24 HE2 TYR 24 0.353 -5.304 -8.973 200 HH TYR 24 HH TYR 24 0.248 -4.005 -12.226 201 H PHE 25 H PHE 25 -4.067 -6.029 -5.633 202 HA PHE 25 HA PHE 25 -2.902 -3.587 -4.487 203 HB2 PHE 25 HB2 PHE 25 -3.659 -6.230 -3.181 204 HB3 PHE 25 HB3 PHE 25 -3.039 -4.809 -2.372 205 HD1 PHE 25 HD2 PHE 25 -4.483 -2.547 -3.219 206 HD2 PHE 25 HD1 PHE 25 -5.940 -6.589 -2.845 207 HE1 PHE 25 HE2 PHE 25 -6.802 -1.689 -2.847 208 HE2 PHE 25 HE1 PHE 25 -8.234 -5.723 -2.419 209 HZ PHE 25 HZ PHE 25 -8.657 -3.267 -2.415 210 H LEU 26 H LEU 26 -0.893 -3.510 -5.313 211 HA LEU 26 HA LEU 26 0.701 -5.942 -5.615 212 HB2 LEU 26 HB2 LEU 26 0.825 -4.082 -7.213 213 HB3 LEU 26 HB3 LEU 26 1.524 -3.046 -5.986 214 HG LEU 26 HG LEU 26 3.587 -4.173 -5.991 215 HD11 LEU 26 HD11 LEU 26 3.137 -6.454 -5.738 216 HD12 LEU 26 HD12 LEU 26 3.906 -6.364 -7.321 217 HD13 LEU 26 HD13 LEU 26 2.141 -6.538 -7.239 218 HD21 LEU 26 HD21 LEU 26 2.555 -4.621 -8.827 219 HD22 LEU 26 HD22 LEU 26 4.235 -4.267 -8.322 220 HD23 LEU 26 HD23 LEU 26 2.997 -3.007 -8.168 221 H ILE 27 H ILE 27 1.202 -6.840 -3.741 222 HA ILE 27 HA ILE 27 2.051 -5.492 -1.332 223 HB ILE 27 HB ILE 27 2.371 -8.495 -1.928 224 HG12 ILE 27 HG12 ILE 27 0.043 -8.024 -2.290 225 HG13 ILE 27 HG13 ILE 27 0.267 -8.824 -0.746 226 HG21 ILE 27 HG21 ILE 27 2.327 -8.645 0.519 227 HG22 ILE 27 HG22 ILE 27 3.664 -7.645 -0.051 228 HG23 ILE 27 HG23 ILE 27 2.229 -6.870 0.645 229 HD11 ILE 27 HD11 ILE 27 -0.085 -6.662 0.439 230 HD12 ILE 27 HD12 ILE 27 -0.307 -5.850 -1.129 231 HD13 ILE 27 HD13 ILE 27 -1.459 -7.067 -0.600 232 H VAL 28 H VAL 28 3.839 -4.255 -1.790 233 HA VAL 28 HA VAL 28 6.292 -5.372 -2.998 234 HB VAL 28 HB VAL 28 6.066 -2.939 -1.177 235 HG11 VAL 28 HG11 VAL 28 7.988 -2.153 -2.506 236 HG12 VAL 28 HG12 VAL 28 8.352 -3.736 -1.813 237 HG13 VAL 28 HG13 VAL 28 7.905 -3.589 -3.532 238 HG21 VAL 28 HG21 VAL 28 5.479 -3.003 -4.161 239 HG22 VAL 28 HG22 VAL 28 4.392 -2.474 -2.845 240 HG23 VAL 28 HG23 VAL 28 5.845 -1.541 -3.218 241 H ARG 29 H ARG 29 7.910 -6.476 -1.691 242 HA ARG 29 HA ARG 29 7.449 -6.458 1.225 243 HB2 ARG 29 HB2 ARG 29 6.501 -8.479 0.147 244 HB3 ARG 29 HB3 ARG 29 8.094 -8.895 -0.485 245 HG2 ARG 29 HG2 ARG 29 7.985 -8.327 2.469 246 HG3 ARG 29 HG3 ARG 29 7.027 -9.673 1.920 247 HD2 ARG 29 HD2 ARG 29 9.121 -10.556 0.739 248 HD3 ARG 29 HD3 ARG 29 10.017 -9.275 1.569 249 HE ARG 29 HE ARG 29 10.032 -10.506 3.440 250 HH11 ARG 29 HH11 ARG 29 7.211 -11.605 1.553 251 HH12 ARG 29 HH12 ARG 29 7.057 -13.139 2.281 252 HH21 ARG 29 HH21 ARG 29 9.781 -12.570 4.564 253 HH22 ARG 29 HH22 ARG 29 8.610 -13.710 4.023 254 H ILE 30 H ILE 30 9.208 -5.811 2.262 255 HA ILE 30 HA ILE 30 11.740 -5.515 0.724 256 HB ILE 30 HB ILE 30 10.513 -3.664 2.779 257 HG12 ILE 30 HG12 ILE 30 10.693 -2.932 -0.150 258 HG13 ILE 30 HG13 ILE 30 9.303 -3.822 0.418 259 HG21 ILE 30 HG21 ILE 30 12.189 -2.008 2.099 260 HG22 ILE 30 HG22 ILE 30 12.932 -3.459 2.758 261 HG23 ILE 30 HG23 ILE 30 12.900 -3.194 0.997 262 HD11 ILE 30 HD11 ILE 30 8.815 -2.128 2.128 263 HD12 ILE 30 HD12 ILE 30 10.118 -1.107 1.460 264 HD13 ILE 30 HD13 ILE 30 8.693 -1.538 0.488 265 H ASP 31 H ASP 31 13.580 -6.084 1.886 266 HA ASP 31 HA ASP 31 13.253 -6.799 4.750 267 HB2 ASP 31 HB2 ASP 31 13.348 -8.754 2.559 268 HB3 ASP 31 HB3 ASP 31 14.543 -9.068 3.799 269 H ASP 32 H ASP 32 15.259 -5.509 2.413 270 HA ASP 32 HA ASP 32 17.071 -4.876 4.488 271 HB2 ASP 32 HB2 ASP 32 18.127 -7.056 3.885 272 HB3 ASP 32 HB3 ASP 32 18.390 -6.449 2.249 273 H ASN 33 H ASN 33 15.691 -3.215 3.615 274 HA ASN 33 HA ASN 33 15.162 -1.318 2.576 275 HB2 ASN 33 HB2 ASN 33 17.861 -1.101 2.982 276 HB3 ASN 33 HB3 ASN 33 17.749 -0.804 1.245 277 HD21 ASN 33 HD21 ASN 33 16.147 0.127 4.379 278 HD22 ASN 33 HD22 ASN 33 16.088 1.807 3.973 279 H GLU 34 H GLU 34 16.109 -3.865 0.606 280 HA GLU 34 HA GLU 34 14.974 -2.569 -1.816 281 HB2 GLU 34 HB2 GLU 34 16.956 -4.833 -1.357 282 HB3 GLU 34 HB3 GLU 34 16.298 -4.431 -2.957 283 HG2 GLU 34 HG2 GLU 34 17.162 -2.080 -2.644 284 HG3 GLU 34 HG3 GLU 34 17.947 -2.627 -1.151 285 H VAL 35 H VAL 35 13.829 -3.852 -3.298 286 HA VAL 35 HA VAL 35 11.614 -5.184 -2.004 287 HB VAL 35 HB VAL 35 12.153 -4.615 -4.964 288 HG11 VAL 35 HG11 VAL 35 9.611 -5.320 -3.441 289 HG12 VAL 35 HG12 VAL 35 9.682 -4.800 -5.149 290 HG13 VAL 35 HG13 VAL 35 10.427 -6.321 -4.656 291 HG21 VAL 35 HG21 VAL 35 10.610 -2.678 -4.646 292 HG22 VAL 35 HG22 VAL 35 10.664 -2.960 -2.885 293 HG23 VAL 35 HG23 VAL 35 12.127 -2.493 -3.773 294 H LYS 36 H LYS 36 12.749 -7.004 -1.175 295 HA LYS 36 HA LYS 36 14.229 -8.794 -2.882 296 HB2 LYS 36 HB2 LYS 36 12.766 -9.640 -0.365 297 HB3 LYS 36 HB3 LYS 36 14.144 -10.427 -1.126 298 HG2 LYS 36 HG2 LYS 36 14.068 -7.890 0.512 299 HG3 LYS 36 HG3 LYS 36 14.987 -9.368 0.784 300 HD2 LYS 36 HD2 LYS 36 16.266 -8.658 -1.435 301 HD3 LYS 36 HD3 LYS 36 15.550 -7.076 -1.103 302 HE2 LYS 36 HE2 LYS 36 17.459 -6.783 0.090 303 HE3 LYS 36 HE3 LYS 36 16.481 -7.536 1.358 304 HZ1 LYS 36 HZ1 LYS 36 18.628 -8.582 1.252 305 HZ2 LYS 36 HZ2 LYS 36 18.514 -8.821 -0.349 306 HZ3 LYS 36 HZ3 LYS 36 17.575 -9.691 0.699 307 H SER 37 H SER 37 10.725 -8.462 -2.282 308 HA SER 37 HA SER 37 10.212 -10.257 -4.511 309 HB2 SER 37 HB2 SER 37 10.374 -11.777 -2.531 310 HB3 SER 37 HB3 SER 37 9.121 -10.831 -1.716 311 HG SER 37 HG SER 37 8.847 -12.295 -4.145 312 H THR 38 H THR 38 7.880 -10.140 -5.108 313 HA THR 38 HA THR 38 6.342 -7.919 -3.997 314 HB THR 38 HB THR 38 5.789 -7.697 -6.712 315 HG1 THR 38 HG1 THR 38 7.981 -7.290 -7.573 316 HG21 THR 38 HG21 THR 38 5.964 -5.815 -5.224 317 HG22 THR 38 HG22 THR 38 7.056 -5.549 -6.583 318 HG23 THR 38 HG23 THR 38 7.708 -6.077 -5.012 319 H LYS 39 H LYS 39 4.004 -8.151 -4.566 320 HA LYS 39 HA LYS 39 3.206 -10.761 -5.694 321 HB2 LYS 39 HB2 LYS 39 3.233 -10.085 -2.882 322 HB3 LYS 39 HB3 LYS 39 1.570 -10.036 -3.389 323 HG2 LYS 39 HG2 LYS 39 1.517 -12.101 -2.946 324 HG3 LYS 39 HG3 LYS 39 2.169 -12.377 -4.563 325 HD2 LYS 39 HD2 LYS 39 4.222 -11.785 -2.542 326 HD3 LYS 39 HD3 LYS 39 3.299 -13.220 -2.106 327 HE2 LYS 39 HE2 LYS 39 4.462 -12.914 -4.878 328 HE3 LYS 39 HE3 LYS 39 5.514 -13.437 -3.567 329 HZ1 LYS 39 HZ1 LYS 39 4.309 -15.407 -3.318 330 HZ2 LYS 39 HZ2 LYS 39 4.496 -15.225 -4.910 331 HZ3 LYS 39 HZ3 LYS 39 3.025 -14.878 -4.250 332 H VAL 40 H VAL 40 1.418 -10.446 -6.931 333 HA VAL 40 HA VAL 40 -0.381 -8.271 -6.289 334 HB VAL 40 HB VAL 40 0.204 -7.793 -8.077 335 HG11 VAL 40 HG11 VAL 40 0.020 -10.324 -9.628 336 HG12 VAL 40 HG12 VAL 40 0.292 -8.599 -10.131 337 HG13 VAL 40 HG13 VAL 40 1.495 -9.370 -9.120 338 HG21 VAL 40 HG21 VAL 40 -2.428 -8.269 -7.982 339 HG22 VAL 40 HG22 VAL 40 -1.838 -8.153 -9.646 340 HG23 VAL 40 HG23 VAL 40 -2.115 -9.723 -8.899 341 H ILE 41 H ILE 41 -2.245 -8.330 -5.591 342 HA ILE 41 HA ILE 41 -3.774 -10.843 -5.332 343 HB ILE 41 HB ILE 41 -3.688 -8.552 -3.317 344 HG12 ILE 41 HG12 ILE 41 -2.098 -11.129 -3.158 345 HG13 ILE 41 HG13 ILE 41 -1.476 -9.486 -3.170 346 HG21 ILE 41 HG21 ILE 41 -4.990 -10.033 -1.961 347 HG22 ILE 41 HG22 ILE 41 -5.700 -9.978 -3.580 348 HG23 ILE 41 HG23 ILE 41 -4.744 -11.389 -3.089 349 HD11 ILE 41 HD11 ILE 41 -3.102 -10.757 -0.928 350 HD12 ILE 41 HD12 ILE 41 -1.405 -10.299 -0.904 351 HD13 ILE 41 HD13 ILE 41 -2.661 -9.037 -1.007 352 H PHE 42 H PHE 42 -5.569 -10.407 -6.766 353 HA PHE 42 HA PHE 42 -6.039 -7.733 -7.741 354 HB2 PHE 42 HB2 PHE 42 -7.681 -10.292 -7.842 355 HB3 PHE 42 HB3 PHE 42 -8.203 -8.790 -8.593 356 HD1 PHE 42 HD2 PHE 42 -6.951 -7.796 -10.525 357 HD2 PHE 42 HD1 PHE 42 -5.866 -11.617 -8.823 358 HE1 PHE 42 HE2 PHE 42 -5.670 -8.351 -12.551 359 HE2 PHE 42 HE1 PHE 42 -4.470 -12.100 -10.813 360 HZ PHE 42 HZ PHE 42 -4.370 -10.462 -12.691 361 H ASN 43 H ASN 43 -8.166 -6.582 -7.476 362 HA ASN 43 HA ASN 43 -8.597 -6.101 -4.631 363 HB2 ASN 43 HB2 ASN 43 -8.268 -4.191 -6.084 364 HB3 ASN 43 HB3 ASN 43 -9.600 -4.703 -7.132 365 HD21 ASN 43 HD21 ASN 43 -10.535 -2.474 -6.722 366 HD22 ASN 43 HD22 ASN 43 -11.506 -2.294 -5.300 367 H ASP 44 H ASP 44 -9.521 -8.258 -4.250 368 HA ASP 44 HA ASP 44 -12.457 -8.363 -4.817 369 HB2 ASP 44 HB2 ASP 44 -10.527 -10.675 -4.392 370 HB3 ASP 44 HB3 ASP 44 -12.262 -10.809 -4.670 371 H GLU 45 H GLU 45 -13.614 -9.692 -3.078 372 HA GLU 45 HA GLU 45 -12.983 -8.993 -0.371 373 HB2 GLU 45 HB2 GLU 45 -14.544 -10.716 0.275 374 HB3 GLU 45 HB3 GLU 45 -15.182 -9.725 -1.047 375 HG2 GLU 45 HG2 GLU 45 -14.755 -11.552 -2.645 376 HG3 GLU 45 HG3 GLU 45 -14.005 -12.522 -1.375 377 H SER 46 H SER 46 -12.117 -11.807 -2.392 378 HA SER 46 HA SER 46 -10.559 -13.076 -0.351 379 HB2 SER 46 HB2 SER 46 -10.993 -13.525 -3.337 380 HB3 SER 46 HB3 SER 46 -9.833 -14.490 -2.394 381 HG SER 46 HG SER 46 -12.242 -15.131 -2.494 382 H GLY 47 H GLY 47 -9.984 -10.358 -2.309 383 HA2 GLY 47 HA2 GLY 47 -7.101 -10.675 -2.207 384 HA3 GLY 47 HA3 GLY 47 -7.975 -9.168 -2.624 385 H LYS 48 H LYS 48 -9.573 -8.675 -0.587 386 HA LYS 48 HA LYS 48 -7.775 -7.717 1.419 387 HB2 LYS 48 HB2 LYS 48 -10.810 -7.783 1.225 388 HB3 LYS 48 HB3 LYS 48 -9.956 -7.050 2.577 389 HG2 LYS 48 HG2 LYS 48 -9.724 -5.143 1.448 390 HG3 LYS 48 HG3 LYS 48 -8.657 -5.952 0.318 391 HD2 LYS 48 HD2 LYS 48 -10.389 -4.659 -0.790 392 HD3 LYS 48 HD3 LYS 48 -10.485 -6.362 -1.217 393 HE2 LYS 48 HE2 LYS 48 -12.365 -6.696 0.321 394 HE3 LYS 48 HE3 LYS 48 -12.176 -5.060 0.950 395 HZ1 LYS 48 HZ1 LYS 48 -12.843 -4.211 -1.219 396 HZ2 LYS 48 HZ2 LYS 48 -13.983 -5.229 -0.606 397 HZ3 LYS 48 HZ3 LYS 48 -12.985 -5.710 -1.829 398 H LYS 49 H LYS 49 -9.532 -10.788 1.268 399 HA LYS 49 HA LYS 49 -9.257 -11.401 4.030 400 HB2 LYS 49 HB2 LYS 49 -10.067 -13.445 3.552 401 HB3 LYS 49 HB3 LYS 49 -10.583 -12.633 2.089 402 HG2 LYS 49 HG2 LYS 49 -8.438 -13.400 1.033 403 HG3 LYS 49 HG3 LYS 49 -8.101 -14.312 2.494 404 HD2 LYS 49 HD2 LYS 49 -9.769 -15.915 2.022 405 HD3 LYS 49 HD3 LYS 49 -10.664 -14.818 0.983 406 HE2 LYS 49 HE2 LYS 49 -9.776 -15.986 -0.718 407 HE3 LYS 49 HE3 LYS 49 -8.375 -14.944 -0.466 408 HZ1 LYS 49 HZ1 LYS 49 -7.651 -17.144 -0.652 409 HZ2 LYS 49 HZ2 LYS 49 -8.738 -17.736 0.395 410 HZ3 LYS 49 HZ3 LYS 49 -7.448 -16.807 0.918 411 H SER 50 H SER 50 -6.959 -11.872 1.333 412 HA SER 50 HA SER 50 -5.067 -13.218 3.002 413 HB2 SER 50 HB2 SER 50 -4.754 -11.870 0.285 414 HB3 SER 50 HB3 SER 50 -3.615 -13.015 1.042 415 HG SER 50 HG SER 50 -4.977 -14.139 -0.333 416 H ILE 51 H ILE 51 -5.452 -9.829 1.891 417 HA ILE 51 HA ILE 51 -3.145 -8.658 2.729 418 HB ILE 51 HB ILE 51 -5.983 -7.601 2.942 419 HG12 ILE 51 HG12 ILE 51 -3.726 -7.289 0.892 420 HG13 ILE 51 HG13 ILE 51 -5.214 -8.182 0.667 421 HG21 ILE 51 HG21 ILE 51 -3.403 -6.013 3.081 422 HG22 ILE 51 HG22 ILE 51 -5.032 -5.341 3.075 423 HG23 ILE 51 HG23 ILE 51 -4.492 -6.268 4.458 424 HD11 ILE 51 HD11 ILE 51 -4.797 -5.216 0.741 425 HD12 ILE 51 HD12 ILE 51 -5.630 -6.213 -0.454 426 HD13 ILE 51 HD13 ILE 51 -6.410 -5.865 1.103 427 H VAL 52 H VAL 52 -5.921 -9.257 4.975 428 HA VAL 52 HA VAL 52 -4.629 -8.153 7.247 429 HB VAL 52 HB VAL 52 -6.848 -10.245 6.967 430 HG11 VAL 52 HG11 VAL 52 -6.025 -8.636 9.433 431 HG12 VAL 52 HG12 VAL 52 -7.502 -9.606 9.298 432 HG13 VAL 52 HG13 VAL 52 -5.926 -10.398 9.269 433 HG21 VAL 52 HG21 VAL 52 -7.417 -8.111 5.964 434 HG22 VAL 52 HG22 VAL 52 -8.256 -8.191 7.519 435 HG23 VAL 52 HG23 VAL 52 -6.781 -7.229 7.367 436 H LYS 53 H LYS 53 -4.291 -11.354 5.773 437 HA LYS 53 HA LYS 53 -2.798 -12.355 8.098 438 HB2 LYS 53 HB2 LYS 53 -3.957 -13.605 5.608 439 HB3 LYS 53 HB3 LYS 53 -2.611 -14.392 6.418 440 HG2 LYS 53 HG2 LYS 53 -4.725 -15.304 7.183 441 HG3 LYS 53 HG3 LYS 53 -3.817 -14.573 8.503 442 HD2 LYS 53 HD2 LYS 53 -5.310 -12.645 8.546 443 HD3 LYS 53 HD3 LYS 53 -6.170 -13.233 7.097 444 HE2 LYS 53 HE2 LYS 53 -6.856 -15.261 8.331 445 HE3 LYS 53 HE3 LYS 53 -5.957 -14.732 9.752 446 HZ1 LYS 53 HZ1 LYS 53 -8.227 -13.211 8.615 447 HZ2 LYS 53 HZ2 LYS 53 -7.504 -12.974 10.095 448 HZ3 LYS 53 HZ3 LYS 53 -8.372 -14.321 9.803 449 H GLU 54 H GLU 54 -2.220 -10.681 5.116 450 HA GLU 54 HA GLU 54 0.367 -11.665 4.510 451 HB2 GLU 54 HB2 GLU 54 -1.545 -10.006 3.318 452 HB3 GLU 54 HB3 GLU 54 -0.289 -8.879 3.744 453 HG2 GLU 54 HG2 GLU 54 0.218 -9.459 1.566 454 HG3 GLU 54 HG3 GLU 54 1.323 -10.478 2.489 455 H ASN 55 H ASN 55 -0.740 -9.568 6.946 456 HA ASN 55 HA ASN 55 0.093 -8.086 8.391 457 HB2 ASN 55 HB2 ASN 55 1.423 -10.020 9.223 458 HB3 ASN 55 HB3 ASN 55 2.766 -9.492 8.203 459 HD21 ASN 55 HD21 ASN 55 3.949 -7.558 8.824 460 HD22 ASN 55 HD22 ASN 55 3.704 -6.763 10.340 461 H VAL 56 H VAL 56 -0.364 -6.758 6.398 462 HA VAL 56 HA VAL 56 1.959 -5.493 5.161 463 HB VAL 56 HB VAL 56 -0.676 -4.072 5.378 464 HG11 VAL 56 HG11 VAL 56 1.286 -4.353 3.074 465 HG12 VAL 56 HG12 VAL 56 -0.084 -3.226 3.201 466 HG13 VAL 56 HG13 VAL 56 1.305 -3.054 4.280 467 HG21 VAL 56 HG21 VAL 56 -1.471 -6.256 4.625 468 HG22 VAL 56 HG22 VAL 56 -1.350 -5.203 3.203 469 HG23 VAL 56 HG23 VAL 56 -0.097 -6.422 3.498 470 H ASN 57 H ASN 57 2.950 -3.637 5.820 471 HA ASN 57 HA ASN 57 2.748 -2.845 8.669 472 HB2 ASN 57 HB2 ASN 57 4.939 -3.335 7.445 473 HB3 ASN 57 HB3 ASN 57 4.605 -1.968 6.386 474 HD21 ASN 57 HD21 ASN 57 6.323 -2.885 9.086 475 HD22 ASN 57 HD22 ASN 57 6.681 -1.241 9.615 476 H ALA 58 H ALA 58 2.218 -1.539 5.360 477 HA ALA 58 HA ALA 58 0.660 0.664 6.379 478 HB1 ALA 58 HB1 ALA 58 2.118 2.388 5.406 479 HB2 ALA 58 HB2 ALA 58 2.972 1.522 6.691 480 HB3 ALA 58 HB3 ALA 58 3.330 1.162 4.986 481 H ILE 59 H ILE 59 -0.355 1.815 4.504 482 HA ILE 59 HA ILE 59 -0.180 0.287 1.914 483 HB ILE 59 HB ILE 59 -2.604 1.730 3.028 484 HG12 ILE 59 HG12 ILE 59 -2.401 -1.285 2.836 485 HG13 ILE 59 HG13 ILE 59 -1.871 -0.472 4.267 486 HG21 ILE 59 HG21 ILE 59 -2.188 -0.099 0.605 487 HG22 ILE 59 HG22 ILE 59 -3.784 0.401 1.187 488 HG23 ILE 59 HG23 ILE 59 -2.655 1.608 0.595 489 HD11 ILE 59 HD11 ILE 59 -4.695 -0.271 3.170 490 HD12 ILE 59 HD12 ILE 59 -4.176 -1.151 4.611 491 HD13 ILE 59 HD13 ILE 59 -4.075 0.612 4.578 492 H ILE 60 H ILE 60 0.098 1.575 0.069 493 HA ILE 60 HA ILE 60 0.231 4.539 0.419 494 HB ILE 60 HB ILE 60 1.221 2.747 -1.843 495 HG12 ILE 60 HG12 ILE 60 2.793 4.379 0.240 496 HG13 ILE 60 HG13 ILE 60 2.561 2.644 0.309 497 HG21 ILE 60 HG21 ILE 60 2.270 4.844 -2.735 498 HG22 ILE 60 HG22 ILE 60 0.527 4.971 -2.665 499 HG23 ILE 60 HG23 ILE 60 1.513 5.771 -1.421 500 HD11 ILE 60 HD11 ILE 60 3.778 2.430 -1.895 501 HD12 ILE 60 HD12 ILE 60 4.181 4.162 -1.758 502 HD13 ILE 60 HD13 ILE 60 4.753 3.022 -0.536 503 H CYS 61 H CYS 61 -1.662 5.588 -0.228 504 HA CYS 61 HA CYS 61 -2.670 4.788 -2.817 505 HB2 CYS 61 HB2 CYS 61 -5.076 4.890 -2.148 506 HB3 CYS 61 HB3 CYS 61 -4.224 3.482 -1.635 507 HG CYS 61 HG CYS 61 -4.927 6.172 0.167 508 H LYS 62 H LYS 62 -3.898 6.409 -3.850 509 HA LYS 62 HA LYS 62 -3.347 9.207 -3.142 510 HB2 LYS 62 HB2 LYS 62 -5.006 7.807 -5.259 511 HB3 LYS 62 HB3 LYS 62 -4.987 9.567 -5.069 512 HG2 LYS 62 HG2 LYS 62 -2.589 9.610 -5.629 513 HG3 LYS 62 HG3 LYS 62 -2.562 7.828 -5.688 514 HD2 LYS 62 HD2 LYS 62 -4.203 7.824 -7.499 515 HD3 LYS 62 HD3 LYS 62 -4.246 9.582 -7.502 516 HE2 LYS 62 HE2 LYS 62 -1.719 7.938 -8.045 517 HE3 LYS 62 HE3 LYS 62 -2.862 8.395 -9.303 518 HZ1 LYS 62 HZ1 LYS 62 -1.323 10.005 -9.422 519 HZ2 LYS 62 HZ2 LYS 62 -1.094 10.146 -7.795 520 HZ3 LYS 62 HZ3 LYS 62 -2.460 10.758 -8.523 521 H ASN 63 H ASN 63 -6.242 6.907 -3.140 522 HA ASN 63 HA ASN 63 -7.427 8.667 -1.064 523 HB2 ASN 63 HB2 ASN 63 -8.604 8.217 -3.763 524 HB3 ASN 63 HB3 ASN 63 -9.633 8.515 -2.404 525 HD21 ASN 63 HD21 ASN 63 -8.139 10.066 -4.906 526 HD22 ASN 63 HD22 ASN 63 -7.644 11.579 -4.123 527 H ILE 64 H ILE 64 -9.160 7.722 0.033 528 HA ILE 64 HA ILE 64 -9.754 4.854 -0.221 529 HB ILE 64 HB ILE 64 -7.690 4.637 0.940 530 HG12 ILE 64 HG12 ILE 64 -9.979 4.360 2.932 531 HG13 ILE 64 HG13 ILE 64 -9.537 3.188 1.687 532 HG21 ILE 64 HG21 ILE 64 -8.659 6.512 3.108 533 HG22 ILE 64 HG22 ILE 64 -7.037 5.781 2.937 534 HG23 ILE 64 HG23 ILE 64 -7.563 7.012 1.824 535 HD11 ILE 64 HD11 ILE 64 -8.686 2.499 3.872 536 HD12 ILE 64 HD12 ILE 64 -7.349 2.882 2.793 537 HD13 ILE 64 HD13 ILE 64 -7.819 4.039 4.067 538 H SER 65 H SER 65 -11.874 4.586 0.261 539 HA SER 65 HA SER 65 -13.559 6.606 1.222 540 HB2 SER 65 HB2 SER 65 -13.953 3.588 1.342 541 HB3 SER 65 HB3 SER 65 -15.230 4.814 1.247 542 HG SER 65 HG SER 65 -14.931 4.217 -0.857 543 H GLU 66 H GLU 66 -14.495 7.006 3.292 544 HA GLU 66 HA GLU 66 -12.716 6.738 5.424 545 HB2 GLU 66 HB2 GLU 66 -14.521 8.485 5.040 546 HB3 GLU 66 HB3 GLU 66 -15.674 7.319 5.716 547 HG2 GLU 66 HG2 GLU 66 -14.153 7.221 7.776 548 HG3 GLU 66 HG3 GLU 66 -13.199 8.518 7.062 549 H GLU 67 H GLU 67 -15.661 4.751 4.698 550 HA GLU 67 HA GLU 67 -15.729 3.244 7.020 551 HB2 GLU 67 HB2 GLU 67 -17.202 3.420 4.871 552 HB3 GLU 67 HB3 GLU 67 -16.311 2.020 4.348 553 HG2 GLU 67 HG2 GLU 67 -17.451 2.071 7.187 554 HG3 GLU 67 HG3 GLU 67 -18.531 1.937 5.844 555 H ASN 68 H ASN 68 -13.784 2.815 4.121 556 HA ASN 68 HA ASN 68 -12.500 0.286 4.921 557 HB2 ASN 68 HB2 ASN 68 -12.097 2.235 2.650 558 HB3 ASN 68 HB3 ASN 68 -10.702 1.284 3.142 559 HD21 ASN 68 HD21 ASN 68 -12.907 1.204 0.806 560 HD22 ASN 68 HD22 ASN 68 -13.081 -0.529 0.652 561 H TYR 69 H TYR 69 -11.612 3.745 4.924 562 HA TYR 69 HA TYR 69 -8.977 3.589 5.919 563 HB2 TYR 69 HB2 TYR 69 -10.097 5.614 5.012 564 HB3 TYR 69 HB3 TYR 69 -11.119 5.692 6.446 565 HD1 TYR 69 HD1 TYR 69 -10.160 6.188 8.705 566 HD2 TYR 69 HD2 TYR 69 -7.790 6.252 5.108 567 HE1 TYR 69 HE1 TYR 69 -8.384 7.277 9.923 568 HE2 TYR 69 HE2 TYR 69 -6.016 7.475 6.254 569 HH TYR 69 HH TYR 69 -6.197 8.081 9.827 570 H LYS 70 H LYS 70 -11.984 4.051 7.875 571 HA LYS 70 HA LYS 70 -10.668 3.806 10.376 572 HB2 LYS 70 HB2 LYS 70 -13.555 3.243 9.585 573 HB3 LYS 70 HB3 LYS 70 -12.972 3.300 11.255 574 HG2 LYS 70 HG2 LYS 70 -12.227 5.666 10.887 575 HG3 LYS 70 HG3 LYS 70 -12.954 5.610 9.270 576 HD2 LYS 70 HD2 LYS 70 -15.135 4.887 10.429 577 HD3 LYS 70 HD3 LYS 70 -14.358 5.304 11.958 578 HE2 LYS 70 HE2 LYS 70 -15.062 7.131 9.629 579 HE3 LYS 70 HE3 LYS 70 -15.727 7.145 11.259 580 HZ1 LYS 70 HZ1 LYS 70 -14.204 8.896 11.071 581 HZ2 LYS 70 HZ2 LYS 70 -12.991 7.962 10.487 582 HZ3 LYS 70 HZ3 LYS 70 -13.480 7.771 12.048 583 H LYS 71 H LYS 71 -11.408 1.311 8.079 584 HA LYS 71 HA LYS 71 -11.480 -0.809 10.096 585 HB2 LYS 71 HB2 LYS 71 -12.729 -0.683 7.716 586 HB3 LYS 71 HB3 LYS 71 -11.177 -1.225 7.102 587 HG2 LYS 71 HG2 LYS 71 -12.229 -3.210 7.369 588 HG3 LYS 71 HG3 LYS 71 -11.412 -3.121 8.930 589 HD2 LYS 71 HD2 LYS 71 -14.309 -2.349 8.373 590 HD3 LYS 71 HD3 LYS 71 -13.765 -3.844 9.158 591 HE2 LYS 71 HE2 LYS 71 -12.814 -2.529 11.032 592 HE3 LYS 71 HE3 LYS 71 -13.346 -1.033 10.238 593 HZ1 LYS 71 HZ1 LYS 71 -15.172 -3.133 11.168 594 HZ2 LYS 71 HZ2 LYS 71 -15.590 -1.689 10.470 595 HZ3 LYS 71 HZ3 LYS 71 -14.854 -1.674 11.921 596 H PHE 72 H PHE 72 -9.241 0.360 7.575 597 HA PHE 72 HA PHE 72 -7.320 -1.722 8.358 598 HB2 PHE 72 HB2 PHE 72 -7.413 0.385 6.189 599 HB3 PHE 72 HB3 PHE 72 -5.945 -0.515 6.540 600 HD1 PHE 72 HD2 PHE 72 -9.532 -0.942 5.417 601 HD2 PHE 72 HD1 PHE 72 -5.691 -2.840 5.904 602 HE1 PHE 72 HE2 PHE 72 -10.328 -2.876 4.143 603 HE2 PHE 72 HE1 PHE 72 -6.508 -4.801 4.704 604 HZ PHE 72 HZ PHE 72 -8.833 -4.844 3.779 605 H SER 73 H SER 73 -7.854 1.715 9.117 606 HA SER 73 HA SER 73 -5.292 2.345 10.122 607 HB2 SER 73 HB2 SER 73 -6.524 4.130 11.309 608 HB3 SER 73 HB3 SER 73 -7.073 3.975 9.622 609 HG SER 73 HG SER 73 -8.762 4.103 11.300 610 H LYS 74 H LYS 74 -7.462 0.019 11.264 611 HA LYS 74 HA LYS 74 -7.326 0.021 14.012 612 HB2 LYS 74 HB2 LYS 74 -8.354 -1.633 12.290 613 HB3 LYS 74 HB3 LYS 74 -6.842 -2.527 12.399 614 HG2 LYS 74 HG2 LYS 74 -8.617 -1.774 14.755 615 HG3 LYS 74 HG3 LYS 74 -8.874 -3.224 13.812 616 HD2 LYS 74 HD2 LYS 74 -6.315 -2.721 15.395 617 HD3 LYS 74 HD3 LYS 74 -7.742 -3.544 15.995 618 HE2 LYS 74 HE2 LYS 74 -7.439 -4.994 13.766 619 HE3 LYS 74 HE3 LYS 74 -5.759 -4.465 13.930 620 HZ1 LYS 74 HZ1 LYS 74 -5.928 -5.354 16.284 621 HZ2 LYS 74 HZ2 LYS 74 -6.043 -6.505 15.110 622 HZ3 LYS 74 HZ3 LYS 74 -7.390 -5.959 15.893 623 H LYS 75 H LYS 75 -4.767 -0.898 11.737 624 HA LYS 75 HA LYS 75 -2.747 -0.524 13.858 625 HB2 LYS 75 HB2 LYS 75 -3.587 -3.082 13.299 626 HB3 LYS 75 HB3 LYS 75 -2.318 -2.912 12.103 627 HG2 LYS 75 HG2 LYS 75 -2.012 -2.520 15.110 628 HG3 LYS 75 HG3 LYS 75 -1.660 -3.989 14.200 629 HD2 LYS 75 HD2 LYS 75 0.134 -2.785 12.946 630 HD3 LYS 75 HD3 LYS 75 -0.191 -1.354 13.936 631 HE2 LYS 75 HE2 LYS 75 1.738 -2.502 14.812 632 HE3 LYS 75 HE3 LYS 75 0.410 -2.541 15.970 633 HZ1 LYS 75 HZ1 LYS 75 1.265 -4.815 14.252 634 HZ2 LYS 75 HZ2 LYS 75 -0.014 -4.845 15.295 635 HZ3 LYS 75 HZ3 LYS 75 1.498 -4.642 15.858 636 H ILE 76 H ILE 76 -3.645 -0.648 10.394 637 HA ILE 76 HA ILE 76 -0.850 -0.528 9.548 638 HB ILE 76 HB ILE 76 -3.463 -0.571 7.980 639 HG12 ILE 76 HG12 ILE 76 -1.678 -3.000 8.317 640 HG13 ILE 76 HG13 ILE 76 -2.869 -2.672 9.570 641 HG21 ILE 76 HG21 ILE 76 -1.609 0.190 6.611 642 HG22 ILE 76 HG22 ILE 76 -0.581 -1.139 7.206 643 HG23 ILE 76 HG23 ILE 76 -1.959 -1.489 6.171 644 HD11 ILE 76 HD11 ILE 76 -3.598 -2.830 6.652 645 HD12 ILE 76 HD12 ILE 76 -3.684 -4.215 7.761 646 HD13 ILE 76 HD13 ILE 76 -4.694 -2.776 8.041 647 H GLU 77 H GLU 77 0.096 1.287 8.726 648 HA GLU 77 HA GLU 77 -1.104 3.958 9.160 649 HB2 GLU 77 HB2 GLU 77 1.639 2.899 8.401 650 HB3 GLU 77 HB3 GLU 77 1.237 4.621 8.581 651 HG2 GLU 77 HG2 GLU 77 0.600 4.350 10.877 652 HG3 GLU 77 HG3 GLU 77 0.624 2.605 10.804 653 H ILE 78 H ILE 78 -1.734 5.342 7.415 654 HA ILE 78 HA ILE 78 -1.671 4.101 4.718 655 HB ILE 78 HB ILE 78 -3.903 5.764 5.938 656 HG12 ILE 78 HG12 ILE 78 -3.501 2.772 5.561 657 HG13 ILE 78 HG13 ILE 78 -3.935 3.633 7.024 658 HG21 ILE 78 HG21 ILE 78 -5.090 5.108 3.810 659 HG22 ILE 78 HG22 ILE 78 -3.688 6.117 3.536 660 HG23 ILE 78 HG23 ILE 78 -3.557 4.393 3.230 661 HD11 ILE 78 HD11 ILE 78 -5.760 3.048 4.720 662 HD12 ILE 78 HD12 ILE 78 -5.857 2.480 6.390 663 HD13 ILE 78 HD13 ILE 78 -6.161 4.190 6.034 664 H TYR 79 H TYR 79 -0.466 5.104 3.334 665 HA TYR 79 HA TYR 79 0.467 7.857 3.867 666 HB2 TYR 79 HB2 TYR 79 1.643 5.442 2.498 667 HB3 TYR 79 HB3 TYR 79 2.295 7.055 2.289 668 HD1 TYR 79 HD2 TYR 79 1.587 4.486 4.978 669 HD2 TYR 79 HD1 TYR 79 3.571 8.165 3.935 670 HE1 TYR 79 HE2 TYR 79 3.096 4.252 6.954 671 HE2 TYR 79 HE1 TYR 79 5.124 7.895 5.820 672 HH TYR 79 HH TYR 79 5.932 5.447 7.148 673 H HIS 80 H HIS 80 0.471 9.417 2.307 674 HA HIS 80 HA HIS 80 -1.529 9.064 0.229 675 HB2 HIS 80 HB2 HIS 80 -0.978 11.176 1.751 676 HB3 HIS 80 HB3 HIS 80 0.178 11.542 0.490 677 HD1 HIS 80 HD1 HIS 80 -1.490 13.781 0.110 678 HD2 HIS 80 HD2 HIS 80 -3.057 9.988 -0.852 679 HE1 HIS 80 HE1 HIS 80 -3.643 14.167 -1.228 680 H ALA 81 H ALA 81 -1.054 8.537 -1.803 681 HA ALA 81 HA ALA 81 1.665 8.122 -2.759 682 HB1 ALA 81 HB1 ALA 81 0.566 7.741 -4.950 683 HB2 ALA 81 HB2 ALA 81 -0.250 6.817 -3.666 684 HB3 ALA 81 HB3 ALA 81 -0.967 8.322 -4.269 685 H GLU 82 H GLU 82 2.985 9.650 -3.486 686 HA GLU 82 HA GLU 82 2.112 12.434 -3.901 687 HB2 GLU 82 HB2 GLU 82 4.686 10.929 -3.457 688 HB3 GLU 82 HB3 GLU 82 4.795 12.462 -4.294 689 HG2 GLU 82 HG2 GLU 82 3.450 12.125 -1.585 690 HG3 GLU 82 HG3 GLU 82 5.128 12.621 -1.830 691 H GLY 83 H GLY 83 1.827 9.896 -5.938 692 HA2 GLY 83 HA2 GLY 83 1.876 11.486 -8.316 693 HA3 GLY 83 HA3 GLY 83 3.356 10.527 -8.145 694 H ASP 84 H ASP 84 2.210 9.788 -10.256 695 HA ASP 84 HA ASP 84 0.566 7.340 -9.776 696 HB2 ASP 84 HB2 ASP 84 1.426 8.817 -12.301 697 HB3 ASP 84 HB3 ASP 84 0.606 7.270 -12.309 698 H ASP 85 H ASP 85 3.775 8.475 -10.199 699 HA ASP 85 HA ASP 85 5.016 6.164 -11.424 700 HB2 ASP 85 HB2 ASP 85 5.999 8.584 -11.189 701 HB3 ASP 85 HB3 ASP 85 6.325 8.156 -9.576 702 H VAL 86 H VAL 86 4.559 4.289 -10.386 703 HA VAL 86 HA VAL 86 4.232 4.001 -7.564 704 HB VAL 86 HB VAL 86 4.947 2.036 -9.775 705 HG11 VAL 86 HG11 VAL 86 4.475 0.218 -8.085 706 HG12 VAL 86 HG12 VAL 86 6.019 1.070 -7.855 707 HG13 VAL 86 HG13 VAL 86 4.640 1.451 -6.818 708 HG21 VAL 86 HG21 VAL 86 2.476 2.407 -8.046 709 HG22 VAL 86 HG22 VAL 86 2.652 2.915 -9.747 710 HG23 VAL 86 HG23 VAL 86 2.703 1.199 -9.320 711 H ASP 87 H ASP 87 7.139 3.999 -9.663 712 HA ASP 87 HA ASP 87 8.873 2.821 -7.662 713 HB2 ASP 87 HB2 ASP 87 9.283 4.063 -10.378 714 HB3 ASP 87 HB3 ASP 87 10.635 3.827 -9.289 715 H LYS 88 H LYS 88 8.139 6.177 -8.782 716 HA LYS 88 HA LYS 88 9.975 7.396 -6.987 717 HB2 LYS 88 HB2 LYS 88 8.610 8.528 -8.821 718 HB3 LYS 88 HB3 LYS 88 7.230 8.503 -7.745 719 HG2 LYS 88 HG2 LYS 88 8.519 10.677 -7.863 720 HG3 LYS 88 HG3 LYS 88 8.157 10.066 -6.254 721 HD2 LYS 88 HD2 LYS 88 10.316 9.543 -5.729 722 HD3 LYS 88 HD3 LYS 88 10.826 9.346 -7.413 723 HE2 LYS 88 HE2 LYS 88 10.160 12.040 -6.158 724 HE3 LYS 88 HE3 LYS 88 11.783 11.335 -6.270 725 HZ1 LYS 88 HZ1 LYS 88 11.547 12.704 -8.129 726 HZ2 LYS 88 HZ2 LYS 88 10.077 12.116 -8.563 727 HZ3 LYS 88 HZ3 LYS 88 11.391 11.174 -8.710 728 H ASN 89 H ASN 89 6.694 6.211 -6.477 729 HA ASN 89 HA ASN 89 6.523 7.211 -3.753 730 HB2 ASN 89 HB2 ASN 89 4.876 5.390 -5.499 731 HB3 ASN 89 HB3 ASN 89 4.530 5.522 -3.771 732 HD21 ASN 89 HD21 ASN 89 4.626 7.319 -6.810 733 HD22 ASN 89 HD22 ASN 89 4.357 8.874 -6.101 734 H ILE 90 H ILE 90 7.801 4.273 -5.211 735 HA ILE 90 HA ILE 90 8.080 2.686 -2.835 736 HB ILE 90 HB ILE 90 9.329 2.796 -5.561 737 HG12 ILE 90 HG12 ILE 90 7.884 1.313 -6.218 738 HG13 ILE 90 HG13 ILE 90 8.377 0.217 -4.974 739 HG21 ILE 90 HG21 ILE 90 10.601 0.711 -5.086 740 HG22 ILE 90 HG22 ILE 90 11.225 2.175 -4.352 741 HG23 ILE 90 HG23 ILE 90 10.323 1.036 -3.353 742 HD11 ILE 90 HD11 ILE 90 6.032 0.482 -5.009 743 HD12 ILE 90 HD12 ILE 90 6.695 0.985 -3.445 744 HD13 ILE 90 HD13 ILE 90 6.146 2.204 -4.617 745 H SER 91 H SER 91 10.350 4.914 -4.618 746 HA SER 91 HA SER 91 12.378 4.553 -2.673 747 HB2 SER 91 HB2 SER 91 13.570 6.292 -3.852 748 HB3 SER 91 HB3 SER 91 12.780 5.195 -4.980 749 HG SER 91 HG SER 91 12.209 7.874 -4.380 750 H LEU 92 H LEU 92 9.864 7.038 -3.008 751 HA LEU 92 HA LEU 92 10.697 8.722 -0.834 752 HB2 LEU 92 HB2 LEU 92 7.978 8.156 -2.082 753 HB3 LEU 92 HB3 LEU 92 8.220 9.359 -0.827 754 HG LEU 92 HG LEU 92 9.707 9.524 -3.456 755 HD11 LEU 92 HD11 LEU 92 7.992 11.149 -4.163 756 HD12 LEU 92 HD12 LEU 92 7.069 10.854 -2.679 757 HD13 LEU 92 HD13 LEU 92 7.258 9.553 -3.877 758 HD21 LEU 92 HD21 LEU 92 9.988 11.864 -2.857 759 HD22 LEU 92 HD22 LEU 92 10.609 10.857 -1.550 760 HD23 LEU 92 HD23 LEU 92 9.023 11.652 -1.389 761 H PHE 93 H PHE 93 8.549 5.832 -0.983 762 HA PHE 93 HA PHE 93 7.602 6.059 1.646 763 HB2 PHE 93 HB2 PHE 93 6.497 4.606 0.074 764 HB3 PHE 93 HB3 PHE 93 7.941 3.632 -0.135 765 HD1 PHE 93 HD1 PHE 93 5.575 4.778 2.579 766 HD2 PHE 93 HD2 PHE 93 8.338 1.757 1.207 767 HE1 PHE 93 HE1 PHE 93 5.028 3.370 4.555 768 HE2 PHE 93 HE2 PHE 93 7.672 0.313 3.072 769 HZ PHE 93 HZ PHE 93 6.023 1.099 4.764 770 H ILE 94 H ILE 94 10.326 4.028 0.445 771 HA ILE 94 HA ILE 94 11.087 2.928 2.900 772 HB ILE 94 HB ILE 94 12.913 3.649 0.582 773 HG12 ILE 94 HG12 ILE 94 11.722 0.875 0.867 774 HG13 ILE 94 HG13 ILE 94 10.756 2.117 0.092 775 HG21 ILE 94 HG21 ILE 94 14.207 2.947 2.537 776 HG22 ILE 94 HG22 ILE 94 13.172 1.522 2.766 777 HG23 ILE 94 HG23 ILE 94 14.243 1.647 1.358 778 HD11 ILE 94 HD11 ILE 94 12.038 0.942 -1.609 779 HD12 ILE 94 HD12 ILE 94 12.600 2.610 -1.498 780 HD13 ILE 94 HD13 ILE 94 13.551 1.307 -0.758 781 H GLU 95 H GLU 95 12.104 6.056 1.380 782 HA GLU 95 HA GLU 95 13.970 6.695 3.470 783 HB2 GLU 95 HB2 GLU 95 12.581 8.273 1.274 784 HB3 GLU 95 HB3 GLU 95 13.510 9.100 2.520 785 HG2 GLU 95 HG2 GLU 95 15.311 7.208 1.897 786 HG3 GLU 95 HG3 GLU 95 14.430 7.197 0.374 787 H GLY 96 H GLY 96 10.516 6.750 3.461 788 HA2 GLY 96 HA2 GLY 96 9.143 7.274 5.299 789 HA3 GLY 96 HA3 GLY 96 10.471 8.116 6.080 790 H GLU 97 H GLU 97 10.156 8.994 2.739 791 HA GLU 97 HA GLU 97 9.687 11.747 3.502 792 HB2 GLU 97 HB2 GLU 97 10.215 10.239 0.937 793 HB3 GLU 97 HB3 GLU 97 9.454 11.825 0.842 794 HG2 GLU 97 HG2 GLU 97 11.556 12.405 2.485 795 HG3 GLU 97 HG3 GLU 97 12.257 11.106 1.520 796 H LEU 98 H LEU 98 7.520 9.149 2.495 797 HA LEU 98 HA LEU 98 5.481 10.931 1.363 798 HB2 LEU 98 HB2 LEU 98 5.294 8.072 2.395 799 HB3 LEU 98 HB3 LEU 98 3.973 8.948 1.625 800 HG LEU 98 HG LEU 98 6.579 8.102 0.294 801 HD11 LEU 98 HD11 LEU 98 5.127 6.617 -0.999 802 HD12 LEU 98 HD12 LEU 98 3.690 7.234 -0.159 803 HD13 LEU 98 HD13 LEU 98 4.913 6.302 0.732 804 HD21 LEU 98 HD21 LEU 98 5.855 10.236 -0.697 805 HD22 LEU 98 HD22 LEU 98 4.197 9.623 -0.863 806 HD23 LEU 98 HD23 LEU 98 5.509 8.908 -1.815 807 H SER 99 H SER 99 3.793 11.847 2.207 808 HA SER 99 HA SER 99 3.553 12.175 5.096 809 HB2 SER 99 HB2 SER 99 2.002 13.050 2.635 810 HB3 SER 99 HB3 SER 99 1.539 13.522 4.303 811 HG SER 99 HG SER 99 3.578 14.406 2.653 812 H LYS 100 H LYS 100 2.058 11.247 6.397 813 HA LYS 100 HA LYS 100 0.348 9.088 5.315 814 HB2 LYS 100 HB2 LYS 100 0.790 10.135 8.110 815 HB3 LYS 100 HB3 LYS 100 -0.459 8.945 7.699 816 HG2 LYS 100 HG2 LYS 100 1.213 7.406 6.761 817 HG3 LYS 100 HG3 LYS 100 2.502 8.544 7.094 818 HD2 LYS 100 HD2 LYS 100 0.805 7.082 9.140 819 HD3 LYS 100 HD3 LYS 100 2.524 6.834 8.808 820 HE2 LYS 100 HE2 LYS 100 1.193 9.291 9.990 821 HE3 LYS 100 HE3 LYS 100 2.237 8.155 10.834 822 HZ1 LYS 100 HZ1 LYS 100 3.356 10.270 10.108 823 HZ2 LYS 100 HZ2 LYS 100 3.191 9.815 8.549 824 HZ3 LYS 100 HZ3 LYS 100 4.094 8.913 9.547 825 H ILE 101 H ILE 101 -1.878 9.287 5.309 826 HA ILE 101 HA ILE 101 -2.753 11.920 4.548 827 HB ILE 101 HB ILE 101 -4.053 9.211 4.835 828 HG12 ILE 101 HG12 ILE 101 -3.920 10.871 2.309 829 HG13 ILE 101 HG13 ILE 101 -2.414 10.201 2.938 830 HG21 ILE 101 HG21 ILE 101 -5.994 10.339 3.505 831 HG22 ILE 101 HG22 ILE 101 -5.984 10.444 5.274 832 HG23 ILE 101 HG23 ILE 101 -5.472 11.826 4.266 833 HD11 ILE 101 HD11 ILE 101 -4.824 8.445 2.537 834 HD12 ILE 101 HD12 ILE 101 -3.574 8.744 1.287 835 HD13 ILE 101 HD13 ILE 101 -3.112 8.002 2.817 836 H SER 102 H SER 102 -3.192 9.964 7.467 837 HA SER 102 HA SER 102 -4.354 10.265 9.382 838 HB2 SER 102 HB2 SER 102 -3.311 13.089 9.062 839 HB3 SER 102 HB3 SER 102 -3.758 12.285 10.577 840 HG SER 102 HG SER 102 -1.498 12.269 10.086 841 H ASN 103 H ASN 103 -6.171 9.894 7.923 842 HA ASN 103 HA ASN 103 -8.244 9.933 7.358 843 HB2 ASN 103 HB2 ASN 103 -9.836 10.721 8.868 844 HB3 ASN 103 HB3 ASN 103 -8.414 10.360 9.822 845 HD21 ASN 103 HD21 ASN 103 -10.348 13.108 8.354 846 HD22 ASN 103 HD22 ASN 103 -9.768 14.286 9.451 847 HA PRO 104 HA PRO 104 -9.467 13.272 4.575 848 HB2 PRO 104 HB2 PRO 104 -12.084 12.648 4.130 849 HB3 PRO 104 HB3 PRO 104 -10.747 11.747 3.367 850 HG2 PRO 104 HG2 PRO 104 -12.383 11.009 5.811 851 HG3 PRO 104 HG3 PRO 104 -11.871 9.944 4.482 852 HD2 PRO 104 HD2 PRO 104 -10.555 10.092 6.897 853 HD3 PRO 104 HD3 PRO 104 -9.728 9.693 5.383 Start of MODEL 7 1 H1 GLY -2 H GLY -2 22.302 1.573 8.700 2 HA2 GLY -2 HA2 GLY -2 20.351 1.099 10.098 3 HA3 GLY -2 HA3 GLY -2 19.962 2.337 8.883 4 H HIS -1 H HIS -1 19.266 1.428 6.696 5 HA HIS -1 HA HIS -1 18.154 0.260 5.305 6 HB2 HIS -1 HB2 HIS -1 19.045 -2.160 6.886 7 HB3 HIS -1 HB3 HIS -1 18.456 -2.145 5.215 8 HD1 HIS -1 HD1 HIS -1 21.519 -2.768 6.669 9 HD2 HIS -1 HD2 HIS -1 20.104 -0.279 3.580 10 HE1 HIS -1 HE1 HIS -1 23.476 -2.384 5.101 11 H MET 1 H MET 1 16.602 -2.216 5.592 12 HA MET 1 HA MET 1 14.768 -1.779 7.682 13 HB2 MET 1 HB2 MET 1 13.755 -0.104 6.082 14 HB3 MET 1 HB3 MET 1 13.618 -1.426 4.897 15 HG2 MET 1 HG2 MET 1 11.509 -0.989 6.206 16 HG3 MET 1 HG3 MET 1 12.110 -2.641 6.306 17 HE1 MET 1 HE1 MET 1 10.554 -3.222 8.044 18 HE2 MET 1 HE2 MET 1 10.763 -2.897 9.749 19 HE3 MET 1 HE3 MET 1 9.852 -1.743 8.737 20 H ILE 2 H ILE 2 14.050 -3.820 8.237 21 HA ILE 2 HA ILE 2 14.192 -6.041 6.276 22 HB ILE 2 HB ILE 2 14.264 -6.166 9.333 23 HG12 ILE 2 HG12 ILE 2 16.774 -6.823 8.829 24 HG13 ILE 2 HG13 ILE 2 16.542 -5.800 7.447 25 HG21 ILE 2 HG21 ILE 2 13.586 -8.184 8.245 26 HG22 ILE 2 HG22 ILE 2 15.009 -8.162 7.190 27 HG23 ILE 2 HG23 ILE 2 15.180 -8.407 8.955 28 HD11 ILE 2 HD11 ILE 2 17.591 -4.605 9.341 29 HD12 ILE 2 HD12 ILE 2 16.020 -3.881 9.029 30 HD13 ILE 2 HD13 ILE 2 16.211 -5.007 10.387 31 H ASN 3 H ASN 3 12.324 -7.571 6.426 32 HA ASN 3 HA ASN 3 10.289 -8.320 6.814 33 HB2 ASN 3 HB2 ASN 3 10.303 -6.780 9.440 34 HB3 ASN 3 HB3 ASN 3 9.279 -8.142 9.028 35 HD21 ASN 3 HD21 ASN 3 10.979 -7.913 11.330 36 HD22 ASN 3 HD22 ASN 3 11.977 -9.344 11.262 37 H MET 4 H MET 4 10.454 -5.366 5.672 38 HA MET 4 HA MET 4 7.935 -4.179 6.636 39 HB2 MET 4 HB2 MET 4 9.998 -2.860 6.037 40 HB3 MET 4 HB3 MET 4 9.852 -3.392 4.426 41 HG2 MET 4 HG2 MET 4 8.791 -1.459 4.069 42 HG3 MET 4 HG3 MET 4 7.382 -2.176 4.829 43 HE1 MET 4 HE1 MET 4 10.294 0.206 4.909 44 HE2 MET 4 HE2 MET 4 8.956 1.365 4.949 45 HE3 MET 4 HE3 MET 4 10.034 1.226 6.337 46 H LYS 5 H LYS 5 6.144 -3.794 5.178 47 HA LYS 5 HA LYS 5 6.072 -5.176 2.561 48 HB2 LYS 5 HB2 LYS 5 4.689 -6.116 5.026 49 HB3 LYS 5 HB3 LYS 5 3.600 -5.836 3.670 50 HG2 LYS 5 HG2 LYS 5 4.396 -7.532 2.409 51 HG3 LYS 5 HG3 LYS 5 6.040 -7.311 2.964 52 HD2 LYS 5 HD2 LYS 5 4.312 -8.294 5.149 53 HD3 LYS 5 HD3 LYS 5 4.333 -9.373 3.750 54 HE2 LYS 5 HE2 LYS 5 6.726 -9.430 3.686 55 HE3 LYS 5 HE3 LYS 5 6.852 -8.271 5.023 56 HZ1 LYS 5 HZ1 LYS 5 7.100 -10.670 5.559 57 HZ2 LYS 5 HZ2 LYS 5 5.492 -10.877 5.324 58 HZ3 LYS 5 HZ3 LYS 5 6.025 -9.817 6.500 59 H VAL 6 H VAL 6 4.633 -3.948 1.174 60 HA VAL 6 HA VAL 6 2.760 -2.040 2.431 61 HB VAL 6 HB VAL 6 4.750 -1.538 0.171 62 HG11 VAL 6 HG11 VAL 6 3.722 0.691 -0.133 63 HG12 VAL 6 HG12 VAL 6 2.611 -0.582 -0.598 64 HG13 VAL 6 HG13 VAL 6 2.403 0.244 0.971 65 HG21 VAL 6 HG21 VAL 6 4.255 -0.089 2.753 66 HG22 VAL 6 HG22 VAL 6 5.657 -1.114 2.320 67 HG23 VAL 6 HG23 VAL 6 5.361 0.391 1.440 68 H ALA 7 H ALA 7 0.821 -1.864 1.390 69 HA ALA 7 HA ALA 7 0.367 -3.595 -1.018 70 HB1 ALA 7 HB1 ALA 7 -1.149 -4.155 0.824 71 HB2 ALA 7 HB2 ALA 7 -1.632 -2.445 0.967 72 HB3 ALA 7 HB3 ALA 7 -2.026 -3.359 -0.501 73 H ILE 8 H ILE 8 0.985 -2.288 -2.705 74 HA ILE 8 HA ILE 8 0.086 0.526 -2.814 75 HB ILE 8 HB ILE 8 1.494 -1.139 -4.971 76 HG12 ILE 8 HG12 ILE 8 2.686 0.777 -2.914 77 HG13 ILE 8 HG13 ILE 8 2.931 -0.971 -2.955 78 HG21 ILE 8 HG21 ILE 8 1.923 1.028 -6.010 79 HG22 ILE 8 HG22 ILE 8 0.220 0.868 -5.727 80 HG23 ILE 8 HG23 ILE 8 1.181 1.887 -4.636 81 HD11 ILE 8 HD11 ILE 8 3.888 1.033 -5.029 82 HD12 ILE 8 HD12 ILE 8 4.871 0.123 -3.897 83 HD13 ILE 8 HD13 ILE 8 4.019 -0.732 -5.209 84 H SER 9 H SER 9 -2.121 0.818 -3.488 85 HA SER 9 HA SER 9 -3.536 -1.381 -4.766 86 HB2 SER 9 HB2 SER 9 -5.362 0.162 -4.721 87 HB3 SER 9 HB3 SER 9 -4.611 0.353 -3.295 88 HG SER 9 HG SER 9 -5.306 2.229 -4.540 89 H MET 10 H MET 10 -3.809 -1.532 -7.143 90 HA MET 10 HA MET 10 -2.295 0.411 -8.805 91 HB2 MET 10 HB2 MET 10 -2.145 -2.615 -8.673 92 HB3 MET 10 HB3 MET 10 -1.573 -1.665 -10.057 93 HG2 MET 10 HG2 MET 10 -0.548 -1.368 -7.209 94 HG3 MET 10 HG3 MET 10 0.213 -2.332 -8.474 95 HE1 MET 10 HE1 MET 10 1.643 -1.674 -10.234 96 HE2 MET 10 HE2 MET 10 0.283 -0.912 -11.093 97 HE3 MET 10 HE3 MET 10 1.829 -0.048 -10.899 98 H ASP 11 H ASP 11 -3.153 0.673 -10.866 99 HA ASP 11 HA ASP 11 -5.874 -0.381 -11.377 100 HB2 ASP 11 HB2 ASP 11 -4.795 2.076 -11.720 101 HB3 ASP 11 HB3 ASP 11 -4.233 1.422 -13.221 102 H VAL 12 H VAL 12 -2.783 -0.118 -13.293 103 HA VAL 12 HA VAL 12 -3.237 -2.785 -14.406 104 HB VAL 12 HB VAL 12 -3.110 -0.205 -16.051 105 HG11 VAL 12 HG11 VAL 12 -3.230 -3.062 -17.088 106 HG12 VAL 12 HG12 VAL 12 -3.179 -1.578 -18.052 107 HG13 VAL 12 HG13 VAL 12 -1.770 -2.052 -17.101 108 HG21 VAL 12 HG21 VAL 12 -5.407 -0.634 -15.285 109 HG22 VAL 12 HG22 VAL 12 -5.280 -0.985 -17.002 110 HG23 VAL 12 HG23 VAL 12 -5.302 -2.318 -15.836 111 H ASP 13 H ASP 13 -1.173 -0.092 -15.511 112 HA ASP 13 HA ASP 13 1.119 -1.581 -14.454 113 HB2 ASP 13 HB2 ASP 13 0.638 0.265 -16.774 114 HB3 ASP 13 HB3 ASP 13 2.256 0.235 -16.094 115 H LYS 14 H LYS 14 -0.660 1.014 -13.363 116 HA LYS 14 HA LYS 14 1.515 1.998 -11.673 117 HB2 LYS 14 HB2 LYS 14 1.096 4.355 -12.240 118 HB3 LYS 14 HB3 LYS 14 1.766 3.440 -13.555 119 HG2 LYS 14 HG2 LYS 14 -0.946 3.220 -14.096 120 HG3 LYS 14 HG3 LYS 14 -0.898 4.754 -13.236 121 HD2 LYS 14 HD2 LYS 14 -0.803 5.152 -15.615 122 HD3 LYS 14 HD3 LYS 14 0.733 5.624 -14.900 123 HE2 LYS 14 HE2 LYS 14 1.683 3.391 -15.601 124 HE3 LYS 14 HE3 LYS 14 0.143 3.030 -16.400 125 HZ1 LYS 14 HZ1 LYS 14 1.845 3.904 -17.877 126 HZ2 LYS 14 HZ2 LYS 14 1.916 5.311 -17.066 127 HZ3 LYS 14 HZ3 LYS 14 0.532 4.893 -17.868 128 H ILE 15 H ILE 15 0.473 3.848 -10.193 129 HA ILE 15 HA ILE 15 -1.605 2.538 -8.743 130 HB ILE 15 HB ILE 15 -0.663 5.431 -8.603 131 HG12 ILE 15 HG12 ILE 15 0.316 3.134 -6.846 132 HG13 ILE 15 HG13 ILE 15 1.160 3.561 -8.323 133 HG21 ILE 15 HG21 ILE 15 -1.464 5.295 -6.225 134 HG22 ILE 15 HG22 ILE 15 -2.792 4.992 -7.347 135 HG23 ILE 15 HG23 ILE 15 -2.019 3.641 -6.505 136 HD11 ILE 15 HD11 ILE 15 0.750 5.469 -6.015 137 HD12 ILE 15 HD12 ILE 15 2.237 4.595 -6.418 138 HD13 ILE 15 HD13 ILE 15 1.604 5.813 -7.536 139 H SER 16 H SER 16 -3.862 2.962 -8.674 140 HA SER 16 HA SER 16 -5.149 4.160 -10.980 141 HB2 SER 16 HB2 SER 16 -6.198 2.158 -9.965 142 HB3 SER 16 HB3 SER 16 -6.194 2.898 -8.401 143 HG SER 16 HG SER 16 -7.954 3.478 -10.472 144 H ASN 17 H ASN 17 -6.015 4.701 -7.595 145 HA ASN 17 HA ASN 17 -5.356 7.440 -7.171 146 HB2 ASN 17 HB2 ASN 17 -6.878 7.829 -9.160 147 HB3 ASN 17 HB3 ASN 17 -8.096 6.769 -8.424 148 HD21 ASN 17 HD21 ASN 17 -9.830 7.978 -7.716 149 HD22 ASN 17 HD22 ASN 17 -9.696 9.540 -6.961 150 H SER 18 H SER 18 -7.562 4.665 -6.542 151 HA SER 18 HA SER 18 -7.399 5.580 -3.751 152 HB2 SER 18 HB2 SER 18 -10.096 4.656 -4.132 153 HB3 SER 18 HB3 SER 18 -9.499 6.175 -3.510 154 HG SER 18 HG SER 18 -10.909 6.062 -5.507 155 H PHE 19 H PHE 19 -8.064 3.925 -2.191 156 HA PHE 19 HA PHE 19 -7.065 1.269 -2.759 157 HB2 PHE 19 HB2 PHE 19 -7.144 2.443 -0.504 158 HB3 PHE 19 HB3 PHE 19 -8.875 2.330 -0.552 159 HD1 PHE 19 HD2 PHE 19 -10.033 0.070 -0.346 160 HD2 PHE 19 HD1 PHE 19 -5.760 0.500 0.124 161 HE1 PHE 19 HE2 PHE 19 -9.916 -2.111 0.757 162 HE2 PHE 19 HE1 PHE 19 -5.648 -1.700 1.203 163 HZ PHE 19 HZ PHE 19 -7.708 -3.016 1.563 164 H GLU 20 H GLU 20 -10.256 2.853 -2.699 165 HA GLU 20 HA GLU 20 -11.701 0.393 -3.050 166 HB2 GLU 20 HB2 GLU 20 -12.094 3.071 -2.010 167 HB3 GLU 20 HB3 GLU 20 -13.348 2.737 -3.172 168 HG2 GLU 20 HG2 GLU 20 -12.910 0.472 -1.324 169 HG3 GLU 20 HG3 GLU 20 -13.264 1.984 -0.500 170 H ASP 21 H ASP 21 -10.101 2.174 -5.292 171 HA ASP 21 HA ASP 21 -12.086 1.597 -7.466 172 HB2 ASP 21 HB2 ASP 21 -11.001 4.113 -6.650 173 HB3 ASP 21 HB3 ASP 21 -10.160 3.711 -8.124 174 H CYS 22 H CYS 22 -9.174 0.756 -6.151 175 HA CYS 22 HA CYS 22 -7.529 0.424 -8.562 176 HB2 CYS 22 HB2 CYS 22 -5.982 -0.644 -7.093 177 HB3 CYS 22 HB3 CYS 22 -6.648 0.657 -6.113 178 HG CYS 22 HG CYS 22 -8.453 -0.902 -4.864 179 H LYS 23 H LYS 23 -6.715 -1.603 -9.068 180 HA LYS 23 HA LYS 23 -8.931 -3.556 -9.454 181 HB2 LYS 23 HB2 LYS 23 -6.936 -2.219 -11.190 182 HB3 LYS 23 HB3 LYS 23 -6.885 -3.857 -11.394 183 HG2 LYS 23 HG2 LYS 23 -9.434 -2.235 -11.570 184 HG3 LYS 23 HG3 LYS 23 -8.504 -2.781 -12.953 185 HD2 LYS 23 HD2 LYS 23 -9.617 -4.813 -11.001 186 HD3 LYS 23 HD3 LYS 23 -10.662 -4.050 -12.194 187 HE2 LYS 23 HE2 LYS 23 -9.011 -4.807 -13.996 188 HE3 LYS 23 HE3 LYS 23 -8.223 -5.786 -12.758 189 HZ1 LYS 23 HZ1 LYS 23 -10.434 -6.913 -12.440 190 HZ2 LYS 23 HZ2 LYS 23 -9.836 -7.112 -13.942 191 HZ3 LYS 23 HZ3 LYS 23 -11.031 -6.029 -13.680 192 H TYR 24 H TYR 24 -5.695 -3.129 -8.148 193 HA TYR 24 HA TYR 24 -5.919 -5.698 -6.964 194 HB2 TYR 24 HB2 TYR 24 -3.998 -6.752 -7.846 195 HB3 TYR 24 HB3 TYR 24 -5.024 -6.382 -9.196 196 HD1 TYR 24 HD1 TYR 24 -4.497 -4.286 -10.622 197 HD2 TYR 24 HD2 TYR 24 -1.658 -6.289 -8.006 198 HE1 TYR 24 HE1 TYR 24 -2.590 -3.503 -11.986 199 HE2 TYR 24 HE2 TYR 24 0.143 -5.405 -9.132 200 HH TYR 24 HH TYR 24 -0.276 -3.475 -12.251 201 H PHE 25 H PHE 25 -3.960 -6.209 -5.686 202 HA PHE 25 HA PHE 25 -2.783 -3.789 -4.437 203 HB2 PHE 25 HB2 PHE 25 -3.490 -6.504 -3.242 204 HB3 PHE 25 HB3 PHE 25 -2.777 -5.142 -2.384 205 HD1 PHE 25 HD2 PHE 25 -4.091 -2.860 -2.650 206 HD2 PHE 25 HD1 PHE 25 -5.845 -6.754 -3.208 207 HE1 PHE 25 HE2 PHE 25 -6.362 -1.910 -2.172 208 HE2 PHE 25 HE1 PHE 25 -8.102 -5.801 -2.764 209 HZ PHE 25 HZ PHE 25 -8.357 -3.383 -2.244 210 H LEU 26 H LEU 26 -0.846 -3.658 -5.354 211 HA LEU 26 HA LEU 26 0.807 -5.989 -5.863 212 HB2 LEU 26 HB2 LEU 26 0.735 -3.972 -7.295 213 HB3 LEU 26 HB3 LEU 26 1.587 -3.055 -6.052 214 HG LEU 26 HG LEU 26 3.617 -4.123 -6.523 215 HD11 LEU 26 HD11 LEU 26 3.176 -6.438 -6.288 216 HD12 LEU 26 HD12 LEU 26 3.747 -6.252 -7.944 217 HD13 LEU 26 HD13 LEU 26 2.000 -6.455 -7.656 218 HD21 LEU 26 HD21 LEU 26 2.653 -2.882 -8.528 219 HD22 LEU 26 HD22 LEU 26 2.163 -4.472 -9.201 220 HD23 LEU 26 HD23 LEU 26 3.886 -4.099 -8.939 221 H ILE 27 H ILE 27 1.326 -6.996 -4.071 222 HA ILE 27 HA ILE 27 1.937 -5.818 -1.500 223 HB ILE 27 HB ILE 27 2.251 -8.671 -2.543 224 HG12 ILE 27 HG12 ILE 27 -0.042 -8.312 -2.850 225 HG13 ILE 27 HG13 ILE 27 0.074 -9.078 -1.277 226 HG21 ILE 27 HG21 ILE 27 2.429 -9.525 -0.455 227 HG22 ILE 27 HG22 ILE 27 3.453 -8.090 -0.358 228 HG23 ILE 27 HG23 ILE 27 1.817 -8.094 0.342 229 HD11 ILE 27 HD11 ILE 27 -0.044 -6.672 -0.287 230 HD12 ILE 27 HD12 ILE 27 -0.536 -6.163 -1.909 231 HD13 ILE 27 HD13 ILE 27 -1.523 -7.324 -1.023 232 H VAL 28 H VAL 28 3.781 -4.590 -1.566 233 HA VAL 28 HA VAL 28 6.242 -5.610 -2.894 234 HB VAL 28 HB VAL 28 5.792 -2.935 -1.476 235 HG11 VAL 28 HG11 VAL 28 8.167 -3.704 -1.933 236 HG12 VAL 28 HG12 VAL 28 7.763 -3.676 -3.664 237 HG13 VAL 28 HG13 VAL 28 7.718 -2.182 -2.710 238 HG21 VAL 28 HG21 VAL 28 5.569 -1.948 -3.728 239 HG22 VAL 28 HG22 VAL 28 5.312 -3.573 -4.403 240 HG23 VAL 28 HG23 VAL 28 4.172 -2.890 -3.209 241 H ARG 29 H ARG 29 7.382 -7.003 -1.489 242 HA ARG 29 HA ARG 29 7.405 -6.207 1.391 243 HB2 ARG 29 HB2 ARG 29 7.668 -8.322 2.076 244 HB3 ARG 29 HB3 ARG 29 6.694 -8.596 0.638 245 HG2 ARG 29 HG2 ARG 29 8.200 -10.192 0.317 246 HG3 ARG 29 HG3 ARG 29 9.108 -8.832 -0.391 247 HD2 ARG 29 HD2 ARG 29 10.552 -8.698 1.508 248 HD3 ARG 29 HD3 ARG 29 9.383 -9.525 2.552 249 HE ARG 29 HE ARG 29 10.396 -11.223 0.419 250 HH11 ARG 29 HH11 ARG 29 10.985 -10.193 3.841 251 HH12 ARG 29 HH12 ARG 29 11.973 -11.580 4.119 252 HH21 ARG 29 HH21 ARG 29 11.701 -12.947 0.929 253 HH22 ARG 29 HH22 ARG 29 12.395 -13.086 2.533 254 H ILE 30 H ILE 30 9.324 -5.751 2.404 255 HA ILE 30 HA ILE 30 11.647 -5.198 0.638 256 HB ILE 30 HB ILE 30 10.011 -3.375 2.430 257 HG12 ILE 30 HG12 ILE 30 11.014 -2.518 -0.271 258 HG13 ILE 30 HG13 ILE 30 9.664 -3.651 -0.187 259 HG21 ILE 30 HG21 ILE 30 12.302 -2.954 3.139 260 HG22 ILE 30 HG22 ILE 30 12.812 -2.771 1.449 261 HG23 ILE 30 HG23 ILE 30 11.728 -1.585 2.184 262 HD11 ILE 30 HD11 ILE 30 9.741 -0.962 1.220 263 HD12 ILE 30 HD12 ILE 30 8.811 -1.367 -0.245 264 HD13 ILE 30 HD13 ILE 30 8.424 -2.152 1.310 265 H ASP 31 H ASP 31 13.385 -5.947 1.543 266 HA ASP 31 HA ASP 31 13.380 -6.676 4.444 267 HB2 ASP 31 HB2 ASP 31 12.361 -8.448 2.895 268 HB3 ASP 31 HB3 ASP 31 13.999 -8.704 2.293 269 H ASP 32 H ASP 32 14.959 -5.125 2.253 270 HA ASP 32 HA ASP 32 16.988 -4.808 4.001 271 HB2 ASP 32 HB2 ASP 32 18.088 -6.759 2.763 272 HB3 ASP 32 HB3 ASP 32 18.233 -5.709 1.358 273 H ASN 33 H ASN 33 15.331 -3.169 3.558 274 HA ASN 33 HA ASN 33 14.743 -1.063 2.964 275 HB2 ASN 33 HB2 ASN 33 17.266 -0.963 3.726 276 HB3 ASN 33 HB3 ASN 33 17.562 -0.497 2.084 277 HD21 ASN 33 HD21 ASN 33 15.150 0.333 4.721 278 HD22 ASN 33 HD22 ASN 33 15.396 2.046 4.475 279 H GLU 34 H GLU 34 15.306 -3.183 0.606 280 HA GLU 34 HA GLU 34 14.561 -1.532 -1.695 281 HB2 GLU 34 HB2 GLU 34 16.854 -2.149 -1.824 282 HB3 GLU 34 HB3 GLU 34 16.546 -3.741 -1.091 283 HG2 GLU 34 HG2 GLU 34 15.508 -4.504 -3.098 284 HG3 GLU 34 HG3 GLU 34 15.726 -2.937 -3.890 285 H VAL 35 H VAL 35 13.354 -2.846 -3.168 286 HA VAL 35 HA VAL 35 11.305 -4.516 -1.914 287 HB VAL 35 HB VAL 35 10.491 -3.050 -3.545 288 HG11 VAL 35 HG11 VAL 35 11.167 -2.969 -5.913 289 HG12 VAL 35 HG12 VAL 35 12.480 -2.477 -4.851 290 HG13 VAL 35 HG13 VAL 35 12.496 -4.093 -5.584 291 HG21 VAL 35 HG21 VAL 35 9.531 -5.355 -3.584 292 HG22 VAL 35 HG22 VAL 35 9.379 -4.499 -5.133 293 HG23 VAL 35 HG23 VAL 35 10.608 -5.756 -4.941 294 H LYS 36 H LYS 36 11.380 -6.636 -1.693 295 HA LYS 36 HA LYS 36 13.527 -8.157 -3.133 296 HB2 LYS 36 HB2 LYS 36 12.281 -8.755 -0.413 297 HB3 LYS 36 HB3 LYS 36 13.569 -9.652 -1.214 298 HG2 LYS 36 HG2 LYS 36 13.743 -6.869 -0.010 299 HG3 LYS 36 HG3 LYS 36 14.640 -8.342 0.399 300 HD2 LYS 36 HD2 LYS 36 15.515 -8.289 -1.937 301 HD3 LYS 36 HD3 LYS 36 15.040 -6.586 -2.012 302 HE2 LYS 36 HE2 LYS 36 16.553 -6.055 -0.168 303 HE3 LYS 36 HE3 LYS 36 16.851 -7.781 0.124 304 HZ1 LYS 36 HZ1 LYS 36 17.815 -6.146 -2.114 305 HZ2 LYS 36 HZ2 LYS 36 17.670 -7.774 -2.293 306 HZ3 LYS 36 HZ3 LYS 36 18.658 -7.138 -1.153 307 H SER 37 H SER 37 10.038 -8.271 -2.214 308 HA SER 37 HA SER 37 9.742 -10.166 -4.453 309 HB2 SER 37 HB2 SER 37 9.166 -10.717 -1.572 310 HB3 SER 37 HB3 SER 37 7.833 -11.063 -2.673 311 HG SER 37 HG SER 37 9.020 -12.437 -3.767 312 H THR 38 H THR 38 8.142 -9.437 -5.789 313 HA THR 38 HA THR 38 6.090 -7.621 -4.693 314 HB THR 38 HB THR 38 5.444 -7.568 -7.182 315 HG1 THR 38 HG1 THR 38 6.877 -8.175 -8.615 316 HG21 THR 38 HG21 THR 38 6.452 -5.654 -6.006 317 HG22 THR 38 HG22 THR 38 7.015 -5.772 -7.677 318 HG23 THR 38 HG23 THR 38 8.081 -6.296 -6.356 319 H LYS 39 H LYS 39 3.881 -8.251 -4.918 320 HA LYS 39 HA LYS 39 3.213 -10.875 -6.152 321 HB2 LYS 39 HB2 LYS 39 3.129 -10.272 -3.311 322 HB3 LYS 39 HB3 LYS 39 1.473 -10.248 -3.888 323 HG2 LYS 39 HG2 LYS 39 1.520 -12.330 -3.446 324 HG3 LYS 39 HG3 LYS 39 2.233 -12.548 -5.061 325 HD2 LYS 39 HD2 LYS 39 4.425 -11.861 -3.433 326 HD3 LYS 39 HD3 LYS 39 3.470 -12.863 -2.359 327 HE2 LYS 39 HE2 LYS 39 4.283 -13.570 -5.215 328 HE3 LYS 39 HE3 LYS 39 5.232 -14.045 -3.805 329 HZ1 LYS 39 HZ1 LYS 39 2.523 -14.947 -4.473 330 HZ2 LYS 39 HZ2 LYS 39 3.254 -15.319 -3.038 331 HZ3 LYS 39 HZ3 LYS 39 3.860 -15.838 -4.491 332 H VAL 40 H VAL 40 1.147 -10.526 -7.344 333 HA VAL 40 HA VAL 40 -0.483 -8.354 -6.400 334 HB VAL 40 HB VAL 40 -0.012 -7.754 -8.244 335 HG11 VAL 40 HG11 VAL 40 1.216 -9.362 -9.447 336 HG12 VAL 40 HG12 VAL 40 -0.313 -10.230 -9.868 337 HG13 VAL 40 HG13 VAL 40 0.000 -8.477 -10.320 338 HG21 VAL 40 HG21 VAL 40 -2.141 -8.061 -9.676 339 HG22 VAL 40 HG22 VAL 40 -2.382 -9.657 -8.964 340 HG23 VAL 40 HG23 VAL 40 -2.610 -8.248 -7.982 341 H ILE 41 H ILE 41 -2.337 -8.543 -5.622 342 HA ILE 41 HA ILE 41 -3.872 -11.076 -5.599 343 HB ILE 41 HB ILE 41 -3.690 -8.896 -3.433 344 HG12 ILE 41 HG12 ILE 41 -2.685 -11.760 -3.165 345 HG13 ILE 41 HG13 ILE 41 -1.652 -10.346 -3.401 346 HG21 ILE 41 HG21 ILE 41 -5.943 -9.943 -3.695 347 HG22 ILE 41 HG22 ILE 41 -5.239 -11.524 -3.337 348 HG23 ILE 41 HG23 ILE 41 -5.225 -10.235 -2.121 349 HD11 ILE 41 HD11 ILE 41 -3.394 -10.929 -1.000 350 HD12 ILE 41 HD12 ILE 41 -1.633 -10.772 -1.079 351 HD13 ILE 41 HD13 ILE 41 -2.662 -9.339 -1.307 352 H PHE 42 H PHE 42 -5.773 -10.536 -6.852 353 HA PHE 42 HA PHE 42 -6.060 -7.848 -7.835 354 HB2 PHE 42 HB2 PHE 42 -7.929 -10.266 -7.822 355 HB3 PHE 42 HB3 PHE 42 -8.304 -8.758 -8.640 356 HD1 PHE 42 HD2 PHE 42 -6.250 -7.827 -10.163 357 HD2 PHE 42 HD1 PHE 42 -7.111 -11.955 -9.271 358 HE1 PHE 42 HE2 PHE 42 -4.970 -8.507 -12.163 359 HE2 PHE 42 HE1 PHE 42 -6.005 -12.620 -11.405 360 HZ PHE 42 HZ PHE 42 -4.934 -10.902 -12.840 361 H ASN 43 H ASN 43 -8.063 -6.576 -7.600 362 HA ASN 43 HA ASN 43 -9.043 -6.367 -4.822 363 HB2 ASN 43 HB2 ASN 43 -8.416 -4.280 -6.041 364 HB3 ASN 43 HB3 ASN 43 -9.624 -4.666 -7.285 365 HD21 ASN 43 HD21 ASN 43 -10.722 -2.622 -6.777 366 HD22 ASN 43 HD22 ASN 43 -11.677 -2.483 -5.314 367 H ASP 44 H ASP 44 -10.429 -8.029 -4.503 368 HA ASP 44 HA ASP 44 -12.688 -8.622 -6.313 369 HB2 ASP 44 HB2 ASP 44 -10.189 -10.272 -6.051 370 HB3 ASP 44 HB3 ASP 44 -11.696 -11.158 -6.082 371 H GLU 45 H GLU 45 -12.502 -7.559 -3.777 372 HA GLU 45 HA GLU 45 -13.280 -7.567 -1.667 373 HB2 GLU 45 HB2 GLU 45 -15.337 -8.362 -2.634 374 HB3 GLU 45 HB3 GLU 45 -14.803 -10.043 -2.497 375 HG2 GLU 45 HG2 GLU 45 -14.671 -9.765 0.007 376 HG3 GLU 45 HG3 GLU 45 -15.218 -8.096 -0.180 377 H SER 46 H SER 46 -12.731 -11.093 -2.225 378 HA SER 46 HA SER 46 -11.604 -11.475 0.395 379 HB2 SER 46 HB2 SER 46 -12.667 -13.282 -0.949 380 HB3 SER 46 HB3 SER 46 -11.275 -13.241 -2.050 381 HG SER 46 HG SER 46 -9.952 -13.753 -0.294 382 H GLY 47 H GLY 47 -10.324 -9.964 -2.399 383 HA2 GLY 47 HA2 GLY 47 -7.523 -10.180 -2.002 384 HA3 GLY 47 HA3 GLY 47 -8.392 -8.728 -2.543 385 H LYS 48 H LYS 48 -9.894 -7.896 -0.508 386 HA LYS 48 HA LYS 48 -8.052 -6.766 1.365 387 HB2 LYS 48 HB2 LYS 48 -11.099 -6.974 1.379 388 HB3 LYS 48 HB3 LYS 48 -10.183 -6.008 2.530 389 HG2 LYS 48 HG2 LYS 48 -9.501 -4.437 0.935 390 HG3 LYS 48 HG3 LYS 48 -9.796 -5.512 -0.424 391 HD2 LYS 48 HD2 LYS 48 -11.533 -3.856 -0.418 392 HD3 LYS 48 HD3 LYS 48 -12.240 -5.422 0.007 393 HE2 LYS 48 HE2 LYS 48 -12.073 -4.728 2.450 394 HE3 LYS 48 HE3 LYS 48 -11.560 -3.123 1.899 395 HZ1 LYS 48 HZ1 LYS 48 -13.691 -2.999 0.685 396 HZ2 LYS 48 HZ2 LYS 48 -13.910 -3.172 2.324 397 HZ3 LYS 48 HZ3 LYS 48 -14.138 -4.440 1.322 398 H LYS 49 H LYS 49 -9.956 -9.811 1.519 399 HA LYS 49 HA LYS 49 -9.646 -10.110 4.374 400 HB2 LYS 49 HB2 LYS 49 -10.082 -12.096 2.098 401 HB3 LYS 49 HB3 LYS 49 -9.796 -12.575 3.746 402 HG2 LYS 49 HG2 LYS 49 -11.805 -11.304 4.489 403 HG3 LYS 49 HG3 LYS 49 -12.140 -10.902 2.783 404 HD2 LYS 49 HD2 LYS 49 -12.283 -13.291 2.220 405 HD3 LYS 49 HD3 LYS 49 -11.826 -13.742 3.876 406 HE2 LYS 49 HE2 LYS 49 -13.891 -12.657 4.729 407 HE3 LYS 49 HE3 LYS 49 -14.347 -12.245 3.068 408 HZ1 LYS 49 HZ1 LYS 49 -14.363 -14.604 2.554 409 HZ2 LYS 49 HZ2 LYS 49 -15.427 -14.269 3.723 410 HZ3 LYS 49 HZ3 LYS 49 -13.983 -15.015 4.077 411 H SER 50 H SER 50 -7.867 -11.276 1.479 412 HA SER 50 HA SER 50 -5.881 -12.698 2.772 413 HB2 SER 50 HB2 SER 50 -6.547 -12.480 0.256 414 HB3 SER 50 HB3 SER 50 -5.412 -11.124 0.220 415 HG SER 50 HG SER 50 -4.994 -13.783 0.196 416 H ILE 51 H ILE 51 -5.846 -9.201 1.868 417 HA ILE 51 HA ILE 51 -3.275 -8.532 2.563 418 HB ILE 51 HB ILE 51 -5.793 -6.888 3.091 419 HG12 ILE 51 HG12 ILE 51 -3.919 -6.900 0.669 420 HG13 ILE 51 HG13 ILE 51 -5.527 -7.572 0.702 421 HG21 ILE 51 HG21 ILE 51 -3.770 -5.966 4.268 422 HG22 ILE 51 HG22 ILE 51 -2.936 -5.959 2.693 423 HG23 ILE 51 HG23 ILE 51 -4.340 -4.915 2.986 424 HD11 ILE 51 HD11 ILE 51 -4.759 -4.657 0.804 425 HD12 ILE 51 HD12 ILE 51 -5.829 -5.499 -0.316 426 HD13 ILE 51 HD13 ILE 51 -6.365 -5.209 1.343 427 H VAL 52 H VAL 52 -5.992 -8.973 4.843 428 HA VAL 52 HA VAL 52 -4.673 -7.916 7.157 429 HB VAL 52 HB VAL 52 -7.057 -9.774 6.763 430 HG11 VAL 52 HG11 VAL 52 -6.073 -8.526 9.336 431 HG12 VAL 52 HG12 VAL 52 -7.737 -9.083 9.090 432 HG13 VAL 52 HG13 VAL 52 -6.404 -10.232 9.002 433 HG21 VAL 52 HG21 VAL 52 -8.361 -7.750 7.211 434 HG22 VAL 52 HG22 VAL 52 -6.859 -6.818 7.414 435 HG23 VAL 52 HG23 VAL 52 -7.290 -7.493 5.835 436 H LYS 53 H LYS 53 -4.289 -10.979 5.506 437 HA LYS 53 HA LYS 53 -3.253 -12.264 7.964 438 HB2 LYS 53 HB2 LYS 53 -4.284 -13.329 5.302 439 HB3 LYS 53 HB3 LYS 53 -3.321 -14.321 6.391 440 HG2 LYS 53 HG2 LYS 53 -5.439 -14.896 7.006 441 HG3 LYS 53 HG3 LYS 53 -4.957 -13.746 8.243 442 HD2 LYS 53 HD2 LYS 53 -6.319 -12.001 6.804 443 HD3 LYS 53 HD3 LYS 53 -6.971 -13.436 5.997 444 HE2 LYS 53 HE2 LYS 53 -7.407 -14.307 8.405 445 HE3 LYS 53 HE3 LYS 53 -7.115 -12.663 8.950 446 HZ1 LYS 53 HZ1 LYS 53 -9.423 -13.117 8.656 447 HZ2 LYS 53 HZ2 LYS 53 -9.233 -13.554 7.091 448 HZ3 LYS 53 HZ3 LYS 53 -9.022 -11.968 7.573 449 H GLU 54 H GLU 54 -1.919 -10.202 5.919 450 HA GLU 54 HA GLU 54 0.492 -11.833 5.295 451 HB2 GLU 54 HB2 GLU 54 -1.273 -10.251 3.756 452 HB3 GLU 54 HB3 GLU 54 0.166 -9.291 3.901 453 HG2 GLU 54 HG2 GLU 54 0.126 -12.205 2.992 454 HG3 GLU 54 HG3 GLU 54 -0.071 -10.828 1.899 455 H ASN 55 H ASN 55 -0.488 -9.504 7.511 456 HA ASN 55 HA ASN 55 0.473 -7.846 8.718 457 HB2 ASN 55 HB2 ASN 55 1.715 -9.648 9.722 458 HB3 ASN 55 HB3 ASN 55 2.944 -9.557 8.453 459 HD21 ASN 55 HD21 ASN 55 4.695 -9.047 9.825 460 HD22 ASN 55 HD22 ASN 55 4.915 -7.450 10.461 461 H VAL 56 H VAL 56 -0.006 -6.791 6.406 462 HA VAL 56 HA VAL 56 2.216 -5.476 5.172 463 HB VAL 56 HB VAL 56 -0.297 -3.916 5.664 464 HG11 VAL 56 HG11 VAL 56 0.076 -3.191 3.373 465 HG12 VAL 56 HG12 VAL 56 1.558 -3.013 4.313 466 HG13 VAL 56 HG13 VAL 56 1.394 -4.365 3.191 467 HG21 VAL 56 HG21 VAL 56 -1.572 -5.719 5.079 468 HG22 VAL 56 HG22 VAL 56 -1.098 -5.144 3.450 469 HG23 VAL 56 HG23 VAL 56 -0.274 -6.511 4.174 470 H ASN 57 H ASN 57 3.354 -3.625 5.737 471 HA ASN 57 HA ASN 57 3.149 -2.620 8.498 472 HB2 ASN 57 HB2 ASN 57 5.342 -2.967 7.212 473 HB3 ASN 57 HB3 ASN 57 4.873 -1.572 6.224 474 HD21 ASN 57 HD21 ASN 57 6.610 -2.476 9.089 475 HD22 ASN 57 HD22 ASN 57 6.653 -0.851 9.694 476 H ALA 58 H ALA 58 2.607 -1.475 5.108 477 HA ALA 58 HA ALA 58 0.773 0.622 6.130 478 HB1 ALA 58 HB1 ALA 58 3.045 1.542 6.270 479 HB2 ALA 58 HB2 ALA 58 3.331 1.128 4.562 480 HB3 ALA 58 HB3 ALA 58 2.118 2.347 4.996 481 H ILE 59 H ILE 59 -0.376 1.781 4.442 482 HA ILE 59 HA ILE 59 -0.717 0.340 1.838 483 HB ILE 59 HB ILE 59 -2.568 1.984 3.620 484 HG12 ILE 59 HG12 ILE 59 -2.861 -0.781 2.386 485 HG13 ILE 59 HG13 ILE 59 -2.167 -0.499 3.963 486 HG21 ILE 59 HG21 ILE 59 -4.352 1.797 1.919 487 HG22 ILE 59 HG22 ILE 59 -3.026 2.724 1.273 488 HG23 ILE 59 HG23 ILE 59 -3.203 1.014 0.816 489 HD11 ILE 59 HD11 ILE 59 -4.289 0.482 4.774 490 HD12 ILE 59 HD12 ILE 59 -5.045 0.152 3.191 491 HD13 ILE 59 HD13 ILE 59 -4.482 -1.177 4.189 492 H ILE 60 H ILE 60 -0.464 1.502 -0.090 493 HA ILE 60 HA ILE 60 -0.396 4.472 -0.034 494 HB ILE 60 HB ILE 60 1.238 2.609 -1.834 495 HG12 ILE 60 HG12 ILE 60 2.108 4.399 0.459 496 HG13 ILE 60 HG13 ILE 60 2.166 2.642 0.415 497 HG21 ILE 60 HG21 ILE 60 2.196 4.695 -2.742 498 HG22 ILE 60 HG22 ILE 60 0.456 4.676 -2.960 499 HG23 ILE 60 HG23 ILE 60 1.173 5.654 -1.652 500 HD11 ILE 60 HD11 ILE 60 3.888 4.491 -1.258 501 HD12 ILE 60 HD12 ILE 60 4.377 3.423 0.065 502 HD13 ILE 60 HD13 ILE 60 3.785 2.726 -1.457 503 H CYS 61 H CYS 61 -2.078 5.253 -1.349 504 HA CYS 61 HA CYS 61 -2.925 3.600 -3.638 505 HB2 CYS 61 HB2 CYS 61 -5.062 4.306 -1.586 506 HB3 CYS 61 HB3 CYS 61 -5.260 3.445 -3.038 507 HG CYS 61 HG CYS 61 -3.277 2.509 -0.642 508 H LYS 62 H LYS 62 -3.020 6.521 -2.173 509 HA LYS 62 HA LYS 62 -3.138 8.717 -2.807 510 HB2 LYS 62 HB2 LYS 62 -4.351 7.667 -5.335 511 HB3 LYS 62 HB3 LYS 62 -4.466 9.359 -4.894 512 HG2 LYS 62 HG2 LYS 62 -2.131 9.677 -5.125 513 HG3 LYS 62 HG3 LYS 62 -1.810 8.018 -4.696 514 HD2 LYS 62 HD2 LYS 62 -1.173 8.168 -6.916 515 HD3 LYS 62 HD3 LYS 62 -2.647 7.218 -6.872 516 HE2 LYS 62 HE2 LYS 62 -2.385 8.781 -8.783 517 HE3 LYS 62 HE3 LYS 62 -3.923 8.885 -7.905 518 HZ1 LYS 62 HZ1 LYS 62 -2.958 11.093 -8.378 519 HZ2 LYS 62 HZ2 LYS 62 -1.665 10.753 -7.422 520 HZ3 LYS 62 HZ3 LYS 62 -3.142 10.848 -6.764 521 H ASN 63 H ASN 63 -5.988 6.533 -2.825 522 HA ASN 63 HA ASN 63 -7.114 8.420 -0.826 523 HB2 ASN 63 HB2 ASN 63 -8.343 7.966 -3.538 524 HB3 ASN 63 HB3 ASN 63 -9.410 8.070 -2.174 525 HD21 ASN 63 HD21 ASN 63 -7.567 9.873 -4.428 526 HD22 ASN 63 HD22 ASN 63 -7.470 11.371 -3.482 527 H ILE 64 H ILE 64 -9.262 7.566 0.093 528 HA ILE 64 HA ILE 64 -9.539 4.718 0.228 529 HB ILE 64 HB ILE 64 -7.405 4.946 1.375 530 HG12 ILE 64 HG12 ILE 64 -9.560 4.383 3.429 531 HG13 ILE 64 HG13 ILE 64 -9.061 3.281 2.143 532 HG21 ILE 64 HG21 ILE 64 -6.976 6.280 3.315 533 HG22 ILE 64 HG22 ILE 64 -7.667 7.358 2.118 534 HG23 ILE 64 HG23 ILE 64 -8.679 6.754 3.437 535 HD11 ILE 64 HD11 ILE 64 -7.261 4.240 4.373 536 HD12 ILE 64 HD12 ILE 64 -7.976 2.640 4.188 537 HD13 ILE 64 HD13 ILE 64 -6.776 3.198 3.011 538 H SER 65 H SER 65 -11.697 4.524 0.525 539 HA SER 65 HA SER 65 -13.409 6.561 1.555 540 HB2 SER 65 HB2 SER 65 -13.876 4.280 0.215 541 HB3 SER 65 HB3 SER 65 -14.188 3.662 1.870 542 HG SER 65 HG SER 65 -16.025 4.521 0.797 543 H GLU 66 H GLU 66 -14.384 6.762 3.561 544 HA GLU 66 HA GLU 66 -12.866 6.627 5.869 545 HB2 GLU 66 HB2 GLU 66 -14.785 8.105 5.519 546 HB3 GLU 66 HB3 GLU 66 -15.889 6.725 5.538 547 HG2 GLU 66 HG2 GLU 66 -15.345 6.268 7.893 548 HG3 GLU 66 HG3 GLU 66 -14.191 7.604 7.900 549 H GLU 67 H GLU 67 -15.498 4.356 4.902 550 HA GLU 67 HA GLU 67 -15.516 2.853 7.232 551 HB2 GLU 67 HB2 GLU 67 -17.023 2.766 5.059 552 HB3 GLU 67 HB3 GLU 67 -15.916 1.520 4.521 553 HG2 GLU 67 HG2 GLU 67 -16.263 0.209 6.557 554 HG3 GLU 67 HG3 GLU 67 -17.315 1.451 7.243 555 H ASN 68 H ASN 68 -13.539 2.490 4.421 556 HA ASN 68 HA ASN 68 -12.128 0.041 5.264 557 HB2 ASN 68 HB2 ASN 68 -11.845 2.004 3.001 558 HB3 ASN 68 HB3 ASN 68 -10.523 0.901 3.360 559 HD21 ASN 68 HD21 ASN 68 -12.179 1.056 0.916 560 HD22 ASN 68 HD22 ASN 68 -12.857 -0.509 0.670 561 H TYR 69 H TYR 69 -11.476 3.597 5.283 562 HA TYR 69 HA TYR 69 -8.793 3.521 6.106 563 HB2 TYR 69 HB2 TYR 69 -9.949 5.595 5.417 564 HB3 TYR 69 HB3 TYR 69 -10.910 5.563 6.886 565 HD1 TYR 69 HD1 TYR 69 -9.923 6.134 9.085 566 HD2 TYR 69 HD2 TYR 69 -7.547 6.174 5.497 567 HE1 TYR 69 HE1 TYR 69 -8.104 7.250 10.310 568 HE2 TYR 69 HE2 TYR 69 -5.721 7.317 6.697 569 HH TYR 69 HH TYR 69 -5.105 8.421 8.708 570 H LYS 70 H LYS 70 -11.654 3.832 8.272 571 HA LYS 70 HA LYS 70 -10.057 3.584 10.627 572 HB2 LYS 70 HB2 LYS 70 -13.022 2.943 10.338 573 HB3 LYS 70 HB3 LYS 70 -12.149 3.313 11.830 574 HG2 LYS 70 HG2 LYS 70 -11.620 5.619 10.830 575 HG3 LYS 70 HG3 LYS 70 -12.760 5.221 9.524 576 HD2 LYS 70 HD2 LYS 70 -14.447 4.664 11.329 577 HD3 LYS 70 HD3 LYS 70 -13.316 5.379 12.503 578 HE2 LYS 70 HE2 LYS 70 -13.502 7.544 11.148 579 HE3 LYS 70 HE3 LYS 70 -14.801 6.750 10.240 580 HZ1 LYS 70 HZ1 LYS 70 -15.899 7.851 11.931 581 HZ2 LYS 70 HZ2 LYS 70 -14.795 7.497 13.090 582 HZ3 LYS 70 HZ3 LYS 70 -15.815 6.329 12.520 583 H LYS 71 H LYS 71 -11.338 1.078 8.527 584 HA LYS 71 HA LYS 71 -11.087 -1.086 10.449 585 HB2 LYS 71 HB2 LYS 71 -12.582 -1.049 8.452 586 HB3 LYS 71 HB3 LYS 71 -11.142 -1.054 7.419 587 HG2 LYS 71 HG2 LYS 71 -10.703 -3.274 7.776 588 HG3 LYS 71 HG3 LYS 71 -11.290 -3.268 9.442 589 HD2 LYS 71 HD2 LYS 71 -13.211 -2.981 7.118 590 HD3 LYS 71 HD3 LYS 71 -12.636 -4.577 7.663 591 HE2 LYS 71 HE2 LYS 71 -13.400 -3.975 9.994 592 HE3 LYS 71 HE3 LYS 71 -14.126 -2.503 9.333 593 HZ1 LYS 71 HZ1 LYS 71 -14.865 -5.296 8.731 594 HZ2 LYS 71 HZ2 LYS 71 -15.450 -4.019 7.881 595 HZ3 LYS 71 HZ3 LYS 71 -15.797 -4.146 9.474 596 H PHE 72 H PHE 72 -8.983 0.376 7.907 597 HA PHE 72 HA PHE 72 -6.953 -1.720 8.395 598 HB2 PHE 72 HB2 PHE 72 -7.295 0.443 6.340 599 HB3 PHE 72 HB3 PHE 72 -5.710 -0.264 6.643 600 HD1 PHE 72 HD2 PHE 72 -9.223 -1.149 5.593 601 HD2 PHE 72 HD1 PHE 72 -5.141 -2.481 5.951 602 HE1 PHE 72 HE2 PHE 72 -9.764 -3.194 4.332 603 HE2 PHE 72 HE1 PHE 72 -5.716 -4.563 4.773 604 HZ PHE 72 HZ PHE 72 -8.030 -4.929 3.929 605 H SER 73 H SER 73 -7.512 1.645 9.314 606 HA SER 73 HA SER 73 -4.842 2.159 10.134 607 HB2 SER 73 HB2 SER 73 -5.693 4.076 11.267 608 HB3 SER 73 HB3 SER 73 -6.542 3.882 9.724 609 HG SER 73 HG SER 73 -7.487 3.966 12.236 610 H LYS 74 H LYS 74 -7.112 0.056 11.571 611 HA LYS 74 HA LYS 74 -6.427 -0.033 14.254 612 HB2 LYS 74 HB2 LYS 74 -7.219 -2.264 14.291 613 HB3 LYS 74 HB3 LYS 74 -8.152 -1.404 13.081 614 HG2 LYS 74 HG2 LYS 74 -7.805 -3.227 11.841 615 HG3 LYS 74 HG3 LYS 74 -6.272 -2.475 11.454 616 HD2 LYS 74 HD2 LYS 74 -5.337 -4.405 12.121 617 HD3 LYS 74 HD3 LYS 74 -5.697 -3.960 13.792 618 HE2 LYS 74 HE2 LYS 74 -7.826 -5.182 13.714 619 HE3 LYS 74 HE3 LYS 74 -7.692 -5.368 11.964 620 HZ1 LYS 74 HZ1 LYS 74 -7.083 -7.404 12.815 621 HZ2 LYS 74 HZ2 LYS 74 -6.128 -6.793 14.003 622 HZ3 LYS 74 HZ3 LYS 74 -5.661 -6.726 12.412 623 H LYS 75 H LYS 75 -4.334 -0.957 11.583 624 HA LYS 75 HA LYS 75 -2.180 -0.940 13.490 625 HB2 LYS 75 HB2 LYS 75 -3.240 -3.496 13.017 626 HB3 LYS 75 HB3 LYS 75 -1.855 -3.448 11.946 627 HG2 LYS 75 HG2 LYS 75 -1.872 -2.946 14.961 628 HG3 LYS 75 HG3 LYS 75 -1.298 -4.381 14.118 629 HD2 LYS 75 HD2 LYS 75 0.414 -2.835 12.958 630 HD3 LYS 75 HD3 LYS 75 -0.042 -1.615 14.153 631 HE2 LYS 75 HE2 LYS 75 1.932 -2.739 14.899 632 HE3 LYS 75 HE3 LYS 75 0.609 -3.245 15.953 633 HZ1 LYS 75 HZ1 LYS 75 0.532 -5.335 14.811 634 HZ2 LYS 75 HZ2 LYS 75 2.117 -5.012 15.142 635 HZ3 LYS 75 HZ3 LYS 75 1.524 -4.818 13.609 636 H ILE 76 H ILE 76 -3.293 -0.149 10.389 637 HA ILE 76 HA ILE 76 -0.599 -0.490 9.161 638 HB ILE 76 HB ILE 76 -3.352 -0.844 7.908 639 HG12 ILE 76 HG12 ILE 76 -1.191 -2.965 8.271 640 HG13 ILE 76 HG13 ILE 76 -2.502 -2.775 9.434 641 HG21 ILE 76 HG21 ILE 76 -1.651 0.140 6.372 642 HG22 ILE 76 HG22 ILE 76 -0.583 -1.243 6.705 643 HG23 ILE 76 HG23 ILE 76 -2.135 -1.480 5.891 644 HD11 ILE 76 HD11 ILE 76 -4.175 -3.164 7.738 645 HD12 ILE 76 HD12 ILE 76 -2.909 -3.386 6.501 646 HD13 ILE 76 HD13 ILE 76 -3.062 -4.531 7.848 647 H GLU 77 H GLU 77 0.248 1.292 8.647 648 HA GLU 77 HA GLU 77 -1.055 3.847 8.991 649 HB2 GLU 77 HB2 GLU 77 1.685 2.893 8.052 650 HB3 GLU 77 HB3 GLU 77 1.278 4.597 8.318 651 HG2 GLU 77 HG2 GLU 77 1.216 4.399 10.601 652 HG3 GLU 77 HG3 GLU 77 0.633 2.758 10.605 653 H ILE 78 H ILE 78 -2.345 4.715 7.366 654 HA ILE 78 HA ILE 78 -1.829 3.859 4.582 655 HB ILE 78 HB ILE 78 -4.102 5.495 5.766 656 HG12 ILE 78 HG12 ILE 78 -4.963 2.950 4.749 657 HG13 ILE 78 HG13 ILE 78 -3.605 2.594 5.773 658 HG21 ILE 78 HG21 ILE 78 -3.696 4.256 3.012 659 HG22 ILE 78 HG22 ILE 78 -5.183 5.030 3.585 660 HG23 ILE 78 HG23 ILE 78 -3.712 5.985 3.406 661 HD11 ILE 78 HD11 ILE 78 -4.709 3.674 7.674 662 HD12 ILE 78 HD12 ILE 78 -6.051 4.192 6.624 663 HD13 ILE 78 HD13 ILE 78 -5.778 2.473 6.944 664 H TYR 79 H TYR 79 -0.950 5.167 3.066 665 HA TYR 79 HA TYR 79 -0.022 7.888 3.860 666 HB2 TYR 79 HB2 TYR 79 1.247 5.637 2.269 667 HB3 TYR 79 HB3 TYR 79 1.785 7.292 2.140 668 HD1 TYR 79 HD2 TYR 79 1.392 4.500 4.657 669 HD2 TYR 79 HD1 TYR 79 3.247 8.266 3.679 670 HE1 TYR 79 HE2 TYR 79 3.058 4.158 6.462 671 HE2 TYR 79 HE1 TYR 79 4.950 7.895 5.445 672 HH TYR 79 HH TYR 79 5.137 4.858 7.283 673 H HIS 80 H HIS 80 0.164 9.351 2.060 674 HA HIS 80 HA HIS 80 -1.782 8.908 -0.135 675 HB2 HIS 80 HB2 HIS 80 -1.658 11.069 1.265 676 HB3 HIS 80 HB3 HIS 80 -0.107 11.379 0.466 677 HD1 HIS 80 HD1 HIS 80 -0.355 12.634 -1.930 678 HD2 HIS 80 HD2 HIS 80 -3.809 10.653 -0.521 679 HE1 HIS 80 HE1 HIS 80 -2.173 13.069 -3.607 680 H ALA 81 H ALA 81 -0.975 8.702 -2.313 681 HA ALA 81 HA ALA 81 1.915 8.135 -2.492 682 HB1 ALA 81 HB1 ALA 81 1.504 6.818 -4.248 683 HB2 ALA 81 HB2 ALA 81 -0.165 6.806 -3.667 684 HB3 ALA 81 HB3 ALA 81 0.348 7.910 -4.977 685 H GLU 82 H GLU 82 3.225 9.216 -3.964 686 HA GLU 82 HA GLU 82 2.409 11.906 -4.935 687 HB2 GLU 82 HB2 GLU 82 4.965 10.731 -3.801 688 HB3 GLU 82 HB3 GLU 82 5.040 12.141 -4.853 689 HG2 GLU 82 HG2 GLU 82 3.238 12.134 -2.407 690 HG3 GLU 82 HG3 GLU 82 4.953 12.540 -2.311 691 H GLY 83 H GLY 83 1.419 10.472 -6.705 692 HA2 GLY 83 HA2 GLY 83 2.012 11.071 -9.041 693 HA3 GLY 83 HA3 GLY 83 3.445 10.053 -8.852 694 H ASP 84 H ASP 84 2.177 9.375 -10.870 695 HA ASP 84 HA ASP 84 0.526 6.964 -10.456 696 HB2 ASP 84 HB2 ASP 84 0.540 6.832 -12.712 697 HB3 ASP 84 HB3 ASP 84 1.130 8.497 -12.680 698 H ASP 85 H ASP 85 3.819 8.073 -10.476 699 HA ASP 85 HA ASP 85 4.956 5.718 -11.358 700 HB2 ASP 85 HB2 ASP 85 5.898 8.122 -11.376 701 HB3 ASP 85 HB3 ASP 85 6.392 7.848 -9.790 702 H VAL 86 H VAL 86 4.580 3.948 -10.202 703 HA VAL 86 HA VAL 86 4.624 3.555 -7.469 704 HB VAL 86 HB VAL 86 5.398 1.731 -9.771 705 HG11 VAL 86 HG11 VAL 86 6.549 0.684 -8.011 706 HG12 VAL 86 HG12 VAL 86 5.343 1.112 -6.791 707 HG13 VAL 86 HG13 VAL 86 4.972 -0.133 -8.015 708 HG21 VAL 86 HG21 VAL 86 3.233 0.739 -9.327 709 HG22 VAL 86 HG22 VAL 86 2.938 1.877 -7.995 710 HG23 VAL 86 HG23 VAL 86 3.054 2.462 -9.671 711 H ASP 87 H ASP 87 7.404 3.718 -9.787 712 HA ASP 87 HA ASP 87 9.335 2.756 -7.904 713 HB2 ASP 87 HB2 ASP 87 9.347 3.696 -10.687 714 HB3 ASP 87 HB3 ASP 87 10.675 4.407 -9.771 715 H LYS 88 H LYS 88 8.289 6.044 -8.904 716 HA LYS 88 HA LYS 88 10.108 7.480 -7.217 717 HB2 LYS 88 HB2 LYS 88 8.590 8.428 -9.083 718 HB3 LYS 88 HB3 LYS 88 7.249 8.221 -7.993 719 HG2 LYS 88 HG2 LYS 88 8.292 10.549 -8.238 720 HG3 LYS 88 HG3 LYS 88 7.775 9.998 -6.652 721 HD2 LYS 88 HD2 LYS 88 9.911 9.839 -5.824 722 HD3 LYS 88 HD3 LYS 88 10.662 9.599 -7.410 723 HE2 LYS 88 HE2 LYS 88 9.288 12.223 -6.884 724 HE3 LYS 88 HE3 LYS 88 10.800 11.915 -6.038 725 HZ1 LYS 88 HZ1 LYS 88 11.259 13.026 -8.059 726 HZ2 LYS 88 HZ2 LYS 88 10.454 11.945 -8.968 727 HZ3 LYS 88 HZ3 LYS 88 11.848 11.486 -8.204 728 H ASN 89 H ASN 89 7.003 5.926 -6.544 729 HA ASN 89 HA ASN 89 6.729 7.167 -3.916 730 HB2 ASN 89 HB2 ASN 89 5.249 5.043 -5.489 731 HB3 ASN 89 HB3 ASN 89 4.900 5.301 -3.780 732 HD21 ASN 89 HD21 ASN 89 4.910 6.976 -6.931 733 HD22 ASN 89 HD22 ASN 89 4.148 8.434 -6.351 734 H ILE 90 H ILE 90 8.251 4.274 -5.133 735 HA ILE 90 HA ILE 90 8.197 2.809 -2.637 736 HB ILE 90 HB ILE 90 9.770 2.564 -5.221 737 HG12 ILE 90 HG12 ILE 90 7.793 0.629 -3.886 738 HG13 ILE 90 HG13 ILE 90 7.357 1.796 -5.084 739 HG21 ILE 90 HG21 ILE 90 10.816 0.475 -4.376 740 HG22 ILE 90 HG22 ILE 90 11.320 1.852 -3.440 741 HG23 ILE 90 HG23 ILE 90 10.085 0.758 -2.775 742 HD11 ILE 90 HD11 ILE 90 8.895 0.727 -6.722 743 HD12 ILE 90 HD12 ILE 90 9.234 -0.547 -5.521 744 HD13 ILE 90 HD13 ILE 90 7.598 -0.339 -6.137 745 H SER 91 H SER 91 10.675 4.962 -4.230 746 HA SER 91 HA SER 91 12.477 4.751 -2.037 747 HB2 SER 91 HB2 SER 91 13.619 6.626 -2.982 748 HB3 SER 91 HB3 SER 91 13.030 5.599 -4.306 749 HG SER 91 HG SER 91 12.128 8.098 -3.382 750 H LEU 92 H LEU 92 9.908 7.131 -2.716 751 HA LEU 92 HA LEU 92 10.436 8.830 -0.513 752 HB2 LEU 92 HB2 LEU 92 7.885 8.274 -2.080 753 HB3 LEU 92 HB3 LEU 92 7.992 9.532 -0.851 754 HG LEU 92 HG LEU 92 9.830 9.519 -3.254 755 HD11 LEU 92 HD11 LEU 92 8.304 11.187 -4.239 756 HD12 LEU 92 HD12 LEU 92 7.183 10.993 -2.874 757 HD13 LEU 92 HD13 LEU 92 7.465 9.651 -3.999 758 HD21 LEU 92 HD21 LEU 92 10.471 10.892 -1.191 759 HD22 LEU 92 HD22 LEU 92 8.956 11.791 -1.405 760 HD23 LEU 92 HD23 LEU 92 10.216 11.832 -2.650 761 H PHE 93 H PHE 93 8.613 5.823 -0.674 762 HA PHE 93 HA PHE 93 7.463 6.022 1.984 763 HB2 PHE 93 HB2 PHE 93 6.465 4.553 0.304 764 HB3 PHE 93 HB3 PHE 93 7.986 3.736 0.058 765 HD1 PHE 93 HD1 PHE 93 5.741 4.536 2.998 766 HD2 PHE 93 HD2 PHE 93 8.392 1.716 1.086 767 HE1 PHE 93 HE1 PHE 93 5.231 2.857 4.764 768 HE2 PHE 93 HE2 PHE 93 7.891 0.061 2.830 769 HZ PHE 93 HZ PHE 93 6.218 0.553 4.589 770 H ILE 94 H ILE 94 10.379 4.415 0.608 771 HA ILE 94 HA ILE 94 11.178 3.041 2.991 772 HB ILE 94 HB ILE 94 12.592 3.907 0.439 773 HG12 ILE 94 HG12 ILE 94 11.890 1.079 1.347 774 HG13 ILE 94 HG13 ILE 94 10.702 2.073 0.519 775 HG21 ILE 94 HG21 ILE 94 14.413 2.310 1.069 776 HG22 ILE 94 HG22 ILE 94 14.325 3.706 2.122 777 HG23 ILE 94 HG23 ILE 94 13.675 2.146 2.672 778 HD11 ILE 94 HD11 ILE 94 12.226 2.353 -1.408 779 HD12 ILE 94 HD12 ILE 94 13.406 1.305 -0.637 780 HD13 ILE 94 HD13 ILE 94 11.830 0.646 -1.088 781 H GLU 95 H GLU 95 11.981 6.351 1.755 782 HA GLU 95 HA GLU 95 13.612 6.900 4.105 783 HB2 GLU 95 HB2 GLU 95 12.484 8.645 1.886 784 HB3 GLU 95 HB3 GLU 95 13.391 9.285 3.252 785 HG2 GLU 95 HG2 GLU 95 15.135 7.359 2.583 786 HG3 GLU 95 HG3 GLU 95 14.347 7.494 1.017 787 H GLY 96 H GLY 96 10.143 7.302 3.321 788 HA2 GLY 96 HA2 GLY 96 8.499 7.451 5.013 789 HA3 GLY 96 HA3 GLY 96 9.667 8.156 6.128 790 H GLU 97 H GLU 97 9.774 9.469 2.947 791 HA GLU 97 HA GLU 97 9.046 12.109 3.730 792 HB2 GLU 97 HB2 GLU 97 10.269 10.654 1.513 793 HB3 GLU 97 HB3 GLU 97 9.089 11.787 0.878 794 HG2 GLU 97 HG2 GLU 97 11.269 12.588 2.849 795 HG3 GLU 97 HG3 GLU 97 11.501 12.518 1.109 796 H LEU 98 H LEU 98 7.248 9.454 2.139 797 HA LEU 98 HA LEU 98 5.085 11.065 1.093 798 HB2 LEU 98 HB2 LEU 98 5.014 8.202 2.152 799 HB3 LEU 98 HB3 LEU 98 3.683 8.983 1.301 800 HG LEU 98 HG LEU 98 6.393 8.303 0.131 801 HD11 LEU 98 HD11 LEU 98 3.631 7.156 -0.423 802 HD12 LEU 98 HD12 LEU 98 4.900 6.374 0.546 803 HD13 LEU 98 HD13 LEU 98 5.158 6.659 -1.183 804 HD21 LEU 98 HD21 LEU 98 5.552 10.334 -0.976 805 HD22 LEU 98 HD22 LEU 98 3.954 9.584 -1.190 806 HD23 LEU 98 HD23 LEU 98 5.365 8.951 -2.060 807 H SER 99 H SER 99 3.072 11.786 2.023 808 HA SER 99 HA SER 99 3.268 11.932 4.960 809 HB2 SER 99 HB2 SER 99 2.911 13.979 3.656 810 HB3 SER 99 HB3 SER 99 1.328 13.343 3.138 811 HG SER 99 HG SER 99 1.584 14.776 5.108 812 H LYS 100 H LYS 100 1.713 11.433 6.260 813 HA LYS 100 HA LYS 100 0.305 8.914 5.634 814 HB2 LYS 100 HB2 LYS 100 1.076 10.393 8.156 815 HB3 LYS 100 HB3 LYS 100 0.027 8.968 8.182 816 HG2 LYS 100 HG2 LYS 100 1.760 7.613 7.061 817 HG3 LYS 100 HG3 LYS 100 2.756 9.044 6.803 818 HD2 LYS 100 HD2 LYS 100 3.821 7.899 8.492 819 HD3 LYS 100 HD3 LYS 100 3.041 9.246 9.305 820 HE2 LYS 100 HE2 LYS 100 1.882 6.432 9.137 821 HE3 LYS 100 HE3 LYS 100 2.935 6.992 10.456 822 HZ1 LYS 100 HZ1 LYS 100 0.890 7.397 11.309 823 HZ2 LYS 100 HZ2 LYS 100 0.187 7.723 9.852 824 HZ3 LYS 100 HZ3 LYS 100 1.155 8.844 10.619 825 H ILE 101 H ILE 101 -1.884 8.682 5.614 826 HA ILE 101 HA ILE 101 -3.392 11.151 5.130 827 HB ILE 101 HB ILE 101 -4.122 8.205 4.954 828 HG12 ILE 101 HG12 ILE 101 -3.681 10.487 2.968 829 HG13 ILE 101 HG13 ILE 101 -2.698 9.042 3.182 830 HG21 ILE 101 HG21 ILE 101 -6.307 8.824 4.099 831 HG22 ILE 101 HG22 ILE 101 -6.146 9.481 5.705 832 HG23 ILE 101 HG23 ILE 101 -5.958 10.559 4.308 833 HD11 ILE 101 HD11 ILE 101 -5.472 9.220 1.947 834 HD12 ILE 101 HD12 ILE 101 -3.949 8.801 1.159 835 HD13 ILE 101 HD13 ILE 101 -4.671 7.681 2.332 836 H SER 102 H SER 102 -4.982 11.998 6.614 837 HA SER 102 HA SER 102 -5.455 10.514 9.165 838 HB2 SER 102 HB2 SER 102 -3.968 12.345 9.741 839 HB3 SER 102 HB3 SER 102 -5.012 13.506 8.893 840 HG SER 102 HG SER 102 -5.241 12.831 11.401 841 H ASN 103 H ASN 103 -6.599 13.233 7.109 842 HA ASN 103 HA ASN 103 -9.398 12.333 7.445 843 HB2 ASN 103 HB2 ASN 103 -9.937 14.728 6.973 844 HB3 ASN 103 HB3 ASN 103 -9.316 14.315 8.573 845 HD21 ASN 103 HD21 ASN 103 -9.296 16.817 8.338 846 HD22 ASN 103 HD22 ASN 103 -7.700 17.456 8.024 847 HA PRO 104 HA PRO 104 -8.717 12.026 2.928 848 HB2 PRO 104 HB2 PRO 104 -9.766 9.547 2.551 849 HB3 PRO 104 HB3 PRO 104 -8.083 9.778 3.092 850 HG2 PRO 104 HG2 PRO 104 -10.512 9.044 4.743 851 HG3 PRO 104 HG3 PRO 104 -8.843 8.436 4.897 852 HD2 PRO 104 HD2 PRO 104 -9.961 10.480 6.450 853 HD3 PRO 104 HD3 PRO 104 -8.217 10.192 6.217 Start of MODEL 8 1 H1 GLY -2 H GLY -2 20.353 1.217 13.633 2 HA2 GLY -2 HA2 GLY -2 18.185 0.478 12.937 3 HA3 GLY -2 HA3 GLY -2 18.246 2.243 12.766 4 H HIS -1 H HIS -1 17.330 -0.545 11.173 5 HA HIS -1 HA HIS -1 17.603 0.563 8.460 6 HB2 HIS -1 HB2 HIS -1 18.690 -2.066 9.549 7 HB3 HIS -1 HB3 HIS -1 18.141 -1.952 7.910 8 HD1 HIS -1 HD1 HIS -1 21.022 -2.747 8.101 9 HD2 HIS -1 HD2 HIS -1 19.747 1.280 7.998 10 HE1 HIS -1 HE1 HIS -1 23.016 -1.370 7.355 11 H MET 1 H MET 1 16.104 -0.612 6.997 12 HA MET 1 HA MET 1 13.763 -1.766 8.380 13 HB2 MET 1 HB2 MET 1 13.566 0.150 6.590 14 HB3 MET 1 HB3 MET 1 14.015 -1.098 5.422 15 HG2 MET 1 HG2 MET 1 11.589 -0.944 5.581 16 HG3 MET 1 HG3 MET 1 12.110 -2.502 6.202 17 HE1 MET 1 HE1 MET 1 10.952 -3.477 7.711 18 HE2 MET 1 HE2 MET 1 11.024 -3.011 9.416 19 HE3 MET 1 HE3 MET 1 9.531 -2.752 8.473 20 H ILE 2 H ILE 2 13.429 -3.939 8.308 21 HA ILE 2 HA ILE 2 14.316 -5.491 5.958 22 HB ILE 2 HB ILE 2 14.615 -6.439 8.845 23 HG12 ILE 2 HG12 ILE 2 16.799 -5.459 6.944 24 HG13 ILE 2 HG13 ILE 2 16.304 -4.702 8.462 25 HG21 ILE 2 HG21 ILE 2 15.528 -7.655 6.197 26 HG22 ILE 2 HG22 ILE 2 15.795 -8.355 7.814 27 HG23 ILE 2 HG23 ILE 2 14.169 -8.217 7.197 28 HD11 ILE 2 HD11 ILE 2 17.778 -7.325 8.153 29 HD12 ILE 2 HD12 ILE 2 18.316 -5.822 8.910 30 HD13 ILE 2 HD13 ILE 2 17.038 -6.783 9.680 31 H ASN 3 H ASN 3 12.807 -7.277 5.513 32 HA ASN 3 HA ASN 3 10.920 -8.389 5.440 33 HB2 ASN 3 HB2 ASN 3 11.285 -8.064 8.406 34 HB3 ASN 3 HB3 ASN 3 9.761 -8.704 7.867 35 HD21 ASN 3 HD21 ASN 3 9.700 -10.738 6.633 36 HD22 ASN 3 HD22 ASN 3 11.118 -11.783 6.659 37 H MET 4 H MET 4 10.626 -5.248 5.393 38 HA MET 4 HA MET 4 7.882 -4.842 6.297 39 HB2 MET 4 HB2 MET 4 9.574 -3.011 6.102 40 HB3 MET 4 HB3 MET 4 9.491 -3.120 4.367 41 HG2 MET 4 HG2 MET 4 7.518 -1.991 4.252 42 HG3 MET 4 HG3 MET 4 6.880 -2.786 5.685 43 HE1 MET 4 HE1 MET 4 9.599 -0.383 4.494 44 HE2 MET 4 HE2 MET 4 8.699 1.089 4.928 45 HE3 MET 4 HE3 MET 4 9.998 0.548 5.959 46 H LYS 5 H LYS 5 6.083 -4.478 4.960 47 HA LYS 5 HA LYS 5 6.155 -5.376 2.111 48 HB2 LYS 5 HB2 LYS 5 4.397 -6.424 4.355 49 HB3 LYS 5 HB3 LYS 5 3.820 -6.400 2.683 50 HG2 LYS 5 HG2 LYS 5 5.692 -7.803 2.025 51 HG3 LYS 5 HG3 LYS 5 6.344 -7.733 3.679 52 HD2 LYS 5 HD2 LYS 5 4.077 -8.735 4.438 53 HD3 LYS 5 HD3 LYS 5 3.809 -9.094 2.711 54 HE2 LYS 5 HE2 LYS 5 6.449 -9.817 3.191 55 HE3 LYS 5 HE3 LYS 5 5.666 -10.311 4.693 56 HZ1 LYS 5 HZ1 LYS 5 4.189 -11.717 3.405 57 HZ2 LYS 5 HZ2 LYS 5 5.728 -12.043 2.920 58 HZ3 LYS 5 HZ3 LYS 5 4.756 -11.119 1.996 59 H VAL 6 H VAL 6 4.607 -4.152 0.847 60 HA VAL 6 HA VAL 6 2.818 -2.266 2.248 61 HB VAL 6 HB VAL 6 4.893 -1.604 0.130 62 HG11 VAL 6 HG11 VAL 6 2.810 -0.635 -0.748 63 HG12 VAL 6 HG12 VAL 6 2.439 0.067 0.855 64 HG13 VAL 6 HG13 VAL 6 3.833 0.621 -0.096 65 HG21 VAL 6 HG21 VAL 6 5.319 0.273 1.580 66 HG22 VAL 6 HG22 VAL 6 4.149 -0.333 2.770 67 HG23 VAL 6 HG23 VAL 6 5.625 -1.275 2.392 68 H ALA 7 H ALA 7 0.860 -2.167 1.260 69 HA ALA 7 HA ALA 7 0.424 -3.680 -1.270 70 HB1 ALA 7 HB1 ALA 7 -1.210 -4.115 0.496 71 HB2 ALA 7 HB2 ALA 7 -1.485 -2.370 0.707 72 HB3 ALA 7 HB3 ALA 7 -1.975 -3.161 -0.797 73 H ILE 8 H ILE 8 0.618 -2.516 -3.116 74 HA ILE 8 HA ILE 8 0.003 0.405 -3.107 75 HB ILE 8 HB ILE 8 1.551 -1.321 -5.106 76 HG12 ILE 8 HG12 ILE 8 2.309 0.676 -2.956 77 HG13 ILE 8 HG13 ILE 8 2.866 -0.963 -3.147 78 HG21 ILE 8 HG21 ILE 8 1.935 0.718 -6.355 79 HG22 ILE 8 HG22 ILE 8 0.190 0.614 -6.117 80 HG23 ILE 8 HG23 ILE 8 1.163 1.699 -5.096 81 HD11 ILE 8 HD11 ILE 8 4.644 0.561 -3.704 82 HD12 ILE 8 HD12 ILE 8 4.125 -0.260 -5.203 83 HD13 ILE 8 HD13 ILE 8 3.639 1.425 -4.866 84 H SER 9 H SER 9 -2.140 0.751 -3.528 85 HA SER 9 HA SER 9 -3.893 -1.148 -4.769 86 HB2 SER 9 HB2 SER 9 -4.122 1.848 -4.345 87 HB3 SER 9 HB3 SER 9 -5.467 0.728 -4.541 88 HG SER 9 HG SER 9 -4.849 -0.249 -2.579 89 H MET 10 H MET 10 -3.160 -1.734 -6.831 90 HA MET 10 HA MET 10 -2.293 0.348 -8.752 91 HB2 MET 10 HB2 MET 10 -2.219 -2.684 -8.748 92 HB3 MET 10 HB3 MET 10 -1.708 -1.713 -10.143 93 HG2 MET 10 HG2 MET 10 -0.475 -1.564 -7.372 94 HG3 MET 10 HG3 MET 10 0.161 -2.486 -8.720 95 HE1 MET 10 HE1 MET 10 1.717 -1.644 -10.485 96 HE2 MET 10 HE2 MET 10 0.249 -0.981 -11.248 97 HE3 MET 10 HE3 MET 10 1.714 0.023 -11.099 98 H ASP 11 H ASP 11 -3.074 0.362 -10.839 99 HA ASP 11 HA ASP 11 -5.849 -0.591 -11.452 100 HB2 ASP 11 HB2 ASP 11 -5.172 1.811 -11.855 101 HB3 ASP 11 HB3 ASP 11 -3.911 1.292 -12.938 102 H VAL 12 H VAL 12 -2.989 -0.204 -13.519 103 HA VAL 12 HA VAL 12 -3.030 -3.102 -14.240 104 HB VAL 12 HB VAL 12 -3.491 -0.744 -16.114 105 HG11 VAL 12 HG11 VAL 12 -3.467 -2.419 -17.968 106 HG12 VAL 12 HG12 VAL 12 -1.875 -2.199 -17.226 107 HG13 VAL 12 HG13 VAL 12 -2.843 -3.632 -16.834 108 HG21 VAL 12 HG21 VAL 12 -5.503 -1.932 -16.789 109 HG22 VAL 12 HG22 VAL 12 -5.099 -3.321 -15.749 110 HG23 VAL 12 HG23 VAL 12 -5.557 -1.759 -15.042 111 H ASP 13 H ASP 13 -1.480 0.042 -15.209 112 HA ASP 13 HA ASP 13 1.091 -1.264 -14.510 113 HB2 ASP 13 HB2 ASP 13 0.419 0.650 -16.777 114 HB3 ASP 13 HB3 ASP 13 2.071 0.361 -16.281 115 H LYS 14 H LYS 14 -0.895 0.847 -13.100 116 HA LYS 14 HA LYS 14 1.257 2.451 -11.933 117 HB2 LYS 14 HB2 LYS 14 -0.066 4.572 -12.325 118 HB3 LYS 14 HB3 LYS 14 0.726 3.948 -13.735 119 HG2 LYS 14 HG2 LYS 14 -2.175 3.191 -13.216 120 HG3 LYS 14 HG3 LYS 14 -1.778 4.785 -13.795 121 HD2 LYS 14 HD2 LYS 14 -0.299 3.046 -15.489 122 HD3 LYS 14 HD3 LYS 14 -1.849 2.242 -15.274 123 HE2 LYS 14 HE2 LYS 14 -3.002 3.847 -16.426 124 HE3 LYS 14 HE3 LYS 14 -2.071 5.158 -15.715 125 HZ1 LYS 14 HZ1 LYS 14 -0.230 4.353 -17.267 126 HZ2 LYS 14 HZ2 LYS 14 -1.480 5.246 -17.851 127 HZ3 LYS 14 HZ3 LYS 14 -1.488 3.639 -18.118 128 H ILE 15 H ILE 15 0.319 3.866 -10.224 129 HA ILE 15 HA ILE 15 -1.350 2.586 -8.324 130 HB ILE 15 HB ILE 15 -0.405 5.440 -8.825 131 HG12 ILE 15 HG12 ILE 15 0.441 3.493 -6.645 132 HG13 ILE 15 HG13 ILE 15 1.214 3.544 -8.210 133 HG21 ILE 15 HG21 ILE 15 -2.327 5.850 -7.558 134 HG22 ILE 15 HG22 ILE 15 -2.131 4.410 -6.553 135 HG23 ILE 15 HG23 ILE 15 -1.063 5.811 -6.340 136 HD11 ILE 15 HD11 ILE 15 1.129 5.879 -6.287 137 HD12 ILE 15 HD12 ILE 15 2.505 4.821 -6.623 138 HD13 ILE 15 HD13 ILE 15 1.875 5.876 -7.903 139 H SER 16 H SER 16 -3.522 2.761 -7.946 140 HA SER 16 HA SER 16 -5.319 3.457 -10.118 141 HB2 SER 16 HB2 SER 16 -5.663 1.474 -8.722 142 HB3 SER 16 HB3 SER 16 -5.859 2.483 -7.292 143 HG SER 16 HG SER 16 -7.517 2.117 -9.501 144 H ASN 17 H ASN 17 -7.422 4.528 -8.958 145 HA ASN 17 HA ASN 17 -6.534 7.325 -8.458 146 HB2 ASN 17 HB2 ASN 17 -8.352 6.622 -10.262 147 HB3 ASN 17 HB3 ASN 17 -9.450 6.746 -8.871 148 HD21 ASN 17 HD21 ASN 17 -10.017 8.987 -8.178 149 HD22 ASN 17 HD22 ASN 17 -9.088 10.350 -8.742 150 H SER 18 H SER 18 -8.376 4.659 -6.895 151 HA SER 18 HA SER 18 -7.760 5.829 -4.369 152 HB2 SER 18 HB2 SER 18 -9.940 6.994 -4.829 153 HB3 SER 18 HB3 SER 18 -10.714 5.435 -4.967 154 HG SER 18 HG SER 18 -10.961 6.212 -2.862 155 H PHE 19 H PHE 19 -8.524 4.337 -2.650 156 HA PHE 19 HA PHE 19 -7.630 1.635 -3.081 157 HB2 PHE 19 HB2 PHE 19 -7.299 2.972 -1.019 158 HB3 PHE 19 HB3 PHE 19 -9.038 2.935 -0.726 159 HD1 PHE 19 HD1 PHE 19 -10.175 0.723 -0.214 160 HD2 PHE 19 HD2 PHE 19 -5.890 1.196 -0.220 161 HE1 PHE 19 HE1 PHE 19 -9.947 -1.322 1.147 162 HE2 PHE 19 HE2 PHE 19 -5.691 -0.783 1.242 163 HZ PHE 19 HZ PHE 19 -7.702 -2.074 1.921 164 H GLU 20 H GLU 20 -10.835 3.194 -3.171 165 HA GLU 20 HA GLU 20 -12.200 0.588 -3.258 166 HB2 GLU 20 HB2 GLU 20 -12.836 3.122 -2.080 167 HB3 GLU 20 HB3 GLU 20 -13.958 2.931 -3.412 168 HG2 GLU 20 HG2 GLU 20 -14.208 0.481 -2.503 169 HG3 GLU 20 HG3 GLU 20 -13.497 1.126 -1.050 170 H ASP 21 H ASP 21 -10.414 1.904 -5.329 171 HA ASP 21 HA ASP 21 -12.202 1.471 -7.676 172 HB2 ASP 21 HB2 ASP 21 -10.971 3.983 -6.839 173 HB3 ASP 21 HB3 ASP 21 -10.180 3.460 -8.305 174 H CYS 22 H CYS 22 -9.428 0.591 -6.021 175 HA CYS 22 HA CYS 22 -7.680 0.256 -8.308 176 HB2 CYS 22 HB2 CYS 22 -6.186 -0.887 -6.698 177 HB3 CYS 22 HB3 CYS 22 -6.745 0.704 -6.141 178 HG CYS 22 HG CYS 22 -8.600 -1.879 -5.439 179 H LYS 23 H LYS 23 -6.883 -1.645 -9.027 180 HA LYS 23 HA LYS 23 -9.031 -3.716 -9.443 181 HB2 LYS 23 HB2 LYS 23 -6.496 -2.882 -10.848 182 HB3 LYS 23 HB3 LYS 23 -7.235 -4.439 -11.209 183 HG2 LYS 23 HG2 LYS 23 -7.721 -2.291 -12.673 184 HG3 LYS 23 HG3 LYS 23 -8.920 -3.520 -12.400 185 HD2 LYS 23 HD2 LYS 23 -9.909 -2.087 -10.541 186 HD3 LYS 23 HD3 LYS 23 -8.706 -0.895 -10.970 187 HE2 LYS 23 HE2 LYS 23 -10.593 -0.148 -12.080 188 HE3 LYS 23 HE3 LYS 23 -9.754 -1.058 -13.367 189 HZ1 LYS 23 HZ1 LYS 23 -11.256 -2.889 -12.944 190 HZ2 LYS 23 HZ2 LYS 23 -12.169 -1.525 -13.084 191 HZ3 LYS 23 HZ3 LYS 23 -11.883 -2.200 -11.614 192 H TYR 24 H TYR 24 -5.724 -3.318 -8.115 193 HA TYR 24 HA TYR 24 -6.155 -5.688 -6.551 194 HB2 TYR 24 HB2 TYR 24 -4.329 -6.984 -7.378 195 HB3 TYR 24 HB3 TYR 24 -5.365 -6.656 -8.742 196 HD1 TYR 24 HD2 TYR 24 -4.731 -4.759 -10.307 197 HD2 TYR 24 HD1 TYR 24 -1.970 -6.598 -7.555 198 HE1 TYR 24 HE2 TYR 24 -2.787 -3.926 -11.639 199 HE2 TYR 24 HE1 TYR 24 -0.165 -5.879 -8.772 200 HH TYR 24 HH TYR 24 -0.576 -4.500 -12.060 201 H PHE 25 H PHE 25 -4.084 -6.126 -5.285 202 HA PHE 25 HA PHE 25 -2.791 -3.582 -4.465 203 HB2 PHE 25 HB2 PHE 25 -3.482 -6.109 -2.986 204 HB3 PHE 25 HB3 PHE 25 -2.641 -4.740 -2.270 205 HD1 PHE 25 HD1 PHE 25 -4.019 -2.397 -2.827 206 HD2 PHE 25 HD2 PHE 25 -5.693 -6.330 -2.361 207 HE1 PHE 25 HE1 PHE 25 -6.262 -1.399 -2.168 208 HE2 PHE 25 HE2 PHE 25 -7.902 -5.337 -1.763 209 HZ PHE 25 HZ PHE 25 -8.156 -2.857 -1.656 210 H LEU 26 H LEU 26 -0.783 -3.584 -5.348 211 HA LEU 26 HA LEU 26 0.660 -6.096 -5.756 212 HB2 LEU 26 HB2 LEU 26 0.806 -4.021 -7.297 213 HB3 LEU 26 HB3 LEU 26 1.818 -3.313 -6.052 214 HG LEU 26 HG LEU 26 3.142 -4.231 -7.783 215 HD11 LEU 26 HD11 LEU 26 3.839 -4.773 -5.395 216 HD12 LEU 26 HD12 LEU 26 4.593 -5.686 -6.740 217 HD13 LEU 26 HD13 LEU 26 3.306 -6.467 -5.817 218 HD21 LEU 26 HD21 LEU 26 1.447 -6.717 -7.601 219 HD22 LEU 26 HD22 LEU 26 3.065 -6.876 -8.174 220 HD23 LEU 26 HD23 LEU 26 1.991 -5.792 -9.033 221 H ILE 27 H ILE 27 1.332 -7.018 -3.891 222 HA ILE 27 HA ILE 27 2.178 -5.533 -1.537 223 HB ILE 27 HB ILE 27 2.615 -8.480 -2.070 224 HG12 ILE 27 HG12 ILE 27 0.209 -8.101 -2.233 225 HG13 ILE 27 HG13 ILE 27 0.638 -8.920 -0.778 226 HG21 ILE 27 HG21 ILE 27 4.041 -7.603 -0.349 227 HG22 ILE 27 HG22 ILE 27 2.678 -6.835 0.476 228 HG23 ILE 27 HG23 ILE 27 2.778 -8.618 0.362 229 HD11 ILE 27 HD11 ILE 27 0.520 -6.476 0.325 230 HD12 ILE 27 HD12 ILE 27 -0.415 -6.091 -1.138 231 HD13 ILE 27 HD13 ILE 27 -0.952 -7.352 -0.015 232 H VAL 28 H VAL 28 3.927 -4.271 -2.047 233 HA VAL 28 HA VAL 28 6.321 -5.330 -3.432 234 HB VAL 28 HB VAL 28 6.064 -2.830 -1.701 235 HG11 VAL 28 HG11 VAL 28 7.947 -3.557 -4.010 236 HG12 VAL 28 HG12 VAL 28 7.948 -2.017 -3.135 237 HG13 VAL 28 HG13 VAL 28 8.385 -3.490 -2.285 238 HG21 VAL 28 HG21 VAL 28 5.722 -1.489 -3.711 239 HG22 VAL 28 HG22 VAL 28 5.517 -2.968 -4.685 240 HG23 VAL 28 HG23 VAL 28 4.359 -2.567 -3.401 241 H ARG 29 H ARG 29 8.174 -6.054 -2.108 242 HA ARG 29 HA ARG 29 7.776 -5.824 0.824 243 HB2 ARG 29 HB2 ARG 29 8.268 -8.035 1.286 244 HB3 ARG 29 HB3 ARG 29 7.271 -8.166 -0.158 245 HG2 ARG 29 HG2 ARG 29 8.868 -9.594 -0.626 246 HG3 ARG 29 HG3 ARG 29 9.543 -8.147 -1.362 247 HD2 ARG 29 HD2 ARG 29 11.141 -7.924 0.482 248 HD3 ARG 29 HD3 ARG 29 10.249 -9.128 1.435 249 HE ARG 29 HE ARG 29 11.387 -10.003 -1.144 250 HH11 ARG 29 HH11 ARG 29 11.899 -9.879 2.391 251 HH12 ARG 29 HH12 ARG 29 12.930 -11.235 2.424 252 HH21 ARG 29 HH21 ARG 29 13.069 -11.647 -1.114 253 HH22 ARG 29 HH22 ARG 29 13.846 -11.925 0.405 254 H ILE 30 H ILE 30 9.544 -5.256 1.950 255 HA ILE 30 HA ILE 30 11.965 -4.582 0.354 256 HB ILE 30 HB ILE 30 10.743 -3.307 2.791 257 HG12 ILE 30 HG12 ILE 30 11.372 -1.927 0.171 258 HG13 ILE 30 HG13 ILE 30 9.863 -2.767 0.382 259 HG21 ILE 30 HG21 ILE 30 13.427 -2.738 1.511 260 HG22 ILE 30 HG22 ILE 30 12.653 -1.639 2.664 261 HG23 ILE 30 HG23 ILE 30 13.121 -3.258 3.178 262 HD11 ILE 30 HD11 ILE 30 10.765 -0.597 2.316 263 HD12 ILE 30 HD12 ILE 30 9.739 -0.318 0.904 264 HD13 ILE 30 HD13 ILE 30 9.178 -1.383 2.208 265 H ASP 31 H ASP 31 13.928 -5.303 1.161 266 HA ASP 31 HA ASP 31 14.062 -6.565 3.795 267 HB2 ASP 31 HB2 ASP 31 13.470 -8.225 1.736 268 HB3 ASP 31 HB3 ASP 31 15.208 -8.138 1.518 269 H ASP 32 H ASP 32 15.928 -5.805 4.662 270 HA ASP 32 HA ASP 32 17.571 -4.366 4.896 271 HB2 ASP 32 HB2 ASP 32 18.621 -6.620 4.380 272 HB3 ASP 32 HB3 ASP 32 19.034 -5.987 2.779 273 H ASN 33 H ASN 33 15.941 -3.044 3.897 274 HA ASN 33 HA ASN 33 15.204 -1.301 2.714 275 HB2 ASN 33 HB2 ASN 33 17.916 -0.175 2.269 276 HB3 ASN 33 HB3 ASN 33 16.422 0.590 2.778 277 HD21 ASN 33 HD21 ASN 33 16.231 -1.521 5.051 278 HD22 ASN 33 HD22 ASN 33 17.677 -1.222 5.943 279 H GLU 34 H GLU 34 15.869 -3.639 0.873 280 HA GLU 34 HA GLU 34 15.559 -1.906 -1.513 281 HB2 GLU 34 HB2 GLU 34 17.117 -4.461 -1.232 282 HB3 GLU 34 HB3 GLU 34 16.570 -3.860 -2.805 283 HG2 GLU 34 HG2 GLU 34 18.008 -1.858 -2.519 284 HG3 GLU 34 HG3 GLU 34 18.583 -2.516 -0.941 285 H VAL 35 H VAL 35 14.212 -2.789 -3.123 286 HA VAL 35 HA VAL 35 12.084 -4.523 -2.207 287 HB VAL 35 HB VAL 35 11.522 -2.776 -3.715 288 HG11 VAL 35 HG11 VAL 35 13.598 -2.495 -5.018 289 HG12 VAL 35 HG12 VAL 35 13.301 -4.032 -5.849 290 HG13 VAL 35 HG13 VAL 35 12.194 -2.671 -6.073 291 HG21 VAL 35 HG21 VAL 35 10.216 -4.873 -3.827 292 HG22 VAL 35 HG22 VAL 35 10.193 -3.960 -5.340 293 HG23 VAL 35 HG23 VAL 35 11.202 -5.403 -5.201 294 H LYS 36 H LYS 36 12.190 -6.650 -2.085 295 HA LYS 36 HA LYS 36 14.047 -8.105 -3.963 296 HB2 LYS 36 HB2 LYS 36 13.608 -9.019 -1.150 297 HB3 LYS 36 HB3 LYS 36 14.780 -9.593 -2.318 298 HG2 LYS 36 HG2 LYS 36 14.831 -7.006 -0.744 299 HG3 LYS 36 HG3 LYS 36 15.786 -8.451 -0.514 300 HD2 LYS 36 HD2 LYS 36 16.715 -7.976 -2.921 301 HD3 LYS 36 HD3 LYS 36 16.062 -6.359 -2.630 302 HE2 LYS 36 HE2 LYS 36 18.282 -6.203 -1.870 303 HE3 LYS 36 HE3 LYS 36 17.310 -6.376 -0.400 304 HZ1 LYS 36 HZ1 LYS 36 18.807 -8.505 -1.767 305 HZ2 LYS 36 HZ2 LYS 36 17.941 -8.697 -0.358 306 HZ3 LYS 36 HZ3 LYS 36 19.286 -7.740 -0.396 307 H SER 37 H SER 37 10.644 -8.024 -3.007 308 HA SER 37 HA SER 37 10.339 -10.027 -5.016 309 HB2 SER 37 HB2 SER 37 10.653 -11.541 -3.070 310 HB3 SER 37 HB3 SER 37 9.416 -10.670 -2.185 311 HG SER 37 HG SER 37 9.118 -12.419 -4.388 312 H THR 38 H THR 38 7.844 -10.295 -5.322 313 HA THR 38 HA THR 38 6.282 -7.967 -4.504 314 HB THR 38 HB THR 38 5.616 -7.878 -7.085 315 HG1 THR 38 HG1 THR 38 7.322 -8.199 -8.455 316 HG21 THR 38 HG21 THR 38 6.467 -5.994 -5.685 317 HG22 THR 38 HG22 THR 38 6.994 -5.925 -7.358 318 HG23 THR 38 HG23 THR 38 8.131 -6.474 -6.098 319 H LYS 39 H LYS 39 3.992 -8.315 -4.841 320 HA LYS 39 HA LYS 39 3.025 -10.975 -5.750 321 HB2 LYS 39 HB2 LYS 39 3.328 -10.126 -2.930 322 HB3 LYS 39 HB3 LYS 39 1.628 -10.119 -3.302 323 HG2 LYS 39 HG2 LYS 39 1.785 -12.170 -2.559 324 HG3 LYS 39 HG3 LYS 39 2.088 -12.538 -4.250 325 HD2 LYS 39 HD2 LYS 39 4.515 -11.746 -2.739 326 HD3 LYS 39 HD3 LYS 39 3.692 -13.109 -1.984 327 HE2 LYS 39 HE2 LYS 39 4.708 -13.010 -4.868 328 HE3 LYS 39 HE3 LYS 39 5.437 -13.911 -3.530 329 HZ1 LYS 39 HZ1 LYS 39 3.017 -14.490 -5.031 330 HZ2 LYS 39 HZ2 LYS 39 3.076 -14.981 -3.458 331 HZ3 LYS 39 HZ3 LYS 39 4.201 -15.503 -4.546 332 H VAL 40 H VAL 40 0.829 -10.718 -6.488 333 HA VAL 40 HA VAL 40 -0.668 -8.485 -5.684 334 HB VAL 40 HB VAL 40 -0.268 -7.953 -7.500 335 HG11 VAL 40 HG11 VAL 40 -0.185 -9.029 -9.578 336 HG12 VAL 40 HG12 VAL 40 1.106 -9.453 -8.442 337 HG13 VAL 40 HG13 VAL 40 -0.226 -10.662 -8.808 338 HG21 VAL 40 HG21 VAL 40 -2.870 -8.557 -7.423 339 HG22 VAL 40 HG22 VAL 40 -2.294 -8.523 -9.064 340 HG23 VAL 40 HG23 VAL 40 -2.497 -10.063 -8.251 341 H ILE 41 H ILE 41 -2.606 -8.448 -5.019 342 HA ILE 41 HA ILE 41 -4.222 -10.893 -4.635 343 HB ILE 41 HB ILE 41 -3.771 -8.551 -2.718 344 HG12 ILE 41 HG12 ILE 41 -3.268 -11.528 -2.290 345 HG13 ILE 41 HG13 ILE 41 -2.001 -10.355 -2.656 346 HG21 ILE 41 HG21 ILE 41 -6.146 -9.270 -2.864 347 HG22 ILE 41 HG22 ILE 41 -5.650 -10.935 -2.478 348 HG23 ILE 41 HG23 ILE 41 -5.470 -9.617 -1.300 349 HD11 ILE 41 HD11 ILE 41 -2.071 -9.348 -0.577 350 HD12 ILE 41 HD12 ILE 41 -3.708 -9.914 -0.182 351 HD13 ILE 41 HD13 ILE 41 -2.366 -11.049 -0.188 352 H PHE 42 H PHE 42 -5.958 -10.512 -6.024 353 HA PHE 42 HA PHE 42 -6.440 -7.966 -7.248 354 HB2 PHE 42 HB2 PHE 42 -8.143 -10.478 -7.037 355 HB3 PHE 42 HB3 PHE 42 -8.558 -9.087 -8.006 356 HD1 PHE 42 HD1 PHE 42 -6.871 -8.252 -9.775 357 HD2 PHE 42 HD2 PHE 42 -6.645 -12.159 -7.934 358 HE1 PHE 42 HE1 PHE 42 -5.417 -9.020 -11.595 359 HE2 PHE 42 HE2 PHE 42 -5.174 -12.927 -9.784 360 HZ PHE 42 HZ PHE 42 -4.583 -11.365 -11.629 361 H ASN 43 H ASN 43 -8.219 -6.555 -6.946 362 HA ASN 43 HA ASN 43 -9.162 -6.164 -4.200 363 HB2 ASN 43 HB2 ASN 43 -8.773 -4.149 -5.479 364 HB3 ASN 43 HB3 ASN 43 -9.770 -4.758 -6.817 365 HD21 ASN 43 HD21 ASN 43 -11.091 -2.756 -6.626 366 HD22 ASN 43 HD22 ASN 43 -12.438 -2.824 -5.527 367 H ASP 44 H ASP 44 -10.180 -8.057 -3.777 368 HA ASP 44 HA ASP 44 -12.905 -8.375 -4.760 369 HB2 ASP 44 HB2 ASP 44 -10.681 -10.408 -4.827 370 HB3 ASP 44 HB3 ASP 44 -12.167 -10.952 -4.089 371 H GLU 45 H GLU 45 -14.112 -9.538 -2.947 372 HA GLU 45 HA GLU 45 -13.550 -8.535 -0.361 373 HB2 GLU 45 HB2 GLU 45 -15.753 -9.366 -0.937 374 HB3 GLU 45 HB3 GLU 45 -15.124 -10.987 -1.277 375 HG2 GLU 45 HG2 GLU 45 -14.527 -11.336 1.056 376 HG3 GLU 45 HG3 GLU 45 -14.941 -9.669 1.457 377 H SER 46 H SER 46 -12.683 -11.648 -1.848 378 HA SER 46 HA SER 46 -11.475 -12.806 0.475 379 HB2 SER 46 HB2 SER 46 -12.203 -13.698 -1.983 380 HB3 SER 46 HB3 SER 46 -10.451 -13.572 -2.227 381 HG SER 46 HG SER 46 -11.112 -15.598 -1.447 382 H GLY 47 H GLY 47 -10.389 -10.385 -1.839 383 HA2 GLY 47 HA2 GLY 47 -7.579 -10.731 -1.358 384 HA3 GLY 47 HA3 GLY 47 -8.367 -9.326 -2.122 385 H LYS 48 H LYS 48 -10.086 -8.452 -0.128 386 HA LYS 48 HA LYS 48 -8.207 -7.154 1.691 387 HB2 LYS 48 HB2 LYS 48 -11.253 -7.238 1.593 388 HB3 LYS 48 HB3 LYS 48 -10.346 -6.250 2.751 389 HG2 LYS 48 HG2 LYS 48 -9.471 -4.815 1.063 390 HG3 LYS 48 HG3 LYS 48 -9.868 -5.960 -0.221 391 HD2 LYS 48 HD2 LYS 48 -11.467 -4.372 -0.510 392 HD3 LYS 48 HD3 LYS 48 -12.325 -5.629 0.368 393 HE2 LYS 48 HE2 LYS 48 -11.133 -3.135 1.705 394 HE3 LYS 48 HE3 LYS 48 -12.717 -3.136 0.956 395 HZ1 LYS 48 HZ1 LYS 48 -13.063 -3.530 3.202 396 HZ2 LYS 48 HZ2 LYS 48 -11.931 -4.686 3.347 397 HZ3 LYS 48 HZ3 LYS 48 -13.303 -5.000 2.497 398 H LYS 49 H LYS 49 -10.129 -10.106 1.945 399 HA LYS 49 HA LYS 49 -9.492 -10.526 4.749 400 HB2 LYS 49 HB2 LYS 49 -10.199 -12.358 2.434 401 HB3 LYS 49 HB3 LYS 49 -9.711 -12.974 3.999 402 HG2 LYS 49 HG2 LYS 49 -11.564 -11.867 5.113 403 HG3 LYS 49 HG3 LYS 49 -12.006 -11.007 3.623 404 HD2 LYS 49 HD2 LYS 49 -12.555 -13.091 2.502 405 HD3 LYS 49 HD3 LYS 49 -12.033 -14.053 3.887 406 HE2 LYS 49 HE2 LYS 49 -14.122 -11.896 4.273 407 HE3 LYS 49 HE3 LYS 49 -14.587 -13.388 3.454 408 HZ1 LYS 49 HZ1 LYS 49 -15.020 -13.550 5.776 409 HZ2 LYS 49 HZ2 LYS 49 -13.432 -13.272 6.176 410 HZ3 LYS 49 HZ3 LYS 49 -13.871 -14.631 5.367 411 H SER 50 H SER 50 -7.828 -11.768 1.726 412 HA SER 50 HA SER 50 -5.689 -12.902 3.019 413 HB2 SER 50 HB2 SER 50 -5.718 -11.536 0.302 414 HB3 SER 50 HB3 SER 50 -4.482 -12.673 0.875 415 HG SER 50 HG SER 50 -6.043 -13.728 -0.365 416 H ILE 51 H ILE 51 -6.007 -9.425 2.213 417 HA ILE 51 HA ILE 51 -3.497 -8.441 2.815 418 HB ILE 51 HB ILE 51 -6.282 -7.394 3.423 419 HG12 ILE 51 HG12 ILE 51 -4.041 -6.553 1.619 420 HG13 ILE 51 HG13 ILE 51 -5.370 -7.561 1.085 421 HG21 ILE 51 HG21 ILE 51 -5.291 -5.177 4.027 422 HG22 ILE 51 HG22 ILE 51 -4.956 -6.404 5.228 423 HG23 ILE 51 HG23 ILE 51 -3.690 -5.934 4.076 424 HD11 ILE 51 HD11 ILE 51 -6.888 -5.654 1.206 425 HD12 ILE 51 HD12 ILE 51 -5.630 -4.657 1.956 426 HD13 ILE 51 HD13 ILE 51 -5.413 -5.241 0.311 427 H VAL 52 H VAL 52 -5.914 -9.531 5.193 428 HA VAL 52 HA VAL 52 -4.489 -8.487 7.432 429 HB VAL 52 HB VAL 52 -6.570 -10.721 7.361 430 HG11 VAL 52 HG11 VAL 52 -5.594 -10.526 9.538 431 HG12 VAL 52 HG12 VAL 52 -5.659 -8.755 9.490 432 HG13 VAL 52 HG13 VAL 52 -7.159 -9.689 9.613 433 HG21 VAL 52 HG21 VAL 52 -7.489 -8.831 6.126 434 HG22 VAL 52 HG22 VAL 52 -8.237 -8.896 7.705 435 HG23 VAL 52 HG23 VAL 52 -6.957 -7.697 7.383 436 H LYS 53 H LYS 53 -4.279 -11.541 5.640 437 HA LYS 53 HA LYS 53 -2.525 -12.695 7.718 438 HB2 LYS 53 HB2 LYS 53 -3.865 -13.775 5.221 439 HB3 LYS 53 HB3 LYS 53 -2.306 -14.455 5.663 440 HG2 LYS 53 HG2 LYS 53 -3.754 -15.861 6.764 441 HG3 LYS 53 HG3 LYS 53 -3.183 -14.773 8.016 442 HD2 LYS 53 HD2 LYS 53 -5.525 -13.507 7.129 443 HD3 LYS 53 HD3 LYS 53 -5.909 -15.207 6.913 444 HE2 LYS 53 HE2 LYS 53 -5.148 -13.750 9.471 445 HE3 LYS 53 HE3 LYS 53 -6.669 -14.580 9.096 446 HZ1 LYS 53 HZ1 LYS 53 -4.034 -15.840 9.592 447 HZ2 LYS 53 HZ2 LYS 53 -5.380 -16.680 9.133 448 HZ3 LYS 53 HZ3 LYS 53 -5.318 -15.874 10.571 449 H GLU 54 H GLU 54 -2.317 -10.987 4.604 450 HA GLU 54 HA GLU 54 0.127 -11.940 3.846 451 HB2 GLU 54 HB2 GLU 54 -1.596 -10.573 2.544 452 HB3 GLU 54 HB3 GLU 54 -0.928 -9.135 3.309 453 HG2 GLU 54 HG2 GLU 54 -0.025 -9.343 1.166 454 HG3 GLU 54 HG3 GLU 54 1.297 -9.695 2.274 455 H ASN 55 H ASN 55 -0.510 -9.635 6.365 456 HA ASN 55 HA ASN 55 0.839 -8.747 7.963 457 HB2 ASN 55 HB2 ASN 55 2.216 -11.019 7.366 458 HB3 ASN 55 HB3 ASN 55 3.434 -9.832 6.939 459 HD21 ASN 55 HD21 ASN 55 4.409 -8.563 8.750 460 HD22 ASN 55 HD22 ASN 55 4.031 -9.024 10.400 461 H VAL 56 H VAL 56 0.185 -7.353 5.520 462 HA VAL 56 HA VAL 56 2.344 -5.752 4.564 463 HB VAL 56 HB VAL 56 -0.383 -4.547 5.016 464 HG11 VAL 56 HG11 VAL 56 1.471 -3.322 3.898 465 HG12 VAL 56 HG12 VAL 56 1.467 -4.542 2.610 466 HG13 VAL 56 HG13 VAL 56 0.037 -3.514 2.891 467 HG21 VAL 56 HG21 VAL 56 0.161 -6.682 2.893 468 HG22 VAL 56 HG22 VAL 56 -1.112 -6.712 4.154 469 HG23 VAL 56 HG23 VAL 56 -1.179 -5.520 2.855 470 H ASN 57 H ASN 57 3.179 -3.783 5.362 471 HA ASN 57 HA ASN 57 2.844 -3.157 8.221 472 HB2 ASN 57 HB2 ASN 57 5.030 -3.185 6.806 473 HB3 ASN 57 HB3 ASN 57 4.467 -1.672 6.105 474 HD21 ASN 57 HD21 ASN 57 6.475 -2.877 8.392 475 HD22 ASN 57 HD22 ASN 57 6.449 -1.522 9.485 476 H ALA 58 H ALA 58 2.260 -1.757 4.974 477 HA ALA 58 HA ALA 58 0.418 0.255 6.013 478 HB1 ALA 58 HB1 ALA 58 1.792 2.110 5.255 479 HB2 ALA 58 HB2 ALA 58 2.669 1.194 6.493 480 HB3 ALA 58 HB3 ALA 58 3.095 0.999 4.779 481 H ILE 59 H ILE 59 -0.568 1.511 4.160 482 HA ILE 59 HA ILE 59 -0.342 0.041 1.577 483 HB ILE 59 HB ILE 59 -2.646 1.629 2.763 484 HG12 ILE 59 HG12 ILE 59 -2.795 -1.328 2.289 485 HG13 ILE 59 HG13 ILE 59 -1.963 -0.825 3.731 486 HG21 ILE 59 HG21 ILE 59 -2.771 1.672 0.332 487 HG22 ILE 59 HG22 ILE 59 -2.371 -0.056 0.213 488 HG23 ILE 59 HG23 ILE 59 -3.918 0.462 0.871 489 HD11 ILE 59 HD11 ILE 59 -4.335 -1.310 4.179 490 HD12 ILE 59 HD12 ILE 59 -3.908 0.367 4.561 491 HD13 ILE 59 HD13 ILE 59 -4.812 0.004 3.081 492 H ILE 60 H ILE 60 -0.241 1.387 -0.349 493 HA ILE 60 HA ILE 60 0.005 4.312 0.016 494 HB ILE 60 HB ILE 60 1.486 2.528 -1.961 495 HG12 ILE 60 HG12 ILE 60 2.432 4.147 0.421 496 HG13 ILE 60 HG13 ILE 60 2.441 2.418 0.270 497 HG21 ILE 60 HG21 ILE 60 0.839 4.938 -2.799 498 HG22 ILE 60 HG22 ILE 60 2.049 5.467 -1.654 499 HG23 ILE 60 HG23 ILE 60 2.511 4.374 -2.982 500 HD11 ILE 60 HD11 ILE 60 4.234 4.362 -1.227 501 HD12 ILE 60 HD12 ILE 60 4.684 3.135 -0.044 502 HD13 ILE 60 HD13 ILE 60 4.089 2.639 -1.646 503 H CYS 61 H CYS 61 -1.442 5.459 -1.316 504 HA CYS 61 HA CYS 61 -2.351 4.653 -3.787 505 HB2 CYS 61 HB2 CYS 61 -3.904 3.179 -2.371 506 HB3 CYS 61 HB3 CYS 61 -4.648 4.640 -1.769 507 HG CYS 61 HG CYS 61 -6.190 3.665 -3.545 508 H LYS 62 H LYS 62 -3.783 6.330 -4.671 509 HA LYS 62 HA LYS 62 -3.158 9.030 -3.735 510 HB2 LYS 62 HB2 LYS 62 -5.025 7.851 -5.852 511 HB3 LYS 62 HB3 LYS 62 -5.044 9.571 -5.431 512 HG2 LYS 62 HG2 LYS 62 -2.660 9.767 -5.992 513 HG3 LYS 62 HG3 LYS 62 -2.608 8.056 -6.465 514 HD2 LYS 62 HD2 LYS 62 -4.219 8.444 -8.261 515 HD3 LYS 62 HD3 LYS 62 -4.506 10.107 -7.692 516 HE2 LYS 62 HE2 LYS 62 -2.068 10.593 -8.083 517 HE3 LYS 62 HE3 LYS 62 -1.910 8.992 -8.835 518 HZ1 LYS 62 HZ1 LYS 62 -2.291 10.729 -10.478 519 HZ2 LYS 62 HZ2 LYS 62 -3.703 11.158 -9.765 520 HZ3 LYS 62 HZ3 LYS 62 -3.561 9.711 -10.476 521 H ASN 63 H ASN 63 -5.976 6.773 -3.256 522 HA ASN 63 HA ASN 63 -7.036 8.727 -1.326 523 HB2 ASN 63 HB2 ASN 63 -8.260 8.094 -3.999 524 HB3 ASN 63 HB3 ASN 63 -9.336 8.434 -2.689 525 HD21 ASN 63 HD21 ASN 63 -7.886 9.858 -5.272 526 HD22 ASN 63 HD22 ASN 63 -7.511 11.461 -4.636 527 H ILE 64 H ILE 64 -9.066 7.828 -0.347 528 HA ILE 64 HA ILE 64 -9.513 5.004 -0.307 529 HB ILE 64 HB ILE 64 -7.363 5.035 0.914 530 HG12 ILE 64 HG12 ILE 64 -9.706 4.627 2.801 531 HG13 ILE 64 HG13 ILE 64 -9.030 3.443 1.672 532 HG21 ILE 64 HG21 ILE 64 -8.529 6.928 2.967 533 HG22 ILE 64 HG22 ILE 64 -6.859 6.343 2.816 534 HG23 ILE 64 HG23 ILE 64 -7.488 7.485 1.648 535 HD11 ILE 64 HD11 ILE 64 -8.145 2.920 3.839 536 HD12 ILE 64 HD12 ILE 64 -6.832 3.714 2.950 537 HD13 ILE 64 HD13 ILE 64 -7.723 4.619 4.156 538 H SER 65 H SER 65 -11.551 4.579 0.688 539 HA SER 65 HA SER 65 -13.139 6.946 1.194 540 HB2 SER 65 HB2 SER 65 -14.825 4.988 1.534 541 HB3 SER 65 HB3 SER 65 -14.165 5.331 -0.096 542 HG SER 65 HG SER 65 -14.230 3.130 0.436 543 H GLU 66 H GLU 66 -14.155 7.450 3.233 544 HA GLU 66 HA GLU 66 -12.817 7.248 5.531 545 HB2 GLU 66 HB2 GLU 66 -14.868 8.649 5.219 546 HB3 GLU 66 HB3 GLU 66 -15.865 7.187 5.311 547 HG2 GLU 66 HG2 GLU 66 -15.142 6.707 7.580 548 HG3 GLU 66 HG3 GLU 66 -13.943 7.989 7.519 549 H GLU 67 H GLU 67 -15.297 4.914 4.424 550 HA GLU 67 HA GLU 67 -15.433 3.286 6.656 551 HB2 GLU 67 HB2 GLU 67 -16.776 3.345 4.478 552 HB3 GLU 67 HB3 GLU 67 -15.583 2.206 3.831 553 HG2 GLU 67 HG2 GLU 67 -17.053 1.773 6.466 554 HG3 GLU 67 HG3 GLU 67 -17.797 1.368 4.946 555 H ASN 68 H ASN 68 -13.388 2.773 3.788 556 HA ASN 68 HA ASN 68 -11.944 0.584 4.862 557 HB2 ASN 68 HB2 ASN 68 -11.545 2.436 2.510 558 HB3 ASN 68 HB3 ASN 68 -10.217 1.383 3.008 559 HD21 ASN 68 HD21 ASN 68 -12.641 1.375 0.717 560 HD22 ASN 68 HD22 ASN 68 -12.631 -0.336 0.538 561 H TYR 69 H TYR 69 -11.184 4.098 4.909 562 HA TYR 69 HA TYR 69 -8.567 3.907 6.046 563 HB2 TYR 69 HB2 TYR 69 -9.576 5.969 5.095 564 HB3 TYR 69 HB3 TYR 69 -10.571 6.124 6.543 565 HD1 TYR 69 HD2 TYR 69 -9.312 6.138 8.864 566 HD2 TYR 69 HD1 TYR 69 -7.375 6.854 5.086 567 HE1 TYR 69 HE2 TYR 69 -7.314 6.852 10.043 568 HE2 TYR 69 HE1 TYR 69 -5.400 7.853 6.320 569 HH TYR 69 HH TYR 69 -5.176 7.851 9.829 570 H LYS 70 H LYS 70 -11.642 4.589 7.761 571 HA LYS 70 HA LYS 70 -10.523 4.242 10.354 572 HB2 LYS 70 HB2 LYS 70 -13.383 4.115 9.328 573 HB3 LYS 70 HB3 LYS 70 -12.972 3.934 11.044 574 HG2 LYS 70 HG2 LYS 70 -11.929 6.110 11.107 575 HG3 LYS 70 HG3 LYS 70 -12.255 6.380 9.387 576 HD2 LYS 70 HD2 LYS 70 -14.673 6.322 9.821 577 HD3 LYS 70 HD3 LYS 70 -14.410 5.939 11.525 578 HE2 LYS 70 HE2 LYS 70 -13.396 8.446 10.107 579 HE3 LYS 70 HE3 LYS 70 -14.934 8.376 10.946 580 HZ1 LYS 70 HZ1 LYS 70 -13.096 9.268 12.310 581 HZ2 LYS 70 HZ2 LYS 70 -12.344 7.821 12.309 582 HZ3 LYS 70 HZ3 LYS 70 -13.815 7.964 13.015 583 H LYS 71 H LYS 71 -11.814 1.767 8.099 584 HA LYS 71 HA LYS 71 -11.991 -0.286 10.063 585 HB2 LYS 71 HB2 LYS 71 -13.019 -0.173 7.732 586 HB3 LYS 71 HB3 LYS 71 -11.455 -0.587 7.067 587 HG2 LYS 71 HG2 LYS 71 -11.732 -2.748 7.525 588 HG3 LYS 71 HG3 LYS 71 -12.216 -2.461 9.210 589 HD2 LYS 71 HD2 LYS 71 -14.048 -2.160 6.815 590 HD3 LYS 71 HD3 LYS 71 -13.935 -3.619 7.805 591 HE2 LYS 71 HE2 LYS 71 -15.681 -2.746 8.922 592 HE3 LYS 71 HE3 LYS 71 -14.458 -1.791 9.766 593 HZ1 LYS 71 HZ1 LYS 71 -16.413 -0.527 8.797 594 HZ2 LYS 71 HZ2 LYS 71 -15.845 -0.876 7.311 595 HZ3 LYS 71 HZ3 LYS 71 -14.965 0.059 8.321 596 H PHE 72 H PHE 72 -9.377 0.526 7.672 597 HA PHE 72 HA PHE 72 -7.752 -1.635 8.786 598 HB2 PHE 72 HB2 PHE 72 -7.399 0.304 6.484 599 HB3 PHE 72 HB3 PHE 72 -6.057 -0.656 7.070 600 HD1 PHE 72 HD2 PHE 72 -6.235 -3.170 7.199 601 HD2 PHE 72 HD1 PHE 72 -9.120 -0.774 5.077 602 HE1 PHE 72 HE2 PHE 72 -7.030 -5.194 5.984 603 HE2 PHE 72 HE1 PHE 72 -9.889 -2.770 3.859 604 HZ PHE 72 HZ PHE 72 -8.851 -4.999 4.314 605 H SER 73 H SER 73 -7.936 1.842 9.321 606 HA SER 73 HA SER 73 -5.372 2.055 10.530 607 HB2 SER 73 HB2 SER 73 -6.725 3.931 9.522 608 HB3 SER 73 HB3 SER 73 -7.733 3.917 10.986 609 HG SER 73 HG SER 73 -4.885 4.109 10.970 610 H LYS 74 H LYS 74 -5.666 0.035 11.612 611 HA LYS 74 HA LYS 74 -6.045 0.422 14.496 612 HB2 LYS 74 HB2 LYS 74 -7.918 -1.027 12.926 613 HB3 LYS 74 HB3 LYS 74 -6.912 -2.279 13.606 614 HG2 LYS 74 HG2 LYS 74 -8.099 -0.024 15.292 615 HG3 LYS 74 HG3 LYS 74 -9.004 -1.472 14.895 616 HD2 LYS 74 HD2 LYS 74 -6.322 -1.555 16.351 617 HD3 LYS 74 HD3 LYS 74 -7.885 -1.433 17.165 618 HE2 LYS 74 HE2 LYS 74 -8.629 -3.515 15.950 619 HE3 LYS 74 HE3 LYS 74 -6.970 -3.708 15.369 620 HZ1 LYS 74 HZ1 LYS 74 -7.915 -3.747 18.171 621 HZ2 LYS 74 HZ2 LYS 74 -6.308 -3.798 17.773 622 HZ3 LYS 74 HZ3 LYS 74 -7.339 -5.006 17.315 623 H LYS 75 H LYS 75 -4.659 -1.414 11.742 624 HA LYS 75 HA LYS 75 -2.226 -1.820 13.341 625 HB2 LYS 75 HB2 LYS 75 -3.975 -4.082 12.332 626 HB3 LYS 75 HB3 LYS 75 -2.253 -4.225 12.141 627 HG2 LYS 75 HG2 LYS 75 -2.217 -5.093 14.191 628 HG3 LYS 75 HG3 LYS 75 -2.317 -3.447 14.772 629 HD2 LYS 75 HD2 LYS 75 -4.131 -4.156 15.936 630 HD3 LYS 75 HD3 LYS 75 -4.990 -4.035 14.408 631 HE2 LYS 75 HE2 LYS 75 -5.481 -6.225 15.245 632 HE3 LYS 75 HE3 LYS 75 -4.310 -6.454 13.938 633 HZ1 LYS 75 HZ1 LYS 75 -3.597 -7.763 15.800 634 HZ2 LYS 75 HZ2 LYS 75 -3.730 -6.502 16.858 635 HZ3 LYS 75 HZ3 LYS 75 -2.579 -6.498 15.733 636 H ILE 76 H ILE 76 -3.585 -0.847 10.384 637 HA ILE 76 HA ILE 76 -0.954 -1.226 9.079 638 HB ILE 76 HB ILE 76 -3.652 -1.264 7.684 639 HG12 ILE 76 HG12 ILE 76 -1.811 -3.587 8.420 640 HG13 ILE 76 HG13 ILE 76 -3.486 -3.336 8.925 641 HG21 ILE 76 HG21 ILE 76 -0.858 -1.859 6.634 642 HG22 ILE 76 HG22 ILE 76 -2.354 -1.882 5.694 643 HG23 ILE 76 HG23 ILE 76 -1.768 -0.360 6.345 644 HD11 ILE 76 HD11 ILE 76 -2.500 -4.113 6.167 645 HD12 ILE 76 HD12 ILE 76 -3.573 -5.008 7.252 646 HD13 ILE 76 HD13 ILE 76 -4.144 -3.514 6.462 647 H GLU 77 H GLU 77 -0.101 0.661 8.270 648 HA GLU 77 HA GLU 77 -1.570 3.181 8.828 649 HB2 GLU 77 HB2 GLU 77 1.284 2.591 7.995 650 HB3 GLU 77 HB3 GLU 77 0.598 4.224 8.147 651 HG2 GLU 77 HG2 GLU 77 -0.025 3.620 10.527 652 HG3 GLU 77 HG3 GLU 77 0.986 2.183 10.343 653 H ILE 78 H ILE 78 -2.004 4.722 7.230 654 HA ILE 78 HA ILE 78 -1.907 3.808 4.427 655 HB ILE 78 HB ILE 78 -3.885 5.488 6.041 656 HG12 ILE 78 HG12 ILE 78 -4.880 3.009 4.826 657 HG13 ILE 78 HG13 ILE 78 -3.648 2.626 5.953 658 HG21 ILE 78 HG21 ILE 78 -5.299 5.277 4.014 659 HG22 ILE 78 HG22 ILE 78 -3.809 6.184 3.694 660 HG23 ILE 78 HG23 ILE 78 -3.927 4.486 3.197 661 HD11 ILE 78 HD11 ILE 78 -6.083 4.303 6.614 662 HD12 ILE 78 HD12 ILE 78 -5.854 2.583 6.994 663 HD13 ILE 78 HD13 ILE 78 -4.809 3.799 7.751 664 H TYR 79 H TYR 79 -0.622 4.991 3.124 665 HA TYR 79 HA TYR 79 0.210 7.714 3.988 666 HB2 TYR 79 HB2 TYR 79 1.596 5.615 2.295 667 HB3 TYR 79 HB3 TYR 79 2.140 7.270 2.469 668 HD1 TYR 79 HD1 TYR 79 1.363 4.222 4.625 669 HD2 TYR 79 HD2 TYR 79 3.313 8.074 4.364 670 HE1 TYR 79 HE1 TYR 79 2.585 3.790 6.739 671 HE2 TYR 79 HE2 TYR 79 4.427 7.670 6.502 672 HH TYR 79 HH TYR 79 3.845 4.696 8.491 673 H HIS 80 H HIS 80 0.613 9.321 2.193 674 HA HIS 80 HA HIS 80 -1.458 9.027 0.075 675 HB2 HIS 80 HB2 HIS 80 -1.198 11.150 1.623 676 HB3 HIS 80 HB3 HIS 80 0.133 11.543 0.567 677 HD1 HIS 80 HD1 HIS 80 -1.041 13.614 -0.777 678 HD2 HIS 80 HD2 HIS 80 -3.190 9.975 -0.812 679 HE1 HIS 80 HE1 HIS 80 -3.048 13.905 -2.337 680 H ALA 81 H ALA 81 -0.950 9.094 -2.093 681 HA ALA 81 HA ALA 81 1.756 8.402 -2.830 682 HB1 ALA 81 HB1 ALA 81 0.614 7.979 -5.052 683 HB2 ALA 81 HB2 ALA 81 -0.165 7.133 -3.704 684 HB3 ALA 81 HB3 ALA 81 -0.883 8.619 -4.377 685 H GLU 82 H GLU 82 3.284 9.823 -3.419 686 HA GLU 82 HA GLU 82 2.640 12.540 -4.198 687 HB2 GLU 82 HB2 GLU 82 5.172 10.894 -3.852 688 HB3 GLU 82 HB3 GLU 82 5.216 12.384 -4.767 689 HG2 GLU 82 HG2 GLU 82 3.941 13.359 -2.605 690 HG3 GLU 82 HG3 GLU 82 4.725 11.979 -1.848 691 H GLY 83 H GLY 83 2.434 9.778 -5.984 692 HA2 GLY 83 HA2 GLY 83 2.776 11.272 -8.478 693 HA3 GLY 83 HA3 GLY 83 3.987 10.061 -8.119 694 H ASP 84 H ASP 84 2.385 9.802 -10.384 695 HA ASP 84 HA ASP 84 0.681 7.429 -9.815 696 HB2 ASP 84 HB2 ASP 84 1.701 8.518 -12.483 697 HB3 ASP 84 HB3 ASP 84 0.448 7.294 -12.230 698 H ASP 85 H ASP 85 3.936 8.414 -10.311 699 HA ASP 85 HA ASP 85 5.166 6.084 -11.461 700 HB2 ASP 85 HB2 ASP 85 5.903 8.748 -10.723 701 HB3 ASP 85 HB3 ASP 85 6.870 7.733 -9.733 702 H VAL 86 H VAL 86 4.587 4.279 -10.306 703 HA VAL 86 HA VAL 86 4.451 3.840 -7.544 704 HB VAL 86 HB VAL 86 5.386 2.103 -9.861 705 HG11 VAL 86 HG11 VAL 86 6.412 1.050 -8.004 706 HG12 VAL 86 HG12 VAL 86 5.003 1.287 -6.954 707 HG13 VAL 86 HG13 VAL 86 4.925 0.143 -8.328 708 HG21 VAL 86 HG21 VAL 86 2.989 2.848 -9.839 709 HG22 VAL 86 HG22 VAL 86 3.217 1.102 -9.745 710 HG23 VAL 86 HG23 VAL 86 2.805 2.004 -8.272 711 H ASP 87 H ASP 87 7.311 4.117 -9.661 712 HA ASP 87 HA ASP 87 9.112 2.954 -7.751 713 HB2 ASP 87 HB2 ASP 87 9.456 4.480 -10.347 714 HB3 ASP 87 HB3 ASP 87 10.849 4.138 -9.325 715 H LYS 88 H LYS 88 8.332 6.365 -8.586 716 HA LYS 88 HA LYS 88 10.176 7.500 -6.689 717 HB2 LYS 88 HB2 LYS 88 9.237 8.784 -8.515 718 HB3 LYS 88 HB3 LYS 88 7.595 8.467 -7.944 719 HG2 LYS 88 HG2 LYS 88 8.272 10.778 -7.527 720 HG3 LYS 88 HG3 LYS 88 7.789 9.899 -6.090 721 HD2 LYS 88 HD2 LYS 88 9.589 10.660 -5.124 722 HD3 LYS 88 HD3 LYS 88 10.566 9.549 -6.050 723 HE2 LYS 88 HE2 LYS 88 9.834 12.327 -7.094 724 HE3 LYS 88 HE3 LYS 88 11.132 12.089 -5.930 725 HZ1 LYS 88 HZ1 LYS 88 12.182 10.565 -7.510 726 HZ2 LYS 88 HZ2 LYS 88 12.118 12.104 -7.987 727 HZ3 LYS 88 HZ3 LYS 88 11.104 11.028 -8.691 728 H ASN 89 H ASN 89 6.914 6.170 -6.403 729 HA ASN 89 HA ASN 89 6.375 7.367 -3.805 730 HB2 ASN 89 HB2 ASN 89 5.083 5.134 -5.487 731 HB3 ASN 89 HB3 ASN 89 4.587 5.458 -3.841 732 HD21 ASN 89 HD21 ASN 89 5.360 7.638 -6.616 733 HD22 ASN 89 HD22 ASN 89 4.015 8.706 -6.322 734 H ILE 90 H ILE 90 7.761 4.302 -4.916 735 HA ILE 90 HA ILE 90 7.703 3.075 -2.296 736 HB ILE 90 HB ILE 90 9.368 2.398 -4.750 737 HG12 ILE 90 HG12 ILE 90 6.969 0.810 -3.710 738 HG13 ILE 90 HG13 ILE 90 6.764 2.089 -4.859 739 HG21 ILE 90 HG21 ILE 90 8.988 1.010 -2.059 740 HG22 ILE 90 HG22 ILE 90 9.601 0.134 -3.469 741 HG23 ILE 90 HG23 ILE 90 10.496 1.511 -2.843 742 HD11 ILE 90 HD11 ILE 90 6.903 -0.085 -5.961 743 HD12 ILE 90 HD12 ILE 90 8.270 0.944 -6.457 744 HD13 ILE 90 HD13 ILE 90 8.497 -0.380 -5.298 745 H SER 91 H SER 91 10.291 4.808 -4.223 746 HA SER 91 HA SER 91 12.249 4.521 -2.264 747 HB2 SER 91 HB2 SER 91 13.373 6.397 -3.488 748 HB3 SER 91 HB3 SER 91 12.836 5.048 -4.483 749 HG SER 91 HG SER 91 11.590 7.575 -4.225 750 H LEU 92 H LEU 92 9.690 6.986 -2.500 751 HA LEU 92 HA LEU 92 10.786 8.694 -0.419 752 HB2 LEU 92 HB2 LEU 92 8.029 8.280 -1.600 753 HB3 LEU 92 HB3 LEU 92 8.318 9.441 -0.317 754 HG LEU 92 HG LEU 92 9.796 9.552 -2.970 755 HD11 LEU 92 HD11 LEU 92 8.132 11.307 -3.579 756 HD12 LEU 92 HD12 LEU 92 7.254 10.997 -2.088 757 HD13 LEU 92 HD13 LEU 92 7.354 9.734 -3.337 758 HD21 LEU 92 HD21 LEU 92 9.345 11.701 -0.848 759 HD22 LEU 92 HD22 LEU 92 10.244 11.878 -2.357 760 HD23 LEU 92 HD23 LEU 92 10.869 10.813 -1.095 761 H PHE 93 H PHE 93 8.418 6.033 -0.451 762 HA PHE 93 HA PHE 93 7.522 6.225 2.217 763 HB2 PHE 93 HB2 PHE 93 6.304 4.945 0.612 764 HB3 PHE 93 HB3 PHE 93 7.694 3.995 0.173 765 HD1 PHE 93 HD2 PHE 93 5.371 4.624 3.057 766 HD2 PHE 93 HD1 PHE 93 8.247 1.980 1.211 767 HE1 PHE 93 HE2 PHE 93 4.829 2.863 4.720 768 HE2 PHE 93 HE1 PHE 93 7.696 0.237 2.879 769 HZ PHE 93 HZ PHE 93 5.948 0.643 4.582 770 H ILE 94 H ILE 94 10.316 4.492 0.899 771 HA ILE 94 HA ILE 94 10.988 2.980 3.230 772 HB ILE 94 HB ILE 94 12.596 3.950 0.847 773 HG12 ILE 94 HG12 ILE 94 11.832 1.086 1.398 774 HG13 ILE 94 HG13 ILE 94 10.557 2.152 0.812 775 HG21 ILE 94 HG21 ILE 94 14.268 2.175 1.453 776 HG22 ILE 94 HG22 ILE 94 14.200 3.486 2.623 777 HG23 ILE 94 HG23 ILE 94 13.428 1.938 3.003 778 HD11 ILE 94 HD11 ILE 94 11.659 0.971 -1.013 779 HD12 ILE 94 HD12 ILE 94 11.865 2.722 -1.169 780 HD13 ILE 94 HD13 ILE 94 13.196 1.750 -0.582 781 H GLU 95 H GLU 95 12.182 6.254 2.131 782 HA GLU 95 HA GLU 95 13.764 6.605 4.539 783 HB2 GLU 95 HB2 GLU 95 12.744 8.527 2.412 784 HB3 GLU 95 HB3 GLU 95 13.621 9.056 3.845 785 HG2 GLU 95 HG2 GLU 95 15.253 7.009 2.855 786 HG3 GLU 95 HG3 GLU 95 14.661 7.785 1.396 787 H GLY 96 H GLY 96 10.371 6.967 3.758 788 HA2 GLY 96 HA2 GLY 96 8.695 7.008 5.479 789 HA3 GLY 96 HA3 GLY 96 9.850 7.766 6.562 790 H GLU 97 H GLU 97 10.085 9.191 3.535 791 HA GLU 97 HA GLU 97 9.502 11.734 4.328 792 HB2 GLU 97 HB2 GLU 97 10.574 10.371 2.148 793 HB3 GLU 97 HB3 GLU 97 9.162 11.086 1.431 794 HG2 GLU 97 HG2 GLU 97 11.019 12.819 3.102 795 HG3 GLU 97 HG3 GLU 97 11.538 12.213 1.532 796 H LEU 98 H LEU 98 7.467 9.391 2.664 797 HA LEU 98 HA LEU 98 5.320 11.026 1.884 798 HB2 LEU 98 HB2 LEU 98 5.138 8.127 2.833 799 HB3 LEU 98 HB3 LEU 98 3.878 9.003 1.966 800 HG LEU 98 HG LEU 98 6.568 8.100 0.906 801 HD11 LEU 98 HD11 LEU 98 3.698 7.498 0.030 802 HD12 LEU 98 HD12 LEU 98 4.683 6.451 1.046 803 HD13 LEU 98 HD13 LEU 98 5.195 6.767 -0.618 804 HD21 LEU 98 HD21 LEU 98 6.151 10.352 0.023 805 HD22 LEU 98 HD22 LEU 98 4.509 9.909 -0.462 806 HD23 LEU 98 HD23 LEU 98 5.955 9.172 -1.229 807 H SER 99 H SER 99 3.468 11.835 2.785 808 HA SER 99 HA SER 99 3.349 11.587 5.689 809 HB2 SER 99 HB2 SER 99 3.055 13.800 4.404 810 HB3 SER 99 HB3 SER 99 1.418 13.213 4.054 811 HG SER 99 HG SER 99 1.439 14.386 5.947 812 H LYS 100 H LYS 100 1.295 11.180 6.696 813 HA LYS 100 HA LYS 100 0.045 8.765 5.570 814 HB2 LYS 100 HB2 LYS 100 -0.225 10.149 8.253 815 HB3 LYS 100 HB3 LYS 100 -1.265 8.809 7.714 816 HG2 LYS 100 HG2 LYS 100 0.782 7.426 7.248 817 HG3 LYS 100 HG3 LYS 100 1.792 8.734 7.879 818 HD2 LYS 100 HD2 LYS 100 1.530 7.030 9.511 819 HD3 LYS 100 HD3 LYS 100 0.711 8.500 10.087 820 HE2 LYS 100 HE2 LYS 100 -1.468 7.536 9.413 821 HE3 LYS 100 HE3 LYS 100 -0.641 6.123 8.745 822 HZ1 LYS 100 HZ1 LYS 100 0.198 5.684 10.990 823 HZ2 LYS 100 HZ2 LYS 100 -1.466 5.648 10.946 824 HZ3 LYS 100 HZ3 LYS 100 -0.688 6.931 11.588 825 H ILE 101 H ILE 101 -2.175 8.692 5.050 826 HA ILE 101 HA ILE 101 -3.267 11.235 4.066 827 HB ILE 101 HB ILE 101 -4.366 8.390 4.158 828 HG12 ILE 101 HG12 ILE 101 -3.681 10.356 1.903 829 HG13 ILE 101 HG13 ILE 101 -2.649 9.056 2.475 830 HG21 ILE 101 HG21 ILE 101 -5.857 10.872 3.185 831 HG22 ILE 101 HG22 ILE 101 -6.353 9.201 2.881 832 HG23 ILE 101 HG23 ILE 101 -6.318 9.798 4.523 833 HD11 ILE 101 HD11 ILE 101 -4.495 7.420 1.798 834 HD12 ILE 101 HD12 ILE 101 -5.237 8.796 0.935 835 HD13 ILE 101 HD13 ILE 101 -3.616 8.256 0.498 836 H SER 102 H SER 102 -5.120 12.229 4.904 837 HA SER 102 HA SER 102 -5.337 12.378 7.761 838 HB2 SER 102 HB2 SER 102 -6.905 14.204 7.063 839 HB3 SER 102 HB3 SER 102 -5.315 14.338 6.296 840 HG SER 102 HG SER 102 -7.680 14.161 5.146 841 H ASN 103 H ASN 103 -8.310 12.924 7.446 842 HA ASN 103 HA ASN 103 -9.211 10.084 7.447 843 HB2 ASN 103 HB2 ASN 103 -10.853 10.599 9.078 844 HB3 ASN 103 HB3 ASN 103 -9.228 10.774 9.677 845 HD21 ASN 103 HD21 ASN 103 -11.934 12.798 8.433 846 HD22 ASN 103 HD22 ASN 103 -11.513 14.190 9.405 847 HA PRO 104 HA PRO 104 -11.527 12.121 4.059 848 HB2 PRO 104 HB2 PRO 104 -11.293 10.177 2.205 849 HB3 PRO 104 HB3 PRO 104 -9.922 11.331 2.530 850 HG2 PRO 104 HG2 PRO 104 -10.335 8.533 3.686 851 HG3 PRO 104 HG3 PRO 104 -8.874 9.216 2.864 852 HD2 PRO 104 HD2 PRO 104 -9.167 9.166 5.577 853 HD3 PRO 104 HD3 PRO 104 -8.358 10.525 4.733 Start of MODEL 9 1 H1 GLY -2 H GLY -2 23.054 -1.541 7.646 2 HA2 GLY -2 HA2 GLY -2 20.776 -2.305 7.140 3 HA3 GLY -2 HA3 GLY -2 21.175 -2.436 8.851 4 H HIS -1 H HIS -1 19.291 -0.555 6.494 5 HA HIS -1 HA HIS -1 18.166 1.123 8.636 6 HB2 HIS -1 HB2 HIS -1 17.841 1.169 5.624 7 HB3 HIS -1 HB3 HIS -1 16.786 2.050 6.708 8 HD1 HIS -1 HD1 HIS -1 19.917 2.539 4.861 9 HD2 HIS -1 HD2 HIS -1 18.178 3.824 8.474 10 HE1 HIS -1 HE1 HIS -1 21.216 4.608 5.598 11 H MET 1 H MET 1 16.659 -0.949 6.094 12 HA MET 1 HA MET 1 14.327 -1.190 7.889 13 HB2 MET 1 HB2 MET 1 13.907 0.572 6.145 14 HB3 MET 1 HB3 MET 1 14.149 -0.675 4.898 15 HG2 MET 1 HG2 MET 1 11.758 -0.461 5.393 16 HG3 MET 1 HG3 MET 1 12.328 -2.045 5.934 17 HE1 MET 1 HE1 MET 1 10.767 -2.801 7.379 18 HE2 MET 1 HE2 MET 1 10.636 -2.336 9.077 19 HE3 MET 1 HE3 MET 1 9.541 -1.613 7.883 20 H ILE 2 H ILE 2 13.617 -3.054 8.187 21 HA ILE 2 HA ILE 2 14.352 -5.379 6.512 22 HB ILE 2 HB ILE 2 14.209 -5.261 9.538 23 HG12 ILE 2 HG12 ILE 2 15.872 -3.540 9.121 24 HG13 ILE 2 HG13 ILE 2 16.601 -4.988 9.792 25 HG21 ILE 2 HG21 ILE 2 15.676 -7.018 7.584 26 HG22 ILE 2 HG22 ILE 2 15.712 -7.183 9.372 27 HG23 ILE 2 HG23 ILE 2 14.191 -7.412 8.482 28 HD11 ILE 2 HD11 ILE 2 16.721 -4.388 6.816 29 HD12 ILE 2 HD12 ILE 2 17.899 -3.832 7.997 30 HD13 ILE 2 HD13 ILE 2 17.644 -5.578 7.730 31 H ASN 3 H ASN 3 12.642 -7.058 6.489 32 HA ASN 3 HA ASN 3 10.520 -7.706 6.354 33 HB2 ASN 3 HB2 ASN 3 10.937 -7.275 9.318 34 HB3 ASN 3 HB3 ASN 3 9.458 -7.991 8.698 35 HD21 ASN 3 HD21 ASN 3 9.400 -10.219 8.158 36 HD22 ASN 3 HD22 ASN 3 10.866 -11.150 7.969 37 H MET 4 H MET 4 10.217 -5.420 5.193 38 HA MET 4 HA MET 4 7.766 -4.169 6.377 39 HB2 MET 4 HB2 MET 4 9.749 -2.678 5.497 40 HB3 MET 4 HB3 MET 4 9.287 -3.284 3.921 41 HG2 MET 4 HG2 MET 4 7.936 -1.535 3.777 42 HG3 MET 4 HG3 MET 4 6.864 -2.376 4.853 43 HE1 MET 4 HE1 MET 4 9.879 0.875 6.027 44 HE2 MET 4 HE2 MET 4 9.867 -0.115 4.563 45 HE3 MET 4 HE3 MET 4 8.830 1.309 4.693 46 H LYS 5 H LYS 5 5.927 -4.181 5.030 47 HA LYS 5 HA LYS 5 6.005 -5.259 2.286 48 HB2 LYS 5 HB2 LYS 5 4.280 -6.310 4.557 49 HB3 LYS 5 HB3 LYS 5 3.634 -6.242 2.940 50 HG2 LYS 5 HG2 LYS 5 4.427 -8.219 2.504 51 HG3 LYS 5 HG3 LYS 5 6.073 -7.611 2.606 52 HD2 LYS 5 HD2 LYS 5 4.708 -8.320 5.219 53 HD3 LYS 5 HD3 LYS 5 5.059 -9.645 4.126 54 HE2 LYS 5 HE2 LYS 5 7.373 -8.931 3.932 55 HE3 LYS 5 HE3 LYS 5 7.112 -7.590 5.060 56 HZ1 LYS 5 HZ1 LYS 5 8.079 -9.819 5.912 57 HZ2 LYS 5 HZ2 LYS 5 6.565 -10.357 5.917 58 HZ3 LYS 5 HZ3 LYS 5 6.956 -9.055 6.842 59 H VAL 6 H VAL 6 4.683 -4.066 1.006 60 HA VAL 6 HA VAL 6 2.746 -2.234 2.273 61 HB VAL 6 HB VAL 6 4.664 -1.674 -0.025 62 HG11 VAL 6 HG11 VAL 6 3.740 0.517 -0.132 63 HG12 VAL 6 HG12 VAL 6 2.405 -0.610 -0.328 64 HG13 VAL 6 HG13 VAL 6 2.637 0.205 1.239 65 HG21 VAL 6 HG21 VAL 6 5.474 0.126 1.395 66 HG22 VAL 6 HG22 VAL 6 4.525 -0.513 2.762 67 HG23 VAL 6 HG23 VAL 6 5.852 -1.471 2.053 68 H ALA 7 H ALA 7 0.779 -2.269 1.226 69 HA ALA 7 HA ALA 7 0.518 -4.099 -1.132 70 HB1 ALA 7 HB1 ALA 7 -0.612 -4.869 0.854 71 HB2 ALA 7 HB2 ALA 7 -1.420 -3.306 1.073 72 HB3 ALA 7 HB3 ALA 7 -1.835 -4.333 -0.312 73 H ILE 8 H ILE 8 1.245 -2.347 -2.547 74 HA ILE 8 HA ILE 8 -0.003 0.252 -2.559 75 HB ILE 8 HB ILE 8 1.644 -1.114 -4.741 76 HG12 ILE 8 HG12 ILE 8 2.469 0.526 -2.324 77 HG13 ILE 8 HG13 ILE 8 2.919 -1.134 -2.692 78 HG21 ILE 8 HG21 ILE 8 0.362 0.936 -5.480 79 HG22 ILE 8 HG22 ILE 8 1.244 1.864 -4.246 80 HG23 ILE 8 HG23 ILE 8 2.100 1.102 -5.605 81 HD11 ILE 8 HD11 ILE 8 4.812 0.247 -3.132 82 HD12 ILE 8 HD12 ILE 8 4.167 -0.224 -4.724 83 HD13 ILE 8 HD13 ILE 8 3.873 1.406 -4.074 84 H SER 9 H SER 9 -1.986 0.773 -3.362 85 HA SER 9 HA SER 9 -3.602 -1.088 -4.848 86 HB2 SER 9 HB2 SER 9 -5.131 0.924 -4.922 87 HB3 SER 9 HB3 SER 9 -4.668 0.358 -3.327 88 HG SER 9 HG SER 9 -2.982 2.290 -4.360 89 H MET 10 H MET 10 -3.443 -1.500 -6.967 90 HA MET 10 HA MET 10 -2.249 0.504 -8.832 91 HB2 MET 10 HB2 MET 10 -1.946 -2.512 -8.580 92 HB3 MET 10 HB3 MET 10 -1.427 -1.604 -10.010 93 HG2 MET 10 HG2 MET 10 -0.394 -1.080 -7.198 94 HG3 MET 10 HG3 MET 10 0.390 -2.140 -8.363 95 HE1 MET 10 HE1 MET 10 1.753 0.167 -11.099 96 HE2 MET 10 HE2 MET 10 1.747 -1.457 -10.387 97 HE3 MET 10 HE3 MET 10 0.276 -0.798 -11.139 98 H ASP 11 H ASP 11 -2.957 0.372 -10.955 99 HA ASP 11 HA ASP 11 -5.780 -0.568 -11.382 100 HB2 ASP 11 HB2 ASP 11 -4.958 1.866 -11.591 101 HB3 ASP 11 HB3 ASP 11 -4.097 1.407 -13.004 102 H VAL 12 H VAL 12 -2.797 -0.150 -13.286 103 HA VAL 12 HA VAL 12 -2.939 -2.881 -14.244 104 HB VAL 12 HB VAL 12 -2.840 -0.605 -16.291 105 HG11 VAL 12 HG11 VAL 12 -2.901 -3.637 -16.681 106 HG12 VAL 12 HG12 VAL 12 -2.880 -2.414 -17.954 107 HG13 VAL 12 HG13 VAL 12 -1.473 -2.587 -16.899 108 HG21 VAL 12 HG21 VAL 12 -5.162 -0.874 -15.542 109 HG22 VAL 12 HG22 VAL 12 -4.950 -1.433 -17.189 110 HG23 VAL 12 HG23 VAL 12 -5.084 -2.622 -15.876 111 H ASP 13 H ASP 13 -1.171 -0.122 -15.659 112 HA ASP 13 HA ASP 13 1.221 -1.235 -14.475 113 HB2 ASP 13 HB2 ASP 13 0.894 1.004 -16.534 114 HB3 ASP 13 HB3 ASP 13 2.407 0.211 -16.122 115 H LYS 14 H LYS 14 -0.840 1.138 -13.498 116 HA LYS 14 HA LYS 14 1.280 2.779 -12.211 117 HB2 LYS 14 HB2 LYS 14 -0.090 4.798 -12.666 118 HB3 LYS 14 HB3 LYS 14 0.468 4.024 -14.123 119 HG2 LYS 14 HG2 LYS 14 -2.183 2.988 -13.385 120 HG3 LYS 14 HG3 LYS 14 -2.156 4.745 -13.266 121 HD2 LYS 14 HD2 LYS 14 -1.146 4.733 -15.644 122 HD3 LYS 14 HD3 LYS 14 -1.657 3.037 -15.730 123 HE2 LYS 14 HE2 LYS 14 -3.370 5.417 -14.948 124 HE3 LYS 14 HE3 LYS 14 -3.329 4.747 -16.599 125 HZ1 LYS 14 HZ1 LYS 14 -5.197 3.811 -15.605 126 HZ2 LYS 14 HZ2 LYS 14 -4.442 3.488 -14.184 127 HZ3 LYS 14 HZ3 LYS 14 -4.114 2.616 -15.576 128 H ILE 15 H ILE 15 0.464 4.060 -10.501 129 HA ILE 15 HA ILE 15 -1.021 2.640 -8.516 130 HB ILE 15 HB ILE 15 -0.295 5.592 -8.809 131 HG12 ILE 15 HG12 ILE 15 0.910 3.304 -7.165 132 HG13 ILE 15 HG13 ILE 15 1.595 4.011 -8.624 133 HG21 ILE 15 HG21 ILE 15 -1.528 4.130 -6.439 134 HG22 ILE 15 HG22 ILE 15 -0.808 5.760 -6.342 135 HG23 ILE 15 HG23 ILE 15 -2.217 5.477 -7.342 136 HD11 ILE 15 HD11 ILE 15 1.856 6.186 -7.475 137 HD12 ILE 15 HD12 ILE 15 1.337 5.411 -5.953 138 HD13 ILE 15 HD13 ILE 15 2.802 4.866 -6.772 139 H SER 16 H SER 16 -3.135 2.766 -7.894 140 HA SER 16 HA SER 16 -5.128 3.322 -9.913 141 HB2 SER 16 HB2 SER 16 -6.555 2.316 -8.310 142 HB3 SER 16 HB3 SER 16 -5.053 1.425 -8.240 143 HG SER 16 HG SER 16 -6.311 2.620 -6.254 144 H ASN 17 H ASN 17 -7.303 4.376 -8.871 145 HA ASN 17 HA ASN 17 -6.532 7.174 -8.282 146 HB2 ASN 17 HB2 ASN 17 -8.166 6.647 -10.066 147 HB3 ASN 17 HB3 ASN 17 -9.240 5.978 -8.838 148 HD21 ASN 17 HD21 ASN 17 -10.920 7.527 -8.668 149 HD22 ASN 17 HD22 ASN 17 -10.632 9.254 -8.498 150 H SER 18 H SER 18 -8.147 4.401 -6.701 151 HA SER 18 HA SER 18 -7.606 5.538 -4.104 152 HB2 SER 18 HB2 SER 18 -9.796 6.541 -4.436 153 HB3 SER 18 HB3 SER 18 -10.486 5.011 -4.940 154 HG SER 18 HG SER 18 -11.042 5.512 -2.833 155 H PHE 19 H PHE 19 -8.470 3.848 -2.505 156 HA PHE 19 HA PHE 19 -7.311 1.246 -2.941 157 HB2 PHE 19 HB2 PHE 19 -7.478 2.498 -0.764 158 HB3 PHE 19 HB3 PHE 19 -9.220 2.221 -0.791 159 HD1 PHE 19 HD2 PHE 19 -10.152 -0.110 -0.545 160 HD2 PHE 19 HD1 PHE 19 -5.989 0.840 0.122 161 HE1 PHE 19 HE2 PHE 19 -9.898 -2.160 0.805 162 HE2 PHE 19 HE1 PHE 19 -5.746 -1.219 1.471 163 HZ PHE 19 HZ PHE 19 -7.682 -2.727 1.808 164 H GLU 20 H GLU 20 -10.687 2.537 -3.069 165 HA GLU 20 HA GLU 20 -11.646 -0.183 -3.866 166 HB2 GLU 20 HB2 GLU 20 -13.157 2.359 -3.192 167 HB3 GLU 20 HB3 GLU 20 -13.889 0.884 -3.838 168 HG2 GLU 20 HG2 GLU 20 -12.414 -0.194 -1.796 169 HG3 GLU 20 HG3 GLU 20 -12.756 1.382 -1.131 170 H ASP 21 H ASP 21 -10.186 2.350 -5.376 171 HA ASP 21 HA ASP 21 -11.623 1.816 -7.926 172 HB2 ASP 21 HB2 ASP 21 -12.187 4.109 -7.013 173 HB3 ASP 21 HB3 ASP 21 -10.474 4.520 -7.117 174 H CYS 22 H CYS 22 -9.933 0.154 -7.182 175 HA CYS 22 HA CYS 22 -7.546 0.493 -8.802 176 HB2 CYS 22 HB2 CYS 22 -6.073 -0.531 -7.206 177 HB3 CYS 22 HB3 CYS 22 -6.892 0.739 -6.302 178 HG CYS 22 HG CYS 22 -6.446 -1.540 -4.888 179 H LYS 23 H LYS 23 -6.600 -1.781 -9.045 180 HA LYS 23 HA LYS 23 -8.793 -3.741 -9.629 181 HB2 LYS 23 HB2 LYS 23 -6.265 -2.922 -11.089 182 HB3 LYS 23 HB3 LYS 23 -7.104 -4.421 -11.447 183 HG2 LYS 23 HG2 LYS 23 -7.608 -2.546 -13.028 184 HG3 LYS 23 HG3 LYS 23 -8.971 -3.354 -12.329 185 HD2 LYS 23 HD2 LYS 23 -9.523 -1.507 -10.939 186 HD3 LYS 23 HD3 LYS 23 -7.989 -0.672 -11.347 187 HE2 LYS 23 HE2 LYS 23 -8.726 -0.595 -13.711 188 HE3 LYS 23 HE3 LYS 23 -10.244 -1.386 -13.256 189 HZ1 LYS 23 HZ1 LYS 23 -10.678 0.530 -11.794 190 HZ2 LYS 23 HZ2 LYS 23 -10.566 0.946 -13.373 191 HZ3 LYS 23 HZ3 LYS 23 -9.277 1.244 -12.384 192 H TYR 24 H TYR 24 -5.493 -3.157 -8.274 193 HA TYR 24 HA TYR 24 -5.778 -5.616 -6.816 194 HB2 TYR 24 HB2 TYR 24 -3.783 -6.719 -7.594 195 HB3 TYR 24 HB3 TYR 24 -4.838 -6.472 -8.948 196 HD1 TYR 24 HD2 TYR 24 -4.370 -4.713 -10.611 197 HD2 TYR 24 HD1 TYR 24 -1.551 -5.886 -7.605 198 HE1 TYR 24 HE2 TYR 24 -2.514 -3.773 -12.010 199 HE2 TYR 24 HE1 TYR 24 0.314 -5.019 -8.971 200 HH TYR 24 HH TYR 24 -0.236 -3.394 -12.146 201 H PHE 25 H PHE 25 -3.812 -6.012 -5.527 202 HA PHE 25 HA PHE 25 -2.481 -3.575 -4.549 203 HB2 PHE 25 HB2 PHE 25 -3.268 -6.019 -2.948 204 HB3 PHE 25 HB3 PHE 25 -2.485 -4.561 -2.358 205 HD1 PHE 25 HD1 PHE 25 -3.737 -2.316 -2.644 206 HD2 PHE 25 HD2 PHE 25 -5.609 -6.176 -2.989 207 HE1 PHE 25 HE1 PHE 25 -5.980 -1.270 -2.202 208 HE2 PHE 25 HE2 PHE 25 -7.846 -5.121 -2.599 209 HZ PHE 25 HZ PHE 25 -8.014 -2.671 -2.195 210 H LEU 26 H LEU 26 -0.462 -3.635 -5.067 211 HA LEU 26 HA LEU 26 1.058 -6.066 -5.703 212 HB2 LEU 26 HB2 LEU 26 0.921 -3.932 -7.057 213 HB3 LEU 26 HB3 LEU 26 1.782 -3.096 -5.784 214 HG LEU 26 HG LEU 26 3.816 -4.300 -6.282 215 HD11 LEU 26 HD11 LEU 26 3.819 -5.867 -8.365 216 HD12 LEU 26 HD12 LEU 26 2.085 -6.070 -8.042 217 HD13 LEU 26 HD13 LEU 26 3.272 -6.534 -6.838 218 HD21 LEU 26 HD21 LEU 26 3.084 -2.390 -7.770 219 HD22 LEU 26 HD22 LEU 26 2.390 -3.603 -8.884 220 HD23 LEU 26 HD23 LEU 26 4.134 -3.550 -8.598 221 H ILE 27 H ILE 27 1.867 -7.034 -3.930 222 HA ILE 27 HA ILE 27 2.343 -5.899 -1.296 223 HB ILE 27 HB ILE 27 2.943 -8.729 -2.276 224 HG12 ILE 27 HG12 ILE 27 0.593 -8.406 -2.761 225 HG13 ILE 27 HG13 ILE 27 0.722 -9.374 -1.314 226 HG21 ILE 27 HG21 ILE 27 2.425 -7.526 0.504 227 HG22 ILE 27 HG22 ILE 27 2.681 -9.259 0.160 228 HG23 ILE 27 HG23 ILE 27 3.972 -8.086 -0.116 229 HD11 ILE 27 HD11 ILE 27 0.111 -6.373 -1.311 230 HD12 ILE 27 HD12 ILE 27 -1.092 -7.627 -1.243 231 HD13 ILE 27 HD13 ILE 27 0.073 -7.470 0.090 232 H VAL 28 H VAL 28 3.959 -4.403 -1.998 233 HA VAL 28 HA VAL 28 6.557 -5.311 -3.014 234 HB VAL 28 HB VAL 28 5.934 -2.686 -1.621 235 HG11 VAL 28 HG11 VAL 28 7.871 -1.856 -2.860 236 HG12 VAL 28 HG12 VAL 28 8.369 -3.334 -2.020 237 HG13 VAL 28 HG13 VAL 28 8.016 -3.381 -3.755 238 HG21 VAL 28 HG21 VAL 28 4.365 -2.811 -3.457 239 HG22 VAL 28 HG22 VAL 28 5.708 -1.785 -3.980 240 HG23 VAL 28 HG23 VAL 28 5.604 -3.457 -4.559 241 H ARG 29 H ARG 29 7.449 -6.812 -1.651 242 HA ARG 29 HA ARG 29 7.637 -6.281 1.278 243 HB2 ARG 29 HB2 ARG 29 7.541 -8.648 0.502 244 HB3 ARG 29 HB3 ARG 29 9.025 -8.374 -0.417 245 HG2 ARG 29 HG2 ARG 29 10.202 -7.793 1.734 246 HG3 ARG 29 HG3 ARG 29 8.747 -8.275 2.612 247 HD2 ARG 29 HD2 ARG 29 10.311 -10.037 0.683 248 HD3 ARG 29 HD3 ARG 29 10.572 -10.009 2.430 249 HE ARG 29 HE ARG 29 7.870 -10.563 2.181 250 HH11 ARG 29 HH11 ARG 29 10.878 -12.069 0.966 251 HH12 ARG 29 HH12 ARG 29 10.128 -13.606 0.734 252 HH21 ARG 29 HH21 ARG 29 7.229 -12.706 2.608 253 HH22 ARG 29 HH22 ARG 29 8.351 -13.999 2.278 254 H ILE 30 H ILE 30 9.365 -5.166 2.142 255 HA ILE 30 HA ILE 30 11.826 -4.956 0.545 256 HB ILE 30 HB ILE 30 10.646 -2.845 2.438 257 HG12 ILE 30 HG12 ILE 30 11.402 -1.423 0.327 258 HG13 ILE 30 HG13 ILE 30 11.131 -2.950 -0.518 259 HG21 ILE 30 HG21 ILE 30 13.427 -3.105 1.351 260 HG22 ILE 30 HG22 ILE 30 12.786 -1.615 2.089 261 HG23 ILE 30 HG23 ILE 30 12.941 -3.069 3.061 262 HD11 ILE 30 HD11 ILE 30 9.198 -1.415 -0.561 263 HD12 ILE 30 HD12 ILE 30 8.776 -2.925 0.274 264 HD13 ILE 30 HD13 ILE 30 9.108 -1.454 1.209 265 H ASP 31 H ASP 31 13.442 -5.980 1.608 266 HA ASP 31 HA ASP 31 12.867 -6.758 4.431 267 HB2 ASP 31 HB2 ASP 31 12.397 -8.444 2.317 268 HB3 ASP 31 HB3 ASP 31 14.086 -8.823 2.622 269 H ASP 32 H ASP 32 14.871 -5.170 2.731 270 HA ASP 32 HA ASP 32 16.837 -4.683 4.495 271 HB2 ASP 32 HB2 ASP 32 17.805 -6.824 4.424 272 HB3 ASP 32 HB3 ASP 32 17.624 -6.970 2.673 273 H ASN 33 H ASN 33 15.658 -3.079 3.560 274 HA ASN 33 HA ASN 33 15.317 -1.185 2.477 275 HB2 ASN 33 HB2 ASN 33 17.952 -1.238 1.089 276 HB3 ASN 33 HB3 ASN 33 17.146 0.110 1.853 277 HD21 ASN 33 HD21 ASN 33 16.764 -0.511 4.451 278 HD22 ASN 33 HD22 ASN 33 18.038 -1.573 5.123 279 H GLU 34 H GLU 34 16.165 -3.702 0.311 280 HA GLU 34 HA GLU 34 15.206 -2.182 -2.045 281 HB2 GLU 34 HB2 GLU 34 16.606 -4.819 -1.560 282 HB3 GLU 34 HB3 GLU 34 16.214 -4.274 -3.194 283 HG2 GLU 34 HG2 GLU 34 17.992 -2.754 -1.279 284 HG3 GLU 34 HG3 GLU 34 18.563 -4.004 -2.404 285 H VAL 35 H VAL 35 14.135 -3.416 -3.586 286 HA VAL 35 HA VAL 35 11.634 -4.519 -2.555 287 HB VAL 35 HB VAL 35 11.548 -3.106 -4.472 288 HG11 VAL 35 HG11 VAL 35 12.947 -5.222 -6.162 289 HG12 VAL 35 HG12 VAL 35 12.321 -3.631 -6.675 290 HG13 VAL 35 HG13 VAL 35 13.708 -3.720 -5.598 291 HG21 VAL 35 HG21 VAL 35 10.699 -5.909 -5.304 292 HG22 VAL 35 HG22 VAL 35 9.825 -4.881 -4.145 293 HG23 VAL 35 HG23 VAL 35 10.002 -4.361 -5.827 294 H LYS 36 H LYS 36 11.316 -6.467 -1.920 295 HA LYS 36 HA LYS 36 13.083 -8.708 -2.796 296 HB2 LYS 36 HB2 LYS 36 12.489 -7.528 -0.145 297 HB3 LYS 36 HB3 LYS 36 12.212 -9.257 -0.192 298 HG2 LYS 36 HG2 LYS 36 14.451 -8.988 0.504 299 HG3 LYS 36 HG3 LYS 36 14.464 -9.633 -1.124 300 HD2 LYS 36 HD2 LYS 36 15.932 -8.080 -1.587 301 HD3 LYS 36 HD3 LYS 36 14.685 -6.888 -1.586 302 HE2 LYS 36 HE2 LYS 36 15.471 -5.920 0.303 303 HE3 LYS 36 HE3 LYS 36 15.778 -7.471 1.112 304 HZ1 LYS 36 HZ1 LYS 36 17.903 -7.587 0.179 305 HZ2 LYS 36 HZ2 LYS 36 17.748 -6.010 0.547 306 HZ3 LYS 36 HZ3 LYS 36 17.622 -6.487 -0.996 307 H SER 37 H SER 37 9.831 -7.764 -2.931 308 HA SER 37 HA SER 37 9.106 -10.100 -4.253 309 HB2 SER 37 HB2 SER 37 7.756 -9.765 -1.522 310 HB3 SER 37 HB3 SER 37 7.129 -10.760 -2.827 311 HG SER 37 HG SER 37 9.755 -11.252 -2.042 312 H THR 38 H THR 38 6.756 -9.790 -5.044 313 HA THR 38 HA THR 38 5.809 -6.996 -4.742 314 HB THR 38 HB THR 38 5.281 -7.355 -7.314 315 HG1 THR 38 HG1 THR 38 6.551 -8.645 -8.343 316 HG21 THR 38 HG21 THR 38 7.308 -6.127 -7.866 317 HG22 THR 38 HG22 THR 38 8.053 -6.590 -6.316 318 HG23 THR 38 HG23 THR 38 6.632 -5.522 -6.357 319 H LYS 39 H LYS 39 4.815 -10.309 -5.596 320 HA LYS 39 HA LYS 39 2.844 -11.125 -6.304 321 HB2 LYS 39 HB2 LYS 39 2.760 -10.234 -3.515 322 HB3 LYS 39 HB3 LYS 39 1.144 -10.391 -4.129 323 HG2 LYS 39 HG2 LYS 39 1.762 -12.310 -2.963 324 HG3 LYS 39 HG3 LYS 39 1.668 -12.770 -4.668 325 HD2 LYS 39 HD2 LYS 39 4.386 -11.937 -4.070 326 HD3 LYS 39 HD3 LYS 39 3.843 -12.965 -2.743 327 HE2 LYS 39 HE2 LYS 39 3.036 -14.660 -4.467 328 HE3 LYS 39 HE3 LYS 39 3.777 -13.683 -5.734 329 HZ1 LYS 39 HZ1 LYS 39 5.162 -15.537 -4.993 330 HZ2 LYS 39 HZ2 LYS 39 5.217 -14.949 -3.471 331 HZ3 LYS 39 HZ3 LYS 39 5.934 -14.121 -4.696 332 H VAL 40 H VAL 40 0.337 -11.041 -6.406 333 HA VAL 40 HA VAL 40 -0.670 -8.294 -6.799 334 HB VAL 40 HB VAL 40 -0.768 -10.518 -8.924 335 HG11 VAL 40 HG11 VAL 40 -3.002 -9.510 -8.733 336 HG12 VAL 40 HG12 VAL 40 -2.273 -7.896 -8.812 337 HG13 VAL 40 HG13 VAL 40 -2.227 -8.976 -10.219 338 HG21 VAL 40 HG21 VAL 40 1.234 -9.164 -9.204 339 HG22 VAL 40 HG22 VAL 40 0.090 -8.690 -10.443 340 HG23 VAL 40 HG23 VAL 40 0.330 -7.646 -9.019 341 H ILE 41 H ILE 41 -2.104 -8.366 -5.151 342 HA ILE 41 HA ILE 41 -3.975 -10.700 -4.916 343 HB ILE 41 HB ILE 41 -3.447 -8.297 -3.106 344 HG12 ILE 41 HG12 ILE 41 -2.765 -11.238 -2.713 345 HG13 ILE 41 HG13 ILE 41 -1.628 -9.887 -2.885 346 HG21 ILE 41 HG21 ILE 41 -5.306 -10.685 -2.703 347 HG22 ILE 41 HG22 ILE 41 -5.097 -9.320 -1.574 348 HG23 ILE 41 HG23 ILE 41 -5.833 -9.042 -3.141 349 HD11 ILE 41 HD11 ILE 41 -1.660 -10.253 -0.568 350 HD12 ILE 41 HD12 ILE 41 -2.807 -8.902 -0.772 351 HD13 ILE 41 HD13 ILE 41 -3.406 -10.553 -0.529 352 H PHE 42 H PHE 42 -5.842 -10.283 -6.285 353 HA PHE 42 HA PHE 42 -6.079 -7.656 -7.482 354 HB2 PHE 42 HB2 PHE 42 -8.065 -9.961 -7.369 355 HB3 PHE 42 HB3 PHE 42 -8.238 -8.512 -8.349 356 HD1 PHE 42 HD1 PHE 42 -6.208 -7.913 -9.955 357 HD2 PHE 42 HD2 PHE 42 -7.108 -11.835 -8.417 358 HE1 PHE 42 HE1 PHE 42 -4.801 -8.945 -11.734 359 HE2 PHE 42 HE2 PHE 42 -5.776 -12.848 -10.220 360 HZ PHE 42 HZ PHE 42 -4.598 -11.402 -11.882 361 H ASN 43 H ASN 43 -8.057 -6.400 -7.316 362 HA ASN 43 HA ASN 43 -8.820 -5.715 -4.571 363 HB2 ASN 43 HB2 ASN 43 -8.451 -3.939 -6.165 364 HB3 ASN 43 HB3 ASN 43 -9.629 -4.632 -7.299 365 HD21 ASN 43 HD21 ASN 43 -10.858 -2.543 -7.196 366 HD22 ASN 43 HD22 ASN 43 -12.047 -2.419 -5.922 367 H ASP 44 H ASP 44 -9.715 -7.837 -4.030 368 HA ASP 44 HA ASP 44 -12.559 -8.034 -4.837 369 HB2 ASP 44 HB2 ASP 44 -10.460 -10.212 -4.862 370 HB3 ASP 44 HB3 ASP 44 -12.066 -10.624 -4.337 371 H GLU 45 H GLU 45 -13.717 -9.304 -3.216 372 HA GLU 45 HA GLU 45 -13.515 -8.428 -0.581 373 HB2 GLU 45 HB2 GLU 45 -15.193 -10.007 -0.123 374 HB3 GLU 45 HB3 GLU 45 -15.474 -9.462 -1.777 375 HG2 GLU 45 HG2 GLU 45 -14.348 -11.614 -2.567 376 HG3 GLU 45 HG3 GLU 45 -14.335 -12.140 -0.874 377 H SER 46 H SER 46 -12.294 -11.378 -2.123 378 HA SER 46 HA SER 46 -11.334 -12.634 0.272 379 HB2 SER 46 HB2 SER 46 -11.950 -13.659 -2.044 380 HB3 SER 46 HB3 SER 46 -10.330 -13.184 -2.550 381 HG SER 46 HG SER 46 -11.210 -15.159 -0.882 382 H GLY 47 H GLY 47 -9.933 -10.578 -2.303 383 HA2 GLY 47 HA2 GLY 47 -7.234 -10.645 -1.574 384 HA3 GLY 47 HA3 GLY 47 -8.056 -9.294 -2.388 385 H LYS 48 H LYS 48 -9.722 -8.214 -0.685 386 HA LYS 48 HA LYS 48 -8.112 -6.798 1.192 387 HB2 LYS 48 HB2 LYS 48 -11.117 -7.097 0.801 388 HB3 LYS 48 HB3 LYS 48 -10.438 -5.974 1.994 389 HG2 LYS 48 HG2 LYS 48 -9.598 -4.530 0.379 390 HG3 LYS 48 HG3 LYS 48 -9.382 -5.805 -0.813 391 HD2 LYS 48 HD2 LYS 48 -11.042 -4.581 -1.733 392 HD3 LYS 48 HD3 LYS 48 -11.923 -5.924 -1.059 393 HE2 LYS 48 HE2 LYS 48 -12.959 -4.605 0.600 394 HE3 LYS 48 HE3 LYS 48 -11.670 -3.380 0.571 395 HZ1 LYS 48 HZ1 LYS 48 -12.392 -2.639 -1.535 396 HZ2 LYS 48 HZ2 LYS 48 -13.722 -2.587 -0.593 397 HZ3 LYS 48 HZ3 LYS 48 -13.498 -3.778 -1.724 398 H LYS 49 H LYS 49 -10.344 -9.592 1.640 399 HA LYS 49 HA LYS 49 -10.106 -9.744 4.452 400 HB2 LYS 49 HB2 LYS 49 -10.652 -11.733 2.235 401 HB3 LYS 49 HB3 LYS 49 -10.425 -12.312 3.872 402 HG2 LYS 49 HG2 LYS 49 -12.287 -11.105 4.712 403 HG3 LYS 49 HG3 LYS 49 -12.513 -10.210 3.203 404 HD2 LYS 49 HD2 LYS 49 -13.465 -12.020 2.079 405 HD3 LYS 49 HD3 LYS 49 -12.487 -13.199 2.955 406 HE2 LYS 49 HE2 LYS 49 -14.581 -13.625 3.778 407 HE3 LYS 49 HE3 LYS 49 -13.828 -12.634 5.043 408 HZ1 LYS 49 HZ1 LYS 49 -15.871 -11.862 3.071 409 HZ2 LYS 49 HZ2 LYS 49 -15.048 -10.720 3.892 410 HZ3 LYS 49 HZ3 LYS 49 -16.000 -11.829 4.695 411 H SER 50 H SER 50 -8.014 -11.080 1.856 412 HA SER 50 HA SER 50 -6.246 -12.548 3.505 413 HB2 SER 50 HB2 SER 50 -6.633 -12.316 0.825 414 HB3 SER 50 HB3 SER 50 -5.281 -11.204 0.970 415 HG SER 50 HG SER 50 -4.394 -13.212 2.261 416 H ILE 51 H ILE 51 -6.101 -9.152 2.277 417 HA ILE 51 HA ILE 51 -3.551 -8.448 3.094 418 HB ILE 51 HB ILE 51 -6.070 -6.737 3.177 419 HG12 ILE 51 HG12 ILE 51 -3.925 -6.998 1.021 420 HG13 ILE 51 HG13 ILE 51 -5.515 -7.710 0.928 421 HG21 ILE 51 HG21 ILE 51 -3.191 -5.807 3.013 422 HG22 ILE 51 HG22 ILE 51 -4.627 -4.779 3.089 423 HG23 ILE 51 HG23 ILE 51 -4.154 -5.719 4.496 424 HD11 ILE 51 HD11 ILE 51 -6.446 -5.308 1.173 425 HD12 ILE 51 HD12 ILE 51 -4.788 -4.779 0.792 426 HD13 ILE 51 HD13 ILE 51 -5.694 -5.790 -0.348 427 H VAL 52 H VAL 52 -6.500 -8.488 5.160 428 HA VAL 52 HA VAL 52 -5.209 -7.430 7.456 429 HB VAL 52 HB VAL 52 -7.645 -9.263 7.275 430 HG11 VAL 52 HG11 VAL 52 -8.371 -8.148 9.383 431 HG12 VAL 52 HG12 VAL 52 -6.917 -9.125 9.611 432 HG13 VAL 52 HG13 VAL 52 -6.783 -7.355 9.493 433 HG21 VAL 52 HG21 VAL 52 -8.844 -7.009 7.427 434 HG22 VAL 52 HG22 VAL 52 -7.277 -6.248 7.115 435 HG23 VAL 52 HG23 VAL 52 -8.016 -7.317 5.903 436 H LYS 53 H LYS 53 -5.166 -10.798 6.180 437 HA LYS 53 HA LYS 53 -4.043 -11.741 8.715 438 HB2 LYS 53 HB2 LYS 53 -4.186 -13.325 6.148 439 HB3 LYS 53 HB3 LYS 53 -4.113 -13.890 7.791 440 HG2 LYS 53 HG2 LYS 53 -6.451 -12.838 6.229 441 HG3 LYS 53 HG3 LYS 53 -6.261 -14.421 6.966 442 HD2 LYS 53 HD2 LYS 53 -6.824 -11.789 8.382 443 HD3 LYS 53 HD3 LYS 53 -7.955 -13.100 8.125 444 HE2 LYS 53 HE2 LYS 53 -5.431 -13.402 9.814 445 HE3 LYS 53 HE3 LYS 53 -6.979 -12.836 10.444 446 HZ1 LYS 53 HZ1 LYS 53 -6.356 -15.538 9.468 447 HZ2 LYS 53 HZ2 LYS 53 -7.913 -15.013 9.544 448 HZ3 LYS 53 HZ3 LYS 53 -6.997 -15.045 10.881 449 H GLU 54 H GLU 54 -3.038 -10.432 5.634 450 HA GLU 54 HA GLU 54 -0.422 -11.629 5.485 451 HB2 GLU 54 HB2 GLU 54 -1.999 -10.366 3.701 452 HB3 GLU 54 HB3 GLU 54 -1.108 -8.961 4.246 453 HG2 GLU 54 HG2 GLU 54 0.039 -11.509 3.013 454 HG3 GLU 54 HG3 GLU 54 -0.209 -9.976 2.175 455 H ASN 55 H ASN 55 1.580 -10.355 5.781 456 HA ASN 55 HA ASN 55 1.550 -8.977 8.369 457 HB2 ASN 55 HB2 ASN 55 3.729 -10.047 6.535 458 HB3 ASN 55 HB3 ASN 55 4.063 -9.176 8.032 459 HD21 ASN 55 HD21 ASN 55 4.414 -10.467 9.846 460 HD22 ASN 55 HD22 ASN 55 3.667 -12.018 10.066 461 H VAL 56 H VAL 56 0.397 -7.496 5.894 462 HA VAL 56 HA VAL 56 2.350 -5.741 4.952 463 HB VAL 56 HB VAL 56 -0.362 -4.564 5.364 464 HG11 VAL 56 HG11 VAL 56 1.482 -3.329 4.283 465 HG12 VAL 56 HG12 VAL 56 1.569 -4.563 3.014 466 HG13 VAL 56 HG13 VAL 56 0.118 -3.557 3.200 467 HG21 VAL 56 HG21 VAL 56 0.246 -6.729 3.292 468 HG22 VAL 56 HG22 VAL 56 -1.101 -6.687 4.480 469 HG23 VAL 56 HG23 VAL 56 -1.051 -5.520 3.140 470 H ASN 57 H ASN 57 3.250 -3.925 5.640 471 HA ASN 57 HA ASN 57 3.112 -3.130 8.484 472 HB2 ASN 57 HB2 ASN 57 5.143 -3.311 6.558 473 HB3 ASN 57 HB3 ASN 57 4.808 -1.582 6.611 474 HD21 ASN 57 HD21 ASN 57 5.629 -0.454 8.412 475 HD22 ASN 57 HD22 ASN 57 6.601 -1.343 9.591 476 H ALA 58 H ALA 58 2.396 -1.888 5.188 477 HA ALA 58 HA ALA 58 0.808 0.273 6.289 478 HB1 ALA 58 HB1 ALA 58 3.160 1.094 6.515 479 HB2 ALA 58 HB2 ALA 58 3.406 0.817 4.771 480 HB3 ALA 58 HB3 ALA 58 2.231 2.023 5.340 481 H ILE 59 H ILE 59 -0.263 1.480 4.513 482 HA ILE 59 HA ILE 59 -0.232 0.048 1.879 483 HB ILE 59 HB ILE 59 -2.434 1.773 3.112 484 HG12 ILE 59 HG12 ILE 59 -2.618 -1.203 2.569 485 HG13 ILE 59 HG13 ILE 59 -1.935 -0.660 4.081 486 HG21 ILE 59 HG21 ILE 59 -2.166 0.210 0.484 487 HG22 ILE 59 HG22 ILE 59 -3.733 0.670 1.144 488 HG23 ILE 59 HG23 ILE 59 -2.580 1.924 0.715 489 HD11 ILE 59 HD11 ILE 59 -4.272 -1.165 4.391 490 HD12 ILE 59 HD12 ILE 59 -3.954 0.545 4.680 491 HD13 ILE 59 HD13 ILE 59 -4.735 0.042 3.171 492 H ILE 60 H ILE 60 0.212 1.445 0.042 493 HA ILE 60 HA ILE 60 0.528 4.368 0.423 494 HB ILE 60 HB ILE 60 1.702 2.412 -1.621 495 HG12 ILE 60 HG12 ILE 60 2.980 4.183 0.474 496 HG13 ILE 60 HG13 ILE 60 2.861 2.448 0.508 497 HG21 ILE 60 HG21 ILE 60 1.074 4.611 -2.711 498 HG22 ILE 60 HG22 ILE 60 2.286 5.353 -1.619 499 HG23 ILE 60 HG23 ILE 60 2.782 4.152 -2.812 500 HD11 ILE 60 HD11 ILE 60 5.086 2.880 -0.136 501 HD12 ILE 60 HD12 ILE 60 4.282 2.377 -1.616 502 HD13 ILE 60 HD13 ILE 60 4.627 4.110 -1.315 503 H CYS 61 H CYS 61 -1.254 5.455 -0.497 504 HA CYS 61 HA CYS 61 -2.603 4.382 -2.782 505 HB2 CYS 61 HB2 CYS 61 -4.871 4.512 -1.879 506 HB3 CYS 61 HB3 CYS 61 -3.954 3.240 -1.090 507 HG CYS 61 HG CYS 61 -3.743 6.271 0.132 508 H LYS 62 H LYS 62 -3.794 5.997 -3.869 509 HA LYS 62 HA LYS 62 -3.221 8.812 -3.188 510 HB2 LYS 62 HB2 LYS 62 -5.193 7.581 -5.148 511 HB3 LYS 62 HB3 LYS 62 -4.867 9.309 -4.957 512 HG2 LYS 62 HG2 LYS 62 -2.439 8.782 -5.570 513 HG3 LYS 62 HG3 LYS 62 -2.993 7.149 -6.005 514 HD2 LYS 62 HD2 LYS 62 -4.709 8.279 -7.514 515 HD3 LYS 62 HD3 LYS 62 -3.916 9.813 -7.155 516 HE2 LYS 62 HE2 LYS 62 -2.586 7.420 -8.505 517 HE3 LYS 62 HE3 LYS 62 -3.287 8.812 -9.335 518 HZ1 LYS 62 HZ1 LYS 62 -1.195 9.484 -9.219 519 HZ2 LYS 62 HZ2 LYS 62 -0.797 8.736 -7.805 520 HZ3 LYS 62 HZ3 LYS 62 -1.660 10.117 -7.781 521 H ASN 63 H ASN 63 -5.977 6.477 -2.907 522 HA ASN 63 HA ASN 63 -7.183 8.191 -0.841 523 HB2 ASN 63 HB2 ASN 63 -8.239 7.858 -3.642 524 HB3 ASN 63 HB3 ASN 63 -9.418 7.877 -2.358 525 HD21 ASN 63 HD21 ASN 63 -8.415 9.911 -4.570 526 HD22 ASN 63 HD22 ASN 63 -8.038 11.370 -3.675 527 H ILE 64 H ILE 64 -9.239 7.084 -0.022 528 HA ILE 64 HA ILE 64 -9.356 4.237 -0.305 529 HB ILE 64 HB ILE 64 -7.454 4.055 1.056 530 HG12 ILE 64 HG12 ILE 64 -9.704 3.981 3.089 531 HG13 ILE 64 HG13 ILE 64 -9.481 2.772 1.824 532 HG21 ILE 64 HG21 ILE 64 -8.448 6.253 2.904 533 HG22 ILE 64 HG22 ILE 64 -6.948 5.315 3.088 534 HG23 ILE 64 HG23 ILE 64 -7.133 6.394 1.728 535 HD11 ILE 64 HD11 ILE 64 -7.388 2.051 2.770 536 HD12 ILE 64 HD12 ILE 64 -7.421 3.357 4.006 537 HD13 ILE 64 HD13 ILE 64 -8.606 2.045 4.016 538 H SER 65 H SER 65 -11.507 3.847 -0.156 539 HA SER 65 HA SER 65 -13.414 5.705 0.662 540 HB2 SER 65 HB2 SER 65 -13.588 2.668 0.754 541 HB3 SER 65 HB3 SER 65 -14.940 3.791 0.814 542 HG SER 65 HG SER 65 -14.688 3.073 -1.273 543 H GLU 66 H GLU 66 -14.363 6.232 2.549 544 HA GLU 66 HA GLU 66 -13.062 6.153 4.956 545 HB2 GLU 66 HB2 GLU 66 -14.709 7.725 4.406 546 HB3 GLU 66 HB3 GLU 66 -15.974 6.507 4.211 547 HG2 GLU 66 HG2 GLU 66 -16.018 6.081 6.582 548 HG3 GLU 66 HG3 GLU 66 -14.606 7.089 6.849 549 H GLU 67 H GLU 67 -15.694 3.883 3.979 550 HA GLU 67 HA GLU 67 -15.767 2.412 6.394 551 HB2 GLU 67 HB2 GLU 67 -17.059 2.401 3.900 552 HB3 GLU 67 HB3 GLU 67 -16.287 0.838 3.945 553 HG2 GLU 67 HG2 GLU 67 -17.306 0.417 6.209 554 HG3 GLU 67 HG3 GLU 67 -18.195 1.953 6.057 555 H ASN 68 H ASN 68 -13.499 2.310 3.828 556 HA ASN 68 HA ASN 68 -12.173 -0.196 4.825 557 HB2 ASN 68 HB2 ASN 68 -11.476 1.646 2.513 558 HB3 ASN 68 HB3 ASN 68 -10.350 0.468 3.133 559 HD21 ASN 68 HD21 ASN 68 -12.593 0.895 0.746 560 HD22 ASN 68 HD22 ASN 68 -13.171 -0.708 0.526 561 H TYR 69 H TYR 69 -11.713 3.380 4.772 562 HA TYR 69 HA TYR 69 -9.091 3.378 5.806 563 HB2 TYR 69 HB2 TYR 69 -10.133 5.393 4.855 564 HB3 TYR 69 HB3 TYR 69 -11.226 5.510 6.244 565 HD1 TYR 69 HD1 TYR 69 -7.683 5.681 5.152 566 HD2 TYR 69 HD2 TYR 69 -10.375 6.230 8.466 567 HE1 TYR 69 HE1 TYR 69 -5.862 6.685 6.432 568 HE2 TYR 69 HE2 TYR 69 -8.549 7.250 9.774 569 HH TYR 69 HH TYR 69 -6.248 7.866 9.809 570 H LYS 70 H LYS 70 -12.137 3.837 7.678 571 HA LYS 70 HA LYS 70 -10.874 3.887 10.235 572 HB2 LYS 70 HB2 LYS 70 -13.652 2.902 9.472 573 HB3 LYS 70 HB3 LYS 70 -13.132 3.309 11.113 574 HG2 LYS 70 HG2 LYS 70 -12.806 5.684 10.364 575 HG3 LYS 70 HG3 LYS 70 -13.428 5.224 8.766 576 HD2 LYS 70 HD2 LYS 70 -15.441 4.215 10.216 577 HD3 LYS 70 HD3 LYS 70 -14.870 5.370 11.427 578 HE2 LYS 70 HE2 LYS 70 -15.753 5.947 8.569 579 HE3 LYS 70 HE3 LYS 70 -16.728 6.241 10.003 580 HZ1 LYS 70 HZ1 LYS 70 -15.235 7.955 10.659 581 HZ2 LYS 70 HZ2 LYS 70 -15.565 8.201 9.072 582 HZ3 LYS 70 HZ3 LYS 70 -14.119 7.562 9.514 583 H LYS 71 H LYS 71 -11.558 1.233 8.115 584 HA LYS 71 HA LYS 71 -11.550 -0.805 10.159 585 HB2 LYS 71 HB2 LYS 71 -12.929 -0.754 8.054 586 HB3 LYS 71 HB3 LYS 71 -11.452 -1.089 7.128 587 HG2 LYS 71 HG2 LYS 71 -11.124 -3.157 8.312 588 HG3 LYS 71 HG3 LYS 71 -12.474 -2.798 9.413 589 HD2 LYS 71 HD2 LYS 71 -13.958 -2.709 7.323 590 HD3 LYS 71 HD3 LYS 71 -12.608 -3.467 6.458 591 HE2 LYS 71 HE2 LYS 71 -14.067 -4.507 8.925 592 HE3 LYS 71 HE3 LYS 71 -14.244 -5.128 7.284 593 HZ1 LYS 71 HZ1 LYS 71 -11.812 -5.300 8.967 594 HZ2 LYS 71 HZ2 LYS 71 -11.881 -5.732 7.382 595 HZ3 LYS 71 HZ3 LYS 71 -12.809 -6.534 8.480 596 H PHE 72 H PHE 72 -9.351 0.216 7.502 597 HA PHE 72 HA PHE 72 -7.370 -1.778 8.266 598 HB2 PHE 72 HB2 PHE 72 -7.561 0.302 6.089 599 HB3 PHE 72 HB3 PHE 72 -6.032 -0.489 6.444 600 HD1 PHE 72 HD1 PHE 72 -9.514 -1.114 5.212 601 HD2 PHE 72 HD2 PHE 72 -5.641 -2.835 5.993 602 HE1 PHE 72 HE1 PHE 72 -10.181 -3.116 3.978 603 HE2 PHE 72 HE2 PHE 72 -6.332 -4.892 4.811 604 HZ PHE 72 HZ PHE 72 -8.592 -5.033 3.745 605 H SER 73 H SER 73 -7.909 1.652 9.083 606 HA SER 73 HA SER 73 -5.296 2.303 9.883 607 HB2 SER 73 HB2 SER 73 -6.429 4.029 11.248 608 HB3 SER 73 HB3 SER 73 -7.046 3.955 9.590 609 HG SER 73 HG SER 73 -8.676 4.095 11.242 610 H LYS 74 H LYS 74 -7.237 -0.121 11.209 611 HA LYS 74 HA LYS 74 -6.937 -0.027 13.920 612 HB2 LYS 74 HB2 LYS 74 -7.185 -2.402 13.960 613 HB3 LYS 74 HB3 LYS 74 -8.212 -1.731 12.717 614 HG2 LYS 74 HG2 LYS 74 -7.364 -3.170 11.209 615 HG3 LYS 74 HG3 LYS 74 -5.780 -2.449 11.384 616 HD2 LYS 74 HD2 LYS 74 -5.626 -4.038 13.516 617 HD3 LYS 74 HD3 LYS 74 -6.929 -4.912 12.716 618 HE2 LYS 74 HE2 LYS 74 -5.497 -5.179 10.683 619 HE3 LYS 74 HE3 LYS 74 -4.235 -4.207 11.454 620 HZ1 LYS 74 HZ1 LYS 74 -4.251 -6.011 13.241 621 HZ2 LYS 74 HZ2 LYS 74 -3.565 -6.405 11.819 622 HZ3 LYS 74 HZ3 LYS 74 -5.044 -6.955 12.171 623 H LYS 75 H LYS 75 -4.315 -0.904 11.688 624 HA LYS 75 HA LYS 75 -2.290 -0.680 13.778 625 HB2 LYS 75 HB2 LYS 75 -3.594 -3.242 13.343 626 HB3 LYS 75 HB3 LYS 75 -1.959 -3.387 12.806 627 HG2 LYS 75 HG2 LYS 75 -2.837 -2.446 15.581 628 HG3 LYS 75 HG3 LYS 75 -2.403 -4.090 15.132 629 HD2 LYS 75 HD2 LYS 75 -0.091 -3.115 14.445 630 HD3 LYS 75 HD3 LYS 75 -0.579 -1.681 15.379 631 HE2 LYS 75 HE2 LYS 75 -1.052 -3.168 17.352 632 HE3 LYS 75 HE3 LYS 75 -0.568 -4.568 16.390 633 HZ1 LYS 75 HZ1 LYS 75 1.642 -3.380 16.183 634 HZ2 LYS 75 HZ2 LYS 75 1.271 -4.113 17.579 635 HZ3 LYS 75 HZ3 LYS 75 1.151 -2.463 17.474 636 H ILE 76 H ILE 76 -3.091 -0.158 10.692 637 HA ILE 76 HA ILE 76 -0.465 -0.860 9.487 638 HB ILE 76 HB ILE 76 -3.247 -0.921 8.221 639 HG12 ILE 76 HG12 ILE 76 -1.315 -3.253 8.473 640 HG13 ILE 76 HG13 ILE 76 -2.605 -2.968 9.657 641 HG21 ILE 76 HG21 ILE 76 -0.567 -1.538 6.934 642 HG22 ILE 76 HG22 ILE 76 -2.157 -1.599 6.148 643 HG23 ILE 76 HG23 ILE 76 -1.514 -0.053 6.668 644 HD11 ILE 76 HD11 ILE 76 -4.290 -3.115 7.840 645 HD12 ILE 76 HD12 ILE 76 -2.998 -3.538 6.699 646 HD13 ILE 76 HD13 ILE 76 -3.356 -4.610 8.057 647 H GLU 77 H GLU 77 0.522 0.968 8.803 648 HA GLU 77 HA GLU 77 -0.805 3.561 9.119 649 HB2 GLU 77 HB2 GLU 77 1.874 2.685 8.014 650 HB3 GLU 77 HB3 GLU 77 1.342 4.392 8.088 651 HG2 GLU 77 HG2 GLU 77 1.103 4.209 10.519 652 HG3 GLU 77 HG3 GLU 77 1.629 2.521 10.447 653 H ILE 78 H ILE 78 -1.815 4.650 7.491 654 HA ILE 78 HA ILE 78 -1.519 3.677 4.690 655 HB ILE 78 HB ILE 78 -3.620 5.482 5.962 656 HG12 ILE 78 HG12 ILE 78 -4.725 3.040 5.060 657 HG13 ILE 78 HG13 ILE 78 -3.289 2.518 5.863 658 HG21 ILE 78 HG21 ILE 78 -3.287 5.899 3.552 659 HG22 ILE 78 HG22 ILE 78 -3.427 4.172 3.202 660 HG23 ILE 78 HG23 ILE 78 -4.823 5.080 3.830 661 HD11 ILE 78 HD11 ILE 78 -4.042 3.782 7.913 662 HD12 ILE 78 HD12 ILE 78 -5.557 4.175 7.050 663 HD13 ILE 78 HD13 ILE 78 -5.143 2.489 7.405 664 H TYR 79 H TYR 79 -0.470 4.916 3.191 665 HA TYR 79 HA TYR 79 0.404 7.633 4.002 666 HB2 TYR 79 HB2 TYR 79 1.885 5.546 2.350 667 HB3 TYR 79 HB3 TYR 79 2.343 7.229 2.567 668 HD1 TYR 79 HD1 TYR 79 1.726 4.208 4.792 669 HD2 TYR 79 HD2 TYR 79 3.689 7.998 4.215 670 HE1 TYR 79 HE1 TYR 79 3.227 3.753 6.725 671 HE2 TYR 79 HE2 TYR 79 5.082 7.604 6.197 672 HH TYR 79 HH TYR 79 4.686 4.697 8.284 673 H HIS 80 H HIS 80 0.604 9.176 2.344 674 HA HIS 80 HA HIS 80 -1.439 8.856 0.256 675 HB2 HIS 80 HB2 HIS 80 -1.353 10.813 2.063 676 HB3 HIS 80 HB3 HIS 80 -0.081 11.464 1.053 677 HD1 HIS 80 HD1 HIS 80 -1.566 13.546 0.242 678 HD2 HIS 80 HD2 HIS 80 -3.106 9.723 -0.639 679 HE1 HIS 80 HE1 HIS 80 -3.554 13.838 -1.451 680 H ALA 81 H ALA 81 -0.851 8.790 -1.844 681 HA ALA 81 HA ALA 81 1.823 8.833 -2.663 682 HB1 ALA 81 HB1 ALA 81 -0.722 9.129 -4.306 683 HB2 ALA 81 HB2 ALA 81 0.874 8.762 -4.982 684 HB3 ALA 81 HB3 ALA 81 0.084 7.599 -3.913 685 H GLU 82 H GLU 82 2.955 10.271 -4.070 686 HA GLU 82 HA GLU 82 1.939 13.005 -4.533 687 HB2 GLU 82 HB2 GLU 82 4.636 11.927 -3.631 688 HB3 GLU 82 HB3 GLU 82 4.522 13.462 -4.364 689 HG2 GLU 82 HG2 GLU 82 3.092 12.604 -1.813 690 HG3 GLU 82 HG3 GLU 82 4.583 13.497 -1.896 691 H GLY 83 H GLY 83 1.631 10.522 -6.198 692 HA2 GLY 83 HA2 GLY 83 2.333 11.518 -8.664 693 HA3 GLY 83 HA3 GLY 83 3.677 10.461 -8.209 694 H ASP 84 H ASP 84 2.138 9.947 -10.418 695 HA ASP 84 HA ASP 84 0.559 7.499 -9.828 696 HB2 ASP 84 HB2 ASP 84 1.540 8.721 -12.442 697 HB3 ASP 84 HB3 ASP 84 0.437 7.356 -12.287 698 H ASP 85 H ASP 85 3.736 8.608 -10.522 699 HA ASP 85 HA ASP 85 4.903 6.283 -11.677 700 HB2 ASP 85 HB2 ASP 85 5.776 8.768 -11.543 701 HB3 ASP 85 HB3 ASP 85 6.303 8.374 -10.011 702 H VAL 86 H VAL 86 4.553 4.461 -10.576 703 HA VAL 86 HA VAL 86 4.596 3.932 -7.821 704 HB VAL 86 HB VAL 86 5.522 2.277 -10.211 705 HG11 VAL 86 HG11 VAL 86 5.196 0.282 -8.701 706 HG12 VAL 86 HG12 VAL 86 6.575 1.294 -8.274 707 HG13 VAL 86 HG13 VAL 86 5.082 1.406 -7.311 708 HG21 VAL 86 HG21 VAL 86 3.386 1.175 -10.039 709 HG22 VAL 86 HG22 VAL 86 2.941 2.130 -8.609 710 HG23 VAL 86 HG23 VAL 86 3.107 2.906 -10.210 711 H ASP 87 H ASP 87 7.389 4.304 -10.104 712 HA ASP 87 HA ASP 87 9.265 3.286 -8.171 713 HB2 ASP 87 HB2 ASP 87 9.482 4.618 -10.842 714 HB3 ASP 87 HB3 ASP 87 10.868 4.794 -9.770 715 H LYS 88 H LYS 88 8.189 6.608 -9.144 716 HA LYS 88 HA LYS 88 9.860 8.059 -7.345 717 HB2 LYS 88 HB2 LYS 88 8.384 8.991 -9.147 718 HB3 LYS 88 HB3 LYS 88 6.989 8.606 -8.135 719 HG2 LYS 88 HG2 LYS 88 9.092 10.241 -6.812 720 HG3 LYS 88 HG3 LYS 88 8.207 11.011 -8.153 721 HD2 LYS 88 HD2 LYS 88 6.043 10.270 -6.943 722 HD3 LYS 88 HD3 LYS 88 7.105 9.787 -5.613 723 HE2 LYS 88 HE2 LYS 88 6.364 12.024 -5.104 724 HE3 LYS 88 HE3 LYS 88 8.040 12.150 -5.633 725 HZ1 LYS 88 HZ1 LYS 88 7.102 12.771 -7.872 726 HZ2 LYS 88 HZ2 LYS 88 6.874 13.832 -6.636 727 HZ3 LYS 88 HZ3 LYS 88 5.621 12.888 -7.124 728 H ASN 89 H ASN 89 6.757 6.388 -6.806 729 HA ASN 89 HA ASN 89 6.456 7.548 -4.183 730 HB2 ASN 89 HB2 ASN 89 5.068 5.296 -5.749 731 HB3 ASN 89 HB3 ASN 89 4.785 5.465 -4.024 732 HD21 ASN 89 HD21 ASN 89 4.674 7.517 -7.014 733 HD22 ASN 89 HD22 ASN 89 3.447 8.591 -6.351 734 H ILE 90 H ILE 90 7.740 4.438 -5.366 735 HA ILE 90 HA ILE 90 7.780 3.178 -2.759 736 HB ILE 90 HB ILE 90 9.216 2.512 -5.370 737 HG12 ILE 90 HG12 ILE 90 6.845 1.183 -3.949 738 HG13 ILE 90 HG13 ILE 90 6.721 2.210 -5.350 739 HG21 ILE 90 HG21 ILE 90 9.126 0.851 -2.797 740 HG22 ILE 90 HG22 ILE 90 9.855 0.352 -4.348 741 HG23 ILE 90 HG23 ILE 90 10.566 1.669 -3.460 742 HD11 ILE 90 HD11 ILE 90 6.568 -0.071 -6.073 743 HD12 ILE 90 HD12 ILE 90 8.133 0.563 -6.632 744 HD13 ILE 90 HD13 ILE 90 8.037 -0.534 -5.228 745 H SER 91 H SER 91 10.127 5.171 -4.689 746 HA SER 91 HA SER 91 12.276 4.506 -2.927 747 HB2 SER 91 HB2 SER 91 13.487 6.224 -4.123 748 HB3 SER 91 HB3 SER 91 12.602 5.179 -5.238 749 HG SER 91 HG SER 91 11.908 7.045 -5.976 750 H LEU 92 H LEU 92 9.762 7.066 -2.944 751 HA LEU 92 HA LEU 92 11.008 8.674 -0.878 752 HB2 LEU 92 HB2 LEU 92 8.191 8.312 -1.939 753 HB3 LEU 92 HB3 LEU 92 8.513 9.417 -0.624 754 HG LEU 92 HG LEU 92 9.927 9.627 -3.303 755 HD11 LEU 92 HD11 LEU 92 7.443 9.844 -3.502 756 HD12 LEU 92 HD12 LEU 92 8.339 11.361 -3.835 757 HD13 LEU 92 HD13 LEU 92 7.483 11.174 -2.310 758 HD21 LEU 92 HD21 LEU 92 10.989 10.820 -1.318 759 HD22 LEU 92 HD22 LEU 92 9.487 11.731 -1.149 760 HD23 LEU 92 HD23 LEU 92 10.468 11.882 -2.621 761 H PHE 93 H PHE 93 8.698 5.986 -0.898 762 HA PHE 93 HA PHE 93 7.870 6.137 1.777 763 HB2 PHE 93 HB2 PHE 93 6.626 4.875 0.207 764 HB3 PHE 93 HB3 PHE 93 8.010 3.901 -0.259 765 HD1 PHE 93 HD1 PHE 93 5.783 4.651 2.674 766 HD2 PHE 93 HD2 PHE 93 8.482 1.859 0.783 767 HE1 PHE 93 HE1 PHE 93 5.204 2.939 4.371 768 HE2 PHE 93 HE2 PHE 93 7.915 0.169 2.480 769 HZ PHE 93 HZ PHE 93 6.202 0.671 4.228 770 H ILE 94 H ILE 94 10.593 4.252 0.369 771 HA ILE 94 HA ILE 94 11.555 2.931 2.620 772 HB ILE 94 HB ILE 94 13.256 4.247 0.466 773 HG12 ILE 94 HG12 ILE 94 12.420 1.316 0.432 774 HG13 ILE 94 HG13 ILE 94 11.410 2.536 -0.299 775 HG21 ILE 94 HG21 ILE 94 13.880 1.942 2.399 776 HG22 ILE 94 HG22 ILE 94 14.890 2.348 1.008 777 HG23 ILE 94 HG23 ILE 94 14.676 3.527 2.286 778 HD11 ILE 94 HD11 ILE 94 13.523 3.292 -1.611 779 HD12 ILE 94 HD12 ILE 94 14.204 1.728 -1.116 780 HD13 ILE 94 HD13 ILE 94 12.723 1.785 -2.088 781 H GLU 95 H GLU 95 12.386 6.338 1.630 782 HA GLU 95 HA GLU 95 13.929 6.746 4.060 783 HB2 GLU 95 HB2 GLU 95 12.934 8.587 1.846 784 HB3 GLU 95 HB3 GLU 95 13.742 9.184 3.291 785 HG2 GLU 95 HG2 GLU 95 15.433 7.094 2.420 786 HG3 GLU 95 HG3 GLU 95 14.910 7.890 0.938 787 H GLY 96 H GLY 96 10.518 7.096 3.249 788 HA2 GLY 96 HA2 GLY 96 8.975 7.016 5.082 789 HA3 GLY 96 HA3 GLY 96 10.048 8.010 6.042 790 H GLU 97 H GLU 97 10.185 9.439 3.067 791 HA GLU 97 HA GLU 97 9.239 11.805 3.969 792 HB2 GLU 97 HB2 GLU 97 10.716 10.818 1.882 793 HB3 GLU 97 HB3 GLU 97 9.284 11.278 1.000 794 HG2 GLU 97 HG2 GLU 97 10.568 13.254 2.910 795 HG3 GLU 97 HG3 GLU 97 11.358 12.844 1.416 796 H LEU 98 H LEU 98 7.217 9.300 2.716 797 HA LEU 98 HA LEU 98 5.230 11.087 1.460 798 HB2 LEU 98 HB2 LEU 98 5.038 8.162 2.302 799 HB3 LEU 98 HB3 LEU 98 3.874 9.012 1.322 800 HG LEU 98 HG LEU 98 6.760 8.413 0.533 801 HD11 LEU 98 HD11 LEU 98 5.980 6.854 -0.942 802 HD12 LEU 98 HD12 LEU 98 4.345 7.465 -0.984 803 HD13 LEU 98 HD13 LEU 98 4.946 6.553 0.444 804 HD21 LEU 98 HD21 LEU 98 4.598 9.985 -0.962 805 HD22 LEU 98 HD22 LEU 98 6.123 9.356 -1.659 806 HD23 LEU 98 HD23 LEU 98 6.171 10.583 -0.418 807 H SER 99 H SER 99 3.375 11.870 2.307 808 HA SER 99 HA SER 99 3.039 12.243 5.152 809 HB2 SER 99 HB2 SER 99 1.369 12.442 2.602 810 HB3 SER 99 HB3 SER 99 0.540 12.486 4.164 811 HG SER 99 HG SER 99 2.625 14.281 3.436 812 H LYS 100 H LYS 100 2.151 10.922 6.608 813 HA LYS 100 HA LYS 100 0.740 8.476 5.778 814 HB2 LYS 100 HB2 LYS 100 0.984 9.863 8.465 815 HB3 LYS 100 HB3 LYS 100 -0.038 8.437 8.138 816 HG2 LYS 100 HG2 LYS 100 1.890 7.215 7.280 817 HG3 LYS 100 HG3 LYS 100 2.949 8.584 7.549 818 HD2 LYS 100 HD2 LYS 100 3.066 6.688 9.187 819 HD3 LYS 100 HD3 LYS 100 3.045 8.318 9.796 820 HE2 LYS 100 HE2 LYS 100 0.446 6.796 9.694 821 HE3 LYS 100 HE3 LYS 100 1.653 6.372 10.923 822 HZ1 LYS 100 HZ1 LYS 100 0.476 9.059 10.577 823 HZ2 LYS 100 HZ2 LYS 100 1.628 8.671 11.676 824 HZ3 LYS 100 HZ3 LYS 100 0.144 8.001 11.779 825 H ILE 101 H ILE 101 -1.391 8.449 5.309 826 HA ILE 101 HA ILE 101 -3.012 10.888 5.106 827 HB ILE 101 HB ILE 101 -3.648 7.906 4.882 828 HG12 ILE 101 HG12 ILE 101 -3.478 10.198 2.869 829 HG13 ILE 101 HG13 ILE 101 -2.442 8.771 2.977 830 HG21 ILE 101 HG21 ILE 101 -5.564 10.230 4.492 831 HG22 ILE 101 HG22 ILE 101 -5.942 8.511 4.230 832 HG23 ILE 101 HG23 ILE 101 -5.621 9.086 5.845 833 HD11 ILE 101 HD11 ILE 101 -4.516 7.383 2.386 834 HD12 ILE 101 HD12 ILE 101 -5.307 8.925 1.992 835 HD13 ILE 101 HD13 ILE 101 -3.858 8.423 1.114 836 H SER 102 H SER 102 -4.488 11.487 6.720 837 HA SER 102 HA SER 102 -4.392 10.002 9.278 838 HB2 SER 102 HB2 SER 102 -4.672 13.010 9.031 839 HB3 SER 102 HB3 SER 102 -4.414 12.067 10.503 840 HG SER 102 HG SER 102 -2.286 11.643 9.802 841 H ASN 103 H ASN 103 -6.312 10.735 10.514 842 HA ASN 103 HA ASN 103 -8.656 9.819 9.785 843 HB2 ASN 103 HB2 ASN 103 -9.638 11.541 11.509 844 HB3 ASN 103 HB3 ASN 103 -8.582 10.204 11.966 845 HD21 ASN 103 HD21 ASN 103 -7.266 10.824 13.549 846 HD22 ASN 103 HD22 ASN 103 -6.348 12.329 13.602 847 HA PRO 104 HA PRO 104 -9.837 12.973 6.643 848 HB2 PRO 104 HB2 PRO 104 -11.431 11.364 5.122 849 HB3 PRO 104 HB3 PRO 104 -9.670 11.388 4.965 850 HG2 PRO 104 HG2 PRO 104 -11.378 9.377 6.388 851 HG3 PRO 104 HG3 PRO 104 -9.889 9.112 5.435 852 HD2 PRO 104 HD2 PRO 104 -10.005 9.261 8.204 853 HD3 PRO 104 HD3 PRO 104 -8.537 9.541 7.221 Start of MODEL 10 1 H1 GLY -2 H GLY -2 21.046 3.544 9.512 2 HA2 GLY -2 HA2 GLY -2 19.090 2.008 9.734 3 HA3 GLY -2 HA3 GLY -2 18.766 3.422 8.698 4 H HIS -1 H HIS -1 17.711 0.551 8.646 5 HA HIS -1 HA HIS -1 17.703 0.366 5.805 6 HB2 HIS -1 HB2 HIS -1 18.922 -1.906 7.427 7 HB3 HIS -1 HB3 HIS -1 18.115 -2.184 5.889 8 HD1 HIS -1 HD1 HIS -1 21.291 -0.410 7.138 9 HD2 HIS -1 HD2 HIS -1 19.404 -1.864 3.670 10 HE1 HIS -1 HE1 HIS -1 22.945 -0.089 5.204 11 H MET 1 H MET 1 16.217 -2.036 5.634 12 HA MET 1 HA MET 1 14.262 -2.064 7.773 13 HB2 MET 1 HB2 MET 1 13.348 -0.327 6.135 14 HB3 MET 1 HB3 MET 1 13.434 -1.614 4.889 15 HG2 MET 1 HG2 MET 1 11.144 -1.386 5.873 16 HG3 MET 1 HG3 MET 1 11.816 -2.964 6.173 17 HE1 MET 1 HE1 MET 1 9.295 -2.444 8.170 18 HE2 MET 1 HE2 MET 1 10.447 -3.804 8.028 19 HE3 MET 1 HE3 MET 1 10.167 -3.054 9.590 20 H ILE 2 H ILE 2 13.212 -4.095 7.808 21 HA ILE 2 HA ILE 2 13.977 -6.104 5.789 22 HB ILE 2 HB ILE 2 14.224 -6.362 8.794 23 HG12 ILE 2 HG12 ILE 2 16.506 -6.209 6.761 24 HG13 ILE 2 HG13 ILE 2 16.078 -4.935 7.901 25 HG21 ILE 2 HG21 ILE 2 13.569 -8.429 7.761 26 HG22 ILE 2 HG22 ILE 2 14.903 -8.324 6.583 27 HG23 ILE 2 HG23 ILE 2 15.214 -8.571 8.317 28 HD11 ILE 2 HD11 ILE 2 16.576 -6.484 9.801 29 HD12 ILE 2 HD12 ILE 2 17.268 -7.610 8.595 30 HD13 ILE 2 HD13 ILE 2 17.961 -6.006 8.808 31 H ASN 3 H ASN 3 12.275 -7.567 5.538 32 HA ASN 3 HA ASN 3 10.258 -8.413 5.597 33 HB2 ASN 3 HB2 ASN 3 11.387 -9.283 7.749 34 HB3 ASN 3 HB3 ASN 3 10.135 -8.356 8.574 35 HD21 ASN 3 HD21 ASN 3 10.850 -11.449 7.380 36 HD22 ASN 3 HD22 ASN 3 9.227 -11.997 7.110 37 H MET 4 H MET 4 9.932 -5.970 4.769 38 HA MET 4 HA MET 4 7.598 -4.807 6.249 39 HB2 MET 4 HB2 MET 4 9.504 -3.252 6.149 40 HB3 MET 4 HB3 MET 4 9.573 -3.413 4.431 41 HG2 MET 4 HG2 MET 4 7.861 -1.957 4.069 42 HG3 MET 4 HG3 MET 4 6.919 -2.610 5.394 43 HE1 MET 4 HE1 MET 4 9.698 -0.258 4.306 44 HE2 MET 4 HE2 MET 4 8.843 1.196 4.891 45 HE3 MET 4 HE3 MET 4 10.190 0.557 5.812 46 H LYS 5 H LYS 5 5.779 -4.606 5.124 47 HA LYS 5 HA LYS 5 5.605 -5.059 2.124 48 HB2 LYS 5 HB2 LYS 5 4.117 -6.451 4.460 49 HB3 LYS 5 HB3 LYS 5 3.429 -6.370 2.831 50 HG2 LYS 5 HG2 LYS 5 5.046 -7.760 1.928 51 HG3 LYS 5 HG3 LYS 5 6.180 -7.530 3.262 52 HD2 LYS 5 HD2 LYS 5 5.474 -9.656 3.704 53 HD3 LYS 5 HD3 LYS 5 4.275 -8.769 4.631 54 HE2 LYS 5 HE2 LYS 5 3.123 -10.455 3.445 55 HE3 LYS 5 HE3 LYS 5 2.725 -8.938 2.648 56 HZ1 LYS 5 HZ1 LYS 5 4.355 -9.583 0.887 57 HZ2 LYS 5 HZ2 LYS 5 3.128 -10.668 1.113 58 HZ3 LYS 5 HZ3 LYS 5 4.637 -10.984 1.671 59 H VAL 6 H VAL 6 3.865 -4.145 1.217 60 HA VAL 6 HA VAL 6 2.342 -2.210 2.763 61 HB VAL 6 HB VAL 6 4.067 -1.576 0.372 62 HG11 VAL 6 HG11 VAL 6 3.590 0.575 0.266 63 HG12 VAL 6 HG12 VAL 6 2.155 -0.415 -0.012 64 HG13 VAL 6 HG13 VAL 6 2.321 0.458 1.575 65 HG21 VAL 6 HG21 VAL 6 5.181 0.053 1.747 66 HG22 VAL 6 HG22 VAL 6 4.477 -0.789 3.168 67 HG23 VAL 6 HG23 VAL 6 5.590 -1.629 2.050 68 H ALA 7 H ALA 7 0.365 -1.920 1.703 69 HA ALA 7 HA ALA 7 0.081 -3.639 -0.684 70 HB1 ALA 7 HB1 ALA 7 -2.465 -3.254 -0.326 71 HB2 ALA 7 HB2 ALA 7 -1.695 -3.987 1.107 72 HB3 ALA 7 HB3 ALA 7 -2.038 -2.262 1.054 73 H ILE 8 H ILE 8 0.925 -2.497 -2.332 74 HA ILE 8 HA ILE 8 0.334 0.358 -2.662 75 HB ILE 8 HB ILE 8 2.346 -1.645 -3.828 76 HG12 ILE 8 HG12 ILE 8 2.540 0.815 -2.251 77 HG13 ILE 8 HG13 ILE 8 3.008 -0.842 -1.873 78 HG21 ILE 8 HG21 ILE 8 1.290 -0.094 -5.723 79 HG22 ILE 8 HG22 ILE 8 1.662 1.266 -4.655 80 HG23 ILE 8 HG23 ILE 8 2.969 0.332 -5.403 81 HD11 ILE 8 HD11 ILE 8 5.029 0.294 -2.307 82 HD12 ILE 8 HD12 ILE 8 4.722 -0.717 -3.729 83 HD13 ILE 8 HD13 ILE 8 4.416 1.037 -3.797 84 H SER 9 H SER 9 -1.742 0.634 -3.286 85 HA SER 9 HA SER 9 -3.308 -1.320 -4.746 86 HB2 SER 9 HB2 SER 9 -4.987 0.595 -4.699 87 HB3 SER 9 HB3 SER 9 -4.409 0.000 -3.148 88 HG SER 9 HG SER 9 -2.882 2.059 -4.131 89 H MET 10 H MET 10 -3.503 -1.588 -6.959 90 HA MET 10 HA MET 10 -2.387 0.541 -8.735 91 HB2 MET 10 HB2 MET 10 -2.291 -2.457 -9.081 92 HB3 MET 10 HB3 MET 10 -1.530 -1.269 -10.130 93 HG2 MET 10 HG2 MET 10 -0.427 -0.726 -7.620 94 HG3 MET 10 HG3 MET 10 -0.693 -2.488 -7.606 95 HE1 MET 10 HE1 MET 10 0.326 -0.471 -10.971 96 HE2 MET 10 HE2 MET 10 0.951 0.488 -9.606 97 HE3 MET 10 HE3 MET 10 2.064 -0.360 -10.704 98 H ASP 11 H ASP 11 -3.110 0.497 -10.924 99 HA ASP 11 HA ASP 11 -5.908 -0.506 -11.370 100 HB2 ASP 11 HB2 ASP 11 -5.044 1.961 -11.847 101 HB3 ASP 11 HB3 ASP 11 -4.357 1.288 -13.275 102 H VAL 12 H VAL 12 -2.791 -0.218 -13.163 103 HA VAL 12 HA VAL 12 -2.963 -3.019 -14.002 104 HB VAL 12 HB VAL 12 -2.751 -0.785 -16.086 105 HG11 VAL 12 HG11 VAL 12 -3.022 -3.801 -16.407 106 HG12 VAL 12 HG12 VAL 12 -2.901 -2.601 -17.709 107 HG13 VAL 12 HG13 VAL 12 -1.525 -2.866 -16.629 108 HG21 VAL 12 HG21 VAL 12 -5.071 -0.796 -15.416 109 HG22 VAL 12 HG22 VAL 12 -4.904 -1.490 -17.014 110 HG23 VAL 12 HG23 VAL 12 -5.178 -2.549 -15.614 111 H ASP 13 H ASP 13 -1.298 -0.091 -15.133 112 HA ASP 13 HA ASP 13 1.277 -1.200 -14.261 113 HB2 ASP 13 HB2 ASP 13 1.009 -1.427 -16.582 114 HB3 ASP 13 HB3 ASP 13 0.231 0.135 -16.742 115 H LYS 14 H LYS 14 -0.748 1.166 -13.264 116 HA LYS 14 HA LYS 14 1.500 2.434 -11.955 117 HB2 LYS 14 HB2 LYS 14 0.702 4.710 -12.173 118 HB3 LYS 14 HB3 LYS 14 1.074 4.054 -13.750 119 HG2 LYS 14 HG2 LYS 14 -1.785 3.673 -12.938 120 HG3 LYS 14 HG3 LYS 14 -1.299 5.357 -12.974 121 HD2 LYS 14 HD2 LYS 14 -0.827 3.415 -15.273 122 HD3 LYS 14 HD3 LYS 14 -2.266 4.434 -15.095 123 HE2 LYS 14 HE2 LYS 14 -0.917 6.471 -15.133 124 HE3 LYS 14 HE3 LYS 14 0.580 5.521 -15.200 125 HZ1 LYS 14 HZ1 LYS 14 -1.531 5.528 -17.246 126 HZ2 LYS 14 HZ2 LYS 14 -0.078 4.678 -17.316 127 HZ3 LYS 14 HZ3 LYS 14 -0.087 6.311 -17.357 128 H ILE 15 H ILE 15 0.525 3.977 -10.287 129 HA ILE 15 HA ILE 15 -0.966 2.602 -8.342 130 HB ILE 15 HB ILE 15 -0.699 5.628 -8.692 131 HG12 ILE 15 HG12 ILE 15 1.263 3.617 -7.521 132 HG13 ILE 15 HG13 ILE 15 1.537 4.695 -8.900 133 HG21 ILE 15 HG21 ILE 15 -0.909 5.691 -6.280 134 HG22 ILE 15 HG22 ILE 15 -2.274 4.770 -6.891 135 HG23 ILE 15 HG23 ILE 15 -0.909 3.908 -6.190 136 HD11 ILE 15 HD11 ILE 15 1.377 6.649 -7.311 137 HD12 ILE 15 HD12 ILE 15 1.430 5.459 -5.987 138 HD13 ILE 15 HD13 ILE 15 2.778 5.574 -7.115 139 H SER 16 H SER 16 -3.066 2.612 -7.801 140 HA SER 16 HA SER 16 -5.088 2.999 -9.807 141 HB2 SER 16 HB2 SER 16 -6.595 2.383 -7.888 142 HB3 SER 16 HB3 SER 16 -5.282 1.241 -8.143 143 HG SER 16 HG SER 16 -4.160 2.226 -6.406 144 H ASN 17 H ASN 17 -7.087 4.196 -9.375 145 HA ASN 17 HA ASN 17 -6.723 6.980 -8.781 146 HB2 ASN 17 HB2 ASN 17 -8.372 6.066 -10.408 147 HB3 ASN 17 HB3 ASN 17 -9.291 5.363 -9.071 148 HD21 ASN 17 HD21 ASN 17 -7.982 8.505 -10.263 149 HD22 ASN 17 HD22 ASN 17 -9.292 9.480 -9.577 150 H SER 18 H SER 18 -8.327 4.276 -6.939 151 HA SER 18 HA SER 18 -7.656 5.507 -4.443 152 HB2 SER 18 HB2 SER 18 -9.749 6.785 -5.020 153 HB3 SER 18 HB3 SER 18 -10.617 5.239 -5.077 154 HG SER 18 HG SER 18 -10.553 6.519 -3.007 155 H PHE 19 H PHE 19 -8.533 4.092 -2.685 156 HA PHE 19 HA PHE 19 -7.636 1.394 -3.032 157 HB2 PHE 19 HB2 PHE 19 -7.657 2.852 -0.929 158 HB3 PHE 19 HB3 PHE 19 -9.381 2.497 -0.800 159 HD1 PHE 19 HD2 PHE 19 -10.098 0.017 -0.541 160 HD2 PHE 19 HD1 PHE 19 -6.058 1.423 0.068 161 HE1 PHE 19 HE2 PHE 19 -9.593 -2.005 0.759 162 HE2 PHE 19 HE1 PHE 19 -5.543 -0.604 1.301 163 HZ PHE 19 HZ PHE 19 -7.310 -2.360 1.683 164 H GLU 20 H GLU 20 -10.890 2.853 -3.001 165 HA GLU 20 HA GLU 20 -12.116 0.217 -3.656 166 HB2 GLU 20 HB2 GLU 20 -12.797 2.388 -1.883 167 HB3 GLU 20 HB3 GLU 20 -14.091 2.215 -3.057 168 HG2 GLU 20 HG2 GLU 20 -12.917 -0.243 -1.713 169 HG3 GLU 20 HG3 GLU 20 -13.941 0.829 -0.795 170 H ASP 21 H ASP 21 -10.514 2.044 -5.420 171 HA ASP 21 HA ASP 21 -12.316 1.464 -7.629 172 HB2 ASP 21 HB2 ASP 21 -12.592 3.943 -7.173 173 HB3 ASP 21 HB3 ASP 21 -10.884 4.136 -7.574 174 H CYS 22 H CYS 22 -10.139 0.066 -6.456 175 HA CYS 22 HA CYS 22 -7.982 0.389 -8.485 176 HB2 CYS 22 HB2 CYS 22 -6.372 -0.554 -6.966 177 HB3 CYS 22 HB3 CYS 22 -7.073 0.881 -6.238 178 HG CYS 22 HG CYS 22 -8.835 -0.455 -4.732 179 H LYS 23 H LYS 23 -6.862 -1.670 -8.942 180 HA LYS 23 HA LYS 23 -8.959 -3.721 -9.512 181 HB2 LYS 23 HB2 LYS 23 -6.454 -2.728 -10.900 182 HB3 LYS 23 HB3 LYS 23 -7.182 -4.265 -11.330 183 HG2 LYS 23 HG2 LYS 23 -7.870 -2.523 -12.880 184 HG3 LYS 23 HG3 LYS 23 -9.217 -3.241 -12.025 185 HD2 LYS 23 HD2 LYS 23 -9.357 -1.192 -10.567 186 HD3 LYS 23 HD3 LYS 23 -8.056 -0.487 -11.534 187 HE2 LYS 23 HE2 LYS 23 -9.900 0.395 -12.572 188 HE3 LYS 23 HE3 LYS 23 -9.652 -1.061 -13.546 189 HZ1 LYS 23 HZ1 LYS 23 -11.989 -0.831 -12.866 190 HZ2 LYS 23 HZ2 LYS 23 -11.604 -0.741 -11.299 191 HZ3 LYS 23 HZ3 LYS 23 -11.368 -2.148 -12.078 192 H TYR 24 H TYR 24 -5.731 -3.202 -8.047 193 HA TYR 24 HA TYR 24 -6.071 -5.661 -6.664 194 HB2 TYR 24 HB2 TYR 24 -4.182 -6.870 -7.404 195 HB3 TYR 24 HB3 TYR 24 -5.126 -6.495 -8.814 196 HD1 TYR 24 HD1 TYR 24 -4.404 -4.623 -10.346 197 HD2 TYR 24 HD2 TYR 24 -1.834 -6.403 -7.371 198 HE1 TYR 24 HE1 TYR 24 -2.375 -3.959 -11.648 199 HE2 TYR 24 HE2 TYR 24 0.034 -5.698 -8.449 200 HH TYR 24 HH TYR 24 -0.099 -3.954 -11.701 201 H PHE 25 H PHE 25 -4.387 -6.040 -5.119 202 HA PHE 25 HA PHE 25 -3.023 -3.586 -4.154 203 HB2 PHE 25 HB2 PHE 25 -3.879 -6.147 -2.747 204 HB3 PHE 25 HB3 PHE 25 -2.982 -4.850 -1.986 205 HD1 PHE 25 HD1 PHE 25 -4.107 -2.391 -2.323 206 HD2 PHE 25 HD2 PHE 25 -6.206 -6.164 -2.506 207 HE1 PHE 25 HE1 PHE 25 -6.273 -1.220 -1.925 208 HE2 PHE 25 HE2 PHE 25 -8.349 -4.970 -2.017 209 HZ PHE 25 HZ PHE 25 -8.370 -2.511 -1.763 210 H LEU 26 H LEU 26 -0.972 -3.539 -4.939 211 HA LEU 26 HA LEU 26 0.538 -5.918 -5.475 212 HB2 LEU 26 HB2 LEU 26 0.685 -3.743 -6.732 213 HB3 LEU 26 HB3 LEU 26 1.545 -3.056 -5.384 214 HG LEU 26 HG LEU 26 3.087 -3.655 -7.044 215 HD11 LEU 26 HD11 LEU 26 3.347 -6.146 -5.404 216 HD12 LEU 26 HD12 LEU 26 3.731 -4.509 -4.733 217 HD13 LEU 26 HD13 LEU 26 4.559 -5.128 -6.174 218 HD21 LEU 26 HD21 LEU 26 3.435 -5.900 -7.984 219 HD22 LEU 26 HD22 LEU 26 1.960 -5.179 -8.488 220 HD23 LEU 26 HD23 LEU 26 1.964 -6.499 -7.227 221 H ILE 27 H ILE 27 0.887 -7.027 -3.461 222 HA ILE 27 HA ILE 27 1.526 -5.565 -1.023 223 HB ILE 27 HB ILE 27 1.761 -8.560 -1.283 224 HG12 ILE 27 HG12 ILE 27 -0.498 -8.027 -2.079 225 HG13 ILE 27 HG13 ILE 27 -0.526 -8.795 -0.515 226 HG21 ILE 27 HG21 ILE 27 1.255 -6.719 1.073 227 HG22 ILE 27 HG22 ILE 27 1.337 -8.496 1.097 228 HG23 ILE 27 HG23 ILE 27 2.768 -7.549 0.666 229 HD11 ILE 27 HD11 ILE 27 -2.168 -6.952 -0.677 230 HD12 ILE 27 HD12 ILE 27 -0.982 -6.621 0.590 231 HD13 ILE 27 HD13 ILE 27 -0.869 -5.796 -0.982 232 H VAL 28 H VAL 28 3.386 -4.466 -1.455 233 HA VAL 28 HA VAL 28 5.579 -5.499 -2.875 234 HB VAL 28 HB VAL 28 4.699 -3.013 -2.016 235 HG11 VAL 28 HG11 VAL 28 4.895 -3.372 -0.004 236 HG12 VAL 28 HG12 VAL 28 5.874 -2.012 -0.585 237 HG13 VAL 28 HG13 VAL 28 6.762 -3.476 -0.024 238 HG21 VAL 28 HG21 VAL 28 6.906 -1.957 -2.511 239 HG22 VAL 28 HG22 VAL 28 7.698 -3.549 -2.345 240 HG23 VAL 28 HG23 VAL 28 6.652 -3.175 -3.747 241 H ARG 29 H ARG 29 7.993 -5.846 -1.839 242 HA ARG 29 HA ARG 29 7.906 -6.477 1.009 243 HB2 ARG 29 HB2 ARG 29 8.137 -8.533 -1.020 244 HB3 ARG 29 HB3 ARG 29 9.686 -8.367 -0.211 245 HG2 ARG 29 HG2 ARG 29 8.054 -8.381 1.966 246 HG3 ARG 29 HG3 ARG 29 7.039 -9.259 0.881 247 HD2 ARG 29 HD2 ARG 29 9.053 -10.776 0.372 248 HD3 ARG 29 HD3 ARG 29 9.884 -9.986 1.704 249 HE ARG 29 HE ARG 29 8.113 -12.125 1.880 250 HH11 ARG 29 HH11 ARG 29 8.694 -9.098 3.690 251 HH12 ARG 29 HH12 ARG 29 7.761 -9.590 5.066 252 HH21 ARG 29 HH21 ARG 29 7.192 -12.853 3.730 253 HH22 ARG 29 HH22 ARG 29 6.917 -11.840 5.128 254 H ILE 30 H ILE 30 9.549 -5.524 2.045 255 HA ILE 30 HA ILE 30 11.994 -4.753 0.552 256 HB ILE 30 HB ILE 30 10.545 -3.143 2.671 257 HG12 ILE 30 HG12 ILE 30 11.066 -1.528 0.411 258 HG13 ILE 30 HG13 ILE 30 10.537 -3.068 -0.256 259 HG21 ILE 30 HG21 ILE 30 12.941 -2.962 3.071 260 HG22 ILE 30 HG22 ILE 30 13.200 -2.538 1.368 261 HG23 ILE 30 HG23 ILE 30 12.295 -1.445 2.432 262 HD11 ILE 30 HD11 ILE 30 9.071 -1.373 1.806 263 HD12 ILE 30 HD12 ILE 30 8.616 -1.598 0.110 264 HD13 ILE 30 HD13 ILE 30 8.519 -2.969 1.246 265 H ASP 31 H ASP 31 13.452 -6.082 1.209 266 HA ASP 31 HA ASP 31 13.413 -7.118 3.990 267 HB2 ASP 31 HB2 ASP 31 14.366 -8.374 1.403 268 HB3 ASP 31 HB3 ASP 31 14.518 -9.110 3.008 269 H ASP 32 H ASP 32 15.171 -5.152 1.944 270 HA ASP 32 HA ASP 32 17.075 -4.713 3.966 271 HB2 ASP 32 HB2 ASP 32 17.924 -6.791 2.303 272 HB3 ASP 32 HB3 ASP 32 18.664 -5.445 1.488 273 H ASN 33 H ASN 33 15.527 -3.093 3.460 274 HA ASN 33 HA ASN 33 14.900 -1.020 2.783 275 HB2 ASN 33 HB2 ASN 33 17.313 -0.903 3.908 276 HB3 ASN 33 HB3 ASN 33 17.755 -0.246 2.340 277 HD21 ASN 33 HD21 ASN 33 15.098 0.110 4.836 278 HD22 ASN 33 HD22 ASN 33 15.186 1.850 4.826 279 H GLU 34 H GLU 34 15.334 -2.921 0.393 280 HA GLU 34 HA GLU 34 14.675 -0.850 -1.588 281 HB2 GLU 34 HB2 GLU 34 16.578 -3.193 -2.057 282 HB3 GLU 34 HB3 GLU 34 15.876 -2.178 -3.322 283 HG2 GLU 34 HG2 GLU 34 17.046 -0.207 -2.093 284 HG3 GLU 34 HG3 GLU 34 18.000 -1.479 -1.295 285 H VAL 35 H VAL 35 13.644 -2.084 -3.534 286 HA VAL 35 HA VAL 35 11.688 -4.003 -2.606 287 HB VAL 35 HB VAL 35 11.160 -2.416 -4.354 288 HG11 VAL 35 HG11 VAL 35 11.959 -2.549 -6.627 289 HG12 VAL 35 HG12 VAL 35 13.298 -2.191 -5.531 290 HG13 VAL 35 HG13 VAL 35 13.111 -3.822 -6.194 291 HG21 VAL 35 HG21 VAL 35 10.033 -3.945 -5.886 292 HG22 VAL 35 HG22 VAL 35 11.087 -5.280 -5.381 293 HG23 VAL 35 HG23 VAL 35 9.947 -4.555 -4.224 294 H LYS 36 H LYS 36 12.208 -5.991 -2.099 295 HA LYS 36 HA LYS 36 14.405 -7.377 -3.631 296 HB2 LYS 36 HB2 LYS 36 13.552 -7.584 -0.754 297 HB3 LYS 36 HB3 LYS 36 14.119 -9.028 -1.585 298 HG2 LYS 36 HG2 LYS 36 15.943 -7.940 -0.418 299 HG3 LYS 36 HG3 LYS 36 16.234 -8.022 -2.160 300 HD2 LYS 36 HD2 LYS 36 15.721 -5.605 -2.366 301 HD3 LYS 36 HD3 LYS 36 15.339 -5.548 -0.642 302 HE2 LYS 36 HE2 LYS 36 17.501 -4.782 -0.600 303 HE3 LYS 36 HE3 LYS 36 17.755 -6.505 -0.324 304 HZ1 LYS 36 HZ1 LYS 36 18.109 -5.079 -2.922 305 HZ2 LYS 36 HZ2 LYS 36 18.319 -6.702 -2.722 306 HZ3 LYS 36 HZ3 LYS 36 19.273 -5.677 -1.933 307 H SER 37 H SER 37 11.027 -7.654 -2.400 308 HA SER 37 HA SER 37 10.439 -9.360 -4.703 309 HB2 SER 37 HB2 SER 37 8.990 -10.414 -2.486 310 HB3 SER 37 HB3 SER 37 10.161 -11.235 -3.516 311 HG SER 37 HG SER 37 11.385 -11.353 -1.848 312 H THR 38 H THR 38 7.851 -9.633 -4.655 313 HA THR 38 HA THR 38 6.327 -7.562 -3.353 314 HB THR 38 HB THR 38 5.619 -6.966 -5.892 315 HG1 THR 38 HG1 THR 38 7.593 -6.550 -7.017 316 HG21 THR 38 HG21 THR 38 7.635 -5.096 -5.611 317 HG22 THR 38 HG22 THR 38 7.422 -5.531 -3.897 318 HG23 THR 38 HG23 THR 38 6.092 -4.970 -4.756 319 H LYS 39 H LYS 39 3.884 -7.813 -4.457 320 HA LYS 39 HA LYS 39 3.261 -10.488 -5.359 321 HB2 LYS 39 HB2 LYS 39 3.242 -9.851 -2.521 322 HB3 LYS 39 HB3 LYS 39 1.595 -9.713 -3.031 323 HG2 LYS 39 HG2 LYS 39 1.338 -11.816 -2.602 324 HG3 LYS 39 HG3 LYS 39 2.135 -12.145 -4.130 325 HD2 LYS 39 HD2 LYS 39 4.010 -11.647 -1.925 326 HD3 LYS 39 HD3 LYS 39 2.902 -12.922 -1.520 327 HE2 LYS 39 HE2 LYS 39 4.622 -12.830 -4.045 328 HE3 LYS 39 HE3 LYS 39 5.086 -13.680 -2.550 329 HZ1 LYS 39 HZ1 LYS 39 2.896 -14.302 -4.393 330 HZ2 LYS 39 HZ2 LYS 39 2.930 -14.933 -2.842 331 HZ3 LYS 39 HZ3 LYS 39 4.094 -15.294 -3.928 332 H VAL 40 H VAL 40 0.966 -10.471 -6.269 333 HA VAL 40 HA VAL 40 -0.672 -8.322 -5.423 334 HB VAL 40 HB VAL 40 -0.147 -7.719 -7.287 335 HG11 VAL 40 HG11 VAL 40 0.004 -8.857 -9.383 336 HG12 VAL 40 HG12 VAL 40 1.341 -9.017 -8.252 337 HG13 VAL 40 HG13 VAL 40 0.171 -10.406 -8.470 338 HG21 VAL 40 HG21 VAL 40 -2.027 -8.311 -9.005 339 HG22 VAL 40 HG22 VAL 40 -2.224 -9.865 -8.161 340 HG23 VAL 40 HG23 VAL 40 -2.714 -8.371 -7.355 341 H ILE 41 H ILE 41 -2.648 -8.408 -5.039 342 HA ILE 41 HA ILE 41 -4.206 -10.917 -4.908 343 HB ILE 41 HB ILE 41 -4.135 -8.603 -2.879 344 HG12 ILE 41 HG12 ILE 41 -3.208 -11.467 -2.412 345 HG13 ILE 41 HG13 ILE 41 -2.164 -10.049 -2.535 346 HG21 ILE 41 HG21 ILE 41 -5.715 -11.203 -2.668 347 HG22 ILE 41 HG22 ILE 41 -5.879 -9.709 -1.697 348 HG23 ILE 41 HG23 ILE 41 -6.388 -9.724 -3.384 349 HD11 ILE 41 HD11 ILE 41 -4.225 -10.526 -0.349 350 HD12 ILE 41 HD12 ILE 41 -2.462 -10.571 -0.202 351 HD13 ILE 41 HD13 ILE 41 -3.286 -9.035 -0.558 352 H PHE 42 H PHE 42 -5.847 -10.489 -6.450 353 HA PHE 42 HA PHE 42 -6.321 -7.857 -7.500 354 HB2 PHE 42 HB2 PHE 42 -8.095 -10.333 -7.631 355 HB3 PHE 42 HB3 PHE 42 -8.295 -8.875 -8.592 356 HD1 PHE 42 HD1 PHE 42 -5.872 -8.141 -9.781 357 HD2 PHE 42 HD2 PHE 42 -7.287 -12.116 -8.952 358 HE1 PHE 42 HE1 PHE 42 -4.283 -9.032 -11.434 359 HE2 PHE 42 HE2 PHE 42 -5.804 -12.988 -10.767 360 HZ PHE 42 HZ PHE 42 -4.275 -11.463 -11.975 361 H ASN 43 H ASN 43 -8.351 -6.642 -7.434 362 HA ASN 43 HA ASN 43 -9.413 -6.360 -4.727 363 HB2 ASN 43 HB2 ASN 43 -9.065 -4.321 -6.133 364 HB3 ASN 43 HB3 ASN 43 -10.240 -4.932 -7.277 365 HD21 ASN 43 HD21 ASN 43 -11.309 -2.807 -6.726 366 HD22 ASN 43 HD22 ASN 43 -12.531 -2.895 -5.505 367 H ASP 44 H ASP 44 -10.481 -8.376 -4.415 368 HA ASP 44 HA ASP 44 -13.022 -8.710 -5.942 369 HB2 ASP 44 HB2 ASP 44 -10.905 -9.977 -6.809 370 HB3 ASP 44 HB3 ASP 44 -11.170 -11.033 -5.433 371 H GLU 45 H GLU 45 -12.403 -7.839 -3.232 372 HA GLU 45 HA GLU 45 -13.572 -7.763 -1.380 373 HB2 GLU 45 HB2 GLU 45 -15.439 -8.633 -3.028 374 HB3 GLU 45 HB3 GLU 45 -15.292 -10.135 -2.123 375 HG2 GLU 45 HG2 GLU 45 -17.077 -8.824 -1.156 376 HG3 GLU 45 HG3 GLU 45 -15.732 -8.849 -0.008 377 H SER 46 H SER 46 -13.060 -11.248 -2.134 378 HA SER 46 HA SER 46 -12.249 -12.065 0.572 379 HB2 SER 46 HB2 SER 46 -12.969 -13.625 -1.269 380 HB3 SER 46 HB3 SER 46 -11.485 -13.208 -2.151 381 HG SER 46 HG SER 46 -11.884 -14.911 -0.072 382 H GLY 47 H GLY 47 -10.690 -10.468 -2.210 383 HA2 GLY 47 HA2 GLY 47 -8.013 -10.790 -1.629 384 HA3 GLY 47 HA3 GLY 47 -8.694 -9.301 -2.320 385 H LYS 48 H LYS 48 -10.215 -8.341 -0.174 386 HA LYS 48 HA LYS 48 -8.256 -7.050 1.460 387 HB2 LYS 48 HB2 LYS 48 -11.274 -7.367 1.668 388 HB3 LYS 48 HB3 LYS 48 -10.357 -6.428 2.843 389 HG2 LYS 48 HG2 LYS 48 -9.864 -4.715 1.367 390 HG3 LYS 48 HG3 LYS 48 -9.908 -5.754 -0.051 391 HD2 LYS 48 HD2 LYS 48 -11.779 -4.207 -0.114 392 HD3 LYS 48 HD3 LYS 48 -12.356 -5.870 0.029 393 HE2 LYS 48 HE2 LYS 48 -12.590 -5.483 2.531 394 HE3 LYS 48 HE3 LYS 48 -12.201 -3.776 2.242 395 HZ1 LYS 48 HZ1 LYS 48 -14.144 -3.645 0.835 396 HZ2 LYS 48 HZ2 LYS 48 -14.565 -4.148 2.343 397 HZ3 LYS 48 HZ3 LYS 48 -14.522 -5.213 1.057 398 H LYS 49 H LYS 49 -10.259 -10.020 2.097 399 HA LYS 49 HA LYS 49 -9.531 -10.273 4.787 400 HB2 LYS 49 HB2 LYS 49 -10.884 -11.845 2.713 401 HB3 LYS 49 HB3 LYS 49 -9.756 -12.872 3.594 402 HG2 LYS 49 HG2 LYS 49 -10.772 -12.091 5.703 403 HG3 LYS 49 HG3 LYS 49 -11.934 -11.133 4.836 404 HD2 LYS 49 HD2 LYS 49 -11.636 -14.031 4.084 405 HD3 LYS 49 HD3 LYS 49 -12.437 -13.679 5.638 406 HE2 LYS 49 HE2 LYS 49 -13.173 -12.522 2.949 407 HE3 LYS 49 HE3 LYS 49 -13.909 -13.980 3.644 408 HZ1 LYS 49 HZ1 LYS 49 -14.067 -11.267 4.782 409 HZ2 LYS 49 HZ2 LYS 49 -14.769 -12.616 5.453 410 HZ3 LYS 49 HZ3 LYS 49 -15.261 -12.044 3.999 411 H SER 50 H SER 50 -7.950 -11.564 1.806 412 HA SER 50 HA SER 50 -5.891 -12.949 3.174 413 HB2 SER 50 HB2 SER 50 -6.114 -11.826 0.356 414 HB3 SER 50 HB3 SER 50 -4.745 -12.796 0.913 415 HG SER 50 HG SER 50 -6.071 -14.239 0.136 416 H ILE 51 H ILE 51 -6.076 -9.508 2.169 417 HA ILE 51 HA ILE 51 -3.386 -8.764 2.599 418 HB ILE 51 HB ILE 51 -5.928 -7.204 3.212 419 HG12 ILE 51 HG12 ILE 51 -4.126 -7.146 0.747 420 HG13 ILE 51 HG13 ILE 51 -5.694 -7.912 0.831 421 HG21 ILE 51 HG21 ILE 51 -3.863 -6.196 4.328 422 HG22 ILE 51 HG22 ILE 51 -3.225 -5.981 2.681 423 HG23 ILE 51 HG23 ILE 51 -4.711 -5.179 3.206 424 HD11 ILE 51 HD11 ILE 51 -5.019 -5.027 0.684 425 HD12 ILE 51 HD12 ILE 51 -6.371 -5.952 -0.030 426 HD13 ILE 51 HD13 ILE 51 -6.457 -5.460 1.652 427 H VAL 52 H VAL 52 -6.043 -9.232 4.984 428 HA VAL 52 HA VAL 52 -4.738 -8.117 7.198 429 HB VAL 52 HB VAL 52 -6.630 -10.506 7.223 430 HG11 VAL 52 HG11 VAL 52 -5.567 -10.204 9.371 431 HG12 VAL 52 HG12 VAL 52 -5.833 -8.451 9.320 432 HG13 VAL 52 HG13 VAL 52 -7.207 -9.554 9.489 433 HG21 VAL 52 HG21 VAL 52 -7.671 -8.625 5.988 434 HG22 VAL 52 HG22 VAL 52 -8.428 -8.821 7.563 435 HG23 VAL 52 HG23 VAL 52 -7.256 -7.511 7.302 436 H LYS 53 H LYS 53 -4.533 -11.456 5.890 437 HA LYS 53 HA LYS 53 -2.658 -12.249 7.989 438 HB2 LYS 53 HB2 LYS 53 -4.004 -13.638 5.657 439 HB3 LYS 53 HB3 LYS 53 -2.595 -14.357 6.415 440 HG2 LYS 53 HG2 LYS 53 -4.402 -15.334 7.517 441 HG3 LYS 53 HG3 LYS 53 -3.714 -14.194 8.661 442 HD2 LYS 53 HD2 LYS 53 -5.501 -12.615 8.316 443 HD3 LYS 53 HD3 LYS 53 -6.129 -13.511 6.931 444 HE2 LYS 53 HE2 LYS 53 -5.982 -14.598 9.783 445 HE3 LYS 53 HE3 LYS 53 -7.408 -13.807 9.102 446 HZ1 LYS 53 HZ1 LYS 53 -6.217 -16.276 8.007 447 HZ2 LYS 53 HZ2 LYS 53 -7.605 -15.556 7.491 448 HZ3 LYS 53 HZ3 LYS 53 -7.511 -16.215 8.994 449 H GLU 54 H GLU 54 -2.192 -10.664 4.907 450 HA GLU 54 HA GLU 54 0.379 -11.772 4.289 451 HB2 GLU 54 HB2 GLU 54 -0.959 -9.094 3.731 452 HB3 GLU 54 HB3 GLU 54 0.685 -9.400 3.253 453 HG2 GLU 54 HG2 GLU 54 -1.694 -11.030 2.340 454 HG3 GLU 54 HG3 GLU 54 -0.932 -9.736 1.438 455 H ASN 55 H ASN 55 -0.655 -9.730 6.892 456 HA ASN 55 HA ASN 55 0.351 -8.398 8.403 457 HB2 ASN 55 HB2 ASN 55 2.959 -9.824 7.835 458 HB3 ASN 55 HB3 ASN 55 2.522 -8.910 9.278 459 HD21 ASN 55 HD21 ASN 55 3.302 -11.777 8.888 460 HD22 ASN 55 HD22 ASN 55 2.043 -12.705 9.675 461 H VAL 56 H VAL 56 -0.197 -7.019 6.340 462 HA VAL 56 HA VAL 56 2.096 -5.819 5.006 463 HB VAL 56 HB VAL 56 -0.604 -4.484 5.363 464 HG11 VAL 56 HG11 VAL 56 1.312 -4.570 3.028 465 HG12 VAL 56 HG12 VAL 56 -0.121 -3.531 3.232 466 HG13 VAL 56 HG13 VAL 56 1.274 -3.304 4.287 467 HG21 VAL 56 HG21 VAL 56 -1.209 -5.414 3.106 468 HG22 VAL 56 HG22 VAL 56 0.062 -6.640 3.303 469 HG23 VAL 56 HG23 VAL 56 -1.328 -6.599 4.427 470 H ASN 57 H ASN 57 3.004 -3.849 5.626 471 HA ASN 57 HA ASN 57 2.926 -2.974 8.437 472 HB2 ASN 57 HB2 ASN 57 4.923 -3.425 6.547 473 HB3 ASN 57 HB3 ASN 57 4.756 -1.699 6.456 474 HD21 ASN 57 HD21 ASN 57 5.599 -0.502 8.011 475 HD22 ASN 57 HD22 ASN 57 6.677 -1.154 9.210 476 H ALA 58 H ALA 58 2.197 -1.872 5.122 477 HA ALA 58 HA ALA 58 0.884 0.550 6.133 478 HB1 ALA 58 HB1 ALA 58 2.314 1.837 4.340 479 HB2 ALA 58 HB2 ALA 58 3.019 1.448 5.913 480 HB3 ALA 58 HB3 ALA 58 3.428 0.454 4.516 481 H ILE 59 H ILE 59 -0.209 1.772 4.331 482 HA ILE 59 HA ILE 59 -0.698 0.176 1.829 483 HB ILE 59 HB ILE 59 -2.651 1.945 3.425 484 HG12 ILE 59 HG12 ILE 59 -2.839 -1.022 2.862 485 HG13 ILE 59 HG13 ILE 59 -2.260 -0.343 4.368 486 HG21 ILE 59 HG21 ILE 59 -2.935 2.154 0.946 487 HG22 ILE 59 HG22 ILE 59 -3.165 0.401 0.841 488 HG23 ILE 59 HG23 ILE 59 -4.324 1.431 1.728 489 HD11 ILE 59 HD11 ILE 59 -4.537 -1.055 4.646 490 HD12 ILE 59 HD12 ILE 59 -4.396 0.691 4.856 491 HD13 ILE 59 HD13 ILE 59 -5.082 0.046 3.353 492 H ILE 60 H ILE 60 0.248 1.585 0.091 493 HA ILE 60 HA ILE 60 0.190 4.510 0.658 494 HB ILE 60 HB ILE 60 1.587 2.940 -1.501 495 HG12 ILE 60 HG12 ILE 60 2.990 4.266 0.867 496 HG13 ILE 60 HG13 ILE 60 2.657 2.571 0.794 497 HG21 ILE 60 HG21 ILE 60 0.946 5.442 -1.903 498 HG22 ILE 60 HG22 ILE 60 1.966 5.863 -0.561 499 HG23 ILE 60 HG23 ILE 60 2.675 5.144 -2.025 500 HD11 ILE 60 HD11 ILE 60 4.491 4.101 -1.067 501 HD12 ILE 60 HD12 ILE 60 4.888 2.782 0.055 502 HD13 ILE 60 HD13 ILE 60 3.945 2.446 -1.396 503 H CYS 61 H CYS 61 -1.481 5.543 -0.537 504 HA CYS 61 HA CYS 61 -2.536 4.211 -2.900 505 HB2 CYS 61 HB2 CYS 61 -4.895 4.299 -2.156 506 HB3 CYS 61 HB3 CYS 61 -3.946 3.100 -1.353 507 HG CYS 61 HG CYS 61 -4.642 6.109 -0.131 508 H LYS 62 H LYS 62 -4.061 5.735 -4.077 509 HA LYS 62 HA LYS 62 -3.200 8.548 -3.707 510 HB2 LYS 62 HB2 LYS 62 -5.137 7.165 -5.598 511 HB3 LYS 62 HB3 LYS 62 -4.995 8.925 -5.466 512 HG2 LYS 62 HG2 LYS 62 -2.490 8.630 -5.958 513 HG3 LYS 62 HG3 LYS 62 -2.876 6.958 -6.386 514 HD2 LYS 62 HD2 LYS 62 -4.536 7.791 -8.065 515 HD3 LYS 62 HD3 LYS 62 -4.165 9.437 -7.622 516 HE2 LYS 62 HE2 LYS 62 -2.070 7.520 -8.720 517 HE3 LYS 62 HE3 LYS 62 -3.089 8.558 -9.722 518 HZ1 LYS 62 HZ1 LYS 62 -0.895 9.357 -8.033 519 HZ2 LYS 62 HZ2 LYS 62 -2.214 10.378 -8.102 520 HZ3 LYS 62 HZ3 LYS 62 -1.429 9.892 -9.488 521 H ASN 63 H ASN 63 -6.038 6.432 -2.958 522 HA ASN 63 HA ASN 63 -7.086 8.408 -1.142 523 HB2 ASN 63 HB2 ASN 63 -8.174 8.131 -3.943 524 HB3 ASN 63 HB3 ASN 63 -9.356 8.170 -2.663 525 HD21 ASN 63 HD21 ASN 63 -8.068 10.326 -4.789 526 HD22 ASN 63 HD22 ASN 63 -7.763 11.667 -3.707 527 H ILE 64 H ILE 64 -9.303 7.434 -0.329 528 HA ILE 64 HA ILE 64 -9.457 4.565 -0.420 529 HB ILE 64 HB ILE 64 -7.432 4.613 0.753 530 HG12 ILE 64 HG12 ILE 64 -9.599 4.178 2.826 531 HG13 ILE 64 HG13 ILE 64 -9.121 3.030 1.576 532 HG21 ILE 64 HG21 ILE 64 -8.536 6.615 2.753 533 HG22 ILE 64 HG22 ILE 64 -6.898 5.892 2.730 534 HG23 ILE 64 HG23 ILE 64 -7.377 6.984 1.466 535 HD11 ILE 64 HD11 ILE 64 -6.787 3.029 2.541 536 HD12 ILE 64 HD12 ILE 64 -7.408 4.036 3.872 537 HD13 ILE 64 HD13 ILE 64 -8.038 2.397 3.634 538 H SER 65 H SER 65 -11.637 4.121 -0.080 539 HA SER 65 HA SER 65 -13.555 5.843 0.863 540 HB2 SER 65 HB2 SER 65 -13.370 2.814 0.948 541 HB3 SER 65 HB3 SER 65 -14.783 3.665 1.571 542 HG SER 65 HG SER 65 -15.124 3.082 -0.539 543 H GLU 66 H GLU 66 -14.463 6.407 2.738 544 HA GLU 66 HA GLU 66 -13.017 6.645 5.066 545 HB2 GLU 66 HB2 GLU 66 -14.910 8.043 4.538 546 HB3 GLU 66 HB3 GLU 66 -16.038 6.699 4.650 547 HG2 GLU 66 HG2 GLU 66 -16.102 6.724 6.941 548 HG3 GLU 66 HG3 GLU 66 -14.404 7.099 7.099 549 H GLU 67 H GLU 67 -15.498 4.041 4.460 550 HA GLU 67 HA GLU 67 -15.230 2.780 6.936 551 HB2 GLU 67 HB2 GLU 67 -16.828 2.248 4.924 552 HB3 GLU 67 HB3 GLU 67 -15.536 1.196 4.351 553 HG2 GLU 67 HG2 GLU 67 -15.581 0.301 6.876 554 HG3 GLU 67 HG3 GLU 67 -17.176 1.057 6.859 555 H ASN 68 H ASN 68 -13.424 2.216 3.928 556 HA ASN 68 HA ASN 68 -11.856 0.023 4.954 557 HB2 ASN 68 HB2 ASN 68 -11.513 1.807 2.519 558 HB3 ASN 68 HB3 ASN 68 -10.287 0.634 2.976 559 HD21 ASN 68 HD21 ASN 68 -11.950 0.631 0.524 560 HD22 ASN 68 HD22 ASN 68 -12.726 -0.909 0.485 561 H TYR 69 H TYR 69 -11.220 3.532 4.722 562 HA TYR 69 HA TYR 69 -8.582 3.523 5.802 563 HB2 TYR 69 HB2 TYR 69 -9.731 5.476 4.742 564 HB3 TYR 69 HB3 TYR 69 -10.812 5.592 6.116 565 HD1 TYR 69 HD1 TYR 69 -9.846 6.176 8.448 566 HD2 TYR 69 HD2 TYR 69 -7.450 6.249 4.846 567 HE1 TYR 69 HE1 TYR 69 -8.163 7.470 9.585 568 HE2 TYR 69 HE2 TYR 69 -5.707 7.511 6.039 569 HH TYR 69 HH TYR 69 -5.990 8.845 9.264 570 H LYS 70 H LYS 70 -11.727 4.019 7.548 571 HA LYS 70 HA LYS 70 -10.441 4.004 10.108 572 HB2 LYS 70 HB2 LYS 70 -13.279 3.962 9.099 573 HB3 LYS 70 HB3 LYS 70 -13.009 3.281 10.698 574 HG2 LYS 70 HG2 LYS 70 -11.807 5.310 11.412 575 HG3 LYS 70 HG3 LYS 70 -12.167 6.072 9.867 576 HD2 LYS 70 HD2 LYS 70 -14.479 4.899 11.388 577 HD3 LYS 70 HD3 LYS 70 -13.708 6.282 12.125 578 HE2 LYS 70 HE2 LYS 70 -14.637 6.330 9.223 579 HE3 LYS 70 HE3 LYS 70 -15.730 6.694 10.561 580 HZ1 LYS 70 HZ1 LYS 70 -14.259 8.475 11.247 581 HZ2 LYS 70 HZ2 LYS 70 -14.743 8.688 9.664 582 HZ3 LYS 70 HZ3 LYS 70 -13.245 8.177 10.000 583 H LYS 71 H LYS 71 -11.565 1.346 8.087 584 HA LYS 71 HA LYS 71 -11.499 -0.682 10.124 585 HB2 LYS 71 HB2 LYS 71 -12.617 -0.883 7.897 586 HB3 LYS 71 HB3 LYS 71 -11.049 -0.852 7.108 587 HG2 LYS 71 HG2 LYS 71 -11.057 -3.075 7.228 588 HG3 LYS 71 HG3 LYS 71 -10.706 -2.903 8.947 589 HD2 LYS 71 HD2 LYS 71 -12.538 -4.376 8.791 590 HD3 LYS 71 HD3 LYS 71 -13.157 -2.838 9.417 591 HE2 LYS 71 HE2 LYS 71 -14.622 -2.640 7.714 592 HE3 LYS 71 HE3 LYS 71 -13.316 -2.776 6.525 593 HZ1 LYS 71 HZ1 LYS 71 -13.501 -5.125 6.606 594 HZ2 LYS 71 HZ2 LYS 71 -15.013 -4.508 6.323 595 HZ3 LYS 71 HZ3 LYS 71 -14.605 -5.086 7.818 596 H PHE 72 H PHE 72 -9.124 0.189 7.546 597 HA PHE 72 HA PHE 72 -7.225 -1.706 8.545 598 HB2 PHE 72 HB2 PHE 72 -7.252 0.357 6.326 599 HB3 PHE 72 HB3 PHE 72 -5.776 -0.484 6.756 600 HD1 PHE 72 HD1 PHE 72 -5.853 -3.052 6.908 601 HD2 PHE 72 HD2 PHE 72 -8.725 -0.754 4.701 602 HE1 PHE 72 HE1 PHE 72 -6.336 -5.038 5.478 603 HE2 PHE 72 HE2 PHE 72 -9.243 -2.742 3.306 604 HZ PHE 72 HZ PHE 72 -8.054 -4.898 3.713 605 H SER 73 H SER 73 -7.692 1.745 9.290 606 HA SER 73 HA SER 73 -5.070 2.323 10.080 607 HB2 SER 73 HB2 SER 73 -6.090 4.218 11.245 608 HB3 SER 73 HB3 SER 73 -6.762 3.995 9.638 609 HG SER 73 HG SER 73 -8.294 4.445 11.331 610 H LYS 74 H LYS 74 -6.830 -0.154 11.491 611 HA LYS 74 HA LYS 74 -6.128 0.354 14.267 612 HB2 LYS 74 HB2 LYS 74 -7.180 -2.071 12.785 613 HB3 LYS 74 HB3 LYS 74 -6.546 -2.217 14.426 614 HG2 LYS 74 HG2 LYS 74 -8.202 0.032 14.591 615 HG3 LYS 74 HG3 LYS 74 -9.065 -1.028 13.485 616 HD2 LYS 74 HD2 LYS 74 -8.054 -1.700 16.280 617 HD3 LYS 74 HD3 LYS 74 -9.712 -1.236 15.880 618 HE2 LYS 74 HE2 LYS 74 -9.868 -3.292 14.410 619 HE3 LYS 74 HE3 LYS 74 -8.267 -3.770 14.994 620 HZ1 LYS 74 HZ1 LYS 74 -9.277 -3.621 17.286 621 HZ2 LYS 74 HZ2 LYS 74 -9.898 -4.840 16.339 622 HZ3 LYS 74 HZ3 LYS 74 -10.739 -3.461 16.587 623 H LYS 75 H LYS 75 -4.396 -1.278 11.584 624 HA LYS 75 HA LYS 75 -2.026 -1.365 13.354 625 HB2 LYS 75 HB2 LYS 75 -3.677 -3.535 13.390 626 HB3 LYS 75 HB3 LYS 75 -2.728 -3.950 11.980 627 HG2 LYS 75 HG2 LYS 75 -1.578 -4.982 13.752 628 HG3 LYS 75 HG3 LYS 75 -0.630 -3.519 13.467 629 HD2 LYS 75 HD2 LYS 75 -1.974 -2.429 15.350 630 HD3 LYS 75 HD3 LYS 75 -2.669 -4.017 15.690 631 HE2 LYS 75 HE2 LYS 75 0.319 -3.369 15.721 632 HE3 LYS 75 HE3 LYS 75 -0.733 -3.295 17.134 633 HZ1 LYS 75 HZ1 LYS 75 0.430 -5.327 17.071 634 HZ2 LYS 75 HZ2 LYS 75 -0.166 -5.740 15.599 635 HZ3 LYS 75 HZ3 LYS 75 -1.177 -5.629 16.915 636 H ILE 76 H ILE 76 -2.995 -0.208 10.656 637 HA ILE 76 HA ILE 76 -0.528 -0.881 9.203 638 HB ILE 76 HB ILE 76 -3.174 -0.740 7.704 639 HG12 ILE 76 HG12 ILE 76 -1.773 -3.237 8.741 640 HG13 ILE 76 HG13 ILE 76 -3.425 -2.708 9.095 641 HG21 ILE 76 HG21 ILE 76 -1.126 -0.243 6.463 642 HG22 ILE 76 HG22 ILE 76 -0.392 -1.773 7.023 643 HG23 ILE 76 HG23 ILE 76 -1.765 -1.792 5.916 644 HD11 ILE 76 HD11 ILE 76 -3.761 -4.400 7.550 645 HD12 ILE 76 HD12 ILE 76 -3.755 -2.959 6.499 646 HD13 ILE 76 HD13 ILE 76 -2.321 -3.990 6.620 647 H GLU 77 H GLU 77 0.442 0.870 8.408 648 HA GLU 77 HA GLU 77 -0.622 3.512 9.058 649 HB2 GLU 77 HB2 GLU 77 2.035 2.452 8.004 650 HB3 GLU 77 HB3 GLU 77 1.731 4.164 8.381 651 HG2 GLU 77 HG2 GLU 77 1.361 3.717 10.684 652 HG3 GLU 77 HG3 GLU 77 1.268 1.987 10.439 653 H ILE 78 H ILE 78 -1.562 4.904 7.520 654 HA ILE 78 HA ILE 78 -1.585 3.878 4.720 655 HB ILE 78 HB ILE 78 -3.693 5.601 6.073 656 HG12 ILE 78 HG12 ILE 78 -3.509 2.588 5.672 657 HG13 ILE 78 HG13 ILE 78 -3.623 3.454 7.194 658 HG21 ILE 78 HG21 ILE 78 -5.071 5.066 4.087 659 HG22 ILE 78 HG22 ILE 78 -3.569 5.820 3.577 660 HG23 ILE 78 HG23 ILE 78 -3.770 4.068 3.419 661 HD11 ILE 78 HD11 ILE 78 -5.727 2.453 6.817 662 HD12 ILE 78 HD12 ILE 78 -5.927 4.204 6.598 663 HD13 ILE 78 HD13 ILE 78 -5.835 3.114 5.183 664 H TYR 79 H TYR 79 -0.645 5.010 3.184 665 HA TYR 79 HA TYR 79 0.381 7.740 3.738 666 HB2 TYR 79 HB2 TYR 79 1.588 5.291 2.450 667 HB3 TYR 79 HB3 TYR 79 2.269 6.895 2.260 668 HD1 TYR 79 HD1 TYR 79 3.330 8.078 4.102 669 HD2 TYR 79 HD2 TYR 79 1.721 4.122 4.668 670 HE1 TYR 79 HE1 TYR 79 4.779 7.802 6.073 671 HE2 TYR 79 HE2 TYR 79 3.257 3.801 6.616 672 HH TYR 79 HH TYR 79 5.697 5.057 7.392 673 H HIS 80 H HIS 80 0.582 9.221 2.049 674 HA HIS 80 HA HIS 80 -1.403 8.767 -0.060 675 HB2 HIS 80 HB2 HIS 80 -1.209 10.884 1.415 676 HB3 HIS 80 HB3 HIS 80 0.210 11.287 0.467 677 HD1 HIS 80 HD1 HIS 80 -0.895 13.391 -0.781 678 HD2 HIS 80 HD2 HIS 80 -2.953 9.730 -1.223 679 HE1 HIS 80 HE1 HIS 80 -2.694 13.716 -2.619 680 H ALA 81 H ALA 81 -0.973 8.839 -2.229 681 HA ALA 81 HA ALA 81 1.762 8.443 -3.100 682 HB1 ALA 81 HB1 ALA 81 -0.847 8.089 -4.314 683 HB2 ALA 81 HB2 ALA 81 0.177 9.032 -5.404 684 HB3 ALA 81 HB3 ALA 81 0.763 7.474 -4.821 685 H GLU 82 H GLU 82 3.214 9.919 -3.720 686 HA GLU 82 HA GLU 82 2.393 12.726 -4.140 687 HB2 GLU 82 HB2 GLU 82 5.079 11.346 -3.781 688 HB3 GLU 82 HB3 GLU 82 4.863 13.057 -4.149 689 HG2 GLU 82 HG2 GLU 82 3.139 12.875 -2.051 690 HG3 GLU 82 HG3 GLU 82 4.259 11.594 -1.606 691 H GLY 83 H GLY 83 1.836 10.461 -6.192 692 HA2 GLY 83 HA2 GLY 83 2.206 11.845 -8.606 693 HA3 GLY 83 HA3 GLY 83 3.647 10.918 -8.359 694 H ASP 84 H ASP 84 2.807 10.007 -10.396 695 HA ASP 84 HA ASP 84 1.033 7.659 -9.892 696 HB2 ASP 84 HB2 ASP 84 1.680 8.762 -12.629 697 HB3 ASP 84 HB3 ASP 84 0.386 7.659 -12.140 698 H ASP 85 H ASP 85 4.166 8.549 -9.928 699 HA ASP 85 HA ASP 85 5.266 6.233 -11.490 700 HB2 ASP 85 HB2 ASP 85 6.369 8.711 -11.115 701 HB3 ASP 85 HB3 ASP 85 6.911 7.989 -9.721 702 H VAL 86 H VAL 86 4.824 4.357 -10.339 703 HA VAL 86 HA VAL 86 4.621 4.054 -7.502 704 HB VAL 86 HB VAL 86 5.352 2.137 -9.752 705 HG11 VAL 86 HG11 VAL 86 5.056 1.496 -6.778 706 HG12 VAL 86 HG12 VAL 86 4.972 0.282 -8.079 707 HG13 VAL 86 HG13 VAL 86 6.457 1.199 -7.824 708 HG21 VAL 86 HG21 VAL 86 2.907 2.128 -7.937 709 HG22 VAL 86 HG22 VAL 86 2.950 2.978 -9.509 710 HG23 VAL 86 HG23 VAL 86 3.184 1.229 -9.454 711 H ASP 87 H ASP 87 7.373 4.048 -9.796 712 HA ASP 87 HA ASP 87 9.232 2.837 -8.033 713 HB2 ASP 87 HB2 ASP 87 9.907 4.729 -10.320 714 HB3 ASP 87 HB3 ASP 87 10.969 3.570 -9.581 715 H LYS 88 H LYS 88 8.663 6.316 -8.836 716 HA LYS 88 HA LYS 88 10.435 7.364 -6.846 717 HB2 LYS 88 HB2 LYS 88 9.483 8.574 -8.786 718 HB3 LYS 88 HB3 LYS 88 7.892 8.419 -8.094 719 HG2 LYS 88 HG2 LYS 88 9.101 10.668 -7.996 720 HG3 LYS 88 HG3 LYS 88 8.090 10.102 -6.673 721 HD2 LYS 88 HD2 LYS 88 9.767 9.872 -5.210 722 HD3 LYS 88 HD3 LYS 88 11.021 9.525 -6.413 723 HE2 LYS 88 HE2 LYS 88 9.694 12.248 -6.220 724 HE3 LYS 88 HE3 LYS 88 11.015 11.820 -5.130 725 HZ1 LYS 88 HZ1 LYS 88 11.234 11.747 -8.085 726 HZ2 LYS 88 HZ2 LYS 88 12.456 11.483 -7.007 727 HZ3 LYS 88 HZ3 LYS 88 11.778 12.962 -7.144 728 H ASN 89 H ASN 89 7.081 6.115 -6.484 729 HA ASN 89 HA ASN 89 6.710 7.348 -3.873 730 HB2 ASN 89 HB2 ASN 89 5.247 5.213 -5.460 731 HB3 ASN 89 HB3 ASN 89 4.945 5.420 -3.744 732 HD21 ASN 89 HD21 ASN 89 5.137 7.386 -6.736 733 HD22 ASN 89 HD22 ASN 89 4.095 8.671 -6.167 734 H ILE 90 H ILE 90 8.133 4.365 -5.075 735 HA ILE 90 HA ILE 90 8.121 2.951 -2.566 736 HB ILE 90 HB ILE 90 9.702 2.638 -5.145 737 HG12 ILE 90 HG12 ILE 90 7.601 0.809 -3.875 738 HG13 ILE 90 HG13 ILE 90 7.234 2.020 -5.074 739 HG21 ILE 90 HG21 ILE 90 10.516 0.447 -4.163 740 HG22 ILE 90 HG22 ILE 90 11.197 1.870 -3.420 741 HG23 ILE 90 HG23 ILE 90 9.886 1.021 -2.578 742 HD11 ILE 90 HD11 ILE 90 9.029 -0.404 -5.496 743 HD12 ILE 90 HD12 ILE 90 7.436 -0.103 -6.183 744 HD13 ILE 90 HD13 ILE 90 8.806 0.910 -6.677 745 H SER 91 H SER 91 10.649 4.971 -4.277 746 HA SER 91 HA SER 91 12.505 4.564 -2.177 747 HB2 SER 91 HB2 SER 91 13.751 6.447 -3.223 748 HB3 SER 91 HB3 SER 91 13.285 5.151 -4.326 749 HG SER 91 HG SER 91 12.891 7.018 -5.334 750 H LEU 92 H LEU 92 9.979 7.050 -2.592 751 HA LEU 92 HA LEU 92 10.802 8.697 -0.362 752 HB2 LEU 92 HB2 LEU 92 8.104 8.219 -1.692 753 HB3 LEU 92 HB3 LEU 92 8.346 9.382 -0.395 754 HG LEU 92 HG LEU 92 9.882 9.527 -3.002 755 HD11 LEU 92 HD11 LEU 92 7.295 10.960 -2.229 756 HD12 LEU 92 HD12 LEU 92 7.449 9.697 -3.469 757 HD13 LEU 92 HD13 LEU 92 8.251 11.261 -3.687 758 HD21 LEU 92 HD21 LEU 92 9.318 11.672 -0.917 759 HD22 LEU 92 HD22 LEU 92 10.295 11.850 -2.382 760 HD23 LEU 92 HD23 LEU 92 10.857 10.801 -1.077 761 H PHE 93 H PHE 93 8.566 5.910 -0.687 762 HA PHE 93 HA PHE 93 7.567 5.971 1.915 763 HB2 PHE 93 HB2 PHE 93 6.505 4.616 0.258 764 HB3 PHE 93 HB3 PHE 93 7.958 3.673 -0.017 765 HD1 PHE 93 HD2 PHE 93 5.489 4.521 2.707 766 HD2 PHE 93 HD1 PHE 93 8.328 1.676 1.139 767 HE1 PHE 93 HE2 PHE 93 4.874 2.923 4.497 768 HE2 PHE 93 HE1 PHE 93 7.722 0.091 2.942 769 HZ PHE 93 HZ PHE 93 5.938 0.666 4.563 770 H ILE 94 H ILE 94 10.421 4.310 0.619 771 HA ILE 94 HA ILE 94 11.082 2.784 2.913 772 HB ILE 94 HB ILE 94 12.686 3.791 0.533 773 HG12 ILE 94 HG12 ILE 94 11.894 0.929 1.256 774 HG13 ILE 94 HG13 ILE 94 10.808 1.973 0.353 775 HG21 ILE 94 HG21 ILE 94 14.299 3.485 2.364 776 HG22 ILE 94 HG22 ILE 94 13.604 1.891 2.730 777 HG23 ILE 94 HG23 ILE 94 14.468 2.186 1.206 778 HD11 ILE 94 HD11 ILE 94 12.042 0.571 -1.191 779 HD12 ILE 94 HD12 ILE 94 12.520 2.266 -1.417 780 HD13 ILE 94 HD13 ILE 94 13.590 1.142 -0.560 781 H GLU 95 H GLU 95 12.231 6.070 1.904 782 HA GLU 95 HA GLU 95 13.884 6.423 4.236 783 HB2 GLU 95 HB2 GLU 95 12.767 8.215 2.084 784 HB3 GLU 95 HB3 GLU 95 13.463 8.958 3.512 785 HG2 GLU 95 HG2 GLU 95 15.136 6.773 2.323 786 HG3 GLU 95 HG3 GLU 95 14.878 8.148 1.283 787 H GLY 96 H GLY 96 10.420 7.076 3.613 788 HA2 GLY 96 HA2 GLY 96 8.931 7.014 5.604 789 HA3 GLY 96 HA3 GLY 96 10.148 7.923 6.481 790 H GLU 97 H GLU 97 9.912 9.009 3.252 791 HA GLU 97 HA GLU 97 9.275 11.612 4.225 792 HB2 GLU 97 HB2 GLU 97 10.324 10.303 1.797 793 HB3 GLU 97 HB3 GLU 97 9.239 11.622 1.383 794 HG2 GLU 97 HG2 GLU 97 11.246 12.241 3.511 795 HG3 GLU 97 HG3 GLU 97 11.899 11.894 1.911 796 H LEU 98 H LEU 98 7.298 9.126 2.750 797 HA LEU 98 HA LEU 98 5.333 10.885 1.534 798 HB2 LEU 98 HB2 LEU 98 5.061 8.032 2.570 799 HB3 LEU 98 HB3 LEU 98 3.830 8.875 1.635 800 HG LEU 98 HG LEU 98 6.600 8.071 0.626 801 HD11 LEU 98 HD11 LEU 98 5.322 6.473 -0.734 802 HD12 LEU 98 HD12 LEU 98 3.800 7.071 -0.037 803 HD13 LEU 98 HD13 LEU 98 4.973 6.222 0.991 804 HD21 LEU 98 HD21 LEU 98 5.707 8.726 -1.615 805 HD22 LEU 98 HD22 LEU 98 5.866 10.120 -0.533 806 HD23 LEU 98 HD23 LEU 98 4.270 9.400 -0.830 807 H SER 99 H SER 99 3.470 11.770 2.339 808 HA SER 99 HA SER 99 3.270 11.919 5.251 809 HB2 SER 99 HB2 SER 99 2.277 13.460 2.999 810 HB3 SER 99 HB3 SER 99 0.942 13.022 4.083 811 HG SER 99 HG SER 99 3.331 14.421 4.682 812 H LYS 100 H LYS 100 1.893 10.839 6.503 813 HA LYS 100 HA LYS 100 0.336 8.654 5.413 814 HB2 LYS 100 HB2 LYS 100 0.257 9.909 8.157 815 HB3 LYS 100 HB3 LYS 100 -0.678 8.501 7.634 816 HG2 LYS 100 HG2 LYS 100 1.594 7.458 6.928 817 HG3 LYS 100 HG3 LYS 100 2.340 8.719 7.923 818 HD2 LYS 100 HD2 LYS 100 0.505 6.445 8.725 819 HD3 LYS 100 HD3 LYS 100 2.139 6.771 9.302 820 HE2 LYS 100 HE2 LYS 100 -0.386 8.397 9.907 821 HE3 LYS 100 HE3 LYS 100 0.414 7.271 10.990 822 HZ1 LYS 100 HZ1 LYS 100 1.055 9.352 11.615 823 HZ2 LYS 100 HZ2 LYS 100 1.438 9.891 10.101 824 HZ3 LYS 100 HZ3 LYS 100 2.391 8.758 10.828 825 H ILE 101 H ILE 101 -1.789 8.732 4.806 826 HA ILE 101 HA ILE 101 -3.024 11.272 4.108 827 HB ILE 101 HB ILE 101 -4.127 8.423 4.277 828 HG12 ILE 101 HG12 ILE 101 -3.285 10.123 1.887 829 HG13 ILE 101 HG13 ILE 101 -2.401 8.748 2.559 830 HG21 ILE 101 HG21 ILE 101 -6.081 9.216 3.029 831 HG22 ILE 101 HG22 ILE 101 -5.943 10.102 4.536 832 HG23 ILE 101 HG23 ILE 101 -5.442 10.878 3.013 833 HD11 ILE 101 HD11 ILE 101 -4.431 7.307 2.000 834 HD12 ILE 101 HD12 ILE 101 -5.025 8.690 1.049 835 HD13 ILE 101 HD13 ILE 101 -3.485 7.927 0.631 836 H SER 102 H SER 102 -4.057 12.606 5.578 837 HA SER 102 HA SER 102 -4.905 11.464 8.185 838 HB2 SER 102 HB2 SER 102 -5.173 13.873 8.802 839 HB3 SER 102 HB3 SER 102 -3.513 13.332 8.522 840 HG SER 102 HG SER 102 -5.138 14.820 6.705 841 H ASN 103 H ASN 103 -6.800 10.509 7.767 842 HA ASN 103 HA ASN 103 -8.986 10.224 7.479 843 HB2 ASN 103 HB2 ASN 103 -9.227 13.215 6.943 844 HB3 ASN 103 HB3 ASN 103 -10.557 12.132 7.181 845 HD21 ASN 103 HD21 ASN 103 -9.928 14.507 8.723 846 HD22 ASN 103 HD22 ASN 103 -10.003 13.965 10.359 847 HA PRO 104 HA PRO 104 -10.020 10.310 2.970 848 HB2 PRO 104 HB2 PRO 104 -12.737 10.218 3.144 849 HB3 PRO 104 HB3 PRO 104 -11.714 8.763 3.395 850 HG2 PRO 104 HG2 PRO 104 -12.836 10.636 5.517 851 HG3 PRO 104 HG3 PRO 104 -12.945 8.851 5.464 852 HD2 PRO 104 HD2 PRO 104 -11.043 10.032 6.911 853 HD3 PRO 104 HD3 PRO 104 -10.627 8.591 5.945 Start of MODEL 11 1 H1 GLY -2 H GLY -2 19.067 4.225 6.132 2 HA2 GLY -2 HA2 GLY -2 16.891 3.176 6.047 3 HA3 GLY -2 HA3 GLY -2 17.956 2.458 4.837 4 H HIS -1 H HIS -1 18.932 0.398 5.292 5 HA HIS -1 HA HIS -1 18.777 -1.729 5.653 6 HB2 HIS -1 HB2 HIS -1 19.718 -2.355 7.693 7 HB3 HIS -1 HB3 HIS -1 20.246 -0.718 7.421 8 HD1 HIS -1 HD1 HIS -1 19.321 1.153 9.277 9 HD2 HIS -1 HD2 HIS -1 18.136 -2.878 9.768 10 HE1 HIS -1 HE1 HIS -1 18.316 0.974 11.585 11 H MET 1 H MET 1 15.884 -0.492 6.156 12 HA MET 1 HA MET 1 14.498 -2.105 7.864 13 HB2 MET 1 HB2 MET 1 13.537 -0.200 6.428 14 HB3 MET 1 HB3 MET 1 13.528 -1.385 5.088 15 HG2 MET 1 HG2 MET 1 11.321 -1.128 6.252 16 HG3 MET 1 HG3 MET 1 11.942 -2.774 6.221 17 HE1 MET 1 HE1 MET 1 9.459 -2.288 8.093 18 HE2 MET 1 HE2 MET 1 10.415 -3.778 7.875 19 HE3 MET 1 HE3 MET 1 10.071 -3.184 9.505 20 H ILE 2 H ILE 2 14.053 -4.257 8.034 21 HA ILE 2 HA ILE 2 13.814 -5.972 5.634 22 HB ILE 2 HB ILE 2 14.598 -6.530 8.507 23 HG12 ILE 2 HG12 ILE 2 16.479 -7.034 6.212 24 HG13 ILE 2 HG13 ILE 2 16.314 -5.379 6.706 25 HG21 ILE 2 HG21 ILE 2 15.232 -8.826 7.635 26 HG22 ILE 2 HG22 ILE 2 13.501 -8.473 7.744 27 HG23 ILE 2 HG23 ILE 2 14.333 -8.415 6.170 28 HD11 ILE 2 HD11 ILE 2 18.156 -6.382 7.884 29 HD12 ILE 2 HD12 ILE 2 16.871 -5.971 9.031 30 HD13 ILE 2 HD13 ILE 2 17.096 -7.663 8.514 31 H ASN 3 H ASN 3 12.062 -7.508 5.700 32 HA ASN 3 HA ASN 3 10.043 -8.238 5.972 33 HB2 ASN 3 HB2 ASN 3 10.999 -9.022 8.146 34 HB3 ASN 3 HB3 ASN 3 10.282 -7.608 8.901 35 HD21 ASN 3 HD21 ASN 3 8.642 -8.373 10.095 36 HD22 ASN 3 HD22 ASN 3 7.276 -9.296 9.517 37 H MET 4 H MET 4 10.187 -5.445 5.189 38 HA MET 4 HA MET 4 7.858 -4.145 6.485 39 HB2 MET 4 HB2 MET 4 9.850 -2.839 5.681 40 HB3 MET 4 HB3 MET 4 9.538 -3.448 4.075 41 HG2 MET 4 HG2 MET 4 8.581 -1.443 3.844 42 HG3 MET 4 HG3 MET 4 7.166 -2.268 4.483 43 HE1 MET 4 HE1 MET 4 9.909 0.824 6.466 44 HE2 MET 4 HE2 MET 4 10.107 0.002 4.906 45 HE3 MET 4 HE3 MET 4 8.970 1.337 5.066 46 H LYS 5 H LYS 5 5.870 -4.039 5.319 47 HA LYS 5 HA LYS 5 5.761 -5.201 2.603 48 HB2 LYS 5 HB2 LYS 5 4.201 -6.154 5.022 49 HB3 LYS 5 HB3 LYS 5 3.447 -6.163 3.415 50 HG2 LYS 5 HG2 LYS 5 5.202 -7.608 2.540 51 HG3 LYS 5 HG3 LYS 5 6.053 -7.517 4.111 52 HD2 LYS 5 HD2 LYS 5 4.096 -8.499 5.249 53 HD3 LYS 5 HD3 LYS 5 3.279 -8.705 3.667 54 HE2 LYS 5 HE2 LYS 5 4.962 -10.211 2.912 55 HE3 LYS 5 HE3 LYS 5 6.076 -9.731 4.223 56 HZ1 LYS 5 HZ1 LYS 5 4.796 -11.916 4.490 57 HZ2 LYS 5 HZ2 LYS 5 3.477 -10.975 4.811 58 HZ3 LYS 5 HZ3 LYS 5 4.803 -10.868 5.755 59 H VAL 6 H VAL 6 4.370 -4.038 1.280 60 HA VAL 6 HA VAL 6 2.567 -2.100 2.607 61 HB VAL 6 HB VAL 6 4.743 -1.486 0.592 62 HG11 VAL 6 HG11 VAL 6 2.745 -0.362 -0.225 63 HG12 VAL 6 HG12 VAL 6 2.390 0.251 1.415 64 HG13 VAL 6 HG13 VAL 6 3.833 0.779 0.514 65 HG21 VAL 6 HG21 VAL 6 5.103 0.345 2.297 66 HG22 VAL 6 HG22 VAL 6 4.120 -0.625 3.411 67 HG23 VAL 6 HG23 VAL 6 5.630 -1.284 2.746 68 H ALA 7 H ALA 7 0.643 -1.940 1.647 69 HA ALA 7 HA ALA 7 0.156 -3.366 -0.917 70 HB1 ALA 7 HB1 ALA 7 -1.430 -3.819 0.957 71 HB2 ALA 7 HB2 ALA 7 -1.776 -2.085 1.072 72 HB3 ALA 7 HB3 ALA 7 -2.236 -2.979 -0.382 73 H ILE 8 H ILE 8 0.747 -2.071 -2.647 74 HA ILE 8 HA ILE 8 0.010 0.795 -2.548 75 HB ILE 8 HB ILE 8 1.518 -0.714 -4.707 76 HG12 ILE 8 HG12 ILE 8 2.552 1.049 -2.446 77 HG13 ILE 8 HG13 ILE 8 2.821 -0.684 -2.620 78 HG21 ILE 8 HG21 ILE 8 1.154 2.285 -4.247 79 HG22 ILE 8 HG22 ILE 8 2.035 1.523 -5.590 80 HG23 ILE 8 HG23 ILE 8 0.300 1.337 -5.477 81 HD11 ILE 8 HD11 ILE 8 4.801 0.486 -3.285 82 HD12 ILE 8 HD12 ILE 8 4.081 -0.273 -4.723 83 HD13 ILE 8 HD13 ILE 8 3.925 1.487 -4.435 84 H SER 9 H SER 9 -2.086 1.355 -3.404 85 HA SER 9 HA SER 9 -3.686 -0.584 -4.817 86 HB2 SER 9 HB2 SER 9 -5.027 1.501 -5.262 87 HB3 SER 9 HB3 SER 9 -4.561 1.360 -3.623 88 HG SER 9 HG SER 9 -2.754 2.571 -5.365 89 H MET 10 H MET 10 -3.528 -1.238 -7.036 90 HA MET 10 HA MET 10 -2.300 0.707 -8.913 91 HB2 MET 10 HB2 MET 10 -1.975 -2.297 -8.980 92 HB3 MET 10 HB3 MET 10 -1.378 -1.164 -10.191 93 HG2 MET 10 HG2 MET 10 -0.155 -0.124 -8.023 94 HG3 MET 10 HG3 MET 10 -0.384 -1.778 -7.434 95 HE1 MET 10 HE1 MET 10 1.041 0.363 -10.396 96 HE2 MET 10 HE2 MET 10 2.223 -0.737 -11.136 97 HE3 MET 10 HE3 MET 10 0.490 -1.029 -11.354 98 H ASP 11 H ASP 11 -2.990 0.444 -11.074 99 HA ASP 11 HA ASP 11 -5.863 -0.389 -11.317 100 HB2 ASP 11 HB2 ASP 11 -4.695 2.091 -11.740 101 HB3 ASP 11 HB3 ASP 11 -4.635 1.429 -13.351 102 H VAL 12 H VAL 12 -2.969 0.044 -13.443 103 HA VAL 12 HA VAL 12 -2.986 -2.763 -14.097 104 HB VAL 12 HB VAL 12 -3.037 -0.631 -16.294 105 HG11 VAL 12 HG11 VAL 12 -1.538 -2.340 -16.957 106 HG12 VAL 12 HG12 VAL 12 -2.516 -3.621 -16.264 107 HG13 VAL 12 HG13 VAL 12 -3.050 -2.774 -17.742 108 HG21 VAL 12 HG21 VAL 12 -5.317 -0.926 -15.615 109 HG22 VAL 12 HG22 VAL 12 -5.097 -1.851 -17.099 110 HG23 VAL 12 HG23 VAL 12 -5.144 -2.684 -15.523 111 H ASP 13 H ASP 13 -1.578 0.267 -15.324 112 HA ASP 13 HA ASP 13 1.019 -0.920 -14.806 113 HB2 ASP 13 HB2 ASP 13 -0.262 -0.447 -17.096 114 HB3 ASP 13 HB3 ASP 13 0.364 1.183 -16.896 115 H LYS 14 H LYS 14 -0.530 1.198 -13.175 116 HA LYS 14 HA LYS 14 1.677 2.587 -12.089 117 HB2 LYS 14 HB2 LYS 14 0.870 4.913 -12.436 118 HB3 LYS 14 HB3 LYS 14 1.436 4.163 -13.901 119 HG2 LYS 14 HG2 LYS 14 -1.440 3.721 -13.565 120 HG3 LYS 14 HG3 LYS 14 -1.088 5.421 -13.418 121 HD2 LYS 14 HD2 LYS 14 -0.159 3.677 -15.756 122 HD3 LYS 14 HD3 LYS 14 -1.722 4.486 -15.694 123 HE2 LYS 14 HE2 LYS 14 -0.442 5.883 -16.968 124 HE3 LYS 14 HE3 LYS 14 -0.536 6.698 -15.410 125 HZ1 LYS 14 HZ1 LYS 14 1.681 6.688 -16.490 126 HZ2 LYS 14 HZ2 LYS 14 1.785 5.076 -16.259 127 HZ3 LYS 14 HZ3 LYS 14 1.734 6.103 -14.968 128 H ILE 15 H ILE 15 0.626 4.236 -10.391 129 HA ILE 15 HA ILE 15 -1.131 2.762 -8.692 130 HB ILE 15 HB ILE 15 -0.311 5.691 -8.720 131 HG12 ILE 15 HG12 ILE 15 0.638 3.266 -7.120 132 HG13 ILE 15 HG13 ILE 15 1.519 4.036 -8.438 133 HG21 ILE 15 HG21 ILE 15 -1.657 4.174 -6.444 134 HG22 ILE 15 HG22 ILE 15 -1.069 5.850 -6.393 135 HG23 ILE 15 HG23 ILE 15 -2.428 5.445 -7.422 136 HD11 ILE 15 HD11 ILE 15 2.547 4.732 -6.438 137 HD12 ILE 15 HD12 ILE 15 1.667 6.128 -7.076 138 HD13 ILE 15 HD13 ILE 15 1.017 5.195 -5.697 139 H SER 16 H SER 16 -3.322 3.031 -8.225 140 HA SER 16 HA SER 16 -5.059 3.783 -10.444 141 HB2 SER 16 HB2 SER 16 -6.747 2.698 -8.910 142 HB3 SER 16 HB3 SER 16 -5.490 1.661 -9.422 143 HG SER 16 HG SER 16 -5.772 2.870 -6.922 144 H ASN 17 H ASN 17 -7.391 4.383 -8.738 145 HA ASN 17 HA ASN 17 -6.634 7.161 -8.061 146 HB2 ASN 17 HB2 ASN 17 -8.374 6.508 -9.959 147 HB3 ASN 17 HB3 ASN 17 -9.484 6.512 -8.589 148 HD21 ASN 17 HD21 ASN 17 -10.064 8.578 -7.687 149 HD22 ASN 17 HD22 ASN 17 -9.318 10.073 -8.263 150 H SER 18 H SER 18 -8.053 4.265 -6.601 151 HA SER 18 HA SER 18 -7.641 5.651 -4.110 152 HB2 SER 18 HB2 SER 18 -9.870 5.455 -3.129 153 HB3 SER 18 HB3 SER 18 -9.834 6.532 -4.537 154 HG SER 18 HG SER 18 -11.585 5.234 -4.880 155 H PHE 19 H PHE 19 -8.781 3.962 -2.312 156 HA PHE 19 HA PHE 19 -7.371 1.428 -2.687 157 HB2 PHE 19 HB2 PHE 19 -7.532 2.729 -0.509 158 HB3 PHE 19 HB3 PHE 19 -9.243 2.320 -0.462 159 HD1 PHE 19 HD2 PHE 19 -9.928 -0.152 -0.276 160 HD2 PHE 19 HD1 PHE 19 -5.862 1.184 0.303 161 HE1 PHE 19 HE2 PHE 19 -9.391 -2.264 0.844 162 HE2 PHE 19 HE1 PHE 19 -5.302 -0.991 1.343 163 HZ PHE 19 HZ PHE 19 -7.059 -2.724 1.627 164 H GLU 20 H GLU 20 -10.705 2.634 -3.057 165 HA GLU 20 HA GLU 20 -11.742 -0.123 -3.392 166 HB2 GLU 20 HB2 GLU 20 -12.898 2.593 -2.950 167 HB3 GLU 20 HB3 GLU 20 -13.803 1.589 -4.084 168 HG2 GLU 20 HG2 GLU 20 -13.010 0.648 -1.305 169 HG3 GLU 20 HG3 GLU 20 -14.513 1.504 -1.659 170 H ASP 21 H ASP 21 -11.017 2.838 -5.247 171 HA ASP 21 HA ASP 21 -11.485 1.405 -7.793 172 HB2 ASP 21 HB2 ASP 21 -12.443 3.680 -7.740 173 HB3 ASP 21 HB3 ASP 21 -10.862 4.352 -7.376 174 H CYS 22 H CYS 22 -9.859 0.154 -6.562 175 HA CYS 22 HA CYS 22 -7.552 0.565 -8.301 176 HB2 CYS 22 HB2 CYS 22 -5.986 -0.578 -6.899 177 HB3 CYS 22 HB3 CYS 22 -6.704 0.725 -5.943 178 HG CYS 22 HG CYS 22 -6.271 -1.552 -4.501 179 H LYS 23 H LYS 23 -6.710 -1.571 -8.955 180 HA LYS 23 HA LYS 23 -8.991 -3.459 -9.459 181 HB2 LYS 23 HB2 LYS 23 -6.557 -2.591 -11.034 182 HB3 LYS 23 HB3 LYS 23 -7.462 -4.027 -11.469 183 HG2 LYS 23 HG2 LYS 23 -8.025 -2.046 -12.839 184 HG3 LYS 23 HG3 LYS 23 -9.397 -2.796 -12.044 185 HD2 LYS 23 HD2 LYS 23 -9.602 -0.979 -10.468 186 HD3 LYS 23 HD3 LYS 23 -8.062 -0.267 -11.035 187 HE2 LYS 23 HE2 LYS 23 -9.225 -0.165 -13.341 188 HE3 LYS 23 HE3 LYS 23 -10.741 -0.474 -12.472 189 HZ1 LYS 23 HZ1 LYS 23 -10.249 1.572 -11.171 190 HZ2 LYS 23 HZ2 LYS 23 -10.341 1.883 -12.765 191 HZ3 LYS 23 HZ3 LYS 23 -8.863 1.792 -12.042 192 H TYR 24 H TYR 24 -5.615 -3.065 -8.363 193 HA TYR 24 HA TYR 24 -5.885 -5.506 -6.911 194 HB2 TYR 24 HB2 TYR 24 -3.846 -6.574 -7.641 195 HB3 TYR 24 HB3 TYR 24 -4.906 -6.381 -9.017 196 HD1 TYR 24 HD1 TYR 24 -4.409 -4.676 -10.776 197 HD2 TYR 24 HD2 TYR 24 -1.620 -5.623 -7.610 198 HE1 TYR 24 HE1 TYR 24 -2.542 -3.791 -12.144 199 HE2 TYR 24 HE2 TYR 24 0.190 -4.714 -8.908 200 HH TYR 24 HH TYR 24 -0.250 -3.253 -12.199 201 H PHE 25 H PHE 25 -3.993 -5.756 -5.473 202 HA PHE 25 HA PHE 25 -2.774 -3.194 -4.627 203 HB2 PHE 25 HB2 PHE 25 -3.339 -5.707 -2.996 204 HB3 PHE 25 HB3 PHE 25 -2.545 -4.259 -2.412 205 HD1 PHE 25 HD1 PHE 25 -3.881 -2.037 -2.465 206 HD2 PHE 25 HD2 PHE 25 -5.629 -5.905 -3.043 207 HE1 PHE 25 HE1 PHE 25 -6.148 -1.083 -1.937 208 HE2 PHE 25 HE2 PHE 25 -7.947 -4.904 -2.563 209 HZ PHE 25 HZ PHE 25 -8.155 -2.568 -1.989 210 H LEU 26 H LEU 26 -0.691 -3.174 -5.124 211 HA LEU 26 HA LEU 26 0.792 -5.666 -5.705 212 HB2 LEU 26 HB2 LEU 26 1.045 -3.541 -7.059 213 HB3 LEU 26 HB3 LEU 26 1.779 -2.784 -5.661 214 HG LEU 26 HG LEU 26 3.452 -3.460 -7.202 215 HD11 LEU 26 HD11 LEU 26 3.672 -5.625 -5.108 216 HD12 LEU 26 HD12 LEU 26 3.779 -3.893 -4.693 217 HD13 LEU 26 HD13 LEU 26 4.923 -4.575 -5.837 218 HD21 LEU 26 HD21 LEU 26 2.561 -6.377 -7.046 219 HD22 LEU 26 HD22 LEU 26 3.831 -5.662 -8.055 220 HD23 LEU 26 HD23 LEU 26 2.149 -5.271 -8.359 221 H ILE 27 H ILE 27 1.278 -6.754 -3.717 222 HA ILE 27 HA ILE 27 1.790 -5.124 -1.325 223 HB ILE 27 HB ILE 27 2.006 -8.111 -1.449 224 HG12 ILE 27 HG12 ILE 27 -0.275 -7.642 -2.042 225 HG13 ILE 27 HG13 ILE 27 -0.167 -8.256 -0.404 226 HG21 ILE 27 HG21 ILE 27 1.804 -6.166 0.877 227 HG22 ILE 27 HG22 ILE 27 1.780 -7.945 1.002 228 HG23 ILE 27 HG23 ILE 27 3.219 -7.125 0.397 229 HD11 ILE 27 HD11 ILE 27 -1.823 -6.474 -0.512 230 HD12 ILE 27 HD12 ILE 27 -0.461 -5.934 0.479 231 HD13 ILE 27 HD13 ILE 27 -0.641 -5.365 -1.203 232 H VAL 28 H VAL 28 3.695 -4.079 -1.626 233 HA VAL 28 HA VAL 28 6.051 -5.272 -2.897 234 HB VAL 28 HB VAL 28 5.834 -2.877 -1.021 235 HG11 VAL 28 HG11 VAL 28 7.918 -2.126 -2.205 236 HG12 VAL 28 HG12 VAL 28 8.170 -3.693 -1.434 237 HG13 VAL 28 HG13 VAL 28 7.872 -3.586 -3.188 238 HG21 VAL 28 HG21 VAL 28 5.815 -1.426 -2.979 239 HG22 VAL 28 HG22 VAL 28 5.690 -2.818 -4.062 240 HG23 VAL 28 HG23 VAL 28 4.360 -2.424 -2.933 241 H ARG 29 H ARG 29 7.764 -6.305 -1.681 242 HA ARG 29 HA ARG 29 7.526 -6.220 1.266 243 HB2 ARG 29 HB2 ARG 29 6.736 -8.403 0.238 244 HB3 ARG 29 HB3 ARG 29 8.357 -8.654 -0.391 245 HG2 ARG 29 HG2 ARG 29 7.631 -8.358 2.564 246 HG3 ARG 29 HG3 ARG 29 7.793 -9.875 1.678 247 HD2 ARG 29 HD2 ARG 29 10.216 -9.115 1.152 248 HD3 ARG 29 HD3 ARG 29 9.955 -7.846 2.360 249 HE ARG 29 HE ARG 29 10.516 -9.352 3.906 250 HH11 ARG 29 HH11 ARG 29 9.625 -11.341 1.120 251 HH12 ARG 29 HH12 ARG 29 9.614 -12.820 2.019 252 HH21 ARG 29 HH21 ARG 29 10.693 -11.292 5.037 253 HH22 ARG 29 HH22 ARG 29 10.305 -12.792 4.299 254 H ILE 30 H ILE 30 8.943 -4.525 1.357 255 HA ILE 30 HA ILE 30 11.618 -4.661 0.167 256 HB ILE 30 HB ILE 30 10.413 -2.920 2.326 257 HG12 ILE 30 HG12 ILE 30 11.448 -1.873 -0.302 258 HG13 ILE 30 HG13 ILE 30 9.824 -2.566 -0.207 259 HG21 ILE 30 HG21 ILE 30 12.511 -1.572 2.240 260 HG22 ILE 30 HG22 ILE 30 12.785 -3.195 2.856 261 HG23 ILE 30 HG23 ILE 30 13.210 -2.799 1.173 262 HD11 ILE 30 HD11 ILE 30 9.204 -1.055 1.609 263 HD12 ILE 30 HD12 ILE 30 10.802 -0.352 1.639 264 HD13 ILE 30 HD13 ILE 30 9.784 -0.121 0.203 265 H ASP 31 H ASP 31 13.218 -5.870 1.049 266 HA ASP 31 HA ASP 31 12.808 -6.840 3.840 267 HB2 ASP 31 HB2 ASP 31 12.346 -8.532 1.816 268 HB3 ASP 31 HB3 ASP 31 14.098 -8.705 1.904 269 H ASP 32 H ASP 32 14.747 -4.962 2.037 270 HA ASP 32 HA ASP 32 16.710 -4.933 4.074 271 HB2 ASP 32 HB2 ASP 32 17.288 -7.016 2.419 272 HB3 ASP 32 HB3 ASP 32 17.921 -5.780 1.380 273 H ASN 33 H ASN 33 15.147 -3.035 3.231 274 HA ASN 33 HA ASN 33 14.858 -0.990 2.205 275 HB2 ASN 33 HB2 ASN 33 17.635 -1.032 3.035 276 HB3 ASN 33 HB3 ASN 33 17.491 -0.123 1.541 277 HD21 ASN 33 HD21 ASN 33 15.191 -0.504 4.289 278 HD22 ASN 33 HD22 ASN 33 15.207 1.200 4.728 279 H GLU 34 H GLU 34 15.659 -3.558 0.445 280 HA GLU 34 HA GLU 34 14.757 -2.065 -1.909 281 HB2 GLU 34 HB2 GLU 34 16.970 -4.090 -1.738 282 HB3 GLU 34 HB3 GLU 34 15.887 -4.261 -3.097 283 HG2 GLU 34 HG2 GLU 34 17.454 -1.755 -2.413 284 HG3 GLU 34 HG3 GLU 34 17.808 -2.889 -3.728 285 H VAL 35 H VAL 35 13.466 -3.234 -3.257 286 HA VAL 35 HA VAL 35 11.444 -4.864 -1.930 287 HB VAL 35 HB VAL 35 10.708 -3.173 -3.421 288 HG11 VAL 35 HG11 VAL 35 12.154 -4.486 -5.759 289 HG12 VAL 35 HG12 VAL 35 11.077 -3.078 -5.814 290 HG13 VAL 35 HG13 VAL 35 12.631 -2.961 -4.996 291 HG21 VAL 35 HG21 VAL 35 10.292 -5.852 -4.791 292 HG22 VAL 35 HG22 VAL 35 9.438 -5.305 -3.331 293 HG23 VAL 35 HG23 VAL 35 9.247 -4.426 -4.869 294 H LYS 36 H LYS 36 11.922 -6.971 -1.532 295 HA LYS 36 HA LYS 36 13.811 -8.320 -3.412 296 HB2 LYS 36 HB2 LYS 36 12.756 -9.344 -0.775 297 HB3 LYS 36 HB3 LYS 36 13.968 -10.102 -1.798 298 HG2 LYS 36 HG2 LYS 36 14.165 -7.575 -0.160 299 HG3 LYS 36 HG3 LYS 36 15.169 -9.037 -0.096 300 HD2 LYS 36 HD2 LYS 36 16.047 -8.343 -2.434 301 HD3 LYS 36 HD3 LYS 36 15.194 -6.821 -2.179 302 HE2 LYS 36 HE2 LYS 36 17.327 -6.334 -1.440 303 HE3 LYS 36 HE3 LYS 36 16.411 -6.607 0.044 304 HZ1 LYS 36 HZ1 LYS 36 17.954 -8.816 -1.174 305 HZ2 LYS 36 HZ2 LYS 36 17.609 -8.561 0.432 306 HZ3 LYS 36 HZ3 LYS 36 18.707 -7.631 -0.296 307 H SER 37 H SER 37 10.378 -8.387 -2.652 308 HA SER 37 HA SER 37 10.017 -9.621 -5.221 309 HB2 SER 37 HB2 SER 37 8.813 -10.920 -2.729 310 HB3 SER 37 HB3 SER 37 8.102 -11.080 -4.329 311 HG SER 37 HG SER 37 9.398 -12.818 -3.804 312 H THR 38 H THR 38 7.801 -9.232 -5.962 313 HA THR 38 HA THR 38 6.162 -7.387 -4.326 314 HB THR 38 HB THR 38 5.280 -6.712 -6.615 315 HG1 THR 38 HG1 THR 38 5.969 -8.039 -8.081 316 HG21 THR 38 HG21 THR 38 7.043 -5.127 -7.089 317 HG22 THR 38 HG22 THR 38 8.255 -6.133 -6.271 318 HG23 THR 38 HG23 THR 38 6.983 -5.330 -5.328 319 H LYS 39 H LYS 39 3.988 -8.029 -4.154 320 HA LYS 39 HA LYS 39 3.172 -10.559 -5.508 321 HB2 LYS 39 HB2 LYS 39 2.752 -9.504 -2.712 322 HB3 LYS 39 HB3 LYS 39 1.346 -10.209 -3.475 323 HG2 LYS 39 HG2 LYS 39 2.191 -11.831 -2.203 324 HG3 LYS 39 HG3 LYS 39 2.683 -12.320 -3.818 325 HD2 LYS 39 HD2 LYS 39 4.642 -10.671 -2.237 326 HD3 LYS 39 HD3 LYS 39 4.351 -12.305 -1.632 327 HE2 LYS 39 HE2 LYS 39 4.993 -11.796 -4.562 328 HE3 LYS 39 HE3 LYS 39 6.272 -11.951 -3.350 329 HZ1 LYS 39 HZ1 LYS 39 4.237 -14.047 -3.849 330 HZ2 LYS 39 HZ2 LYS 39 5.548 -14.123 -2.857 331 HZ3 LYS 39 HZ3 LYS 39 5.740 -14.012 -4.486 332 H VAL 40 H VAL 40 1.010 -10.586 -6.149 333 HA VAL 40 HA VAL 40 -0.335 -7.919 -6.460 334 HB VAL 40 HB VAL 40 -0.011 -10.228 -8.404 335 HG11 VAL 40 HG11 VAL 40 -1.637 -9.074 -9.895 336 HG12 VAL 40 HG12 VAL 40 -2.408 -9.710 -8.446 337 HG13 VAL 40 HG13 VAL 40 -2.064 -7.970 -8.570 338 HG21 VAL 40 HG21 VAL 40 0.712 -8.412 -9.912 339 HG22 VAL 40 HG22 VAL 40 0.423 -7.215 -8.631 340 HG23 VAL 40 HG23 VAL 40 1.698 -8.428 -8.437 341 H ILE 41 H ILE 41 -2.280 -7.936 -5.457 342 HA ILE 41 HA ILE 41 -3.761 -10.475 -5.036 343 HB ILE 41 HB ILE 41 -3.525 -8.099 -3.126 344 HG12 ILE 41 HG12 ILE 41 -2.550 -10.972 -2.753 345 HG13 ILE 41 HG13 ILE 41 -1.544 -9.529 -2.918 346 HG21 ILE 41 HG21 ILE 41 -5.813 -9.238 -3.325 347 HG22 ILE 41 HG22 ILE 41 -5.051 -10.711 -2.723 348 HG23 ILE 41 HG23 ILE 41 -5.127 -9.243 -1.715 349 HD11 ILE 41 HD11 ILE 41 -2.724 -8.591 -0.860 350 HD12 ILE 41 HD12 ILE 41 -3.390 -10.217 -0.604 351 HD13 ILE 41 HD13 ILE 41 -1.641 -9.992 -0.591 352 H PHE 42 H PHE 42 -5.503 -10.188 -6.496 353 HA PHE 42 HA PHE 42 -6.046 -7.560 -7.576 354 HB2 PHE 42 HB2 PHE 42 -7.660 -10.094 -7.687 355 HB3 PHE 42 HB3 PHE 42 -8.066 -8.620 -8.553 356 HD1 PHE 42 HD2 PHE 42 -6.520 -7.698 -10.331 357 HD2 PHE 42 HD1 PHE 42 -5.783 -11.513 -8.458 358 HE1 PHE 42 HE2 PHE 42 -4.886 -8.256 -12.107 359 HE2 PHE 42 HE1 PHE 42 -4.168 -12.068 -10.248 360 HZ PHE 42 HZ PHE 42 -3.694 -10.438 -12.059 361 H ASN 43 H ASN 43 -8.019 -6.310 -7.281 362 HA ASN 43 HA ASN 43 -8.731 -6.100 -4.435 363 HB2 ASN 43 HB2 ASN 43 -8.381 -4.055 -5.758 364 HB3 ASN 43 HB3 ASN 43 -9.725 -4.515 -6.841 365 HD21 ASN 43 HD21 ASN 43 -10.746 -2.438 -6.151 366 HD22 ASN 43 HD22 ASN 43 -11.608 -2.407 -4.624 367 H ASP 44 H ASP 44 -9.752 -8.130 -4.025 368 HA ASP 44 HA ASP 44 -12.498 -8.377 -5.033 369 HB2 ASP 44 HB2 ASP 44 -10.304 -10.017 -5.897 370 HB3 ASP 44 HB3 ASP 44 -11.122 -10.957 -4.674 371 H GLU 45 H GLU 45 -13.638 -9.877 -3.480 372 HA GLU 45 HA GLU 45 -13.217 -9.131 -0.781 373 HB2 GLU 45 HB2 GLU 45 -15.320 -9.811 -1.832 374 HB3 GLU 45 HB3 GLU 45 -14.719 -11.468 -2.029 375 HG2 GLU 45 HG2 GLU 45 -14.844 -11.940 0.274 376 HG3 GLU 45 HG3 GLU 45 -14.881 -10.224 0.726 377 H SER 46 H SER 46 -12.214 -11.979 -2.611 378 HA SER 46 HA SER 46 -11.173 -13.530 -0.393 379 HB2 SER 46 HB2 SER 46 -11.866 -14.269 -2.777 380 HB3 SER 46 HB3 SER 46 -10.327 -13.607 -3.336 381 HG SER 46 HG SER 46 -10.364 -15.873 -2.848 382 H GLY 47 H GLY 47 -9.780 -11.234 -2.779 383 HA2 GLY 47 HA2 GLY 47 -7.138 -11.214 -2.040 384 HA3 GLY 47 HA3 GLY 47 -8.029 -9.874 -2.735 385 H LYS 48 H LYS 48 -9.626 -8.851 -0.949 386 HA LYS 48 HA LYS 48 -7.904 -7.548 0.895 387 HB2 LYS 48 HB2 LYS 48 -10.913 -7.660 0.567 388 HB3 LYS 48 HB3 LYS 48 -10.178 -6.783 1.922 389 HG2 LYS 48 HG2 LYS 48 -8.920 -5.324 0.432 390 HG3 LYS 48 HG3 LYS 48 -9.425 -6.239 -0.988 391 HD2 LYS 48 HD2 LYS 48 -10.799 -4.332 -0.941 392 HD3 LYS 48 HD3 LYS 48 -11.807 -5.702 -0.461 393 HE2 LYS 48 HE2 LYS 48 -10.530 -4.450 1.886 394 HE3 LYS 48 HE3 LYS 48 -11.364 -3.235 0.911 395 HZ1 LYS 48 HZ1 LYS 48 -12.576 -5.620 2.133 396 HZ2 LYS 48 HZ2 LYS 48 -13.347 -4.673 1.005 397 HZ3 LYS 48 HZ3 LYS 48 -12.903 -4.033 2.431 398 H LYS 49 H LYS 49 -10.130 -10.298 1.343 399 HA LYS 49 HA LYS 49 -9.816 -10.543 4.147 400 HB2 LYS 49 HB2 LYS 49 -10.426 -12.464 1.898 401 HB3 LYS 49 HB3 LYS 49 -9.948 -13.140 3.435 402 HG2 LYS 49 HG2 LYS 49 -11.735 -11.773 4.551 403 HG3 LYS 49 HG3 LYS 49 -12.314 -11.251 2.965 404 HD2 LYS 49 HD2 LYS 49 -11.930 -14.194 3.548 405 HD3 LYS 49 HD3 LYS 49 -13.349 -13.364 4.224 406 HE2 LYS 49 HE2 LYS 49 -14.150 -12.796 2.052 407 HE3 LYS 49 HE3 LYS 49 -12.663 -13.317 1.252 408 HZ1 LYS 49 HZ1 LYS 49 -14.753 -14.867 1.359 409 HZ2 LYS 49 HZ2 LYS 49 -14.182 -15.299 2.836 410 HZ3 LYS 49 HZ3 LYS 49 -13.261 -15.522 1.518 411 H SER 50 H SER 50 -7.669 -11.774 1.522 412 HA SER 50 HA SER 50 -5.779 -12.930 3.352 413 HB2 SER 50 HB2 SER 50 -5.760 -12.230 0.397 414 HB3 SER 50 HB3 SER 50 -4.331 -12.847 1.217 415 HG SER 50 HG SER 50 -5.193 -14.661 0.745 416 H ILE 51 H ILE 51 -6.133 -9.550 2.213 417 HA ILE 51 HA ILE 51 -3.470 -8.720 2.720 418 HB ILE 51 HB ILE 51 -6.066 -7.159 3.047 419 HG12 ILE 51 HG12 ILE 51 -4.022 -7.351 0.774 420 HG13 ILE 51 HG13 ILE 51 -5.654 -7.997 0.753 421 HG21 ILE 51 HG21 ILE 51 -4.781 -5.125 3.017 422 HG22 ILE 51 HG22 ILE 51 -4.102 -6.105 4.295 423 HG23 ILE 51 HG23 ILE 51 -3.279 -6.016 2.729 424 HD11 ILE 51 HD11 ILE 51 -4.824 -5.090 0.680 425 HD12 ILE 51 HD12 ILE 51 -5.764 -6.028 -0.492 426 HD13 ILE 51 HD13 ILE 51 -6.492 -5.591 1.065 427 H VAL 52 H VAL 52 -6.248 -8.852 4.959 428 HA VAL 52 HA VAL 52 -5.017 -8.156 7.351 429 HB VAL 52 HB VAL 52 -7.147 -10.322 7.066 430 HG11 VAL 52 HG11 VAL 52 -8.083 -9.310 9.115 431 HG12 VAL 52 HG12 VAL 52 -6.447 -9.898 9.402 432 HG13 VAL 52 HG13 VAL 52 -6.723 -8.160 9.181 433 HG21 VAL 52 HG21 VAL 52 -7.903 -8.580 5.627 434 HG22 VAL 52 HG22 VAL 52 -8.802 -8.429 7.125 435 HG23 VAL 52 HG23 VAL 52 -7.442 -7.319 6.801 436 H LYS 53 H LYS 53 -4.317 -11.010 5.446 437 HA LYS 53 HA LYS 53 -3.023 -12.229 7.791 438 HB2 LYS 53 HB2 LYS 53 -4.176 -13.483 5.274 439 HB3 LYS 53 HB3 LYS 53 -2.951 -14.279 6.232 440 HG2 LYS 53 HG2 LYS 53 -4.817 -15.197 7.173 441 HG3 LYS 53 HG3 LYS 53 -4.488 -13.873 8.278 442 HD2 LYS 53 HD2 LYS 53 -6.236 -12.514 7.188 443 HD3 LYS 53 HD3 LYS 53 -6.551 -13.793 6.018 444 HE2 LYS 53 HE2 LYS 53 -6.819 -14.155 9.043 445 HE3 LYS 53 HE3 LYS 53 -8.138 -13.582 8.030 446 HZ1 LYS 53 HZ1 LYS 53 -8.069 -15.645 6.788 447 HZ2 LYS 53 HZ2 LYS 53 -8.299 -15.938 8.388 448 HZ3 LYS 53 HZ3 LYS 53 -6.842 -16.212 7.708 449 H GLU 54 H GLU 54 -2.324 -10.493 4.856 450 HA GLU 54 HA GLU 54 0.231 -11.672 4.229 451 HB2 GLU 54 HB2 GLU 54 -1.152 -9.043 3.687 452 HB3 GLU 54 HB3 GLU 54 0.589 -9.059 3.535 453 HG2 GLU 54 HG2 GLU 54 -1.296 -10.919 2.047 454 HG3 GLU 54 HG3 GLU 54 -0.577 -9.436 1.417 455 H ASN 55 H ASN 55 -0.843 -9.509 6.734 456 HA ASN 55 HA ASN 55 0.152 -8.360 8.394 457 HB2 ASN 55 HB2 ASN 55 2.745 -9.875 7.864 458 HB3 ASN 55 HB3 ASN 55 2.409 -8.813 9.211 459 HD21 ASN 55 HD21 ASN 55 1.468 -11.941 7.741 460 HD22 ASN 55 HD22 ASN 55 0.924 -12.624 9.263 461 H VAL 56 H VAL 56 -0.324 -7.010 6.191 462 HA VAL 56 HA VAL 56 2.013 -5.670 5.150 463 HB VAL 56 HB VAL 56 -0.660 -4.295 5.359 464 HG11 VAL 56 HG11 VAL 56 -0.045 -3.410 3.182 465 HG12 VAL 56 HG12 VAL 56 1.283 -3.166 4.312 466 HG13 VAL 56 HG13 VAL 56 1.383 -4.469 3.108 467 HG21 VAL 56 HG21 VAL 56 0.010 -6.545 3.390 468 HG22 VAL 56 HG22 VAL 56 -1.406 -6.449 4.478 469 HG23 VAL 56 HG23 VAL 56 -1.244 -5.325 3.114 470 H ASN 57 H ASN 57 2.842 -3.702 5.741 471 HA ASN 57 HA ASN 57 2.637 -2.945 8.599 472 HB2 ASN 57 HB2 ASN 57 4.788 -3.295 6.762 473 HB3 ASN 57 HB3 ASN 57 4.676 -1.585 6.986 474 HD21 ASN 57 HD21 ASN 57 5.538 -0.732 8.858 475 HD22 ASN 57 HD22 ASN 57 6.071 -1.702 10.206 476 H ALA 58 H ALA 58 2.188 -1.717 5.251 477 HA ALA 58 HA ALA 58 0.812 0.624 6.307 478 HB1 ALA 58 HB1 ALA 58 3.267 0.964 4.555 479 HB2 ALA 58 HB2 ALA 58 2.268 2.238 5.269 480 HB3 ALA 58 HB3 ALA 58 3.265 1.190 6.305 481 H ILE 59 H ILE 59 -0.354 1.780 4.593 482 HA ILE 59 HA ILE 59 -0.703 0.294 2.026 483 HB ILE 59 HB ILE 59 -2.554 1.883 3.842 484 HG12 ILE 59 HG12 ILE 59 -2.752 -0.930 2.713 485 HG13 ILE 59 HG13 ILE 59 -2.001 -0.592 4.250 486 HG21 ILE 59 HG21 ILE 59 -3.214 0.845 1.056 487 HG22 ILE 59 HG22 ILE 59 -4.376 1.548 2.214 488 HG23 ILE 59 HG23 ILE 59 -3.112 2.555 1.535 489 HD11 ILE 59 HD11 ILE 59 -4.102 0.353 5.124 490 HD12 ILE 59 HD12 ILE 59 -4.920 -0.112 3.600 491 HD13 ILE 59 HD13 ILE 59 -4.264 -1.342 4.672 492 H ILE 60 H ILE 60 -0.539 1.607 0.090 493 HA ILE 60 HA ILE 60 -0.207 4.533 0.392 494 HB ILE 60 HB ILE 60 1.563 2.796 -1.363 495 HG12 ILE 60 HG12 ILE 60 2.158 4.184 1.280 496 HG13 ILE 60 HG13 ILE 60 2.125 2.467 1.012 497 HG21 ILE 60 HG21 ILE 60 1.074 5.090 -2.248 498 HG22 ILE 60 HG22 ILE 60 1.650 5.795 -0.727 499 HG23 ILE 60 HG23 ILE 60 2.756 4.924 -1.810 500 HD11 ILE 60 HD11 ILE 60 4.161 4.365 -0.160 501 HD12 ILE 60 HD12 ILE 60 4.404 3.099 1.057 502 HD13 ILE 60 HD13 ILE 60 3.965 2.665 -0.612 503 H CYS 61 H CYS 61 -1.997 5.251 -0.607 504 HA CYS 61 HA CYS 61 -2.485 4.428 -3.368 505 HB2 CYS 61 HB2 CYS 61 -4.755 4.508 -1.369 506 HB3 CYS 61 HB3 CYS 61 -4.851 3.943 -2.981 507 HG CYS 61 HG CYS 61 -5.216 2.050 -1.224 508 H LYS 62 H LYS 62 -4.308 6.001 -4.261 509 HA LYS 62 HA LYS 62 -3.565 8.740 -3.541 510 HB2 LYS 62 HB2 LYS 62 -5.591 7.510 -5.434 511 HB3 LYS 62 HB3 LYS 62 -5.551 9.243 -5.086 512 HG2 LYS 62 HG2 LYS 62 -3.062 9.151 -5.841 513 HG3 LYS 62 HG3 LYS 62 -3.478 7.552 -6.497 514 HD2 LYS 62 HD2 LYS 62 -5.500 8.771 -7.613 515 HD3 LYS 62 HD3 LYS 62 -4.671 10.268 -7.194 516 HE2 LYS 62 HE2 LYS 62 -2.804 9.740 -8.555 517 HE3 LYS 62 HE3 LYS 62 -3.330 8.064 -8.791 518 HZ1 LYS 62 HZ1 LYS 62 -5.031 8.733 -10.194 519 HZ2 LYS 62 HZ2 LYS 62 -3.795 9.695 -10.665 520 HZ3 LYS 62 HZ3 LYS 62 -4.983 10.310 -9.726 521 H ASN 63 H ASN 63 -6.802 7.088 -3.515 522 HA ASN 63 HA ASN 63 -7.482 8.788 -1.119 523 HB2 ASN 63 HB2 ASN 63 -9.314 8.091 -3.446 524 HB3 ASN 63 HB3 ASN 63 -9.836 8.802 -1.946 525 HD21 ASN 63 HD21 ASN 63 -6.898 9.986 -2.776 526 HD22 ASN 63 HD22 ASN 63 -7.237 11.388 -3.769 527 H ILE 64 H ILE 64 -9.412 7.796 0.104 528 HA ILE 64 HA ILE 64 -9.558 4.869 -0.133 529 HB ILE 64 HB ILE 64 -7.548 5.127 1.096 530 HG12 ILE 64 HG12 ILE 64 -9.765 4.461 3.064 531 HG13 ILE 64 HG13 ILE 64 -9.348 3.432 1.697 532 HG21 ILE 64 HG21 ILE 64 -7.269 6.358 3.155 533 HG22 ILE 64 HG22 ILE 64 -7.873 7.478 1.954 534 HG23 ILE 64 HG23 ILE 64 -8.983 6.842 3.168 535 HD11 ILE 64 HD11 ILE 64 -8.313 2.698 3.753 536 HD12 ILE 64 HD12 ILE 64 -7.091 3.116 2.525 537 HD13 ILE 64 HD13 ILE 64 -7.409 4.209 3.894 538 H SER 65 H SER 65 -11.517 4.106 0.507 539 HA SER 65 HA SER 65 -13.631 5.836 1.138 540 HB2 SER 65 HB2 SER 65 -13.381 2.843 1.583 541 HB3 SER 65 HB3 SER 65 -14.874 3.751 1.249 542 HG SER 65 HG SER 65 -14.350 3.129 -0.745 543 H GLU 66 H GLU 66 -14.537 6.362 3.087 544 HA GLU 66 HA GLU 66 -13.363 6.498 5.513 545 HB2 GLU 66 HB2 GLU 66 -15.451 7.622 4.859 546 HB3 GLU 66 HB3 GLU 66 -16.275 6.077 4.781 547 HG2 GLU 66 HG2 GLU 66 -17.097 6.733 6.734 548 HG3 GLU 66 HG3 GLU 66 -15.673 5.954 7.382 549 H GLU 67 H GLU 67 -15.521 3.774 4.572 550 HA GLU 67 HA GLU 67 -15.355 2.495 7.081 551 HB2 GLU 67 HB2 GLU 67 -16.852 2.183 4.791 552 HB3 GLU 67 HB3 GLU 67 -15.823 0.793 4.659 553 HG2 GLU 67 HG2 GLU 67 -16.810 0.958 7.395 554 HG3 GLU 67 HG3 GLU 67 -18.171 1.150 6.281 555 H ASN 68 H ASN 68 -13.423 2.132 4.146 556 HA ASN 68 HA ASN 68 -11.888 -0.189 5.075 557 HB2 ASN 68 HB2 ASN 68 -11.735 1.758 2.739 558 HB3 ASN 68 HB3 ASN 68 -10.283 0.920 3.199 559 HD21 ASN 68 HD21 ASN 68 -12.381 0.722 0.871 560 HD22 ASN 68 HD22 ASN 68 -12.428 -0.985 0.601 561 H TYR 69 H TYR 69 -11.340 3.374 4.912 562 HA TYR 69 HA TYR 69 -8.732 3.406 5.941 563 HB2 TYR 69 HB2 TYR 69 -9.848 5.436 5.064 564 HB3 TYR 69 HB3 TYR 69 -10.923 5.454 6.447 565 HD1 TYR 69 HD2 TYR 69 -7.405 5.900 5.332 566 HD2 TYR 69 HD1 TYR 69 -10.147 6.251 8.643 567 HE1 TYR 69 HE2 TYR 69 -5.698 7.162 6.607 568 HE2 TYR 69 HE1 TYR 69 -8.453 7.454 9.921 569 HH TYR 69 HH TYR 69 -5.504 8.631 8.505 570 H LYS 70 H LYS 70 -11.773 3.817 7.802 571 HA LYS 70 HA LYS 70 -10.526 3.844 10.342 572 HB2 LYS 70 HB2 LYS 70 -13.346 2.993 9.505 573 HB3 LYS 70 HB3 LYS 70 -12.835 3.160 11.191 574 HG2 LYS 70 HG2 LYS 70 -12.319 5.513 10.894 575 HG3 LYS 70 HG3 LYS 70 -12.697 5.420 9.164 576 HD2 LYS 70 HD2 LYS 70 -15.048 4.825 9.688 577 HD3 LYS 70 HD3 LYS 70 -14.684 4.954 11.434 578 HE2 LYS 70 HE2 LYS 70 -14.032 7.307 11.164 579 HE3 LYS 70 HE3 LYS 70 -14.185 7.162 9.420 580 HZ1 LYS 70 HZ1 LYS 70 -16.070 8.245 10.224 581 HZ2 LYS 70 HZ2 LYS 70 -16.408 7.076 11.356 582 HZ3 LYS 70 HZ3 LYS 70 -16.594 6.777 9.765 583 H LYS 71 H LYS 71 -11.633 1.034 8.356 584 HA LYS 71 HA LYS 71 -11.353 -0.849 10.445 585 HB2 LYS 71 HB2 LYS 71 -12.637 -1.224 8.446 586 HB3 LYS 71 HB3 LYS 71 -11.181 -1.249 7.442 587 HG2 LYS 71 HG2 LYS 71 -10.450 -3.287 8.288 588 HG3 LYS 71 HG3 LYS 71 -11.344 -3.150 9.813 589 HD2 LYS 71 HD2 LYS 71 -12.706 -3.371 7.130 590 HD3 LYS 71 HD3 LYS 71 -12.287 -4.819 8.079 591 HE2 LYS 71 HE2 LYS 71 -13.837 -4.377 9.761 592 HE3 LYS 71 HE3 LYS 71 -13.765 -2.639 9.522 593 HZ1 LYS 71 HZ1 LYS 71 -15.055 -2.881 7.509 594 HZ2 LYS 71 HZ2 LYS 71 -15.862 -3.415 8.812 595 HZ3 LYS 71 HZ3 LYS 71 -15.213 -4.495 7.743 596 H PHE 72 H PHE 72 -9.110 0.001 7.766 597 HA PHE 72 HA PHE 72 -7.110 -1.857 8.818 598 HB2 PHE 72 HB2 PHE 72 -7.211 0.082 6.525 599 HB3 PHE 72 HB3 PHE 72 -5.710 -0.716 6.949 600 HD1 PHE 72 HD1 PHE 72 -5.454 -3.177 6.656 601 HD2 PHE 72 HD2 PHE 72 -8.996 -1.130 5.337 602 HE1 PHE 72 HE1 PHE 72 -6.060 -5.127 5.269 603 HE2 PHE 72 HE2 PHE 72 -9.534 -3.009 3.869 604 HZ PHE 72 HZ PHE 72 -8.104 -5.057 3.850 605 H SER 73 H SER 73 -7.693 1.655 9.166 606 HA SER 73 HA SER 73 -5.066 2.429 9.743 607 HB2 SER 73 HB2 SER 73 -6.064 4.496 10.489 608 HB3 SER 73 HB3 SER 73 -6.924 3.949 9.062 609 HG SER 73 HG SER 73 -8.117 4.693 11.061 610 H LYS 74 H LYS 74 -6.945 0.404 11.659 611 HA LYS 74 HA LYS 74 -6.656 1.291 14.258 612 HB2 LYS 74 HB2 LYS 74 -7.781 -0.870 13.441 613 HB3 LYS 74 HB3 LYS 74 -6.180 -1.613 13.525 614 HG2 LYS 74 HG2 LYS 74 -6.117 -0.728 15.990 615 HG3 LYS 74 HG3 LYS 74 -7.834 -0.391 15.763 616 HD2 LYS 74 HD2 LYS 74 -8.047 -2.484 16.640 617 HD3 LYS 74 HD3 LYS 74 -7.833 -2.984 14.957 618 HE2 LYS 74 HE2 LYS 74 -5.376 -3.234 15.399 619 HE3 LYS 74 HE3 LYS 74 -5.647 -2.750 17.089 620 HZ1 LYS 74 HZ1 LYS 74 -6.626 -5.189 15.743 621 HZ2 LYS 74 HZ2 LYS 74 -7.125 -4.751 17.244 622 HZ3 LYS 74 HZ3 LYS 74 -5.570 -5.123 16.985 623 H LYS 75 H LYS 75 -4.199 -0.637 12.444 624 HA LYS 75 HA LYS 75 -2.114 0.999 13.807 625 HB2 LYS 75 HB2 LYS 75 -2.356 -2.008 13.818 626 HB3 LYS 75 HB3 LYS 75 -0.757 -1.271 13.856 627 HG2 LYS 75 HG2 LYS 75 -0.893 -0.746 16.027 628 HG3 LYS 75 HG3 LYS 75 -2.423 0.056 15.835 629 HD2 LYS 75 HD2 LYS 75 -2.795 -1.704 17.384 630 HD3 LYS 75 HD3 LYS 75 -3.593 -2.144 15.871 631 HE2 LYS 75 HE2 LYS 75 -2.455 -4.116 16.687 632 HE3 LYS 75 HE3 LYS 75 -1.574 -3.539 15.263 633 HZ1 LYS 75 HZ1 LYS 75 0.039 -2.517 16.754 634 HZ2 LYS 75 HZ2 LYS 75 -0.115 -4.115 17.084 635 HZ3 LYS 75 HZ3 LYS 75 -0.825 -3.015 18.069 636 H ILE 76 H ILE 76 -3.222 -0.421 10.814 637 HA ILE 76 HA ILE 76 -0.535 -0.461 9.629 638 HB ILE 76 HB ILE 76 -3.324 -0.664 8.420 639 HG12 ILE 76 HG12 ILE 76 -1.113 -2.766 8.591 640 HG13 ILE 76 HG13 ILE 76 -2.358 -2.614 9.827 641 HG21 ILE 76 HG21 ILE 76 -2.176 -1.286 6.315 642 HG22 ILE 76 HG22 ILE 76 -1.803 0.364 6.782 643 HG23 ILE 76 HG23 ILE 76 -0.618 -0.930 7.069 644 HD11 ILE 76 HD11 ILE 76 -4.113 -3.143 8.306 645 HD12 ILE 76 HD12 ILE 76 -3.016 -3.148 6.901 646 HD13 ILE 76 HD13 ILE 76 -2.865 -4.382 8.137 647 H GLU 77 H GLU 77 0.493 1.344 8.972 648 HA GLU 77 HA GLU 77 -0.825 3.941 9.182 649 HB2 GLU 77 HB2 GLU 77 1.968 3.157 8.245 650 HB3 GLU 77 HB3 GLU 77 1.391 4.822 8.429 651 HG2 GLU 77 HG2 GLU 77 0.901 4.430 10.820 652 HG3 GLU 77 HG3 GLU 77 1.497 2.786 10.690 653 H ILE 78 H ILE 78 -1.240 5.366 7.397 654 HA ILE 78 HA ILE 78 -1.549 4.025 4.756 655 HB ILE 78 HB ILE 78 -3.571 5.734 6.282 656 HG12 ILE 78 HG12 ILE 78 -3.852 2.787 5.565 657 HG13 ILE 78 HG13 ILE 78 -3.239 3.300 7.112 658 HG21 ILE 78 HG21 ILE 78 -3.701 6.035 3.803 659 HG22 ILE 78 HG22 ILE 78 -3.874 4.286 3.591 660 HG23 ILE 78 HG23 ILE 78 -5.135 5.229 4.411 661 HD11 ILE 78 HD11 ILE 78 -5.234 4.532 7.652 662 HD12 ILE 78 HD12 ILE 78 -5.985 4.025 6.122 663 HD13 ILE 78 HD13 ILE 78 -5.561 2.814 7.342 664 H TYR 79 H TYR 79 -0.546 5.201 3.233 665 HA TYR 79 HA TYR 79 0.131 8.047 3.819 666 HB2 TYR 79 HB2 TYR 79 1.682 5.827 2.477 667 HB3 TYR 79 HB3 TYR 79 2.167 7.514 2.447 668 HD1 TYR 79 HD2 TYR 79 1.716 4.526 4.714 669 HD2 TYR 79 HD1 TYR 79 3.162 8.585 4.329 670 HE1 TYR 79 HE2 TYR 79 3.098 4.242 6.707 671 HE2 TYR 79 HE1 TYR 79 4.475 8.324 6.404 672 HH TYR 79 HH TYR 79 4.732 5.157 8.038 673 H HIS 80 H HIS 80 0.395 9.446 2.039 674 HA HIS 80 HA HIS 80 -1.577 8.892 -0.081 675 HB2 HIS 80 HB2 HIS 80 -1.550 11.012 1.266 676 HB3 HIS 80 HB3 HIS 80 0.002 11.423 0.568 677 HD1 HIS 80 HD1 HIS 80 -0.467 13.261 -1.261 678 HD2 HIS 80 HD2 HIS 80 -3.186 10.050 -1.186 679 HE1 HIS 80 HE1 HIS 80 -2.190 13.669 -3.141 680 H ALA 81 H ALA 81 -1.005 8.334 -2.108 681 HA ALA 81 HA ALA 81 1.690 7.838 -2.871 682 HB1 ALA 81 HB1 ALA 81 -0.189 6.599 -3.841 683 HB2 ALA 81 HB2 ALA 81 -0.860 8.093 -4.543 684 HB3 ALA 81 HB3 ALA 81 0.688 7.455 -5.122 685 H GLU 82 H GLU 82 3.243 9.217 -3.641 686 HA GLU 82 HA GLU 82 2.507 11.868 -4.709 687 HB2 GLU 82 HB2 GLU 82 4.978 10.809 -3.286 688 HB3 GLU 82 HB3 GLU 82 4.884 12.376 -4.057 689 HG2 GLU 82 HG2 GLU 82 3.230 11.400 -1.713 690 HG3 GLU 82 HG3 GLU 82 4.561 12.553 -1.625 691 H GLY 83 H GLY 83 2.282 11.483 -6.835 692 HA2 GLY 83 HA2 GLY 83 3.382 11.284 -8.975 693 HA3 GLY 83 HA3 GLY 83 4.497 10.114 -8.281 694 H ASP 84 H ASP 84 2.886 9.728 -10.535 695 HA ASP 84 HA ASP 84 0.910 7.612 -10.041 696 HB2 ASP 84 HB2 ASP 84 0.678 7.670 -12.355 697 HB3 ASP 84 HB3 ASP 84 1.406 9.269 -12.143 698 H ASP 85 H ASP 85 4.249 8.023 -10.375 699 HA ASP 85 HA ASP 85 4.962 5.464 -11.309 700 HB2 ASP 85 HB2 ASP 85 6.100 7.838 -11.382 701 HB3 ASP 85 HB3 ASP 85 6.768 7.402 -9.873 702 H VAL 86 H VAL 86 4.323 3.852 -10.009 703 HA VAL 86 HA VAL 86 4.375 3.491 -7.257 704 HB VAL 86 HB VAL 86 5.146 1.555 -9.476 705 HG11 VAL 86 HG11 VAL 86 4.930 1.055 -6.495 706 HG12 VAL 86 HG12 VAL 86 4.530 -0.220 -7.669 707 HG13 VAL 86 HG13 VAL 86 6.148 0.510 -7.637 708 HG21 VAL 86 HG21 VAL 86 2.600 1.893 -7.853 709 HG22 VAL 86 HG22 VAL 86 2.826 2.348 -9.559 710 HG23 VAL 86 HG23 VAL 86 2.906 0.652 -9.068 711 H ASP 87 H ASP 87 7.184 3.394 -9.509 712 HA ASP 87 HA ASP 87 8.884 2.410 -7.460 713 HB2 ASP 87 HB2 ASP 87 9.579 3.579 -10.181 714 HB3 ASP 87 HB3 ASP 87 10.692 2.804 -9.098 715 H LYS 88 H LYS 88 8.315 5.628 -8.849 716 HA LYS 88 HA LYS 88 10.043 7.202 -7.174 717 HB2 LYS 88 HB2 LYS 88 8.546 8.235 -8.864 718 HB3 LYS 88 HB3 LYS 88 7.150 7.785 -7.902 719 HG2 LYS 88 HG2 LYS 88 7.623 10.147 -7.773 720 HG3 LYS 88 HG3 LYS 88 7.577 9.337 -6.193 721 HD2 LYS 88 HD2 LYS 88 9.818 9.654 -5.791 722 HD3 LYS 88 HD3 LYS 88 10.260 9.564 -7.506 723 HE2 LYS 88 HE2 LYS 88 10.714 11.751 -6.753 724 HE3 LYS 88 HE3 LYS 88 9.384 11.823 -7.924 725 HZ1 LYS 88 HZ1 LYS 88 9.073 12.010 -4.989 726 HZ2 LYS 88 HZ2 LYS 88 7.852 12.228 -6.111 727 HZ3 LYS 88 HZ3 LYS 88 9.095 13.267 -6.004 728 H ASN 89 H ASN 89 6.811 5.868 -6.445 729 HA ASN 89 HA ASN 89 6.675 7.047 -3.836 730 HB2 ASN 89 HB2 ASN 89 5.127 4.852 -5.281 731 HB3 ASN 89 HB3 ASN 89 4.834 5.210 -3.586 732 HD21 ASN 89 HD21 ASN 89 4.782 6.745 -6.824 733 HD22 ASN 89 HD22 ASN 89 3.975 8.188 -6.230 734 H ILE 90 H ILE 90 8.092 3.981 -4.937 735 HA ILE 90 HA ILE 90 8.002 2.744 -2.304 736 HB ILE 90 HB ILE 90 9.476 2.107 -4.874 737 HG12 ILE 90 HG12 ILE 90 7.222 0.568 -3.464 738 HG13 ILE 90 HG13 ILE 90 6.957 1.714 -4.719 739 HG21 ILE 90 HG21 ILE 90 9.432 0.459 -2.275 740 HG22 ILE 90 HG22 ILE 90 10.179 -0.044 -3.813 741 HG23 ILE 90 HG23 ILE 90 10.845 1.300 -2.933 742 HD11 ILE 90 HD11 ILE 90 6.906 -0.538 -5.609 743 HD12 ILE 90 HD12 ILE 90 8.284 0.349 -6.307 744 HD13 ILE 90 HD13 ILE 90 8.539 -0.866 -5.024 745 H SER 91 H SER 91 10.558 4.561 -4.149 746 HA SER 91 HA SER 91 12.427 4.260 -2.046 747 HB2 SER 91 HB2 SER 91 13.850 5.588 -3.279 748 HB3 SER 91 HB3 SER 91 12.816 4.863 -4.508 749 HG SER 91 HG SER 91 12.711 7.486 -3.451 750 H LEU 92 H LEU 92 9.980 6.789 -2.658 751 HA LEU 92 HA LEU 92 10.841 8.612 -0.643 752 HB2 LEU 92 HB2 LEU 92 8.070 7.985 -1.744 753 HB3 LEU 92 HB3 LEU 92 8.415 9.339 -0.679 754 HG LEU 92 HG LEU 92 9.610 9.020 -3.476 755 HD11 LEU 92 HD11 LEU 92 7.129 9.339 -3.450 756 HD12 LEU 92 HD12 LEU 92 7.966 10.722 -4.112 757 HD13 LEU 92 HD13 LEU 92 7.346 10.801 -2.460 758 HD21 LEU 92 HD21 LEU 92 11.037 10.381 -1.993 759 HD22 LEU 92 HD22 LEU 92 9.646 11.402 -1.584 760 HD23 LEU 92 HD23 LEU 92 10.277 11.356 -3.239 761 H PHE 93 H PHE 93 8.576 5.838 -0.581 762 HA PHE 93 HA PHE 93 7.781 6.131 2.116 763 HB2 PHE 93 HB2 PHE 93 6.521 4.795 0.552 764 HB3 PHE 93 HB3 PHE 93 7.898 3.757 0.244 765 HD1 PHE 93 HD2 PHE 93 5.607 4.834 3.046 766 HD2 PHE 93 HD1 PHE 93 8.321 1.851 1.502 767 HE1 PHE 93 HE2 PHE 93 4.923 3.280 4.852 768 HE2 PHE 93 HE1 PHE 93 7.623 0.306 3.270 769 HZ PHE 93 HZ PHE 93 5.880 0.963 4.916 770 H ILE 94 H ILE 94 10.505 4.277 0.703 771 HA ILE 94 HA ILE 94 11.433 2.983 3.038 772 HB ILE 94 HB ILE 94 12.774 3.898 0.475 773 HG12 ILE 94 HG12 ILE 94 12.415 1.105 1.587 774 HG13 ILE 94 HG13 ILE 94 11.090 1.911 0.733 775 HG21 ILE 94 HG21 ILE 94 14.589 3.986 2.098 776 HG22 ILE 94 HG22 ILE 94 14.097 2.427 2.791 777 HG23 ILE 94 HG23 ILE 94 14.769 2.517 1.149 778 HD11 ILE 94 HD11 ILE 94 13.816 1.343 -0.492 779 HD12 ILE 94 HD12 ILE 94 12.329 0.420 -0.762 780 HD13 ILE 94 HD13 ILE 94 12.419 2.106 -1.284 781 H GLU 95 H GLU 95 12.284 6.241 1.727 782 HA GLU 95 HA GLU 95 13.961 6.885 4.001 783 HB2 GLU 95 HB2 GLU 95 12.950 8.228 1.516 784 HB3 GLU 95 HB3 GLU 95 13.426 9.305 2.813 785 HG2 GLU 95 HG2 GLU 95 15.331 7.045 2.227 786 HG3 GLU 95 HG3 GLU 95 15.127 8.243 0.963 787 H GLY 96 H GLY 96 10.516 6.925 3.599 788 HA2 GLY 96 HA2 GLY 96 8.979 7.393 5.279 789 HA3 GLY 96 HA3 GLY 96 10.215 8.219 6.225 790 H GLU 97 H GLU 97 9.957 9.059 2.834 791 HA GLU 97 HA GLU 97 9.474 11.847 3.438 792 HB2 GLU 97 HB2 GLU 97 10.126 10.146 1.068 793 HB3 GLU 97 HB3 GLU 97 9.226 11.606 0.705 794 HG2 GLU 97 HG2 GLU 97 11.795 11.611 2.327 795 HG3 GLU 97 HG3 GLU 97 11.758 11.712 0.565 796 H LEU 98 H LEU 98 7.320 9.149 2.610 797 HA LEU 98 HA LEU 98 5.280 10.918 1.414 798 HB2 LEU 98 HB2 LEU 98 5.005 8.056 2.405 799 HB3 LEU 98 HB3 LEU 98 3.812 8.957 1.500 800 HG LEU 98 HG LEU 98 6.541 8.073 0.416 801 HD11 LEU 98 HD11 LEU 98 3.687 7.193 -0.244 802 HD12 LEU 98 HD12 LEU 98 4.810 6.306 0.806 803 HD13 LEU 98 HD13 LEU 98 5.196 6.537 -0.913 804 HD21 LEU 98 HD21 LEU 98 4.207 9.524 -0.923 805 HD22 LEU 98 HD22 LEU 98 5.585 8.812 -1.772 806 HD23 LEU 98 HD23 LEU 98 5.842 10.175 -0.669 807 H SER 99 H SER 99 3.153 11.333 2.414 808 HA SER 99 HA SER 99 3.399 11.581 5.365 809 HB2 SER 99 HB2 SER 99 3.353 13.614 3.587 810 HB3 SER 99 HB3 SER 99 1.604 13.358 3.765 811 HG SER 99 HG SER 99 3.186 14.714 5.311 812 H LYS 100 H LYS 100 1.460 11.329 6.582 813 HA LYS 100 HA LYS 100 0.010 9.059 5.514 814 HB2 LYS 100 HB2 LYS 100 0.127 10.330 8.237 815 HB3 LYS 100 HB3 LYS 100 -0.985 8.988 7.865 816 HG2 LYS 100 HG2 LYS 100 0.896 7.546 7.182 817 HG3 LYS 100 HG3 LYS 100 2.027 8.881 7.400 818 HD2 LYS 100 HD2 LYS 100 2.256 7.456 9.288 819 HD3 LYS 100 HD3 LYS 100 1.476 8.968 9.786 820 HE2 LYS 100 HE2 LYS 100 -0.769 7.734 9.565 821 HE3 LYS 100 HE3 LYS 100 0.183 6.243 9.406 822 HZ1 LYS 100 HZ1 LYS 100 1.173 6.822 11.596 823 HZ2 LYS 100 HZ2 LYS 100 -0.474 6.635 11.709 824 HZ3 LYS 100 HZ3 LYS 100 0.186 8.123 11.669 825 H ILE 101 H ILE 101 -2.128 8.827 5.093 826 HA ILE 101 HA ILE 101 -3.691 11.205 4.482 827 HB ILE 101 HB ILE 101 -4.431 8.259 4.454 828 HG12 ILE 101 HG12 ILE 101 -3.640 10.250 2.287 829 HG13 ILE 101 HG13 ILE 101 -2.760 8.786 2.775 830 HG21 ILE 101 HG21 ILE 101 -6.420 9.674 4.861 831 HG22 ILE 101 HG22 ILE 101 -6.020 10.644 3.419 832 HG23 ILE 101 HG23 ILE 101 -6.483 8.940 3.279 833 HD11 ILE 101 HD11 ILE 101 -5.372 8.967 1.222 834 HD12 ILE 101 HD12 ILE 101 -3.829 8.278 0.718 835 HD13 ILE 101 HD13 ILE 101 -4.795 7.460 1.966 836 H SER 102 H SER 102 -4.549 12.387 6.038 837 HA SER 102 HA SER 102 -5.081 11.456 8.688 838 HB2 SER 102 HB2 SER 102 -6.142 13.883 8.618 839 HB3 SER 102 HB3 SER 102 -4.416 13.606 8.688 840 HG SER 102 HG SER 102 -4.452 14.889 7.083 841 H ASN 103 H ASN 103 -7.530 13.294 6.795 842 HA ASN 103 HA ASN 103 -9.482 11.170 7.510 843 HB2 ASN 103 HB2 ASN 103 -9.696 14.151 7.420 844 HB3 ASN 103 HB3 ASN 103 -11.087 13.219 6.852 845 HD21 ASN 103 HD21 ASN 103 -12.518 13.390 8.577 846 HD22 ASN 103 HD22 ASN 103 -12.180 12.668 10.154 847 HA PRO 104 HA PRO 104 -9.651 9.962 3.452 848 HB2 PRO 104 HB2 PRO 104 -12.046 8.611 3.313 849 HB3 PRO 104 HB3 PRO 104 -10.677 8.092 4.340 850 HG2 PRO 104 HG2 PRO 104 -13.145 9.651 5.112 851 HG3 PRO 104 HG3 PRO 104 -12.369 8.287 5.972 852 HD2 PRO 104 HD2 PRO 104 -11.968 10.883 6.683 853 HD3 PRO 104 HD3 PRO 104 -10.727 9.616 6.868 Start of MODEL 12 1 H1 GLY -2 H GLY -2 20.116 0.214 10.698 2 HA2 GLY -2 HA2 GLY -2 19.600 2.345 8.695 3 HA3 GLY -2 HA3 GLY -2 21.199 1.642 8.998 4 H HIS -1 H HIS -1 19.177 1.658 6.681 5 HA HIS -1 HA HIS -1 18.424 0.389 5.023 6 HB2 HIS -1 HB2 HIS -1 19.246 -2.163 6.480 7 HB3 HIS -1 HB3 HIS -1 18.590 -2.061 4.881 8 HD1 HIS -1 HD1 HIS -1 20.683 -3.371 4.062 9 HD2 HIS -1 HD2 HIS -1 21.359 0.566 5.420 10 HE1 HIS -1 HE1 HIS -1 23.095 -2.700 3.361 11 H MET 1 H MET 1 16.681 -1.797 5.193 12 HA MET 1 HA MET 1 14.916 -1.345 7.475 13 HB2 MET 1 HB2 MET 1 13.957 0.145 5.675 14 HB3 MET 1 HB3 MET 1 14.014 -1.258 4.562 15 HG2 MET 1 HG2 MET 1 11.762 -0.821 5.496 16 HG3 MET 1 HG3 MET 1 12.373 -2.423 5.771 17 HE1 MET 1 HE1 MET 1 9.924 -2.063 7.634 18 HE2 MET 1 HE2 MET 1 11.113 -3.380 7.655 19 HE3 MET 1 HE3 MET 1 10.666 -2.546 9.150 20 H ILE 2 H ILE 2 13.779 -3.139 7.933 21 HA ILE 2 HA ILE 2 14.764 -5.621 6.755 22 HB ILE 2 HB ILE 2 13.243 -5.485 9.365 23 HG12 ILE 2 HG12 ILE 2 14.848 -3.716 9.727 24 HG13 ILE 2 HG13 ILE 2 15.191 -5.111 10.709 25 HG21 ILE 2 HG21 ILE 2 15.232 -7.316 8.049 26 HG22 ILE 2 HG22 ILE 2 15.148 -7.313 9.809 27 HG23 ILE 2 HG23 ILE 2 13.713 -7.722 8.854 28 HD11 ILE 2 HD11 ILE 2 16.699 -4.460 8.130 29 HD12 ILE 2 HD12 ILE 2 17.231 -4.036 9.758 30 HD13 ILE 2 HD13 ILE 2 17.086 -5.741 9.294 31 H ASN 3 H ASN 3 12.618 -7.191 7.769 32 HA ASN 3 HA ASN 3 11.071 -7.595 5.556 33 HB2 ASN 3 HB2 ASN 3 11.559 -9.062 7.550 34 HB3 ASN 3 HB3 ASN 3 10.301 -8.189 8.430 35 HD21 ASN 3 HD21 ASN 3 10.975 -10.428 5.823 36 HD22 ASN 3 HD22 ASN 3 9.401 -11.217 5.983 37 H MET 4 H MET 4 10.245 -5.658 4.861 38 HA MET 4 HA MET 4 7.877 -4.521 6.327 39 HB2 MET 4 HB2 MET 4 9.803 -2.968 5.548 40 HB3 MET 4 HB3 MET 4 9.211 -3.232 3.925 41 HG2 MET 4 HG2 MET 4 7.586 -1.758 4.099 42 HG3 MET 4 HG3 MET 4 6.971 -2.514 5.553 43 HE1 MET 4 HE1 MET 4 9.928 -0.315 4.298 44 HE2 MET 4 HE2 MET 4 9.085 1.199 4.688 45 HE3 MET 4 HE3 MET 4 10.329 0.639 5.757 46 H LYS 5 H LYS 5 5.926 -4.293 5.267 47 HA LYS 5 HA LYS 5 5.528 -5.541 2.593 48 HB2 LYS 5 HB2 LYS 5 4.063 -6.091 5.182 49 HB3 LYS 5 HB3 LYS 5 3.201 -6.197 3.645 50 HG2 LYS 5 HG2 LYS 5 4.355 -8.029 2.928 51 HG3 LYS 5 HG3 LYS 5 5.805 -7.677 3.878 52 HD2 LYS 5 HD2 LYS 5 5.007 -8.666 5.803 53 HD3 LYS 5 HD3 LYS 5 3.332 -8.204 5.473 54 HE2 LYS 5 HE2 LYS 5 3.658 -10.644 5.355 55 HE3 LYS 5 HE3 LYS 5 3.004 -9.868 3.895 56 HZ1 LYS 5 HZ1 LYS 5 4.814 -11.595 3.601 57 HZ2 LYS 5 HZ2 LYS 5 5.880 -10.444 4.121 58 HZ3 LYS 5 HZ3 LYS 5 4.961 -10.200 2.759 59 H VAL 6 H VAL 6 4.453 -4.056 1.297 60 HA VAL 6 HA VAL 6 2.571 -2.211 2.599 61 HB VAL 6 HB VAL 6 4.912 -1.425 0.819 62 HG11 VAL 6 HG11 VAL 6 2.402 0.229 1.339 63 HG12 VAL 6 HG12 VAL 6 3.921 0.799 0.608 64 HG13 VAL 6 HG13 VAL 6 2.961 -0.392 -0.242 65 HG21 VAL 6 HG21 VAL 6 4.922 0.412 2.590 66 HG22 VAL 6 HG22 VAL 6 3.825 -0.593 3.525 67 HG23 VAL 6 HG23 VAL 6 5.449 -1.202 3.115 68 H ALA 7 H ALA 7 0.744 -2.017 1.528 69 HA ALA 7 HA ALA 7 0.460 -3.482 -1.041 70 HB1 ALA 7 HB1 ALA 7 -1.107 -3.958 0.936 71 HB2 ALA 7 HB2 ALA 7 -1.754 -2.324 0.694 72 HB3 ALA 7 HB3 ALA 7 -1.898 -3.519 -0.581 73 H ILE 8 H ILE 8 0.915 -2.148 -2.741 74 HA ILE 8 HA ILE 8 0.081 0.722 -2.678 75 HB ILE 8 HB ILE 8 1.618 -0.789 -4.829 76 HG12 ILE 8 HG12 ILE 8 2.679 1.179 -2.767 77 HG13 ILE 8 HG13 ILE 8 2.928 -0.563 -2.693 78 HG21 ILE 8 HG21 ILE 8 1.123 2.208 -4.430 79 HG22 ILE 8 HG22 ILE 8 2.008 1.464 -5.781 80 HG23 ILE 8 HG23 ILE 8 0.282 1.203 -5.620 81 HD11 ILE 8 HD11 ILE 8 3.983 1.224 -4.911 82 HD12 ILE 8 HD12 ILE 8 4.883 0.539 -3.572 83 HD13 ILE 8 HD13 ILE 8 4.185 -0.540 -4.809 84 H SER 9 H SER 9 -1.924 1.137 -3.511 85 HA SER 9 HA SER 9 -3.417 -0.981 -4.879 86 HB2 SER 9 HB2 SER 9 -5.128 0.943 -4.990 87 HB3 SER 9 HB3 SER 9 -4.691 0.273 -3.448 88 HG SER 9 HG SER 9 -3.683 2.713 -4.468 89 H MET 10 H MET 10 -3.520 -1.361 -7.071 90 HA MET 10 HA MET 10 -2.309 0.640 -8.901 91 HB2 MET 10 HB2 MET 10 -1.983 -2.385 -8.935 92 HB3 MET 10 HB3 MET 10 -1.283 -1.271 -10.111 93 HG2 MET 10 HG2 MET 10 -0.344 -0.328 -7.618 94 HG3 MET 10 HG3 MET 10 -0.381 -2.098 -7.451 95 HE1 MET 10 HE1 MET 10 0.307 -0.248 -10.908 96 HE2 MET 10 HE2 MET 10 1.080 0.873 -9.781 97 HE3 MET 10 HE3 MET 10 2.055 -0.142 -10.895 98 H ASP 11 H ASP 11 -2.949 0.487 -11.068 99 HA ASP 11 HA ASP 11 -5.700 -0.624 -11.477 100 HB2 ASP 11 HB2 ASP 11 -4.969 1.917 -11.768 101 HB3 ASP 11 HB3 ASP 11 -4.351 1.404 -13.309 102 H VAL 12 H VAL 12 -2.931 0.022 -13.663 103 HA VAL 12 HA VAL 12 -2.908 -2.825 -14.466 104 HB VAL 12 HB VAL 12 -3.329 -0.384 -16.325 105 HG11 VAL 12 HG11 VAL 12 -3.421 -1.992 -18.217 106 HG12 VAL 12 HG12 VAL 12 -1.838 -1.937 -17.457 107 HG13 VAL 12 HG13 VAL 12 -2.921 -3.297 -17.102 108 HG21 VAL 12 HG21 VAL 12 -5.191 -2.767 -16.086 109 HG22 VAL 12 HG22 VAL 12 -5.477 -1.189 -15.335 110 HG23 VAL 12 HG23 VAL 12 -5.411 -1.295 -17.077 111 H ASP 13 H ASP 13 -1.497 0.458 -15.188 112 HA ASP 13 HA ASP 13 1.166 -0.745 -14.698 113 HB2 ASP 13 HB2 ASP 13 -0.137 0.081 -17.223 114 HB3 ASP 13 HB3 ASP 13 1.219 1.126 -16.951 115 H LYS 14 H LYS 14 -0.674 1.185 -13.219 116 HA LYS 14 HA LYS 14 1.436 2.750 -12.194 117 HB2 LYS 14 HB2 LYS 14 0.403 5.044 -12.511 118 HB3 LYS 14 HB3 LYS 14 1.094 4.324 -13.956 119 HG2 LYS 14 HG2 LYS 14 -1.258 3.652 -14.629 120 HG3 LYS 14 HG3 LYS 14 -1.852 4.543 -13.228 121 HD2 LYS 14 HD2 LYS 14 0.018 6.202 -14.779 122 HD3 LYS 14 HD3 LYS 14 -1.214 5.508 -15.839 123 HE2 LYS 14 HE2 LYS 14 -2.974 6.319 -14.301 124 HE3 LYS 14 HE3 LYS 14 -1.764 7.071 -13.260 125 HZ1 LYS 14 HZ1 LYS 14 -2.012 7.761 -16.122 126 HZ2 LYS 14 HZ2 LYS 14 -1.190 8.566 -14.967 127 HZ3 LYS 14 HZ3 LYS 14 -2.824 8.588 -14.939 128 H ILE 15 H ILE 15 0.466 4.292 -10.461 129 HA ILE 15 HA ILE 15 -0.887 2.727 -8.537 130 HB ILE 15 HB ILE 15 -0.425 5.749 -8.746 131 HG12 ILE 15 HG12 ILE 15 1.206 3.522 -7.440 132 HG13 ILE 15 HG13 ILE 15 1.668 4.518 -8.833 133 HG21 ILE 15 HG21 ILE 15 -1.167 4.059 -6.312 134 HG22 ILE 15 HG22 ILE 15 -0.706 5.780 -6.266 135 HG23 ILE 15 HG23 ILE 15 -2.152 5.310 -7.108 136 HD11 ILE 15 HD11 ILE 15 1.645 6.532 -7.325 137 HD12 ILE 15 HD12 ILE 15 1.482 5.409 -5.945 138 HD13 ILE 15 HD13 ILE 15 2.896 5.334 -6.994 139 H SER 16 H SER 16 -3.091 2.672 -7.883 140 HA SER 16 HA SER 16 -4.988 3.350 -9.992 141 HB2 SER 16 HB2 SER 16 -6.658 2.397 -8.547 142 HB3 SER 16 HB3 SER 16 -5.263 1.315 -8.616 143 HG SER 16 HG SER 16 -6.404 2.457 -6.486 144 H ASN 17 H ASN 17 -7.020 4.526 -9.411 145 HA ASN 17 HA ASN 17 -6.372 7.115 -8.343 146 HB2 ASN 17 HB2 ASN 17 -8.055 6.493 -10.191 147 HB3 ASN 17 HB3 ASN 17 -9.182 6.089 -8.881 148 HD21 ASN 17 HD21 ASN 17 -9.647 7.927 -7.303 149 HD22 ASN 17 HD22 ASN 17 -9.236 9.572 -7.797 150 H SER 18 H SER 18 -8.378 4.338 -7.067 151 HA SER 18 HA SER 18 -8.091 5.537 -4.356 152 HB2 SER 18 HB2 SER 18 -10.785 4.638 -4.729 153 HB3 SER 18 HB3 SER 18 -10.088 6.146 -4.051 154 HG SER 18 HG SER 18 -11.163 6.842 -5.723 155 H PHE 19 H PHE 19 -8.463 3.916 -2.609 156 HA PHE 19 HA PHE 19 -7.131 1.456 -3.227 157 HB2 PHE 19 HB2 PHE 19 -6.984 2.447 -1.021 158 HB3 PHE 19 HB3 PHE 19 -8.725 2.393 -0.791 159 HD1 PHE 19 HD2 PHE 19 -9.911 0.157 -0.540 160 HD2 PHE 19 HD1 PHE 19 -5.573 0.536 -0.298 161 HE1 PHE 19 HE2 PHE 19 -9.768 -1.969 0.670 162 HE2 PHE 19 HE1 PHE 19 -5.473 -1.628 0.809 163 HZ PHE 19 HZ PHE 19 -7.529 -2.871 1.354 164 H GLU 20 H GLU 20 -10.551 2.286 -2.609 165 HA GLU 20 HA GLU 20 -11.633 -0.352 -3.140 166 HB2 GLU 20 HB2 GLU 20 -12.597 2.437 -2.689 167 HB3 GLU 20 HB3 GLU 20 -13.678 1.437 -3.684 168 HG2 GLU 20 HG2 GLU 20 -12.570 0.273 -1.153 169 HG3 GLU 20 HG3 GLU 20 -13.796 1.520 -1.006 170 H ASP 21 H ASP 21 -10.627 2.374 -5.101 171 HA ASP 21 HA ASP 21 -11.807 1.113 -7.508 172 HB2 ASP 21 HB2 ASP 21 -12.368 3.599 -6.629 173 HB3 ASP 21 HB3 ASP 21 -10.993 3.983 -7.671 174 H CYS 22 H CYS 22 -9.911 -0.205 -6.817 175 HA CYS 22 HA CYS 22 -7.725 0.464 -8.676 176 HB2 CYS 22 HB2 CYS 22 -6.055 -0.573 -7.335 177 HB3 CYS 22 HB3 CYS 22 -6.903 0.485 -6.218 178 HG CYS 22 HG CYS 22 -8.257 -1.260 -4.996 179 H LYS 23 H LYS 23 -6.618 -1.741 -9.218 180 HA LYS 23 HA LYS 23 -8.778 -3.713 -9.862 181 HB2 LYS 23 HB2 LYS 23 -6.150 -2.931 -11.127 182 HB3 LYS 23 HB3 LYS 23 -6.913 -4.462 -11.497 183 HG2 LYS 23 HG2 LYS 23 -7.387 -2.694 -13.199 184 HG3 LYS 23 HG3 LYS 23 -8.774 -3.505 -12.514 185 HD2 LYS 23 HD2 LYS 23 -9.390 -1.542 -11.207 186 HD3 LYS 23 HD3 LYS 23 -7.863 -0.749 -11.641 187 HE2 LYS 23 HE2 LYS 23 -9.460 0.192 -13.097 188 HE3 LYS 23 HE3 LYS 23 -8.531 -0.954 -14.062 189 HZ1 LYS 23 HZ1 LYS 23 -11.278 -1.235 -13.062 190 HZ2 LYS 23 HZ2 LYS 23 -10.418 -2.571 -13.442 191 HZ3 LYS 23 HZ3 LYS 23 -10.667 -1.456 -14.611 192 H TYR 24 H TYR 24 -5.506 -3.192 -8.422 193 HA TYR 24 HA TYR 24 -5.881 -5.585 -6.883 194 HB2 TYR 24 HB2 TYR 24 -4.031 -6.816 -7.673 195 HB3 TYR 24 HB3 TYR 24 -4.943 -6.421 -9.100 196 HD1 TYR 24 HD1 TYR 24 -4.044 -4.725 -10.755 197 HD2 TYR 24 HD2 TYR 24 -1.681 -6.153 -7.413 198 HE1 TYR 24 HE1 TYR 24 -1.988 -3.925 -11.841 199 HE2 TYR 24 HE2 TYR 24 0.218 -5.304 -8.256 200 HH TYR 24 HH TYR 24 0.424 -3.472 -11.360 201 H PHE 25 H PHE 25 -3.967 -5.913 -5.450 202 HA PHE 25 HA PHE 25 -2.688 -3.347 -4.653 203 HB2 PHE 25 HB2 PHE 25 -3.411 -5.777 -2.981 204 HB3 PHE 25 HB3 PHE 25 -2.651 -4.303 -2.415 205 HD1 PHE 25 HD2 PHE 25 -3.963 -2.066 -2.805 206 HD2 PHE 25 HD1 PHE 25 -5.723 -5.973 -3.048 207 HE1 PHE 25 HE2 PHE 25 -6.265 -1.067 -2.553 208 HE2 PHE 25 HE1 PHE 25 -8.020 -4.945 -2.714 209 HZ PHE 25 HZ PHE 25 -8.242 -2.530 -2.451 210 H LEU 26 H LEU 26 -0.606 -3.340 -5.126 211 HA LEU 26 HA LEU 26 0.893 -5.796 -5.635 212 HB2 LEU 26 HB2 LEU 26 1.126 -3.638 -7.006 213 HB3 LEU 26 HB3 LEU 26 1.923 -2.933 -5.615 214 HG LEU 26 HG LEU 26 3.523 -3.642 -7.247 215 HD11 LEU 26 HD11 LEU 26 3.737 -5.828 -5.168 216 HD12 LEU 26 HD12 LEU 26 4.029 -4.095 -4.811 217 HD13 LEU 26 HD13 LEU 26 4.998 -4.926 -6.013 218 HD21 LEU 26 HD21 LEU 26 2.097 -6.320 -7.295 219 HD22 LEU 26 HD22 LEU 26 3.763 -6.166 -7.788 220 HD23 LEU 26 HD23 LEU 26 2.499 -5.246 -8.628 221 H ILE 27 H ILE 27 1.547 -6.857 -3.777 222 HA ILE 27 HA ILE 27 2.119 -5.299 -1.338 223 HB ILE 27 HB ILE 27 2.483 -8.284 -1.479 224 HG12 ILE 27 HG12 ILE 27 0.127 -7.924 -1.980 225 HG13 ILE 27 HG13 ILE 27 0.331 -8.510 -0.336 226 HG21 ILE 27 HG21 ILE 27 3.698 -7.174 0.274 227 HG22 ILE 27 HG22 ILE 27 2.263 -6.265 0.776 228 HG23 ILE 27 HG23 ILE 27 2.300 -8.016 0.978 229 HD11 ILE 27 HD11 ILE 27 -0.020 -6.199 0.543 230 HD12 ILE 27 HD12 ILE 27 -0.249 -5.625 -1.134 231 HD13 ILE 27 HD13 ILE 27 -1.391 -6.749 -0.417 232 H VAL 28 H VAL 28 3.904 -4.158 -1.703 233 HA VAL 28 HA VAL 28 6.309 -5.104 -3.021 234 HB VAL 28 HB VAL 28 6.020 -2.911 -0.903 235 HG11 VAL 28 HG11 VAL 28 8.374 -3.503 -1.550 236 HG12 VAL 28 HG12 VAL 28 7.952 -3.241 -3.260 237 HG13 VAL 28 HG13 VAL 28 7.928 -1.888 -2.123 238 HG21 VAL 28 HG21 VAL 28 4.369 -2.416 -2.663 239 HG22 VAL 28 HG22 VAL 28 5.732 -1.316 -2.727 240 HG23 VAL 28 HG23 VAL 28 5.626 -2.636 -3.916 241 H ARG 29 H ARG 29 8.004 -6.258 -2.029 242 HA ARG 29 HA ARG 29 7.757 -6.814 0.885 243 HB2 ARG 29 HB2 ARG 29 7.018 -8.805 -0.242 244 HB3 ARG 29 HB3 ARG 29 8.371 -8.763 -1.379 245 HG2 ARG 29 HG2 ARG 29 9.942 -9.454 0.228 246 HG3 ARG 29 HG3 ARG 29 8.941 -8.929 1.598 247 HD2 ARG 29 HD2 ARG 29 7.424 -10.739 1.336 248 HD3 ARG 29 HD3 ARG 29 8.073 -11.168 -0.259 249 HE ARG 29 HE ARG 29 10.231 -11.357 1.479 250 HH11 ARG 29 HH11 ARG 29 6.993 -12.902 1.320 251 HH12 ARG 29 HH12 ARG 29 7.578 -14.452 1.829 252 HH21 ARG 29 HH21 ARG 29 10.977 -13.532 1.694 253 HH22 ARG 29 HH22 ARG 29 9.901 -14.839 2.004 254 H ILE 30 H ILE 30 9.435 -6.020 1.919 255 HA ILE 30 HA ILE 30 12.016 -5.622 0.506 256 HB ILE 30 HB ILE 30 10.574 -3.976 2.601 257 HG12 ILE 30 HG12 ILE 30 11.436 -3.048 -0.145 258 HG13 ILE 30 HG13 ILE 30 9.829 -3.674 0.176 259 HG21 ILE 30 HG21 ILE 30 13.351 -3.535 1.504 260 HG22 ILE 30 HG22 ILE 30 12.478 -2.378 2.527 261 HG23 ILE 30 HG23 ILE 30 12.916 -3.945 3.187 262 HD11 ILE 30 HD11 ILE 30 9.693 -1.298 0.212 263 HD12 ILE 30 HD12 ILE 30 9.427 -1.911 1.851 264 HD13 ILE 30 HD13 ILE 30 10.991 -1.166 1.412 265 H ASP 31 H ASP 31 13.761 -6.515 1.688 266 HA ASP 31 HA ASP 31 13.323 -7.223 4.497 267 HB2 ASP 31 HB2 ASP 31 14.419 -9.182 2.434 268 HB3 ASP 31 HB3 ASP 31 14.407 -9.388 4.130 269 H ASP 32 H ASP 32 14.881 -5.270 2.586 270 HA ASP 32 HA ASP 32 17.162 -4.937 4.127 271 HB2 ASP 32 HB2 ASP 32 17.844 -7.031 2.803 272 HB3 ASP 32 HB3 ASP 32 17.904 -5.987 1.364 273 H ASN 33 H ASN 33 15.381 -3.226 3.474 274 HA ASN 33 HA ASN 33 14.879 -1.120 2.649 275 HB2 ASN 33 HB2 ASN 33 17.505 -0.968 3.238 276 HB3 ASN 33 HB3 ASN 33 17.581 -0.640 1.509 277 HD21 ASN 33 HD21 ASN 33 15.433 0.385 4.295 278 HD22 ASN 33 HD22 ASN 33 15.617 2.068 3.898 279 H GLU 34 H GLU 34 15.669 -3.532 0.378 280 HA GLU 34 HA GLU 34 14.942 -1.877 -1.938 281 HB2 GLU 34 HB2 GLU 34 17.205 -2.591 -2.031 282 HB3 GLU 34 HB3 GLU 34 16.809 -4.187 -1.349 283 HG2 GLU 34 HG2 GLU 34 17.345 -4.472 -3.617 284 HG3 GLU 34 HG3 GLU 34 15.652 -4.802 -3.373 285 H VAL 35 H VAL 35 13.746 -2.976 -3.466 286 HA VAL 35 HA VAL 35 11.520 -4.644 -2.536 287 HB VAL 35 HB VAL 35 12.364 -3.822 -5.338 288 HG11 VAL 35 HG11 VAL 35 9.712 -4.913 -4.263 289 HG12 VAL 35 HG12 VAL 35 9.982 -4.332 -5.924 290 HG13 VAL 35 HG13 VAL 35 10.836 -5.766 -5.348 291 HG21 VAL 35 HG21 VAL 35 10.398 -2.513 -3.403 292 HG22 VAL 35 HG22 VAL 35 11.853 -1.806 -4.158 293 HG23 VAL 35 HG23 VAL 35 10.448 -2.155 -5.148 294 H LYS 36 H LYS 36 12.340 -6.500 -1.760 295 HA LYS 36 HA LYS 36 14.219 -8.211 -3.222 296 HB2 LYS 36 HB2 LYS 36 12.211 -8.792 -0.997 297 HB3 LYS 36 HB3 LYS 36 13.397 -9.953 -1.593 298 HG2 LYS 36 HG2 LYS 36 14.165 -7.261 -0.372 299 HG3 LYS 36 HG3 LYS 36 13.920 -8.742 0.533 300 HD2 LYS 36 HD2 LYS 36 15.744 -9.872 -0.657 301 HD3 LYS 36 HD3 LYS 36 15.946 -8.444 -1.690 302 HE2 LYS 36 HE2 LYS 36 16.387 -7.100 0.421 303 HE3 LYS 36 HE3 LYS 36 16.484 -8.620 1.302 304 HZ1 LYS 36 HZ1 LYS 36 18.377 -9.234 -0.126 305 HZ2 LYS 36 HZ2 LYS 36 18.651 -7.801 0.574 306 HZ3 LYS 36 HZ3 LYS 36 18.202 -7.827 -0.991 307 H SER 37 H SER 37 10.650 -7.738 -3.152 308 HA SER 37 HA SER 37 10.367 -9.360 -5.548 309 HB2 SER 37 HB2 SER 37 9.062 -10.238 -2.932 310 HB3 SER 37 HB3 SER 37 8.808 -10.979 -4.514 311 HG SER 37 HG SER 37 11.403 -10.979 -4.118 312 H THR 38 H THR 38 8.078 -9.404 -6.277 313 HA THR 38 HA THR 38 6.338 -7.287 -5.115 314 HB THR 38 HB THR 38 5.651 -7.018 -7.566 315 HG1 THR 38 HG1 THR 38 6.655 -8.574 -8.679 316 HG21 THR 38 HG21 THR 38 8.479 -6.119 -6.947 317 HG22 THR 38 HG22 THR 38 7.048 -5.395 -6.173 318 HG23 THR 38 HG23 THR 38 7.252 -5.285 -7.921 319 H LYS 39 H LYS 39 4.525 -8.104 -4.349 320 HA LYS 39 HA LYS 39 3.284 -10.564 -5.520 321 HB2 LYS 39 HB2 LYS 39 3.546 -9.444 -2.753 322 HB3 LYS 39 HB3 LYS 39 1.954 -10.004 -3.182 323 HG2 LYS 39 HG2 LYS 39 2.862 -11.765 -2.054 324 HG3 LYS 39 HG3 LYS 39 3.064 -12.261 -3.739 325 HD2 LYS 39 HD2 LYS 39 5.267 -10.717 -2.372 326 HD3 LYS 39 HD3 LYS 39 5.002 -12.397 -1.873 327 HE2 LYS 39 HE2 LYS 39 4.973 -12.941 -4.434 328 HE3 LYS 39 HE3 LYS 39 5.905 -11.436 -4.597 329 HZ1 LYS 39 HZ1 LYS 39 7.358 -13.265 -4.386 330 HZ2 LYS 39 HZ2 LYS 39 6.573 -13.874 -3.088 331 HZ3 LYS 39 HZ3 LYS 39 7.449 -12.522 -2.910 332 H VAL 40 H VAL 40 0.660 -9.457 -4.641 333 HA VAL 40 HA VAL 40 -0.385 -8.240 -5.492 334 HB VAL 40 HB VAL 40 0.125 -7.465 -7.019 335 HG11 VAL 40 HG11 VAL 40 1.826 -8.749 -8.091 336 HG12 VAL 40 HG12 VAL 40 0.611 -9.926 -8.705 337 HG13 VAL 40 HG13 VAL 40 0.635 -8.209 -9.280 338 HG21 VAL 40 HG21 VAL 40 -1.523 -7.959 -9.054 339 HG22 VAL 40 HG22 VAL 40 -1.773 -9.559 -8.397 340 HG23 VAL 40 HG23 VAL 40 -2.340 -8.174 -7.511 341 H ILE 41 H ILE 41 -2.265 -8.198 -5.063 342 HA ILE 41 HA ILE 41 -3.852 -10.668 -4.704 343 HB ILE 41 HB ILE 41 -3.639 -8.160 -2.949 344 HG12 ILE 41 HG12 ILE 41 -2.573 -10.944 -2.373 345 HG13 ILE 41 HG13 ILE 41 -1.615 -9.490 -2.633 346 HG21 ILE 41 HG21 ILE 41 -5.885 -9.274 -3.049 347 HG22 ILE 41 HG22 ILE 41 -5.140 -10.743 -2.397 348 HG23 ILE 41 HG23 ILE 41 -5.184 -9.252 -1.432 349 HD11 ILE 41 HD11 ILE 41 -2.779 -8.432 -0.663 350 HD12 ILE 41 HD12 ILE 41 -3.410 -10.038 -0.250 351 HD13 ILE 41 HD13 ILE 41 -1.664 -9.761 -0.269 352 H PHE 42 H PHE 42 -5.443 -10.370 -6.341 353 HA PHE 42 HA PHE 42 -5.988 -7.800 -7.513 354 HB2 PHE 42 HB2 PHE 42 -7.535 -10.416 -7.517 355 HB3 PHE 42 HB3 PHE 42 -7.933 -9.010 -8.512 356 HD1 PHE 42 HD1 PHE 42 -6.152 -8.096 -10.106 357 HD2 PHE 42 HD2 PHE 42 -5.883 -11.991 -8.312 358 HE1 PHE 42 HE1 PHE 42 -4.591 -8.838 -11.912 359 HE2 PHE 42 HE2 PHE 42 -4.321 -12.717 -10.125 360 HZ PHE 42 HZ PHE 42 -3.696 -11.125 -11.930 361 H ASN 43 H ASN 43 -8.122 -6.659 -7.344 362 HA ASN 43 HA ASN 43 -8.692 -5.998 -4.588 363 HB2 ASN 43 HB2 ASN 43 -8.451 -4.327 -6.356 364 HB3 ASN 43 HB3 ASN 43 -9.849 -4.988 -7.203 365 HD21 ASN 43 HD21 ASN 43 -10.572 -2.691 -7.043 366 HD22 ASN 43 HD22 ASN 43 -11.424 -2.152 -5.637 367 H ASP 44 H ASP 44 -9.455 -8.520 -4.406 368 HA ASP 44 HA ASP 44 -12.236 -8.830 -5.307 369 HB2 ASP 44 HB2 ASP 44 -10.226 -10.907 -4.365 370 HB3 ASP 44 HB3 ASP 44 -11.793 -11.155 -5.115 371 H GLU 45 H GLU 45 -13.483 -10.217 -3.728 372 HA GLU 45 HA GLU 45 -13.618 -9.107 -1.127 373 HB2 GLU 45 HB2 GLU 45 -14.650 -11.888 -1.740 374 HB3 GLU 45 HB3 GLU 45 -15.360 -10.607 -0.754 375 HG2 GLU 45 HG2 GLU 45 -15.622 -9.318 -3.009 376 HG3 GLU 45 HG3 GLU 45 -15.247 -10.875 -3.783 377 H SER 46 H SER 46 -12.109 -12.008 -2.457 378 HA SER 46 HA SER 46 -11.398 -13.065 0.175 379 HB2 SER 46 HB2 SER 46 -10.868 -14.011 -2.655 380 HB3 SER 46 HB3 SER 46 -10.328 -14.864 -1.195 381 HG SER 46 HG SER 46 -12.328 -15.658 -1.823 382 H GLY 47 H GLY 47 -9.874 -11.307 -2.499 383 HA2 GLY 47 HA2 GLY 47 -7.217 -11.298 -1.682 384 HA3 GLY 47 HA3 GLY 47 -8.023 -9.997 -2.570 385 H LYS 48 H LYS 48 -9.739 -8.768 -0.914 386 HA LYS 48 HA LYS 48 -8.077 -7.339 0.907 387 HB2 LYS 48 HB2 LYS 48 -11.091 -7.620 0.561 388 HB3 LYS 48 HB3 LYS 48 -10.425 -6.633 1.850 389 HG2 LYS 48 HG2 LYS 48 -9.593 -4.993 0.433 390 HG3 LYS 48 HG3 LYS 48 -9.450 -6.051 -0.961 391 HD2 LYS 48 HD2 LYS 48 -11.827 -6.144 -1.316 392 HD3 LYS 48 HD3 LYS 48 -12.152 -5.352 0.237 393 HE2 LYS 48 HE2 LYS 48 -11.247 -3.251 -0.507 394 HE3 LYS 48 HE3 LYS 48 -10.678 -3.998 -2.037 395 HZ1 LYS 48 HZ1 LYS 48 -12.818 -2.723 -2.167 396 HZ2 LYS 48 HZ2 LYS 48 -13.488 -3.845 -1.216 397 HZ3 LYS 48 HZ3 LYS 48 -12.929 -4.319 -2.673 398 H LYS 49 H LYS 49 -10.258 -10.164 1.444 399 HA LYS 49 HA LYS 49 -10.010 -10.132 4.275 400 HB2 LYS 49 HB2 LYS 49 -10.728 -12.233 2.221 401 HB3 LYS 49 HB3 LYS 49 -10.373 -12.735 3.868 402 HG2 LYS 49 HG2 LYS 49 -12.058 -11.218 4.770 403 HG3 LYS 49 HG3 LYS 49 -12.437 -10.605 3.159 404 HD2 LYS 49 HD2 LYS 49 -12.786 -13.518 4.008 405 HD3 LYS 49 HD3 LYS 49 -14.055 -12.290 4.099 406 HE2 LYS 49 HE2 LYS 49 -13.655 -11.875 1.594 407 HE3 LYS 49 HE3 LYS 49 -12.688 -13.358 1.599 408 HZ1 LYS 49 HZ1 LYS 49 -14.903 -13.871 0.961 409 HZ2 LYS 49 HZ2 LYS 49 -15.545 -13.125 2.288 410 HZ3 LYS 49 HZ3 LYS 49 -14.650 -14.518 2.441 411 H SER 50 H SER 50 -7.793 -11.475 1.760 412 HA SER 50 HA SER 50 -6.047 -12.653 3.667 413 HB2 SER 50 HB2 SER 50 -5.508 -11.635 0.846 414 HB3 SER 50 HB3 SER 50 -4.388 -12.580 1.832 415 HG SER 50 HG SER 50 -5.469 -14.049 0.733 416 H ILE 51 H ILE 51 -6.044 -9.364 2.134 417 HA ILE 51 HA ILE 51 -3.736 -8.395 3.381 418 HB ILE 51 HB ILE 51 -6.213 -6.724 2.772 419 HG12 ILE 51 HG12 ILE 51 -3.888 -7.552 0.991 420 HG13 ILE 51 HG13 ILE 51 -5.552 -8.047 0.785 421 HG21 ILE 51 HG21 ILE 51 -3.284 -5.888 2.647 422 HG22 ILE 51 HG22 ILE 51 -4.737 -4.858 2.642 423 HG23 ILE 51 HG23 ILE 51 -4.230 -5.679 4.117 424 HD11 ILE 51 HD11 ILE 51 -6.194 -5.680 0.331 425 HD12 ILE 51 HD12 ILE 51 -4.460 -5.248 0.369 426 HD13 ILE 51 HD13 ILE 51 -5.058 -6.394 -0.835 427 H VAL 52 H VAL 52 -7.103 -8.374 4.656 428 HA VAL 52 HA VAL 52 -6.642 -6.963 7.048 429 HB VAL 52 HB VAL 52 -8.527 -9.294 6.577 430 HG11 VAL 52 HG11 VAL 52 -9.943 -8.246 8.347 431 HG12 VAL 52 HG12 VAL 52 -8.396 -8.764 8.996 432 HG13 VAL 52 HG13 VAL 52 -8.670 -7.047 8.658 433 HG21 VAL 52 HG21 VAL 52 -9.847 -6.714 6.524 434 HG22 VAL 52 HG22 VAL 52 -8.549 -6.737 5.331 435 HG23 VAL 52 HG23 VAL 52 -9.782 -8.006 5.311 436 H LYS 53 H LYS 53 -5.850 -10.382 6.289 437 HA LYS 53 HA LYS 53 -5.012 -10.746 9.103 438 HB2 LYS 53 HB2 LYS 53 -5.734 -12.652 6.866 439 HB3 LYS 53 HB3 LYS 53 -4.597 -13.173 8.101 440 HG2 LYS 53 HG2 LYS 53 -6.606 -13.926 8.896 441 HG3 LYS 53 HG3 LYS 53 -6.257 -12.490 9.867 442 HD2 LYS 53 HD2 LYS 53 -7.836 -11.179 8.434 443 HD3 LYS 53 HD3 LYS 53 -8.243 -12.660 7.570 444 HE2 LYS 53 HE2 LYS 53 -8.701 -12.031 10.527 445 HE3 LYS 53 HE3 LYS 53 -9.930 -12.161 9.266 446 HZ1 LYS 53 HZ1 LYS 53 -9.876 -14.152 10.579 447 HZ2 LYS 53 HZ2 LYS 53 -8.276 -14.356 10.324 448 HZ3 LYS 53 HZ3 LYS 53 -9.352 -14.518 9.064 449 H GLU 54 H GLU 54 -3.577 -9.503 6.330 450 HA GLU 54 HA GLU 54 -1.072 -10.972 6.539 451 HB2 GLU 54 HB2 GLU 54 -2.263 -9.839 4.423 452 HB3 GLU 54 HB3 GLU 54 -1.368 -8.419 4.977 453 HG2 GLU 54 HG2 GLU 54 0.732 -9.876 4.937 454 HG3 GLU 54 HG3 GLU 54 -0.264 -11.181 4.282 455 H ASN 55 H ASN 55 0.933 -9.595 6.705 456 HA ASN 55 HA ASN 55 0.850 -7.998 9.186 457 HB2 ASN 55 HB2 ASN 55 3.177 -9.240 7.639 458 HB3 ASN 55 HB3 ASN 55 3.277 -8.445 9.188 459 HD21 ASN 55 HD21 ASN 55 2.686 -9.568 11.062 460 HD22 ASN 55 HD22 ASN 55 2.260 -11.258 11.076 461 H VAL 56 H VAL 56 -0.179 -6.561 6.888 462 HA VAL 56 HA VAL 56 1.968 -5.245 5.472 463 HB VAL 56 HB VAL 56 -0.593 -3.753 5.888 464 HG11 VAL 56 HG11 VAL 56 -0.250 -3.100 3.593 465 HG12 VAL 56 HG12 VAL 56 1.256 -2.890 4.498 466 HG13 VAL 56 HG13 VAL 56 1.072 -4.276 3.412 467 HG21 VAL 56 HG21 VAL 56 -1.560 -5.972 5.459 468 HG22 VAL 56 HG22 VAL 56 -1.691 -4.927 4.028 469 HG23 VAL 56 HG23 VAL 56 -0.450 -6.196 4.071 470 H ASN 57 H ASN 57 3.059 -3.380 5.947 471 HA ASN 57 HA ASN 57 3.067 -2.376 8.712 472 HB2 ASN 57 HB2 ASN 57 5.088 -2.899 7.044 473 HB3 ASN 57 HB3 ASN 57 4.700 -1.331 6.342 474 HD21 ASN 57 HD21 ASN 57 5.822 -3.069 9.195 475 HD22 ASN 57 HD22 ASN 57 6.607 -1.692 9.950 476 H ALA 58 H ALA 58 2.328 -1.305 5.383 477 HA ALA 58 HA ALA 58 0.743 0.894 6.345 478 HB1 ALA 58 HB1 ALA 58 2.922 2.003 6.384 479 HB2 ALA 58 HB2 ALA 58 3.337 1.345 4.780 480 HB3 ALA 58 HB3 ALA 58 2.052 2.550 4.941 481 H ILE 59 H ILE 59 -0.485 1.888 4.534 482 HA ILE 59 HA ILE 59 -0.385 0.315 1.997 483 HB ILE 59 HB ILE 59 -2.835 1.337 3.475 484 HG12 ILE 59 HG12 ILE 59 -1.870 -1.441 2.647 485 HG13 ILE 59 HG13 ILE 59 -1.846 -0.826 4.260 486 HG21 ILE 59 HG21 ILE 59 -4.131 0.513 1.556 487 HG22 ILE 59 HG22 ILE 59 -3.009 1.741 1.003 488 HG23 ILE 59 HG23 ILE 59 -2.655 0.027 0.709 489 HD11 ILE 59 HD11 ILE 59 -4.222 -0.855 4.465 490 HD12 ILE 59 HD12 ILE 59 -4.444 -1.266 2.739 491 HD13 ILE 59 HD13 ILE 59 -3.679 -2.415 3.863 492 H ILE 60 H ILE 60 0.127 1.643 0.305 493 HA ILE 60 HA ILE 60 0.123 4.584 0.711 494 HB ILE 60 HB ILE 60 1.553 2.913 -1.409 495 HG12 ILE 60 HG12 ILE 60 2.756 4.452 0.957 496 HG13 ILE 60 HG13 ILE 60 2.491 2.720 0.998 497 HG21 ILE 60 HG21 ILE 60 0.937 5.163 -2.212 498 HG22 ILE 60 HG22 ILE 60 1.688 5.912 -0.790 499 HG23 ILE 60 HG23 ILE 60 2.672 5.049 -1.991 500 HD11 ILE 60 HD11 ILE 60 4.395 4.180 -0.857 501 HD12 ILE 60 HD12 ILE 60 4.756 3.037 0.443 502 HD13 ILE 60 HD13 ILE 60 3.956 2.465 -1.027 503 H CYS 61 H CYS 61 -1.584 5.611 -0.254 504 HA CYS 61 HA CYS 61 -2.587 4.583 -2.815 505 HB2 CYS 61 HB2 CYS 61 -4.954 4.682 -1.931 506 HB3 CYS 61 HB3 CYS 61 -3.967 3.358 -1.301 507 HG CYS 61 HG CYS 61 -4.559 6.327 0.133 508 H LYS 62 H LYS 62 -4.006 6.140 -3.855 509 HA LYS 62 HA LYS 62 -3.414 8.982 -3.246 510 HB2 LYS 62 HB2 LYS 62 -4.814 7.472 -5.488 511 HB3 LYS 62 HB3 LYS 62 -5.049 9.216 -5.278 512 HG2 LYS 62 HG2 LYS 62 -2.629 9.576 -5.487 513 HG3 LYS 62 HG3 LYS 62 -2.387 7.837 -5.777 514 HD2 LYS 62 HD2 LYS 62 -3.546 7.900 -7.861 515 HD3 LYS 62 HD3 LYS 62 -4.366 9.403 -7.457 516 HE2 LYS 62 HE2 LYS 62 -2.077 10.549 -7.421 517 HE3 LYS 62 HE3 LYS 62 -1.410 9.081 -8.144 518 HZ1 LYS 62 HZ1 LYS 62 -2.866 9.391 -10.025 519 HZ2 LYS 62 HZ2 LYS 62 -1.991 10.696 -9.826 520 HZ3 LYS 62 HZ3 LYS 62 -3.571 10.736 -9.328 521 H ASN 63 H ASN 63 -6.093 6.650 -2.849 522 HA ASN 63 HA ASN 63 -7.542 8.563 -1.186 523 HB2 ASN 63 HB2 ASN 63 -8.657 7.751 -3.858 524 HB3 ASN 63 HB3 ASN 63 -9.722 7.674 -2.485 525 HD21 ASN 63 HD21 ASN 63 -7.269 10.051 -3.467 526 HD22 ASN 63 HD22 ASN 63 -8.321 11.416 -3.541 527 H ILE 64 H ILE 64 -9.176 7.474 -0.032 528 HA ILE 64 HA ILE 64 -9.350 4.528 -0.136 529 HB ILE 64 HB ILE 64 -7.531 4.977 1.401 530 HG12 ILE 64 HG12 ILE 64 -10.019 4.181 2.945 531 HG13 ILE 64 HG13 ILE 64 -9.110 3.121 1.873 532 HG21 ILE 64 HG21 ILE 64 -9.343 6.589 3.219 533 HG22 ILE 64 HG22 ILE 64 -7.585 6.333 3.348 534 HG23 ILE 64 HG23 ILE 64 -8.238 7.362 2.084 535 HD11 ILE 64 HD11 ILE 64 -7.075 3.467 3.331 536 HD12 ILE 64 HD12 ILE 64 -8.115 4.348 4.461 537 HD13 ILE 64 HD13 ILE 64 -8.415 2.644 4.116 538 H SER 65 H SER 65 -11.468 3.774 0.454 539 HA SER 65 HA SER 65 -13.495 5.908 0.714 540 HB2 SER 65 HB2 SER 65 -13.674 3.727 -0.705 541 HB3 SER 65 HB3 SER 65 -14.047 2.941 0.854 542 HG SER 65 HG SER 65 -15.387 5.112 -0.427 543 H GLU 66 H GLU 66 -14.837 6.082 2.561 544 HA GLU 66 HA GLU 66 -13.310 6.196 4.837 545 HB2 GLU 66 HB2 GLU 66 -15.493 7.445 4.147 546 HB3 GLU 66 HB3 GLU 66 -16.339 6.134 4.985 547 HG2 GLU 66 HG2 GLU 66 -14.308 6.885 6.790 548 HG3 GLU 66 HG3 GLU 66 -14.689 8.401 5.994 549 H GLU 67 H GLU 67 -15.722 3.715 3.992 550 HA GLU 67 HA GLU 67 -15.831 2.431 6.499 551 HB2 GLU 67 HB2 GLU 67 -16.978 2.076 3.916 552 HB3 GLU 67 HB3 GLU 67 -16.156 0.544 4.258 553 HG2 GLU 67 HG2 GLU 67 -17.421 0.271 6.321 554 HG3 GLU 67 HG3 GLU 67 -17.937 1.937 6.279 555 H ASN 68 H ASN 68 -13.661 2.021 3.738 556 HA ASN 68 HA ASN 68 -12.163 -0.202 4.869 557 HB2 ASN 68 HB2 ASN 68 -11.824 1.581 2.464 558 HB3 ASN 68 HB3 ASN 68 -10.442 0.705 3.099 559 HD21 ASN 68 HD21 ASN 68 -13.226 0.379 1.138 560 HD22 ASN 68 HD22 ASN 68 -12.950 -1.283 0.722 561 H TYR 69 H TYR 69 -11.880 3.385 5.044 562 HA TYR 69 HA TYR 69 -9.180 3.401 6.033 563 HB2 TYR 69 HB2 TYR 69 -10.313 5.483 5.322 564 HB3 TYR 69 HB3 TYR 69 -11.413 5.371 6.699 565 HD1 TYR 69 HD2 TYR 69 -10.463 5.575 9.104 566 HD2 TYR 69 HD1 TYR 69 -8.119 6.344 5.561 567 HE1 TYR 69 HE2 TYR 69 -8.807 6.716 10.473 568 HE2 TYR 69 HE1 TYR 69 -6.437 7.544 6.951 569 HH TYR 69 HH TYR 69 -6.774 8.063 10.453 570 H LYS 70 H LYS 70 -12.239 3.462 7.897 571 HA LYS 70 HA LYS 70 -11.043 3.231 10.459 572 HB2 LYS 70 HB2 LYS 70 -13.681 2.122 9.436 573 HB3 LYS 70 HB3 LYS 70 -13.301 2.338 11.141 574 HG2 LYS 70 HG2 LYS 70 -13.159 4.792 10.816 575 HG3 LYS 70 HG3 LYS 70 -13.438 4.594 9.074 576 HD2 LYS 70 HD2 LYS 70 -15.573 3.257 9.867 577 HD3 LYS 70 HD3 LYS 70 -15.382 4.190 11.342 578 HE2 LYS 70 HE2 LYS 70 -15.508 5.384 8.546 579 HE3 LYS 70 HE3 LYS 70 -16.951 5.043 9.500 580 HZ1 LYS 70 HZ1 LYS 70 -16.210 6.645 11.137 581 HZ2 LYS 70 HZ2 LYS 70 -16.300 7.294 9.608 582 HZ3 LYS 70 HZ3 LYS 70 -14.848 6.969 10.252 583 H LYS 71 H LYS 71 -12.070 0.692 8.211 584 HA LYS 71 HA LYS 71 -11.502 -1.647 9.665 585 HB2 LYS 71 HB2 LYS 71 -12.812 -1.530 7.712 586 HB3 LYS 71 HB3 LYS 71 -11.457 -0.980 6.730 587 HG2 LYS 71 HG2 LYS 71 -10.410 -3.041 6.715 588 HG3 LYS 71 HG3 LYS 71 -11.371 -3.684 8.064 589 HD2 LYS 71 HD2 LYS 71 -13.153 -4.181 6.765 590 HD3 LYS 71 HD3 LYS 71 -13.001 -2.746 5.747 591 HE2 LYS 71 HE2 LYS 71 -11.242 -3.664 4.472 592 HE3 LYS 71 HE3 LYS 71 -11.074 -5.071 5.535 593 HZ1 LYS 71 HZ1 LYS 71 -13.455 -4.535 3.819 594 HZ2 LYS 71 HZ2 LYS 71 -13.310 -5.752 4.920 595 HZ3 LYS 71 HZ3 LYS 71 -12.382 -5.748 3.605 596 H PHE 72 H PHE 72 -9.268 0.015 7.308 597 HA PHE 72 HA PHE 72 -7.162 -1.816 8.110 598 HB2 PHE 72 HB2 PHE 72 -7.334 0.437 6.116 599 HB3 PHE 72 HB3 PHE 72 -5.794 -0.308 6.527 600 HD1 PHE 72 HD2 PHE 72 -5.487 -2.767 6.306 601 HD2 PHE 72 HD1 PHE 72 -8.902 -0.782 4.620 602 HE1 PHE 72 HE2 PHE 72 -6.022 -4.817 4.990 603 HE2 PHE 72 HE1 PHE 72 -9.398 -2.764 3.265 604 HZ PHE 72 HZ PHE 72 -7.977 -4.808 3.444 605 H SER 73 H SER 73 -7.899 1.562 8.891 606 HA SER 73 HA SER 73 -5.522 2.486 9.931 607 HB2 SER 73 HB2 SER 73 -7.548 3.841 9.603 608 HB3 SER 73 HB3 SER 73 -8.359 2.986 10.926 609 HG SER 73 HG SER 73 -6.100 4.731 11.066 610 H LYS 74 H LYS 74 -7.704 0.148 11.425 611 HA LYS 74 HA LYS 74 -7.102 0.207 14.020 612 HB2 LYS 74 HB2 LYS 74 -8.602 -1.454 12.905 613 HB3 LYS 74 HB3 LYS 74 -7.174 -2.392 12.410 614 HG2 LYS 74 HG2 LYS 74 -6.529 -2.729 14.747 615 HG3 LYS 74 HG3 LYS 74 -7.785 -1.593 15.265 616 HD2 LYS 74 HD2 LYS 74 -9.532 -3.221 14.588 617 HD3 LYS 74 HD3 LYS 74 -8.277 -4.334 14.034 618 HE2 LYS 74 HE2 LYS 74 -9.064 -4.914 16.308 619 HE3 LYS 74 HE3 LYS 74 -7.350 -4.518 16.276 620 HZ1 LYS 74 HZ1 LYS 74 -7.878 -2.312 17.100 621 HZ2 LYS 74 HZ2 LYS 74 -8.343 -3.454 18.142 622 HZ3 LYS 74 HZ3 LYS 74 -9.487 -2.690 17.211 623 H LYS 75 H LYS 75 -4.793 -1.189 11.626 624 HA LYS 75 HA LYS 75 -2.690 -1.076 13.708 625 HB2 LYS 75 HB2 LYS 75 -4.048 -3.243 13.818 626 HB3 LYS 75 HB3 LYS 75 -3.154 -3.737 12.408 627 HG2 LYS 75 HG2 LYS 75 -0.994 -3.410 13.686 628 HG3 LYS 75 HG3 LYS 75 -1.939 -2.835 15.065 629 HD2 LYS 75 HD2 LYS 75 -1.367 -5.084 15.524 630 HD3 LYS 75 HD3 LYS 75 -3.098 -5.054 15.143 631 HE2 LYS 75 HE2 LYS 75 -2.485 -5.750 12.765 632 HE3 LYS 75 HE3 LYS 75 -0.804 -5.871 13.278 633 HZ1 LYS 75 HZ1 LYS 75 -3.067 -7.493 14.271 634 HZ2 LYS 75 HZ2 LYS 75 -1.470 -7.639 14.781 635 HZ3 LYS 75 HZ3 LYS 75 -1.907 -7.986 13.240 636 H ILE 76 H ILE 76 -3.418 -0.059 10.898 637 HA ILE 76 HA ILE 76 -0.792 -0.561 9.608 638 HB ILE 76 HB ILE 76 -3.377 -0.720 7.988 639 HG12 ILE 76 HG12 ILE 76 -1.544 -3.000 8.853 640 HG13 ILE 76 HG13 ILE 76 -3.154 -2.719 9.488 641 HG21 ILE 76 HG21 ILE 76 -1.697 -1.515 6.257 642 HG22 ILE 76 HG22 ILE 76 -1.390 0.131 6.799 643 HG23 ILE 76 HG23 ILE 76 -0.412 -1.224 7.419 644 HD11 ILE 76 HD11 ILE 76 -4.188 -3.709 7.796 645 HD12 ILE 76 HD12 ILE 76 -3.179 -2.990 6.544 646 HD13 ILE 76 HD13 ILE 76 -2.597 -4.405 7.443 647 H GLU 77 H GLU 77 0.104 1.312 9.100 648 HA GLU 77 HA GLU 77 -1.320 3.830 9.497 649 HB2 GLU 77 HB2 GLU 77 1.545 2.992 8.892 650 HB3 GLU 77 HB3 GLU 77 1.017 4.691 8.931 651 HG2 GLU 77 HG2 GLU 77 0.255 4.478 11.211 652 HG3 GLU 77 HG3 GLU 77 0.520 2.734 11.217 653 H ILE 78 H ILE 78 -2.298 4.972 7.816 654 HA ILE 78 HA ILE 78 -1.817 3.964 5.076 655 HB ILE 78 HB ILE 78 -4.015 5.769 6.132 656 HG12 ILE 78 HG12 ILE 78 -5.001 3.221 5.287 657 HG13 ILE 78 HG13 ILE 78 -3.626 2.837 6.271 658 HG21 ILE 78 HG21 ILE 78 -5.117 5.257 3.982 659 HG22 ILE 78 HG22 ILE 78 -3.532 5.991 3.691 660 HG23 ILE 78 HG23 ILE 78 -3.739 4.249 3.486 661 HD11 ILE 78 HD11 ILE 78 -4.575 4.178 8.147 662 HD12 ILE 78 HD12 ILE 78 -5.975 4.584 7.129 663 HD13 ILE 78 HD13 ILE 78 -5.671 2.896 7.579 664 H TYR 79 H TYR 79 -0.821 5.054 3.578 665 HA TYR 79 HA TYR 79 0.345 7.713 4.196 666 HB2 TYR 79 HB2 TYR 79 1.456 5.189 2.944 667 HB3 TYR 79 HB3 TYR 79 2.122 6.757 2.540 668 HD1 TYR 79 HD1 TYR 79 1.386 4.589 5.538 669 HD2 TYR 79 HD2 TYR 79 3.727 7.790 3.880 670 HE1 TYR 79 HE1 TYR 79 2.992 4.428 7.465 671 HE2 TYR 79 HE2 TYR 79 5.318 7.635 5.742 672 HH TYR 79 HH TYR 79 6.048 5.780 7.454 673 H HIS 80 H HIS 80 0.643 9.130 2.428 674 HA HIS 80 HA HIS 80 -1.415 8.711 0.348 675 HB2 HIS 80 HB2 HIS 80 -0.964 10.964 1.778 676 HB3 HIS 80 HB3 HIS 80 0.217 11.228 0.517 677 HD1 HIS 80 HD1 HIS 80 -1.168 13.244 -0.694 678 HD2 HIS 80 HD2 HIS 80 -3.264 9.597 -0.243 679 HE1 HIS 80 HE1 HIS 80 -3.373 13.449 -1.974 680 H ALA 81 H ALA 81 -0.903 8.584 -1.808 681 HA ALA 81 HA ALA 81 1.892 8.180 -2.620 682 HB1 ALA 81 HB1 ALA 81 0.064 6.978 -3.812 683 HB2 ALA 81 HB2 ALA 81 -0.656 8.546 -4.260 684 HB3 ALA 81 HB3 ALA 81 0.928 8.078 -4.907 685 H GLU 82 H GLU 82 3.082 9.739 -3.733 686 HA GLU 82 HA GLU 82 2.091 12.561 -3.734 687 HB2 GLU 82 HB2 GLU 82 4.781 11.267 -3.229 688 HB3 GLU 82 HB3 GLU 82 4.707 12.915 -3.825 689 HG2 GLU 82 HG2 GLU 82 3.267 12.002 -1.311 690 HG3 GLU 82 HG3 GLU 82 4.894 12.674 -1.328 691 H GLY 83 H GLY 83 2.024 10.144 -5.837 692 HA2 GLY 83 HA2 GLY 83 2.364 11.832 -8.146 693 HA3 GLY 83 HA3 GLY 83 3.729 10.756 -7.894 694 H ASP 84 H ASP 84 2.550 10.209 -10.177 695 HA ASP 84 HA ASP 84 0.810 7.803 -9.756 696 HB2 ASP 84 HB2 ASP 84 1.436 9.529 -12.186 697 HB3 ASP 84 HB3 ASP 84 0.637 7.948 -12.284 698 H ASP 85 H ASP 85 4.026 8.799 -10.223 699 HA ASP 85 HA ASP 85 5.027 6.458 -11.665 700 HB2 ASP 85 HB2 ASP 85 6.218 8.790 -11.421 701 HB3 ASP 85 HB3 ASP 85 6.673 8.262 -9.899 702 H VAL 86 H VAL 86 4.622 4.579 -10.621 703 HA VAL 86 HA VAL 86 4.519 4.087 -7.814 704 HB VAL 86 HB VAL 86 5.431 2.315 -10.088 705 HG11 VAL 86 HG11 VAL 86 4.742 0.447 -8.473 706 HG12 VAL 86 HG12 VAL 86 6.293 1.260 -8.176 707 HG13 VAL 86 HG13 VAL 86 4.891 1.649 -7.166 708 HG21 VAL 86 HG21 VAL 86 2.747 2.268 -8.687 709 HG22 VAL 86 HG22 VAL 86 3.047 3.164 -10.201 710 HG23 VAL 86 HG23 VAL 86 3.290 1.424 -10.160 711 H ASP 87 H ASP 87 7.372 4.163 -10.048 712 HA ASP 87 HA ASP 87 9.067 2.969 -8.064 713 HB2 ASP 87 HB2 ASP 87 9.570 4.216 -10.769 714 HB3 ASP 87 HB3 ASP 87 10.916 3.770 -9.722 715 H LYS 88 H LYS 88 8.426 6.386 -9.052 716 HA LYS 88 HA LYS 88 10.168 7.605 -7.182 717 HB2 LYS 88 HB2 LYS 88 8.740 8.766 -8.969 718 HB3 LYS 88 HB3 LYS 88 7.348 8.491 -7.952 719 HG2 LYS 88 HG2 LYS 88 8.336 10.783 -7.882 720 HG3 LYS 88 HG3 LYS 88 8.024 10.026 -6.319 721 HD2 LYS 88 HD2 LYS 88 10.270 9.817 -5.783 722 HD3 LYS 88 HD3 LYS 88 10.785 9.748 -7.460 723 HE2 LYS 88 HE2 LYS 88 11.531 11.791 -6.350 724 HE3 LYS 88 HE3 LYS 88 10.562 12.087 -7.787 725 HZ1 LYS 88 HZ1 LYS 88 10.167 13.469 -5.759 726 HZ2 LYS 88 HZ2 LYS 88 9.403 12.211 -5.088 727 HZ3 LYS 88 HZ3 LYS 88 8.821 12.886 -6.514 728 H ASN 89 H ASN 89 6.832 6.301 -6.766 729 HA ASN 89 HA ASN 89 6.641 7.356 -4.066 730 HB2 ASN 89 HB2 ASN 89 4.921 5.591 -5.822 731 HB3 ASN 89 HB3 ASN 89 4.550 5.811 -4.109 732 HD21 ASN 89 HD21 ASN 89 5.041 7.738 -7.112 733 HD22 ASN 89 HD22 ASN 89 4.317 9.198 -6.449 734 H ILE 90 H ILE 90 7.718 4.252 -5.401 735 HA ILE 90 HA ILE 90 7.691 2.828 -2.872 736 HB ILE 90 HB ILE 90 9.021 2.459 -5.563 737 HG12 ILE 90 HG12 ILE 90 7.022 0.732 -4.047 738 HG13 ILE 90 HG13 ILE 90 6.619 1.841 -5.321 739 HG21 ILE 90 HG21 ILE 90 9.433 0.680 -3.080 740 HG22 ILE 90 HG22 ILE 90 9.998 0.299 -4.721 741 HG23 ILE 90 HG23 ILE 90 10.687 1.652 -3.888 742 HD11 ILE 90 HD11 ILE 90 6.645 -0.346 -6.253 743 HD12 ILE 90 HD12 ILE 90 8.080 0.500 -6.879 744 HD13 ILE 90 HD13 ILE 90 8.233 -0.713 -5.583 745 H SER 91 H SER 91 10.249 4.547 -4.813 746 HA SER 91 HA SER 91 12.176 4.225 -2.817 747 HB2 SER 91 HB2 SER 91 13.420 6.009 -4.025 748 HB3 SER 91 HB3 SER 91 12.888 4.655 -5.011 749 HG SER 91 HG SER 91 11.353 5.865 -5.951 750 H LEU 92 H LEU 92 9.876 6.940 -3.213 751 HA LEU 92 HA LEU 92 10.849 8.528 -1.058 752 HB2 LEU 92 HB2 LEU 92 8.039 8.104 -2.148 753 HB3 LEU 92 HB3 LEU 92 8.419 9.296 -0.918 754 HG LEU 92 HG LEU 92 9.721 9.353 -3.655 755 HD11 LEU 92 HD11 LEU 92 7.262 10.853 -2.659 756 HD12 LEU 92 HD12 LEU 92 7.262 9.557 -3.882 757 HD13 LEU 92 HD13 LEU 92 8.053 11.104 -4.220 758 HD21 LEU 92 HD21 LEU 92 10.232 11.674 -3.144 759 HD22 LEU 92 HD22 LEU 92 10.885 10.645 -1.872 760 HD23 LEU 92 HD23 LEU 92 9.384 11.567 -1.611 761 H PHE 93 H PHE 93 8.820 5.582 -1.023 762 HA PHE 93 HA PHE 93 7.975 5.984 1.730 763 HB2 PHE 93 HB2 PHE 93 6.608 4.685 0.205 764 HB3 PHE 93 HB3 PHE 93 7.914 3.556 -0.094 765 HD1 PHE 93 HD1 PHE 93 5.771 4.913 2.699 766 HD2 PHE 93 HD2 PHE 93 8.279 1.685 1.279 767 HE1 PHE 93 HE1 PHE 93 5.173 3.575 4.696 768 HE2 PHE 93 HE2 PHE 93 7.589 0.324 3.221 769 HZ PHE 93 HZ PHE 93 6.088 1.276 4.961 770 H ILE 94 H ILE 94 10.525 4.037 0.149 771 HA ILE 94 HA ILE 94 11.591 2.663 2.310 772 HB ILE 94 HB ILE 94 13.042 3.999 -0.011 773 HG12 ILE 94 HG12 ILE 94 12.203 1.072 0.224 774 HG13 ILE 94 HG13 ILE 94 11.206 2.274 -0.561 775 HG21 ILE 94 HG21 ILE 94 13.975 1.727 1.779 776 HG22 ILE 94 HG22 ILE 94 14.839 2.364 0.364 777 HG23 ILE 94 HG23 ILE 94 14.643 3.378 1.775 778 HD11 ILE 94 HD11 ILE 94 13.447 2.816 -1.938 779 HD12 ILE 94 HD12 ILE 94 13.861 1.178 -1.444 780 HD13 ILE 94 HD13 ILE 94 12.401 1.458 -2.390 781 H GLU 95 H GLU 95 12.536 5.951 1.194 782 HA GLU 95 HA GLU 95 14.208 6.503 3.498 783 HB2 GLU 95 HB2 GLU 95 13.094 7.977 1.115 784 HB3 GLU 95 HB3 GLU 95 13.695 8.958 2.436 785 HG2 GLU 95 HG2 GLU 95 15.467 6.687 1.485 786 HG3 GLU 95 HG3 GLU 95 15.252 8.054 0.405 787 H GLY 96 H GLY 96 10.756 6.620 2.997 788 HA2 GLY 96 HA2 GLY 96 9.066 7.190 4.418 789 HA3 GLY 96 HA3 GLY 96 10.240 7.559 5.677 790 H GLU 97 H GLU 97 10.259 8.972 2.400 791 HA GLU 97 HA GLU 97 9.874 11.719 3.244 792 HB2 GLU 97 HB2 GLU 97 10.434 10.128 0.804 793 HB3 GLU 97 HB3 GLU 97 9.340 11.485 0.540 794 HG2 GLU 97 HG2 GLU 97 12.038 11.732 1.918 795 HG3 GLU 97 HG3 GLU 97 11.798 11.875 0.192 796 H LEU 98 H LEU 98 7.798 9.073 1.944 797 HA LEU 98 HA LEU 98 5.580 10.736 1.309 798 HB2 LEU 98 HB2 LEU 98 5.502 7.837 2.247 799 HB3 LEU 98 HB3 LEU 98 4.139 8.719 1.581 800 HG LEU 98 HG LEU 98 6.654 7.917 0.094 801 HD11 LEU 98 HD11 LEU 98 4.938 6.164 0.563 802 HD12 LEU 98 HD12 LEU 98 5.092 6.519 -1.172 803 HD13 LEU 98 HD13 LEU 98 3.722 7.160 -0.250 804 HD21 LEU 98 HD21 LEU 98 5.958 10.098 -0.794 805 HD22 LEU 98 HD22 LEU 98 4.269 9.551 -0.890 806 HD23 LEU 98 HD23 LEU 98 5.503 8.823 -1.937 807 H SER 99 H SER 99 3.832 11.487 2.264 808 HA SER 99 HA SER 99 3.812 11.868 5.107 809 HB2 SER 99 HB2 SER 99 1.982 12.501 2.761 810 HB3 SER 99 HB3 SER 99 1.645 13.047 4.420 811 HG SER 99 HG SER 99 3.492 14.223 4.399 812 H LYS 100 H LYS 100 2.417 11.017 6.600 813 HA LYS 100 HA LYS 100 0.665 8.762 5.840 814 HB2 LYS 100 HB2 LYS 100 1.208 10.100 8.534 815 HB3 LYS 100 HB3 LYS 100 -0.031 8.873 8.264 816 HG2 LYS 100 HG2 LYS 100 1.746 7.406 7.226 817 HG3 LYS 100 HG3 LYS 100 2.963 8.527 7.819 818 HD2 LYS 100 HD2 LYS 100 0.957 6.953 9.490 819 HD3 LYS 100 HD3 LYS 100 2.627 6.477 9.230 820 HE2 LYS 100 HE2 LYS 100 1.814 9.063 10.575 821 HE3 LYS 100 HE3 LYS 100 2.090 7.548 11.451 822 HZ1 LYS 100 HZ1 LYS 100 4.036 8.999 11.460 823 HZ2 LYS 100 HZ2 LYS 100 4.165 8.896 9.817 824 HZ3 LYS 100 HZ3 LYS 100 4.370 7.571 10.740 825 H ILE 101 H ILE 101 -1.593 8.935 6.013 826 HA ILE 101 HA ILE 101 -2.610 11.545 5.120 827 HB ILE 101 HB ILE 101 -3.854 8.773 5.387 828 HG12 ILE 101 HG12 ILE 101 -2.926 10.515 3.059 829 HG13 ILE 101 HG13 ILE 101 -2.193 9.008 3.616 830 HG21 ILE 101 HG21 ILE 101 -5.636 10.484 5.754 831 HG22 ILE 101 HG22 ILE 101 -5.208 11.238 4.206 832 HG23 ILE 101 HG23 ILE 101 -5.867 9.585 4.271 833 HD11 ILE 101 HD11 ILE 101 -4.787 9.407 2.132 834 HD12 ILE 101 HD12 ILE 101 -3.395 8.387 1.697 835 HD13 ILE 101 HD13 ILE 101 -4.467 7.906 3.022 836 H SER 102 H SER 102 -3.394 9.255 7.739 837 HA SER 102 HA SER 102 -4.586 9.416 9.595 838 HB2 SER 102 HB2 SER 102 -2.173 10.405 9.941 839 HB3 SER 102 HB3 SER 102 -3.067 11.861 10.391 840 HG SER 102 HG SER 102 -2.840 10.559 12.212 841 H ASN 103 H ASN 103 -6.631 9.850 8.563 842 HA ASN 103 HA ASN 103 -8.614 10.852 8.435 843 HB2 ASN 103 HB2 ASN 103 -7.802 11.468 10.901 844 HB3 ASN 103 HB3 ASN 103 -8.264 13.051 10.331 845 HD21 ASN 103 HD21 ASN 103 -9.811 9.721 9.713 846 HD22 ASN 103 HD22 ASN 103 -11.271 10.261 10.541 847 HA PRO 104 HA PRO 104 -6.913 13.746 5.317 848 HB2 PRO 104 HB2 PRO 104 -8.782 13.257 3.355 849 HB3 PRO 104 HB3 PRO 104 -7.406 12.167 3.692 850 HG2 PRO 104 HG2 PRO 104 -10.259 11.935 4.710 851 HG3 PRO 104 HG3 PRO 104 -9.249 10.660 3.957 852 HD2 PRO 104 HD2 PRO 104 -9.469 10.918 6.667 853 HD3 PRO 104 HD3 PRO 104 -7.927 10.426 5.909 Start of MODEL 13 1 H1 GLY -2 H GLY -2 20.935 4.966 7.198 2 HA2 GLY -2 HA2 GLY -2 18.759 3.789 7.547 3 HA3 GLY -2 HA3 GLY -2 19.153 4.102 5.847 4 H HIS -1 H HIS -1 17.788 1.774 7.634 5 HA HIS -1 HA HIS -1 18.324 -0.208 5.639 6 HB2 HIS -1 HB2 HIS -1 18.620 -1.989 7.566 7 HB3 HIS -1 HB3 HIS -1 19.985 -1.264 6.758 8 HD1 HIS -1 HD1 HIS -1 18.542 -1.634 10.186 9 HD2 HIS -1 HD2 HIS -1 21.386 0.649 8.081 10 HE1 HIS -1 HE1 HIS -1 19.926 -0.382 11.959 11 H MET 1 H MET 1 16.650 -1.891 5.681 12 HA MET 1 HA MET 1 14.667 -1.732 7.773 13 HB2 MET 1 HB2 MET 1 13.745 -0.018 6.184 14 HB3 MET 1 HB3 MET 1 13.761 -1.232 4.900 15 HG2 MET 1 HG2 MET 1 11.537 -1.055 5.928 16 HG3 MET 1 HG3 MET 1 12.228 -2.652 6.153 17 HE1 MET 1 HE1 MET 1 10.459 -2.833 9.458 18 HE2 MET 1 HE2 MET 1 9.657 -1.911 8.161 19 HE3 MET 1 HE3 MET 1 10.588 -3.378 7.781 20 H ILE 2 H ILE 2 14.152 -3.812 8.241 21 HA ILE 2 HA ILE 2 14.534 -5.899 6.157 22 HB ILE 2 HB ILE 2 14.525 -6.127 9.178 23 HG12 ILE 2 HG12 ILE 2 16.881 -6.697 7.313 24 HG13 ILE 2 HG13 ILE 2 16.632 -5.107 8.002 25 HG21 ILE 2 HG21 ILE 2 13.625 -8.132 8.321 26 HG22 ILE 2 HG22 ILE 2 14.831 -8.219 7.015 27 HG23 ILE 2 HG23 ILE 2 15.297 -8.519 8.703 28 HD11 ILE 2 HD11 ILE 2 17.081 -7.644 9.615 29 HD12 ILE 2 HD12 ILE 2 18.209 -6.300 9.378 30 HD13 ILE 2 HD13 ILE 2 16.700 -6.048 10.282 31 H ASN 3 H ASN 3 12.812 -7.421 5.860 32 HA ASN 3 HA ASN 3 10.755 -8.181 5.760 33 HB2 ASN 3 HB2 ASN 3 11.662 -9.059 7.816 34 HB3 ASN 3 HB3 ASN 3 11.061 -7.647 8.707 35 HD21 ASN 3 HD21 ASN 3 9.544 -8.462 10.054 36 HD22 ASN 3 HD22 ASN 3 8.205 -9.504 9.591 37 H MET 4 H MET 4 10.633 -5.467 4.969 38 HA MET 4 HA MET 4 8.283 -4.211 6.262 39 HB2 MET 4 HB2 MET 4 10.266 -2.944 5.337 40 HB3 MET 4 HB3 MET 4 9.843 -3.567 3.756 41 HG2 MET 4 HG2 MET 4 9.066 -1.459 3.649 42 HG3 MET 4 HG3 MET 4 7.607 -2.351 4.031 43 HE1 MET 4 HE1 MET 4 10.235 0.500 6.133 44 HE2 MET 4 HE2 MET 4 9.705 0.516 4.433 45 HE3 MET 4 HE3 MET 4 8.832 1.435 5.655 46 H LYS 5 H LYS 5 6.254 -4.091 5.164 47 HA LYS 5 HA LYS 5 6.022 -5.324 2.472 48 HB2 LYS 5 HB2 LYS 5 4.350 -6.065 4.888 49 HB3 LYS 5 HB3 LYS 5 3.644 -5.985 3.273 50 HG2 LYS 5 HG2 LYS 5 5.496 -7.582 2.506 51 HG3 LYS 5 HG3 LYS 5 5.807 -7.840 4.234 52 HD2 LYS 5 HD2 LYS 5 2.948 -8.002 3.886 53 HD3 LYS 5 HD3 LYS 5 3.629 -8.879 2.532 54 HE2 LYS 5 HE2 LYS 5 4.370 -9.285 5.434 55 HE3 LYS 5 HE3 LYS 5 3.138 -10.239 4.571 56 HZ1 LYS 5 HZ1 LYS 5 5.002 -11.504 4.431 57 HZ2 LYS 5 HZ2 LYS 5 6.033 -10.247 4.287 58 HZ3 LYS 5 HZ3 LYS 5 5.092 -10.707 2.975 59 H VAL 6 H VAL 6 4.617 -3.973 1.168 60 HA VAL 6 HA VAL 6 2.757 -2.249 2.623 61 HB VAL 6 HB VAL 6 4.878 -1.315 0.652 62 HG11 VAL 6 HG11 VAL 6 3.830 0.844 0.568 63 HG12 VAL 6 HG12 VAL 6 2.742 -0.351 -0.124 64 HG13 VAL 6 HG13 VAL 6 2.437 0.275 1.516 65 HG21 VAL 6 HG21 VAL 6 5.036 0.487 2.453 66 HG22 VAL 6 HG22 VAL 6 4.108 -0.598 3.488 67 HG23 VAL 6 HG23 VAL 6 5.685 -1.118 2.852 68 H ALA 7 H ALA 7 0.828 -2.017 1.576 69 HA ALA 7 HA ALA 7 0.440 -3.497 -0.977 70 HB1 ALA 7 HB1 ALA 7 -1.977 -3.026 -0.507 71 HB2 ALA 7 HB2 ALA 7 -1.197 -3.979 0.775 72 HB3 ALA 7 HB3 ALA 7 -1.507 -2.246 1.009 73 H ILE 8 H ILE 8 1.148 -2.189 -2.682 74 HA ILE 8 HA ILE 8 0.329 0.670 -2.716 75 HB ILE 8 HB ILE 8 2.112 -0.930 -4.618 76 HG12 ILE 8 HG12 ILE 8 2.679 0.857 -2.266 77 HG13 ILE 8 HG13 ILE 8 3.257 -0.758 -2.549 78 HG21 ILE 8 HG21 ILE 8 0.899 0.984 -5.691 79 HG22 ILE 8 HG22 ILE 8 1.560 2.069 -4.457 80 HG23 ILE 8 HG23 ILE 8 2.629 1.261 -5.617 81 HD11 ILE 8 HD11 ILE 8 4.178 1.793 -3.949 82 HD12 ILE 8 HD12 ILE 8 5.083 0.809 -2.818 83 HD13 ILE 8 HD13 ILE 8 4.700 0.152 -4.419 84 H SER 9 H SER 9 -1.962 0.843 -3.477 85 HA SER 9 HA SER 9 -3.014 -1.370 -5.006 86 HB2 SER 9 HB2 SER 9 -4.882 0.113 -5.433 87 HB3 SER 9 HB3 SER 9 -4.397 0.265 -3.755 88 HG SER 9 HG SER 9 -4.738 2.247 -4.753 89 H MET 10 H MET 10 -3.433 -1.498 -7.292 90 HA MET 10 HA MET 10 -2.170 0.493 -9.065 91 HB2 MET 10 HB2 MET 10 -1.872 -2.496 -9.404 92 HB3 MET 10 HB3 MET 10 -1.211 -1.251 -10.464 93 HG2 MET 10 HG2 MET 10 -0.027 -0.546 -8.117 94 HG3 MET 10 HG3 MET 10 -0.313 -2.280 -7.811 95 HE1 MET 10 HE1 MET 10 0.681 -1.088 -11.550 96 HE2 MET 10 HE2 MET 10 1.166 0.220 -10.440 97 HE3 MET 10 HE3 MET 10 2.398 -0.767 -11.254 98 H ASP 11 H ASP 11 -3.039 0.372 -11.193 99 HA ASP 11 HA ASP 11 -5.810 -0.793 -11.402 100 HB2 ASP 11 HB2 ASP 11 -4.964 1.813 -11.833 101 HB3 ASP 11 HB3 ASP 11 -4.885 1.160 -13.445 102 H VAL 12 H VAL 12 -3.076 -0.118 -13.791 103 HA VAL 12 HA VAL 12 -3.181 -2.966 -14.531 104 HB VAL 12 HB VAL 12 -3.534 -0.637 -16.501 105 HG11 VAL 12 HG11 VAL 12 -2.219 -2.411 -17.496 106 HG12 VAL 12 HG12 VAL 12 -3.376 -3.649 -16.956 107 HG13 VAL 12 HG13 VAL 12 -3.834 -2.464 -18.198 108 HG21 VAL 12 HG21 VAL 12 -5.688 -1.027 -15.405 109 HG22 VAL 12 HG22 VAL 12 -5.748 -1.622 -17.058 110 HG23 VAL 12 HG23 VAL 12 -5.571 -2.770 -15.723 111 H ASP 13 H ASP 13 -1.734 0.272 -15.057 112 HA ASP 13 HA ASP 13 0.891 -1.052 -15.234 113 HB2 ASP 13 HB2 ASP 13 1.588 0.553 -16.815 114 HB3 ASP 13 HB3 ASP 13 -0.046 0.142 -17.320 115 H LYS 14 H LYS 14 -0.942 1.490 -13.670 116 HA LYS 14 HA LYS 14 1.394 2.100 -11.940 117 HB2 LYS 14 HB2 LYS 14 0.903 4.514 -12.225 118 HB3 LYS 14 HB3 LYS 14 1.359 3.744 -13.746 119 HG2 LYS 14 HG2 LYS 14 -1.200 3.602 -14.174 120 HG3 LYS 14 HG3 LYS 14 -1.378 4.656 -12.779 121 HD2 LYS 14 HD2 LYS 14 0.230 6.258 -14.017 122 HD3 LYS 14 HD3 LYS 14 0.064 5.183 -15.426 123 HE2 LYS 14 HE2 LYS 14 -2.379 5.476 -15.377 124 HE3 LYS 14 HE3 LYS 14 -2.214 6.449 -13.892 125 HZ1 LYS 14 HZ1 LYS 14 -1.107 7.200 -16.532 126 HZ2 LYS 14 HZ2 LYS 14 -1.049 8.118 -15.165 127 HZ3 LYS 14 HZ3 LYS 14 -2.484 7.829 -15.893 128 H ILE 15 H ILE 15 0.538 3.763 -10.283 129 HA ILE 15 HA ILE 15 -1.179 2.564 -8.444 130 HB ILE 15 HB ILE 15 -0.121 5.370 -8.955 131 HG12 ILE 15 HG12 ILE 15 0.571 3.545 -6.626 132 HG13 ILE 15 HG13 ILE 15 1.326 3.324 -8.192 133 HG21 ILE 15 HG21 ILE 15 -1.840 4.548 -6.605 134 HG22 ILE 15 HG22 ILE 15 -0.785 5.981 -6.600 135 HG23 ILE 15 HG23 ILE 15 -2.103 5.860 -7.762 136 HD11 ILE 15 HD11 ILE 15 1.485 5.877 -6.554 137 HD12 ILE 15 HD12 ILE 15 2.758 4.668 -6.776 138 HD13 ILE 15 HD13 ILE 15 2.199 5.626 -8.161 139 H SER 16 H SER 16 -3.352 2.461 -8.254 140 HA SER 16 HA SER 16 -5.115 3.536 -10.322 141 HB2 SER 16 HB2 SER 16 -5.443 1.340 -9.015 142 HB3 SER 16 HB3 SER 16 -5.866 2.355 -7.627 143 HG SER 16 HG SER 16 -7.228 2.093 -10.128 144 H ASN 17 H ASN 17 -7.271 4.523 -9.267 145 HA ASN 17 HA ASN 17 -6.367 7.111 -8.205 146 HB2 ASN 17 HB2 ASN 17 -7.960 6.972 -10.116 147 HB3 ASN 17 HB3 ASN 17 -9.160 6.330 -9.000 148 HD21 ASN 17 HD21 ASN 17 -10.560 8.017 -8.299 149 HD22 ASN 17 HD22 ASN 17 -10.013 9.680 -8.046 150 H SER 18 H SER 18 -8.272 4.301 -6.901 151 HA SER 18 HA SER 18 -8.127 5.556 -4.270 152 HB2 SER 18 HB2 SER 18 -10.682 5.510 -4.036 153 HB3 SER 18 HB3 SER 18 -9.942 6.873 -4.874 154 HG SER 18 HG SER 18 -11.739 5.078 -5.706 155 H PHE 19 H PHE 19 -8.688 4.175 -2.537 156 HA PHE 19 HA PHE 19 -7.751 1.568 -2.861 157 HB2 PHE 19 HB2 PHE 19 -7.704 2.935 -0.810 158 HB3 PHE 19 HB3 PHE 19 -9.459 2.811 -0.687 159 HD1 PHE 19 HD2 PHE 19 -10.546 0.847 0.207 160 HD2 PHE 19 HD1 PHE 19 -6.234 1.041 -0.070 161 HE1 PHE 19 HE2 PHE 19 -10.338 -0.973 1.881 162 HE2 PHE 19 HE1 PHE 19 -6.065 -0.841 1.491 163 HZ PHE 19 HZ PHE 19 -8.094 -1.808 2.534 164 H GLU 20 H GLU 20 -11.119 2.762 -3.027 165 HA GLU 20 HA GLU 20 -12.313 0.075 -3.097 166 HB2 GLU 20 HB2 GLU 20 -13.211 2.917 -2.711 167 HB3 GLU 20 HB3 GLU 20 -14.375 1.774 -3.338 168 HG2 GLU 20 HG2 GLU 20 -12.776 1.279 -0.826 169 HG3 GLU 20 HG3 GLU 20 -14.345 2.084 -0.842 170 H ASP 21 H ASP 21 -10.622 1.594 -5.369 171 HA ASP 21 HA ASP 21 -12.461 0.893 -7.619 172 HB2 ASP 21 HB2 ASP 21 -12.506 3.311 -7.053 173 HB3 ASP 21 HB3 ASP 21 -10.734 3.346 -7.111 174 H CYS 22 H CYS 22 -9.459 0.392 -6.177 175 HA CYS 22 HA CYS 22 -7.850 0.223 -8.588 176 HB2 CYS 22 HB2 CYS 22 -6.216 -0.867 -6.995 177 HB3 CYS 22 HB3 CYS 22 -6.744 0.759 -6.505 178 HG CYS 22 HG CYS 22 -8.440 -1.878 -5.534 179 H LYS 23 H LYS 23 -6.756 -1.746 -9.227 180 HA LYS 23 HA LYS 23 -8.808 -3.881 -9.529 181 HB2 LYS 23 HB2 LYS 23 -6.349 -3.026 -11.066 182 HB3 LYS 23 HB3 LYS 23 -7.167 -4.543 -11.400 183 HG2 LYS 23 HG2 LYS 23 -7.791 -2.666 -12.954 184 HG3 LYS 23 HG3 LYS 23 -9.112 -3.506 -12.169 185 HD2 LYS 23 HD2 LYS 23 -9.451 -1.644 -10.603 186 HD3 LYS 23 HD3 LYS 23 -8.081 -0.799 -11.305 187 HE2 LYS 23 HE2 LYS 23 -10.047 0.180 -12.138 188 HE3 LYS 23 HE3 LYS 23 -9.375 -0.745 -13.493 189 HZ1 LYS 23 HZ1 LYS 23 -11.130 -2.191 -13.395 190 HZ2 LYS 23 HZ2 LYS 23 -11.892 -0.903 -12.737 191 HZ3 LYS 23 HZ3 LYS 23 -11.326 -2.064 -11.739 192 H TYR 24 H TYR 24 -5.476 -3.263 -8.347 193 HA TYR 24 HA TYR 24 -5.726 -5.643 -6.747 194 HB2 TYR 24 HB2 TYR 24 -3.895 -6.864 -7.551 195 HB3 TYR 24 HB3 TYR 24 -4.899 -6.555 -8.935 196 HD1 TYR 24 HD2 TYR 24 -4.227 -4.787 -10.623 197 HD2 TYR 24 HD1 TYR 24 -1.591 -6.293 -7.582 198 HE1 TYR 24 HE2 TYR 24 -2.229 -4.074 -11.965 199 HE2 TYR 24 HE1 TYR 24 0.277 -5.490 -8.641 200 HH TYR 24 HH TYR 24 0.410 -4.968 -11.954 201 H PHE 25 H PHE 25 -3.762 -5.968 -5.388 202 HA PHE 25 HA PHE 25 -2.512 -3.394 -4.576 203 HB2 PHE 25 HB2 PHE 25 -3.124 -5.873 -2.913 204 HB3 PHE 25 HB3 PHE 25 -2.373 -4.398 -2.343 205 HD1 PHE 25 HD2 PHE 25 -3.728 -2.176 -2.662 206 HD2 PHE 25 HD1 PHE 25 -5.452 -6.132 -2.836 207 HE1 PHE 25 HE2 PHE 25 -6.014 -1.202 -2.370 208 HE2 PHE 25 HE1 PHE 25 -7.716 -5.148 -2.510 209 HZ PHE 25 HZ PHE 25 -7.987 -2.693 -2.385 210 H LEU 26 H LEU 26 -0.460 -3.349 -5.166 211 HA LEU 26 HA LEU 26 1.059 -5.769 -5.630 212 HB2 LEU 26 HB2 LEU 26 1.253 -3.536 -6.942 213 HB3 LEU 26 HB3 LEU 26 2.192 -2.964 -5.579 214 HG LEU 26 HG LEU 26 3.668 -3.721 -7.267 215 HD11 LEU 26 HD11 LEU 26 3.754 -6.218 -5.639 216 HD12 LEU 26 HD12 LEU 26 4.041 -4.619 -4.817 217 HD13 LEU 26 HD13 LEU 26 5.048 -5.122 -6.159 218 HD21 LEU 26 HD21 LEU 26 2.332 -5.104 -8.662 219 HD22 LEU 26 HD22 LEU 26 2.207 -6.377 -7.394 220 HD23 LEU 26 HD23 LEU 26 3.735 -6.021 -8.183 221 H ILE 27 H ILE 27 1.450 -6.806 -3.689 222 HA ILE 27 HA ILE 27 2.133 -5.402 -1.210 223 HB ILE 27 HB ILE 27 2.492 -8.380 -1.607 224 HG12 ILE 27 HG12 ILE 27 0.152 -7.963 -2.215 225 HG13 ILE 27 HG13 ILE 27 0.257 -8.713 -0.634 226 HG21 ILE 27 HG21 ILE 27 2.110 -6.620 0.821 227 HG22 ILE 27 HG22 ILE 27 2.159 -8.405 0.817 228 HG23 ILE 27 HG23 ILE 27 3.580 -7.463 0.310 229 HD11 ILE 27 HD11 ILE 27 -1.458 -6.923 -0.712 230 HD12 ILE 27 HD12 ILE 27 -0.195 -6.538 0.464 231 HD13 ILE 27 HD13 ILE 27 -0.229 -5.733 -1.121 232 H VAL 28 H VAL 28 3.916 -4.223 -1.621 233 HA VAL 28 HA VAL 28 6.330 -5.062 -2.956 234 HB VAL 28 HB VAL 28 5.655 -2.980 -0.823 235 HG11 VAL 28 HG11 VAL 28 8.278 -3.447 -2.263 236 HG12 VAL 28 HG12 VAL 28 7.843 -1.878 -1.576 237 HG13 VAL 28 HG13 VAL 28 7.996 -3.291 -0.519 238 HG21 VAL 28 HG21 VAL 28 6.161 -2.747 -3.812 239 HG22 VAL 28 HG22 VAL 28 4.589 -2.579 -3.012 240 HG23 VAL 28 HG23 VAL 28 5.870 -1.396 -2.709 241 H ARG 29 H ARG 29 8.239 -5.922 -2.021 242 HA ARG 29 HA ARG 29 8.252 -6.446 0.891 243 HB2 ARG 29 HB2 ARG 29 8.727 -8.387 -1.311 244 HB3 ARG 29 HB3 ARG 29 10.043 -8.275 -0.147 245 HG2 ARG 29 HG2 ARG 29 8.241 -8.608 1.686 246 HG3 ARG 29 HG3 ARG 29 7.165 -9.091 0.343 247 HD2 ARG 29 HD2 ARG 29 9.004 -10.669 -0.415 248 HD3 ARG 29 HD3 ARG 29 9.904 -10.276 1.034 249 HE ARG 29 HE ARG 29 7.713 -12.081 0.752 250 HH11 ARG 29 HH11 ARG 29 9.455 -10.058 3.173 251 HH12 ARG 29 HH12 ARG 29 9.140 -11.162 4.461 252 HH21 ARG 29 HH21 ARG 29 7.433 -13.498 2.484 253 HH22 ARG 29 HH22 ARG 29 7.638 -12.994 4.121 254 H ILE 30 H ILE 30 9.984 -5.646 1.798 255 HA ILE 30 HA ILE 30 12.400 -4.965 0.280 256 HB ILE 30 HB ILE 30 10.758 -3.118 2.012 257 HG12 ILE 30 HG12 ILE 30 12.258 -2.146 -0.379 258 HG13 ILE 30 HG13 ILE 30 10.814 -3.136 -0.642 259 HG21 ILE 30 HG21 ILE 30 12.710 -1.546 2.151 260 HG22 ILE 30 HG22 ILE 30 12.856 -3.001 3.147 261 HG23 ILE 30 HG23 ILE 30 13.730 -2.886 1.608 262 HD11 ILE 30 HD11 ILE 30 9.455 -1.641 0.743 263 HD12 ILE 30 HD12 ILE 30 10.867 -0.622 1.078 264 HD13 ILE 30 HD13 ILE 30 10.239 -0.746 -0.581 265 H ASP 31 H ASP 31 14.228 -5.439 1.603 266 HA ASP 31 HA ASP 31 13.640 -6.542 4.307 267 HB2 ASP 31 HB2 ASP 31 13.273 -8.335 2.478 268 HB3 ASP 31 HB3 ASP 31 15.049 -8.337 2.365 269 H ASP 32 H ASP 32 15.746 -4.914 2.328 270 HA ASP 32 HA ASP 32 17.323 -4.495 4.632 271 HB2 ASP 32 HB2 ASP 32 18.573 -6.457 3.718 272 HB3 ASP 32 HB3 ASP 32 18.887 -5.542 2.249 273 H ASN 33 H ASN 33 15.664 -2.938 3.723 274 HA ASN 33 HA ASN 33 15.094 -0.896 3.031 275 HB2 ASN 33 HB2 ASN 33 17.698 -0.493 3.722 276 HB3 ASN 33 HB3 ASN 33 17.746 -0.010 2.055 277 HD21 ASN 33 HD21 ASN 33 15.451 0.427 4.877 278 HD22 ASN 33 HD22 ASN 33 15.366 2.153 4.668 279 H GLU 34 H GLU 34 16.846 -2.863 0.707 280 HA GLU 34 HA GLU 34 15.891 -1.389 -1.601 281 HB2 GLU 34 HB2 GLU 34 18.146 -2.228 -1.582 282 HB3 GLU 34 HB3 GLU 34 17.634 -3.765 -0.915 283 HG2 GLU 34 HG2 GLU 34 18.383 -4.106 -3.107 284 HG3 GLU 34 HG3 GLU 34 16.659 -4.409 -3.013 285 H VAL 35 H VAL 35 14.730 -2.530 -3.229 286 HA VAL 35 HA VAL 35 12.395 -4.019 -2.284 287 HB VAL 35 HB VAL 35 12.000 -2.451 -4.020 288 HG11 VAL 35 HG11 VAL 35 14.128 -2.206 -5.144 289 HG12 VAL 35 HG12 VAL 35 14.044 -3.866 -5.769 290 HG13 VAL 35 HG13 VAL 35 12.897 -2.632 -6.324 291 HG21 VAL 35 HG21 VAL 35 10.871 -3.807 -5.696 292 HG22 VAL 35 HG22 VAL 35 11.858 -5.218 -5.299 293 HG23 VAL 35 HG23 VAL 35 10.695 -4.568 -4.112 294 H LYS 36 H LYS 36 12.198 -6.177 -2.191 295 HA LYS 36 HA LYS 36 14.371 -7.842 -3.429 296 HB2 LYS 36 HB2 LYS 36 12.708 -8.425 -0.944 297 HB3 LYS 36 HB3 LYS 36 14.056 -9.385 -1.562 298 HG2 LYS 36 HG2 LYS 36 14.226 -6.540 -0.472 299 HG3 LYS 36 HG3 LYS 36 14.705 -8.011 0.341 300 HD2 LYS 36 HD2 LYS 36 16.439 -8.472 -1.244 301 HD3 LYS 36 HD3 LYS 36 16.014 -7.059 -2.231 302 HE2 LYS 36 HE2 LYS 36 16.642 -5.517 -0.558 303 HE3 LYS 36 HE3 LYS 36 16.814 -6.780 0.683 304 HZ1 LYS 36 HZ1 LYS 36 18.469 -6.849 -1.745 305 HZ2 LYS 36 HZ2 LYS 36 18.748 -7.562 -0.303 306 HZ3 LYS 36 HZ3 LYS 36 18.935 -5.924 -0.515 307 H SER 37 H SER 37 10.838 -7.513 -3.212 308 HA SER 37 HA SER 37 10.572 -9.266 -5.454 309 HB2 SER 37 HB2 SER 37 9.571 -10.218 -2.726 310 HB3 SER 37 HB3 SER 37 8.940 -10.833 -4.258 311 HG SER 37 HG SER 37 11.712 -10.853 -3.918 312 H THR 38 H THR 38 8.299 -9.296 -6.160 313 HA THR 38 HA THR 38 6.560 -7.265 -4.829 314 HB THR 38 HB THR 38 5.633 -7.000 -7.198 315 HG1 THR 38 HG1 THR 38 6.915 -8.865 -8.101 316 HG21 THR 38 HG21 THR 38 7.257 -5.407 -5.985 317 HG22 THR 38 HG22 THR 38 7.205 -5.306 -7.750 318 HG23 THR 38 HG23 THR 38 8.551 -6.148 -6.941 319 H LYS 39 H LYS 39 4.341 -7.840 -4.570 320 HA LYS 39 HA LYS 39 3.491 -10.453 -5.634 321 HB2 LYS 39 HB2 LYS 39 3.714 -9.663 -2.810 322 HB3 LYS 39 HB3 LYS 39 2.024 -9.732 -3.224 323 HG2 LYS 39 HG2 LYS 39 2.175 -11.788 -2.500 324 HG3 LYS 39 HG3 LYS 39 2.546 -12.124 -4.189 325 HD2 LYS 39 HD2 LYS 39 4.758 -11.354 -2.274 326 HD3 LYS 39 HD3 LYS 39 4.071 -12.965 -2.113 327 HE2 LYS 39 HE2 LYS 39 5.050 -11.962 -4.799 328 HE3 LYS 39 HE3 LYS 39 6.141 -12.773 -3.663 329 HZ1 LYS 39 HZ1 LYS 39 5.052 -14.190 -5.372 330 HZ2 LYS 39 HZ2 LYS 39 3.628 -14.022 -4.594 331 HZ3 LYS 39 HZ3 LYS 39 4.913 -14.728 -3.817 332 H VAL 40 H VAL 40 1.398 -10.347 -6.454 333 HA VAL 40 HA VAL 40 -0.266 -8.195 -5.642 334 HB VAL 40 HB VAL 40 0.145 -7.653 -7.475 335 HG11 VAL 40 HG11 VAL 40 0.373 -10.364 -8.680 336 HG12 VAL 40 HG12 VAL 40 0.299 -8.709 -9.508 337 HG13 VAL 40 HG13 VAL 40 1.612 -9.018 -8.399 338 HG21 VAL 40 HG21 VAL 40 -1.823 -8.264 -9.019 339 HG22 VAL 40 HG22 VAL 40 -1.953 -9.829 -8.180 340 HG23 VAL 40 HG23 VAL 40 -2.403 -8.316 -7.352 341 H ILE 41 H ILE 41 -2.065 -8.210 -4.803 342 HA ILE 41 HA ILE 41 -3.676 -10.699 -4.488 343 HB ILE 41 HB ILE 41 -3.453 -8.243 -2.674 344 HG12 ILE 41 HG12 ILE 41 -2.737 -11.155 -2.126 345 HG13 ILE 41 HG13 ILE 41 -1.593 -9.821 -2.330 346 HG21 ILE 41 HG21 ILE 41 -5.249 -10.688 -2.397 347 HG22 ILE 41 HG22 ILE 41 -5.165 -9.313 -1.270 348 HG23 ILE 41 HG23 ILE 41 -5.786 -9.061 -2.883 349 HD11 ILE 41 HD11 ILE 41 -1.728 -10.105 -0.014 350 HD12 ILE 41 HD12 ILE 41 -2.779 -8.710 -0.320 351 HD13 ILE 41 HD13 ILE 41 -3.483 -10.308 -0.020 352 H PHE 42 H PHE 42 -5.318 -10.482 -6.023 353 HA PHE 42 HA PHE 42 -5.865 -7.970 -7.326 354 HB2 PHE 42 HB2 PHE 42 -7.460 -10.564 -7.179 355 HB3 PHE 42 HB3 PHE 42 -7.868 -9.199 -8.213 356 HD1 PHE 42 HD1 PHE 42 -6.168 -8.366 -9.915 357 HD2 PHE 42 HD2 PHE 42 -5.746 -12.140 -7.860 358 HE1 PHE 42 HE1 PHE 42 -4.550 -9.167 -11.641 359 HE2 PHE 42 HE2 PHE 42 -4.072 -12.857 -9.555 360 HZ PHE 42 HZ PHE 42 -3.497 -11.381 -11.450 361 H ASN 43 H ASN 43 -7.479 -6.498 -6.943 362 HA ASN 43 HA ASN 43 -8.733 -6.466 -4.248 363 HB2 ASN 43 HB2 ASN 43 -7.714 -4.324 -5.026 364 HB3 ASN 43 HB3 ASN 43 -8.711 -4.394 -6.478 365 HD21 ASN 43 HD21 ASN 43 -10.411 -2.865 -6.252 366 HD22 ASN 43 HD22 ASN 43 -11.391 -2.742 -4.827 367 H ASP 44 H ASP 44 -10.379 -8.035 -4.437 368 HA ASP 44 HA ASP 44 -12.471 -7.341 -6.420 369 HB2 ASP 44 HB2 ASP 44 -10.695 -9.232 -7.181 370 HB3 ASP 44 HB3 ASP 44 -11.814 -10.266 -6.317 371 H GLU 45 H GLU 45 -11.831 -10.102 -4.249 372 HA GLU 45 HA GLU 45 -13.877 -9.198 -2.352 373 HB2 GLU 45 HB2 GLU 45 -15.028 -11.499 -2.613 374 HB3 GLU 45 HB3 GLU 45 -15.437 -10.194 -3.740 375 HG2 GLU 45 HG2 GLU 45 -14.370 -11.168 -5.547 376 HG3 GLU 45 HG3 GLU 45 -13.312 -12.143 -4.536 377 H SER 46 H SER 46 -12.167 -12.308 -3.255 378 HA SER 46 HA SER 46 -11.410 -13.022 -0.632 379 HB2 SER 46 HB2 SER 46 -10.057 -13.494 -3.329 380 HB3 SER 46 HB3 SER 46 -9.479 -14.184 -1.797 381 HG SER 46 HG SER 46 -10.821 -15.669 -2.074 382 H GLY 47 H GLY 47 -9.928 -10.732 -2.930 383 HA2 GLY 47 HA2 GLY 47 -7.463 -10.381 -1.936 384 HA3 GLY 47 HA3 GLY 47 -8.416 -9.024 -2.555 385 H LYS 48 H LYS 48 -10.183 -8.330 -0.867 386 HA LYS 48 HA LYS 48 -8.764 -7.068 1.259 387 HB2 LYS 48 HB2 LYS 48 -11.666 -7.401 0.425 388 HB3 LYS 48 HB3 LYS 48 -11.267 -6.544 1.936 389 HG2 LYS 48 HG2 LYS 48 -9.988 -4.916 0.857 390 HG3 LYS 48 HG3 LYS 48 -9.868 -5.798 -0.667 391 HD2 LYS 48 HD2 LYS 48 -11.419 -4.262 -1.258 392 HD3 LYS 48 HD3 LYS 48 -12.477 -5.573 -0.760 393 HE2 LYS 48 HE2 LYS 48 -12.614 -4.409 1.533 394 HE3 LYS 48 HE3 LYS 48 -11.655 -3.088 0.824 395 HZ1 LYS 48 HZ1 LYS 48 -13.459 -3.010 -0.906 396 HZ2 LYS 48 HZ2 LYS 48 -13.879 -2.432 0.539 397 HZ3 LYS 48 HZ3 LYS 48 -14.349 -3.983 0.093 398 H LYS 49 H LYS 49 -10.756 -10.061 1.198 399 HA LYS 49 HA LYS 49 -10.905 -10.372 4.035 400 HB2 LYS 49 HB2 LYS 49 -10.868 -12.375 1.733 401 HB3 LYS 49 HB3 LYS 49 -11.160 -12.816 3.383 402 HG2 LYS 49 HG2 LYS 49 -13.264 -11.501 3.375 403 HG3 LYS 49 HG3 LYS 49 -12.898 -10.940 1.740 404 HD2 LYS 49 HD2 LYS 49 -12.853 -13.399 1.023 405 HD3 LYS 49 HD3 LYS 49 -13.529 -13.798 2.611 406 HE2 LYS 49 HE2 LYS 49 -15.509 -12.402 2.141 407 HE3 LYS 49 HE3 LYS 49 -14.766 -11.840 0.638 408 HZ1 LYS 49 HZ1 LYS 49 -15.714 -14.606 1.147 409 HZ2 LYS 49 HZ2 LYS 49 -14.837 -14.150 -0.153 410 HZ3 LYS 49 HZ3 LYS 49 -16.309 -13.541 0.066 411 H SER 50 H SER 50 -8.471 -11.381 1.573 412 HA SER 50 HA SER 50 -6.705 -12.676 3.324 413 HB2 SER 50 HB2 SER 50 -6.004 -11.244 0.734 414 HB3 SER 50 HB3 SER 50 -5.134 -12.575 1.501 415 HG SER 50 HG SER 50 -6.801 -12.950 -0.321 416 H ILE 51 H ILE 51 -6.741 -9.216 2.220 417 HA ILE 51 HA ILE 51 -4.314 -8.355 3.233 418 HB ILE 51 HB ILE 51 -6.925 -6.802 3.199 419 HG12 ILE 51 HG12 ILE 51 -4.563 -6.994 1.258 420 HG13 ILE 51 HG13 ILE 51 -6.183 -7.585 0.979 421 HG21 ILE 51 HG21 ILE 51 -4.055 -5.791 3.442 422 HG22 ILE 51 HG22 ILE 51 -5.500 -4.772 3.319 423 HG23 ILE 51 HG23 ILE 51 -5.255 -5.739 4.749 424 HD11 ILE 51 HD11 ILE 51 -5.279 -4.708 1.076 425 HD12 ILE 51 HD12 ILE 51 -6.042 -5.608 -0.235 426 HD13 ILE 51 HD13 ILE 51 -7.002 -5.169 1.190 427 H VAL 52 H VAL 52 -7.358 -8.693 5.148 428 HA VAL 52 HA VAL 52 -6.286 -7.496 7.508 429 HB VAL 52 HB VAL 52 -8.542 -9.496 7.091 430 HG11 VAL 52 HG11 VAL 52 -7.971 -9.387 9.509 431 HG12 VAL 52 HG12 VAL 52 -8.059 -7.613 9.449 432 HG13 VAL 52 HG13 VAL 52 -9.518 -8.600 9.187 433 HG21 VAL 52 HG21 VAL 52 -9.953 -7.488 7.047 434 HG22 VAL 52 HG22 VAL 52 -8.516 -6.456 7.231 435 HG23 VAL 52 HG23 VAL 52 -8.782 -7.425 5.759 436 H LYS 53 H LYS 53 -6.013 -10.773 6.202 437 HA LYS 53 HA LYS 53 -4.764 -11.688 8.716 438 HB2 LYS 53 HB2 LYS 53 -6.102 -13.174 6.425 439 HB3 LYS 53 HB3 LYS 53 -5.061 -13.972 7.601 440 HG2 LYS 53 HG2 LYS 53 -6.954 -14.363 8.694 441 HG3 LYS 53 HG3 LYS 53 -6.673 -12.759 9.361 442 HD2 LYS 53 HD2 LYS 53 -8.233 -11.839 7.610 443 HD3 LYS 53 HD3 LYS 53 -8.564 -13.493 7.082 444 HE2 LYS 53 HE2 LYS 53 -9.044 -12.367 9.887 445 HE3 LYS 53 HE3 LYS 53 -10.295 -12.600 8.665 446 HZ1 LYS 53 HZ1 LYS 53 -8.718 -14.781 9.926 447 HZ2 LYS 53 HZ2 LYS 53 -9.854 -15.006 8.793 448 HZ3 LYS 53 HZ3 LYS 53 -10.280 -14.406 10.250 449 H GLU 54 H GLU 54 -3.685 -10.013 6.180 450 HA GLU 54 HA GLU 54 -1.418 -11.696 5.370 451 HB2 GLU 54 HB2 GLU 54 -2.860 -9.416 4.330 452 HB3 GLU 54 HB3 GLU 54 -1.205 -8.937 4.548 453 HG2 GLU 54 HG2 GLU 54 -2.090 -11.455 3.085 454 HG3 GLU 54 HG3 GLU 54 -1.909 -9.887 2.309 455 H ASN 55 H ASN 55 0.576 -9.853 5.475 456 HA ASN 55 HA ASN 55 0.699 -8.771 8.267 457 HB2 ASN 55 HB2 ASN 55 1.827 -10.986 8.069 458 HB3 ASN 55 HB3 ASN 55 2.919 -10.306 6.870 459 HD21 ASN 55 HD21 ASN 55 4.276 -11.327 8.759 460 HD22 ASN 55 HD22 ASN 55 4.712 -10.291 10.081 461 H VAL 56 H VAL 56 -0.159 -7.143 6.358 462 HA VAL 56 HA VAL 56 2.098 -5.876 4.933 463 HB VAL 56 HB VAL 56 -0.570 -4.544 5.287 464 HG11 VAL 56 HG11 VAL 56 -0.135 -3.662 3.084 465 HG12 VAL 56 HG12 VAL 56 1.285 -3.379 4.108 466 HG13 VAL 56 HG13 VAL 56 1.307 -4.681 2.899 467 HG21 VAL 56 HG21 VAL 56 0.039 -6.728 3.221 468 HG22 VAL 56 HG22 VAL 56 -1.250 -6.764 4.449 469 HG23 VAL 56 HG23 VAL 56 -1.333 -5.599 3.132 470 H ASN 57 H ASN 57 3.019 -3.833 5.531 471 HA ASN 57 HA ASN 57 2.756 -3.080 8.407 472 HB2 ASN 57 HB2 ASN 57 4.972 -3.701 7.166 473 HB3 ASN 57 HB3 ASN 57 4.840 -2.060 6.527 474 HD21 ASN 57 HD21 ASN 57 5.159 -0.323 8.000 475 HD22 ASN 57 HD22 ASN 57 6.172 -0.682 9.376 476 H ALA 58 H ALA 58 2.187 -1.875 5.085 477 HA ALA 58 HA ALA 58 0.589 0.227 6.189 478 HB1 ALA 58 HB1 ALA 58 2.717 1.406 6.352 479 HB2 ALA 58 HB2 ALA 58 3.144 0.974 4.685 480 HB3 ALA 58 HB3 ALA 58 1.807 2.077 4.993 481 H ILE 59 H ILE 59 -0.640 1.388 4.504 482 HA ILE 59 HA ILE 59 -0.785 -0.011 1.861 483 HB ILE 59 HB ILE 59 -2.801 1.635 3.459 484 HG12 ILE 59 HG12 ILE 59 -3.128 -1.232 2.518 485 HG13 ILE 59 HG13 ILE 59 -2.354 -0.867 4.042 486 HG21 ILE 59 HG21 ILE 59 -3.082 2.158 1.072 487 HG22 ILE 59 HG22 ILE 59 -3.113 0.424 0.671 488 HG23 ILE 59 HG23 ILE 59 -4.419 1.166 1.614 489 HD11 ILE 59 HD11 ILE 59 -5.185 0.023 3.330 490 HD12 ILE 59 HD12 ILE 59 -4.753 -1.362 4.358 491 HD13 ILE 59 HD13 ILE 59 -4.351 0.284 4.875 492 H ILE 60 H ILE 60 0.094 1.320 0.162 493 HA ILE 60 HA ILE 60 0.020 4.274 0.496 494 HB ILE 60 HB ILE 60 1.562 2.574 -1.498 495 HG12 ILE 60 HG12 ILE 60 2.526 4.334 0.778 496 HG13 ILE 60 HG13 ILE 60 2.479 2.594 0.825 497 HG21 ILE 60 HG21 ILE 60 0.813 4.673 -2.530 498 HG22 ILE 60 HG22 ILE 60 1.435 5.608 -1.145 499 HG23 ILE 60 HG23 ILE 60 2.534 4.763 -2.250 500 HD11 ILE 60 HD11 ILE 60 4.275 4.263 -0.980 501 HD12 ILE 60 HD12 ILE 60 4.740 3.208 0.360 502 HD13 ILE 60 HD13 ILE 60 4.075 2.509 -1.128 503 H CYS 61 H CYS 61 -1.856 5.070 -0.362 504 HA CYS 61 HA CYS 61 -2.497 4.300 -3.087 505 HB2 CYS 61 HB2 CYS 61 -4.659 4.178 -0.961 506 HB3 CYS 61 HB3 CYS 61 -4.954 4.150 -2.684 507 HG CYS 61 HG CYS 61 -2.842 2.063 -1.326 508 H LYS 62 H LYS 62 -3.957 5.964 -4.049 509 HA LYS 62 HA LYS 62 -3.270 8.719 -3.315 510 HB2 LYS 62 HB2 LYS 62 -5.336 7.484 -5.176 511 HB3 LYS 62 HB3 LYS 62 -5.085 9.215 -5.003 512 HG2 LYS 62 HG2 LYS 62 -2.628 8.720 -5.717 513 HG3 LYS 62 HG3 LYS 62 -3.265 7.140 -6.212 514 HD2 LYS 62 HD2 LYS 62 -5.126 8.609 -7.421 515 HD3 LYS 62 HD3 LYS 62 -3.947 9.910 -7.223 516 HE2 LYS 62 HE2 LYS 62 -2.243 8.371 -8.345 517 HE3 LYS 62 HE3 LYS 62 -3.584 7.287 -8.731 518 HZ1 LYS 62 HZ1 LYS 62 -2.902 8.990 -10.425 519 HZ2 LYS 62 HZ2 LYS 62 -3.610 10.123 -9.497 520 HZ3 LYS 62 HZ3 LYS 62 -4.529 8.887 -10.114 521 H ASN 63 H ASN 63 -6.031 6.521 -2.673 522 HA ASN 63 HA ASN 63 -7.242 8.475 -0.874 523 HB2 ASN 63 HB2 ASN 63 -8.286 7.893 -3.638 524 HB3 ASN 63 HB3 ASN 63 -9.454 7.896 -2.355 525 HD21 ASN 63 HD21 ASN 63 -7.605 9.909 -4.392 526 HD22 ASN 63 HD22 ASN 63 -8.075 11.429 -3.683 527 H ILE 64 H ILE 64 -9.184 7.541 0.101 528 HA ILE 64 HA ILE 64 -9.488 4.688 0.122 529 HB ILE 64 HB ILE 64 -7.456 4.913 1.416 530 HG12 ILE 64 HG12 ILE 64 -9.745 4.409 3.336 531 HG13 ILE 64 HG13 ILE 64 -9.166 3.257 2.125 532 HG21 ILE 64 HG21 ILE 64 -7.756 7.347 2.086 533 HG22 ILE 64 HG22 ILE 64 -8.851 6.786 3.357 534 HG23 ILE 64 HG23 ILE 64 -7.129 6.287 3.320 535 HD11 ILE 64 HD11 ILE 64 -7.563 4.384 4.458 536 HD12 ILE 64 HD12 ILE 64 -8.185 2.728 4.282 537 HD13 ILE 64 HD13 ILE 64 -6.911 3.308 3.197 538 H SER 65 H SER 65 -11.479 4.143 1.006 539 HA SER 65 HA SER 65 -13.471 6.191 1.230 540 HB2 SER 65 HB2 SER 65 -13.732 3.689 0.566 541 HB3 SER 65 HB3 SER 65 -13.764 3.370 2.316 542 HG SER 65 HG SER 65 -15.839 3.706 1.269 543 H GLU 66 H GLU 66 -14.690 6.710 3.129 544 HA GLU 66 HA GLU 66 -13.107 7.394 5.379 545 HB2 GLU 66 HB2 GLU 66 -15.181 8.592 4.725 546 HB3 GLU 66 HB3 GLU 66 -16.136 7.160 5.107 547 HG2 GLU 66 HG2 GLU 66 -15.152 7.373 7.530 548 HG3 GLU 66 HG3 GLU 66 -14.604 8.967 7.009 549 H GLU 67 H GLU 67 -15.605 4.899 5.017 550 HA GLU 67 HA GLU 67 -15.389 3.741 7.554 551 HB2 GLU 67 HB2 GLU 67 -16.927 3.325 5.281 552 HB3 GLU 67 HB3 GLU 67 -15.979 1.857 5.294 553 HG2 GLU 67 HG2 GLU 67 -17.557 2.885 7.702 554 HG3 GLU 67 HG3 GLU 67 -18.217 1.782 6.505 555 H ASN 68 H ASN 68 -13.658 3.002 4.543 556 HA ASN 68 HA ASN 68 -12.231 0.730 5.552 557 HB2 ASN 68 HB2 ASN 68 -11.708 2.506 3.158 558 HB3 ASN 68 HB3 ASN 68 -10.669 1.148 3.594 559 HD21 ASN 68 HD21 ASN 68 -12.436 1.525 1.189 560 HD22 ASN 68 HD22 ASN 68 -13.417 0.106 1.132 561 H TYR 69 H TYR 69 -11.424 4.233 5.521 562 HA TYR 69 HA TYR 69 -8.686 3.913 6.342 563 HB2 TYR 69 HB2 TYR 69 -9.747 6.024 5.525 564 HB3 TYR 69 HB3 TYR 69 -10.661 6.122 7.032 565 HD1 TYR 69 HD2 TYR 69 -9.370 6.352 9.258 566 HD2 TYR 69 HD1 TYR 69 -7.538 6.760 5.392 567 HE1 TYR 69 HE2 TYR 69 -7.420 7.387 10.319 568 HE2 TYR 69 HE1 TYR 69 -5.603 7.895 6.415 569 HH TYR 69 HH TYR 69 -4.838 8.897 8.320 570 H LYS 70 H LYS 70 -11.591 4.615 8.304 571 HA LYS 70 HA LYS 70 -10.226 4.337 10.801 572 HB2 LYS 70 HB2 LYS 70 -13.211 4.164 10.194 573 HB3 LYS 70 HB3 LYS 70 -12.501 4.491 11.777 574 HG2 LYS 70 HG2 LYS 70 -11.568 6.632 10.950 575 HG3 LYS 70 HG3 LYS 70 -12.157 6.292 9.324 576 HD2 LYS 70 HD2 LYS 70 -14.507 6.182 10.333 577 HD3 LYS 70 HD3 LYS 70 -13.825 6.947 11.770 578 HE2 LYS 70 HE2 LYS 70 -13.541 8.058 8.942 579 HE3 LYS 70 HE3 LYS 70 -14.926 8.443 9.951 580 HZ1 LYS 70 HZ1 LYS 70 -12.387 9.018 11.205 581 HZ2 LYS 70 HZ2 LYS 70 -13.790 9.860 11.149 582 HZ3 LYS 70 HZ3 LYS 70 -12.814 9.977 9.885 583 H LYS 71 H LYS 71 -11.695 2.015 8.679 584 HA LYS 71 HA LYS 71 -11.798 -0.221 10.472 585 HB2 LYS 71 HB2 LYS 71 -13.080 -0.110 8.407 586 HB3 LYS 71 HB3 LYS 71 -11.605 -0.045 7.451 587 HG2 LYS 71 HG2 LYS 71 -12.624 -2.202 7.382 588 HG3 LYS 71 HG3 LYS 71 -11.023 -2.328 8.123 589 HD2 LYS 71 HD2 LYS 71 -11.930 -2.652 10.294 590 HD3 LYS 71 HD3 LYS 71 -13.532 -2.010 9.826 591 HE2 LYS 71 HE2 LYS 71 -13.988 -3.888 8.412 592 HE3 LYS 71 HE3 LYS 71 -12.330 -4.487 8.554 593 HZ1 LYS 71 HZ1 LYS 71 -13.932 -5.655 9.941 594 HZ2 LYS 71 HZ2 LYS 71 -14.247 -4.294 10.771 595 HZ3 LYS 71 HZ3 LYS 71 -12.719 -4.966 10.836 596 H PHE 72 H PHE 72 -9.494 0.535 7.793 597 HA PHE 72 HA PHE 72 -7.847 -1.666 8.547 598 HB2 PHE 72 HB2 PHE 72 -7.721 0.452 6.396 599 HB3 PHE 72 HB3 PHE 72 -6.338 -0.576 6.700 600 HD1 PHE 72 HD1 PHE 72 -6.317 -2.945 6.185 601 HD2 PHE 72 HD2 PHE 72 -9.909 -0.645 5.540 602 HE1 PHE 72 HE1 PHE 72 -7.328 -4.850 5.070 603 HE2 PHE 72 HE2 PHE 72 -10.900 -2.547 4.337 604 HZ PHE 72 HZ PHE 72 -9.633 -4.677 4.099 605 H SER 73 H SER 73 -7.751 1.697 9.598 606 HA SER 73 HA SER 73 -5.022 2.075 9.954 607 HB2 SER 73 HB2 SER 73 -5.792 3.794 11.606 608 HB3 SER 73 HB3 SER 73 -6.686 3.825 10.078 609 HG SER 73 HG SER 73 -8.065 3.937 11.924 610 H LYS 74 H LYS 74 -6.793 -0.312 11.573 611 HA LYS 74 HA LYS 74 -5.307 -0.348 14.099 612 HB2 LYS 74 HB2 LYS 74 -7.077 -2.364 12.648 613 HB3 LYS 74 HB3 LYS 74 -6.296 -2.689 14.191 614 HG2 LYS 74 HG2 LYS 74 -8.120 -0.269 13.802 615 HG3 LYS 74 HG3 LYS 74 -8.777 -1.863 14.156 616 HD2 LYS 74 HD2 LYS 74 -6.700 -0.506 15.934 617 HD3 LYS 74 HD3 LYS 74 -8.447 -0.371 16.162 618 HE2 LYS 74 HE2 LYS 74 -8.527 -2.936 16.112 619 HE3 LYS 74 HE3 LYS 74 -6.762 -2.900 16.254 620 HZ1 LYS 74 HZ1 LYS 74 -7.164 -1.538 18.306 621 HZ2 LYS 74 HZ2 LYS 74 -7.649 -3.097 18.415 622 HZ3 LYS 74 HZ3 LYS 74 -8.772 -1.928 18.158 623 H LYS 75 H LYS 75 -3.106 -0.452 13.673 624 HA LYS 75 HA LYS 75 -1.186 -1.507 13.621 625 HB2 LYS 75 HB2 LYS 75 -2.672 -3.590 14.286 626 HB3 LYS 75 HB3 LYS 75 -2.278 -4.149 12.674 627 HG2 LYS 75 HG2 LYS 75 0.214 -3.246 13.661 628 HG3 LYS 75 HG3 LYS 75 -0.545 -3.947 15.081 629 HD2 LYS 75 HD2 LYS 75 -0.749 -6.096 13.989 630 HD3 LYS 75 HD3 LYS 75 -0.371 -5.397 12.418 631 HE2 LYS 75 HE2 LYS 75 1.908 -4.749 13.291 632 HE3 LYS 75 HE3 LYS 75 1.544 -5.673 14.758 633 HZ1 LYS 75 HZ1 LYS 75 1.825 -6.682 12.002 634 HZ2 LYS 75 HZ2 LYS 75 1.155 -7.597 13.219 635 HZ3 LYS 75 HZ3 LYS 75 2.706 -7.103 13.310 636 H ILE 76 H ILE 76 -2.685 -0.523 11.192 637 HA ILE 76 HA ILE 76 -0.579 -1.217 9.256 638 HB ILE 76 HB ILE 76 -3.411 -0.762 8.290 639 HG12 ILE 76 HG12 ILE 76 -2.223 -3.545 8.729 640 HG13 ILE 76 HG13 ILE 76 -3.490 -2.838 9.709 641 HG21 ILE 76 HG21 ILE 76 -2.547 -1.708 6.209 642 HG22 ILE 76 HG22 ILE 76 -1.526 -0.395 6.735 643 HG23 ILE 76 HG23 ILE 76 -0.991 -2.078 6.991 644 HD11 ILE 76 HD11 ILE 76 -4.506 -4.313 8.096 645 HD12 ILE 76 HD12 ILE 76 -4.995 -2.634 7.829 646 HD13 ILE 76 HD13 ILE 76 -3.815 -3.391 6.757 647 H GLU 77 H GLU 77 0.128 0.672 8.228 648 HA GLU 77 HA GLU 77 -1.147 3.190 9.176 649 HB2 GLU 77 HB2 GLU 77 1.740 2.546 8.451 650 HB3 GLU 77 HB3 GLU 77 1.109 4.168 8.855 651 HG2 GLU 77 HG2 GLU 77 0.231 3.266 10.989 652 HG3 GLU 77 HG3 GLU 77 0.966 1.703 10.660 653 H ILE 78 H ILE 78 -1.564 4.802 7.653 654 HA ILE 78 HA ILE 78 -1.873 3.672 4.909 655 HB ILE 78 HB ILE 78 -3.846 5.441 6.416 656 HG12 ILE 78 HG12 ILE 78 -3.795 2.409 6.084 657 HG13 ILE 78 HG13 ILE 78 -3.729 3.304 7.590 658 HG21 ILE 78 HG21 ILE 78 -4.211 3.760 3.891 659 HG22 ILE 78 HG22 ILE 78 -5.347 4.946 4.588 660 HG23 ILE 78 HG23 ILE 78 -3.835 5.490 3.886 661 HD11 ILE 78 HD11 ILE 78 -6.052 4.191 7.121 662 HD12 ILE 78 HD12 ILE 78 -6.125 3.011 5.784 663 HD13 ILE 78 HD13 ILE 78 -5.922 2.442 7.435 664 H TYR 79 H TYR 79 -0.884 4.750 3.396 665 HA TYR 79 HA TYR 79 0.108 7.478 3.939 666 HB2 TYR 79 HB2 TYR 79 1.363 5.001 2.761 667 HB3 TYR 79 HB3 TYR 79 1.980 6.597 2.385 668 HD1 TYR 79 HD1 TYR 79 1.365 4.260 5.263 669 HD2 TYR 79 HD2 TYR 79 3.300 7.857 3.885 670 HE1 TYR 79 HE1 TYR 79 2.846 4.262 7.285 671 HE2 TYR 79 HE2 TYR 79 4.725 7.886 5.853 672 HH TYR 79 HH TYR 79 5.487 6.666 7.605 673 H HIS 80 H HIS 80 0.391 8.854 2.244 674 HA HIS 80 HA HIS 80 -1.699 8.506 0.217 675 HB2 HIS 80 HB2 HIS 80 -1.553 10.475 1.854 676 HB3 HIS 80 HB3 HIS 80 -0.182 11.024 0.960 677 HD1 HIS 80 HD1 HIS 80 -2.132 13.192 0.642 678 HD2 HIS 80 HD2 HIS 80 -2.549 9.590 -1.523 679 HE1 HIS 80 HE1 HIS 80 -3.637 13.674 -1.343 680 H ALA 81 H ALA 81 -1.128 7.893 -1.728 681 HA ALA 81 HA ALA 81 1.548 7.659 -2.678 682 HB1 ALA 81 HB1 ALA 81 -0.356 6.270 -3.525 683 HB2 ALA 81 HB2 ALA 81 -1.042 7.714 -4.297 684 HB3 ALA 81 HB3 ALA 81 0.526 7.078 -4.833 685 H GLU 82 H GLU 82 2.902 9.134 -3.606 686 HA GLU 82 HA GLU 82 1.855 11.776 -4.465 687 HB2 GLU 82 HB2 GLU 82 4.523 10.823 -3.343 688 HB3 GLU 82 HB3 GLU 82 4.336 12.348 -4.217 689 HG2 GLU 82 HG2 GLU 82 2.501 12.993 -2.662 690 HG3 GLU 82 HG3 GLU 82 2.761 11.494 -1.776 691 H GLY 83 H GLY 83 1.470 11.661 -6.631 692 HA2 GLY 83 HA2 GLY 83 2.107 11.478 -8.873 693 HA3 GLY 83 HA3 GLY 83 3.616 10.702 -8.410 694 H ASP 84 H ASP 84 2.549 9.646 -10.435 695 HA ASP 84 HA ASP 84 0.954 7.240 -9.673 696 HB2 ASP 84 HB2 ASP 84 1.147 8.936 -12.175 697 HB3 ASP 84 HB3 ASP 84 0.424 7.324 -12.172 698 H ASP 85 H ASP 85 3.821 7.856 -9.440 699 HA ASP 85 HA ASP 85 4.991 5.874 -11.377 700 HB2 ASP 85 HB2 ASP 85 5.982 8.270 -11.252 701 HB3 ASP 85 HB3 ASP 85 6.523 7.845 -9.699 702 H VAL 86 H VAL 86 4.740 3.971 -10.364 703 HA VAL 86 HA VAL 86 4.672 3.480 -7.563 704 HB VAL 86 HB VAL 86 5.477 1.760 -9.937 705 HG11 VAL 86 HG11 VAL 86 6.661 0.711 -8.198 706 HG12 VAL 86 HG12 VAL 86 5.398 0.961 -6.987 707 HG13 VAL 86 HG13 VAL 86 5.173 -0.201 -8.349 708 HG21 VAL 86 HG21 VAL 86 3.094 2.419 -9.788 709 HG22 VAL 86 HG22 VAL 86 3.322 0.687 -9.534 710 HG23 VAL 86 HG23 VAL 86 3.013 1.739 -8.141 711 H ASP 87 H ASP 87 7.470 3.800 -9.811 712 HA ASP 87 HA ASP 87 9.417 2.806 -7.940 713 HB2 ASP 87 HB2 ASP 87 9.636 4.447 -10.476 714 HB3 ASP 87 HB3 ASP 87 11.033 4.166 -9.445 715 H LYS 88 H LYS 88 8.376 6.163 -8.817 716 HA LYS 88 HA LYS 88 9.928 7.470 -6.912 717 HB2 LYS 88 HB2 LYS 88 8.483 8.494 -8.765 718 HB3 LYS 88 HB3 LYS 88 7.081 8.183 -7.764 719 HG2 LYS 88 HG2 LYS 88 8.018 10.556 -7.760 720 HG3 LYS 88 HG3 LYS 88 7.603 9.827 -6.208 721 HD2 LYS 88 HD2 LYS 88 9.906 9.306 -5.744 722 HD3 LYS 88 HD3 LYS 88 10.437 9.875 -7.325 723 HE2 LYS 88 HE2 LYS 88 9.051 11.708 -5.324 724 HE3 LYS 88 HE3 LYS 88 10.742 11.283 -5.146 725 HZ1 LYS 88 HZ1 LYS 88 10.740 13.204 -6.292 726 HZ2 LYS 88 HZ2 LYS 88 9.521 12.820 -7.305 727 HZ3 LYS 88 HZ3 LYS 88 11.051 12.128 -7.471 728 H ASN 89 H ASN 89 6.807 5.803 -6.463 729 HA ASN 89 HA ASN 89 6.392 6.958 -3.830 730 HB2 ASN 89 HB2 ASN 89 5.042 4.805 -5.477 731 HB3 ASN 89 HB3 ASN 89 4.674 4.983 -3.761 732 HD21 ASN 89 HD21 ASN 89 4.897 6.912 -6.786 733 HD22 ASN 89 HD22 ASN 89 4.034 8.292 -6.123 734 H ILE 90 H ILE 90 7.986 4.094 -5.048 735 HA ILE 90 HA ILE 90 8.213 2.739 -2.489 736 HB ILE 90 HB ILE 90 9.637 2.487 -5.150 737 HG12 ILE 90 HG12 ILE 90 7.729 0.405 -3.994 738 HG13 ILE 90 HG13 ILE 90 7.134 1.759 -4.878 739 HG21 ILE 90 HG21 ILE 90 10.570 0.308 -4.280 740 HG22 ILE 90 HG22 ILE 90 11.207 1.717 -3.478 741 HG23 ILE 90 HG23 ILE 90 9.958 0.736 -2.671 742 HD11 ILE 90 HD11 ILE 90 8.488 1.145 -6.829 743 HD12 ILE 90 HD12 ILE 90 9.214 -0.196 -5.941 744 HD13 ILE 90 HD13 ILE 90 7.486 -0.219 -6.290 745 H SER 91 H SER 91 10.435 4.901 -4.476 746 HA SER 91 HA SER 91 12.530 4.769 -2.575 747 HB2 SER 91 HB2 SER 91 13.334 6.847 -3.786 748 HB3 SER 91 HB3 SER 91 13.085 5.398 -4.763 749 HG SER 91 HG SER 91 11.930 7.845 -4.940 750 H LEU 92 H LEU 92 9.814 7.086 -2.940 751 HA LEU 92 HA LEU 92 10.610 8.851 -0.837 752 HB2 LEU 92 HB2 LEU 92 7.881 8.110 -1.962 753 HB3 LEU 92 HB3 LEU 92 8.103 9.348 -0.733 754 HG LEU 92 HG LEU 92 9.464 9.525 -3.438 755 HD11 LEU 92 HD11 LEU 92 6.826 10.755 -2.524 756 HD12 LEU 92 HD12 LEU 92 6.991 9.457 -3.727 757 HD13 LEU 92 HD13 LEU 92 7.620 11.079 -4.059 758 HD21 LEU 92 HD21 LEU 92 9.674 11.903 -2.895 759 HD22 LEU 92 HD22 LEU 92 10.432 10.934 -1.627 760 HD23 LEU 92 HD23 LEU 92 8.833 11.664 -1.365 761 H PHE 93 H PHE 93 8.623 5.847 -0.789 762 HA PHE 93 HA PHE 93 7.868 6.071 1.954 763 HB2 PHE 93 HB2 PHE 93 6.652 4.672 0.398 764 HB3 PHE 93 HB3 PHE 93 8.077 3.702 0.058 765 HD1 PHE 93 HD1 PHE 93 6.074 4.837 3.056 766 HD2 PHE 93 HD2 PHE 93 8.378 1.695 1.206 767 HE1 PHE 93 HE1 PHE 93 5.554 3.343 4.964 768 HE2 PHE 93 HE2 PHE 93 7.801 0.180 3.072 769 HZ PHE 93 HZ PHE 93 6.336 0.989 4.940 770 H ILE 94 H ILE 94 10.483 4.133 0.421 771 HA ILE 94 HA ILE 94 11.660 3.038 2.692 772 HB ILE 94 HB ILE 94 12.812 4.008 0.043 773 HG12 ILE 94 HG12 ILE 94 12.422 1.142 1.004 774 HG13 ILE 94 HG13 ILE 94 11.127 2.023 0.198 775 HG21 ILE 94 HG21 ILE 94 14.219 2.431 2.233 776 HG22 ILE 94 HG22 ILE 94 14.792 2.510 0.567 777 HG23 ILE 94 HG23 ILE 94 14.720 3.984 1.522 778 HD11 ILE 94 HD11 ILE 94 13.842 1.372 -1.028 779 HD12 ILE 94 HD12 ILE 94 12.276 0.675 -1.440 780 HD13 ILE 94 HD13 ILE 94 12.607 2.392 -1.777 781 H GLU 95 H GLU 95 12.039 6.384 1.377 782 HA GLU 95 HA GLU 95 13.927 7.161 3.452 783 HB2 GLU 95 HB2 GLU 95 12.488 8.490 1.148 784 HB3 GLU 95 HB3 GLU 95 13.321 9.470 2.354 785 HG2 GLU 95 HG2 GLU 95 14.728 7.124 1.023 786 HG3 GLU 95 HG3 GLU 95 14.644 8.695 0.255 787 H GLY 96 H GLY 96 10.480 6.858 3.424 788 HA2 GLY 96 HA2 GLY 96 9.077 7.194 5.221 789 HA3 GLY 96 HA3 GLY 96 10.304 8.163 6.048 790 H GLU 97 H GLU 97 9.966 9.173 2.808 791 HA GLU 97 HA GLU 97 9.205 11.762 3.734 792 HB2 GLU 97 HB2 GLU 97 10.343 10.544 1.341 793 HB3 GLU 97 HB3 GLU 97 9.069 11.667 0.899 794 HG2 GLU 97 HG2 GLU 97 10.700 12.939 2.957 795 HG3 GLU 97 HG3 GLU 97 11.759 12.225 1.752 796 H LEU 98 H LEU 98 7.325 9.138 2.415 797 HA LEU 98 HA LEU 98 5.185 10.788 1.366 798 HB2 LEU 98 HB2 LEU 98 5.148 7.906 2.357 799 HB3 LEU 98 HB3 LEU 98 3.765 8.711 1.610 800 HG LEU 98 HG LEU 98 6.415 8.087 0.256 801 HD11 LEU 98 HD11 LEU 98 5.086 6.530 -1.057 802 HD12 LEU 98 HD12 LEU 98 3.594 7.032 -0.229 803 HD13 LEU 98 HD13 LEU 98 4.869 6.174 0.663 804 HD21 LEU 98 HD21 LEU 98 3.926 9.468 -0.875 805 HD22 LEU 98 HD22 LEU 98 5.276 8.853 -1.837 806 HD23 LEU 98 HD23 LEU 98 5.537 10.181 -0.699 807 H SER 99 H SER 99 3.190 11.394 2.249 808 HA SER 99 HA SER 99 3.130 11.832 5.119 809 HB2 SER 99 HB2 SER 99 2.348 13.462 3.312 810 HB3 SER 99 HB3 SER 99 1.004 12.323 3.028 811 HG SER 99 HG SER 99 0.319 13.862 4.360 812 H LYS 100 H LYS 100 1.447 11.081 6.362 813 HA LYS 100 HA LYS 100 0.159 8.518 5.619 814 HB2 LYS 100 HB2 LYS 100 0.387 10.040 8.212 815 HB3 LYS 100 HB3 LYS 100 -0.758 8.691 8.000 816 HG2 LYS 100 HG2 LYS 100 1.072 7.178 7.366 817 HG3 LYS 100 HG3 LYS 100 2.233 8.497 7.438 818 HD2 LYS 100 HD2 LYS 100 2.512 7.104 9.341 819 HD3 LYS 100 HD3 LYS 100 1.966 8.699 9.846 820 HE2 LYS 100 HE2 LYS 100 -0.292 7.865 10.226 821 HE3 LYS 100 HE3 LYS 100 0.186 6.247 9.648 822 HZ1 LYS 100 HZ1 LYS 100 0.278 6.444 12.103 823 HZ2 LYS 100 HZ2 LYS 100 1.437 7.598 11.956 824 HZ3 LYS 100 HZ3 LYS 100 1.722 6.069 11.465 825 H ILE 101 H ILE 101 -2.019 8.504 5.118 826 HA ILE 101 HA ILE 101 -3.247 10.974 4.221 827 HB ILE 101 HB ILE 101 -4.342 8.145 4.551 828 HG12 ILE 101 HG12 ILE 101 -3.759 9.849 2.084 829 HG13 ILE 101 HG13 ILE 101 -2.677 8.626 2.751 830 HG21 ILE 101 HG21 ILE 101 -6.258 9.625 4.883 831 HG22 ILE 101 HG22 ILE 101 -5.793 10.629 3.498 832 HG23 ILE 101 HG23 ILE 101 -6.369 8.976 3.274 833 HD11 ILE 101 HD11 ILE 101 -4.244 6.845 2.203 834 HD12 ILE 101 HD12 ILE 101 -5.414 8.021 1.579 835 HD13 ILE 101 HD13 ILE 101 -3.859 7.827 0.782 836 H SER 102 H SER 102 -4.472 12.399 5.380 837 HA SER 102 HA SER 102 -4.589 12.222 8.227 838 HB2 SER 102 HB2 SER 102 -6.155 13.939 6.230 839 HB3 SER 102 HB3 SER 102 -5.959 14.291 7.957 840 HG SER 102 HG SER 102 -3.855 14.733 7.662 841 H ASN 103 H ASN 103 -6.504 11.960 9.563 842 HA ASN 103 HA ASN 103 -8.131 9.846 8.653 843 HB2 ASN 103 HB2 ASN 103 -9.480 10.146 10.615 844 HB3 ASN 103 HB3 ASN 103 -7.790 10.355 11.066 845 HD21 ASN 103 HD21 ASN 103 -7.042 12.648 11.457 846 HD22 ASN 103 HD22 ASN 103 -8.255 13.857 11.848 847 HA PRO 104 HA PRO 104 -10.977 12.089 6.183 848 HB2 PRO 104 HB2 PRO 104 -12.889 10.235 5.674 849 HB3 PRO 104 HB3 PRO 104 -11.204 10.045 5.076 850 HG2 PRO 104 HG2 PRO 104 -12.423 8.796 7.528 851 HG3 PRO 104 HG3 PRO 104 -11.369 8.046 6.273 852 HD2 PRO 104 HD2 PRO 104 -10.413 8.950 8.675 853 HD3 PRO 104 HD3 PRO 104 -9.462 8.956 7.146 Start of MODEL 14 1 H1 GLY -2 H GLY -2 21.893 4.411 7.615 2 HA2 GLY -2 HA2 GLY -2 20.675 2.454 8.390 3 HA3 GLY -2 HA3 GLY -2 19.538 3.793 8.078 4 H HIS -1 H HIS -1 19.197 0.756 7.894 5 HA HIS -1 HA HIS -1 18.105 0.715 5.161 6 HB2 HIS -1 HB2 HIS -1 19.482 -1.653 6.435 7 HB3 HIS -1 HB3 HIS -1 18.915 -1.541 4.790 8 HD1 HIS -1 HD1 HIS -1 22.028 -1.689 6.468 9 HD2 HIS -1 HD2 HIS -1 20.370 0.954 3.639 10 HE1 HIS -1 HE1 HIS -1 23.981 -0.433 5.439 11 H MET 1 H MET 1 16.664 -1.581 5.204 12 HA MET 1 HA MET 1 15.113 -1.634 7.721 13 HB2 MET 1 HB2 MET 1 14.059 0.141 6.293 14 HB3 MET 1 HB3 MET 1 13.956 -1.058 4.978 15 HG2 MET 1 HG2 MET 1 11.804 -0.767 6.206 16 HG3 MET 1 HG3 MET 1 12.437 -2.406 6.216 17 HE1 MET 1 HE1 MET 1 10.771 -3.154 7.785 18 HE2 MET 1 HE2 MET 1 10.909 -2.996 9.531 19 HE3 MET 1 HE3 MET 1 10.005 -1.783 8.589 20 H ILE 2 H ILE 2 13.881 -3.644 7.909 21 HA ILE 2 HA ILE 2 14.564 -5.757 5.917 22 HB ILE 2 HB ILE 2 14.486 -5.959 8.956 23 HG12 ILE 2 HG12 ILE 2 16.458 -4.604 8.415 24 HG13 ILE 2 HG13 ILE 2 16.878 -6.163 9.066 25 HG21 ILE 2 HG21 ILE 2 15.415 -7.926 6.840 26 HG22 ILE 2 HG22 ILE 2 15.572 -8.138 8.614 27 HG23 ILE 2 HG23 ILE 2 13.997 -8.035 7.869 28 HD11 ILE 2 HD11 ILE 2 17.442 -6.996 6.769 29 HD12 ILE 2 HD12 ILE 2 17.066 -5.382 6.130 30 HD13 ILE 2 HD13 ILE 2 18.405 -5.619 7.269 31 H ASN 3 H ASN 3 12.944 -7.508 5.888 32 HA ASN 3 HA ASN 3 10.873 -8.372 5.810 33 HB2 ASN 3 HB2 ASN 3 10.651 -7.349 8.663 34 HB3 ASN 3 HB3 ASN 3 9.735 -8.663 7.947 35 HD21 ASN 3 HD21 ASN 3 12.120 -8.180 10.122 36 HD22 ASN 3 HD22 ASN 3 13.050 -9.627 9.869 37 H MET 4 H MET 4 10.849 -5.416 4.890 38 HA MET 4 HA MET 4 8.520 -4.216 6.192 39 HB2 MET 4 HB2 MET 4 10.605 -3.036 5.626 40 HB3 MET 4 HB3 MET 4 10.333 -3.401 3.944 41 HG2 MET 4 HG2 MET 4 9.728 -1.181 4.137 42 HG3 MET 4 HG3 MET 4 8.204 -2.032 4.124 43 HE1 MET 4 HE1 MET 4 8.671 1.378 6.282 44 HE2 MET 4 HE2 MET 4 10.313 0.755 6.473 45 HE3 MET 4 HE3 MET 4 9.559 0.788 4.875 46 H LYS 5 H LYS 5 6.555 -4.022 5.230 47 HA LYS 5 HA LYS 5 6.097 -5.328 2.585 48 HB2 LYS 5 HB2 LYS 5 5.051 -6.200 5.283 49 HB3 LYS 5 HB3 LYS 5 4.111 -6.484 3.812 50 HG2 LYS 5 HG2 LYS 5 5.970 -7.709 2.799 51 HG3 LYS 5 HG3 LYS 5 6.964 -7.381 4.238 52 HD2 LYS 5 HD2 LYS 5 6.316 -9.349 5.042 53 HD3 LYS 5 HD3 LYS 5 4.771 -8.585 5.372 54 HE2 LYS 5 HE2 LYS 5 4.390 -10.680 4.272 55 HE3 LYS 5 HE3 LYS 5 3.918 -9.401 3.144 56 HZ1 LYS 5 HZ1 LYS 5 5.341 -11.340 2.317 57 HZ2 LYS 5 HZ2 LYS 5 6.599 -10.640 3.065 58 HZ3 LYS 5 HZ3 LYS 5 5.814 -9.847 1.842 59 H VAL 6 H VAL 6 5.024 -3.856 1.425 60 HA VAL 6 HA VAL 6 2.926 -2.261 2.778 61 HB VAL 6 HB VAL 6 5.062 -1.385 0.816 62 HG11 VAL 6 HG11 VAL 6 2.511 0.163 1.440 63 HG12 VAL 6 HG12 VAL 6 3.917 0.711 0.491 64 HG13 VAL 6 HG13 VAL 6 2.901 -0.566 -0.138 65 HG21 VAL 6 HG21 VAL 6 4.093 -0.493 3.530 66 HG22 VAL 6 HG22 VAL 6 5.710 -1.064 3.013 67 HG23 VAL 6 HG23 VAL 6 5.087 0.506 2.471 68 H ALA 7 H ALA 7 1.046 -2.000 1.710 69 HA ALA 7 HA ALA 7 0.600 -3.569 -0.793 70 HB1 ALA 7 HB1 ALA 7 -1.814 -3.258 -0.203 71 HB2 ALA 7 HB2 ALA 7 -0.911 -4.184 1.017 72 HB3 ALA 7 HB3 ALA 7 -1.316 -2.482 1.306 73 H ILE 8 H ILE 8 1.191 -2.194 -2.449 74 HA ILE 8 HA ILE 8 0.390 0.665 -2.399 75 HB ILE 8 HB ILE 8 1.916 -0.980 -4.472 76 HG12 ILE 8 HG12 ILE 8 2.747 1.016 -2.338 77 HG13 ILE 8 HG13 ILE 8 3.193 -0.678 -2.429 78 HG21 ILE 8 HG21 ILE 8 2.360 1.162 -5.597 79 HG22 ILE 8 HG22 ILE 8 0.628 0.921 -5.493 80 HG23 ILE 8 HG23 ILE 8 1.423 2.012 -4.346 81 HD11 ILE 8 HD11 ILE 8 4.160 1.547 -4.273 82 HD12 ILE 8 HD12 ILE 8 5.085 0.680 -3.051 83 HD13 ILE 8 HD13 ILE 8 4.520 -0.188 -4.499 84 H SER 9 H SER 9 -1.482 1.341 -3.345 85 HA SER 9 HA SER 9 -3.302 -0.681 -4.470 86 HB2 SER 9 HB2 SER 9 -4.830 1.283 -4.714 87 HB3 SER 9 HB3 SER 9 -4.254 0.991 -3.073 88 HG SER 9 HG SER 9 -2.559 2.671 -4.365 89 H MET 10 H MET 10 -3.390 -1.299 -6.631 90 HA MET 10 HA MET 10 -2.287 0.582 -8.672 91 HB2 MET 10 HB2 MET 10 -2.164 -2.452 -8.519 92 HB3 MET 10 HB3 MET 10 -1.648 -1.470 -9.888 93 HG2 MET 10 HG2 MET 10 -0.216 -0.309 -7.828 94 HG3 MET 10 HG3 MET 10 -0.352 -1.961 -7.255 95 HE1 MET 10 HE1 MET 10 1.706 -0.979 -11.333 96 HE2 MET 10 HE2 MET 10 0.002 -1.451 -11.301 97 HE3 MET 10 HE3 MET 10 0.508 0.079 -10.549 98 H ASP 11 H ASP 11 -3.262 0.522 -10.688 99 HA ASP 11 HA ASP 11 -6.134 -0.377 -10.841 100 HB2 ASP 11 HB2 ASP 11 -5.292 2.084 -11.108 101 HB3 ASP 11 HB3 ASP 11 -4.513 1.609 -12.562 102 H VAL 12 H VAL 12 -3.352 0.075 -13.039 103 HA VAL 12 HA VAL 12 -3.648 -2.677 -14.052 104 HB VAL 12 HB VAL 12 -3.655 -0.230 -15.889 105 HG11 VAL 12 HG11 VAL 12 -3.683 -1.784 -17.756 106 HG12 VAL 12 HG12 VAL 12 -2.256 -2.130 -16.770 107 HG13 VAL 12 HG13 VAL 12 -3.690 -3.179 -16.663 108 HG21 VAL 12 HG21 VAL 12 -5.787 -2.368 -15.518 109 HG22 VAL 12 HG22 VAL 12 -5.924 -0.668 -15.047 110 HG23 VAL 12 HG23 VAL 12 -5.801 -1.085 -16.748 111 H ASP 13 H ASP 13 -1.924 0.208 -15.164 112 HA ASP 13 HA ASP 13 0.623 -1.013 -14.293 113 HB2 ASP 13 HB2 ASP 13 -0.414 -0.531 -16.856 114 HB3 ASP 13 HB3 ASP 13 0.675 0.816 -16.626 115 H LYS 14 H LYS 14 -1.185 1.160 -12.979 116 HA LYS 14 HA LYS 14 0.995 2.896 -12.201 117 HB2 LYS 14 HB2 LYS 14 -0.287 4.982 -12.557 118 HB3 LYS 14 HB3 LYS 14 0.218 4.213 -14.047 119 HG2 LYS 14 HG2 LYS 14 -2.096 3.281 -14.359 120 HG3 LYS 14 HG3 LYS 14 -2.604 4.107 -12.884 121 HD2 LYS 14 HD2 LYS 14 -1.585 5.449 -15.360 122 HD3 LYS 14 HD3 LYS 14 -3.287 5.310 -14.890 123 HE2 LYS 14 HE2 LYS 14 -2.780 6.560 -12.785 124 HE3 LYS 14 HE3 LYS 14 -1.111 6.739 -13.339 125 HZ1 LYS 14 HZ1 LYS 14 -1.974 7.997 -15.251 126 HZ2 LYS 14 HZ2 LYS 14 -2.300 8.721 -13.810 127 HZ3 LYS 14 HZ3 LYS 14 -3.486 7.945 -14.600 128 H ILE 15 H ILE 15 0.163 4.353 -10.424 129 HA ILE 15 HA ILE 15 -1.308 2.831 -8.448 130 HB ILE 15 HB ILE 15 -0.384 5.724 -8.606 131 HG12 ILE 15 HG12 ILE 15 0.533 3.417 -6.825 132 HG13 ILE 15 HG13 ILE 15 1.260 3.795 -8.392 133 HG21 ILE 15 HG21 ILE 15 -2.304 5.835 -7.183 134 HG22 ILE 15 HG22 ILE 15 -1.842 4.357 -6.313 135 HG23 ILE 15 HG23 ILE 15 -0.919 5.858 -6.129 136 HD11 ILE 15 HD11 ILE 15 1.233 5.687 -6.053 137 HD12 ILE 15 HD12 ILE 15 2.591 4.724 -6.647 138 HD13 ILE 15 HD13 ILE 15 1.911 6.011 -7.661 139 H SER 16 H SER 16 -3.446 2.840 -8.017 140 HA SER 16 HA SER 16 -5.310 3.874 -9.969 141 HB2 SER 16 HB2 SER 16 -6.938 2.833 -8.279 142 HB3 SER 16 HB3 SER 16 -5.710 1.748 -8.916 143 HG SER 16 HG SER 16 -6.141 2.571 -6.371 144 H ASN 17 H ASN 17 -7.043 5.321 -9.413 145 HA ASN 17 HA ASN 17 -6.406 7.776 -8.134 146 HB2 ASN 17 HB2 ASN 17 -8.262 7.853 -9.536 147 HB3 ASN 17 HB3 ASN 17 -8.951 6.349 -8.884 148 HD21 ASN 17 HD21 ASN 17 -8.523 9.887 -8.174 149 HD22 ASN 17 HD22 ASN 17 -9.651 9.859 -6.854 150 H SER 18 H SER 18 -7.790 4.758 -6.720 151 HA SER 18 HA SER 18 -7.073 5.733 -4.081 152 HB2 SER 18 HB2 SER 18 -9.436 5.432 -3.273 153 HB3 SER 18 HB3 SER 18 -9.209 6.840 -4.327 154 HG SER 18 HG SER 18 -10.337 5.940 -5.849 155 H PHE 19 H PHE 19 -7.902 4.114 -2.434 156 HA PHE 19 HA PHE 19 -7.302 1.350 -3.027 157 HB2 PHE 19 HB2 PHE 19 -6.878 2.666 -0.891 158 HB3 PHE 19 HB3 PHE 19 -8.607 2.676 -0.626 159 HD1 PHE 19 HD1 PHE 19 -9.816 0.594 -0.024 160 HD2 PHE 19 HD2 PHE 19 -5.524 0.718 -0.320 161 HE1 PHE 19 HE1 PHE 19 -9.680 -1.477 1.311 162 HE2 PHE 19 HE2 PHE 19 -5.387 -1.373 1.034 163 HZ PHE 19 HZ PHE 19 -7.458 -2.468 1.858 164 H GLU 20 H GLU 20 -10.258 3.282 -3.473 165 HA GLU 20 HA GLU 20 -11.846 0.831 -3.395 166 HB2 GLU 20 HB2 GLU 20 -12.349 3.188 -2.141 167 HB3 GLU 20 HB3 GLU 20 -13.127 3.496 -3.713 168 HG2 GLU 20 HG2 GLU 20 -14.026 1.035 -3.320 169 HG3 GLU 20 HG3 GLU 20 -13.653 1.350 -1.647 170 H ASP 21 H ASP 21 -10.255 2.891 -5.628 171 HA ASP 21 HA ASP 21 -11.807 1.636 -7.867 172 HB2 ASP 21 HB2 ASP 21 -11.988 4.111 -7.847 173 HB3 ASP 21 HB3 ASP 21 -10.234 4.238 -7.845 174 H CYS 22 H CYS 22 -9.342 0.842 -6.074 175 HA CYS 22 HA CYS 22 -7.289 0.415 -8.121 176 HB2 CYS 22 HB2 CYS 22 -6.151 -0.918 -6.438 177 HB3 CYS 22 HB3 CYS 22 -6.610 0.627 -5.731 178 HG CYS 22 HG CYS 22 -6.875 -1.693 -4.184 179 H LYS 23 H LYS 23 -6.652 -1.724 -8.617 180 HA LYS 23 HA LYS 23 -8.898 -3.679 -8.986 181 HB2 LYS 23 HB2 LYS 23 -6.588 -2.851 -10.731 182 HB3 LYS 23 HB3 LYS 23 -7.440 -4.353 -10.990 183 HG2 LYS 23 HG2 LYS 23 -8.491 -2.958 -12.510 184 HG3 LYS 23 HG3 LYS 23 -9.565 -3.040 -11.126 185 HD2 LYS 23 HD2 LYS 23 -8.675 -0.791 -10.398 186 HD3 LYS 23 HD3 LYS 23 -7.932 -0.722 -12.017 187 HE2 LYS 23 HE2 LYS 23 -10.101 -0.886 -13.064 188 HE3 LYS 23 HE3 LYS 23 -10.891 -1.211 -11.503 189 HZ1 LYS 23 HZ1 LYS 23 -9.415 1.285 -12.063 190 HZ2 LYS 23 HZ2 LYS 23 -10.357 0.998 -10.780 191 HZ3 LYS 23 HZ3 LYS 23 -11.069 1.146 -12.237 192 H TYR 24 H TYR 24 -5.584 -3.086 -7.836 193 HA TYR 24 HA TYR 24 -5.786 -5.516 -6.383 194 HB2 TYR 24 HB2 TYR 24 -3.815 -6.650 -7.175 195 HB3 TYR 24 HB3 TYR 24 -4.898 -6.449 -8.518 196 HD1 TYR 24 HD1 TYR 24 -4.459 -4.775 -10.270 197 HD2 TYR 24 HD2 TYR 24 -1.601 -5.702 -7.196 198 HE1 TYR 24 HE1 TYR 24 -2.639 -3.889 -11.706 199 HE2 TYR 24 HE2 TYR 24 0.230 -4.942 -8.618 200 HH TYR 24 HH TYR 24 -0.430 -3.862 -12.047 201 H PHE 25 H PHE 25 -3.731 -5.848 -5.163 202 HA PHE 25 HA PHE 25 -2.569 -3.309 -4.179 203 HB2 PHE 25 HB2 PHE 25 -3.273 -5.841 -2.649 204 HB3 PHE 25 HB3 PHE 25 -2.635 -4.353 -1.977 205 HD1 PHE 25 HD2 PHE 25 -4.036 -2.198 -2.621 206 HD2 PHE 25 HD1 PHE 25 -5.616 -6.192 -2.609 207 HE1 PHE 25 HE2 PHE 25 -6.341 -1.287 -2.228 208 HE2 PHE 25 HE1 PHE 25 -7.919 -5.284 -2.317 209 HZ PHE 25 HZ PHE 25 -8.271 -2.835 -2.093 210 H LEU 26 H LEU 26 -0.503 -3.287 -4.804 211 HA LEU 26 HA LEU 26 0.906 -5.802 -5.369 212 HB2 LEU 26 HB2 LEU 26 1.212 -3.668 -6.763 213 HB3 LEU 26 HB3 LEU 26 2.095 -2.993 -5.383 214 HG LEU 26 HG LEU 26 3.657 -4.994 -5.535 215 HD11 LEU 26 HD11 LEU 26 3.550 -6.582 -7.176 216 HD12 LEU 26 HD12 LEU 26 2.747 -5.506 -8.375 217 HD13 LEU 26 HD13 LEU 26 1.832 -6.259 -7.105 218 HD21 LEU 26 HD21 LEU 26 4.852 -4.221 -7.534 219 HD22 LEU 26 HD22 LEU 26 4.238 -2.823 -6.613 220 HD23 LEU 26 HD23 LEU 26 3.402 -3.373 -8.091 221 H ILE 27 H ILE 27 1.738 -6.964 -3.732 222 HA ILE 27 HA ILE 27 2.283 -5.628 -1.165 223 HB ILE 27 HB ILE 27 2.563 -8.598 -1.539 224 HG12 ILE 27 HG12 ILE 27 0.285 -8.115 -2.248 225 HG13 ILE 27 HG13 ILE 27 0.273 -8.820 -0.645 226 HG21 ILE 27 HG21 ILE 27 2.184 -8.627 0.864 227 HG22 ILE 27 HG22 ILE 27 3.620 -7.700 0.415 228 HG23 ILE 27 HG23 ILE 27 2.139 -6.848 0.889 229 HD11 ILE 27 HD11 ILE 27 -0.118 -6.567 0.353 230 HD12 ILE 27 HD12 ILE 27 -0.085 -5.845 -1.268 231 HD13 ILE 27 HD13 ILE 27 -1.358 -6.977 -0.842 232 H VAL 28 H VAL 28 4.006 -4.491 -1.456 233 HA VAL 28 HA VAL 28 6.479 -5.164 -2.749 234 HB VAL 28 HB VAL 28 5.843 -3.212 -0.481 235 HG11 VAL 28 HG11 VAL 28 7.970 -2.993 -2.642 236 HG12 VAL 28 HG12 VAL 28 7.692 -1.865 -1.307 237 HG13 VAL 28 HG13 VAL 28 8.287 -3.496 -0.962 238 HG21 VAL 28 HG21 VAL 28 5.647 -2.790 -3.503 239 HG22 VAL 28 HG22 VAL 28 4.307 -2.729 -2.342 240 HG23 VAL 28 HG23 VAL 28 5.566 -1.504 -2.284 241 H ARG 29 H ARG 29 8.418 -5.882 -1.719 242 HA ARG 29 HA ARG 29 8.372 -6.727 1.078 243 HB2 ARG 29 HB2 ARG 29 7.921 -8.840 -0.187 244 HB3 ARG 29 HB3 ARG 29 9.375 -8.553 -1.146 245 HG2 ARG 29 HG2 ARG 29 10.458 -8.346 1.355 246 HG3 ARG 29 HG3 ARG 29 9.090 -9.385 1.729 247 HD2 ARG 29 HD2 ARG 29 9.883 -11.048 0.095 248 HD3 ARG 29 HD3 ARG 29 11.142 -9.911 -0.467 249 HE ARG 29 HE ARG 29 11.574 -10.094 2.234 250 HH11 ARG 29 HH11 ARG 29 12.040 -12.370 -0.456 251 HH12 ARG 29 HH12 ARG 29 12.576 -13.631 0.587 252 HH21 ARG 29 HH21 ARG 29 12.873 -11.446 3.370 253 HH22 ARG 29 HH22 ARG 29 13.409 -12.973 2.753 254 H ILE 30 H ILE 30 9.551 -4.928 1.437 255 HA ILE 30 HA ILE 30 12.133 -4.497 0.068 256 HB ILE 30 HB ILE 30 10.472 -2.919 2.003 257 HG12 ILE 30 HG12 ILE 30 11.870 -1.687 -0.340 258 HG13 ILE 30 HG13 ILE 30 10.479 -2.730 -0.650 259 HG21 ILE 30 HG21 ILE 30 12.683 -2.822 3.043 260 HG22 ILE 30 HG22 ILE 30 13.418 -2.442 1.471 261 HG23 ILE 30 HG23 ILE 30 12.351 -1.274 2.270 262 HD11 ILE 30 HD11 ILE 30 10.460 -0.392 1.302 263 HD12 ILE 30 HD12 ILE 30 9.764 -0.382 -0.338 264 HD13 ILE 30 HD13 ILE 30 9.093 -1.451 0.922 265 H ASP 31 H ASP 31 13.908 -5.462 1.061 266 HA ASP 31 HA ASP 31 13.554 -6.375 3.891 267 HB2 ASP 31 HB2 ASP 31 13.049 -8.099 1.782 268 HB3 ASP 31 HB3 ASP 31 14.699 -8.498 2.217 269 H ASP 32 H ASP 32 15.444 -4.772 1.947 270 HA ASP 32 HA ASP 32 17.269 -4.487 4.034 271 HB2 ASP 32 HB2 ASP 32 18.355 -6.492 2.760 272 HB3 ASP 32 HB3 ASP 32 18.781 -5.326 1.524 273 H ASN 33 H ASN 33 15.706 -2.759 3.453 274 HA ASN 33 HA ASN 33 15.093 -0.742 2.556 275 HB2 ASN 33 HB2 ASN 33 17.774 -0.484 3.243 276 HB3 ASN 33 HB3 ASN 33 17.768 0.077 1.593 277 HD21 ASN 33 HD21 ASN 33 15.529 0.392 4.493 278 HD22 ASN 33 HD22 ASN 33 15.447 2.104 4.392 279 H GLU 34 H GLU 34 15.708 -3.143 0.591 280 HA GLU 34 HA GLU 34 15.357 -1.679 -1.955 281 HB2 GLU 34 HB2 GLU 34 17.126 -4.037 -1.225 282 HB3 GLU 34 HB3 GLU 34 16.777 -3.560 -2.893 283 HG2 GLU 34 HG2 GLU 34 17.794 -1.368 -2.516 284 HG3 GLU 34 HG3 GLU 34 18.180 -1.785 -0.839 285 H VAL 35 H VAL 35 14.195 -2.793 -3.463 286 HA VAL 35 HA VAL 35 12.021 -4.483 -2.752 287 HB VAL 35 HB VAL 35 13.327 -3.653 -5.382 288 HG11 VAL 35 HG11 VAL 35 11.405 -4.270 -6.619 289 HG12 VAL 35 HG12 VAL 35 11.872 -5.706 -5.708 290 HG13 VAL 35 HG13 VAL 35 10.482 -4.728 -5.197 291 HG21 VAL 35 HG21 VAL 35 10.885 -2.550 -3.925 292 HG22 VAL 35 HG22 VAL 35 12.445 -1.737 -4.148 293 HG23 VAL 35 HG23 VAL 35 11.430 -2.057 -5.547 294 H LYS 36 H LYS 36 12.714 -6.423 -1.784 295 HA LYS 36 HA LYS 36 14.674 -8.086 -3.291 296 HB2 LYS 36 HB2 LYS 36 13.361 -8.628 -0.610 297 HB3 LYS 36 HB3 LYS 36 14.563 -9.627 -1.417 298 HG2 LYS 36 HG2 LYS 36 14.863 -7.031 0.048 299 HG3 LYS 36 HG3 LYS 36 15.808 -8.521 0.158 300 HD2 LYS 36 HD2 LYS 36 16.700 -7.883 -2.213 301 HD3 LYS 36 HD3 LYS 36 15.944 -6.304 -1.883 302 HE2 LYS 36 HE2 LYS 36 18.095 -5.913 -1.205 303 HE3 LYS 36 HE3 LYS 36 17.260 -6.315 0.326 304 HZ1 LYS 36 HZ1 LYS 36 19.514 -7.392 -0.155 305 HZ2 LYS 36 HZ2 LYS 36 18.811 -8.264 -1.291 306 HZ3 LYS 36 HZ3 LYS 36 18.324 -8.453 0.279 307 H SER 37 H SER 37 11.168 -7.871 -2.783 308 HA SER 37 HA SER 37 10.837 -9.564 -5.062 309 HB2 SER 37 HB2 SER 37 11.015 -11.011 -2.682 310 HB3 SER 37 HB3 SER 37 9.277 -10.745 -2.820 311 HG SER 37 HG SER 37 11.042 -11.894 -4.731 312 H THR 38 H THR 38 8.210 -9.964 -5.279 313 HA THR 38 HA THR 38 6.686 -7.761 -4.066 314 HB THR 38 HB THR 38 5.701 -7.422 -6.463 315 HG1 THR 38 HG1 THR 38 7.088 -7.752 -8.129 316 HG21 THR 38 HG21 THR 38 8.470 -6.317 -5.850 317 HG22 THR 38 HG22 THR 38 6.952 -5.741 -5.107 318 HG23 THR 38 HG23 THR 38 7.205 -5.570 -6.833 319 H LYS 39 H LYS 39 4.232 -8.129 -4.938 320 HA LYS 39 HA LYS 39 3.433 -10.855 -5.479 321 HB2 LYS 39 HB2 LYS 39 3.631 -9.908 -2.746 322 HB3 LYS 39 HB3 LYS 39 1.934 -9.841 -3.181 323 HG2 LYS 39 HG2 LYS 39 2.024 -11.831 -2.212 324 HG3 LYS 39 HG3 LYS 39 2.184 -12.325 -3.883 325 HD2 LYS 39 HD2 LYS 39 4.696 -11.699 -2.338 326 HD3 LYS 39 HD3 LYS 39 3.786 -13.076 -1.763 327 HE2 LYS 39 HE2 LYS 39 4.884 -12.799 -4.594 328 HE3 LYS 39 HE3 LYS 39 5.538 -13.806 -3.283 329 HZ1 LYS 39 HZ1 LYS 39 3.199 -14.818 -3.283 330 HZ2 LYS 39 HZ2 LYS 39 4.258 -15.299 -4.412 331 HZ3 LYS 39 HZ3 LYS 39 3.094 -14.210 -4.824 332 H VAL 40 H VAL 40 0.977 -10.781 -5.852 333 HA VAL 40 HA VAL 40 -0.182 -8.028 -6.005 334 HB VAL 40 HB VAL 40 -0.195 -10.291 -8.027 335 HG11 VAL 40 HG11 VAL 40 -1.888 -9.008 -9.314 336 HG12 VAL 40 HG12 VAL 40 -2.546 -9.686 -7.826 337 HG13 VAL 40 HG13 VAL 40 -2.138 -7.960 -7.909 338 HG21 VAL 40 HG21 VAL 40 0.328 -7.281 -8.278 339 HG22 VAL 40 HG22 VAL 40 1.593 -8.508 -8.209 340 HG23 VAL 40 HG23 VAL 40 0.461 -8.475 -9.568 341 H ILE 41 H ILE 41 -2.205 -7.934 -5.017 342 HA ILE 41 HA ILE 41 -3.721 -10.411 -4.422 343 HB ILE 41 HB ILE 41 -3.316 -7.995 -2.622 344 HG12 ILE 41 HG12 ILE 41 -2.788 -10.954 -2.208 345 HG13 ILE 41 HG13 ILE 41 -1.587 -9.665 -2.307 346 HG21 ILE 41 HG21 ILE 41 -5.058 -8.903 -1.158 347 HG22 ILE 41 HG22 ILE 41 -5.739 -8.672 -2.749 348 HG23 ILE 41 HG23 ILE 41 -5.259 -10.308 -2.236 349 HD11 ILE 41 HD11 ILE 41 -2.683 -8.677 -0.175 350 HD12 ILE 41 HD12 ILE 41 -3.541 -10.213 -0.035 351 HD13 ILE 41 HD13 ILE 41 -1.779 -10.198 0.011 352 H PHE 42 H PHE 42 -5.357 -10.244 -5.983 353 HA PHE 42 HA PHE 42 -6.068 -7.793 -7.277 354 HB2 PHE 42 HB2 PHE 42 -7.564 -10.426 -6.974 355 HB3 PHE 42 HB3 PHE 42 -8.120 -9.093 -7.968 356 HD1 PHE 42 HD2 PHE 42 -6.420 -8.126 -9.741 357 HD2 PHE 42 HD1 PHE 42 -6.149 -12.073 -7.999 358 HE1 PHE 42 HE2 PHE 42 -5.139 -8.904 -11.694 359 HE2 PHE 42 HE1 PHE 42 -4.839 -12.836 -9.959 360 HZ PHE 42 HZ PHE 42 -4.370 -11.259 -11.840 361 H ASN 43 H ASN 43 -7.814 -6.388 -6.973 362 HA ASN 43 HA ASN 43 -8.872 -6.108 -4.242 363 HB2 ASN 43 HB2 ASN 43 -8.123 -4.058 -5.349 364 HB3 ASN 43 HB3 ASN 43 -9.236 -4.365 -6.699 365 HD21 ASN 43 HD21 ASN 43 -10.511 -2.394 -6.373 366 HD22 ASN 43 HD22 ASN 43 -11.574 -2.293 -4.995 367 H ASP 44 H ASP 44 -9.799 -8.333 -4.707 368 HA ASP 44 HA ASP 44 -12.665 -7.935 -5.275 369 HB2 ASP 44 HB2 ASP 44 -10.845 -9.520 -6.984 370 HB3 ASP 44 HB3 ASP 44 -12.248 -10.424 -6.398 371 H GLU 45 H GLU 45 -12.972 -8.071 -3.214 372 HA GLU 45 HA GLU 45 -13.503 -8.900 -1.255 373 HB2 GLU 45 HB2 GLU 45 -15.020 -9.624 -3.166 374 HB3 GLU 45 HB3 GLU 45 -14.293 -11.216 -3.054 375 HG2 GLU 45 HG2 GLU 45 -16.323 -11.314 -1.860 376 HG3 GLU 45 HG3 GLU 45 -15.063 -11.280 -0.645 377 H SER 46 H SER 46 -12.226 -11.879 -2.685 378 HA SER 46 HA SER 46 -10.910 -13.098 -0.460 379 HB2 SER 46 HB2 SER 46 -11.080 -14.463 -2.266 380 HB3 SER 46 HB3 SER 46 -10.903 -13.157 -3.443 381 HG SER 46 HG SER 46 -8.750 -13.237 -3.301 382 H GLY 47 H GLY 47 -10.128 -10.390 -2.604 383 HA2 GLY 47 HA2 GLY 47 -7.418 -10.074 -2.020 384 HA3 GLY 47 HA3 GLY 47 -8.521 -8.750 -2.465 385 H LYS 48 H LYS 48 -10.084 -8.125 -0.632 386 HA LYS 48 HA LYS 48 -8.379 -7.007 1.406 387 HB2 LYS 48 HB2 LYS 48 -11.350 -6.928 0.828 388 HB3 LYS 48 HB3 LYS 48 -10.660 -6.118 2.245 389 HG2 LYS 48 HG2 LYS 48 -9.545 -4.511 1.009 390 HG3 LYS 48 HG3 LYS 48 -9.289 -5.576 -0.366 391 HD2 LYS 48 HD2 LYS 48 -10.777 -3.886 -1.083 392 HD3 LYS 48 HD3 LYS 48 -11.674 -5.405 -0.982 393 HE2 LYS 48 HE2 LYS 48 -12.556 -4.650 1.273 394 HE3 LYS 48 HE3 LYS 48 -11.736 -3.095 1.022 395 HZ1 LYS 48 HZ1 LYS 48 -13.855 -4.258 -0.675 396 HZ2 LYS 48 HZ2 LYS 48 -13.043 -2.840 -1.007 397 HZ3 LYS 48 HZ3 LYS 48 -14.005 -2.955 0.326 398 H LYS 49 H LYS 49 -10.517 -9.868 1.380 399 HA LYS 49 HA LYS 49 -10.342 -10.557 4.132 400 HB2 LYS 49 HB2 LYS 49 -10.362 -12.086 1.533 401 HB3 LYS 49 HB3 LYS 49 -9.955 -12.962 2.993 402 HG2 LYS 49 HG2 LYS 49 -12.073 -12.708 3.948 403 HG3 LYS 49 HG3 LYS 49 -12.529 -11.379 2.852 404 HD2 LYS 49 HD2 LYS 49 -12.677 -12.797 0.966 405 HD3 LYS 49 HD3 LYS 49 -11.776 -14.101 1.727 406 HE2 LYS 49 HE2 LYS 49 -14.566 -13.241 2.556 407 HE3 LYS 49 HE3 LYS 49 -14.201 -14.507 1.390 408 HZ1 LYS 49 HZ1 LYS 49 -14.110 -15.881 3.028 409 HZ2 LYS 49 HZ2 LYS 49 -14.245 -14.723 4.169 410 HZ3 LYS 49 HZ3 LYS 49 -12.747 -15.166 3.610 411 H SER 50 H SER 50 -7.956 -11.158 1.472 412 HA SER 50 HA SER 50 -6.142 -12.507 3.212 413 HB2 SER 50 HB2 SER 50 -5.629 -11.273 0.480 414 HB3 SER 50 HB3 SER 50 -4.674 -12.537 1.285 415 HG SER 50 HG SER 50 -7.264 -12.652 0.162 416 H ILE 51 H ILE 51 -6.595 -9.072 2.585 417 HA ILE 51 HA ILE 51 -4.030 -8.175 3.638 418 HB ILE 51 HB ILE 51 -6.759 -6.840 3.384 419 HG12 ILE 51 HG12 ILE 51 -4.217 -6.771 1.666 420 HG13 ILE 51 HG13 ILE 51 -5.762 -7.465 1.204 421 HG21 ILE 51 HG21 ILE 51 -5.490 -4.671 3.654 422 HG22 ILE 51 HG22 ILE 51 -5.501 -5.668 5.079 423 HG23 ILE 51 HG23 ILE 51 -4.049 -5.652 4.074 424 HD11 ILE 51 HD11 ILE 51 -6.771 -5.139 1.325 425 HD12 ILE 51 HD12 ILE 51 -5.101 -4.522 1.484 426 HD13 ILE 51 HD13 ILE 51 -5.570 -5.423 0.051 427 H VAL 52 H VAL 52 -6.810 -9.598 5.130 428 HA VAL 52 HA VAL 52 -6.068 -8.652 7.826 429 HB VAL 52 HB VAL 52 -7.989 -10.845 7.038 430 HG11 VAL 52 HG11 VAL 52 -7.446 -10.859 9.476 431 HG12 VAL 52 HG12 VAL 52 -7.846 -9.139 9.566 432 HG13 VAL 52 HG13 VAL 52 -9.105 -10.337 9.201 433 HG21 VAL 52 HG21 VAL 52 -8.724 -8.888 5.918 434 HG22 VAL 52 HG22 VAL 52 -9.738 -9.054 7.346 435 HG23 VAL 52 HG23 VAL 52 -8.390 -7.874 7.333 436 H LYS 53 H LYS 53 -5.105 -11.289 5.684 437 HA LYS 53 HA LYS 53 -3.867 -12.676 7.986 438 HB2 LYS 53 HB2 LYS 53 -5.388 -13.680 5.590 439 HB3 LYS 53 HB3 LYS 53 -4.025 -14.639 6.153 440 HG2 LYS 53 HG2 LYS 53 -5.864 -15.527 7.271 441 HG3 LYS 53 HG3 LYS 53 -4.901 -14.598 8.432 442 HD2 LYS 53 HD2 LYS 53 -6.548 -12.846 8.546 443 HD3 LYS 53 HD3 LYS 53 -7.443 -13.536 7.181 444 HE2 LYS 53 HE2 LYS 53 -8.620 -14.115 9.227 445 HE3 LYS 53 HE3 LYS 53 -7.898 -15.580 8.553 446 HZ1 LYS 53 HZ1 LYS 53 -7.509 -15.558 10.874 447 HZ2 LYS 53 HZ2 LYS 53 -6.923 -14.043 10.887 448 HZ3 LYS 53 HZ3 LYS 53 -6.070 -15.286 10.185 449 H GLU 54 H GLU 54 -2.497 -10.544 7.109 450 HA GLU 54 HA GLU 54 -0.207 -11.690 5.650 451 HB2 GLU 54 HB2 GLU 54 -0.122 -9.241 4.800 452 HB3 GLU 54 HB3 GLU 54 -1.359 -10.301 4.152 453 HG2 GLU 54 HG2 GLU 54 -2.168 -8.001 4.721 454 HG3 GLU 54 HG3 GLU 54 -3.045 -9.343 5.422 455 H ASN 55 H ASN 55 1.416 -9.554 5.815 456 HA ASN 55 HA ASN 55 1.766 -8.730 8.624 457 HB2 ASN 55 HB2 ASN 55 3.912 -9.993 6.883 458 HB3 ASN 55 HB3 ASN 55 4.257 -9.020 8.301 459 HD21 ASN 55 HD21 ASN 55 3.798 -9.808 10.415 460 HD22 ASN 55 HD22 ASN 55 3.422 -11.486 10.675 461 H VAL 56 H VAL 56 0.520 -7.217 6.446 462 HA VAL 56 HA VAL 56 2.619 -5.541 5.229 463 HB VAL 56 HB VAL 56 -0.271 -4.700 5.619 464 HG11 VAL 56 HG11 VAL 56 1.234 -3.019 4.766 465 HG12 VAL 56 HG12 VAL 56 1.602 -4.055 3.368 466 HG13 VAL 56 HG13 VAL 56 -0.044 -3.431 3.623 467 HG21 VAL 56 HG21 VAL 56 -0.817 -5.488 3.323 468 HG22 VAL 56 HG22 VAL 56 0.789 -6.233 3.179 469 HG23 VAL 56 HG23 VAL 56 -0.383 -6.882 4.352 470 H ASN 57 H ASN 57 3.245 -3.648 6.045 471 HA ASN 57 HA ASN 57 2.782 -3.073 8.939 472 HB2 ASN 57 HB2 ASN 57 5.135 -3.144 7.465 473 HB3 ASN 57 HB3 ASN 57 4.671 -1.449 7.338 474 HD21 ASN 57 HD21 ASN 57 6.373 -3.692 9.113 475 HD22 ASN 57 HD22 ASN 57 6.622 -2.678 10.487 476 H ALA 58 H ALA 58 2.266 -1.799 5.641 477 HA ALA 58 HA ALA 58 0.629 0.382 6.577 478 HB1 ALA 58 HB1 ALA 58 2.825 1.417 6.929 479 HB2 ALA 58 HB2 ALA 58 3.331 0.990 5.277 480 HB3 ALA 58 HB3 ALA 58 2.030 2.172 5.536 481 H ILE 59 H ILE 59 -0.553 1.378 4.851 482 HA ILE 59 HA ILE 59 -0.325 0.211 2.099 483 HB ILE 59 HB ILE 59 -2.457 1.722 3.737 484 HG12 ILE 59 HG12 ILE 59 -2.754 -0.900 2.276 485 HG13 ILE 59 HG13 ILE 59 -2.117 -0.844 3.896 486 HG21 ILE 59 HG21 ILE 59 -3.965 1.569 1.698 487 HG22 ILE 59 HG22 ILE 59 -2.663 2.740 1.585 488 HG23 ILE 59 HG23 ILE 59 -2.513 1.187 0.749 489 HD11 ILE 59 HD11 ILE 59 -4.499 -1.370 3.972 490 HD12 ILE 59 HD12 ILE 59 -4.166 0.172 4.771 491 HD13 ILE 59 HD13 ILE 59 -4.895 0.148 3.149 492 H ILE 60 H ILE 60 0.002 1.792 0.375 493 HA ILE 60 HA ILE 60 0.164 4.632 1.170 494 HB ILE 60 HB ILE 60 1.735 3.368 -1.040 495 HG12 ILE 60 HG12 ILE 60 2.919 4.106 1.609 496 HG13 ILE 60 HG13 ILE 60 2.579 2.475 1.098 497 HG21 ILE 60 HG21 ILE 60 1.982 6.095 0.338 498 HG22 ILE 60 HG22 ILE 60 2.838 5.582 -1.129 499 HG23 ILE 60 HG23 ILE 60 1.098 5.833 -1.173 500 HD11 ILE 60 HD11 ILE 60 4.833 2.826 0.553 501 HD12 ILE 60 HD12 ILE 60 3.956 2.806 -0.972 502 HD13 ILE 60 HD13 ILE 60 4.485 4.358 -0.291 503 H CYS 61 H CYS 61 -1.499 5.720 -0.084 504 HA CYS 61 HA CYS 61 -2.327 4.654 -2.681 505 HB2 CYS 61 HB2 CYS 61 -4.756 4.813 -2.029 506 HB3 CYS 61 HB3 CYS 61 -3.909 3.444 -1.390 507 HG CYS 61 HG CYS 61 -3.209 5.205 0.826 508 H LYS 62 H LYS 62 -3.706 6.251 -3.820 509 HA LYS 62 HA LYS 62 -2.973 9.049 -3.266 510 HB2 LYS 62 HB2 LYS 62 -4.612 7.554 -5.314 511 HB3 LYS 62 HB3 LYS 62 -5.021 9.245 -4.988 512 HG2 LYS 62 HG2 LYS 62 -2.728 9.927 -5.506 513 HG3 LYS 62 HG3 LYS 62 -2.301 8.234 -5.912 514 HD2 LYS 62 HD2 LYS 62 -3.889 8.209 -7.755 515 HD3 LYS 62 HD3 LYS 62 -4.579 9.769 -7.249 516 HE2 LYS 62 HE2 LYS 62 -2.385 10.853 -7.634 517 HE3 LYS 62 HE3 LYS 62 -1.740 9.341 -8.265 518 HZ1 LYS 62 HZ1 LYS 62 -2.763 11.155 -9.808 519 HZ2 LYS 62 HZ2 LYS 62 -4.191 10.352 -9.462 520 HZ3 LYS 62 HZ3 LYS 62 -2.939 9.564 -10.167 521 H ASN 63 H ASN 63 -5.893 6.904 -2.857 522 HA ASN 63 HA ASN 63 -6.831 8.597 -0.724 523 HB2 ASN 63 HB2 ASN 63 -8.200 8.589 -3.440 524 HB3 ASN 63 HB3 ASN 63 -9.118 8.803 -1.958 525 HD21 ASN 63 HD21 ASN 63 -7.885 10.636 -4.362 526 HD22 ASN 63 HD22 ASN 63 -7.075 11.915 -3.466 527 H ILE 64 H ILE 64 -9.150 7.574 -0.082 528 HA ILE 64 HA ILE 64 -9.382 4.748 -0.462 529 HB ILE 64 HB ILE 64 -7.354 4.533 0.723 530 HG12 ILE 64 HG12 ILE 64 -9.523 4.277 2.832 531 HG13 ILE 64 HG13 ILE 64 -9.256 3.139 1.514 532 HG21 ILE 64 HG21 ILE 64 -6.707 5.672 2.765 533 HG22 ILE 64 HG22 ILE 64 -7.048 6.854 1.540 534 HG23 ILE 64 HG23 ILE 64 -8.256 6.560 2.801 535 HD11 ILE 64 HD11 ILE 64 -8.215 2.264 3.509 536 HD12 ILE 64 HD12 ILE 64 -6.928 2.736 2.379 537 HD13 ILE 64 HD13 ILE 64 -7.325 3.772 3.773 538 H SER 65 H SER 65 -11.552 4.589 -0.225 539 HA SER 65 HA SER 65 -13.134 6.626 0.603 540 HB2 SER 65 HB2 SER 65 -13.742 4.326 -0.524 541 HB3 SER 65 HB3 SER 65 -14.162 3.838 1.147 542 HG SER 65 HG SER 65 -15.834 4.915 -0.262 543 H GLU 66 H GLU 66 -14.217 7.255 2.409 544 HA GLU 66 HA GLU 66 -12.965 7.360 4.776 545 HB2 GLU 66 HB2 GLU 66 -15.182 8.512 3.777 546 HB3 GLU 66 HB3 GLU 66 -15.992 7.317 4.759 547 HG2 GLU 66 HG2 GLU 66 -15.797 8.802 6.437 548 HG3 GLU 66 HG3 GLU 66 -14.137 8.273 6.542 549 H GLU 67 H GLU 67 -15.514 4.975 3.976 550 HA GLU 67 HA GLU 67 -15.478 3.643 6.490 551 HB2 GLU 67 HB2 GLU 67 -17.111 3.490 4.328 552 HB3 GLU 67 HB3 GLU 67 -16.137 2.068 4.018 553 HG2 GLU 67 HG2 GLU 67 -16.538 1.415 6.474 554 HG3 GLU 67 HG3 GLU 67 -17.747 2.700 6.520 555 H ASN 68 H ASN 68 -13.756 2.893 3.452 556 HA ASN 68 HA ASN 68 -12.471 0.475 4.315 557 HB2 ASN 68 HB2 ASN 68 -12.179 2.388 2.030 558 HB3 ASN 68 HB3 ASN 68 -10.702 1.564 2.510 559 HD21 ASN 68 HD21 ASN 68 -12.538 1.309 0.036 560 HD22 ASN 68 HD22 ASN 68 -12.486 -0.402 -0.190 561 H TYR 69 H TYR 69 -11.538 3.938 4.510 562 HA TYR 69 HA TYR 69 -8.926 3.567 5.560 563 HB2 TYR 69 HB2 TYR 69 -9.786 5.732 4.664 564 HB3 TYR 69 HB3 TYR 69 -10.852 5.884 6.046 565 HD1 TYR 69 HD2 TYR 69 -9.907 6.313 8.347 566 HD2 TYR 69 HD1 TYR 69 -7.399 6.134 4.852 567 HE1 TYR 69 HE2 TYR 69 -8.008 7.146 9.666 568 HE2 TYR 69 HE1 TYR 69 -5.507 7.024 6.146 569 HH TYR 69 HH TYR 69 -5.565 8.322 9.150 570 H LYS 70 H LYS 70 -11.952 4.400 7.316 571 HA LYS 70 HA LYS 70 -10.787 4.073 9.901 572 HB2 LYS 70 HB2 LYS 70 -13.698 3.924 9.016 573 HB3 LYS 70 HB3 LYS 70 -13.166 4.015 10.697 574 HG2 LYS 70 HG2 LYS 70 -12.110 6.216 10.278 575 HG3 LYS 70 HG3 LYS 70 -12.622 6.139 8.592 576 HD2 LYS 70 HD2 LYS 70 -15.010 5.663 9.895 577 HD3 LYS 70 HD3 LYS 70 -14.202 6.752 11.041 578 HE2 LYS 70 HE2 LYS 70 -13.842 8.373 9.224 579 HE3 LYS 70 HE3 LYS 70 -14.534 7.233 8.063 580 HZ1 LYS 70 HZ1 LYS 70 -15.992 9.080 8.892 581 HZ2 LYS 70 HZ2 LYS 70 -16.141 8.289 10.298 582 HZ3 LYS 70 HZ3 LYS 70 -16.664 7.598 8.884 583 H LYS 71 H LYS 71 -12.081 1.688 7.684 584 HA LYS 71 HA LYS 71 -12.286 -0.433 9.637 585 HB2 LYS 71 HB2 LYS 71 -13.474 -0.347 7.466 586 HB3 LYS 71 HB3 LYS 71 -11.964 -0.589 6.600 587 HG2 LYS 71 HG2 LYS 71 -11.894 -2.824 7.088 588 HG3 LYS 71 HG3 LYS 71 -12.502 -2.594 8.739 589 HD2 LYS 71 HD2 LYS 71 -14.769 -2.120 7.771 590 HD3 LYS 71 HD3 LYS 71 -14.171 -2.598 6.186 591 HE2 LYS 71 HE2 LYS 71 -13.872 -4.416 8.606 592 HE3 LYS 71 HE3 LYS 71 -15.414 -4.316 7.755 593 HZ1 LYS 71 HZ1 LYS 71 -13.994 -6.110 6.907 594 HZ2 LYS 71 HZ2 LYS 71 -12.875 -5.030 6.397 595 HZ3 LYS 71 HZ3 LYS 71 -14.355 -4.994 5.742 596 H PHE 72 H PHE 72 -9.806 0.290 7.064 597 HA PHE 72 HA PHE 72 -8.163 -1.854 8.087 598 HB2 PHE 72 HB2 PHE 72 -7.930 0.129 5.818 599 HB3 PHE 72 HB3 PHE 72 -6.507 -0.757 6.333 600 HD1 PHE 72 HD1 PHE 72 -6.721 -3.292 6.726 601 HD2 PHE 72 HD2 PHE 72 -9.485 -1.020 4.314 602 HE1 PHE 72 HE1 PHE 72 -7.519 -5.372 5.715 603 HE2 PHE 72 HE2 PHE 72 -10.279 -3.113 3.264 604 HZ PHE 72 HZ PHE 72 -9.286 -5.306 3.934 605 H SER 73 H SER 73 -8.368 1.428 9.151 606 HA SER 73 HA SER 73 -5.692 1.872 9.676 607 HB2 SER 73 HB2 SER 73 -6.671 3.558 11.336 608 HB3 SER 73 HB3 SER 73 -7.247 3.619 9.661 609 HG SER 73 HG SER 73 -8.588 2.481 11.901 610 H LYS 74 H LYS 74 -7.333 -0.675 11.106 611 HA LYS 74 HA LYS 74 -5.963 -0.558 13.698 612 HB2 LYS 74 HB2 LYS 74 -7.892 -2.469 12.354 613 HB3 LYS 74 HB3 LYS 74 -6.918 -3.043 13.695 614 HG2 LYS 74 HG2 LYS 74 -8.451 -0.462 14.079 615 HG3 LYS 74 HG3 LYS 74 -9.341 -1.991 14.061 616 HD2 LYS 74 HD2 LYS 74 -8.829 -1.341 16.332 617 HD3 LYS 74 HD3 LYS 74 -7.987 -2.838 15.910 618 HE2 LYS 74 HE2 LYS 74 -5.911 -1.534 15.493 619 HE3 LYS 74 HE3 LYS 74 -6.756 -0.036 15.932 620 HZ1 LYS 74 HZ1 LYS 74 -7.013 -0.944 18.159 621 HZ2 LYS 74 HZ2 LYS 74 -5.420 -0.953 17.701 622 HZ3 LYS 74 HZ3 LYS 74 -6.308 -2.350 17.700 623 H LYS 75 H LYS 75 -3.890 -0.860 13.606 624 HA LYS 75 HA LYS 75 -1.978 -1.983 13.706 625 HB2 LYS 75 HB2 LYS 75 -3.229 -4.141 13.654 626 HB3 LYS 75 HB3 LYS 75 -3.092 -4.176 11.903 627 HG2 LYS 75 HG2 LYS 75 -0.558 -3.828 13.485 628 HG3 LYS 75 HG3 LYS 75 -1.352 -5.383 13.591 629 HD2 LYS 75 HD2 LYS 75 -1.153 -5.829 11.290 630 HD3 LYS 75 HD3 LYS 75 -0.719 -4.165 10.883 631 HE2 LYS 75 HE2 LYS 75 1.421 -4.357 11.978 632 HE3 LYS 75 HE3 LYS 75 0.998 -5.923 12.672 633 HZ1 LYS 75 HZ1 LYS 75 1.286 -5.425 9.769 634 HZ2 LYS 75 HZ2 LYS 75 0.974 -6.866 10.485 635 HZ3 LYS 75 HZ3 LYS 75 2.433 -6.135 10.700 636 H ILE 76 H ILE 76 -3.553 -1.381 10.626 637 HA ILE 76 HA ILE 76 -0.901 -1.145 9.303 638 HB ILE 76 HB ILE 76 -3.649 -1.158 7.992 639 HG12 ILE 76 HG12 ILE 76 -1.774 -3.539 8.374 640 HG13 ILE 76 HG13 ILE 76 -3.335 -3.331 9.178 641 HG21 ILE 76 HG21 ILE 76 -0.858 -1.710 6.885 642 HG22 ILE 76 HG22 ILE 76 -2.375 -1.639 5.955 643 HG23 ILE 76 HG23 ILE 76 -1.754 -0.186 6.700 644 HD11 ILE 76 HD11 ILE 76 -3.606 -4.863 7.336 645 HD12 ILE 76 HD12 ILE 76 -4.483 -3.371 6.953 646 HD13 ILE 76 HD13 ILE 76 -2.906 -3.734 6.200 647 H GLU 77 H GLU 77 -0.057 0.781 9.072 648 HA GLU 77 HA GLU 77 -1.638 3.249 9.479 649 HB2 GLU 77 HB2 GLU 77 1.299 2.733 8.957 650 HB3 GLU 77 HB3 GLU 77 0.572 4.354 9.100 651 HG2 GLU 77 HG2 GLU 77 -0.253 3.811 11.361 652 HG3 GLU 77 HG3 GLU 77 0.444 2.203 11.261 653 H ILE 78 H ILE 78 -1.773 4.933 7.726 654 HA ILE 78 HA ILE 78 -1.862 3.657 5.029 655 HB ILE 78 HB ILE 78 -3.993 5.297 6.446 656 HG12 ILE 78 HG12 ILE 78 -4.117 2.378 5.556 657 HG13 ILE 78 HG13 ILE 78 -3.769 2.862 7.195 658 HG21 ILE 78 HG21 ILE 78 -5.355 4.905 4.422 659 HG22 ILE 78 HG22 ILE 78 -3.887 5.770 4.003 660 HG23 ILE 78 HG23 ILE 78 -4.015 4.031 3.652 661 HD11 ILE 78 HD11 ILE 78 -6.369 3.354 5.747 662 HD12 ILE 78 HD12 ILE 78 -6.049 2.232 7.070 663 HD13 ILE 78 HD13 ILE 78 -5.972 3.981 7.365 664 H TYR 79 H TYR 79 -0.649 4.778 3.671 665 HA TYR 79 HA TYR 79 0.143 7.545 4.295 666 HB2 TYR 79 HB2 TYR 79 1.567 5.267 2.949 667 HB3 TYR 79 HB3 TYR 79 2.139 6.918 2.904 668 HD1 TYR 79 HD2 TYR 79 0.917 4.586 5.686 669 HD2 TYR 79 HD1 TYR 79 3.845 7.345 4.288 670 HE1 TYR 79 HE2 TYR 79 2.355 4.069 7.649 671 HE2 TYR 79 HE1 TYR 79 5.285 6.881 6.264 672 HH TYR 79 HH TYR 79 4.658 4.339 8.581 673 H HIS 80 H HIS 80 0.706 8.897 2.569 674 HA HIS 80 HA HIS 80 -1.334 8.787 0.463 675 HB2 HIS 80 HB2 HIS 80 -1.059 10.690 2.098 676 HB3 HIS 80 HB3 HIS 80 0.429 11.112 1.261 677 HD1 HIS 80 HD1 HIS 80 -0.324 13.343 -0.019 678 HD2 HIS 80 HD2 HIS 80 -2.991 10.076 -0.355 679 HE1 HIS 80 HE1 HIS 80 -2.253 14.036 -1.614 680 H ALA 81 H ALA 81 -0.920 8.583 -1.663 681 HA ALA 81 HA ALA 81 1.783 7.957 -2.575 682 HB1 ALA 81 HB1 ALA 81 0.605 7.590 -4.765 683 HB2 ALA 81 HB2 ALA 81 -0.141 6.679 -3.438 684 HB3 ALA 81 HB3 ALA 81 -0.889 8.179 -4.036 685 H GLU 82 H GLU 82 3.185 9.358 -3.571 686 HA GLU 82 HA GLU 82 2.224 12.055 -4.290 687 HB2 GLU 82 HB2 GLU 82 4.720 10.960 -3.001 688 HB3 GLU 82 HB3 GLU 82 4.845 12.457 -3.908 689 HG2 GLU 82 HG2 GLU 82 2.836 12.009 -1.660 690 HG3 GLU 82 HG3 GLU 82 4.416 12.730 -1.448 691 H GLY 83 H GLY 83 2.288 9.571 -5.901 692 HA2 GLY 83 HA2 GLY 83 2.988 10.978 -8.317 693 HA3 GLY 83 HA3 GLY 83 3.938 9.525 -8.027 694 H ASP 84 H ASP 84 2.273 9.575 -10.164 695 HA ASP 84 HA ASP 84 0.229 7.473 -9.573 696 HB2 ASP 84 HB2 ASP 84 1.323 8.561 -12.206 697 HB3 ASP 84 HB3 ASP 84 0.119 7.304 -12.030 698 H ASP 85 H ASP 85 3.551 8.142 -10.389 699 HA ASP 85 HA ASP 85 4.149 5.593 -11.492 700 HB2 ASP 85 HB2 ASP 85 5.549 7.759 -11.754 701 HB3 ASP 85 HB3 ASP 85 6.010 7.554 -10.145 702 H VAL 86 H VAL 86 3.738 3.876 -10.298 703 HA VAL 86 HA VAL 86 4.059 3.344 -7.559 704 HB VAL 86 HB VAL 86 4.633 1.513 -9.921 705 HG11 VAL 86 HG11 VAL 86 5.749 0.532 -8.024 706 HG12 VAL 86 HG12 VAL 86 4.389 0.856 -6.943 707 HG13 VAL 86 HG13 VAL 86 4.242 -0.354 -8.247 708 HG21 VAL 86 HG21 VAL 86 2.298 2.312 -9.827 709 HG22 VAL 86 HG22 VAL 86 2.446 0.597 -9.465 710 HG23 VAL 86 HG23 VAL 86 2.178 1.730 -8.135 711 H ASP 87 H ASP 87 6.535 3.318 -10.165 712 HA ASP 87 HA ASP 87 8.610 2.208 -8.623 713 HB2 ASP 87 HB2 ASP 87 8.499 3.834 -11.165 714 HB3 ASP 87 HB3 ASP 87 10.047 3.608 -10.362 715 H LYS 88 H LYS 88 8.154 5.669 -9.524 716 HA LYS 88 HA LYS 88 9.805 6.949 -7.768 717 HB2 LYS 88 HB2 LYS 88 8.270 7.977 -9.485 718 HB3 LYS 88 HB3 LYS 88 6.939 7.703 -8.393 719 HG2 LYS 88 HG2 LYS 88 9.257 9.216 -7.284 720 HG3 LYS 88 HG3 LYS 88 8.310 10.011 -8.562 721 HD2 LYS 88 HD2 LYS 88 6.297 9.178 -6.944 722 HD3 LYS 88 HD3 LYS 88 7.583 9.306 -5.757 723 HE2 LYS 88 HE2 LYS 88 6.665 11.455 -7.729 724 HE3 LYS 88 HE3 LYS 88 6.176 11.400 -6.041 725 HZ1 LYS 88 HZ1 LYS 88 8.040 12.954 -6.737 726 HZ2 LYS 88 HZ2 LYS 88 9.040 11.643 -6.650 727 HZ3 LYS 88 HZ3 LYS 88 8.162 12.187 -5.349 728 H ASN 89 H ASN 89 6.562 5.612 -6.946 729 HA ASN 89 HA ASN 89 6.486 6.913 -4.411 730 HB2 ASN 89 HB2 ASN 89 4.903 4.621 -5.663 731 HB3 ASN 89 HB3 ASN 89 4.768 4.981 -3.951 732 HD21 ASN 89 HD21 ASN 89 4.764 7.023 -6.938 733 HD22 ASN 89 HD22 ASN 89 3.384 7.964 -6.412 734 H ILE 90 H ILE 90 7.485 3.608 -5.413 735 HA ILE 90 HA ILE 90 7.729 2.428 -2.829 736 HB ILE 90 HB ILE 90 9.275 1.985 -5.427 737 HG12 ILE 90 HG12 ILE 90 7.157 0.161 -4.192 738 HG13 ILE 90 HG13 ILE 90 6.749 1.424 -5.311 739 HG21 ILE 90 HG21 ILE 90 10.691 1.222 -3.578 740 HG22 ILE 90 HG22 ILE 90 9.343 0.282 -2.895 741 HG23 ILE 90 HG23 ILE 90 10.075 -0.153 -4.458 742 HD11 ILE 90 HD11 ILE 90 8.189 0.408 -7.043 743 HD12 ILE 90 HD12 ILE 90 8.612 -0.907 -5.924 744 HD13 ILE 90 HD13 ILE 90 6.945 -0.716 -6.457 745 H SER 91 H SER 91 10.065 4.273 -4.843 746 HA SER 91 HA SER 91 12.112 4.343 -2.899 747 HB2 SER 91 HB2 SER 91 12.516 6.571 -4.445 748 HB3 SER 91 HB3 SER 91 13.058 4.919 -4.794 749 HG SER 91 HG SER 91 10.582 6.017 -5.667 750 H LEU 92 H LEU 92 9.066 6.171 -2.705 751 HA LEU 92 HA LEU 92 10.273 8.301 -1.062 752 HB2 LEU 92 HB2 LEU 92 7.525 7.832 -2.029 753 HB3 LEU 92 HB3 LEU 92 8.124 9.113 -0.934 754 HG LEU 92 HG LEU 92 8.834 8.693 -3.856 755 HD11 LEU 92 HD11 LEU 92 6.679 9.718 -3.519 756 HD12 LEU 92 HD12 LEU 92 7.828 10.907 -4.095 757 HD13 LEU 92 HD13 LEU 92 7.390 10.923 -2.398 758 HD21 LEU 92 HD21 LEU 92 10.876 9.501 -2.889 759 HD22 LEU 92 HD22 LEU 92 10.021 10.733 -1.945 760 HD23 LEU 92 HD23 LEU 92 10.104 10.843 -3.712 761 H PHE 93 H PHE 93 8.171 5.517 -0.842 762 HA PHE 93 HA PHE 93 7.537 5.685 1.749 763 HB2 PHE 93 HB2 PHE 93 6.534 4.236 0.313 764 HB3 PHE 93 HB3 PHE 93 7.963 3.231 0.060 765 HD1 PHE 93 HD1 PHE 93 5.732 4.442 2.890 766 HD2 PHE 93 HD2 PHE 93 8.401 1.394 1.394 767 HE1 PHE 93 HE1 PHE 93 5.348 3.149 4.940 768 HE2 PHE 93 HE2 PHE 93 7.987 0.061 3.403 769 HZ PHE 93 HZ PHE 93 6.484 0.860 5.170 770 H ILE 94 H ILE 94 10.366 3.880 0.565 771 HA ILE 94 HA ILE 94 11.578 2.949 2.836 772 HB ILE 94 HB ILE 94 12.648 4.067 0.221 773 HG12 ILE 94 HG12 ILE 94 12.501 1.167 1.165 774 HG13 ILE 94 HG13 ILE 94 11.111 1.938 0.408 775 HG21 ILE 94 HG21 ILE 94 14.515 4.194 1.777 776 HG22 ILE 94 HG22 ILE 94 14.172 2.558 2.372 777 HG23 ILE 94 HG23 ILE 94 14.767 2.815 0.720 778 HD11 ILE 94 HD11 ILE 94 13.815 1.587 -0.913 779 HD12 ILE 94 HD12 ILE 94 12.333 0.678 -1.245 780 HD13 ILE 94 HD13 ILE 94 12.413 2.410 -1.625 781 H GLU 95 H GLU 95 11.916 6.360 1.522 782 HA GLU 95 HA GLU 95 13.477 7.167 3.855 783 HB2 GLU 95 HB2 GLU 95 12.230 8.469 1.443 784 HB3 GLU 95 HB3 GLU 95 12.754 9.494 2.758 785 HG2 GLU 95 HG2 GLU 95 14.607 7.351 1.575 786 HG3 GLU 95 HG3 GLU 95 14.425 8.919 0.813 787 H GLY 96 H GLY 96 10.094 6.797 3.128 788 HA2 GLY 96 HA2 GLY 96 8.210 7.219 4.414 789 HA3 GLY 96 HA3 GLY 96 9.245 7.851 5.712 790 H GLU 97 H GLU 97 9.153 8.848 2.213 791 HA GLU 97 HA GLU 97 9.067 11.666 3.003 792 HB2 GLU 97 HB2 GLU 97 9.726 10.045 0.670 793 HB3 GLU 97 HB3 GLU 97 8.517 11.216 0.199 794 HG2 GLU 97 HG2 GLU 97 10.749 12.336 1.852 795 HG3 GLU 97 HG3 GLU 97 11.222 11.626 0.317 796 H LEU 98 H LEU 98 6.863 9.085 2.471 797 HA LEU 98 HA LEU 98 4.623 10.782 1.616 798 HB2 LEU 98 HB2 LEU 98 4.728 7.854 2.352 799 HB3 LEU 98 HB3 LEU 98 3.515 8.551 1.378 800 HG LEU 98 HG LEU 98 5.089 7.691 -0.461 801 HD11 LEU 98 HD11 LEU 98 5.935 9.371 -1.509 802 HD12 LEU 98 HD12 LEU 98 6.377 10.288 -0.089 803 HD13 LEU 98 HD13 LEU 98 4.680 10.176 -0.601 804 HD21 LEU 98 HD21 LEU 98 6.684 6.849 -0.302 805 HD22 LEU 98 HD22 LEU 98 5.595 6.389 0.948 806 HD23 LEU 98 HD23 LEU 98 6.979 7.546 1.356 807 H SER 99 H SER 99 3.350 11.661 2.937 808 HA SER 99 HA SER 99 3.502 11.240 5.855 809 HB2 SER 99 HB2 SER 99 1.945 13.057 3.999 810 HB3 SER 99 HB3 SER 99 1.365 12.787 5.674 811 HG SER 99 HG SER 99 3.826 13.882 4.785 812 H LYS 100 H LYS 100 1.869 10.357 7.068 813 HA LYS 100 HA LYS 100 0.162 8.341 5.990 814 HB2 LYS 100 HB2 LYS 100 0.145 9.891 8.581 815 HB3 LYS 100 HB3 LYS 100 -1.123 8.726 8.137 816 HG2 LYS 100 HG2 LYS 100 0.517 6.957 7.795 817 HG3 LYS 100 HG3 LYS 100 1.849 8.055 8.065 818 HD2 LYS 100 HD2 LYS 100 1.618 6.795 10.020 819 HD3 LYS 100 HD3 LYS 100 1.176 8.449 10.399 820 HE2 LYS 100 HE2 LYS 100 -0.782 6.140 10.009 821 HE3 LYS 100 HE3 LYS 100 -0.174 6.745 11.563 822 HZ1 LYS 100 HZ1 LYS 100 -1.940 8.110 9.671 823 HZ2 LYS 100 HZ2 LYS 100 -1.143 8.951 10.856 824 HZ3 LYS 100 HZ3 LYS 100 -2.236 7.770 11.230 825 H ILE 101 H ILE 101 -2.049 8.544 5.431 826 HA ILE 101 HA ILE 101 -3.133 11.094 4.506 827 HB ILE 101 HB ILE 101 -4.038 8.200 4.631 828 HG12 ILE 101 HG12 ILE 101 -3.600 10.209 2.375 829 HG13 ILE 101 HG13 ILE 101 -2.498 8.924 2.870 830 HG21 ILE 101 HG21 ILE 101 -6.178 8.689 3.596 831 HG22 ILE 101 HG22 ILE 101 -6.091 9.473 5.158 832 HG23 ILE 101 HG23 ILE 101 -5.864 10.429 3.671 833 HD11 ILE 101 HD11 ILE 101 -3.585 8.187 0.903 834 HD12 ILE 101 HD12 ILE 101 -4.269 7.245 2.241 835 HD13 ILE 101 HD13 ILE 101 -5.191 8.592 1.520 836 H SER 102 H SER 102 -4.846 12.166 5.434 837 HA SER 102 HA SER 102 -5.961 11.195 8.000 838 HB2 SER 102 HB2 SER 102 -5.137 14.092 7.614 839 HB3 SER 102 HB3 SER 102 -5.881 13.350 9.044 840 HG SER 102 HG SER 102 -3.909 13.122 9.662 841 H ASN 103 H ASN 103 -6.247 13.185 5.079 842 HA ASN 103 HA ASN 103 -9.202 13.039 5.271 843 HB2 ASN 103 HB2 ASN 103 -9.342 15.188 4.147 844 HB3 ASN 103 HB3 ASN 103 -8.663 15.301 5.762 845 HD21 ASN 103 HD21 ASN 103 -8.272 16.591 2.659 846 HD22 ASN 103 HD22 ASN 103 -6.588 16.971 2.777 847 HA PRO 104 HA PRO 104 -8.320 11.254 1.158 848 HB2 PRO 104 HB2 PRO 104 -10.234 9.362 1.332 849 HB3 PRO 104 HB3 PRO 104 -8.549 9.045 1.867 850 HG2 PRO 104 HG2 PRO 104 -10.958 9.753 3.559 851 HG3 PRO 104 HG3 PRO 104 -9.711 8.509 3.874 852 HD2 PRO 104 HD2 PRO 104 -9.659 11.029 5.010 853 HD3 PRO 104 HD3 PRO 104 -8.193 10.092 4.661 Start of MODEL 15 1 H1 GLY -2 H GLY -2 21.003 3.925 9.643 2 HA2 GLY -2 HA2 GLY -2 19.203 3.660 7.945 3 HA3 GLY -2 HA3 GLY -2 20.824 3.777 7.244 4 H HIS -1 H HIS -1 18.454 1.301 8.461 5 HA HIS -1 HA HIS -1 18.776 -0.204 6.028 6 HB2 HIS -1 HB2 HIS -1 19.083 -2.368 7.370 7 HB3 HIS -1 HB3 HIS -1 20.503 -1.367 7.134 8 HD1 HIS -1 HD1 HIS -1 21.529 -0.202 9.319 9 HD2 HIS -1 HD2 HIS -1 18.314 -2.860 9.879 10 HE1 HIS -1 HE1 HIS -1 21.494 -0.775 11.805 11 H MET 1 H MET 1 16.996 -1.822 5.914 12 HA MET 1 HA MET 1 14.937 -1.520 7.984 13 HB2 MET 1 HB2 MET 1 14.212 0.081 6.015 14 HB3 MET 1 HB3 MET 1 14.192 -1.382 5.040 15 HG2 MET 1 HG2 MET 1 11.968 -0.626 6.102 16 HG3 MET 1 HG3 MET 1 12.416 -2.325 6.255 17 HE1 MET 1 HE1 MET 1 10.031 -1.579 8.101 18 HE2 MET 1 HE2 MET 1 10.934 -3.091 7.834 19 HE3 MET 1 HE3 MET 1 10.665 -2.504 9.481 20 H ILE 2 H ILE 2 13.864 -3.425 8.345 21 HA ILE 2 HA ILE 2 14.327 -5.689 6.468 22 HB ILE 2 HB ILE 2 14.489 -5.921 9.479 23 HG12 ILE 2 HG12 ILE 2 16.765 -5.556 7.468 24 HG13 ILE 2 HG13 ILE 2 16.374 -4.492 8.813 25 HG21 ILE 2 HG21 ILE 2 15.269 -7.805 7.235 26 HG22 ILE 2 HG22 ILE 2 15.428 -8.145 8.975 27 HG23 ILE 2 HG23 ILE 2 13.840 -7.941 8.277 28 HD11 ILE 2 HD11 ILE 2 17.500 -7.263 8.984 29 HD12 ILE 2 HD12 ILE 2 18.237 -5.733 9.500 30 HD13 ILE 2 HD13 ILE 2 16.826 -6.380 10.383 31 H ASN 3 H ASN 3 12.723 -7.143 6.360 32 HA ASN 3 HA ASN 3 10.663 -7.701 5.982 33 HB2 ASN 3 HB2 ASN 3 11.458 -8.719 8.233 34 HB3 ASN 3 HB3 ASN 3 10.176 -7.761 8.947 35 HD21 ASN 3 HD21 ASN 3 10.734 -10.780 7.914 36 HD22 ASN 3 HD22 ASN 3 9.129 -11.255 7.374 37 H MET 4 H MET 4 10.247 -5.506 5.076 38 HA MET 4 HA MET 4 8.038 -4.105 6.546 39 HB2 MET 4 HB2 MET 4 10.251 -2.999 5.577 40 HB3 MET 4 HB3 MET 4 9.342 -3.052 4.074 41 HG2 MET 4 HG2 MET 4 7.609 -1.622 5.083 42 HG3 MET 4 HG3 MET 4 8.539 -1.588 6.596 43 HE1 MET 4 HE1 MET 4 8.095 1.061 6.036 44 HE2 MET 4 HE2 MET 4 9.716 1.088 6.766 45 HE3 MET 4 HE3 MET 4 9.402 1.992 5.268 46 H LYS 5 H LYS 5 6.137 -3.790 5.428 47 HA LYS 5 HA LYS 5 5.707 -5.254 2.826 48 HB2 LYS 5 HB2 LYS 5 4.205 -5.609 5.442 49 HB3 LYS 5 HB3 LYS 5 3.343 -5.686 3.890 50 HG2 LYS 5 HG2 LYS 5 4.731 -7.545 3.180 51 HG3 LYS 5 HG3 LYS 5 5.605 -7.480 4.735 52 HD2 LYS 5 HD2 LYS 5 3.474 -7.782 5.970 53 HD3 LYS 5 HD3 LYS 5 2.575 -7.851 4.445 54 HE2 LYS 5 HE2 LYS 5 4.839 -9.686 5.209 55 HE3 LYS 5 HE3 LYS 5 3.129 -10.082 5.517 56 HZ1 LYS 5 HZ1 LYS 5 2.721 -9.940 3.162 57 HZ2 LYS 5 HZ2 LYS 5 3.932 -11.054 3.439 58 HZ3 LYS 5 HZ3 LYS 5 4.279 -9.565 2.846 59 H VAL 6 H VAL 6 4.654 -3.955 1.351 60 HA VAL 6 HA VAL 6 2.687 -2.130 2.490 61 HB VAL 6 HB VAL 6 4.978 -1.287 0.704 62 HG11 VAL 6 HG11 VAL 6 2.415 0.312 1.086 63 HG12 VAL 6 HG12 VAL 6 3.886 0.771 0.193 64 HG13 VAL 6 HG13 VAL 6 2.886 -0.538 -0.407 65 HG21 VAL 6 HG21 VAL 6 5.423 -0.880 2.959 66 HG22 VAL 6 HG22 VAL 6 4.812 0.664 2.306 67 HG23 VAL 6 HG23 VAL 6 3.769 -0.352 3.298 68 H ALA 7 H ALA 7 0.867 -1.867 1.227 69 HA ALA 7 HA ALA 7 0.666 -3.807 -1.050 70 HB1 ALA 7 HB1 ALA 7 -1.395 -3.171 1.098 71 HB2 ALA 7 HB2 ALA 7 -1.615 -4.275 -0.249 72 HB3 ALA 7 HB3 ALA 7 -0.410 -4.640 0.991 73 H ILE 8 H ILE 8 1.225 -2.107 -2.516 74 HA ILE 8 HA ILE 8 0.111 0.538 -2.302 75 HB ILE 8 HB ILE 8 1.521 -0.764 -4.682 76 HG12 ILE 8 HG12 ILE 8 2.751 0.861 -2.428 77 HG13 ILE 8 HG13 ILE 8 2.788 -0.912 -2.489 78 HG21 ILE 8 HG21 ILE 8 2.167 1.609 -5.243 79 HG22 ILE 8 HG22 ILE 8 0.447 1.372 -5.310 80 HG23 ILE 8 HG23 ILE 8 1.171 2.177 -3.900 81 HD11 ILE 8 HD11 ILE 8 4.118 -1.002 -4.416 82 HD12 ILE 8 HD12 ILE 8 4.001 0.738 -4.664 83 HD13 ILE 8 HD13 ILE 8 4.834 0.159 -3.244 84 H SER 9 H SER 9 -1.421 1.564 -3.550 85 HA SER 9 HA SER 9 -3.443 -0.238 -4.800 86 HB2 SER 9 HB2 SER 9 -4.546 2.020 -5.369 87 HB3 SER 9 HB3 SER 9 -4.472 1.502 -3.680 88 HG SER 9 HG SER 9 -3.657 3.763 -4.616 89 H MET 10 H MET 10 -3.160 -1.067 -6.866 90 HA MET 10 HA MET 10 -2.013 0.780 -8.923 91 HB2 MET 10 HB2 MET 10 -1.778 -2.239 -8.861 92 HB3 MET 10 HB3 MET 10 -1.129 -1.148 -10.095 93 HG2 MET 10 HG2 MET 10 0.051 -0.104 -7.869 94 HG3 MET 10 HG3 MET 10 -0.194 -1.746 -7.315 95 HE1 MET 10 HE1 MET 10 2.460 -0.871 -11.063 96 HE2 MET 10 HE2 MET 10 0.692 -0.871 -11.156 97 HE3 MET 10 HE3 MET 10 1.523 0.415 -10.285 98 H ASP 11 H ASP 11 -2.977 0.802 -10.912 99 HA ASP 11 HA ASP 11 -5.668 -0.446 -11.200 100 HB2 ASP 11 HB2 ASP 11 -4.876 2.106 -11.726 101 HB3 ASP 11 HB3 ASP 11 -4.457 1.432 -13.255 102 H VAL 12 H VAL 12 -3.045 0.167 -13.507 103 HA VAL 12 HA VAL 12 -3.156 -2.627 -14.488 104 HB VAL 12 HB VAL 12 -3.944 -0.024 -15.913 105 HG11 VAL 12 HG11 VAL 12 -2.384 -1.174 -17.467 106 HG12 VAL 12 HG12 VAL 12 -3.387 -2.625 -17.370 107 HG13 VAL 12 HG13 VAL 12 -4.037 -1.118 -18.067 108 HG21 VAL 12 HG21 VAL 12 -5.796 -1.301 -14.880 109 HG22 VAL 12 HG22 VAL 12 -5.933 -1.363 -16.627 110 HG23 VAL 12 HG23 VAL 12 -5.292 -2.766 -15.735 111 H ASP 13 H ASP 13 -1.682 0.658 -14.849 112 HA ASP 13 HA ASP 13 0.932 -0.707 -14.869 113 HB2 ASP 13 HB2 ASP 13 -0.350 0.262 -17.200 114 HB3 ASP 13 HB3 ASP 13 0.829 1.497 -16.801 115 H LYS 14 H LYS 14 -0.810 1.410 -13.199 116 HA LYS 14 HA LYS 14 1.387 2.898 -12.109 117 HB2 LYS 14 HB2 LYS 14 0.306 5.141 -12.551 118 HB3 LYS 14 HB3 LYS 14 1.067 4.411 -13.932 119 HG2 LYS 14 HG2 LYS 14 -1.856 3.780 -13.589 120 HG3 LYS 14 HG3 LYS 14 -1.515 5.458 -13.843 121 HD2 LYS 14 HD2 LYS 14 -0.749 3.153 -15.685 122 HD3 LYS 14 HD3 LYS 14 -1.996 4.378 -15.921 123 HE2 LYS 14 HE2 LYS 14 -0.280 6.138 -16.076 124 HE3 LYS 14 HE3 LYS 14 0.994 4.916 -15.908 125 HZ1 LYS 14 HZ1 LYS 14 0.200 3.878 -17.945 126 HZ2 LYS 14 HZ2 LYS 14 0.554 5.437 -18.237 127 HZ3 LYS 14 HZ3 LYS 14 -1.022 4.918 -18.069 128 H ILE 15 H ILE 15 0.235 4.606 -10.506 129 HA ILE 15 HA ILE 15 -1.563 3.201 -8.767 130 HB ILE 15 HB ILE 15 -0.823 6.157 -8.958 131 HG12 ILE 15 HG12 ILE 15 0.156 3.859 -7.200 132 HG13 ILE 15 HG13 ILE 15 1.067 4.663 -8.486 133 HG21 ILE 15 HG21 ILE 15 -2.982 5.917 -7.766 134 HG22 ILE 15 HG22 ILE 15 -2.264 4.678 -6.703 135 HG23 ILE 15 HG23 ILE 15 -1.709 6.366 -6.649 136 HD11 ILE 15 HD11 ILE 15 1.014 6.778 -7.161 137 HD12 ILE 15 HD12 ILE 15 0.334 5.818 -5.812 138 HD13 ILE 15 HD13 ILE 15 1.930 5.427 -6.460 139 H SER 16 H SER 16 -3.742 3.299 -8.614 140 HA SER 16 HA SER 16 -5.358 3.990 -10.903 141 HB2 SER 16 HB2 SER 16 -7.151 3.094 -9.354 142 HB3 SER 16 HB3 SER 16 -5.798 2.019 -9.558 143 HG SER 16 HG SER 16 -6.726 2.790 -7.343 144 H ASN 17 H ASN 17 -6.036 4.900 -7.632 145 HA ASN 17 HA ASN 17 -6.159 7.747 -7.746 146 HB2 ASN 17 HB2 ASN 17 -7.758 7.704 -9.440 147 HB3 ASN 17 HB3 ASN 17 -8.550 6.240 -8.808 148 HD21 ASN 17 HD21 ASN 17 -10.571 7.269 -8.950 149 HD22 ASN 17 HD22 ASN 17 -11.081 8.474 -7.764 150 H SER 18 H SER 18 -8.069 4.807 -6.678 151 HA SER 18 HA SER 18 -7.667 5.837 -3.889 152 HB2 SER 18 HB2 SER 18 -9.862 6.571 -4.636 153 HB3 SER 18 HB3 SER 18 -10.348 4.942 -4.949 154 HG SER 18 HG SER 18 -11.060 5.793 -2.983 155 H PHE 19 H PHE 19 -8.622 3.991 -2.399 156 HA PHE 19 HA PHE 19 -7.142 1.478 -2.980 157 HB2 PHE 19 HB2 PHE 19 -7.091 2.589 -0.705 158 HB3 PHE 19 HB3 PHE 19 -8.810 2.378 -0.588 159 HD1 PHE 19 HD2 PHE 19 -9.832 0.098 -0.356 160 HD2 PHE 19 HD1 PHE 19 -5.551 0.672 -0.390 161 HE1 PHE 19 HE2 PHE 19 -9.519 -2.109 0.707 162 HE2 PHE 19 HE1 PHE 19 -5.255 -1.564 0.619 163 HZ PHE 19 HZ PHE 19 -7.222 -2.926 1.251 164 H GLU 20 H GLU 20 -10.471 2.762 -2.412 165 HA GLU 20 HA GLU 20 -11.697 0.209 -2.984 166 HB2 GLU 20 HB2 GLU 20 -12.574 2.685 -1.869 167 HB3 GLU 20 HB3 GLU 20 -13.429 2.538 -3.385 168 HG2 GLU 20 HG2 GLU 20 -13.854 0.044 -2.582 169 HG3 GLU 20 HG3 GLU 20 -13.561 0.756 -1.006 170 H ASP 21 H ASP 21 -10.366 2.712 -4.854 171 HA ASP 21 HA ASP 21 -11.305 1.412 -7.342 172 HB2 ASP 21 HB2 ASP 21 -12.376 3.622 -7.306 173 HB3 ASP 21 HB3 ASP 21 -10.800 4.395 -7.090 174 H CYS 22 H CYS 22 -9.526 0.146 -6.531 175 HA CYS 22 HA CYS 22 -7.461 0.776 -8.429 176 HB2 CYS 22 HB2 CYS 22 -5.632 -0.191 -7.161 177 HB3 CYS 22 HB3 CYS 22 -6.315 1.135 -6.222 178 HG CYS 22 HG CYS 22 -7.070 -2.065 -5.855 179 H LYS 23 H LYS 23 -6.452 -1.403 -9.124 180 HA LYS 23 HA LYS 23 -8.675 -3.374 -9.426 181 HB2 LYS 23 HB2 LYS 23 -6.041 -2.821 -10.786 182 HB3 LYS 23 HB3 LYS 23 -6.841 -4.359 -11.025 183 HG2 LYS 23 HG2 LYS 23 -7.220 -2.663 -12.848 184 HG3 LYS 23 HG3 LYS 23 -8.617 -3.471 -12.201 185 HD2 LYS 23 HD2 LYS 23 -9.297 -1.502 -10.934 186 HD3 LYS 23 HD3 LYS 23 -7.802 -0.668 -11.409 187 HE2 LYS 23 HE2 LYS 23 -8.486 -1.059 -13.831 188 HE3 LYS 23 HE3 LYS 23 -10.048 -1.632 -13.219 189 HZ1 LYS 23 HZ1 LYS 23 -10.268 0.596 -12.173 190 HZ2 LYS 23 HZ2 LYS 23 -10.172 0.636 -13.824 191 HZ3 LYS 23 HZ3 LYS 23 -8.848 1.032 -12.908 192 H TYR 24 H TYR 24 -5.285 -2.968 -8.209 193 HA TYR 24 HA TYR 24 -5.658 -5.338 -6.580 194 HB2 TYR 24 HB2 TYR 24 -3.854 -6.595 -7.501 195 HB3 TYR 24 HB3 TYR 24 -4.924 -6.185 -8.820 196 HD1 TYR 24 HD2 TYR 24 -1.616 -5.666 -7.317 197 HD2 TYR 24 HD1 TYR 24 -4.194 -4.782 -10.634 198 HE1 TYR 24 HE2 TYR 24 0.316 -4.785 -8.567 199 HE2 TYR 24 HE1 TYR 24 -2.237 -3.917 -11.966 200 HH TYR 24 HH TYR 24 0.235 -3.420 -11.814 201 H PHE 25 H PHE 25 -3.674 -5.758 -5.351 202 HA PHE 25 HA PHE 25 -2.527 -3.277 -4.281 203 HB2 PHE 25 HB2 PHE 25 -3.141 -5.902 -2.891 204 HB3 PHE 25 HB3 PHE 25 -2.536 -4.423 -2.159 205 HD1 PHE 25 HD1 PHE 25 -4.007 -2.253 -2.729 206 HD2 PHE 25 HD2 PHE 25 -5.439 -6.318 -2.748 207 HE1 PHE 25 HE1 PHE 25 -6.354 -1.442 -2.411 208 HE2 PHE 25 HE2 PHE 25 -7.752 -5.508 -2.372 209 HZ PHE 25 HZ PHE 25 -8.216 -3.052 -2.230 210 H LEU 26 H LEU 26 -0.471 -3.166 -4.972 211 HA LEU 26 HA LEU 26 1.013 -5.616 -5.610 212 HB2 LEU 26 HB2 LEU 26 1.204 -3.481 -6.928 213 HB3 LEU 26 HB3 LEU 26 2.060 -2.764 -5.577 214 HG LEU 26 HG LEU 26 3.575 -3.455 -7.261 215 HD11 LEU 26 HD11 LEU 26 5.145 -4.630 -6.098 216 HD12 LEU 26 HD12 LEU 26 3.960 -5.603 -5.183 217 HD13 LEU 26 HD13 LEU 26 4.190 -3.860 -4.836 218 HD21 LEU 26 HD21 LEU 26 2.574 -5.081 -8.579 219 HD22 LEU 26 HD22 LEU 26 2.171 -6.136 -7.250 220 HD23 LEU 26 HD23 LEU 26 3.849 -6.016 -7.775 221 H ILE 27 H ILE 27 1.593 -6.806 -3.864 222 HA ILE 27 HA ILE 27 2.106 -5.519 -1.314 223 HB ILE 27 HB ILE 27 2.541 -8.444 -1.748 224 HG12 ILE 27 HG12 ILE 27 0.293 -8.047 -2.659 225 HG13 ILE 27 HG13 ILE 27 0.293 -8.971 -1.167 226 HG21 ILE 27 HG21 ILE 27 2.252 -8.590 0.531 227 HG22 ILE 27 HG22 ILE 27 3.252 -7.141 0.335 228 HG23 ILE 27 HG23 ILE 27 1.545 -6.969 0.696 229 HD11 ILE 27 HD11 ILE 27 -1.521 -7.183 -1.408 230 HD12 ILE 27 HD12 ILE 27 -0.612 -7.167 0.106 231 HD13 ILE 27 HD13 ILE 27 -0.244 -5.985 -1.191 232 H VAL 28 H VAL 28 3.952 -4.312 -1.601 233 HA VAL 28 HA VAL 28 6.457 -5.269 -2.651 234 HB VAL 28 HB VAL 28 6.088 -3.051 -0.582 235 HG11 VAL 28 HG11 VAL 28 8.436 -3.792 -1.198 236 HG12 VAL 28 HG12 VAL 28 8.067 -3.439 -2.902 237 HG13 VAL 28 HG13 VAL 28 8.097 -2.130 -1.723 238 HG21 VAL 28 HG21 VAL 28 5.938 -1.466 -2.394 239 HG22 VAL 28 HG22 VAL 28 5.822 -2.766 -3.597 240 HG23 VAL 28 HG23 VAL 28 4.527 -2.525 -2.394 241 H ARG 29 H ARG 29 7.769 -6.626 -1.674 242 HA ARG 29 HA ARG 29 7.735 -7.070 1.284 243 HB2 ARG 29 HB2 ARG 29 7.391 -9.097 -0.344 244 HB3 ARG 29 HB3 ARG 29 8.997 -8.796 -0.899 245 HG2 ARG 29 HG2 ARG 29 9.548 -10.339 0.648 246 HG3 ARG 29 HG3 ARG 29 9.513 -8.991 1.792 247 HD2 ARG 29 HD2 ARG 29 7.222 -9.592 2.456 248 HD3 ARG 29 HD3 ARG 29 7.112 -10.763 1.140 249 HE ARG 29 HE ARG 29 8.894 -12.075 2.212 250 HH11 ARG 29 HH11 ARG 29 7.427 -9.811 4.464 251 HH12 ARG 29 HH12 ARG 29 7.341 -10.951 5.773 252 HH21 ARG 29 HH21 ARG 29 9.179 -13.358 3.956 253 HH22 ARG 29 HH22 ARG 29 8.630 -12.917 5.544 254 H ILE 30 H ILE 30 9.262 -5.595 2.049 255 HA ILE 30 HA ILE 30 11.806 -5.363 0.516 256 HB ILE 30 HB ILE 30 10.840 -3.535 2.750 257 HG12 ILE 30 HG12 ILE 30 11.074 -1.805 0.625 258 HG13 ILE 30 HG13 ILE 30 10.476 -3.222 -0.216 259 HG21 ILE 30 HG21 ILE 30 13.358 -3.806 2.385 260 HG22 ILE 30 HG22 ILE 30 13.084 -2.985 0.847 261 HG23 ILE 30 HG23 ILE 30 12.715 -2.163 2.377 262 HD11 ILE 30 HD11 ILE 30 8.490 -3.216 1.344 263 HD12 ILE 30 HD12 ILE 30 9.190 -1.789 2.157 264 HD13 ILE 30 HD13 ILE 30 8.684 -1.671 0.478 265 H ASP 31 H ASP 31 13.534 -6.198 1.692 266 HA ASP 31 HA ASP 31 13.079 -6.830 4.564 267 HB2 ASP 31 HB2 ASP 31 12.617 -8.939 3.256 268 HB3 ASP 31 HB3 ASP 31 14.303 -8.908 2.731 269 H ASP 32 H ASP 32 14.852 -5.185 2.350 270 HA ASP 32 HA ASP 32 17.176 -5.092 4.067 271 HB2 ASP 32 HB2 ASP 32 17.185 -7.234 2.443 272 HB3 ASP 32 HB3 ASP 32 17.646 -6.087 1.212 273 H ASN 33 H ASN 33 15.586 -3.135 3.597 274 HA ASN 33 HA ASN 33 14.976 -1.170 2.654 275 HB2 ASN 33 HB2 ASN 33 17.689 -0.978 3.048 276 HB3 ASN 33 HB3 ASN 33 17.556 -0.542 1.359 277 HD21 ASN 33 HD21 ASN 33 15.998 0.057 4.562 278 HD22 ASN 33 HD22 ASN 33 15.935 1.789 4.376 279 H GLU 34 H GLU 34 15.974 -3.597 0.421 280 HA GLU 34 HA GLU 34 14.612 -2.082 -1.750 281 HB2 GLU 34 HB2 GLU 34 16.036 -3.113 -3.350 282 HB3 GLU 34 HB3 GLU 34 17.094 -2.429 -2.114 283 HG2 GLU 34 HG2 GLU 34 17.453 -4.643 -1.118 284 HG3 GLU 34 HG3 GLU 34 16.225 -5.354 -2.151 285 H VAL 35 H VAL 35 13.631 -3.306 -3.356 286 HA VAL 35 HA VAL 35 11.617 -5.002 -2.742 287 HB VAL 35 HB VAL 35 11.722 -3.794 -4.783 288 HG11 VAL 35 HG11 VAL 35 14.118 -5.454 -5.703 289 HG12 VAL 35 HG12 VAL 35 13.260 -4.202 -6.627 290 HG13 VAL 35 HG13 VAL 35 14.193 -3.759 -5.210 291 HG21 VAL 35 HG21 VAL 35 10.513 -5.970 -4.937 292 HG22 VAL 35 HG22 VAL 35 11.134 -5.396 -6.481 293 HG23 VAL 35 HG23 VAL 35 11.974 -6.695 -5.611 294 H LYS 36 H LYS 36 11.448 -7.053 -2.060 295 HA LYS 36 HA LYS 36 13.551 -9.024 -2.793 296 HB2 LYS 36 HB2 LYS 36 11.140 -9.205 -0.977 297 HB3 LYS 36 HB3 LYS 36 12.242 -10.545 -1.301 298 HG2 LYS 36 HG2 LYS 36 13.059 -7.834 -0.136 299 HG3 LYS 36 HG3 LYS 36 12.638 -9.231 0.831 300 HD2 LYS 36 HD2 LYS 36 14.567 -10.333 0.412 301 HD3 LYS 36 HD3 LYS 36 14.716 -9.780 -1.236 302 HE2 LYS 36 HE2 LYS 36 15.114 -7.814 0.998 303 HE3 LYS 36 HE3 LYS 36 16.397 -8.971 0.597 304 HZ1 LYS 36 HZ1 LYS 36 16.918 -7.196 -0.687 305 HZ2 LYS 36 HZ2 LYS 36 15.365 -6.826 -1.136 306 HZ3 LYS 36 HZ3 LYS 36 16.172 -8.135 -1.751 307 H SER 37 H SER 37 10.072 -9.796 -2.853 308 HA SER 37 HA SER 37 10.492 -10.481 -5.711 309 HB2 SER 37 HB2 SER 37 10.060 -12.113 -3.606 310 HB3 SER 37 HB3 SER 37 8.392 -11.806 -4.056 311 HG SER 37 HG SER 37 9.551 -13.636 -5.036 312 H THR 38 H THR 38 8.830 -8.090 -4.159 313 HA THR 38 HA THR 38 6.763 -7.184 -4.166 314 HB THR 38 HB THR 38 5.672 -6.968 -6.498 315 HG1 THR 38 HG1 THR 38 7.424 -8.753 -7.178 316 HG21 THR 38 HG21 THR 38 7.145 -5.257 -5.351 317 HG22 THR 38 HG22 THR 38 7.199 -5.223 -7.118 318 HG23 THR 38 HG23 THR 38 8.533 -5.962 -6.209 319 H LYS 39 H LYS 39 4.257 -7.830 -5.350 320 HA LYS 39 HA LYS 39 3.648 -10.452 -5.712 321 HB2 LYS 39 HB2 LYS 39 3.660 -9.811 -2.870 322 HB3 LYS 39 HB3 LYS 39 2.000 -9.931 -3.377 323 HG2 LYS 39 HG2 LYS 39 2.184 -12.051 -2.897 324 HG3 LYS 39 HG3 LYS 39 2.886 -12.244 -4.501 325 HD2 LYS 39 HD2 LYS 39 4.749 -11.479 -2.302 326 HD3 LYS 39 HD3 LYS 39 4.011 -13.039 -2.091 327 HE2 LYS 39 HE2 LYS 39 5.411 -12.304 -4.704 328 HE3 LYS 39 HE3 LYS 39 6.298 -12.938 -3.311 329 HZ1 LYS 39 HZ1 LYS 39 5.750 -14.738 -4.730 330 HZ2 LYS 39 HZ2 LYS 39 4.157 -14.373 -4.734 331 HZ3 LYS 39 HZ3 LYS 39 4.870 -14.879 -3.340 332 H VAL 40 H VAL 40 1.148 -10.640 -5.913 333 HA VAL 40 HA VAL 40 -0.147 -7.972 -6.161 334 HB VAL 40 HB VAL 40 0.014 -10.237 -8.188 335 HG11 VAL 40 HG11 VAL 40 -1.989 -7.949 -8.120 336 HG12 VAL 40 HG12 VAL 40 -1.645 -8.925 -9.557 337 HG13 VAL 40 HG13 VAL 40 -2.338 -9.691 -8.127 338 HG21 VAL 40 HG21 VAL 40 0.546 -7.250 -8.415 339 HG22 VAL 40 HG22 VAL 40 1.783 -8.519 -8.355 340 HG23 VAL 40 HG23 VAL 40 0.676 -8.427 -9.729 341 H ILE 41 H ILE 41 -2.060 -7.956 -5.106 342 HA ILE 41 HA ILE 41 -3.609 -10.468 -4.776 343 HB ILE 41 HB ILE 41 -3.219 -8.200 -2.760 344 HG12 ILE 41 HG12 ILE 41 -2.559 -11.171 -2.583 345 HG13 ILE 41 HG13 ILE 41 -1.399 -9.840 -2.672 346 HG21 ILE 41 HG21 ILE 41 -5.000 -10.640 -2.509 347 HG22 ILE 41 HG22 ILE 41 -4.854 -9.295 -1.354 348 HG23 ILE 41 HG23 ILE 41 -5.596 -9.005 -2.912 349 HD11 ILE 41 HD11 ILE 41 -3.212 -10.596 -0.368 350 HD12 ILE 41 HD12 ILE 41 -1.455 -10.361 -0.369 351 HD13 ILE 41 HD13 ILE 41 -2.551 -8.962 -0.504 352 H PHE 42 H PHE 42 -5.518 -10.118 -5.955 353 HA PHE 42 HA PHE 42 -5.942 -7.473 -7.106 354 HB2 PHE 42 HB2 PHE 42 -7.012 -10.213 -7.477 355 HB3 PHE 42 HB3 PHE 42 -8.248 -8.977 -7.560 356 HD1 PHE 42 HD2 PHE 42 -4.610 -8.899 -8.684 357 HD2 PHE 42 HD1 PHE 42 -8.782 -8.614 -9.792 358 HE1 PHE 42 HE2 PHE 42 -3.961 -8.103 -10.925 359 HE2 PHE 42 HE1 PHE 42 -8.125 -7.839 -12.021 360 HZ PHE 42 HZ PHE 42 -5.698 -7.534 -12.593 361 H ASN 43 H ASN 43 -7.944 -6.256 -6.860 362 HA ASN 43 HA ASN 43 -8.883 -6.108 -4.058 363 HB2 ASN 43 HB2 ASN 43 -8.234 -4.028 -5.051 364 HB3 ASN 43 HB3 ASN 43 -9.174 -4.352 -6.506 365 HD21 ASN 43 HD21 ASN 43 -10.388 -2.498 -6.423 366 HD22 ASN 43 HD22 ASN 43 -11.708 -2.279 -5.322 367 H ASP 44 H ASP 44 -9.726 -8.480 -4.549 368 HA ASP 44 HA ASP 44 -12.450 -8.299 -5.780 369 HB2 ASP 44 HB2 ASP 44 -12.151 -10.298 -6.782 370 HB3 ASP 44 HB3 ASP 44 -10.755 -9.325 -7.233 371 H GLU 45 H GLU 45 -11.724 -8.120 -3.156 372 HA GLU 45 HA GLU 45 -12.535 -8.561 -1.025 373 HB2 GLU 45 HB2 GLU 45 -14.693 -8.775 -2.202 374 HB3 GLU 45 HB3 GLU 45 -14.396 -10.478 -2.469 375 HG2 GLU 45 HG2 GLU 45 -15.908 -10.348 -0.669 376 HG3 GLU 45 HG3 GLU 45 -14.372 -10.870 0.003 377 H SER 46 H SER 46 -12.222 -11.662 -2.789 378 HA SER 46 HA SER 46 -11.223 -13.276 -0.666 379 HB2 SER 46 HB2 SER 46 -12.024 -13.970 -3.005 380 HB3 SER 46 HB3 SER 46 -10.463 -13.379 -3.618 381 HG SER 46 HG SER 46 -10.372 -15.601 -3.180 382 H GLY 47 H GLY 47 -9.632 -11.062 -2.990 383 HA2 GLY 47 HA2 GLY 47 -7.011 -11.251 -2.236 384 HA3 GLY 47 HA3 GLY 47 -7.806 -9.806 -2.805 385 H LYS 48 H LYS 48 -9.417 -8.925 -0.979 386 HA LYS 48 HA LYS 48 -7.674 -7.669 0.910 387 HB2 LYS 48 HB2 LYS 48 -10.710 -7.829 0.703 388 HB3 LYS 48 HB3 LYS 48 -9.888 -6.860 1.937 389 HG2 LYS 48 HG2 LYS 48 -8.822 -5.462 0.269 390 HG3 LYS 48 HG3 LYS 48 -9.342 -6.533 -1.036 391 HD2 LYS 48 HD2 LYS 48 -10.715 -4.628 -1.115 392 HD3 LYS 48 HD3 LYS 48 -11.704 -5.989 -0.571 393 HE2 LYS 48 HE2 LYS 48 -11.647 -5.160 1.736 394 HE3 LYS 48 HE3 LYS 48 -10.489 -3.891 1.287 395 HZ1 LYS 48 HZ1 LYS 48 -12.727 -2.957 1.346 396 HZ2 LYS 48 HZ2 LYS 48 -13.270 -4.120 0.309 397 HZ3 LYS 48 HZ3 LYS 48 -12.229 -3.007 -0.223 398 H LYS 49 H LYS 49 -9.797 -10.495 1.203 399 HA LYS 49 HA LYS 49 -9.710 -10.942 3.973 400 HB2 LYS 49 HB2 LYS 49 -10.023 -12.605 1.525 401 HB3 LYS 49 HB3 LYS 49 -9.368 -13.480 2.897 402 HG2 LYS 49 HG2 LYS 49 -11.305 -12.806 4.272 403 HG3 LYS 49 HG3 LYS 49 -11.989 -11.929 2.878 404 HD2 LYS 49 HD2 LYS 49 -12.080 -13.977 1.564 405 HD3 LYS 49 HD3 LYS 49 -11.255 -14.898 2.823 406 HE2 LYS 49 HE2 LYS 49 -14.032 -13.693 3.019 407 HE3 LYS 49 HE3 LYS 49 -13.643 -15.397 2.749 408 HZ1 LYS 49 HZ1 LYS 49 -14.101 -15.177 4.997 409 HZ2 LYS 49 HZ2 LYS 49 -13.223 -13.806 5.151 410 HZ3 LYS 49 HZ3 LYS 49 -12.471 -15.290 4.959 411 H SER 50 H SER 50 -7.176 -11.688 1.530 412 HA SER 50 HA SER 50 -5.441 -13.042 3.389 413 HB2 SER 50 HB2 SER 50 -4.908 -11.713 0.690 414 HB3 SER 50 HB3 SER 50 -3.775 -12.752 1.567 415 HG SER 50 HG SER 50 -4.958 -13.938 0.028 416 H ILE 51 H ILE 51 -5.606 -9.673 2.242 417 HA ILE 51 HA ILE 51 -3.229 -8.736 3.380 418 HB ILE 51 HB ILE 51 -5.894 -7.263 2.952 419 HG12 ILE 51 HG12 ILE 51 -3.485 -7.674 1.130 420 HG13 ILE 51 HG13 ILE 51 -5.079 -8.383 0.905 421 HG21 ILE 51 HG21 ILE 51 -4.258 -5.988 4.391 422 HG22 ILE 51 HG22 ILE 51 -3.111 -6.109 3.030 423 HG23 ILE 51 HG23 ILE 51 -4.623 -5.196 2.861 424 HD11 ILE 51 HD11 ILE 51 -4.348 -5.458 0.608 425 HD12 ILE 51 HD12 ILE 51 -4.849 -6.623 -0.616 426 HD13 ILE 51 HD13 ILE 51 -6.023 -6.076 0.602 427 H VAL 52 H VAL 52 -6.462 -9.112 4.893 428 HA VAL 52 HA VAL 52 -5.981 -7.736 7.274 429 HB VAL 52 HB VAL 52 -7.536 -10.344 7.083 430 HG11 VAL 52 HG11 VAL 52 -8.961 -9.208 8.855 431 HG12 VAL 52 HG12 VAL 52 -7.325 -9.622 9.372 432 HG13 VAL 52 HG13 VAL 52 -7.732 -7.946 8.944 433 HG21 VAL 52 HG21 VAL 52 -8.286 -7.608 6.086 434 HG22 VAL 52 HG22 VAL 52 -8.538 -9.206 5.362 435 HG23 VAL 52 HG23 VAL 52 -9.541 -8.708 6.708 436 H LYS 53 H LYS 53 -5.046 -11.077 6.423 437 HA LYS 53 HA LYS 53 -3.984 -11.660 9.101 438 HB2 LYS 53 HB2 LYS 53 -3.925 -13.107 6.408 439 HB3 LYS 53 HB3 LYS 53 -2.896 -13.600 7.747 440 HG2 LYS 53 HG2 LYS 53 -4.774 -14.987 7.853 441 HG3 LYS 53 HG3 LYS 53 -4.891 -13.863 9.203 442 HD2 LYS 53 HD2 LYS 53 -6.531 -12.507 7.787 443 HD3 LYS 53 HD3 LYS 53 -6.474 -13.808 6.589 444 HE2 LYS 53 HE2 LYS 53 -7.275 -14.064 9.527 445 HE3 LYS 53 HE3 LYS 53 -8.410 -13.878 8.194 446 HZ1 LYS 53 HZ1 LYS 53 -8.186 -16.177 8.819 447 HZ2 LYS 53 HZ2 LYS 53 -6.575 -16.158 8.542 448 HZ3 LYS 53 HZ3 LYS 53 -7.641 -15.964 7.282 449 H GLU 54 H GLU 54 -2.764 -10.343 5.990 450 HA GLU 54 HA GLU 54 -0.208 -11.389 6.475 451 HB2 GLU 54 HB2 GLU 54 0.365 -10.704 4.482 452 HB3 GLU 54 HB3 GLU 54 -1.353 -10.652 4.206 453 HG2 GLU 54 HG2 GLU 54 -1.337 -8.239 4.282 454 HG3 GLU 54 HG3 GLU 54 0.369 -8.223 4.758 455 H ASN 55 H ASN 55 -1.588 -8.599 7.804 456 HA ASN 55 HA ASN 55 -0.834 -6.718 8.826 457 HB2 ASN 55 HB2 ASN 55 -0.100 -8.433 10.473 458 HB3 ASN 55 HB3 ASN 55 1.510 -8.389 9.757 459 HD21 ASN 55 HD21 ASN 55 0.723 -5.052 9.553 460 HD22 ASN 55 HD22 ASN 55 1.147 -4.627 11.139 461 H VAL 56 H VAL 56 -0.526 -6.412 6.335 462 HA VAL 56 HA VAL 56 1.865 -5.363 5.360 463 HB VAL 56 HB VAL 56 -0.529 -3.561 5.503 464 HG11 VAL 56 HG11 VAL 56 1.305 -4.337 3.200 465 HG12 VAL 56 HG12 VAL 56 0.078 -3.047 3.201 466 HG13 VAL 56 HG13 VAL 56 1.484 -2.910 4.249 467 HG21 VAL 56 HG21 VAL 56 -1.595 -4.612 3.596 468 HG22 VAL 56 HG22 VAL 56 -0.486 -5.993 3.690 469 HG23 VAL 56 HG23 VAL 56 -1.656 -5.676 5.006 470 H ASN 57 H ASN 57 3.140 -3.579 5.845 471 HA ASN 57 HA ASN 57 3.030 -2.493 8.578 472 HB2 ASN 57 HB2 ASN 57 5.223 -3.037 7.649 473 HB3 ASN 57 HB3 ASN 57 4.913 -2.066 6.209 474 HD21 ASN 57 HD21 ASN 57 5.883 -1.879 9.597 475 HD22 ASN 57 HD22 ASN 57 6.219 -0.161 9.453 476 H ALA 58 H ALA 58 2.606 -1.420 5.137 477 HA ALA 58 HA ALA 58 0.806 0.650 6.126 478 HB1 ALA 58 HB1 ALA 58 2.140 2.448 4.938 479 HB2 ALA 58 HB2 ALA 58 2.952 1.770 6.365 480 HB3 ALA 58 HB3 ALA 58 3.438 1.278 4.733 481 H ILE 59 H ILE 59 -0.359 1.800 4.388 482 HA ILE 59 HA ILE 59 -0.103 0.581 1.666 483 HB ILE 59 HB ILE 59 -2.611 1.332 3.231 484 HG12 ILE 59 HG12 ILE 59 -1.698 -1.276 1.983 485 HG13 ILE 59 HG13 ILE 59 -1.429 -0.923 3.656 486 HG21 ILE 59 HG21 ILE 59 -3.809 0.576 1.139 487 HG22 ILE 59 HG22 ILE 59 -2.866 2.045 0.885 488 HG23 ILE 59 HG23 ILE 59 -2.250 0.501 0.308 489 HD11 ILE 59 HD11 ILE 59 -3.791 -0.853 4.161 490 HD12 ILE 59 HD12 ILE 59 -4.190 -1.182 2.461 491 HD13 ILE 59 HD13 ILE 59 -3.334 -2.397 3.420 492 H ILE 60 H ILE 60 0.845 2.086 0.440 493 HA ILE 60 HA ILE 60 0.313 4.947 0.852 494 HB ILE 60 HB ILE 60 1.848 3.777 -1.465 495 HG12 ILE 60 HG12 ILE 60 3.499 4.680 0.868 496 HG13 ILE 60 HG13 ILE 60 2.832 3.060 0.974 497 HG21 ILE 60 HG21 ILE 60 2.061 6.438 0.000 498 HG22 ILE 60 HG22 ILE 60 2.957 5.959 -1.460 499 HG23 ILE 60 HG23 ILE 60 1.203 6.154 -1.524 500 HD11 ILE 60 HD11 ILE 60 4.562 4.108 -1.271 501 HD12 ILE 60 HD12 ILE 60 4.913 2.803 -0.104 502 HD13 ILE 60 HD13 ILE 60 3.688 2.558 -1.319 503 H CYS 61 H CYS 61 -1.466 5.817 -0.236 504 HA CYS 61 HA CYS 61 -2.160 4.790 -2.858 505 HB2 CYS 61 HB2 CYS 61 -4.603 4.769 -2.379 506 HB3 CYS 61 HB3 CYS 61 -3.780 3.514 -1.482 507 HG CYS 61 HG CYS 61 -5.849 5.277 -0.438 508 H LYS 62 H LYS 62 -3.944 6.417 -3.752 509 HA LYS 62 HA LYS 62 -3.221 9.177 -2.839 510 HB2 LYS 62 HB2 LYS 62 -4.501 8.063 -5.319 511 HB3 LYS 62 HB3 LYS 62 -4.829 9.739 -4.841 512 HG2 LYS 62 HG2 LYS 62 -2.309 10.048 -4.770 513 HG3 LYS 62 HG3 LYS 62 -2.188 8.403 -5.456 514 HD2 LYS 62 HD2 LYS 62 -3.530 9.099 -7.412 515 HD3 LYS 62 HD3 LYS 62 -3.558 10.760 -6.794 516 HE2 LYS 62 HE2 LYS 62 -1.021 9.147 -7.385 517 HE3 LYS 62 HE3 LYS 62 -1.739 10.308 -8.488 518 HZ1 LYS 62 HZ1 LYS 62 0.026 11.279 -7.276 519 HZ2 LYS 62 HZ2 LYS 62 -0.614 10.951 -5.823 520 HZ3 LYS 62 HZ3 LYS 62 -1.354 12.040 -6.849 521 H ASN 63 H ASN 63 -6.004 6.883 -2.777 522 HA ASN 63 HA ASN 63 -7.479 8.784 -1.056 523 HB2 ASN 63 HB2 ASN 63 -8.328 7.930 -3.828 524 HB3 ASN 63 HB3 ASN 63 -9.554 8.145 -2.666 525 HD21 ASN 63 HD21 ASN 63 -7.018 9.592 -4.550 526 HD22 ASN 63 HD22 ASN 63 -6.994 11.212 -3.905 527 H ILE 64 H ILE 64 -9.433 7.712 -0.143 528 HA ILE 64 HA ILE 64 -9.666 4.868 -0.146 529 HB ILE 64 HB ILE 64 -7.567 4.966 1.130 530 HG12 ILE 64 HG12 ILE 64 -9.921 4.307 2.922 531 HG13 ILE 64 HG13 ILE 64 -9.156 3.248 1.734 532 HG21 ILE 64 HG21 ILE 64 -7.199 6.167 3.149 533 HG22 ILE 64 HG22 ILE 64 -7.804 7.334 1.986 534 HG23 ILE 64 HG23 ILE 64 -8.892 6.707 3.233 535 HD11 ILE 64 HD11 ILE 64 -8.418 2.654 3.955 536 HD12 ILE 64 HD12 ILE 64 -7.051 3.330 3.064 537 HD13 ILE 64 HD13 ILE 64 -7.877 4.299 4.279 538 H SER 65 H SER 65 -11.704 4.410 0.540 539 HA SER 65 HA SER 65 -13.573 6.465 1.287 540 HB2 SER 65 HB2 SER 65 -15.102 4.508 1.595 541 HB3 SER 65 HB3 SER 65 -14.295 4.568 0.020 542 HG SER 65 HG SER 65 -14.399 2.513 1.343 543 H GLU 66 H GLU 66 -14.750 6.736 3.283 544 HA GLU 66 HA GLU 66 -13.492 6.714 5.714 545 HB2 GLU 66 HB2 GLU 66 -15.463 7.938 5.442 546 HB3 GLU 66 HB3 GLU 66 -16.429 6.515 5.034 547 HG2 GLU 66 HG2 GLU 66 -16.636 5.816 7.213 548 HG3 GLU 66 HG3 GLU 66 -15.062 6.428 7.691 549 H GLU 67 H GLU 67 -15.660 4.146 4.569 550 HA GLU 67 HA GLU 67 -15.547 2.702 6.957 551 HB2 GLU 67 HB2 GLU 67 -17.119 2.653 4.779 552 HB3 GLU 67 HB3 GLU 67 -16.108 1.300 4.336 553 HG2 GLU 67 HG2 GLU 67 -16.871 0.943 7.108 554 HG3 GLU 67 HG3 GLU 67 -18.310 1.396 6.206 555 H ASN 68 H ASN 68 -13.660 2.354 4.017 556 HA ASN 68 HA ASN 68 -12.170 -0.003 4.982 557 HB2 ASN 68 HB2 ASN 68 -11.746 1.849 2.662 558 HB3 ASN 68 HB3 ASN 68 -10.532 0.668 3.139 559 HD21 ASN 68 HD21 ASN 68 -12.114 0.735 0.581 560 HD22 ASN 68 HD22 ASN 68 -13.173 -0.629 0.573 561 H TYR 69 H TYR 69 -11.633 3.574 5.100 562 HA TYR 69 HA TYR 69 -8.964 3.394 5.993 563 HB2 TYR 69 HB2 TYR 69 -9.994 5.465 5.277 564 HB3 TYR 69 HB3 TYR 69 -11.063 5.469 6.685 565 HD1 TYR 69 HD1 TYR 69 -10.128 5.907 8.990 566 HD2 TYR 69 HD2 TYR 69 -7.685 6.126 5.431 567 HE1 TYR 69 HE1 TYR 69 -8.322 6.962 10.282 568 HE2 TYR 69 HE2 TYR 69 -5.869 7.123 6.714 569 HH TYR 69 HH TYR 69 -5.339 8.198 8.725 570 H LYS 70 H LYS 70 -11.898 3.598 8.063 571 HA LYS 70 HA LYS 70 -10.469 3.400 10.501 572 HB2 LYS 70 HB2 LYS 70 -13.297 2.355 9.954 573 HB3 LYS 70 HB3 LYS 70 -12.582 2.653 11.551 574 HG2 LYS 70 HG2 LYS 70 -12.201 5.047 10.852 575 HG3 LYS 70 HG3 LYS 70 -13.113 4.694 9.375 576 HD2 LYS 70 HD2 LYS 70 -15.084 4.039 10.814 577 HD3 LYS 70 HD3 LYS 70 -14.171 4.585 12.229 578 HE2 LYS 70 HE2 LYS 70 -15.151 6.221 9.860 579 HE3 LYS 70 HE3 LYS 70 -15.652 6.369 11.541 580 HZ1 LYS 70 HZ1 LYS 70 -14.129 8.124 10.972 581 HZ2 LYS 70 HZ2 LYS 70 -13.010 7.093 10.412 582 HZ3 LYS 70 HZ3 LYS 70 -13.324 7.108 12.015 583 H LYS 71 H LYS 71 -11.826 0.856 8.472 584 HA LYS 71 HA LYS 71 -11.181 -1.421 9.962 585 HB2 LYS 71 HB2 LYS 71 -12.662 -1.208 7.997 586 HB3 LYS 71 HB3 LYS 71 -11.277 -1.088 6.931 587 HG2 LYS 71 HG2 LYS 71 -10.697 -3.310 7.196 588 HG3 LYS 71 HG3 LYS 71 -11.532 -3.469 8.749 589 HD2 LYS 71 HD2 LYS 71 -12.747 -4.679 7.043 590 HD3 LYS 71 HD3 LYS 71 -13.724 -3.349 7.649 591 HE2 LYS 71 HE2 LYS 71 -12.060 -2.943 5.160 592 HE3 LYS 71 HE3 LYS 71 -13.519 -3.925 5.042 593 HZ1 LYS 71 HZ1 LYS 71 -14.873 -2.089 5.610 594 HZ2 LYS 71 HZ2 LYS 71 -13.779 -1.518 4.535 595 HZ3 LYS 71 HZ3 LYS 71 -13.641 -1.189 6.148 596 H PHE 72 H PHE 72 -9.217 -0.109 7.213 597 HA PHE 72 HA PHE 72 -7.160 -2.042 7.830 598 HB2 PHE 72 HB2 PHE 72 -7.338 0.220 5.835 599 HB3 PHE 72 HB3 PHE 72 -5.869 -0.725 6.057 600 HD1 PHE 72 HD1 PHE 72 -9.368 -0.880 4.822 601 HD2 PHE 72 HD2 PHE 72 -5.742 -3.089 5.411 602 HE1 PHE 72 HE1 PHE 72 -10.320 -2.762 3.547 603 HE2 PHE 72 HE2 PHE 72 -6.687 -4.995 4.189 604 HZ PHE 72 HZ PHE 72 -8.992 -4.861 3.246 605 H SER 73 H SER 73 -7.539 1.435 8.601 606 HA SER 73 HA SER 73 -5.020 2.047 9.574 607 HB2 SER 73 HB2 SER 73 -6.832 3.655 9.209 608 HB3 SER 73 HB3 SER 73 -7.747 2.946 10.550 609 HG SER 73 HG SER 73 -5.308 4.412 10.664 610 H LYS 74 H LYS 74 -7.385 -0.110 11.107 611 HA LYS 74 HA LYS 74 -6.427 0.242 13.758 612 HB2 LYS 74 HB2 LYS 74 -8.580 -0.986 12.751 613 HB3 LYS 74 HB3 LYS 74 -7.544 -2.416 12.882 614 HG2 LYS 74 HG2 LYS 74 -7.165 -1.792 15.334 615 HG3 LYS 74 HG3 LYS 74 -8.221 -0.407 15.076 616 HD2 LYS 74 HD2 LYS 74 -9.609 -1.884 16.107 617 HD3 LYS 74 HD3 LYS 74 -10.032 -2.147 14.414 618 HE2 LYS 74 HE2 LYS 74 -8.025 -3.860 15.951 619 HE3 LYS 74 HE3 LYS 74 -9.763 -4.196 15.917 620 HZ1 LYS 74 HZ1 LYS 74 -9.420 -4.165 13.393 621 HZ2 LYS 74 HZ2 LYS 74 -8.962 -5.482 14.288 622 HZ3 LYS 74 HZ3 LYS 74 -7.827 -4.433 13.751 623 H LYS 75 H LYS 75 -4.653 -1.184 11.175 624 HA LYS 75 HA LYS 75 -2.624 -1.967 13.112 625 HB2 LYS 75 HB2 LYS 75 -4.331 -3.978 12.668 626 HB3 LYS 75 HB3 LYS 75 -3.410 -4.167 11.192 627 HG2 LYS 75 HG2 LYS 75 -2.612 -5.691 12.844 628 HG3 LYS 75 HG3 LYS 75 -1.333 -4.519 12.562 629 HD2 LYS 75 HD2 LYS 75 -1.793 -3.387 14.648 630 HD3 LYS 75 HD3 LYS 75 -3.285 -4.282 14.898 631 HE2 LYS 75 HE2 LYS 75 -0.494 -5.489 14.866 632 HE3 LYS 75 HE3 LYS 75 -1.391 -5.053 16.317 633 HZ1 LYS 75 HZ1 LYS 75 -3.088 -6.700 15.639 634 HZ2 LYS 75 HZ2 LYS 75 -1.628 -7.375 15.904 635 HZ3 LYS 75 HZ3 LYS 75 -2.118 -7.169 14.372 636 H ILE 76 H ILE 76 -3.334 -0.474 10.293 637 HA ILE 76 HA ILE 76 -0.726 -1.035 9.047 638 HB ILE 76 HB ILE 76 -3.380 -1.034 7.536 639 HG12 ILE 76 HG12 ILE 76 -1.589 -3.467 7.902 640 HG13 ILE 76 HG13 ILE 76 -3.006 -3.186 8.898 641 HG21 ILE 76 HG21 ILE 76 -0.492 -1.496 6.686 642 HG22 ILE 76 HG22 ILE 76 -1.894 -1.704 5.626 643 HG23 ILE 76 HG23 ILE 76 -1.516 -0.108 6.259 644 HD11 ILE 76 HD11 ILE 76 -3.158 -3.405 5.884 645 HD12 ILE 76 HD12 ILE 76 -3.512 -4.699 7.046 646 HD13 ILE 76 HD13 ILE 76 -4.482 -3.216 7.062 647 H GLU 77 H GLU 77 0.176 0.901 8.565 648 HA GLU 77 HA GLU 77 -1.391 3.337 9.084 649 HB2 GLU 77 HB2 GLU 77 1.532 2.798 8.441 650 HB3 GLU 77 HB3 GLU 77 0.862 4.419 8.737 651 HG2 GLU 77 HG2 GLU 77 0.090 3.759 10.953 652 HG3 GLU 77 HG3 GLU 77 0.633 2.106 10.713 653 H ILE 78 H ILE 78 -2.208 4.677 7.492 654 HA ILE 78 HA ILE 78 -1.675 3.860 4.686 655 HB ILE 78 HB ILE 78 -3.953 5.533 5.772 656 HG12 ILE 78 HG12 ILE 78 -4.933 3.063 4.880 657 HG13 ILE 78 HG13 ILE 78 -3.480 2.573 5.687 658 HG21 ILE 78 HG21 ILE 78 -4.989 5.086 3.606 659 HG22 ILE 78 HG22 ILE 78 -3.404 5.820 3.335 660 HG23 ILE 78 HG23 ILE 78 -3.606 4.084 3.107 661 HD11 ILE 78 HD11 ILE 78 -4.288 3.733 7.762 662 HD12 ILE 78 HD12 ILE 78 -5.764 4.206 6.882 663 HD13 ILE 78 HD13 ILE 78 -5.414 2.493 7.163 664 H TYR 79 H TYR 79 -0.862 5.262 3.161 665 HA TYR 79 HA TYR 79 0.162 7.898 4.067 666 HB2 TYR 79 HB2 TYR 79 1.634 5.639 2.678 667 HB3 TYR 79 HB3 TYR 79 2.223 7.293 2.682 668 HD1 TYR 79 HD1 TYR 79 1.321 4.440 5.027 669 HD2 TYR 79 HD2 TYR 79 3.413 8.152 4.501 670 HE1 TYR 79 HE1 TYR 79 2.636 3.999 7.069 671 HE2 TYR 79 HE2 TYR 79 4.684 7.760 6.585 672 HH TYR 79 HH TYR 79 4.618 4.627 8.216 673 H HIS 80 H HIS 80 0.637 9.394 2.297 674 HA HIS 80 HA HIS 80 -1.287 9.022 0.107 675 HB2 HIS 80 HB2 HIS 80 -1.454 11.025 1.574 676 HB3 HIS 80 HB3 HIS 80 0.080 11.586 0.944 677 HD1 HIS 80 HD1 HIS 80 -0.160 13.034 -1.309 678 HD2 HIS 80 HD2 HIS 80 -3.380 10.442 -0.462 679 HE1 HIS 80 HE1 HIS 80 -1.875 13.302 -3.203 680 H ALA 81 H ALA 81 -0.777 9.023 -1.976 681 HA ALA 81 HA ALA 81 1.940 8.402 -2.795 682 HB1 ALA 81 HB1 ALA 81 -0.855 8.175 -3.849 683 HB2 ALA 81 HB2 ALA 81 0.481 8.073 -5.004 684 HB3 ALA 81 HB3 ALA 81 0.377 6.925 -3.649 685 H GLU 82 H GLU 82 3.331 9.700 -3.807 686 HA GLU 82 HA GLU 82 2.492 12.397 -4.733 687 HB2 GLU 82 HB2 GLU 82 5.012 11.223 -3.511 688 HB3 GLU 82 HB3 GLU 82 5.151 12.621 -4.574 689 HG2 GLU 82 HG2 GLU 82 3.407 12.514 -2.092 690 HG3 GLU 82 HG3 GLU 82 5.019 13.210 -2.183 691 H GLY 83 H GLY 83 2.148 12.399 -6.924 692 HA2 GLY 83 HA2 GLY 83 2.690 11.997 -9.194 693 HA3 GLY 83 HA3 GLY 83 4.018 10.945 -8.703 694 H ASP 84 H ASP 84 2.655 9.806 -10.512 695 HA ASP 84 HA ASP 84 0.731 7.917 -9.185 696 HB2 ASP 84 HB2 ASP 84 0.925 9.047 -11.982 697 HB3 ASP 84 HB3 ASP 84 -0.001 7.579 -11.627 698 H ASP 85 H ASP 85 3.846 8.226 -10.095 699 HA ASP 85 HA ASP 85 4.253 5.670 -11.454 700 HB2 ASP 85 HB2 ASP 85 5.724 8.020 -11.283 701 HB3 ASP 85 HB3 ASP 85 6.625 6.969 -10.230 702 H VAL 86 H VAL 86 3.708 3.955 -10.178 703 HA VAL 86 HA VAL 86 3.974 3.732 -7.400 704 HB VAL 86 HB VAL 86 3.952 1.668 -9.628 705 HG11 VAL 86 HG11 VAL 86 5.283 0.547 -7.991 706 HG12 VAL 86 HG12 VAL 86 4.317 1.167 -6.655 707 HG13 VAL 86 HG13 VAL 86 3.638 -0.054 -7.757 708 HG21 VAL 86 HG21 VAL 86 1.773 1.161 -8.325 709 HG22 VAL 86 HG22 VAL 86 2.080 2.625 -7.423 710 HG23 VAL 86 HG23 VAL 86 1.840 2.700 -9.191 711 H ASP 87 H ASP 87 6.513 3.344 -9.897 712 HA ASP 87 HA ASP 87 8.330 2.010 -8.156 713 HB2 ASP 87 HB2 ASP 87 8.684 3.553 -10.747 714 HB3 ASP 87 HB3 ASP 87 10.013 2.777 -9.888 715 H LYS 88 H LYS 88 7.791 5.435 -9.015 716 HA LYS 88 HA LYS 88 9.867 6.433 -7.298 717 HB2 LYS 88 HB2 LYS 88 8.864 7.764 -9.108 718 HB3 LYS 88 HB3 LYS 88 7.305 7.751 -8.293 719 HG2 LYS 88 HG2 LYS 88 8.636 9.852 -7.990 720 HG3 LYS 88 HG3 LYS 88 8.110 9.117 -6.489 721 HD2 LYS 88 HD2 LYS 88 10.280 8.374 -5.922 722 HD3 LYS 88 HD3 LYS 88 10.880 8.483 -7.552 723 HE2 LYS 88 HE2 LYS 88 10.140 10.880 -5.817 724 HE3 LYS 88 HE3 LYS 88 11.768 10.213 -5.986 725 HZ1 LYS 88 HZ1 LYS 88 10.172 11.485 -8.114 726 HZ2 LYS 88 HZ2 LYS 88 11.529 10.604 -8.403 727 HZ3 LYS 88 HZ3 LYS 88 11.622 11.959 -7.464 728 H ASN 89 H ASN 89 6.381 5.640 -6.773 729 HA ASN 89 HA ASN 89 6.332 6.947 -4.217 730 HB2 ASN 89 HB2 ASN 89 4.489 4.963 -5.587 731 HB3 ASN 89 HB3 ASN 89 4.230 5.609 -3.953 732 HD21 ASN 89 HD21 ASN 89 5.343 7.369 -6.929 733 HD22 ASN 89 HD22 ASN 89 4.321 8.737 -6.518 734 H ILE 90 H ILE 90 7.107 3.646 -5.246 735 HA ILE 90 HA ILE 90 7.310 2.345 -2.698 736 HB ILE 90 HB ILE 90 8.706 1.995 -5.383 737 HG12 ILE 90 HG12 ILE 90 6.841 0.059 -3.985 738 HG13 ILE 90 HG13 ILE 90 6.247 1.322 -5.031 739 HG21 ILE 90 HG21 ILE 90 9.631 -0.181 -4.510 740 HG22 ILE 90 HG22 ILE 90 10.325 1.200 -3.700 741 HG23 ILE 90 HG23 ILE 90 9.061 0.258 -2.883 742 HD11 ILE 90 HD11 ILE 90 7.551 0.356 -6.920 743 HD12 ILE 90 HD12 ILE 90 8.079 -0.966 -5.856 744 HD13 ILE 90 HD13 ILE 90 6.369 -0.774 -6.235 745 H SER 91 H SER 91 9.672 4.232 -4.692 746 HA SER 91 HA SER 91 11.715 3.894 -2.723 747 HB2 SER 91 HB2 SER 91 12.828 5.652 -4.209 748 HB3 SER 91 HB3 SER 91 12.542 4.024 -4.849 749 HG SER 91 HG SER 91 10.922 4.787 -6.110 750 H LEU 92 H LEU 92 9.112 6.286 -2.957 751 HA LEU 92 HA LEU 92 10.444 8.198 -1.187 752 HB2 LEU 92 HB2 LEU 92 7.705 7.939 -2.311 753 HB3 LEU 92 HB3 LEU 92 8.274 9.178 -1.158 754 HG LEU 92 HG LEU 92 9.515 8.734 -3.888 755 HD11 LEU 92 HD11 LEU 92 7.136 9.427 -4.132 756 HD12 LEU 92 HD12 LEU 92 8.266 10.672 -4.686 757 HD13 LEU 92 HD13 LEU 92 7.484 10.862 -3.124 758 HD21 LEU 92 HD21 LEU 92 10.449 10.983 -3.597 759 HD22 LEU 92 HD22 LEU 92 11.007 9.916 -2.313 760 HD23 LEU 92 HD23 LEU 92 9.716 11.095 -1.999 761 H PHE 93 H PHE 93 8.116 5.550 -0.964 762 HA PHE 93 HA PHE 93 7.491 5.842 1.621 763 HB2 PHE 93 HB2 PHE 93 6.304 4.457 0.234 764 HB3 PHE 93 HB3 PHE 93 7.630 3.323 -0.023 765 HD1 PHE 93 HD2 PHE 93 5.282 4.639 2.590 766 HD2 PHE 93 HD1 PHE 93 8.117 1.566 1.490 767 HE1 PHE 93 HE2 PHE 93 4.719 3.383 4.653 768 HE2 PHE 93 HE1 PHE 93 7.507 0.304 3.507 769 HZ PHE 93 HZ PHE 93 5.833 1.175 5.088 770 H ILE 94 H ILE 94 10.182 3.832 0.416 771 HA ILE 94 HA ILE 94 11.218 2.707 2.811 772 HB ILE 94 HB ILE 94 12.433 3.568 0.161 773 HG12 ILE 94 HG12 ILE 94 12.055 0.725 1.158 774 HG13 ILE 94 HG13 ILE 94 10.681 1.594 0.496 775 HG21 ILE 94 HG21 ILE 94 14.401 2.078 0.751 776 HG22 ILE 94 HG22 ILE 94 14.328 3.601 1.638 777 HG23 ILE 94 HG23 ILE 94 13.858 2.082 2.420 778 HD11 ILE 94 HD11 ILE 94 11.765 0.207 -1.202 779 HD12 ILE 94 HD12 ILE 94 11.826 1.926 -1.629 780 HD13 ILE 94 HD13 ILE 94 13.272 1.120 -1.001 781 H GLU 95 H GLU 95 12.014 5.878 1.253 782 HA GLU 95 HA GLU 95 13.646 6.788 3.433 783 HB2 GLU 95 HB2 GLU 95 12.405 7.933 0.931 784 HB3 GLU 95 HB3 GLU 95 13.005 9.068 2.125 785 HG2 GLU 95 HG2 GLU 95 14.734 6.759 1.125 786 HG3 GLU 95 HG3 GLU 95 14.557 8.272 0.251 787 H GLY 96 H GLY 96 10.139 6.802 2.989 788 HA2 GLY 96 HA2 GLY 96 8.627 7.293 4.710 789 HA3 GLY 96 HA3 GLY 96 9.909 8.112 5.599 790 H GLU 97 H GLU 97 9.323 8.859 2.082 791 HA GLU 97 HA GLU 97 9.406 11.642 2.881 792 HB2 GLU 97 HB2 GLU 97 9.672 9.949 0.511 793 HB3 GLU 97 HB3 GLU 97 8.599 11.287 0.147 794 HG2 GLU 97 HG2 GLU 97 11.262 11.737 1.535 795 HG3 GLU 97 HG3 GLU 97 11.153 11.517 -0.205 796 H LEU 98 H LEU 98 7.003 9.258 2.322 797 HA LEU 98 HA LEU 98 4.925 11.088 1.400 798 HB2 LEU 98 HB2 LEU 98 4.794 8.116 2.117 799 HB3 LEU 98 HB3 LEU 98 3.643 8.919 1.127 800 HG LEU 98 HG LEU 98 5.233 7.977 -0.662 801 HD11 LEU 98 HD11 LEU 98 4.891 10.466 -0.845 802 HD12 LEU 98 HD12 LEU 98 6.240 9.691 -1.667 803 HD13 LEU 98 HD13 LEU 98 6.531 10.582 -0.195 804 HD21 LEU 98 HD21 LEU 98 7.099 7.795 1.190 805 HD22 LEU 98 HD22 LEU 98 6.841 7.183 -0.509 806 HD23 LEU 98 HD23 LEU 98 5.716 6.671 0.688 807 H SER 99 H SER 99 3.248 11.871 2.345 808 HA SER 99 HA SER 99 3.255 12.120 5.216 809 HB2 SER 99 HB2 SER 99 1.303 13.583 4.704 810 HB3 SER 99 HB3 SER 99 2.757 13.942 3.732 811 HG SER 99 HG SER 99 0.796 13.976 2.576 812 H LYS 100 H LYS 100 1.283 11.609 6.503 813 HA LYS 100 HA LYS 100 0.301 8.888 5.818 814 HB2 LYS 100 HB2 LYS 100 0.415 10.439 8.417 815 HB3 LYS 100 HB3 LYS 100 -0.670 9.057 8.187 816 HG2 LYS 100 HG2 LYS 100 1.319 7.690 7.399 817 HG3 LYS 100 HG3 LYS 100 2.364 9.049 7.837 818 HD2 LYS 100 HD2 LYS 100 2.394 7.380 9.581 819 HD3 LYS 100 HD3 LYS 100 1.591 8.839 10.196 820 HE2 LYS 100 HE2 LYS 100 -0.614 7.790 9.851 821 HE3 LYS 100 HE3 LYS 100 0.158 6.385 9.092 822 HZ1 LYS 100 HZ1 LYS 100 -0.365 5.946 11.391 823 HZ2 LYS 100 HZ2 LYS 100 0.485 7.251 11.893 824 HZ3 LYS 100 HZ3 LYS 100 1.279 5.974 11.211 825 H ILE 101 H ILE 101 -1.772 8.530 5.287 826 HA ILE 101 HA ILE 101 -3.541 10.799 4.774 827 HB ILE 101 HB ILE 101 -3.850 7.805 4.441 828 HG12 ILE 101 HG12 ILE 101 -3.656 10.204 2.551 829 HG13 ILE 101 HG13 ILE 101 -2.428 8.989 2.831 830 HG21 ILE 101 HG21 ILE 101 -6.090 8.773 5.086 831 HG22 ILE 101 HG22 ILE 101 -5.955 9.894 3.718 832 HG23 ILE 101 HG23 ILE 101 -6.037 8.153 3.447 833 HD11 ILE 101 HD11 ILE 101 -3.457 8.550 0.710 834 HD12 ILE 101 HD12 ILE 101 -3.934 7.271 1.822 835 HD13 ILE 101 HD13 ILE 101 -5.080 8.565 1.404 836 H SER 102 H SER 102 -4.609 11.720 6.278 837 HA SER 102 HA SER 102 -5.897 10.202 8.483 838 HB2 SER 102 HB2 SER 102 -3.968 12.533 8.699 839 HB3 SER 102 HB3 SER 102 -5.208 12.272 9.933 840 HG SER 102 HG SER 102 -2.948 11.085 9.982 841 H ASN 103 H ASN 103 -6.226 12.241 5.848 842 HA ASN 103 HA ASN 103 -8.859 13.239 6.618 843 HB2 ASN 103 HB2 ASN 103 -8.124 15.584 5.980 844 HB3 ASN 103 HB3 ASN 103 -7.652 14.961 7.552 845 HD21 ASN 103 HD21 ASN 103 -6.426 15.571 4.270 846 HD22 ASN 103 HD22 ASN 103 -4.720 15.502 4.655 847 HA PRO 104 HA PRO 104 -8.440 12.220 2.096 848 HB2 PRO 104 HB2 PRO 104 -10.007 10.001 2.022 849 HB3 PRO 104 HB3 PRO 104 -8.306 9.909 2.551 850 HG2 PRO 104 HG2 PRO 104 -10.807 10.115 4.262 851 HG3 PRO 104 HG3 PRO 104 -9.421 8.961 4.409 852 HD2 PRO 104 HD2 PRO 104 -9.602 11.294 5.899 853 HD3 PRO 104 HD3 PRO 104 -8.072 10.525 5.386 Start of MODEL 16 1 H1 GLY -2 H GLY -2 20.119 1.651 12.696 2 HA2 GLY -2 HA2 GLY -2 17.982 1.795 11.495 3 HA3 GLY -2 HA3 GLY -2 19.306 2.600 10.607 4 H HIS -1 H HIS -1 18.537 2.234 8.558 5 HA HIS -1 HA HIS -1 17.940 1.232 6.670 6 HB2 HIS -1 HB2 HIS -1 19.546 -1.084 7.811 7 HB3 HIS -1 HB3 HIS -1 18.773 -1.175 6.258 8 HD1 HIS -1 HD1 HIS -1 21.560 -1.496 5.685 9 HD2 HIS -1 HD2 HIS -1 19.998 2.341 6.533 10 HE1 HIS -1 HE1 HIS -1 23.213 0.197 4.751 11 H MET 1 H MET 1 16.678 -0.922 5.834 12 HA MET 1 HA MET 1 14.589 -1.465 7.846 13 HB2 MET 1 HB2 MET 1 13.772 0.440 6.353 14 HB3 MET 1 HB3 MET 1 13.815 -0.731 5.028 15 HG2 MET 1 HG2 MET 1 11.560 -0.568 6.086 16 HG3 MET 1 HG3 MET 1 12.274 -2.184 6.132 17 HE1 MET 1 HE1 MET 1 10.635 -3.054 7.316 18 HE2 MET 1 HE2 MET 1 10.727 -3.211 9.060 19 HE3 MET 1 HE3 MET 1 9.692 -1.949 8.348 20 H ILE 2 H ILE 2 14.014 -3.431 7.964 21 HA ILE 2 HA ILE 2 14.720 -5.375 5.813 22 HB ILE 2 HB ILE 2 14.622 -5.806 8.820 23 HG12 ILE 2 HG12 ILE 2 17.069 -5.351 7.026 24 HG13 ILE 2 HG13 ILE 2 16.493 -4.267 8.304 25 HG21 ILE 2 HG21 ILE 2 15.617 -7.541 6.545 26 HG22 ILE 2 HG22 ILE 2 15.799 -7.915 8.279 27 HG23 ILE 2 HG23 ILE 2 14.190 -7.792 7.575 28 HD11 ILE 2 HD11 ILE 2 18.201 -5.357 9.358 29 HD12 ILE 2 HD12 ILE 2 16.794 -6.291 9.896 30 HD13 ILE 2 HD13 ILE 2 17.835 -6.927 8.601 31 H ASN 3 H ASN 3 13.203 -6.980 5.377 32 HA ASN 3 HA ASN 3 11.223 -7.808 5.014 33 HB2 ASN 3 HB2 ASN 3 12.049 -8.346 7.743 34 HB3 ASN 3 HB3 ASN 3 10.309 -8.395 7.670 35 HD21 ASN 3 HD21 ASN 3 12.980 -10.321 7.306 36 HD22 ASN 3 HD22 ASN 3 12.336 -11.531 6.252 37 H MET 4 H MET 4 10.896 -4.992 4.891 38 HA MET 4 HA MET 4 8.485 -4.122 6.263 39 HB2 MET 4 HB2 MET 4 10.157 -2.674 4.849 40 HB3 MET 4 HB3 MET 4 9.246 -3.293 3.458 41 HG2 MET 4 HG2 MET 4 8.191 -1.340 3.769 42 HG3 MET 4 HG3 MET 4 7.167 -2.350 4.765 43 HE1 MET 4 HE1 MET 4 8.545 1.068 4.571 44 HE2 MET 4 HE2 MET 4 9.676 1.251 5.923 45 HE3 MET 4 HE3 MET 4 10.078 0.173 4.573 46 H LYS 5 H LYS 5 6.302 -4.194 5.408 47 HA LYS 5 HA LYS 5 6.040 -5.158 2.678 48 HB2 LYS 5 HB2 LYS 5 4.754 -6.537 5.023 49 HB3 LYS 5 HB3 LYS 5 3.827 -6.299 3.548 50 HG2 LYS 5 HG2 LYS 5 4.661 -8.082 2.621 51 HG3 LYS 5 HG3 LYS 5 6.282 -7.437 2.679 52 HD2 LYS 5 HD2 LYS 5 5.116 -8.757 5.164 53 HD3 LYS 5 HD3 LYS 5 5.651 -9.752 3.809 54 HE2 LYS 5 HE2 LYS 5 7.839 -8.867 3.844 55 HE3 LYS 5 HE3 LYS 5 7.453 -7.682 5.082 56 HZ1 LYS 5 HZ1 LYS 5 7.242 -9.359 6.685 57 HZ2 LYS 5 HZ2 LYS 5 8.594 -9.762 5.847 58 HZ3 LYS 5 HZ3 LYS 5 7.224 -10.603 5.586 59 H VAL 6 H VAL 6 4.138 -4.201 1.644 60 HA VAL 6 HA VAL 6 2.590 -2.216 3.111 61 HB VAL 6 HB VAL 6 4.833 -1.380 1.985 62 HG11 VAL 6 HG11 VAL 6 5.096 -1.221 -0.005 63 HG12 VAL 6 HG12 VAL 6 4.642 -2.918 0.327 64 HG13 VAL 6 HG13 VAL 6 3.442 -1.812 -0.463 65 HG21 VAL 6 HG21 VAL 6 2.959 0.433 2.039 66 HG22 VAL 6 HG22 VAL 6 4.165 0.413 0.718 67 HG23 VAL 6 HG23 VAL 6 2.507 -0.212 0.456 68 H ALA 7 H ALA 7 0.541 -1.958 1.746 69 HA ALA 7 HA ALA 7 0.562 -3.462 -0.876 70 HB1 ALA 7 HB1 ALA 7 -1.321 -4.242 0.231 71 HB2 ALA 7 HB2 ALA 7 -1.688 -2.659 0.957 72 HB3 ALA 7 HB3 ALA 7 -1.990 -2.926 -0.766 73 H ILE 8 H ILE 8 0.612 -2.308 -2.778 74 HA ILE 8 HA ILE 8 -0.009 0.626 -2.683 75 HB ILE 8 HB ILE 8 1.296 -0.939 -4.932 76 HG12 ILE 8 HG12 ILE 8 2.795 0.674 -2.856 77 HG13 ILE 8 HG13 ILE 8 2.747 -1.078 -2.879 78 HG21 ILE 8 HG21 ILE 8 0.189 1.283 -5.435 79 HG22 ILE 8 HG22 ILE 8 1.406 2.048 -4.390 80 HG23 ILE 8 HG23 ILE 8 1.873 1.190 -5.866 81 HD11 ILE 8 HD11 ILE 8 4.797 -0.082 -3.952 82 HD12 ILE 8 HD12 ILE 8 3.905 -1.282 -4.935 83 HD13 ILE 8 HD13 ILE 8 3.785 0.446 -5.279 84 H SER 9 H SER 9 -2.183 1.092 -3.355 85 HA SER 9 HA SER 9 -3.791 -0.772 -4.796 86 HB2 SER 9 HB2 SER 9 -5.150 1.341 -5.237 87 HB3 SER 9 HB3 SER 9 -4.929 0.912 -3.573 88 HG SER 9 HG SER 9 -3.071 2.648 -4.779 89 H MET 10 H MET 10 -3.386 -1.429 -6.877 90 HA MET 10 HA MET 10 -2.187 0.525 -8.780 91 HB2 MET 10 HB2 MET 10 -1.858 -2.484 -8.622 92 HB3 MET 10 HB3 MET 10 -1.301 -1.474 -9.949 93 HG2 MET 10 HG2 MET 10 -0.110 -0.182 -7.864 94 HG3 MET 10 HG3 MET 10 -0.228 -1.809 -7.196 95 HE1 MET 10 HE1 MET 10 1.028 0.225 -10.329 96 HE2 MET 10 HE2 MET 10 2.202 -0.900 -11.051 97 HE3 MET 10 HE3 MET 10 0.471 -1.254 -11.138 98 H ASP 11 H ASP 11 -2.810 0.382 -10.879 99 HA ASP 11 HA ASP 11 -5.597 -0.520 -11.488 100 HB2 ASP 11 HB2 ASP 11 -4.698 1.886 -11.761 101 HB3 ASP 11 HB3 ASP 11 -3.611 1.319 -12.963 102 H VAL 12 H VAL 12 -2.560 -0.213 -13.380 103 HA VAL 12 HA VAL 12 -2.582 -3.134 -13.767 104 HB VAL 12 HB VAL 12 -2.217 -1.374 -16.224 105 HG11 VAL 12 HG11 VAL 12 -2.281 -3.558 -17.376 106 HG12 VAL 12 HG12 VAL 12 -1.042 -3.560 -16.115 107 HG13 VAL 12 HG13 VAL 12 -2.592 -4.360 -15.825 108 HG21 VAL 12 HG21 VAL 12 -4.613 -1.225 -15.621 109 HG22 VAL 12 HG22 VAL 12 -4.393 -2.253 -17.037 110 HG23 VAL 12 HG23 VAL 12 -4.687 -2.988 -15.458 111 H ASP 13 H ASP 13 -0.871 -0.228 -15.037 112 HA ASP 13 HA ASP 13 1.564 -1.433 -13.866 113 HB2 ASP 13 HB2 ASP 13 1.575 0.521 -16.153 114 HB3 ASP 13 HB3 ASP 13 2.820 -0.633 -15.669 115 H LYS 14 H LYS 14 -0.477 1.090 -13.275 116 HA LYS 14 HA LYS 14 1.579 2.570 -11.771 117 HB2 LYS 14 HB2 LYS 14 0.560 4.701 -12.332 118 HB3 LYS 14 HB3 LYS 14 1.248 3.950 -13.752 119 HG2 LYS 14 HG2 LYS 14 -1.703 3.568 -13.132 120 HG3 LYS 14 HG3 LYS 14 -1.171 5.120 -13.743 121 HD2 LYS 14 HD2 LYS 14 -0.516 2.523 -15.195 122 HD3 LYS 14 HD3 LYS 14 -2.006 3.426 -15.415 123 HE2 LYS 14 HE2 LYS 14 -0.689 5.434 -16.032 124 HE3 LYS 14 HE3 LYS 14 0.784 4.439 -16.010 125 HZ1 LYS 14 HZ1 LYS 14 -0.279 3.027 -17.696 126 HZ2 LYS 14 HZ2 LYS 14 -0.218 4.606 -18.231 127 HZ3 LYS 14 HZ3 LYS 14 -1.615 3.944 -17.677 128 H ILE 15 H ILE 15 0.459 4.098 -10.247 129 HA ILE 15 HA ILE 15 -1.155 2.594 -8.437 130 HB ILE 15 HB ILE 15 -0.432 5.547 -8.626 131 HG12 ILE 15 HG12 ILE 15 0.657 3.227 -6.966 132 HG13 ILE 15 HG13 ILE 15 1.459 4.001 -8.325 133 HG21 ILE 15 HG21 ILE 15 -2.463 5.436 -7.321 134 HG22 ILE 15 HG22 ILE 15 -1.836 4.086 -6.361 135 HG23 ILE 15 HG23 ILE 15 -1.124 5.708 -6.223 136 HD11 ILE 15 HD11 ILE 15 0.979 5.244 -5.613 137 HD12 ILE 15 HD12 ILE 15 2.508 4.768 -6.353 138 HD13 ILE 15 HD13 ILE 15 1.600 6.122 -7.035 139 H SER 16 H SER 16 -3.396 2.615 -8.080 140 HA SER 16 HA SER 16 -5.094 3.586 -10.294 141 HB2 SER 16 HB2 SER 16 -6.875 2.448 -8.820 142 HB3 SER 16 HB3 SER 16 -5.665 1.430 -9.585 143 HG SER 16 HG SER 16 -5.548 2.400 -6.927 144 H ASN 17 H ASN 17 -7.082 4.780 -9.757 145 HA ASN 17 HA ASN 17 -6.822 7.191 -8.569 146 HB2 ASN 17 HB2 ASN 17 -8.655 6.409 -10.056 147 HB3 ASN 17 HB3 ASN 17 -9.352 5.508 -8.723 148 HD21 ASN 17 HD21 ASN 17 -8.073 8.621 -7.722 149 HD22 ASN 17 HD22 ASN 17 -9.617 9.401 -7.707 150 H SER 18 H SER 18 -8.053 4.235 -6.827 151 HA SER 18 HA SER 18 -7.713 5.513 -4.238 152 HB2 SER 18 HB2 SER 18 -10.412 5.086 -4.023 153 HB3 SER 18 HB3 SER 18 -9.632 6.621 -4.295 154 HG SER 18 HG SER 18 -11.355 5.475 -5.902 155 H PHE 19 H PHE 19 -8.612 4.106 -2.515 156 HA PHE 19 HA PHE 19 -7.521 1.513 -2.725 157 HB2 PHE 19 HB2 PHE 19 -7.559 2.865 -0.682 158 HB3 PHE 19 HB3 PHE 19 -9.322 2.809 -0.641 159 HD1 PHE 19 HD1 PHE 19 -6.195 0.790 -0.039 160 HD2 PHE 19 HD2 PHE 19 -10.524 0.841 0.158 161 HE1 PHE 19 HE1 PHE 19 -6.190 -1.324 1.196 162 HE2 PHE 19 HE2 PHE 19 -10.466 -1.256 1.453 163 HZ PHE 19 HZ PHE 19 -8.296 -2.330 1.999 164 H GLU 20 H GLU 20 -10.875 2.543 -3.321 165 HA GLU 20 HA GLU 20 -11.651 -0.332 -3.497 166 HB2 GLU 20 HB2 GLU 20 -13.240 2.221 -3.543 167 HB3 GLU 20 HB3 GLU 20 -13.955 0.703 -4.072 168 HG2 GLU 20 HG2 GLU 20 -12.714 1.154 -1.339 169 HG3 GLU 20 HG3 GLU 20 -14.428 1.341 -1.682 170 H ASP 21 H ASP 21 -10.951 2.475 -5.505 171 HA ASP 21 HA ASP 21 -12.007 1.329 -7.964 172 HB2 ASP 21 HB2 ASP 21 -10.284 3.763 -7.394 173 HB3 ASP 21 HB3 ASP 21 -10.940 3.374 -8.967 174 H CYS 22 H CYS 22 -9.531 0.164 -6.314 175 HA CYS 22 HA CYS 22 -7.435 0.218 -8.373 176 HB2 CYS 22 HB2 CYS 22 -6.186 -1.191 -6.764 177 HB3 CYS 22 HB3 CYS 22 -6.738 0.323 -6.042 178 HG CYS 22 HG CYS 22 -6.884 -1.739 -4.315 179 H LYS 23 H LYS 23 -6.498 -1.828 -8.994 180 HA LYS 23 HA LYS 23 -8.529 -3.935 -9.670 181 HB2 LYS 23 HB2 LYS 23 -5.942 -2.965 -10.898 182 HB3 LYS 23 HB3 LYS 23 -6.605 -4.541 -11.305 183 HG2 LYS 23 HG2 LYS 23 -7.139 -2.835 -12.991 184 HG3 LYS 23 HG3 LYS 23 -8.534 -3.623 -12.303 185 HD2 LYS 23 HD2 LYS 23 -9.208 -1.704 -11.087 186 HD3 LYS 23 HD3 LYS 23 -7.658 -0.874 -11.413 187 HE2 LYS 23 HE2 LYS 23 -8.150 -1.030 -13.866 188 HE3 LYS 23 HE3 LYS 23 -9.744 -1.709 -13.482 189 HZ1 LYS 23 HZ1 LYS 23 -10.182 0.352 -12.252 190 HZ2 LYS 23 HZ2 LYS 23 -9.837 0.636 -13.845 191 HZ3 LYS 23 HZ3 LYS 23 -8.677 0.929 -12.746 192 H TYR 24 H TYR 24 -5.374 -3.170 -8.117 193 HA TYR 24 HA TYR 24 -5.577 -5.595 -6.616 194 HB2 TYR 24 HB2 TYR 24 -3.540 -6.652 -7.300 195 HB3 TYR 24 HB3 TYR 24 -4.549 -6.470 -8.693 196 HD1 TYR 24 HD1 TYR 24 -3.980 -4.953 -10.531 197 HD2 TYR 24 HD2 TYR 24 -1.369 -5.581 -7.152 198 HE1 TYR 24 HE1 TYR 24 -2.070 -4.184 -11.870 199 HE2 TYR 24 HE2 TYR 24 0.513 -4.809 -8.433 200 HH TYR 24 HH TYR 24 0.191 -3.636 -11.853 201 H PHE 25 H PHE 25 -3.531 -5.863 -5.326 202 HA PHE 25 HA PHE 25 -2.522 -3.324 -4.233 203 HB2 PHE 25 HB2 PHE 25 -3.372 -5.879 -2.873 204 HB3 PHE 25 HB3 PHE 25 -2.539 -4.576 -2.065 205 HD1 PHE 25 HD2 PHE 25 -3.640 -2.211 -2.279 206 HD2 PHE 25 HD1 PHE 25 -5.716 -5.904 -2.976 207 HE1 PHE 25 HE2 PHE 25 -5.835 -1.054 -1.870 208 HE2 PHE 25 HE1 PHE 25 -7.906 -4.753 -2.591 209 HZ PHE 25 HZ PHE 25 -7.951 -2.347 -2.005 210 H LEU 26 H LEU 26 -0.457 -3.240 -4.958 211 HA LEU 26 HA LEU 26 1.086 -5.656 -5.462 212 HB2 LEU 26 HB2 LEU 26 1.301 -3.505 -6.796 213 HB3 LEU 26 HB3 LEU 26 2.113 -2.802 -5.402 214 HG LEU 26 HG LEU 26 3.683 -3.411 -7.055 215 HD11 LEU 26 HD11 LEU 26 4.211 -3.881 -4.605 216 HD12 LEU 26 HD12 LEU 26 5.225 -4.594 -5.848 217 HD13 LEU 26 HD13 LEU 26 4.016 -5.616 -5.034 218 HD21 LEU 26 HD21 LEU 26 2.479 -6.205 -7.042 219 HD22 LEU 26 HD22 LEU 26 4.059 -5.832 -7.703 220 HD23 LEU 26 HD23 LEU 26 2.633 -5.072 -8.381 221 H ILE 27 H ILE 27 1.890 -6.774 -3.733 222 HA ILE 27 HA ILE 27 2.425 -5.378 -1.217 223 HB ILE 27 HB ILE 27 2.890 -8.330 -1.750 224 HG12 ILE 27 HG12 ILE 27 0.545 -7.935 -2.108 225 HG13 ILE 27 HG13 ILE 27 0.767 -8.717 -0.548 226 HG21 ILE 27 HG21 ILE 27 2.741 -6.785 0.859 227 HG22 ILE 27 HG22 ILE 27 2.842 -8.538 0.695 228 HG23 ILE 27 HG23 ILE 27 4.172 -7.527 0.154 229 HD11 ILE 27 HD11 ILE 27 0.103 -5.766 -1.031 230 HD12 ILE 27 HD12 ILE 27 -0.977 -6.997 -0.376 231 HD13 ILE 27 HD13 ILE 27 0.409 -6.479 0.585 232 H VAL 28 H VAL 28 4.199 -4.071 -1.435 233 HA VAL 28 HA VAL 28 6.670 -4.849 -2.733 234 HB VAL 28 HB VAL 28 6.471 -2.637 -0.563 235 HG11 VAL 28 HG11 VAL 28 8.742 -3.350 -1.381 236 HG12 VAL 28 HG12 VAL 28 8.235 -3.021 -3.046 237 HG13 VAL 28 HG13 VAL 28 8.309 -1.702 -1.870 238 HG21 VAL 28 HG21 VAL 28 4.693 -2.309 -2.221 239 HG22 VAL 28 HG22 VAL 28 5.896 -1.079 -2.041 240 HG23 VAL 28 HG23 VAL 28 5.956 -2.216 -3.485 241 H ARG 29 H ARG 29 8.305 -6.184 -1.778 242 HA ARG 29 HA ARG 29 8.236 -6.353 1.168 243 HB2 ARG 29 HB2 ARG 29 7.580 -8.550 0.277 244 HB3 ARG 29 HB3 ARG 29 9.087 -8.647 -0.611 245 HG2 ARG 29 HG2 ARG 29 10.402 -8.666 1.459 246 HG3 ARG 29 HG3 ARG 29 9.028 -8.116 2.382 247 HD2 ARG 29 HD2 ARG 29 9.425 -10.441 2.860 248 HD3 ARG 29 HD3 ARG 29 7.855 -10.202 2.075 249 HE ARG 29 HE ARG 29 10.214 -11.040 0.457 250 HH11 ARG 29 HH11 ARG 29 7.229 -12.121 2.057 251 HH12 ARG 29 HH12 ARG 29 6.811 -13.312 0.868 252 HH21 ARG 29 HH21 ARG 29 9.886 -12.820 -0.911 253 HH22 ARG 29 HH22 ARG 29 8.320 -13.543 -1.001 254 H ILE 30 H ILE 30 9.691 -4.946 1.656 255 HA ILE 30 HA ILE 30 12.203 -4.682 0.099 256 HB ILE 30 HB ILE 30 11.094 -3.123 2.472 257 HG12 ILE 30 HG12 ILE 30 11.756 -1.460 0.217 258 HG13 ILE 30 HG13 ILE 30 10.852 -2.797 -0.426 259 HG21 ILE 30 HG21 ILE 30 12.933 -1.628 2.397 260 HG22 ILE 30 HG22 ILE 30 13.645 -3.238 2.518 261 HG23 ILE 30 HG23 ILE 30 13.588 -2.445 0.951 262 HD11 ILE 30 HD11 ILE 30 9.459 -0.886 0.147 263 HD12 ILE 30 HD12 ILE 30 9.017 -2.298 1.152 264 HD13 ILE 30 HD13 ILE 30 10.000 -0.964 1.840 265 H ASP 31 H ASP 31 14.125 -5.327 1.173 266 HA ASP 31 HA ASP 31 13.855 -6.855 3.721 267 HB2 ASP 31 HB2 ASP 31 14.680 -7.902 1.010 268 HB3 ASP 31 HB3 ASP 31 15.574 -8.485 2.402 269 H ASP 32 H ASP 32 15.708 -4.843 1.785 270 HA ASP 32 HA ASP 32 17.222 -4.035 4.060 271 HB2 ASP 32 HB2 ASP 32 18.493 -6.179 3.129 272 HB3 ASP 32 HB3 ASP 32 19.029 -5.113 1.857 273 H ASN 33 H ASN 33 15.750 -2.579 3.291 274 HA ASN 33 HA ASN 33 14.991 -0.706 2.247 275 HB2 ASN 33 HB2 ASN 33 17.948 -0.181 1.980 276 HB3 ASN 33 HB3 ASN 33 16.692 1.009 1.718 277 HD21 ASN 33 HD21 ASN 33 15.033 1.317 3.682 278 HD22 ASN 33 HD22 ASN 33 15.742 1.126 5.252 279 H GLU 34 H GLU 34 15.960 -3.079 0.299 280 HA GLU 34 HA GLU 34 15.298 -1.533 -2.158 281 HB2 GLU 34 HB2 GLU 34 17.285 -3.790 -1.583 282 HB3 GLU 34 HB3 GLU 34 16.740 -3.462 -3.221 283 HG2 GLU 34 HG2 GLU 34 18.077 -1.417 -1.415 284 HG3 GLU 34 HG3 GLU 34 18.904 -2.397 -2.640 285 H VAL 35 H VAL 35 14.450 -2.640 -3.823 286 HA VAL 35 HA VAL 35 12.139 -4.267 -3.143 287 HB VAL 35 HB VAL 35 13.229 -3.561 -5.907 288 HG11 VAL 35 HG11 VAL 35 10.486 -4.569 -4.991 289 HG12 VAL 35 HG12 VAL 35 10.866 -4.016 -6.631 290 HG13 VAL 35 HG13 VAL 35 11.650 -5.462 -6.003 291 HG21 VAL 35 HG21 VAL 35 11.022 -2.181 -4.346 292 HG22 VAL 35 HG22 VAL 35 12.658 -1.507 -4.701 293 HG23 VAL 35 HG23 VAL 35 11.523 -1.818 -6.015 294 H LYS 36 H LYS 36 12.898 -6.243 -2.309 295 HA LYS 36 HA LYS 36 14.488 -7.893 -4.247 296 HB2 LYS 36 HB2 LYS 36 13.977 -8.708 -1.391 297 HB3 LYS 36 HB3 LYS 36 15.060 -9.408 -2.570 298 HG2 LYS 36 HG2 LYS 36 15.339 -6.905 -0.928 299 HG3 LYS 36 HG3 LYS 36 16.438 -8.269 -1.103 300 HD2 LYS 36 HD2 LYS 36 16.563 -7.278 -3.653 301 HD3 LYS 36 HD3 LYS 36 16.034 -5.831 -2.756 302 HE2 LYS 36 HE2 LYS 36 18.350 -5.639 -2.703 303 HE3 LYS 36 HE3 LYS 36 17.966 -6.353 -1.127 304 HZ1 LYS 36 HZ1 LYS 36 19.810 -7.433 -2.229 305 HZ2 LYS 36 HZ2 LYS 36 18.903 -7.814 -3.514 306 HZ3 LYS 36 HZ3 LYS 36 18.595 -8.521 -2.032 307 H SER 37 H SER 37 11.171 -7.673 -2.949 308 HA SER 37 HA SER 37 10.452 -9.567 -5.066 309 HB2 SER 37 HB2 SER 37 9.987 -10.019 -2.089 310 HB3 SER 37 HB3 SER 37 9.004 -10.750 -3.319 311 HG SER 37 HG SER 37 11.790 -11.016 -3.485 312 H THR 38 H THR 38 8.328 -9.243 -5.818 313 HA THR 38 HA THR 38 6.545 -7.314 -4.405 314 HB THR 38 HB THR 38 5.771 -6.841 -6.785 315 HG1 THR 38 HG1 THR 38 7.250 -7.237 -8.409 316 HG21 THR 38 HG21 THR 38 8.643 -5.979 -6.230 317 HG22 THR 38 HG22 THR 38 7.239 -5.322 -5.357 318 HG23 THR 38 HG23 THR 38 7.364 -5.097 -7.099 319 H LYS 39 H LYS 39 4.217 -7.807 -4.759 320 HA LYS 39 HA LYS 39 3.542 -10.523 -5.707 321 HB2 LYS 39 HB2 LYS 39 3.861 -9.880 -2.945 322 HB3 LYS 39 HB3 LYS 39 2.154 -9.771 -3.218 323 HG2 LYS 39 HG2 LYS 39 2.016 -11.896 -2.817 324 HG3 LYS 39 HG3 LYS 39 2.619 -12.200 -4.438 325 HD2 LYS 39 HD2 LYS 39 4.624 -11.655 -2.327 326 HD3 LYS 39 HD3 LYS 39 3.724 -13.121 -2.060 327 HE2 LYS 39 HE2 LYS 39 5.100 -12.575 -4.722 328 HE3 LYS 39 HE3 LYS 39 5.980 -13.239 -3.342 329 HZ1 LYS 39 HZ1 LYS 39 4.644 -15.139 -3.317 330 HZ2 LYS 39 HZ2 LYS 39 5.199 -14.937 -4.843 331 HZ3 LYS 39 HZ3 LYS 39 3.650 -14.564 -4.564 332 H VAL 40 H VAL 40 1.149 -10.682 -6.075 333 HA VAL 40 HA VAL 40 -0.260 -8.034 -6.085 334 HB VAL 40 HB VAL 40 -0.073 -10.265 -8.139 335 HG11 VAL 40 HG11 VAL 40 -2.405 -9.557 -8.087 336 HG12 VAL 40 HG12 VAL 40 -1.900 -7.852 -8.147 337 HG13 VAL 40 HG13 VAL 40 -1.618 -8.916 -9.530 338 HG21 VAL 40 HG21 VAL 40 1.813 -8.681 -8.225 339 HG22 VAL 40 HG22 VAL 40 0.735 -8.382 -9.588 340 HG23 VAL 40 HG23 VAL 40 0.696 -7.308 -8.173 341 H ILE 41 H ILE 41 -1.801 -8.109 -4.590 342 HA ILE 41 HA ILE 41 -3.536 -10.534 -4.311 343 HB ILE 41 HB ILE 41 -3.394 -7.963 -2.692 344 HG12 ILE 41 HG12 ILE 41 -2.495 -10.719 -1.848 345 HG13 ILE 41 HG13 ILE 41 -1.473 -9.305 -2.126 346 HG21 ILE 41 HG21 ILE 41 -5.103 -8.985 -1.231 347 HG22 ILE 41 HG22 ILE 41 -5.680 -8.953 -2.876 348 HG23 ILE 41 HG23 ILE 41 -5.060 -10.473 -2.204 349 HD11 ILE 41 HD11 ILE 41 -3.427 -9.803 0.135 350 HD12 ILE 41 HD12 ILE 41 -1.708 -9.409 0.210 351 HD13 ILE 41 HD13 ILE 41 -2.883 -8.162 -0.269 352 H PHE 42 H PHE 42 -5.223 -10.351 -5.898 353 HA PHE 42 HA PHE 42 -5.595 -7.800 -7.257 354 HB2 PHE 42 HB2 PHE 42 -7.197 -10.355 -7.256 355 HB3 PHE 42 HB3 PHE 42 -7.584 -8.946 -8.260 356 HD1 PHE 42 HD1 PHE 42 -5.592 -8.017 -9.754 357 HD2 PHE 42 HD2 PHE 42 -5.814 -12.004 -8.155 358 HE1 PHE 42 HE1 PHE 42 -3.901 -8.772 -11.411 359 HE2 PHE 42 HE2 PHE 42 -4.179 -12.764 -9.789 360 HZ PHE 42 HZ PHE 42 -3.174 -11.148 -11.441 361 H ASN 43 H ASN 43 -7.648 -6.620 -7.302 362 HA ASN 43 HA ASN 43 -8.687 -6.159 -4.569 363 HB2 ASN 43 HB2 ASN 43 -8.121 -4.184 -5.895 364 HB3 ASN 43 HB3 ASN 43 -9.211 -4.706 -7.195 365 HD21 ASN 43 HD21 ASN 43 -10.529 -2.762 -6.952 366 HD22 ASN 43 HD22 ASN 43 -11.484 -2.449 -5.556 367 H ASP 44 H ASP 44 -9.689 -8.282 -4.408 368 HA ASP 44 HA ASP 44 -12.321 -8.335 -5.771 369 HB2 ASP 44 HB2 ASP 44 -10.841 -10.870 -5.058 370 HB3 ASP 44 HB3 ASP 44 -12.325 -10.655 -5.987 371 H GLU 45 H GLU 45 -13.358 -10.431 -4.467 372 HA GLU 45 HA GLU 45 -14.038 -9.576 -1.828 373 HB2 GLU 45 HB2 GLU 45 -15.391 -10.848 -3.563 374 HB3 GLU 45 HB3 GLU 45 -14.360 -12.251 -3.287 375 HG2 GLU 45 HG2 GLU 45 -15.499 -12.852 -1.470 376 HG3 GLU 45 HG3 GLU 45 -15.413 -11.244 -0.755 377 H SER 46 H SER 46 -11.965 -12.276 -3.144 378 HA SER 46 HA SER 46 -11.112 -13.098 -0.522 379 HB2 SER 46 HB2 SER 46 -9.791 -13.426 -3.241 380 HB3 SER 46 HB3 SER 46 -9.334 -14.272 -1.736 381 HG SER 46 HG SER 46 -10.654 -15.582 -2.899 382 H GLY 47 H GLY 47 -9.832 -10.732 -2.894 383 HA2 GLY 47 HA2 GLY 47 -7.329 -10.369 -1.913 384 HA3 GLY 47 HA3 GLY 47 -8.286 -9.090 -2.688 385 H LYS 48 H LYS 48 -10.046 -8.181 -1.087 386 HA LYS 48 HA LYS 48 -8.653 -6.736 1.000 387 HB2 LYS 48 HB2 LYS 48 -11.579 -7.212 0.236 388 HB3 LYS 48 HB3 LYS 48 -11.140 -6.183 1.607 389 HG2 LYS 48 HG2 LYS 48 -10.278 -4.501 0.301 390 HG3 LYS 48 HG3 LYS 48 -9.689 -5.603 -0.946 391 HD2 LYS 48 HD2 LYS 48 -11.370 -4.321 -1.946 392 HD3 LYS 48 HD3 LYS 48 -12.017 -5.935 -1.772 393 HE2 LYS 48 HE2 LYS 48 -13.332 -5.185 0.208 394 HE3 LYS 48 HE3 LYS 48 -12.595 -3.576 0.081 395 HZ1 LYS 48 HZ1 LYS 48 -14.812 -3.717 -0.942 396 HZ2 LYS 48 HZ2 LYS 48 -14.210 -4.742 -2.104 397 HZ3 LYS 48 HZ3 LYS 48 -13.651 -3.190 -1.949 398 H LYS 49 H LYS 49 -10.383 -9.882 1.054 399 HA LYS 49 HA LYS 49 -10.477 -9.961 3.945 400 HB2 LYS 49 HB2 LYS 49 -10.807 -12.027 1.734 401 HB3 LYS 49 HB3 LYS 49 -10.863 -12.456 3.432 402 HG2 LYS 49 HG2 LYS 49 -12.750 -10.949 3.835 403 HG3 LYS 49 HG3 LYS 49 -12.663 -10.356 2.166 404 HD2 LYS 49 HD2 LYS 49 -13.049 -12.747 1.390 405 HD3 LYS 49 HD3 LYS 49 -13.367 -13.169 3.091 406 HE2 LYS 49 HE2 LYS 49 -15.166 -11.466 3.168 407 HE3 LYS 49 HE3 LYS 49 -14.808 -11.004 1.499 408 HZ1 LYS 49 HZ1 LYS 49 -16.679 -12.522 1.623 409 HZ2 LYS 49 HZ2 LYS 49 -15.744 -13.685 2.328 410 HZ3 LYS 49 HZ3 LYS 49 -15.455 -13.237 0.804 411 H SER 50 H SER 50 -8.078 -10.992 1.454 412 HA SER 50 HA SER 50 -6.330 -12.306 3.282 413 HB2 SER 50 HB2 SER 50 -5.584 -10.744 0.777 414 HB3 SER 50 HB3 SER 50 -4.616 -11.970 1.597 415 HG SER 50 HG SER 50 -6.928 -13.102 1.144 416 H ILE 51 H ILE 51 -6.703 -8.850 2.357 417 HA ILE 51 HA ILE 51 -4.351 -7.907 3.589 418 HB ILE 51 HB ILE 51 -6.949 -6.393 3.149 419 HG12 ILE 51 HG12 ILE 51 -4.503 -6.994 1.421 420 HG13 ILE 51 HG13 ILE 51 -6.189 -7.255 1.055 421 HG21 ILE 51 HG21 ILE 51 -5.357 -4.408 3.196 422 HG22 ILE 51 HG22 ILE 51 -5.597 -5.203 4.715 423 HG23 ILE 51 HG23 ILE 51 -4.110 -5.549 3.868 424 HD11 ILE 51 HD11 ILE 51 -4.758 -4.590 1.075 425 HD12 ILE 51 HD12 ILE 51 -5.458 -5.467 -0.275 426 HD13 ILE 51 HD13 ILE 51 -6.531 -4.773 0.958 427 H VAL 52 H VAL 52 -7.276 -8.966 5.118 428 HA VAL 52 HA VAL 52 -6.698 -7.739 7.712 429 HB VAL 52 HB VAL 52 -8.632 -9.969 7.018 430 HG11 VAL 52 HG11 VAL 52 -8.686 -7.952 9.324 431 HG12 VAL 52 HG12 VAL 52 -9.880 -9.234 9.016 432 HG13 VAL 52 HG13 VAL 52 -8.229 -9.660 9.493 433 HG21 VAL 52 HG21 VAL 52 -10.290 -8.051 6.974 434 HG22 VAL 52 HG22 VAL 52 -8.858 -6.964 6.960 435 HG23 VAL 52 HG23 VAL 52 -9.132 -8.122 5.637 436 H LYS 53 H LYS 53 -5.759 -10.790 6.104 437 HA LYS 53 HA LYS 53 -4.632 -11.728 8.666 438 HB2 LYS 53 HB2 LYS 53 -6.171 -13.266 6.525 439 HB3 LYS 53 HB3 LYS 53 -5.001 -14.031 7.575 440 HG2 LYS 53 HG2 LYS 53 -6.887 -14.482 8.693 441 HG3 LYS 53 HG3 LYS 53 -6.271 -13.089 9.574 442 HD2 LYS 53 HD2 LYS 53 -8.143 -11.872 9.135 443 HD3 LYS 53 HD3 LYS 53 -8.108 -12.292 7.413 444 HE2 LYS 53 HE2 LYS 53 -10.153 -13.187 8.314 445 HE3 LYS 53 HE3 LYS 53 -9.068 -14.525 7.949 446 HZ1 LYS 53 HZ1 LYS 53 -10.006 -14.941 10.050 447 HZ2 LYS 53 HZ2 LYS 53 -9.803 -13.422 10.565 448 HZ3 LYS 53 HZ3 LYS 53 -8.483 -14.410 10.423 449 H GLU 54 H GLU 54 -3.131 -10.061 7.236 450 HA GLU 54 HA GLU 54 -1.208 -11.755 5.738 451 HB2 GLU 54 HB2 GLU 54 -0.693 -9.457 4.706 452 HB3 GLU 54 HB3 GLU 54 -2.143 -10.263 4.193 453 HG2 GLU 54 HG2 GLU 54 -2.340 -7.781 4.612 454 HG3 GLU 54 HG3 GLU 54 -3.489 -8.872 5.395 455 H ASN 55 H ASN 55 0.739 -9.758 5.627 456 HA ASN 55 HA ASN 55 1.783 -9.543 8.377 457 HB2 ASN 55 HB2 ASN 55 3.395 -10.451 5.954 458 HB3 ASN 55 HB3 ASN 55 3.970 -10.251 7.583 459 HD21 ASN 55 HD21 ASN 55 3.971 -12.033 8.920 460 HD22 ASN 55 HD22 ASN 55 2.969 -13.443 8.717 461 H VAL 56 H VAL 56 0.396 -7.441 6.401 462 HA VAL 56 HA VAL 56 2.664 -6.101 5.247 463 HB VAL 56 HB VAL 56 -0.235 -5.325 5.305 464 HG11 VAL 56 HG11 VAL 56 2.043 -4.148 3.982 465 HG12 VAL 56 HG12 VAL 56 0.377 -3.984 3.336 466 HG13 VAL 56 HG13 VAL 56 0.711 -3.451 4.963 467 HG21 VAL 56 HG21 VAL 56 -0.310 -5.918 2.975 468 HG22 VAL 56 HG22 VAL 56 1.336 -6.543 3.041 469 HG23 VAL 56 HG23 VAL 56 0.012 -7.359 3.945 470 H ASN 57 H ASN 57 2.908 -3.771 5.729 471 HA ASN 57 HA ASN 57 2.730 -3.108 8.626 472 HB2 ASN 57 HB2 ASN 57 5.047 -3.378 7.336 473 HB3 ASN 57 HB3 ASN 57 4.623 -1.845 6.592 474 HD21 ASN 57 HD21 ASN 57 5.907 -3.440 9.437 475 HD22 ASN 57 HD22 ASN 57 6.087 -1.970 10.344 476 H ALA 58 H ALA 58 2.062 -2.231 5.218 477 HA ALA 58 HA ALA 58 0.956 0.368 6.061 478 HB1 ALA 58 HB1 ALA 58 2.356 1.383 4.311 479 HB2 ALA 58 HB2 ALA 58 3.325 0.679 5.572 480 HB3 ALA 58 HB3 ALA 58 3.177 -0.176 3.987 481 H ILE 59 H ILE 59 -0.359 1.407 4.339 482 HA ILE 59 HA ILE 59 -0.599 -0.214 1.865 483 HB ILE 59 HB ILE 59 -2.901 1.221 3.265 484 HG12 ILE 59 HG12 ILE 59 -2.526 -1.746 2.794 485 HG13 ILE 59 HG13 ILE 59 -2.233 -0.975 4.318 486 HG21 ILE 59 HG21 ILE 59 -4.203 0.163 1.364 487 HG22 ILE 59 HG22 ILE 59 -3.014 1.332 0.830 488 HG23 ILE 59 HG23 ILE 59 -2.665 -0.431 0.686 489 HD11 ILE 59 HD11 ILE 59 -4.951 -1.052 2.948 490 HD12 ILE 59 HD12 ILE 59 -4.442 -2.012 4.347 491 HD13 ILE 59 HD13 ILE 59 -4.576 -0.240 4.486 492 H ILE 60 H ILE 60 0.146 1.245 0.196 493 HA ILE 60 HA ILE 60 0.052 4.185 0.567 494 HB ILE 60 HB ILE 60 1.056 2.546 -1.799 495 HG12 ILE 60 HG12 ILE 60 2.617 3.862 0.435 496 HG13 ILE 60 HG13 ILE 60 2.460 2.112 0.162 497 HG21 ILE 60 HG21 ILE 60 2.060 4.653 -2.594 498 HG22 ILE 60 HG22 ILE 60 0.341 4.941 -2.313 499 HG23 ILE 60 HG23 ILE 60 1.530 5.491 -1.116 500 HD11 ILE 60 HD11 ILE 60 3.689 2.476 -2.042 501 HD12 ILE 60 HD12 ILE 60 4.023 4.120 -1.476 502 HD13 ILE 60 HD13 ILE 60 4.625 2.738 -0.561 503 H CYS 61 H CYS 61 -1.750 5.345 -0.356 504 HA CYS 61 HA CYS 61 -2.983 4.212 -2.747 505 HB2 CYS 61 HB2 CYS 61 -5.306 4.629 -1.911 506 HB3 CYS 61 HB3 CYS 61 -4.500 3.253 -1.193 507 HG CYS 61 HG CYS 61 -4.737 6.328 0.068 508 H LYS 62 H LYS 62 -4.522 5.766 -3.781 509 HA LYS 62 HA LYS 62 -3.498 8.559 -3.579 510 HB2 LYS 62 HB2 LYS 62 -4.816 6.888 -5.686 511 HB3 LYS 62 HB3 LYS 62 -5.320 8.575 -5.590 512 HG2 LYS 62 HG2 LYS 62 -2.981 9.323 -5.785 513 HG3 LYS 62 HG3 LYS 62 -2.465 7.640 -6.002 514 HD2 LYS 62 HD2 LYS 62 -3.815 7.440 -8.029 515 HD3 LYS 62 HD3 LYS 62 -4.596 8.995 -7.712 516 HE2 LYS 62 HE2 LYS 62 -2.326 10.097 -7.895 517 HE3 LYS 62 HE3 LYS 62 -1.672 8.546 -8.446 518 HZ1 LYS 62 HZ1 LYS 62 -3.853 10.070 -9.760 519 HZ2 LYS 62 HZ2 LYS 62 -3.247 8.628 -10.271 520 HZ3 LYS 62 HZ3 LYS 62 -2.291 9.933 -10.317 521 H ASN 63 H ASN 63 -6.432 6.676 -2.787 522 HA ASN 63 HA ASN 63 -7.340 8.722 -1.124 523 HB2 ASN 63 HB2 ASN 63 -8.765 8.451 -3.725 524 HB3 ASN 63 HB3 ASN 63 -9.728 8.597 -2.277 525 HD21 ASN 63 HD21 ASN 63 -8.421 10.472 -4.683 526 HD22 ASN 63 HD22 ASN 63 -7.941 11.890 -3.773 527 H ILE 64 H ILE 64 -9.111 7.909 0.088 528 HA ILE 64 HA ILE 64 -9.886 5.075 -0.132 529 HB ILE 64 HB ILE 64 -7.839 4.800 0.950 530 HG12 ILE 64 HG12 ILE 64 -9.981 4.690 3.100 531 HG13 ILE 64 HG13 ILE 64 -9.836 3.533 1.778 532 HG21 ILE 64 HG21 ILE 64 -8.633 6.777 3.098 533 HG22 ILE 64 HG22 ILE 64 -7.077 5.923 2.948 534 HG23 ILE 64 HG23 ILE 64 -7.509 7.163 1.790 535 HD11 ILE 64 HD11 ILE 64 -7.630 2.853 2.570 536 HD12 ILE 64 HD12 ILE 64 -7.710 4.015 3.924 537 HD13 ILE 64 HD13 ILE 64 -8.835 2.646 3.833 538 H SER 65 H SER 65 -12.075 4.962 0.363 539 HA SER 65 HA SER 65 -13.683 7.061 1.224 540 HB2 SER 65 HB2 SER 65 -14.017 4.090 1.800 541 HB3 SER 65 HB3 SER 65 -15.321 5.270 1.653 542 HG SER 65 HG SER 65 -15.100 4.028 -0.210 543 H GLU 66 H GLU 66 -14.604 7.612 3.350 544 HA GLU 66 HA GLU 66 -12.722 7.503 5.426 545 HB2 GLU 66 HB2 GLU 66 -14.654 9.196 5.067 546 HB3 GLU 66 HB3 GLU 66 -15.703 8.011 5.846 547 HG2 GLU 66 HG2 GLU 66 -13.392 8.285 7.538 548 HG3 GLU 66 HG3 GLU 66 -13.762 9.898 6.973 549 H GLU 67 H GLU 67 -15.581 5.495 4.855 550 HA GLU 67 HA GLU 67 -15.497 4.145 7.360 551 HB2 GLU 67 HB2 GLU 67 -17.288 4.140 5.369 552 HB3 GLU 67 HB3 GLU 67 -16.423 2.692 4.875 553 HG2 GLU 67 HG2 GLU 67 -16.633 1.938 7.361 554 HG3 GLU 67 HG3 GLU 67 -17.813 3.241 7.528 555 H ASN 68 H ASN 68 -14.115 3.227 4.161 556 HA ASN 68 HA ASN 68 -12.762 0.874 5.031 557 HB2 ASN 68 HB2 ASN 68 -12.426 2.714 2.668 558 HB3 ASN 68 HB3 ASN 68 -11.070 1.692 3.095 559 HD21 ASN 68 HD21 ASN 68 -13.043 1.593 0.711 560 HD22 ASN 68 HD22 ASN 68 -13.492 -0.069 0.674 561 H TYR 69 H TYR 69 -11.696 4.317 4.990 562 HA TYR 69 HA TYR 69 -9.039 3.833 5.818 563 HB2 TYR 69 HB2 TYR 69 -9.812 6.034 5.019 564 HB3 TYR 69 HB3 TYR 69 -10.832 6.215 6.439 565 HD1 TYR 69 HD2 TYR 69 -7.328 5.975 5.256 566 HD2 TYR 69 HD1 TYR 69 -9.912 6.831 8.592 567 HE1 TYR 69 HE2 TYR 69 -5.417 6.822 6.468 568 HE2 TYR 69 HE1 TYR 69 -8.028 7.650 9.871 569 HH TYR 69 HH TYR 69 -4.822 8.172 8.449 570 H LYS 70 H LYS 70 -11.884 4.641 7.871 571 HA LYS 70 HA LYS 70 -10.424 4.233 10.311 572 HB2 LYS 70 HB2 LYS 70 -13.409 4.280 9.681 573 HB3 LYS 70 HB3 LYS 70 -12.767 4.145 11.326 574 HG2 LYS 70 HG2 LYS 70 -11.523 6.259 11.051 575 HG3 LYS 70 HG3 LYS 70 -12.126 6.405 9.391 576 HD2 LYS 70 HD2 LYS 70 -14.458 6.409 10.286 577 HD3 LYS 70 HD3 LYS 70 -13.812 6.501 11.930 578 HE2 LYS 70 HE2 LYS 70 -13.075 8.407 9.666 579 HE3 LYS 70 HE3 LYS 70 -14.416 8.702 10.750 580 HZ1 LYS 70 HZ1 LYS 70 -12.981 9.335 12.389 581 HZ2 LYS 70 HZ2 LYS 70 -12.024 9.657 11.130 582 HZ3 LYS 70 HZ3 LYS 70 -11.819 8.247 11.983 583 H LYS 71 H LYS 71 -12.002 1.996 8.104 584 HA LYS 71 HA LYS 71 -12.212 -0.144 9.987 585 HB2 LYS 71 HB2 LYS 71 -13.454 0.117 7.713 586 HB3 LYS 71 HB3 LYS 71 -11.924 -0.340 6.953 587 HG2 LYS 71 HG2 LYS 71 -13.591 -2.194 7.211 588 HG3 LYS 71 HG3 LYS 71 -12.024 -2.528 7.918 589 HD2 LYS 71 HD2 LYS 71 -13.946 -3.240 9.346 590 HD3 LYS 71 HD3 LYS 71 -12.888 -2.114 10.166 591 HE2 LYS 71 HE2 LYS 71 -14.431 -0.220 9.565 592 HE3 LYS 71 HE3 LYS 71 -15.479 -1.376 8.754 593 HZ1 LYS 71 HZ1 LYS 71 -16.389 -0.961 10.815 594 HZ2 LYS 71 HZ2 LYS 71 -14.963 -1.111 11.634 595 HZ3 LYS 71 HZ3 LYS 71 -15.732 -2.458 10.971 596 H PHE 72 H PHE 72 -9.684 0.903 7.718 597 HA PHE 72 HA PHE 72 -8.105 -1.521 8.299 598 HB2 PHE 72 HB2 PHE 72 -8.105 0.625 6.171 599 HB3 PHE 72 HB3 PHE 72 -6.653 -0.331 6.453 600 HD1 PHE 72 HD1 PHE 72 -6.745 -2.807 6.386 601 HD2 PHE 72 HD2 PHE 72 -10.044 -0.472 4.950 602 HE1 PHE 72 HE1 PHE 72 -7.573 -4.750 5.259 603 HE2 PHE 72 HE2 PHE 72 -10.876 -2.418 3.709 604 HZ PHE 72 HZ PHE 72 -9.640 -4.583 3.793 605 H SER 73 H SER 73 -8.221 1.774 9.357 606 HA SER 73 HA SER 73 -5.514 2.313 9.767 607 HB2 SER 73 HB2 SER 73 -6.394 4.038 11.369 608 HB3 SER 73 HB3 SER 73 -7.193 3.997 9.790 609 HG SER 73 HG SER 73 -8.622 4.125 11.664 610 H LYS 74 H LYS 74 -7.288 -0.037 11.544 611 HA LYS 74 HA LYS 74 -5.681 0.114 13.980 612 HB2 LYS 74 HB2 LYS 74 -7.578 -1.960 12.856 613 HB3 LYS 74 HB3 LYS 74 -6.631 -2.252 14.294 614 HG2 LYS 74 HG2 LYS 74 -8.053 0.346 14.392 615 HG3 LYS 74 HG3 LYS 74 -9.153 -1.004 14.155 616 HD2 LYS 74 HD2 LYS 74 -7.006 -0.948 16.296 617 HD3 LYS 74 HD3 LYS 74 -8.659 -0.385 16.564 618 HE2 LYS 74 HE2 LYS 74 -9.569 -2.607 16.063 619 HE3 LYS 74 HE3 LYS 74 -7.948 -3.201 15.675 620 HZ1 LYS 74 HZ1 LYS 74 -8.952 -2.431 18.343 621 HZ2 LYS 74 HZ2 LYS 74 -7.359 -2.617 18.027 622 HZ3 LYS 74 HZ3 LYS 74 -8.403 -3.880 17.822 623 H LYS 75 H LYS 75 -3.549 -0.047 13.582 624 HA LYS 75 HA LYS 75 -1.633 -1.204 13.678 625 HB2 LYS 75 HB2 LYS 75 -3.361 -3.060 14.382 626 HB3 LYS 75 HB3 LYS 75 -2.865 -3.785 12.850 627 HG2 LYS 75 HG2 LYS 75 -0.486 -3.758 13.659 628 HG3 LYS 75 HG3 LYS 75 -0.997 -2.874 15.100 629 HD2 LYS 75 HD2 LYS 75 -2.418 -4.787 15.765 630 HD3 LYS 75 HD3 LYS 75 -1.788 -5.735 14.405 631 HE2 LYS 75 HE2 LYS 75 0.258 -4.416 16.113 632 HE3 LYS 75 HE3 LYS 75 -0.739 -5.528 17.006 633 HZ1 LYS 75 HZ1 LYS 75 1.384 -6.345 15.878 634 HZ2 LYS 75 HZ2 LYS 75 0.462 -6.510 14.513 635 HZ3 LYS 75 HZ3 LYS 75 0.070 -7.290 15.935 636 H ILE 76 H ILE 76 -2.856 -0.090 11.242 637 HA ILE 76 HA ILE 76 -0.799 -1.050 9.313 638 HB ILE 76 HB ILE 76 -3.628 -0.310 8.455 639 HG12 ILE 76 HG12 ILE 76 -2.427 -3.046 8.958 640 HG13 ILE 76 HG13 ILE 76 -3.892 -2.399 9.637 641 HG21 ILE 76 HG21 ILE 76 -1.372 -1.660 6.914 642 HG22 ILE 76 HG22 ILE 76 -2.963 -1.115 6.310 643 HG23 ILE 76 HG23 ILE 76 -1.781 0.070 6.803 644 HD11 ILE 76 HD11 ILE 76 -3.719 -3.060 6.654 645 HD12 ILE 76 HD12 ILE 76 -4.080 -4.250 7.882 646 HD13 ILE 76 HD13 ILE 76 -5.148 -2.841 7.685 647 H GLU 77 H GLU 77 0.217 0.610 8.227 648 HA GLU 77 HA GLU 77 -0.548 3.394 8.873 649 HB2 GLU 77 HB2 GLU 77 2.081 2.192 8.020 650 HB3 GLU 77 HB3 GLU 77 1.745 3.929 8.205 651 HG2 GLU 77 HG2 GLU 77 0.977 3.591 10.507 652 HG3 GLU 77 HG3 GLU 77 1.319 1.870 10.420 653 H ILE 78 H ILE 78 -1.909 4.283 7.466 654 HA ILE 78 HA ILE 78 -1.803 3.420 4.661 655 HB ILE 78 HB ILE 78 -3.805 5.116 6.191 656 HG12 ILE 78 HG12 ILE 78 -4.887 2.598 5.208 657 HG13 ILE 78 HG13 ILE 78 -3.432 2.243 6.117 658 HG21 ILE 78 HG21 ILE 78 -5.329 4.624 4.168 659 HG22 ILE 78 HG22 ILE 78 -4.035 5.789 3.920 660 HG23 ILE 78 HG23 ILE 78 -3.849 4.136 3.324 661 HD11 ILE 78 HD11 ILE 78 -5.420 2.210 7.531 662 HD12 ILE 78 HD12 ILE 78 -4.346 3.534 8.046 663 HD13 ILE 78 HD13 ILE 78 -5.815 3.882 7.094 664 H TYR 79 H TYR 79 -0.586 4.526 3.232 665 HA TYR 79 HA TYR 79 0.281 7.297 3.911 666 HB2 TYR 79 HB2 TYR 79 1.505 5.073 2.274 667 HB3 TYR 79 HB3 TYR 79 2.069 6.727 2.233 668 HD1 TYR 79 HD2 TYR 79 1.478 3.918 4.694 669 HD2 TYR 79 HD1 TYR 79 3.612 7.512 3.770 670 HE1 TYR 79 HE2 TYR 79 3.204 3.332 6.408 671 HE2 TYR 79 HE1 TYR 79 5.387 6.924 5.401 672 HH TYR 79 HH TYR 79 6.257 4.595 6.336 673 H HIS 80 H HIS 80 0.289 8.832 2.269 674 HA HIS 80 HA HIS 80 -1.654 8.434 0.094 675 HB2 HIS 80 HB2 HIS 80 -1.324 10.613 1.617 676 HB3 HIS 80 HB3 HIS 80 0.025 10.925 0.545 677 HD1 HIS 80 HD1 HIS 80 -1.100 13.000 -0.634 678 HD2 HIS 80 HD2 HIS 80 -3.402 9.475 -0.704 679 HE1 HIS 80 HE1 HIS 80 -3.119 13.487 -2.111 680 H ALA 81 H ALA 81 -1.020 8.460 -2.059 681 HA ALA 81 HA ALA 81 1.789 8.063 -2.720 682 HB1 ALA 81 HB1 ALA 81 -0.034 6.955 -4.005 683 HB2 ALA 81 HB2 ALA 81 -0.615 8.551 -4.542 684 HB3 ALA 81 HB3 ALA 81 0.985 7.960 -5.040 685 H GLU 82 H GLU 82 2.898 9.521 -4.212 686 HA GLU 82 HA GLU 82 2.121 12.380 -4.180 687 HB2 GLU 82 HB2 GLU 82 4.674 10.792 -4.037 688 HB3 GLU 82 HB3 GLU 82 4.763 12.305 -4.918 689 HG2 GLU 82 HG2 GLU 82 3.692 12.029 -2.085 690 HG3 GLU 82 HG3 GLU 82 5.311 12.556 -2.535 691 H GLY 83 H GLY 83 1.591 9.897 -6.239 692 HA2 GLY 83 HA2 GLY 83 1.188 11.358 -8.586 693 HA3 GLY 83 HA3 GLY 83 2.845 10.755 -8.634 694 H ASP 84 H ASP 84 1.725 9.693 -10.509 695 HA ASP 84 HA ASP 84 0.363 7.157 -9.855 696 HB2 ASP 84 HB2 ASP 84 1.175 8.498 -12.449 697 HB3 ASP 84 HB3 ASP 84 0.406 6.922 -12.369 698 H ASP 85 H ASP 85 3.505 8.370 -10.024 699 HA ASP 85 HA ASP 85 4.881 6.173 -11.351 700 HB2 ASP 85 HB2 ASP 85 5.766 8.636 -10.985 701 HB3 ASP 85 HB3 ASP 85 6.161 8.108 -9.430 702 H VAL 86 H VAL 86 4.462 4.236 -10.383 703 HA VAL 86 HA VAL 86 4.417 3.662 -7.620 704 HB VAL 86 HB VAL 86 5.216 2.013 -10.051 705 HG11 VAL 86 HG11 VAL 86 4.959 -0.029 -8.610 706 HG12 VAL 86 HG12 VAL 86 6.402 0.928 -8.298 707 HG13 VAL 86 HG13 VAL 86 5.035 1.031 -7.173 708 HG21 VAL 86 HG21 VAL 86 2.840 2.704 -9.838 709 HG22 VAL 86 HG22 VAL 86 3.070 0.954 -9.730 710 HG23 VAL 86 HG23 VAL 86 2.762 1.895 -8.254 711 H ASP 87 H ASP 87 7.248 4.079 -9.800 712 HA ASP 87 HA ASP 87 9.083 2.869 -7.946 713 HB2 ASP 87 HB2 ASP 87 9.568 4.587 -10.422 714 HB3 ASP 87 HB3 ASP 87 10.813 3.841 -9.472 715 H LYS 88 H LYS 88 8.133 6.243 -8.771 716 HA LYS 88 HA LYS 88 9.902 7.543 -6.884 717 HB2 LYS 88 HB2 LYS 88 8.340 8.670 -8.603 718 HB3 LYS 88 HB3 LYS 88 7.019 8.295 -7.536 719 HG2 LYS 88 HG2 LYS 88 7.793 10.629 -7.344 720 HG3 LYS 88 HG3 LYS 88 7.806 9.769 -5.808 721 HD2 LYS 88 HD2 LYS 88 10.144 9.771 -5.672 722 HD3 LYS 88 HD3 LYS 88 10.330 9.863 -7.438 723 HE2 LYS 88 HE2 LYS 88 11.036 11.953 -6.672 724 HE3 LYS 88 HE3 LYS 88 9.435 12.232 -7.361 725 HZ1 LYS 88 HZ1 LYS 88 9.738 13.375 -5.264 726 HZ2 LYS 88 HZ2 LYS 88 10.100 11.996 -4.490 727 HZ3 LYS 88 HZ3 LYS 88 8.578 12.260 -5.087 728 H ASN 89 H ASN 89 6.657 6.162 -6.511 729 HA ASN 89 HA ASN 89 6.437 7.071 -3.789 730 HB2 ASN 89 HB2 ASN 89 4.825 5.319 -5.638 731 HB3 ASN 89 HB3 ASN 89 4.372 5.465 -3.935 732 HD21 ASN 89 HD21 ASN 89 4.674 7.247 -6.980 733 HD22 ASN 89 HD22 ASN 89 4.127 8.790 -6.430 734 H ILE 90 H ILE 90 7.579 4.045 -5.191 735 HA ILE 90 HA ILE 90 7.693 2.513 -2.738 736 HB ILE 90 HB ILE 90 9.040 2.342 -5.451 737 HG12 ILE 90 HG12 ILE 90 7.108 0.425 -4.037 738 HG13 ILE 90 HG13 ILE 90 6.676 1.581 -5.269 739 HG21 ILE 90 HG21 ILE 90 10.144 0.240 -4.783 740 HG22 ILE 90 HG22 ILE 90 10.692 1.516 -3.746 741 HG23 ILE 90 HG23 ILE 90 9.478 0.379 -3.137 742 HD11 ILE 90 HD11 ILE 90 8.433 -0.867 -5.633 743 HD12 ILE 90 HD12 ILE 90 6.843 -0.554 -6.316 744 HD13 ILE 90 HD13 ILE 90 8.237 0.407 -6.864 745 H SER 91 H SER 91 10.149 4.507 -4.575 746 HA SER 91 HA SER 91 12.130 4.001 -2.603 747 HB2 SER 91 HB2 SER 91 13.400 5.765 -3.810 748 HB3 SER 91 HB3 SER 91 12.779 4.463 -4.823 749 HG SER 91 HG SER 91 11.324 5.745 -5.718 750 H LEU 92 H LEU 92 9.791 6.665 -2.955 751 HA LEU 92 HA LEU 92 10.771 8.256 -0.762 752 HB2 LEU 92 HB2 LEU 92 7.990 7.905 -1.958 753 HB3 LEU 92 HB3 LEU 92 8.355 9.058 -0.687 754 HG LEU 92 HG LEU 92 9.575 9.189 -3.456 755 HD11 LEU 92 HD11 LEU 92 7.997 11.097 -3.703 756 HD12 LEU 92 HD12 LEU 92 7.379 10.807 -2.086 757 HD13 LEU 92 HD13 LEU 92 7.124 9.606 -3.373 758 HD21 LEU 92 HD21 LEU 92 10.357 11.416 -2.758 759 HD22 LEU 92 HD22 LEU 92 11.059 10.168 -1.745 760 HD23 LEU 92 HD23 LEU 92 9.716 11.154 -1.137 761 H PHE 93 H PHE 93 8.452 5.523 -0.897 762 HA PHE 93 HA PHE 93 7.627 5.631 1.828 763 HB2 PHE 93 HB2 PHE 93 6.364 4.391 0.254 764 HB3 PHE 93 HB3 PHE 93 7.731 3.492 -0.309 765 HD1 PHE 93 HD1 PHE 93 5.859 4.003 2.912 766 HD2 PHE 93 HD2 PHE 93 8.117 1.336 0.416 767 HE1 PHE 93 HE1 PHE 93 5.243 2.103 4.391 768 HE2 PHE 93 HE2 PHE 93 7.357 -0.595 1.787 769 HZ PHE 93 HZ PHE 93 5.902 -0.209 3.766 770 H ILE 94 H ILE 94 10.422 4.100 0.285 771 HA ILE 94 HA ILE 94 11.202 2.479 2.473 772 HB ILE 94 HB ILE 94 12.870 3.825 0.318 773 HG12 ILE 94 HG12 ILE 94 12.261 0.857 0.616 774 HG13 ILE 94 HG13 ILE 94 11.122 1.913 -0.180 775 HG21 ILE 94 HG21 ILE 94 14.697 2.224 0.867 776 HG22 ILE 94 HG22 ILE 94 14.414 3.382 2.162 777 HG23 ILE 94 HG23 ILE 94 13.784 1.716 2.313 778 HD11 ILE 94 HD11 ILE 94 13.685 2.490 -1.343 779 HD12 ILE 94 HD12 ILE 94 13.483 0.742 -1.290 780 HD13 ILE 94 HD13 ILE 94 12.269 1.749 -2.092 781 H GLU 95 H GLU 95 12.041 5.897 1.701 782 HA GLU 95 HA GLU 95 13.505 6.349 4.172 783 HB2 GLU 95 HB2 GLU 95 12.583 7.938 1.784 784 HB3 GLU 95 HB3 GLU 95 12.907 8.849 3.251 785 HG2 GLU 95 HG2 GLU 95 15.001 6.839 2.494 786 HG3 GLU 95 HG3 GLU 95 14.809 8.204 1.419 787 H GLY 96 H GLY 96 10.137 6.270 3.372 788 HA2 GLY 96 HA2 GLY 96 8.302 6.548 4.788 789 HA3 GLY 96 HA3 GLY 96 9.373 7.142 6.069 790 H GLU 97 H GLU 97 9.892 8.726 3.005 791 HA GLU 97 HA GLU 97 9.173 11.263 3.938 792 HB2 GLU 97 HB2 GLU 97 10.683 10.030 1.926 793 HB3 GLU 97 HB3 GLU 97 9.402 10.791 1.013 794 HG2 GLU 97 HG2 GLU 97 10.923 12.370 3.122 795 HG3 GLU 97 HG3 GLU 97 11.670 11.963 1.576 796 H LEU 98 H LEU 98 7.233 8.795 2.498 797 HA LEU 98 HA LEU 98 5.228 10.559 1.279 798 HB2 LEU 98 HB2 LEU 98 5.116 7.656 2.168 799 HB3 LEU 98 HB3 LEU 98 3.743 8.516 1.465 800 HG LEU 98 HG LEU 98 6.373 7.868 0.099 801 HD11 LEU 98 HD11 LEU 98 4.982 6.396 -1.271 802 HD12 LEU 98 HD12 LEU 98 3.525 6.913 -0.412 803 HD13 LEU 98 HD13 LEU 98 4.773 5.989 0.440 804 HD21 LEU 98 HD21 LEU 98 5.277 8.748 -1.973 805 HD22 LEU 98 HD22 LEU 98 5.595 10.016 -0.795 806 HD23 LEU 98 HD23 LEU 98 3.951 9.379 -0.987 807 H SER 99 H SER 99 3.430 11.362 2.080 808 HA SER 99 HA SER 99 3.147 11.857 4.893 809 HB2 SER 99 HB2 SER 99 1.474 12.215 2.370 810 HB3 SER 99 HB3 SER 99 0.852 12.656 3.986 811 HG SER 99 HG SER 99 2.450 14.058 4.272 812 H LYS 100 H LYS 100 2.282 10.610 6.353 813 HA LYS 100 HA LYS 100 0.612 8.258 5.652 814 HB2 LYS 100 HB2 LYS 100 1.470 9.393 8.335 815 HB3 LYS 100 HB3 LYS 100 0.446 7.966 8.054 816 HG2 LYS 100 HG2 LYS 100 2.190 6.773 6.960 817 HG3 LYS 100 HG3 LYS 100 3.251 8.175 6.935 818 HD2 LYS 100 HD2 LYS 100 3.937 6.596 8.633 819 HD3 LYS 100 HD3 LYS 100 3.515 8.148 9.338 820 HE2 LYS 100 HE2 LYS 100 1.643 5.738 9.275 821 HE3 LYS 100 HE3 LYS 100 2.768 6.069 10.592 822 HZ1 LYS 100 HZ1 LYS 100 0.733 6.932 11.260 823 HZ2 LYS 100 HZ2 LYS 100 0.406 7.682 9.851 824 HZ3 LYS 100 HZ3 LYS 100 1.600 8.258 10.834 825 H ILE 101 H ILE 101 -1.608 8.432 5.593 826 HA ILE 101 HA ILE 101 -2.590 11.144 5.496 827 HB ILE 101 HB ILE 101 -3.911 8.433 5.118 828 HG12 ILE 101 HG12 ILE 101 -3.386 10.498 2.960 829 HG13 ILE 101 HG13 ILE 101 -2.072 9.441 3.460 830 HG21 ILE 101 HG21 ILE 101 -5.043 11.234 4.722 831 HG22 ILE 101 HG22 ILE 101 -5.707 9.823 3.917 832 HG23 ILE 101 HG23 ILE 101 -5.694 9.865 5.684 833 HD11 ILE 101 HD11 ILE 101 -4.763 8.345 2.578 834 HD12 ILE 101 HD12 ILE 101 -3.375 8.608 1.504 835 HD13 ILE 101 HD13 ILE 101 -3.243 7.468 2.839 836 H SER 102 H SER 102 -4.051 12.171 6.811 837 HA SER 102 HA SER 102 -4.598 10.943 9.492 838 HB2 SER 102 HB2 SER 102 -4.407 13.842 8.638 839 HB3 SER 102 HB3 SER 102 -5.022 13.301 10.206 840 HG SER 102 HG SER 102 -3.080 12.302 10.639 841 H ASN 103 H ASN 103 -6.295 12.952 6.911 842 HA ASN 103 HA ASN 103 -8.782 11.612 7.775 843 HB2 ASN 103 HB2 ASN 103 -8.465 14.536 7.181 844 HB3 ASN 103 HB3 ASN 103 -10.007 13.710 7.017 845 HD21 ASN 103 HD21 ASN 103 -9.680 15.852 8.876 846 HD22 ASN 103 HD22 ASN 103 -9.696 15.217 10.492 847 HA PRO 104 HA PRO 104 -8.767 10.750 3.387 848 HB2 PRO 104 HB2 PRO 104 -11.419 10.116 2.980 849 HB3 PRO 104 HB3 PRO 104 -10.321 9.070 3.908 850 HG2 PRO 104 HG2 PRO 104 -12.266 11.115 4.988 851 HG3 PRO 104 HG3 PRO 104 -11.989 9.429 5.518 852 HD2 PRO 104 HD2 PRO 104 -10.888 11.530 6.796 853 HD3 PRO 104 HD3 PRO 104 -10.026 9.961 6.673 Start of MODEL 17 1 H1 GLY -2 H GLY -2 21.217 0.548 11.144 2 HA2 GLY -2 HA2 GLY -2 19.124 1.254 9.962 3 HA3 GLY -2 HA3 GLY -2 20.576 1.219 8.928 4 H HIS -1 H HIS -1 18.992 0.965 7.197 5 HA HIS -1 HA HIS -1 17.847 -0.098 5.638 6 HB2 HIS -1 HB2 HIS -1 19.573 -2.371 6.590 7 HB3 HIS -1 HB3 HIS -1 18.265 -2.704 5.476 8 HD1 HIS -1 HD1 HIS -1 20.443 0.491 5.132 9 HD2 HIS -1 HD2 HIS -1 19.612 -3.239 3.348 10 HE1 HIS -1 HE1 HIS -1 21.432 0.567 2.795 11 H MET 1 H MET 1 16.248 -1.949 5.152 12 HA MET 1 HA MET 1 14.324 -2.054 7.433 13 HB2 MET 1 HB2 MET 1 13.679 -0.329 5.724 14 HB3 MET 1 HB3 MET 1 13.729 -1.637 4.495 15 HG2 MET 1 HG2 MET 1 11.414 -1.250 5.290 16 HG3 MET 1 HG3 MET 1 11.998 -2.858 5.731 17 HE1 MET 1 HE1 MET 1 9.500 -2.394 8.034 18 HE2 MET 1 HE2 MET 1 10.599 -3.572 7.273 19 HE3 MET 1 HE3 MET 1 10.769 -3.241 8.981 20 H ILE 2 H ILE 2 13.710 -4.120 7.869 21 HA ILE 2 HA ILE 2 13.953 -6.155 5.700 22 HB ILE 2 HB ILE 2 14.389 -6.615 8.673 23 HG12 ILE 2 HG12 ILE 2 16.521 -6.477 6.480 24 HG13 ILE 2 HG13 ILE 2 16.263 -5.240 7.712 25 HG21 ILE 2 HG21 ILE 2 14.778 -8.351 6.189 26 HG22 ILE 2 HG22 ILE 2 15.234 -8.839 7.826 27 HG23 ILE 2 HG23 ILE 2 13.541 -8.566 7.443 28 HD11 ILE 2 HD11 ILE 2 17.171 -8.083 8.276 29 HD12 ILE 2 HD12 ILE 2 18.111 -6.616 8.377 30 HD13 ILE 2 HD13 ILE 2 16.755 -6.860 9.505 31 H ASN 3 H ASN 3 12.227 -7.704 5.620 32 HA ASN 3 HA ASN 3 10.181 -8.466 5.747 33 HB2 ASN 3 HB2 ASN 3 11.285 -9.106 7.952 34 HB3 ASN 3 HB3 ASN 3 10.312 -7.845 8.711 35 HD21 ASN 3 HD21 ASN 3 10.201 -10.966 6.918 36 HD22 ASN 3 HD22 ASN 3 8.656 -11.440 7.601 37 H MET 4 H MET 4 10.285 -5.558 5.168 38 HA MET 4 HA MET 4 7.946 -4.303 6.430 39 HB2 MET 4 HB2 MET 4 9.880 -3.053 5.376 40 HB3 MET 4 HB3 MET 4 9.404 -3.722 3.838 41 HG2 MET 4 HG2 MET 4 8.660 -1.550 3.812 42 HG3 MET 4 HG3 MET 4 7.213 -2.499 4.101 43 HE1 MET 4 HE1 MET 4 8.409 1.182 6.214 44 HE2 MET 4 HE2 MET 4 9.846 0.153 6.218 45 HE3 MET 4 HE3 MET 4 9.025 0.550 4.699 46 H LYS 5 H LYS 5 5.872 -4.263 5.468 47 HA LYS 5 HA LYS 5 5.590 -5.437 2.775 48 HB2 LYS 5 HB2 LYS 5 3.901 -6.154 5.213 49 HB3 LYS 5 HB3 LYS 5 3.335 -6.277 3.560 50 HG2 LYS 5 HG2 LYS 5 4.306 -8.294 3.497 51 HG3 LYS 5 HG3 LYS 5 5.846 -7.497 3.613 52 HD2 LYS 5 HD2 LYS 5 5.687 -7.411 6.127 53 HD3 LYS 5 HD3 LYS 5 4.196 -8.392 6.008 54 HE2 LYS 5 HE2 LYS 5 5.551 -9.902 4.562 55 HE3 LYS 5 HE3 LYS 5 7.031 -9.080 5.125 56 HZ1 LYS 5 HZ1 LYS 5 6.619 -11.023 6.471 57 HZ2 LYS 5 HZ2 LYS 5 5.092 -10.535 6.843 58 HZ3 LYS 5 HZ3 LYS 5 6.393 -9.707 7.406 59 H VAL 6 H VAL 6 4.249 -4.328 1.497 60 HA VAL 6 HA VAL 6 2.470 -2.321 2.675 61 HB VAL 6 HB VAL 6 4.655 -1.781 0.628 62 HG11 VAL 6 HG11 VAL 6 3.728 0.438 0.265 63 HG12 VAL 6 HG12 VAL 6 2.596 -0.786 -0.287 64 HG13 VAL 6 HG13 VAL 6 2.309 0.042 1.266 65 HG21 VAL 6 HG21 VAL 6 5.446 -1.380 2.812 66 HG22 VAL 6 HG22 VAL 6 4.981 0.199 2.153 67 HG23 VAL 6 HG23 VAL 6 3.916 -0.624 3.306 68 H ALA 7 H ALA 7 0.565 -2.138 1.536 69 HA ALA 7 HA ALA 7 0.308 -3.760 -0.974 70 HB1 ALA 7 HB1 ALA 7 -1.847 -2.791 0.953 71 HB2 ALA 7 HB2 ALA 7 -2.109 -3.741 -0.524 72 HB3 ALA 7 HB3 ALA 7 -1.214 -4.448 0.836 73 H ILE 8 H ILE 8 0.694 -2.427 -2.759 74 HA ILE 8 HA ILE 8 -0.262 0.387 -2.677 75 HB ILE 8 HB ILE 8 1.420 -1.099 -4.744 76 HG12 ILE 8 HG12 ILE 8 2.221 0.816 -2.524 77 HG13 ILE 8 HG13 ILE 8 2.644 -0.888 -2.635 78 HG21 ILE 8 HG21 ILE 8 0.903 1.901 -4.471 79 HG22 ILE 8 HG22 ILE 8 1.820 1.075 -5.757 80 HG23 ILE 8 HG23 ILE 8 0.083 0.853 -5.647 81 HD11 ILE 8 HD11 ILE 8 4.545 0.457 -3.228 82 HD12 ILE 8 HD12 ILE 8 3.984 -0.413 -4.679 83 HD13 ILE 8 HD13 ILE 8 3.634 1.318 -4.471 84 H SER 9 H SER 9 -2.238 0.829 -3.606 85 HA SER 9 HA SER 9 -3.677 -1.368 -4.916 86 HB2 SER 9 HB2 SER 9 -5.476 0.401 -5.031 87 HB3 SER 9 HB3 SER 9 -4.918 -0.032 -3.414 88 HG SER 9 HG SER 9 -3.892 2.148 -4.907 89 H MET 10 H MET 10 -3.355 -1.816 -7.060 90 HA MET 10 HA MET 10 -2.430 0.386 -8.858 91 HB2 MET 10 HB2 MET 10 -2.117 -2.600 -9.210 92 HB3 MET 10 HB3 MET 10 -1.454 -1.344 -10.232 93 HG2 MET 10 HG2 MET 10 -0.365 -0.613 -7.824 94 HG3 MET 10 HG3 MET 10 -0.631 -2.380 -7.573 95 HE1 MET 10 HE1 MET 10 2.217 -0.675 -10.798 96 HE2 MET 10 HE2 MET 10 0.487 -0.858 -11.122 97 HE3 MET 10 HE3 MET 10 1.041 0.286 -9.873 98 H ASP 11 H ASP 11 -3.123 0.344 -10.990 99 HA ASP 11 HA ASP 11 -5.994 -0.492 -11.494 100 HB2 ASP 11 HB2 ASP 11 -4.941 1.982 -11.474 101 HB3 ASP 11 HB3 ASP 11 -4.096 1.538 -12.879 102 H VAL 12 H VAL 12 -2.824 -0.076 -13.168 103 HA VAL 12 HA VAL 12 -3.258 -2.651 -14.510 104 HB VAL 12 HB VAL 12 -2.725 -0.132 -16.144 105 HG11 VAL 12 HG11 VAL 12 -3.432 -2.957 -17.033 106 HG12 VAL 12 HG12 VAL 12 -3.078 -1.553 -18.059 107 HG13 VAL 12 HG13 VAL 12 -1.802 -2.223 -17.045 108 HG21 VAL 12 HG21 VAL 12 -5.053 0.062 -15.486 109 HG22 VAL 12 HG22 VAL 12 -4.885 -0.299 -17.186 110 HG23 VAL 12 HG23 VAL 12 -5.378 -1.589 -16.054 111 H ASP 13 H ASP 13 -1.229 0.165 -15.207 112 HA ASP 13 HA ASP 13 1.126 -1.362 -14.387 113 HB2 ASP 13 HB2 ASP 13 0.527 0.719 -16.505 114 HB3 ASP 13 HB3 ASP 13 2.174 0.545 -15.947 115 H LYS 14 H LYS 14 -0.730 0.975 -13.007 116 HA LYS 14 HA LYS 14 1.437 2.311 -11.535 117 HB2 LYS 14 HB2 LYS 14 0.164 4.530 -12.079 118 HB3 LYS 14 HB3 LYS 14 1.350 3.899 -13.188 119 HG2 LYS 14 HG2 LYS 14 -1.473 2.970 -13.715 120 HG3 LYS 14 HG3 LYS 14 -1.221 4.690 -13.863 121 HD2 LYS 14 HD2 LYS 14 0.489 2.705 -15.354 122 HD3 LYS 14 HD3 LYS 14 -0.948 3.535 -15.979 123 HE2 LYS 14 HE2 LYS 14 0.474 5.630 -14.871 124 HE3 LYS 14 HE3 LYS 14 1.789 4.576 -15.409 125 HZ1 LYS 14 HZ1 LYS 14 1.202 6.047 -17.168 126 HZ2 LYS 14 HZ2 LYS 14 -0.411 5.700 -17.002 127 HZ3 LYS 14 HZ3 LYS 14 0.622 4.560 -17.599 128 H ILE 15 H ILE 15 0.352 3.948 -9.952 129 HA ILE 15 HA ILE 15 -1.298 2.427 -8.166 130 HB ILE 15 HB ILE 15 -0.632 5.415 -8.114 131 HG12 ILE 15 HG12 ILE 15 1.012 3.116 -6.976 132 HG13 ILE 15 HG13 ILE 15 1.464 4.147 -8.335 133 HG21 ILE 15 HG21 ILE 15 -1.285 3.483 -5.832 134 HG22 ILE 15 HG22 ILE 15 -0.961 5.238 -5.682 135 HG23 ILE 15 HG23 ILE 15 -2.405 4.689 -6.525 136 HD11 ILE 15 HD11 ILE 15 1.234 5.054 -5.453 137 HD12 ILE 15 HD12 ILE 15 2.698 4.857 -6.422 138 HD13 ILE 15 HD13 ILE 15 1.534 6.121 -6.852 139 H SER 16 H SER 16 -3.569 2.388 -8.140 140 HA SER 16 HA SER 16 -5.003 3.791 -10.236 141 HB2 SER 16 HB2 SER 16 -5.659 1.507 -9.209 142 HB3 SER 16 HB3 SER 16 -6.346 2.457 -7.874 143 HG SER 16 HG SER 16 -8.004 2.285 -9.384 144 H ASN 17 H ASN 17 -7.098 4.908 -9.541 145 HA ASN 17 HA ASN 17 -6.304 7.423 -8.362 146 HB2 ASN 17 HB2 ASN 17 -8.240 6.730 -10.121 147 HB3 ASN 17 HB3 ASN 17 -9.231 6.839 -8.673 148 HD21 ASN 17 HD21 ASN 17 -9.556 9.067 -7.710 149 HD22 ASN 17 HD22 ASN 17 -9.207 10.375 -8.842 150 H SER 18 H SER 18 -7.966 4.527 -7.021 151 HA SER 18 HA SER 18 -7.436 5.643 -4.412 152 HB2 SER 18 HB2 SER 18 -9.775 5.089 -3.579 153 HB3 SER 18 HB3 SER 18 -9.638 6.511 -4.622 154 HG SER 18 HG SER 18 -11.107 5.601 -5.730 155 H PHE 19 H PHE 19 -8.088 3.905 -2.730 156 HA PHE 19 HA PHE 19 -6.752 1.433 -3.262 157 HB2 PHE 19 HB2 PHE 19 -6.867 2.554 -1.044 158 HB3 PHE 19 HB3 PHE 19 -8.600 2.350 -1.023 159 HD1 PHE 19 HD2 PHE 19 -9.647 0.135 -0.661 160 HD2 PHE 19 HD1 PHE 19 -5.360 0.647 -0.502 161 HE1 PHE 19 HE2 PHE 19 -9.437 -2.043 0.437 162 HE2 PHE 19 HE1 PHE 19 -5.156 -1.589 0.589 163 HZ PHE 19 HZ PHE 19 -7.180 -2.931 1.063 164 H GLU 20 H GLU 20 -10.164 2.464 -3.247 165 HA GLU 20 HA GLU 20 -11.121 -0.285 -3.245 166 HB2 GLU 20 HB2 GLU 20 -11.879 1.760 -1.877 167 HB3 GLU 20 HB3 GLU 20 -12.703 2.297 -3.295 168 HG2 GLU 20 HG2 GLU 20 -13.185 -0.518 -2.227 169 HG3 GLU 20 HG3 GLU 20 -13.776 0.848 -1.326 170 H ASP 21 H ASP 21 -11.048 2.513 -5.467 171 HA ASP 21 HA ASP 21 -12.185 1.120 -7.749 172 HB2 ASP 21 HB2 ASP 21 -12.179 3.650 -6.992 173 HB3 ASP 21 HB3 ASP 21 -10.623 3.719 -7.809 174 H CYS 22 H CYS 22 -9.855 -0.205 -6.595 175 HA CYS 22 HA CYS 22 -7.821 0.191 -8.756 176 HB2 CYS 22 HB2 CYS 22 -6.129 -0.596 -7.424 177 HB3 CYS 22 HB3 CYS 22 -7.064 0.432 -6.344 178 HG CYS 22 HG CYS 22 -8.177 -1.394 -4.982 179 H LYS 23 H LYS 23 -6.671 -1.891 -9.248 180 HA LYS 23 HA LYS 23 -8.705 -3.934 -10.025 181 HB2 LYS 23 HB2 LYS 23 -6.159 -2.853 -11.277 182 HB3 LYS 23 HB3 LYS 23 -6.718 -4.475 -11.659 183 HG2 LYS 23 HG2 LYS 23 -7.581 -2.978 -13.354 184 HG3 LYS 23 HG3 LYS 23 -8.801 -3.710 -12.380 185 HD2 LYS 23 HD2 LYS 23 -9.243 -1.598 -11.184 186 HD3 LYS 23 HD3 LYS 23 -8.029 -0.821 -12.219 187 HE2 LYS 23 HE2 LYS 23 -10.276 -0.430 -13.078 188 HE3 LYS 23 HE3 LYS 23 -9.344 -1.407 -14.209 189 HZ1 LYS 23 HZ1 LYS 23 -10.532 -3.359 -13.463 190 HZ2 LYS 23 HZ2 LYS 23 -11.607 -2.220 -13.904 191 HZ3 LYS 23 HZ3 LYS 23 -11.366 -2.508 -12.317 192 H TYR 24 H TYR 24 -5.588 -3.382 -8.308 193 HA TYR 24 HA TYR 24 -5.906 -5.856 -6.927 194 HB2 TYR 24 HB2 TYR 24 -3.993 -7.002 -7.759 195 HB3 TYR 24 HB3 TYR 24 -4.996 -6.680 -9.116 196 HD1 TYR 24 HD1 TYR 24 -4.393 -4.842 -10.733 197 HD2 TYR 24 HD2 TYR 24 -1.701 -6.387 -7.722 198 HE1 TYR 24 HE1 TYR 24 -2.447 -4.065 -12.067 199 HE2 TYR 24 HE2 TYR 24 0.109 -5.459 -8.713 200 HH TYR 24 HH TYR 24 -0.164 -3.837 -12.146 201 H PHE 25 H PHE 25 -3.809 -6.365 -5.734 202 HA PHE 25 HA PHE 25 -2.875 -3.881 -4.423 203 HB2 PHE 25 HB2 PHE 25 -3.494 -6.634 -3.313 204 HB3 PHE 25 HB3 PHE 25 -3.084 -5.205 -2.381 205 HD1 PHE 25 HD2 PHE 25 -4.715 -3.077 -3.247 206 HD2 PHE 25 HD1 PHE 25 -5.748 -7.234 -3.246 207 HE1 PHE 25 HE2 PHE 25 -7.116 -2.507 -2.673 208 HE2 PHE 25 HE1 PHE 25 -8.059 -6.725 -2.714 209 HZ PHE 25 HZ PHE 25 -8.757 -4.403 -2.194 210 H LEU 26 H LEU 26 -0.865 -3.634 -5.080 211 HA LEU 26 HA LEU 26 0.838 -5.933 -5.672 212 HB2 LEU 26 HB2 LEU 26 0.768 -3.843 -7.053 213 HB3 LEU 26 HB3 LEU 26 1.670 -3.029 -5.761 214 HG LEU 26 HG LEU 26 3.156 -3.613 -7.448 215 HD11 LEU 26 HD11 LEU 26 4.762 -4.959 -6.473 216 HD12 LEU 26 HD12 LEU 26 3.595 -6.084 -5.812 217 HD13 LEU 26 HD13 LEU 26 3.877 -4.384 -5.091 218 HD21 LEU 26 HD21 LEU 26 1.985 -6.433 -7.522 219 HD22 LEU 26 HD22 LEU 26 3.579 -6.001 -8.240 220 HD23 LEU 26 HD23 LEU 26 2.156 -5.226 -8.858 221 H ILE 27 H ILE 27 1.579 -6.953 -3.914 222 HA ILE 27 HA ILE 27 1.991 -5.656 -1.361 223 HB ILE 27 HB ILE 27 2.551 -8.561 -1.957 224 HG12 ILE 27 HG12 ILE 27 0.225 -8.174 -2.599 225 HG13 ILE 27 HG13 ILE 27 0.327 -9.081 -1.111 226 HG21 ILE 27 HG21 ILE 27 2.074 -6.983 0.585 227 HG22 ILE 27 HG22 ILE 27 2.224 -8.750 0.487 228 HG23 ILE 27 HG23 ILE 27 3.591 -7.717 0.054 229 HD11 ILE 27 HD11 ILE 27 -1.470 -7.389 -1.038 230 HD12 ILE 27 HD12 ILE 27 -0.250 -7.033 0.194 231 HD13 ILE 27 HD13 ILE 27 -0.311 -6.095 -1.314 232 H VAL 28 H VAL 28 3.731 -4.332 -1.525 233 HA VAL 28 HA VAL 28 6.300 -5.241 -2.612 234 HB VAL 28 HB VAL 28 5.725 -2.733 -1.007 235 HG11 VAL 28 HG11 VAL 28 7.857 -3.426 -3.083 236 HG12 VAL 28 HG12 VAL 28 7.720 -1.909 -2.177 237 HG13 VAL 28 HG13 VAL 28 8.087 -3.411 -1.324 238 HG21 VAL 28 HG21 VAL 28 5.595 -1.563 -3.192 239 HG22 VAL 28 HG22 VAL 28 5.509 -3.116 -4.023 240 HG23 VAL 28 HG23 VAL 28 4.208 -2.622 -2.910 241 H ARG 29 H ARG 29 6.765 -7.085 -1.412 242 HA ARG 29 HA ARG 29 7.457 -6.752 1.445 243 HB2 ARG 29 HB2 ARG 29 7.733 -8.973 -0.571 244 HB3 ARG 29 HB3 ARG 29 8.938 -8.868 0.717 245 HG2 ARG 29 HG2 ARG 29 7.063 -8.866 2.396 246 HG3 ARG 29 HG3 ARG 29 5.922 -9.153 1.059 247 HD2 ARG 29 HD2 ARG 29 7.413 -11.190 0.487 248 HD3 ARG 29 HD3 ARG 29 8.214 -10.904 2.038 249 HE ARG 29 HE ARG 29 5.334 -11.135 2.340 250 HH11 ARG 29 HH11 ARG 29 8.322 -13.000 2.001 251 HH12 ARG 29 HH12 ARG 29 7.645 -14.497 2.506 252 HH21 ARG 29 HH21 ARG 29 4.362 -13.168 3.025 253 HH22 ARG 29 HH22 ARG 29 5.345 -14.583 3.084 254 H ILE 30 H ILE 30 9.107 -5.469 1.952 255 HA ILE 30 HA ILE 30 11.469 -5.227 0.151 256 HB ILE 30 HB ILE 30 10.231 -3.259 2.069 257 HG12 ILE 30 HG12 ILE 30 11.456 -2.268 -0.427 258 HG13 ILE 30 HG13 ILE 30 10.111 -3.368 -0.655 259 HG21 ILE 30 HG21 ILE 30 13.124 -3.195 1.240 260 HG22 ILE 30 HG22 ILE 30 12.248 -1.823 1.945 261 HG23 ILE 30 HG23 ILE 30 12.475 -3.299 2.891 262 HD11 ILE 30 HD11 ILE 30 8.700 -1.986 0.869 263 HD12 ILE 30 HD12 ILE 30 10.059 -0.861 1.090 264 HD13 ILE 30 HD13 ILE 30 9.309 -1.039 -0.509 265 H ASP 31 H ASP 31 13.257 -6.162 1.034 266 HA ASP 31 HA ASP 31 13.114 -7.030 3.892 267 HB2 ASP 31 HB2 ASP 31 12.537 -8.780 1.925 268 HB3 ASP 31 HB3 ASP 31 14.299 -8.919 1.914 269 H ASP 32 H ASP 32 14.806 -5.157 1.854 270 HA ASP 32 HA ASP 32 17.016 -5.126 3.658 271 HB2 ASP 32 HB2 ASP 32 17.626 -6.983 1.886 272 HB3 ASP 32 HB3 ASP 32 17.808 -5.664 0.747 273 H ASN 33 H ASN 33 15.158 -3.309 3.185 274 HA ASN 33 HA ASN 33 14.717 -1.119 2.581 275 HB2 ASN 33 HB2 ASN 33 17.273 -1.086 3.476 276 HB3 ASN 33 HB3 ASN 33 17.553 -0.541 1.843 277 HD21 ASN 33 HD21 ASN 33 15.307 0.111 4.646 278 HD22 ASN 33 HD22 ASN 33 15.665 1.807 4.604 279 H GLU 34 H GLU 34 15.379 -3.381 0.371 280 HA GLU 34 HA GLU 34 14.686 -1.647 -1.888 281 HB2 GLU 34 HB2 GLU 34 16.031 -2.958 -3.361 282 HB3 GLU 34 HB3 GLU 34 17.051 -2.214 -2.129 283 HG2 GLU 34 HG2 GLU 34 17.551 -4.269 -1.111 284 HG3 GLU 34 HG3 GLU 34 16.104 -5.071 -1.709 285 H VAL 35 H VAL 35 13.732 -2.903 -3.650 286 HA VAL 35 HA VAL 35 11.601 -4.653 -2.961 287 HB VAL 35 HB VAL 35 11.391 -3.191 -4.844 288 HG11 VAL 35 HG11 VAL 35 13.775 -2.932 -5.522 289 HG12 VAL 35 HG12 VAL 35 13.677 -4.517 -6.322 290 HG13 VAL 35 HG13 VAL 35 12.651 -3.172 -6.843 291 HG21 VAL 35 HG21 VAL 35 10.307 -5.435 -4.961 292 HG22 VAL 35 HG22 VAL 35 10.564 -4.645 -6.530 293 HG23 VAL 35 HG23 VAL 35 11.627 -5.971 -6.029 294 H LYS 36 H LYS 36 11.627 -6.819 -2.694 295 HA LYS 36 HA LYS 36 13.931 -8.353 -3.861 296 HB2 LYS 36 HB2 LYS 36 11.996 -9.227 -1.691 297 HB3 LYS 36 HB3 LYS 36 13.291 -10.203 -2.384 298 HG2 LYS 36 HG2 LYS 36 13.594 -7.651 -0.732 299 HG3 LYS 36 HG3 LYS 36 13.956 -9.306 -0.241 300 HD2 LYS 36 HD2 LYS 36 15.808 -9.437 -1.831 301 HD3 LYS 36 HD3 LYS 36 15.439 -7.802 -2.422 302 HE2 LYS 36 HE2 LYS 36 15.969 -6.824 -0.277 303 HE3 LYS 36 HE3 LYS 36 16.296 -8.423 0.425 304 HZ1 LYS 36 HZ1 LYS 36 18.309 -7.126 -0.404 305 HZ2 LYS 36 HZ2 LYS 36 17.799 -7.342 -1.906 306 HZ3 LYS 36 HZ3 LYS 36 18.208 -8.635 -0.933 307 H SER 37 H SER 37 10.659 -9.602 -3.251 308 HA SER 37 HA SER 37 10.604 -10.376 -6.121 309 HB2 SER 37 HB2 SER 37 9.848 -11.728 -3.574 310 HB3 SER 37 HB3 SER 37 8.702 -11.936 -4.894 311 HG SER 37 HG SER 37 11.323 -12.931 -4.698 312 H THR 38 H THR 38 9.027 -8.283 -4.089 313 HA THR 38 HA THR 38 6.880 -7.448 -3.863 314 HB THR 38 HB THR 38 5.863 -6.903 -6.336 315 HG1 THR 38 HG1 THR 38 8.655 -6.894 -6.715 316 HG21 THR 38 HG21 THR 38 7.150 -4.757 -6.201 317 HG22 THR 38 HG22 THR 38 8.067 -5.440 -4.837 318 HG23 THR 38 HG23 THR 38 6.317 -5.211 -4.723 319 H LYS 39 H LYS 39 4.374 -7.752 -5.141 320 HA LYS 39 HA LYS 39 3.817 -10.449 -5.979 321 HB2 LYS 39 HB2 LYS 39 3.703 -9.908 -3.111 322 HB3 LYS 39 HB3 LYS 39 2.057 -9.977 -3.696 323 HG2 LYS 39 HG2 LYS 39 2.203 -12.092 -3.266 324 HG3 LYS 39 HG3 LYS 39 2.894 -12.264 -4.840 325 HD2 LYS 39 HD2 LYS 39 4.779 -11.568 -2.685 326 HD3 LYS 39 HD3 LYS 39 3.962 -13.072 -2.387 327 HE2 LYS 39 HE2 LYS 39 5.296 -12.648 -5.035 328 HE3 LYS 39 HE3 LYS 39 6.303 -12.982 -3.638 329 HZ1 LYS 39 HZ1 LYS 39 5.556 -15.107 -3.479 330 HZ2 LYS 39 HZ2 LYS 39 5.337 -14.921 -5.092 331 HZ3 LYS 39 HZ3 LYS 39 4.057 -14.787 -4.086 332 H VAL 40 H VAL 40 1.691 -10.293 -6.966 333 HA VAL 40 HA VAL 40 -0.139 -8.390 -5.884 334 HB VAL 40 HB VAL 40 0.112 -7.659 -7.654 335 HG11 VAL 40 HG11 VAL 40 1.617 -8.839 -8.769 336 HG12 VAL 40 HG12 VAL 40 0.560 -10.244 -9.064 337 HG13 VAL 40 HG13 VAL 40 0.223 -8.611 -9.846 338 HG21 VAL 40 HG21 VAL 40 -1.857 -8.332 -9.209 339 HG22 VAL 40 HG22 VAL 40 -1.922 -9.911 -8.436 340 HG23 VAL 40 HG23 VAL 40 -2.409 -8.456 -7.576 341 H ILE 41 H ILE 41 -2.163 -8.531 -5.293 342 HA ILE 41 HA ILE 41 -3.605 -11.101 -5.080 343 HB ILE 41 HB ILE 41 -3.709 -8.854 -3.014 344 HG12 ILE 41 HG12 ILE 41 -2.584 -11.639 -2.616 345 HG13 ILE 41 HG13 ILE 41 -1.606 -10.168 -2.752 346 HG21 ILE 41 HG21 ILE 41 -5.218 -10.324 -1.782 347 HG22 ILE 41 HG22 ILE 41 -5.844 -10.076 -3.401 348 HG23 ILE 41 HG23 ILE 41 -5.023 -11.601 -2.998 349 HD11 ILE 41 HD11 ILE 41 -1.782 -10.757 -0.438 350 HD12 ILE 41 HD12 ILE 41 -2.735 -9.281 -0.689 351 HD13 ILE 41 HD13 ILE 41 -3.534 -10.853 -0.491 352 H PHE 42 H PHE 42 -5.492 -10.787 -6.442 353 HA PHE 42 HA PHE 42 -5.928 -8.203 -7.648 354 HB2 PHE 42 HB2 PHE 42 -7.638 -10.706 -7.646 355 HB3 PHE 42 HB3 PHE 42 -7.984 -9.258 -8.566 356 HD1 PHE 42 HD1 PHE 42 -5.954 -8.338 -10.060 357 HD2 PHE 42 HD2 PHE 42 -6.594 -12.433 -8.893 358 HE1 PHE 42 HE1 PHE 42 -4.597 -9.088 -11.997 359 HE2 PHE 42 HE2 PHE 42 -5.277 -13.172 -10.851 360 HZ PHE 42 HZ PHE 42 -4.205 -11.501 -12.364 361 H ASN 43 H ASN 43 -7.959 -6.947 -7.570 362 HA ASN 43 HA ASN 43 -8.753 -6.408 -4.807 363 HB2 ASN 43 HB2 ASN 43 -8.197 -4.523 -6.226 364 HB3 ASN 43 HB3 ASN 43 -9.459 -4.988 -7.381 365 HD21 ASN 43 HD21 ASN 43 -10.480 -2.879 -7.049 366 HD22 ASN 43 HD22 ASN 43 -11.442 -2.532 -5.649 367 H ASP 44 H ASP 44 -9.587 -8.652 -4.806 368 HA ASP 44 HA ASP 44 -12.459 -8.740 -5.489 369 HB2 ASP 44 HB2 ASP 44 -10.724 -10.989 -4.390 370 HB3 ASP 44 HB3 ASP 44 -12.384 -11.084 -4.969 371 H GLU 45 H GLU 45 -13.734 -9.281 -3.466 372 HA GLU 45 HA GLU 45 -12.845 -7.996 -1.060 373 HB2 GLU 45 HB2 GLU 45 -15.162 -8.278 -1.244 374 HB3 GLU 45 HB3 GLU 45 -15.043 -9.984 -1.682 375 HG2 GLU 45 HG2 GLU 45 -15.958 -9.678 0.582 376 HG3 GLU 45 HG3 GLU 45 -14.489 -10.632 0.561 377 H SER 46 H SER 46 -12.550 -11.374 -2.224 378 HA SER 46 HA SER 46 -11.477 -12.278 0.349 379 HB2 SER 46 HB2 SER 46 -12.700 -13.639 -1.633 380 HB3 SER 46 HB3 SER 46 -11.061 -13.787 -2.270 381 HG SER 46 HG SER 46 -11.992 -14.648 0.296 382 H GLY 47 H GLY 47 -10.219 -10.590 -2.340 383 HA2 GLY 47 HA2 GLY 47 -7.413 -11.225 -1.911 384 HA3 GLY 47 HA3 GLY 47 -8.103 -9.863 -2.834 385 H LYS 48 H LYS 48 -9.511 -8.350 -1.303 386 HA LYS 48 HA LYS 48 -7.488 -7.085 0.323 387 HB2 LYS 48 HB2 LYS 48 -8.743 -5.244 0.262 388 HB3 LYS 48 HB3 LYS 48 -9.340 -6.102 -1.172 389 HG2 LYS 48 HG2 LYS 48 -11.219 -6.876 -0.187 390 HG3 LYS 48 HG3 LYS 48 -10.605 -6.262 1.419 391 HD2 LYS 48 HD2 LYS 48 -10.789 -3.960 0.544 392 HD3 LYS 48 HD3 LYS 48 -11.469 -4.607 -0.970 393 HE2 LYS 48 HE2 LYS 48 -13.386 -5.548 0.263 394 HE3 LYS 48 HE3 LYS 48 -12.685 -5.035 1.795 395 HZ1 LYS 48 HZ1 LYS 48 -13.698 -3.227 -0.304 396 HZ2 LYS 48 HZ2 LYS 48 -12.947 -2.744 1.120 397 HZ3 LYS 48 HZ3 LYS 48 -14.334 -3.543 1.201 398 H LYS 49 H LYS 49 -10.058 -9.304 1.194 399 HA LYS 49 HA LYS 49 -9.963 -8.959 4.003 400 HB2 LYS 49 HB2 LYS 49 -11.258 -10.816 4.133 401 HB3 LYS 49 HB3 LYS 49 -11.452 -10.499 2.455 402 HG2 LYS 49 HG2 LYS 49 -9.540 -12.065 2.042 403 HG3 LYS 49 HG3 LYS 49 -9.520 -12.409 3.770 404 HD2 LYS 49 HD2 LYS 49 -12.175 -12.717 2.439 405 HD3 LYS 49 HD3 LYS 49 -10.920 -13.818 1.887 406 HE2 LYS 49 HE2 LYS 49 -10.985 -13.608 4.826 407 HE3 LYS 49 HE3 LYS 49 -12.531 -14.146 4.135 408 HZ1 LYS 49 HZ1 LYS 49 -11.291 -15.785 2.852 409 HZ2 LYS 49 HZ2 LYS 49 -11.096 -16.051 4.466 410 HZ3 LYS 49 HZ3 LYS 49 -9.885 -15.369 3.634 411 H SER 50 H SER 50 -7.715 -10.638 1.807 412 HA SER 50 HA SER 50 -6.327 -12.076 3.867 413 HB2 SER 50 HB2 SER 50 -5.567 -11.444 0.962 414 HB3 SER 50 HB3 SER 50 -4.803 -12.631 2.002 415 HG SER 50 HG SER 50 -7.374 -12.733 0.814 416 H ILE 51 H ILE 51 -5.911 -8.946 2.286 417 HA ILE 51 HA ILE 51 -3.306 -8.287 3.058 418 HB ILE 51 HB ILE 51 -5.813 -6.551 2.837 419 HG12 ILE 51 HG12 ILE 51 -3.652 -7.238 0.785 420 HG13 ILE 51 HG13 ILE 51 -5.325 -7.792 0.757 421 HG21 ILE 51 HG21 ILE 51 -3.921 -5.382 4.013 422 HG22 ILE 51 HG22 ILE 51 -2.942 -5.586 2.545 423 HG23 ILE 51 HG23 ILE 51 -4.467 -4.617 2.561 424 HD11 ILE 51 HD11 ILE 51 -6.039 -5.349 0.593 425 HD12 ILE 51 HD12 ILE 51 -4.315 -4.964 0.294 426 HD13 ILE 51 HD13 ILE 51 -5.179 -6.055 -0.776 427 H VAL 52 H VAL 52 -6.378 -8.020 4.928 428 HA VAL 52 HA VAL 52 -5.284 -6.685 7.186 429 HB VAL 52 HB VAL 52 -7.636 -8.629 7.017 430 HG11 VAL 52 HG11 VAL 52 -8.445 -7.212 9.019 431 HG12 VAL 52 HG12 VAL 52 -7.146 -8.380 9.340 432 HG13 VAL 52 HG13 VAL 52 -6.765 -6.663 9.149 433 HG21 VAL 52 HG21 VAL 52 -7.908 -6.689 5.480 434 HG22 VAL 52 HG22 VAL 52 -9.031 -6.600 6.831 435 HG23 VAL 52 HG23 VAL 52 -7.573 -5.588 6.840 436 H LYS 53 H LYS 53 -4.925 -10.053 6.178 437 HA LYS 53 HA LYS 53 -4.233 -10.901 8.917 438 HB2 LYS 53 HB2 LYS 53 -4.410 -12.593 6.398 439 HB3 LYS 53 HB3 LYS 53 -4.529 -13.120 8.074 440 HG2 LYS 53 HG2 LYS 53 -6.567 -11.542 6.460 441 HG3 LYS 53 HG3 LYS 53 -6.724 -13.202 6.984 442 HD2 LYS 53 HD2 LYS 53 -6.498 -10.902 8.986 443 HD3 LYS 53 HD3 LYS 53 -8.020 -11.385 8.274 444 HE2 LYS 53 HE2 LYS 53 -6.485 -13.699 9.249 445 HE3 LYS 53 HE3 LYS 53 -6.782 -12.512 10.526 446 HZ1 LYS 53 HZ1 LYS 53 -8.913 -13.592 8.776 447 HZ2 LYS 53 HZ2 LYS 53 -9.121 -12.687 10.139 448 HZ3 LYS 53 HZ3 LYS 53 -8.562 -14.206 10.258 449 H GLU 54 H GLU 54 -2.848 -10.284 5.759 450 HA GLU 54 HA GLU 54 -0.494 -11.736 5.914 451 HB2 GLU 54 HB2 GLU 54 0.136 -10.568 4.026 452 HB3 GLU 54 HB3 GLU 54 -1.592 -10.438 3.973 453 HG2 GLU 54 HG2 GLU 54 -1.265 -8.254 3.640 454 HG3 GLU 54 HG3 GLU 54 -0.811 -8.110 5.328 455 H ASN 55 H ASN 55 -1.335 -8.802 7.553 456 HA ASN 55 HA ASN 55 -0.447 -7.632 9.198 457 HB2 ASN 55 HB2 ASN 55 0.709 -10.054 9.676 458 HB3 ASN 55 HB3 ASN 55 2.128 -9.047 9.557 459 HD21 ASN 55 HD21 ASN 55 2.639 -7.871 11.463 460 HD22 ASN 55 HD22 ASN 55 1.591 -7.821 12.879 461 H VAL 56 H VAL 56 -0.364 -6.674 6.712 462 HA VAL 56 HA VAL 56 1.965 -5.480 5.672 463 HB VAL 56 HB VAL 56 -0.458 -3.726 6.094 464 HG11 VAL 56 HG11 VAL 56 -0.142 -3.193 3.721 465 HG12 VAL 56 HG12 VAL 56 1.329 -2.960 4.662 466 HG13 VAL 56 HG13 VAL 56 1.170 -4.394 3.631 467 HG21 VAL 56 HG21 VAL 56 -1.625 -5.844 5.673 468 HG22 VAL 56 HG22 VAL 56 -1.828 -4.638 4.422 469 HG23 VAL 56 HG23 VAL 56 -0.726 -5.988 4.124 470 H ASN 57 H ASN 57 2.993 -3.538 5.977 471 HA ASN 57 HA ASN 57 3.098 -2.493 8.747 472 HB2 ASN 57 HB2 ASN 57 5.028 -2.999 6.664 473 HB3 ASN 57 HB3 ASN 57 4.903 -1.299 6.789 474 HD21 ASN 57 HD21 ASN 57 5.868 -0.263 8.759 475 HD22 ASN 57 HD22 ASN 57 6.591 -1.310 9.959 476 H ALA 58 H ALA 58 2.467 -1.522 5.309 477 HA ALA 58 HA ALA 58 0.911 0.760 6.267 478 HB1 ALA 58 HB1 ALA 58 3.171 1.655 6.245 479 HB2 ALA 58 HB2 ALA 58 3.473 0.997 4.632 480 HB3 ALA 58 HB3 ALA 58 2.308 2.304 4.825 481 H ILE 59 H ILE 59 -0.329 1.841 4.495 482 HA ILE 59 HA ILE 59 -0.490 0.274 1.939 483 HB ILE 59 HB ILE 59 -2.640 1.713 3.550 484 HG12 ILE 59 HG12 ILE 59 -2.385 -1.150 2.537 485 HG13 ILE 59 HG13 ILE 59 -1.998 -0.641 4.155 486 HG21 ILE 59 HG21 ILE 59 -4.254 1.201 1.747 487 HG22 ILE 59 HG22 ILE 59 -3.017 2.294 1.175 488 HG23 ILE 59 HG23 ILE 59 -2.931 0.579 0.728 489 HD11 ILE 59 HD11 ILE 59 -4.160 -1.638 4.233 490 HD12 ILE 59 HD12 ILE 59 -4.348 0.104 4.514 491 HD13 ILE 59 HD13 ILE 59 -4.774 -0.602 2.929 492 H ILE 60 H ILE 60 -0.422 1.479 0.042 493 HA ILE 60 HA ILE 60 -0.117 4.428 0.273 494 HB ILE 60 HB ILE 60 1.338 2.604 -1.676 495 HG12 ILE 60 HG12 ILE 60 2.376 4.103 0.783 496 HG13 ILE 60 HG13 ILE 60 2.246 2.362 0.637 497 HG21 ILE 60 HG21 ILE 60 2.555 4.638 -2.353 498 HG22 ILE 60 HG22 ILE 60 0.832 4.864 -2.573 499 HG23 ILE 60 HG23 ILE 60 1.644 5.605 -1.172 500 HD11 ILE 60 HD11 ILE 60 4.182 4.122 -0.897 501 HD12 ILE 60 HD12 ILE 60 4.536 2.963 0.388 502 HD13 ILE 60 HD13 ILE 60 3.947 2.378 -1.180 503 H CYS 61 H CYS 61 -1.765 5.406 -0.755 504 HA CYS 61 HA CYS 61 -2.652 4.480 -3.354 505 HB2 CYS 61 HB2 CYS 61 -5.118 4.718 -2.607 506 HB3 CYS 61 HB3 CYS 61 -4.283 3.240 -2.205 507 HG CYS 61 HG CYS 61 -4.863 5.850 -0.304 508 H LYS 62 H LYS 62 -4.251 6.144 -4.221 509 HA LYS 62 HA LYS 62 -3.427 8.901 -3.447 510 HB2 LYS 62 HB2 LYS 62 -4.999 7.722 -5.749 511 HB3 LYS 62 HB3 LYS 62 -5.179 9.425 -5.305 512 HG2 LYS 62 HG2 LYS 62 -2.675 9.681 -5.516 513 HG3 LYS 62 HG3 LYS 62 -2.621 8.025 -6.177 514 HD2 LYS 62 HD2 LYS 62 -4.185 8.686 -7.966 515 HD3 LYS 62 HD3 LYS 62 -4.316 10.316 -7.285 516 HE2 LYS 62 HE2 LYS 62 -1.927 10.716 -7.655 517 HE3 LYS 62 HE3 LYS 62 -1.720 9.067 -8.306 518 HZ1 LYS 62 HZ1 LYS 62 -2.824 9.573 -10.168 519 HZ2 LYS 62 HZ2 LYS 62 -2.101 10.992 -9.939 520 HZ3 LYS 62 HZ3 LYS 62 -3.730 10.787 -9.561 521 H ASN 63 H ASN 63 -6.387 6.767 -3.281 522 HA ASN 63 HA ASN 63 -7.361 8.541 -1.167 523 HB2 ASN 63 HB2 ASN 63 -8.789 8.267 -3.800 524 HB3 ASN 63 HB3 ASN 63 -9.683 8.479 -2.305 525 HD21 ASN 63 HD21 ASN 63 -7.991 10.218 -4.796 526 HD22 ASN 63 HD22 ASN 63 -7.913 11.719 -3.910 527 H ILE 64 H ILE 64 -9.092 7.553 -0.016 528 HA ILE 64 HA ILE 64 -9.547 4.590 -0.391 529 HB ILE 64 HB ILE 64 -7.568 5.050 0.991 530 HG12 ILE 64 HG12 ILE 64 -9.848 3.837 2.583 531 HG13 ILE 64 HG13 ILE 64 -8.851 3.001 1.393 532 HG21 ILE 64 HG21 ILE 64 -8.531 7.257 1.937 533 HG22 ILE 64 HG22 ILE 64 -9.409 6.228 3.069 534 HG23 ILE 64 HG23 ILE 64 -7.649 6.228 3.043 535 HD11 ILE 64 HD11 ILE 64 -8.146 2.587 3.763 536 HD12 ILE 64 HD12 ILE 64 -6.853 3.296 2.767 537 HD13 ILE 64 HD13 ILE 64 -7.734 4.281 3.950 538 H SER 65 H SER 65 -11.601 3.870 0.362 539 HA SER 65 HA SER 65 -13.701 5.829 0.866 540 HB2 SER 65 HB2 SER 65 -13.521 2.837 1.352 541 HB3 SER 65 HB3 SER 65 -15.014 3.823 1.658 542 HG SER 65 HG SER 65 -15.174 2.972 -0.422 543 H GLU 66 H GLU 66 -14.872 6.100 2.994 544 HA GLU 66 HA GLU 66 -13.008 6.605 5.132 545 HB2 GLU 66 HB2 GLU 66 -15.297 7.771 4.522 546 HB3 GLU 66 HB3 GLU 66 -16.013 6.475 5.483 547 HG2 GLU 66 HG2 GLU 66 -14.078 7.192 7.210 548 HG3 GLU 66 HG3 GLU 66 -14.100 8.689 6.284 549 H GLU 67 H GLU 67 -15.557 4.247 4.489 550 HA GLU 67 HA GLU 67 -15.442 2.813 6.876 551 HB2 GLU 67 HB2 GLU 67 -17.078 2.799 4.885 552 HB3 GLU 67 HB3 GLU 67 -16.042 1.585 4.156 553 HG2 GLU 67 HG2 GLU 67 -16.384 0.080 6.080 554 HG3 GLU 67 HG3 GLU 67 -17.258 1.359 6.941 555 H ASN 68 H ASN 68 -13.717 2.238 3.877 556 HA ASN 68 HA ASN 68 -12.067 0.010 4.691 557 HB2 ASN 68 HB2 ASN 68 -11.723 2.076 2.494 558 HB3 ASN 68 HB3 ASN 68 -10.415 0.990 2.906 559 HD21 ASN 68 HD21 ASN 68 -12.096 1.235 0.352 560 HD22 ASN 68 HD22 ASN 68 -12.553 -0.399 0.061 561 H TYR 69 H TYR 69 -11.412 3.605 4.763 562 HA TYR 69 HA TYR 69 -8.804 3.461 5.869 563 HB2 TYR 69 HB2 TYR 69 -9.874 5.528 5.023 564 HB3 TYR 69 HB3 TYR 69 -10.955 5.560 6.393 565 HD1 TYR 69 HD2 TYR 69 -10.007 5.969 8.743 566 HD2 TYR 69 HD1 TYR 69 -7.568 6.242 5.192 567 HE1 TYR 69 HE2 TYR 69 -8.409 7.278 9.969 568 HE2 TYR 69 HE1 TYR 69 -5.983 7.641 6.341 569 HH TYR 69 HH TYR 69 -5.435 8.730 8.371 570 H LYS 70 H LYS 70 -11.907 3.867 7.707 571 HA LYS 70 HA LYS 70 -10.587 3.704 10.205 572 HB2 LYS 70 HB2 LYS 70 -13.470 2.995 9.518 573 HB3 LYS 70 HB3 LYS 70 -12.850 3.234 11.157 574 HG2 LYS 70 HG2 LYS 70 -12.336 5.589 10.688 575 HG3 LYS 70 HG3 LYS 70 -12.850 5.397 9.000 576 HD2 LYS 70 HD2 LYS 70 -15.107 4.655 9.816 577 HD3 LYS 70 HD3 LYS 70 -14.579 5.050 11.469 578 HE2 LYS 70 HE2 LYS 70 -14.313 7.409 10.870 579 HE3 LYS 70 HE3 LYS 70 -14.563 7.019 9.166 580 HZ1 LYS 70 HZ1 LYS 70 -16.604 6.894 11.287 581 HZ2 LYS 70 HZ2 LYS 70 -16.802 6.253 9.765 582 HZ3 LYS 70 HZ3 LYS 70 -16.572 7.838 9.926 583 H LYS 71 H LYS 71 -11.548 1.139 8.020 584 HA LYS 71 HA LYS 71 -11.397 -1.028 9.964 585 HB2 LYS 71 HB2 LYS 71 -12.775 -1.172 7.925 586 HB3 LYS 71 HB3 LYS 71 -11.320 -0.995 6.942 587 HG2 LYS 71 HG2 LYS 71 -12.049 -3.285 7.017 588 HG3 LYS 71 HG3 LYS 71 -10.453 -3.136 7.700 589 HD2 LYS 71 HD2 LYS 71 -11.214 -4.239 9.558 590 HD3 LYS 71 HD3 LYS 71 -12.344 -2.917 9.889 591 HE2 LYS 71 HE2 LYS 71 -13.958 -3.931 8.264 592 HE3 LYS 71 HE3 LYS 71 -12.891 -5.332 8.110 593 HZ1 LYS 71 HZ1 LYS 71 -13.471 -6.034 10.216 594 HZ2 LYS 71 HZ2 LYS 71 -14.851 -5.244 9.770 595 HZ3 LYS 71 HZ3 LYS 71 -13.814 -4.515 10.786 596 H PHE 72 H PHE 72 -9.225 0.396 7.499 597 HA PHE 72 HA PHE 72 -7.114 -1.539 8.135 598 HB2 PHE 72 HB2 PHE 72 -7.499 0.562 6.004 599 HB3 PHE 72 HB3 PHE 72 -5.925 -0.120 6.319 600 HD1 PHE 72 HD1 PHE 72 -5.600 -2.653 6.236 601 HD2 PHE 72 HD2 PHE 72 -9.081 -0.712 4.611 602 HE1 PHE 72 HE1 PHE 72 -6.100 -4.668 4.882 603 HE2 PHE 72 HE2 PHE 72 -9.541 -2.673 3.224 604 HZ PHE 72 HZ PHE 72 -8.085 -4.697 3.365 605 H SER 73 H SER 73 -7.965 1.549 9.438 606 HA SER 73 HA SER 73 -5.310 2.437 10.093 607 HB2 SER 73 HB2 SER 73 -6.610 3.960 11.610 608 HB3 SER 73 HB3 SER 73 -7.160 3.942 9.917 609 HG SER 73 HG SER 73 -8.883 3.786 11.502 610 H LYS 74 H LYS 74 -5.236 -0.228 10.686 611 HA LYS 74 HA LYS 74 -5.079 -0.432 13.640 612 HB2 LYS 74 HB2 LYS 74 -6.451 -2.381 11.719 613 HB3 LYS 74 HB3 LYS 74 -6.074 -2.761 13.390 614 HG2 LYS 74 HG2 LYS 74 -7.852 -0.364 12.741 615 HG3 LYS 74 HG3 LYS 74 -8.504 -1.988 12.639 616 HD2 LYS 74 HD2 LYS 74 -8.959 -0.894 14.801 617 HD3 LYS 74 HD3 LYS 74 -8.093 -2.435 14.947 618 HE2 LYS 74 HE2 LYS 74 -5.972 -1.255 15.283 619 HE3 LYS 74 HE3 LYS 74 -6.778 0.312 15.080 620 HZ1 LYS 74 HZ1 LYS 74 -8.078 -0.194 17.035 621 HZ2 LYS 74 HZ2 LYS 74 -6.478 -0.305 17.423 622 HZ3 LYS 74 HZ3 LYS 74 -7.360 -1.666 17.217 623 H LYS 75 H LYS 75 -2.913 -0.845 13.912 624 HA LYS 75 HA LYS 75 -0.894 -1.588 13.658 625 HB2 LYS 75 HB2 LYS 75 -2.301 -3.820 13.628 626 HB3 LYS 75 HB3 LYS 75 -1.723 -3.972 11.989 627 HG2 LYS 75 HG2 LYS 75 0.310 -3.373 14.130 628 HG3 LYS 75 HG3 LYS 75 -0.465 -4.948 14.185 629 HD2 LYS 75 HD2 LYS 75 0.422 -5.670 12.145 630 HD3 LYS 75 HD3 LYS 75 0.876 -4.054 11.626 631 HE2 LYS 75 HE2 LYS 75 2.359 -3.963 13.753 632 HE3 LYS 75 HE3 LYS 75 2.165 -5.718 13.793 633 HZ1 LYS 75 HZ1 LYS 75 4.137 -5.083 12.647 634 HZ2 LYS 75 HZ2 LYS 75 3.347 -4.083 11.643 635 HZ3 LYS 75 HZ3 LYS 75 3.146 -5.735 11.519 636 H ILE 76 H ILE 76 -2.476 -0.343 11.040 637 HA ILE 76 HA ILE 76 -0.146 -0.602 9.225 638 HB ILE 76 HB ILE 76 -3.075 -0.684 8.489 639 HG12 ILE 76 HG12 ILE 76 -1.101 -2.978 8.255 640 HG13 ILE 76 HG13 ILE 76 -2.238 -2.840 9.563 641 HG21 ILE 76 HG21 ILE 76 -1.684 0.387 6.763 642 HG22 ILE 76 HG22 ILE 76 -0.582 -1.015 6.788 643 HG23 ILE 76 HG23 ILE 76 -2.251 -1.184 6.217 644 HD11 ILE 76 HD11 ILE 76 -3.159 -4.344 7.930 645 HD12 ILE 76 HD12 ILE 76 -4.150 -2.872 8.021 646 HD13 ILE 76 HD13 ILE 76 -3.043 -3.132 6.651 647 H GLU 77 H GLU 77 0.530 1.267 8.461 648 HA GLU 77 HA GLU 77 -0.816 3.785 9.203 649 HB2 GLU 77 HB2 GLU 77 1.941 2.978 8.202 650 HB3 GLU 77 HB3 GLU 77 1.448 4.675 8.465 651 HG2 GLU 77 HG2 GLU 77 1.052 4.237 10.817 652 HG3 GLU 77 HG3 GLU 77 1.282 2.512 10.618 653 H ILE 78 H ILE 78 -1.856 4.988 7.631 654 HA ILE 78 HA ILE 78 -1.803 3.893 4.861 655 HB ILE 78 HB ILE 78 -3.906 5.605 6.235 656 HG12 ILE 78 HG12 ILE 78 -3.763 2.586 5.744 657 HG13 ILE 78 HG13 ILE 78 -3.848 3.404 7.299 658 HG21 ILE 78 HG21 ILE 78 -4.007 4.086 3.577 659 HG22 ILE 78 HG22 ILE 78 -5.277 5.118 4.266 660 HG23 ILE 78 HG23 ILE 78 -3.762 5.841 3.765 661 HD11 ILE 78 HD11 ILE 78 -6.125 4.274 6.649 662 HD12 ILE 78 HD12 ILE 78 -6.058 3.101 5.301 663 HD13 ILE 78 HD13 ILE 78 -5.971 2.538 6.975 664 H TYR 79 H TYR 79 -0.673 4.976 3.390 665 HA TYR 79 HA TYR 79 0.252 7.723 3.968 666 HB2 TYR 79 HB2 TYR 79 1.468 5.407 2.449 667 HB3 TYR 79 HB3 TYR 79 2.062 7.042 2.306 668 HD1 TYR 79 HD2 TYR 79 1.449 4.373 4.869 669 HD2 TYR 79 HD1 TYR 79 3.601 7.937 3.841 670 HE1 TYR 79 HE2 TYR 79 3.083 3.954 6.719 671 HE2 TYR 79 HE1 TYR 79 5.261 7.492 5.622 672 HH TYR 79 HH TYR 79 6.080 5.516 7.121 673 H HIS 80 H HIS 80 0.522 9.124 2.212 674 HA HIS 80 HA HIS 80 -1.503 8.806 0.064 675 HB2 HIS 80 HB2 HIS 80 -1.334 10.851 1.676 676 HB3 HIS 80 HB3 HIS 80 0.022 11.352 0.734 677 HD1 HIS 80 HD1 HIS 80 -0.996 13.345 -0.737 678 HD2 HIS 80 HD2 HIS 80 -3.392 9.873 -0.555 679 HE1 HIS 80 HE1 HIS 80 -3.053 13.787 -2.160 680 H ALA 81 H ALA 81 -0.859 8.173 -1.833 681 HA ALA 81 HA ALA 81 1.863 8.224 -2.824 682 HB1 ALA 81 HB1 ALA 81 -0.794 8.094 -4.341 683 HB2 ALA 81 HB2 ALA 81 0.812 7.733 -5.010 684 HB3 ALA 81 HB3 ALA 81 0.125 6.687 -3.753 685 H GLU 82 H GLU 82 2.920 9.782 -3.887 686 HA GLU 82 HA GLU 82 1.864 12.491 -3.814 687 HB2 GLU 82 HB2 GLU 82 4.156 13.094 -4.322 688 HB3 GLU 82 HB3 GLU 82 4.158 11.814 -3.129 689 HG2 GLU 82 HG2 GLU 82 5.576 10.722 -4.404 690 HG3 GLU 82 HG3 GLU 82 4.268 10.384 -5.514 691 H GLY 83 H GLY 83 1.746 10.056 -6.051 692 HA2 GLY 83 HA2 GLY 83 1.413 11.531 -8.567 693 HA3 GLY 83 HA3 GLY 83 3.010 10.871 -8.199 694 H ASP 84 H ASP 84 1.984 9.832 -10.336 695 HA ASP 84 HA ASP 84 0.518 7.336 -9.683 696 HB2 ASP 84 HB2 ASP 84 1.302 8.607 -12.341 697 HB3 ASP 84 HB3 ASP 84 0.284 7.178 -12.131 698 H ASP 85 H ASP 85 3.670 8.503 -10.031 699 HA ASP 85 HA ASP 85 4.957 6.239 -11.322 700 HB2 ASP 85 HB2 ASP 85 5.840 8.759 -10.975 701 HB3 ASP 85 HB3 ASP 85 6.397 8.165 -9.513 702 H VAL 86 H VAL 86 4.552 4.323 -10.224 703 HA VAL 86 HA VAL 86 4.615 3.885 -7.436 704 HB VAL 86 HB VAL 86 5.381 2.122 -9.794 705 HG11 VAL 86 HG11 VAL 86 5.254 0.172 -8.336 706 HG12 VAL 86 HG12 VAL 86 6.597 1.219 -7.895 707 HG13 VAL 86 HG13 VAL 86 5.124 1.223 -6.888 708 HG21 VAL 86 HG21 VAL 86 3.234 1.045 -9.363 709 HG22 VAL 86 HG22 VAL 86 2.958 2.079 -7.943 710 HG23 VAL 86 HG23 VAL 86 2.985 2.780 -9.581 711 H ASP 87 H ASP 87 7.371 4.227 -9.717 712 HA ASP 87 HA ASP 87 9.284 3.128 -7.877 713 HB2 ASP 87 HB2 ASP 87 9.478 4.556 -10.519 714 HB3 ASP 87 HB3 ASP 87 10.900 4.558 -9.476 715 H LYS 88 H LYS 88 8.234 6.475 -8.687 716 HA LYS 88 HA LYS 88 10.035 7.756 -6.891 717 HB2 LYS 88 HB2 LYS 88 8.564 8.922 -8.634 718 HB3 LYS 88 HB3 LYS 88 7.177 8.553 -7.649 719 HG2 LYS 88 HG2 LYS 88 7.944 10.870 -7.366 720 HG3 LYS 88 HG3 LYS 88 7.856 9.967 -5.866 721 HD2 LYS 88 HD2 LYS 88 9.963 10.463 -5.373 722 HD3 LYS 88 HD3 LYS 88 10.548 9.722 -6.847 723 HE2 LYS 88 HE2 LYS 88 9.425 12.315 -7.500 724 HE3 LYS 88 HE3 LYS 88 10.516 12.467 -6.122 725 HZ1 LYS 88 HZ1 LYS 88 11.185 11.562 -8.836 726 HZ2 LYS 88 HZ2 LYS 88 12.091 11.062 -7.534 727 HZ3 LYS 88 HZ3 LYS 88 11.957 12.640 -7.870 728 H ASN 89 H ASN 89 6.855 6.324 -6.404 729 HA ASN 89 HA ASN 89 6.627 7.360 -3.713 730 HB2 ASN 89 HB2 ASN 89 5.078 5.420 -5.430 731 HB3 ASN 89 HB3 ASN 89 4.629 5.669 -3.744 732 HD21 ASN 89 HD21 ASN 89 4.859 7.341 -6.893 733 HD22 ASN 89 HD22 ASN 89 4.165 8.841 -6.338 734 H ILE 90 H ILE 90 8.017 4.396 -5.033 735 HA ILE 90 HA ILE 90 7.952 2.896 -2.556 736 HB ILE 90 HB ILE 90 9.428 2.654 -5.187 737 HG12 ILE 90 HG12 ILE 90 7.391 0.844 -3.780 738 HG13 ILE 90 HG13 ILE 90 7.037 1.957 -5.069 739 HG21 ILE 90 HG21 ILE 90 11.003 1.884 -3.403 740 HG22 ILE 90 HG22 ILE 90 9.749 0.786 -2.789 741 HG23 ILE 90 HG23 ILE 90 10.473 0.576 -4.415 742 HD11 ILE 90 HD11 ILE 90 7.160 -0.245 -5.982 743 HD12 ILE 90 HD12 ILE 90 8.569 0.668 -6.576 744 HD13 ILE 90 HD13 ILE 90 8.742 -0.546 -5.278 745 H SER 91 H SER 91 10.485 4.973 -4.162 746 HA SER 91 HA SER 91 12.303 4.432 -2.012 747 HB2 SER 91 HB2 SER 91 13.717 6.168 -3.053 748 HB3 SER 91 HB3 SER 91 13.189 4.905 -4.167 749 HG SER 91 HG SER 91 13.078 7.141 -4.873 750 H LEU 92 H LEU 92 9.958 7.052 -2.601 751 HA LEU 92 HA LEU 92 10.779 8.705 -0.390 752 HB2 LEU 92 HB2 LEU 92 8.071 8.256 -1.728 753 HB3 LEU 92 HB3 LEU 92 8.337 9.468 -0.482 754 HG LEU 92 HG LEU 92 9.828 9.462 -3.130 755 HD11 LEU 92 HD11 LEU 92 8.233 11.243 -3.808 756 HD12 LEU 92 HD12 LEU 92 7.363 11.067 -2.282 757 HD13 LEU 92 HD13 LEU 92 7.376 9.736 -3.452 758 HD21 LEU 92 HD21 LEU 92 9.427 11.732 -1.154 759 HD22 LEU 92 HD22 LEU 92 10.439 11.709 -2.615 760 HD23 LEU 92 HD23 LEU 92 10.899 10.737 -1.220 761 H PHE 93 H PHE 93 8.486 5.953 -0.608 762 HA PHE 93 HA PHE 93 7.447 6.150 1.985 763 HB2 PHE 93 HB2 PHE 93 6.407 4.689 0.400 764 HB3 PHE 93 HB3 PHE 93 7.889 3.801 0.127 765 HD1 PHE 93 HD1 PHE 93 5.672 4.678 3.081 766 HD2 PHE 93 HD2 PHE 93 8.162 1.749 1.109 767 HE1 PHE 93 HE1 PHE 93 5.186 3.054 4.877 768 HE2 PHE 93 HE2 PHE 93 7.659 0.118 2.897 769 HZ PHE 93 HZ PHE 93 6.137 0.764 4.775 770 H ILE 94 H ILE 94 10.267 4.199 0.932 771 HA ILE 94 HA ILE 94 11.011 3.065 3.303 772 HB ILE 94 HB ILE 94 12.632 4.042 0.938 773 HG12 ILE 94 HG12 ILE 94 12.082 1.184 1.846 774 HG13 ILE 94 HG13 ILE 94 10.866 2.065 0.932 775 HG21 ILE 94 HG21 ILE 94 14.257 3.990 2.750 776 HG22 ILE 94 HG22 ILE 94 13.614 2.449 3.349 777 HG23 ILE 94 HG23 ILE 94 14.475 2.524 1.800 778 HD11 ILE 94 HD11 ILE 94 13.688 1.684 -0.110 779 HD12 ILE 94 HD12 ILE 94 12.317 0.600 -0.443 780 HD13 ILE 94 HD13 ILE 94 12.274 2.290 -0.984 781 H GLU 95 H GLU 95 12.324 6.374 2.241 782 HA GLU 95 HA GLU 95 13.496 6.689 4.848 783 HB2 GLU 95 HB2 GLU 95 13.151 8.352 2.369 784 HB3 GLU 95 HB3 GLU 95 13.594 9.190 3.854 785 HG2 GLU 95 HG2 GLU 95 15.137 6.722 2.989 786 HG3 GLU 95 HG3 GLU 95 15.443 8.305 2.300 787 H GLY 96 H GLY 96 10.240 6.750 4.120 788 HA2 GLY 96 HA2 GLY 96 8.519 7.270 5.521 789 HA3 GLY 96 HA3 GLY 96 9.613 8.191 6.571 790 H GLU 97 H GLU 97 10.034 9.133 3.314 791 HA GLU 97 HA GLU 97 9.279 11.786 3.848 792 HB2 GLU 97 HB2 GLU 97 10.878 10.321 2.065 793 HB3 GLU 97 HB3 GLU 97 9.651 10.977 1.010 794 HG2 GLU 97 HG2 GLU 97 10.957 12.850 2.996 795 HG3 GLU 97 HG3 GLU 97 11.950 12.196 1.709 796 H LEU 98 H LEU 98 7.452 9.137 2.477 797 HA LEU 98 HA LEU 98 5.393 10.760 1.176 798 HB2 LEU 98 HB2 LEU 98 5.330 7.941 2.311 799 HB3 LEU 98 HB3 LEU 98 3.928 8.731 1.592 800 HG LEU 98 HG LEU 98 6.499 7.928 0.205 801 HD11 LEU 98 HD11 LEU 98 4.967 6.504 -1.081 802 HD12 LEU 98 HD12 LEU 98 3.572 7.167 -0.205 803 HD13 LEU 98 HD13 LEU 98 4.777 6.190 0.656 804 HD21 LEU 98 HD21 LEU 98 4.175 9.535 -0.955 805 HD22 LEU 98 HD22 LEU 98 5.445 8.745 -1.908 806 HD23 LEU 98 HD23 LEU 98 5.867 10.061 -0.816 807 H SER 99 H SER 99 3.448 11.529 2.114 808 HA SER 99 HA SER 99 3.365 12.038 4.978 809 HB2 SER 99 HB2 SER 99 2.062 12.942 2.540 810 HB3 SER 99 HB3 SER 99 0.806 12.350 3.642 811 HG SER 99 HG SER 99 2.804 14.217 4.382 812 H LYS 100 H LYS 100 2.210 11.013 6.486 813 HA LYS 100 HA LYS 100 0.579 8.623 5.846 814 HB2 LYS 100 HB2 LYS 100 1.466 9.933 8.452 815 HB3 LYS 100 HB3 LYS 100 0.261 8.629 8.339 816 HG2 LYS 100 HG2 LYS 100 1.884 7.170 7.246 817 HG3 LYS 100 HG3 LYS 100 3.097 8.432 7.284 818 HD2 LYS 100 HD2 LYS 100 3.454 6.761 9.042 819 HD3 LYS 100 HD3 LYS 100 3.294 8.387 9.674 820 HE2 LYS 100 HE2 LYS 100 0.997 6.379 9.633 821 HE3 LYS 100 HE3 LYS 100 2.185 6.463 10.940 822 HZ1 LYS 100 HZ1 LYS 100 0.397 7.706 11.649 823 HZ2 LYS 100 HZ2 LYS 100 0.157 8.484 10.243 824 HZ3 LYS 100 HZ3 LYS 100 1.460 8.864 11.180 825 H ILE 101 H ILE 101 -1.587 8.906 5.541 826 HA ILE 101 HA ILE 101 -2.700 11.566 5.466 827 HB ILE 101 HB ILE 101 -3.986 8.846 5.041 828 HG12 ILE 101 HG12 ILE 101 -3.224 10.909 2.934 829 HG13 ILE 101 HG13 ILE 101 -2.093 9.647 3.451 830 HG21 ILE 101 HG21 ILE 101 -5.798 10.351 5.519 831 HG22 ILE 101 HG22 ILE 101 -5.029 11.689 4.631 832 HG23 ILE 101 HG23 ILE 101 -5.706 10.335 3.761 833 HD11 ILE 101 HD11 ILE 101 -4.825 9.110 2.238 834 HD12 ILE 101 HD12 ILE 101 -3.245 8.888 1.476 835 HD13 ILE 101 HD13 ILE 101 -3.690 7.900 2.864 836 H SER 102 H SER 102 -4.173 12.522 6.838 837 HA SER 102 HA SER 102 -5.076 11.018 9.235 838 HB2 SER 102 HB2 SER 102 -4.673 13.951 9.459 839 HB3 SER 102 HB3 SER 102 -4.400 12.668 10.630 840 HG SER 102 HG SER 102 -2.493 13.634 10.033 841 H ASN 103 H ASN 103 -7.228 10.882 9.149 842 HA ASN 103 HA ASN 103 -9.405 11.374 8.970 843 HB2 ASN 103 HB2 ASN 103 -8.940 14.229 9.406 844 HB3 ASN 103 HB3 ASN 103 -10.173 13.177 10.034 845 HD21 ASN 103 HD21 ASN 103 -7.311 14.771 10.744 846 HD22 ASN 103 HD22 ASN 103 -7.058 14.019 12.303 847 HA PRO 104 HA PRO 104 -9.536 12.886 4.552 848 HB2 PRO 104 HB2 PRO 104 -10.952 10.749 3.611 849 HB3 PRO 104 HB3 PRO 104 -9.174 10.713 3.781 850 HG2 PRO 104 HG2 PRO 104 -11.296 9.693 5.733 851 HG3 PRO 104 HG3 PRO 104 -9.843 8.809 5.180 852 HD2 PRO 104 HD2 PRO 104 -9.915 10.153 7.538 853 HD3 PRO 104 HD3 PRO 104 -8.421 10.039 6.554 Start of MODEL 18 1 H1 GLY -2 H GLY -2 17.870 4.132 9.148 2 HA2 GLY -2 HA2 GLY -2 15.965 3.247 7.878 3 HA3 GLY -2 HA3 GLY -2 16.921 3.482 6.408 4 H HIS -1 H HIS -1 17.828 1.646 5.696 5 HA HIS -1 HA HIS -1 18.092 -0.519 5.440 6 HB2 HIS -1 HB2 HIS -1 18.380 -0.953 8.431 7 HB3 HIS -1 HB3 HIS -1 18.684 -2.097 7.137 8 HD1 HIS -1 HD1 HIS -1 21.039 -2.028 5.970 9 HD2 HIS -1 HD2 HIS -1 20.306 0.938 8.889 10 HE1 HIS -1 HE1 HIS -1 23.288 -0.976 6.521 11 H MET 1 H MET 1 16.631 -2.416 5.495 12 HA MET 1 HA MET 1 14.532 -2.419 7.393 13 HB2 MET 1 HB2 MET 1 13.602 -0.722 5.756 14 HB3 MET 1 HB3 MET 1 13.658 -1.991 4.527 15 HG2 MET 1 HG2 MET 1 11.427 -1.722 5.570 16 HG3 MET 1 HG3 MET 1 12.087 -3.350 5.807 17 HE1 MET 1 HE1 MET 1 11.456 -4.465 8.059 18 HE2 MET 1 HE2 MET 1 10.533 -3.509 9.233 19 HE3 MET 1 HE3 MET 1 10.007 -3.538 7.547 20 H ILE 2 H ILE 2 13.772 -4.562 7.622 21 HA ILE 2 HA ILE 2 14.261 -6.483 5.423 22 HB ILE 2 HB ILE 2 15.152 -6.958 8.215 23 HG12 ILE 2 HG12 ILE 2 17.081 -6.168 5.996 24 HG13 ILE 2 HG13 ILE 2 16.652 -5.190 7.417 25 HG21 ILE 2 HG21 ILE 2 16.388 -8.513 5.994 26 HG22 ILE 2 HG22 ILE 2 15.582 -9.069 7.495 27 HG23 ILE 2 HG23 ILE 2 14.636 -8.656 6.070 28 HD11 ILE 2 HD11 ILE 2 18.695 -6.285 7.993 29 HD12 ILE 2 HD12 ILE 2 17.414 -7.092 8.893 30 HD13 ILE 2 HD13 ILE 2 18.095 -7.858 7.436 31 H ASN 3 H ASN 3 11.870 -5.707 6.084 32 HA ASN 3 HA ASN 3 10.379 -7.905 5.943 33 HB2 ASN 3 HB2 ASN 3 10.813 -8.766 8.149 34 HB3 ASN 3 HB3 ASN 3 10.370 -7.244 8.902 35 HD21 ASN 3 HD21 ASN 3 8.380 -7.685 10.018 36 HD22 ASN 3 HD22 ASN 3 7.118 -8.694 9.374 37 H MET 4 H MET 4 10.380 -5.441 4.822 38 HA MET 4 HA MET 4 8.128 -3.861 5.998 39 HB2 MET 4 HB2 MET 4 10.259 -3.074 4.392 40 HB3 MET 4 HB3 MET 4 8.903 -3.162 3.283 41 HG2 MET 4 HG2 MET 4 9.185 -0.961 4.138 42 HG3 MET 4 HG3 MET 4 7.591 -1.644 4.494 43 HE1 MET 4 HE1 MET 4 9.396 0.906 5.319 44 HE2 MET 4 HE2 MET 4 7.914 1.068 6.283 45 HE3 MET 4 HE3 MET 4 9.487 1.075 7.086 46 H LYS 5 H LYS 5 6.173 -3.691 5.024 47 HA LYS 5 HA LYS 5 5.544 -5.236 2.628 48 HB2 LYS 5 HB2 LYS 5 4.501 -5.898 5.386 49 HB3 LYS 5 HB3 LYS 5 3.412 -6.009 4.017 50 HG2 LYS 5 HG2 LYS 5 4.964 -7.605 2.923 51 HG3 LYS 5 HG3 LYS 5 6.046 -7.435 4.311 52 HD2 LYS 5 HD2 LYS 5 3.873 -8.143 5.705 53 HD3 LYS 5 HD3 LYS 5 3.375 -8.818 4.143 54 HE2 LYS 5 HE2 LYS 5 4.628 -10.625 4.749 55 HE3 LYS 5 HE3 LYS 5 5.966 -9.581 4.212 56 HZ1 LYS 5 HZ1 LYS 5 5.980 -8.800 6.615 57 HZ2 LYS 5 HZ2 LYS 5 6.647 -10.235 6.280 58 HZ3 LYS 5 HZ3 LYS 5 5.139 -10.184 6.942 59 H VAL 6 H VAL 6 4.503 -3.725 1.415 60 HA VAL 6 HA VAL 6 2.487 -1.988 2.703 61 HB VAL 6 HB VAL 6 4.485 -1.360 0.526 62 HG11 VAL 6 HG11 VAL 6 2.326 -0.465 -0.301 63 HG12 VAL 6 HG12 VAL 6 2.085 0.367 1.257 64 HG13 VAL 6 HG13 VAL 6 3.428 0.809 0.181 65 HG21 VAL 6 HG21 VAL 6 4.865 0.600 1.972 66 HG22 VAL 6 HG22 VAL 6 3.735 -0.063 3.159 67 HG23 VAL 6 HG23 VAL 6 5.219 -0.942 2.788 68 H ALA 7 H ALA 7 0.587 -1.595 1.461 69 HA ALA 7 HA ALA 7 0.103 -3.397 -0.890 70 HB1 ALA 7 HB1 ALA 7 -2.306 -2.931 -0.505 71 HB2 ALA 7 HB2 ALA 7 -1.594 -3.753 0.889 72 HB3 ALA 7 HB3 ALA 7 -1.891 -1.996 0.950 73 H ILE 8 H ILE 8 0.373 -2.262 -2.844 74 HA ILE 8 HA ILE 8 -0.217 0.676 -2.774 75 HB ILE 8 HB ILE 8 1.526 -0.982 -4.662 76 HG12 ILE 8 HG12 ILE 8 2.051 0.901 -2.321 77 HG13 ILE 8 HG13 ILE 8 2.648 -0.735 -2.592 78 HG21 ILE 8 HG21 ILE 8 1.115 2.042 -4.602 79 HG22 ILE 8 HG22 ILE 8 2.043 1.073 -5.789 80 HG23 ILE 8 HG23 ILE 8 0.298 0.970 -5.756 81 HD11 ILE 8 HD11 ILE 8 3.588 1.821 -3.862 82 HD12 ILE 8 HD12 ILE 8 4.491 0.719 -2.845 83 HD13 ILE 8 HD13 ILE 8 4.059 0.225 -4.498 84 H SER 9 H SER 9 -2.208 1.196 -3.572 85 HA SER 9 HA SER 9 -3.910 -0.670 -4.951 86 HB2 SER 9 HB2 SER 9 -5.052 1.681 -5.441 87 HB3 SER 9 HB3 SER 9 -5.143 0.908 -3.847 88 HG SER 9 HG SER 9 -3.032 2.711 -4.400 89 H MET 10 H MET 10 -3.263 -1.425 -6.933 90 HA MET 10 HA MET 10 -2.262 0.563 -8.924 91 HB2 MET 10 HB2 MET 10 -1.872 -2.427 -8.714 92 HB3 MET 10 HB3 MET 10 -1.348 -1.460 -10.108 93 HG2 MET 10 HG2 MET 10 -0.361 -1.092 -7.260 94 HG3 MET 10 HG3 MET 10 0.440 -2.057 -8.494 95 HE1 MET 10 HE1 MET 10 0.450 -0.550 -11.130 96 HE2 MET 10 HE2 MET 10 1.891 0.467 -10.982 97 HE3 MET 10 HE3 MET 10 1.916 -1.187 -10.350 98 H ASP 11 H ASP 11 -2.972 0.354 -11.006 99 HA ASP 11 HA ASP 11 -5.799 -0.504 -11.415 100 HB2 ASP 11 HB2 ASP 11 -4.945 1.847 -11.953 101 HB3 ASP 11 HB3 ASP 11 -3.799 1.171 -13.046 102 H VAL 12 H VAL 12 -2.960 -0.382 -13.550 103 HA VAL 12 HA VAL 12 -2.997 -3.304 -13.954 104 HB VAL 12 HB VAL 12 -3.164 -1.251 -16.208 105 HG11 VAL 12 HG11 VAL 12 -3.012 -4.290 -16.357 106 HG12 VAL 12 HG12 VAL 12 -3.146 -3.165 -17.729 107 HG13 VAL 12 HG13 VAL 12 -1.677 -3.178 -16.745 108 HG21 VAL 12 HG21 VAL 12 -5.145 -3.335 -15.222 109 HG22 VAL 12 HG22 VAL 12 -5.395 -1.594 -15.305 110 HG23 VAL 12 HG23 VAL 12 -5.260 -2.529 -16.801 111 H ASP 13 H ASP 13 -1.599 -0.176 -15.086 112 HA ASP 13 HA ASP 13 1.054 -1.416 -14.743 113 HB2 ASP 13 HB2 ASP 13 -0.416 -0.973 -17.028 114 HB3 ASP 13 HB3 ASP 13 0.447 0.548 -16.939 115 H LYS 14 H LYS 14 -0.662 0.992 -13.370 116 HA LYS 14 HA LYS 14 1.661 2.369 -12.372 117 HB2 LYS 14 HB2 LYS 14 0.764 4.667 -12.894 118 HB3 LYS 14 HB3 LYS 14 1.432 3.805 -14.240 119 HG2 LYS 14 HG2 LYS 14 -1.157 3.093 -14.627 120 HG3 LYS 14 HG3 LYS 14 -1.461 4.487 -13.627 121 HD2 LYS 14 HD2 LYS 14 -1.552 5.132 -15.971 122 HD3 LYS 14 HD3 LYS 14 -0.080 5.841 -15.299 123 HE2 LYS 14 HE2 LYS 14 1.264 3.980 -16.242 124 HE3 LYS 14 HE3 LYS 14 -0.205 3.174 -16.803 125 HZ1 LYS 14 HZ1 LYS 14 0.793 4.290 -18.614 126 HZ2 LYS 14 HZ2 LYS 14 0.951 5.684 -17.777 127 HZ3 LYS 14 HZ3 LYS 14 -0.554 5.149 -18.258 128 H ILE 15 H ILE 15 0.824 4.055 -10.689 129 HA ILE 15 HA ILE 15 -0.872 2.730 -8.864 130 HB ILE 15 HB ILE 15 -0.197 5.655 -9.151 131 HG12 ILE 15 HG12 ILE 15 1.053 3.747 -7.139 132 HG13 ILE 15 HG13 ILE 15 1.644 3.791 -8.794 133 HG21 ILE 15 HG21 ILE 15 -1.395 4.189 -6.766 134 HG22 ILE 15 HG22 ILE 15 -0.641 5.795 -6.649 135 HG23 ILE 15 HG23 ILE 15 -2.082 5.574 -7.633 136 HD11 ILE 15 HD11 ILE 15 3.015 5.262 -7.469 137 HD12 ILE 15 HD12 ILE 15 2.094 6.174 -8.651 138 HD13 ILE 15 HD13 ILE 15 1.598 6.189 -6.939 139 H SER 16 H SER 16 -3.027 2.801 -8.295 140 HA SER 16 HA SER 16 -4.950 3.578 -10.387 141 HB2 SER 16 HB2 SER 16 -4.838 1.507 -8.470 142 HB3 SER 16 HB3 SER 16 -6.087 2.574 -7.863 143 HG SER 16 HG SER 16 -7.040 2.482 -10.056 144 H ASN 17 H ASN 17 -7.027 4.717 -9.681 145 HA ASN 17 HA ASN 17 -6.101 7.223 -8.774 146 HB2 ASN 17 HB2 ASN 17 -7.878 6.592 -10.585 147 HB3 ASN 17 HB3 ASN 17 -9.034 6.647 -9.233 148 HD21 ASN 17 HD21 ASN 17 -9.924 8.798 -8.959 149 HD22 ASN 17 HD22 ASN 17 -9.017 10.221 -9.507 150 H SER 18 H SER 18 -7.648 4.725 -6.863 151 HA SER 18 HA SER 18 -7.263 6.275 -4.483 152 HB2 SER 18 HB2 SER 18 -9.740 5.553 -3.764 153 HB3 SER 18 HB3 SER 18 -9.260 7.147 -4.330 154 HG SER 18 HG SER 18 -11.154 5.725 -5.340 155 H PHE 19 H PHE 19 -7.774 4.789 -2.562 156 HA PHE 19 HA PHE 19 -6.404 2.325 -2.806 157 HB2 PHE 19 HB2 PHE 19 -6.684 3.446 -0.633 158 HB3 PHE 19 HB3 PHE 19 -8.430 3.352 -0.767 159 HD1 PHE 19 HD1 PHE 19 -5.335 1.302 -0.360 160 HD2 PHE 19 HD2 PHE 19 -9.637 1.348 -0.150 161 HE1 PHE 19 HE1 PHE 19 -5.309 -0.986 0.550 162 HE2 PHE 19 HE2 PHE 19 -9.611 -0.978 0.725 163 HZ PHE 19 HZ PHE 19 -7.497 -2.156 1.068 164 H GLU 20 H GLU 20 -9.901 3.133 -2.777 165 HA GLU 20 HA GLU 20 -10.644 0.344 -2.500 166 HB2 GLU 20 HB2 GLU 20 -11.857 2.399 -1.556 167 HB3 GLU 20 HB3 GLU 20 -12.369 2.766 -3.217 168 HG2 GLU 20 HG2 GLU 20 -13.233 0.320 -3.221 169 HG3 GLU 20 HG3 GLU 20 -13.010 0.331 -1.532 170 H ASP 21 H ASP 21 -10.746 2.808 -5.004 171 HA ASP 21 HA ASP 21 -11.928 1.395 -7.144 172 HB2 ASP 21 HB2 ASP 21 -11.714 3.882 -6.696 173 HB3 ASP 21 HB3 ASP 21 -10.003 3.763 -7.104 174 H CYS 22 H CYS 22 -9.160 0.407 -5.792 175 HA CYS 22 HA CYS 22 -7.425 0.292 -8.120 176 HB2 CYS 22 HB2 CYS 22 -5.931 -1.028 -6.805 177 HB3 CYS 22 HB3 CYS 22 -6.543 0.295 -5.779 178 HG CYS 22 HG CYS 22 -8.102 -1.007 -4.334 179 H LYS 23 H LYS 23 -6.662 -1.754 -8.896 180 HA LYS 23 HA LYS 23 -8.870 -3.689 -9.507 181 HB2 LYS 23 HB2 LYS 23 -6.399 -2.605 -10.828 182 HB3 LYS 23 HB3 LYS 23 -6.982 -4.191 -11.309 183 HG2 LYS 23 HG2 LYS 23 -7.771 -2.572 -12.881 184 HG3 LYS 23 HG3 LYS 23 -9.088 -3.283 -11.968 185 HD2 LYS 23 HD2 LYS 23 -9.227 -1.188 -10.577 186 HD3 LYS 23 HD3 LYS 23 -7.978 -0.477 -11.602 187 HE2 LYS 23 HE2 LYS 23 -10.111 0.235 -12.445 188 HE3 LYS 23 HE3 LYS 23 -9.463 -0.942 -13.594 189 HZ1 LYS 23 HZ1 LYS 23 -11.831 -1.295 -13.017 190 HZ2 LYS 23 HZ2 LYS 23 -11.428 -1.551 -11.454 191 HZ3 LYS 23 HZ3 LYS 23 -10.913 -2.610 -12.607 192 H TYR 24 H TYR 24 -5.548 -3.222 -8.214 193 HA TYR 24 HA TYR 24 -5.826 -5.699 -6.792 194 HB2 TYR 24 HB2 TYR 24 -3.956 -6.843 -7.646 195 HB3 TYR 24 HB3 TYR 24 -4.903 -6.446 -9.032 196 HD1 TYR 24 HD2 TYR 24 -4.180 -4.508 -10.528 197 HD2 TYR 24 HD1 TYR 24 -1.629 -6.323 -7.539 198 HE1 TYR 24 HE2 TYR 24 -2.142 -3.594 -11.647 199 HE2 TYR 24 HE1 TYR 24 0.279 -5.463 -8.559 200 HH TYR 24 HH TYR 24 0.769 -4.753 -11.193 201 H PHE 25 H PHE 25 -4.042 -6.001 -5.331 202 HA PHE 25 HA PHE 25 -2.809 -3.486 -4.401 203 HB2 PHE 25 HB2 PHE 25 -3.375 -6.107 -2.978 204 HB3 PHE 25 HB3 PHE 25 -2.630 -4.687 -2.249 205 HD1 PHE 25 HD2 PHE 25 -4.025 -2.440 -2.566 206 HD2 PHE 25 HD1 PHE 25 -5.701 -6.400 -2.797 207 HE1 PHE 25 HE2 PHE 25 -6.306 -1.526 -2.056 208 HE2 PHE 25 HE1 PHE 25 -7.949 -5.502 -2.211 209 HZ PHE 25 HZ PHE 25 -8.237 -3.059 -1.849 210 H LEU 26 H LEU 26 -0.762 -3.363 -5.187 211 HA LEU 26 HA LEU 26 0.821 -5.751 -5.771 212 HB2 LEU 26 HB2 LEU 26 0.975 -3.518 -7.042 213 HB3 LEU 26 HB3 LEU 26 1.834 -2.902 -5.644 214 HG LEU 26 HG LEU 26 3.423 -3.508 -7.224 215 HD11 LEU 26 HD11 LEU 26 4.822 -5.037 -6.207 216 HD12 LEU 26 HD12 LEU 26 3.520 -6.023 -5.618 217 HD13 LEU 26 HD13 LEU 26 3.841 -4.408 -4.853 218 HD21 LEU 26 HD21 LEU 26 2.310 -4.929 -8.757 219 HD22 LEU 26 HD22 LEU 26 2.118 -6.235 -7.527 220 HD23 LEU 26 HD23 LEU 26 3.716 -5.812 -8.182 221 H ILE 27 H ILE 27 1.660 -6.843 -4.068 222 HA ILE 27 HA ILE 27 1.939 -5.680 -1.419 223 HB ILE 27 HB ILE 27 2.622 -8.519 -2.190 224 HG12 ILE 27 HG12 ILE 27 0.398 -8.253 -3.204 225 HG13 ILE 27 HG13 ILE 27 0.274 -9.195 -1.747 226 HG21 ILE 27 HG21 ILE 27 1.651 -7.261 0.306 227 HG22 ILE 27 HG22 ILE 27 1.657 -9.005 0.064 228 HG23 ILE 27 HG23 ILE 27 3.184 -8.123 -0.002 229 HD11 ILE 27 HD11 ILE 27 -1.564 -7.515 -2.040 230 HD12 ILE 27 HD12 ILE 27 -0.672 -7.304 -0.525 231 HD13 ILE 27 HD13 ILE 27 -0.403 -6.205 -1.885 232 H VAL 28 H VAL 28 3.654 -4.267 -1.678 233 HA VAL 28 HA VAL 28 6.117 -5.020 -3.059 234 HB VAL 28 HB VAL 28 5.557 -2.711 -1.140 235 HG11 VAL 28 HG11 VAL 28 7.985 -3.224 -1.559 236 HG12 VAL 28 HG12 VAL 28 7.693 -2.971 -3.294 237 HG13 VAL 28 HG13 VAL 28 7.493 -1.637 -2.161 238 HG21 VAL 28 HG21 VAL 28 4.035 -2.548 -3.058 239 HG22 VAL 28 HG22 VAL 28 5.316 -1.338 -3.150 240 HG23 VAL 28 HG23 VAL 28 5.406 -2.773 -4.177 241 H ARG 29 H ARG 29 7.130 -6.825 -2.103 242 HA ARG 29 HA ARG 29 7.376 -6.914 0.854 243 HB2 ARG 29 HB2 ARG 29 6.728 -8.877 -0.825 244 HB3 ARG 29 HB3 ARG 29 8.469 -9.009 -1.054 245 HG2 ARG 29 HG2 ARG 29 8.835 -9.729 1.147 246 HG3 ARG 29 HG3 ARG 29 7.396 -8.899 1.767 247 HD2 ARG 29 HD2 ARG 29 5.966 -10.485 0.518 248 HD3 ARG 29 HD3 ARG 29 7.399 -11.420 0.054 249 HE ARG 29 HE ARG 29 7.770 -11.488 2.638 250 HH11 ARG 29 HH11 ARG 29 4.596 -11.866 1.007 251 HH12 ARG 29 HH12 ARG 29 3.811 -12.551 2.360 252 HH21 ARG 29 HH21 ARG 29 6.719 -12.402 4.407 253 HH22 ARG 29 HH22 ARG 29 5.120 -13.148 4.210 254 H ILE 30 H ILE 30 9.210 -6.136 1.784 255 HA ILE 30 HA ILE 30 11.624 -5.720 0.107 256 HB ILE 30 HB ILE 30 10.248 -3.721 1.882 257 HG12 ILE 30 HG12 ILE 30 11.462 -3.086 -0.793 258 HG13 ILE 30 HG13 ILE 30 9.883 -3.846 -0.698 259 HG21 ILE 30 HG21 ILE 30 12.287 -2.234 1.644 260 HG22 ILE 30 HG22 ILE 30 12.521 -3.635 2.688 261 HG23 ILE 30 HG23 ILE 30 13.140 -3.665 1.026 262 HD11 ILE 30 HD11 ILE 30 9.700 -1.366 -0.837 263 HD12 ILE 30 HD12 ILE 30 9.034 -1.959 0.682 264 HD13 ILE 30 HD13 ILE 30 10.612 -1.211 0.666 265 H ASP 31 H ASP 31 13.106 -6.852 0.862 266 HA ASP 31 HA ASP 31 13.172 -7.568 3.740 267 HB2 ASP 31 HB2 ASP 31 13.947 -9.573 1.643 268 HB3 ASP 31 HB3 ASP 31 13.533 -9.745 3.329 269 H ASP 32 H ASP 32 14.890 -5.941 1.410 270 HA ASP 32 HA ASP 32 16.800 -5.520 3.417 271 HB2 ASP 32 HB2 ASP 32 17.940 -7.496 2.270 272 HB3 ASP 32 HB3 ASP 32 18.198 -6.470 0.883 273 H ASN 33 H ASN 33 15.248 -3.794 2.863 274 HA ASN 33 HA ASN 33 14.642 -1.764 2.048 275 HB2 ASN 33 HB2 ASN 33 17.152 -1.585 2.938 276 HB3 ASN 33 HB3 ASN 33 17.440 -1.053 1.287 277 HD21 ASN 33 HD21 ASN 33 15.328 -0.532 4.151 278 HD22 ASN 33 HD22 ASN 33 15.339 1.219 4.020 279 H GLU 34 H GLU 34 15.362 -4.018 -0.167 280 HA GLU 34 HA GLU 34 14.508 -2.362 -2.479 281 HB2 GLU 34 HB2 GLU 34 15.840 -3.755 -3.917 282 HB3 GLU 34 HB3 GLU 34 16.907 -3.165 -2.650 283 HG2 GLU 34 HG2 GLU 34 16.344 -5.418 -1.425 284 HG3 GLU 34 HG3 GLU 34 15.713 -5.943 -2.987 285 H VAL 35 H VAL 35 13.364 -3.732 -4.126 286 HA VAL 35 HA VAL 35 11.189 -4.921 -2.569 287 HB VAL 35 HB VAL 35 11.291 -4.128 -5.496 288 HG11 VAL 35 HG11 VAL 35 9.483 -5.725 -4.994 289 HG12 VAL 35 HG12 VAL 35 9.027 -4.824 -3.545 290 HG13 VAL 35 HG13 VAL 35 8.777 -4.109 -5.165 291 HG21 VAL 35 HG21 VAL 35 10.035 -2.122 -4.778 292 HG22 VAL 35 HG22 VAL 35 10.287 -2.565 -3.075 293 HG23 VAL 35 HG23 VAL 35 11.659 -2.134 -4.116 294 H LYS 36 H LYS 36 12.441 -6.696 -2.038 295 HA LYS 36 HA LYS 36 13.773 -8.469 -3.713 296 HB2 LYS 36 HB2 LYS 36 12.413 -8.948 -1.032 297 HB3 LYS 36 HB3 LYS 36 13.516 -10.111 -1.766 298 HG2 LYS 36 HG2 LYS 36 14.356 -7.227 -1.289 299 HG3 LYS 36 HG3 LYS 36 14.469 -8.399 -0.013 300 HD2 LYS 36 HD2 LYS 36 15.729 -8.958 -2.692 301 HD3 LYS 36 HD3 LYS 36 16.499 -7.891 -1.506 302 HE2 LYS 36 HE2 LYS 36 16.513 -9.644 0.180 303 HE3 LYS 36 HE3 LYS 36 15.706 -10.777 -0.929 304 HZ1 LYS 36 HZ1 LYS 36 18.221 -10.893 -0.731 305 HZ2 LYS 36 HZ2 LYS 36 18.284 -9.505 -1.579 306 HZ3 LYS 36 HZ3 LYS 36 17.640 -10.815 -2.285 307 H SER 37 H SER 37 10.270 -8.447 -3.045 308 HA SER 37 HA SER 37 9.995 -9.838 -5.549 309 HB2 SER 37 HB2 SER 37 9.007 -11.169 -3.008 310 HB3 SER 37 HB3 SER 37 8.338 -11.513 -4.616 311 HG SER 37 HG SER 37 11.098 -11.584 -4.448 312 H THR 38 H THR 38 8.698 -8.455 -6.502 313 HA THR 38 HA THR 38 6.496 -7.060 -5.241 314 HB THR 38 HB THR 38 5.822 -6.935 -7.774 315 HG1 THR 38 HG1 THR 38 8.591 -7.620 -8.010 316 HG21 THR 38 HG21 THR 38 8.449 -5.596 -7.079 317 HG22 THR 38 HG22 THR 38 6.928 -5.101 -6.320 318 HG23 THR 38 HG23 THR 38 7.103 -4.987 -8.056 319 H LYS 39 H LYS 39 4.336 -7.714 -5.123 320 HA LYS 39 HA LYS 39 3.611 -10.435 -6.097 321 HB2 LYS 39 HB2 LYS 39 3.977 -9.477 -3.322 322 HB3 LYS 39 HB3 LYS 39 2.316 -10.013 -3.641 323 HG2 LYS 39 HG2 LYS 39 3.101 -11.911 -2.960 324 HG3 LYS 39 HG3 LYS 39 3.444 -12.135 -4.676 325 HD2 LYS 39 HD2 LYS 39 5.696 -10.740 -3.787 326 HD3 LYS 39 HD3 LYS 39 5.308 -11.672 -2.350 327 HE2 LYS 39 HE2 LYS 39 5.327 -12.797 -5.165 328 HE3 LYS 39 HE3 LYS 39 6.840 -12.772 -4.232 329 HZ1 LYS 39 HZ1 LYS 39 4.405 -14.213 -3.357 330 HZ2 LYS 39 HZ2 LYS 39 5.851 -14.215 -2.586 331 HZ3 LYS 39 HZ3 LYS 39 5.685 -14.929 -4.062 332 H VAL 40 H VAL 40 1.257 -10.454 -6.560 333 HA VAL 40 HA VAL 40 -0.343 -8.289 -5.699 334 HB VAL 40 HB VAL 40 0.193 -7.647 -7.488 335 HG11 VAL 40 HG11 VAL 40 0.378 -8.519 -9.602 336 HG12 VAL 40 HG12 VAL 40 1.655 -9.001 -8.474 337 HG13 VAL 40 HG13 VAL 40 0.387 -10.233 -8.960 338 HG21 VAL 40 HG21 VAL 40 -2.403 -8.320 -7.570 339 HG22 VAL 40 HG22 VAL 40 -1.743 -8.161 -9.201 340 HG23 VAL 40 HG23 VAL 40 -1.916 -9.725 -8.479 341 H ILE 41 H ILE 41 -2.174 -8.384 -5.059 342 HA ILE 41 HA ILE 41 -3.749 -10.874 -4.902 343 HB ILE 41 HB ILE 41 -3.565 -8.506 -2.954 344 HG12 ILE 41 HG12 ILE 41 -2.591 -11.373 -2.607 345 HG13 ILE 41 HG13 ILE 41 -1.581 -9.962 -2.794 346 HG21 ILE 41 HG21 ILE 41 -5.153 -11.089 -2.797 347 HG22 ILE 41 HG22 ILE 41 -5.083 -9.808 -1.541 348 HG23 ILE 41 HG23 ILE 41 -5.811 -9.458 -3.109 349 HD11 ILE 41 HD11 ILE 41 -2.724 -9.015 -0.678 350 HD12 ILE 41 HD12 ILE 41 -3.267 -10.680 -0.407 351 HD13 ILE 41 HD13 ILE 41 -1.535 -10.318 -0.492 352 H PHE 42 H PHE 42 -5.428 -10.570 -6.387 353 HA PHE 42 HA PHE 42 -5.931 -7.931 -7.511 354 HB2 PHE 42 HB2 PHE 42 -7.602 -10.467 -7.630 355 HB3 PHE 42 HB3 PHE 42 -7.863 -9.029 -8.604 356 HD1 PHE 42 HD1 PHE 42 -5.741 -8.188 -9.965 357 HD2 PHE 42 HD2 PHE 42 -6.322 -12.233 -8.605 358 HE1 PHE 42 HE1 PHE 42 -4.107 -8.957 -11.634 359 HE2 PHE 42 HE2 PHE 42 -4.765 -13.025 -10.367 360 HZ PHE 42 HZ PHE 42 -3.629 -11.409 -11.869 361 H ASN 43 H ASN 43 -7.896 -6.736 -7.286 362 HA ASN 43 HA ASN 43 -8.844 -6.567 -4.520 363 HB2 ASN 43 HB2 ASN 43 -8.290 -4.552 -5.863 364 HB3 ASN 43 HB3 ASN 43 -9.640 -4.934 -6.953 365 HD21 ASN 43 HD21 ASN 43 -10.459 -2.764 -6.323 366 HD22 ASN 43 HD22 ASN 43 -11.342 -2.588 -4.857 367 H ASP 44 H ASP 44 -9.856 -8.470 -4.238 368 HA ASP 44 HA ASP 44 -12.621 -8.703 -5.178 369 HB2 ASP 44 HB2 ASP 44 -10.591 -10.982 -5.065 370 HB3 ASP 44 HB3 ASP 44 -12.306 -11.244 -5.022 371 H GLU 45 H GLU 45 -13.674 -10.242 -3.416 372 HA GLU 45 HA GLU 45 -13.207 -9.268 -0.823 373 HB2 GLU 45 HB2 GLU 45 -15.331 -10.132 -1.590 374 HB3 GLU 45 HB3 GLU 45 -14.680 -11.778 -1.727 375 HG2 GLU 45 HG2 GLU 45 -14.402 -12.003 0.620 376 HG3 GLU 45 HG3 GLU 45 -14.501 -10.270 0.893 377 H SER 46 H SER 46 -12.017 -12.294 -2.348 378 HA SER 46 HA SER 46 -10.706 -13.345 -0.049 379 HB2 SER 46 HB2 SER 46 -11.168 -14.509 -2.252 380 HB3 SER 46 HB3 SER 46 -9.791 -13.622 -2.939 381 HG SER 46 HG SER 46 -8.476 -14.655 -1.377 382 H GLY 47 H GLY 47 -9.981 -10.489 -1.913 383 HA2 GLY 47 HA2 GLY 47 -7.149 -10.679 -1.605 384 HA3 GLY 47 HA3 GLY 47 -8.051 -9.245 -2.157 385 H LYS 48 H LYS 48 -9.575 -8.476 -0.184 386 HA LYS 48 HA LYS 48 -7.703 -7.417 1.747 387 HB2 LYS 48 HB2 LYS 48 -10.730 -7.355 1.583 388 HB3 LYS 48 HB3 LYS 48 -9.834 -6.482 2.825 389 HG2 LYS 48 HG2 LYS 48 -8.944 -4.921 1.302 390 HG3 LYS 48 HG3 LYS 48 -9.110 -6.017 -0.073 391 HD2 LYS 48 HD2 LYS 48 -10.773 -4.376 -0.381 392 HD3 LYS 48 HD3 LYS 48 -11.559 -5.875 0.093 393 HE2 LYS 48 HE2 LYS 48 -11.549 -4.880 2.520 394 HE3 LYS 48 HE3 LYS 48 -11.164 -3.343 1.730 395 HZ1 LYS 48 HZ1 LYS 48 -13.237 -3.717 0.393 396 HZ2 LYS 48 HZ2 LYS 48 -13.480 -3.499 2.026 397 HZ3 LYS 48 HZ3 LYS 48 -13.594 -4.979 1.370 398 H LYS 49 H LYS 49 -9.559 -10.390 1.708 399 HA LYS 49 HA LYS 49 -9.295 -10.991 4.533 400 HB2 LYS 49 HB2 LYS 49 -9.548 -12.651 2.004 401 HB3 LYS 49 HB3 LYS 49 -9.193 -13.388 3.562 402 HG2 LYS 49 HG2 LYS 49 -11.238 -12.564 4.537 403 HG3 LYS 49 HG3 LYS 49 -11.558 -11.534 3.140 404 HD2 LYS 49 HD2 LYS 49 -13.020 -13.396 3.075 405 HD3 LYS 49 HD3 LYS 49 -11.930 -13.533 1.716 406 HE2 LYS 49 HE2 LYS 49 -11.497 -15.020 4.344 407 HE3 LYS 49 HE3 LYS 49 -12.565 -15.634 3.090 408 HZ1 LYS 49 HZ1 LYS 49 -10.511 -16.664 2.863 409 HZ2 LYS 49 HZ2 LYS 49 -9.637 -15.268 2.762 410 HZ3 LYS 49 HZ3 LYS 49 -10.689 -15.725 1.575 411 H SER 50 H SER 50 -7.193 -12.006 1.729 412 HA SER 50 HA SER 50 -5.153 -13.065 3.257 413 HB2 SER 50 HB2 SER 50 -5.006 -11.643 0.571 414 HB3 SER 50 HB3 SER 50 -3.781 -12.745 1.231 415 HG SER 50 HG SER 50 -5.151 -13.835 -0.157 416 H ILE 51 H ILE 51 -5.522 -9.641 2.272 417 HA ILE 51 HA ILE 51 -3.060 -8.585 2.963 418 HB ILE 51 HB ILE 51 -5.891 -7.507 3.137 419 HG12 ILE 51 HG12 ILE 51 -3.543 -7.078 1.239 420 HG13 ILE 51 HG13 ILE 51 -4.970 -8.018 0.900 421 HG21 ILE 51 HG21 ILE 51 -5.106 -5.245 3.436 422 HG22 ILE 51 HG22 ILE 51 -4.527 -6.185 4.788 423 HG23 ILE 51 HG23 ILE 51 -3.422 -5.787 3.454 424 HD11 ILE 51 HD11 ILE 51 -5.176 -5.973 -0.241 425 HD12 ILE 51 HD12 ILE 51 -6.322 -5.857 1.106 426 HD13 ILE 51 HD13 ILE 51 -4.757 -5.005 1.167 427 H VAL 52 H VAL 52 -5.689 -9.457 5.217 428 HA VAL 52 HA VAL 52 -4.524 -8.154 7.490 429 HB VAL 52 HB VAL 52 -6.539 -10.427 7.304 430 HG11 VAL 52 HG11 VAL 52 -5.620 -10.411 9.534 431 HG12 VAL 52 HG12 VAL 52 -5.638 -8.640 9.585 432 HG13 VAL 52 HG13 VAL 52 -7.159 -9.526 9.615 433 HG21 VAL 52 HG21 VAL 52 -6.949 -7.421 7.711 434 HG22 VAL 52 HG22 VAL 52 -7.257 -8.267 6.189 435 HG23 VAL 52 HG23 VAL 52 -8.202 -8.674 7.614 436 H LYS 53 H LYS 53 -4.346 -11.475 6.195 437 HA LYS 53 HA LYS 53 -2.655 -12.429 8.353 438 HB2 LYS 53 HB2 LYS 53 -3.927 -13.572 5.888 439 HB3 LYS 53 HB3 LYS 53 -2.438 -14.341 6.425 440 HG2 LYS 53 HG2 LYS 53 -4.401 -15.413 7.409 441 HG3 LYS 53 HG3 LYS 53 -3.294 -14.766 8.620 442 HD2 LYS 53 HD2 LYS 53 -4.859 -12.819 8.951 443 HD3 LYS 53 HD3 LYS 53 -5.939 -13.541 7.744 444 HE2 LYS 53 HE2 LYS 53 -6.714 -14.109 9.968 445 HE3 LYS 53 HE3 LYS 53 -6.134 -15.578 9.162 446 HZ1 LYS 53 HZ1 LYS 53 -4.142 -15.435 10.477 447 HZ2 LYS 53 HZ2 LYS 53 -5.477 -15.388 11.452 448 HZ3 LYS 53 HZ3 LYS 53 -4.659 -14.015 11.187 449 H GLU 54 H GLU 54 -1.981 -10.867 5.271 450 HA GLU 54 HA GLU 54 0.820 -11.634 5.238 451 HB2 GLU 54 HB2 GLU 54 -0.880 -9.508 3.940 452 HB3 GLU 54 HB3 GLU 54 0.886 -9.409 3.855 453 HG2 GLU 54 HG2 GLU 54 -0.552 -11.953 3.064 454 HG3 GLU 54 HG3 GLU 54 -0.362 -10.621 1.926 455 H ASN 55 H ASN 55 -1.041 -9.234 7.033 456 HA ASN 55 HA ASN 55 -0.528 -8.013 8.851 457 HB2 ASN 55 HB2 ASN 55 0.807 -10.036 9.489 458 HB3 ASN 55 HB3 ASN 55 2.240 -9.221 8.845 459 HD21 ASN 55 HD21 ASN 55 -0.324 -8.859 11.414 460 HD22 ASN 55 HD22 ASN 55 0.812 -8.050 12.453 461 H VAL 56 H VAL 56 -0.204 -6.834 6.243 462 HA VAL 56 HA VAL 56 1.936 -5.391 5.616 463 HB VAL 56 HB VAL 56 -0.583 -3.770 5.719 464 HG11 VAL 56 HG11 VAL 56 1.343 -2.873 4.604 465 HG12 VAL 56 HG12 VAL 56 1.423 -4.284 3.525 466 HG13 VAL 56 HG13 VAL 56 0.039 -3.150 3.467 467 HG21 VAL 56 HG21 VAL 56 -1.665 -5.789 5.079 468 HG22 VAL 56 HG22 VAL 56 -1.330 -4.897 3.584 469 HG23 VAL 56 HG23 VAL 56 -0.305 -6.278 4.041 470 H ASN 57 H ASN 57 3.071 -3.672 6.140 471 HA ASN 57 HA ASN 57 3.034 -2.422 8.767 472 HB2 ASN 57 HB2 ASN 57 5.102 -2.881 7.539 473 HB3 ASN 57 HB3 ASN 57 4.632 -1.843 6.227 474 HD21 ASN 57 HD21 ASN 57 6.624 -1.867 8.727 475 HD22 ASN 57 HD22 ASN 57 6.696 -0.145 9.042 476 H ALA 58 H ALA 58 2.396 -1.400 5.348 477 HA ALA 58 HA ALA 58 0.599 0.712 6.352 478 HB1 ALA 58 HB1 ALA 58 2.783 1.712 6.589 479 HB2 ALA 58 HB2 ALA 58 3.217 1.260 4.939 480 HB3 ALA 58 HB3 ALA 58 1.944 2.451 5.235 481 H ILE 59 H ILE 59 -0.432 2.027 4.573 482 HA ILE 59 HA ILE 59 -0.596 0.561 1.972 483 HB ILE 59 HB ILE 59 -2.631 2.206 3.538 484 HG12 ILE 59 HG12 ILE 59 -2.670 -0.714 2.654 485 HG13 ILE 59 HG13 ILE 59 -2.188 -0.175 4.242 486 HG21 ILE 59 HG21 ILE 59 -2.954 2.722 1.158 487 HG22 ILE 59 HG22 ILE 59 -2.946 0.987 0.757 488 HG23 ILE 59 HG23 ILE 59 -4.255 1.702 1.739 489 HD11 ILE 59 HD11 ILE 59 -4.357 -0.816 4.615 490 HD12 ILE 59 HD12 ILE 59 -4.522 0.937 4.402 491 HD13 ILE 59 HD13 ILE 59 -4.928 -0.143 3.058 492 H ILE 60 H ILE 60 -0.416 2.080 0.076 493 HA ILE 60 HA ILE 60 0.030 5.005 0.538 494 HB ILE 60 HB ILE 60 1.164 3.126 -1.602 495 HG12 ILE 60 HG12 ILE 60 2.581 4.488 0.709 496 HG13 ILE 60 HG13 ILE 60 2.280 2.769 0.536 497 HG21 ILE 60 HG21 ILE 60 0.699 5.611 -2.233 498 HG22 ILE 60 HG22 ILE 60 2.056 5.996 -1.201 499 HG23 ILE 60 HG23 ILE 60 2.287 4.948 -2.601 500 HD11 ILE 60 HD11 ILE 60 4.159 4.414 -1.185 501 HD12 ILE 60 HD12 ILE 60 4.572 3.146 -0.020 502 HD13 ILE 60 HD13 ILE 60 3.704 2.730 -1.507 503 H CYS 61 H CYS 61 -1.765 6.141 -0.377 504 HA CYS 61 HA CYS 61 -2.861 5.132 -2.891 505 HB2 CYS 61 HB2 CYS 61 -5.172 4.909 -2.135 506 HB3 CYS 61 HB3 CYS 61 -4.156 3.764 -1.336 507 HG CYS 61 HG CYS 61 -3.653 5.703 0.690 508 H LYS 62 H LYS 62 -4.242 6.696 -3.925 509 HA LYS 62 HA LYS 62 -3.520 9.424 -3.272 510 HB2 LYS 62 HB2 LYS 62 -5.613 8.411 -5.224 511 HB3 LYS 62 HB3 LYS 62 -4.993 10.050 -5.149 512 HG2 LYS 62 HG2 LYS 62 -2.691 9.124 -5.640 513 HG3 LYS 62 HG3 LYS 62 -3.462 7.543 -5.916 514 HD2 LYS 62 HD2 LYS 62 -4.921 8.755 -7.681 515 HD3 LYS 62 HD3 LYS 62 -3.809 10.137 -7.461 516 HE2 LYS 62 HE2 LYS 62 -1.965 8.255 -7.793 517 HE3 LYS 62 HE3 LYS 62 -3.261 7.369 -8.587 518 HZ1 LYS 62 HZ1 LYS 62 -2.046 8.607 -10.202 519 HZ2 LYS 62 HZ2 LYS 62 -2.111 9.976 -9.327 520 HZ3 LYS 62 HZ3 LYS 62 -3.478 9.391 -10.059 521 H ASN 63 H ASN 63 -6.247 7.347 -2.283 522 HA ASN 63 HA ASN 63 -7.460 9.288 -0.630 523 HB2 ASN 63 HB2 ASN 63 -8.588 8.958 -3.421 524 HB3 ASN 63 HB3 ASN 63 -9.703 9.023 -2.072 525 HD21 ASN 63 HD21 ASN 63 -8.119 11.009 -4.315 526 HD22 ASN 63 HD22 ASN 63 -7.936 12.439 -3.303 527 H ILE 64 H ILE 64 -9.504 8.189 0.248 528 HA ILE 64 HA ILE 64 -9.614 5.271 -0.217 529 HB ILE 64 HB ILE 64 -7.693 5.462 1.145 530 HG12 ILE 64 HG12 ILE 64 -9.942 4.671 3.017 531 HG13 ILE 64 HG13 ILE 64 -9.376 3.677 1.667 532 HG21 ILE 64 HG21 ILE 64 -7.460 6.621 3.221 533 HG22 ILE 64 HG22 ILE 64 -8.064 7.764 2.073 534 HG23 ILE 64 HG23 ILE 64 -9.197 7.075 3.243 535 HD11 ILE 64 HD11 ILE 64 -7.691 4.532 4.073 536 HD12 ILE 64 HD12 ILE 64 -8.399 2.934 3.776 537 HD13 ILE 64 HD13 ILE 64 -7.120 3.551 2.691 538 H SER 65 H SER 65 -11.623 4.519 0.059 539 HA SER 65 HA SER 65 -13.847 6.048 0.741 540 HB2 SER 65 HB2 SER 65 -13.530 3.603 -0.287 541 HB3 SER 65 HB3 SER 65 -13.857 3.097 1.391 542 HG SER 65 HG SER 65 -15.634 3.288 -0.103 543 H GLU 66 H GLU 66 -15.081 6.241 2.586 544 HA GLU 66 HA GLU 66 -13.726 6.638 4.979 545 HB2 GLU 66 HB2 GLU 66 -15.831 7.725 4.175 546 HB3 GLU 66 HB3 GLU 66 -16.726 6.257 4.588 547 HG2 GLU 66 HG2 GLU 66 -15.048 7.423 6.763 548 HG3 GLU 66 HG3 GLU 66 -16.341 8.440 6.181 549 H GLU 67 H GLU 67 -15.963 3.967 4.144 550 HA GLU 67 HA GLU 67 -15.826 2.555 6.517 551 HB2 GLU 67 HB2 GLU 67 -17.071 2.048 4.125 552 HB3 GLU 67 HB3 GLU 67 -15.775 0.888 4.009 553 HG2 GLU 67 HG2 GLU 67 -16.435 0.202 6.470 554 HG3 GLU 67 HG3 GLU 67 -17.954 1.012 6.118 555 H ASN 68 H ASN 68 -13.673 2.424 3.756 556 HA ASN 68 HA ASN 68 -12.033 0.208 4.667 557 HB2 ASN 68 HB2 ASN 68 -11.873 2.207 2.382 558 HB3 ASN 68 HB3 ASN 68 -10.388 1.390 2.885 559 HD21 ASN 68 HD21 ASN 68 -12.152 1.028 0.226 560 HD22 ASN 68 HD22 ASN 68 -12.005 -0.681 0.189 561 H TYR 69 H TYR 69 -11.647 3.781 4.793 562 HA TYR 69 HA TYR 69 -9.060 3.792 5.946 563 HB2 TYR 69 HB2 TYR 69 -10.244 5.825 5.128 564 HB3 TYR 69 HB3 TYR 69 -11.321 5.758 6.507 565 HD1 TYR 69 HD2 TYR 69 -10.397 6.200 8.866 566 HD2 TYR 69 HD1 TYR 69 -7.964 6.584 5.322 567 HE1 TYR 69 HE2 TYR 69 -8.727 7.448 10.154 568 HE2 TYR 69 HE1 TYR 69 -6.297 7.855 6.592 569 HH TYR 69 HH TYR 69 -5.724 8.767 8.592 570 H LYS 70 H LYS 70 -12.175 4.111 7.677 571 HA LYS 70 HA LYS 70 -11.083 4.000 10.267 572 HB2 LYS 70 HB2 LYS 70 -13.799 3.324 9.098 573 HB3 LYS 70 HB3 LYS 70 -13.542 3.279 10.829 574 HG2 LYS 70 HG2 LYS 70 -13.535 5.545 11.066 575 HG3 LYS 70 HG3 LYS 70 -12.678 5.843 9.551 576 HD2 LYS 70 HD2 LYS 70 -14.594 5.916 8.281 577 HD3 LYS 70 HD3 LYS 70 -15.452 4.785 9.286 578 HE2 LYS 70 HE2 LYS 70 -16.686 6.481 9.863 579 HE3 LYS 70 HE3 LYS 70 -15.404 6.793 11.050 580 HZ1 LYS 70 HZ1 LYS 70 -14.595 8.383 9.158 581 HZ2 LYS 70 HZ2 LYS 70 -15.902 8.790 10.092 582 HZ3 LYS 70 HZ3 LYS 70 -16.181 8.195 8.644 583 H LYS 71 H LYS 71 -12.029 1.354 8.130 584 HA LYS 71 HA LYS 71 -11.955 -0.831 9.994 585 HB2 LYS 71 HB2 LYS 71 -13.144 -0.694 7.872 586 HB3 LYS 71 HB3 LYS 71 -11.607 -0.719 6.995 587 HG2 LYS 71 HG2 LYS 71 -11.323 -3.001 7.366 588 HG3 LYS 71 HG3 LYS 71 -12.251 -2.987 8.886 589 HD2 LYS 71 HD2 LYS 71 -14.342 -2.759 7.756 590 HD3 LYS 71 HD3 LYS 71 -13.565 -2.426 6.211 591 HE2 LYS 71 HE2 LYS 71 -12.739 -4.680 6.042 592 HE3 LYS 71 HE3 LYS 71 -13.315 -5.086 7.664 593 HZ1 LYS 71 HZ1 LYS 71 -14.894 -5.875 6.015 594 HZ2 LYS 71 HZ2 LYS 71 -15.094 -4.358 5.393 595 HZ3 LYS 71 HZ3 LYS 71 -15.574 -4.703 6.915 596 H PHE 72 H PHE 72 -9.465 0.644 7.885 597 HA PHE 72 HA PHE 72 -7.604 -1.527 8.677 598 HB2 PHE 72 HB2 PHE 72 -7.635 0.471 6.425 599 HB3 PHE 72 HB3 PHE 72 -6.190 -0.404 6.893 600 HD1 PHE 72 HD2 PHE 72 -6.073 -2.823 6.986 601 HD2 PHE 72 HD1 PHE 72 -9.217 -0.752 4.946 602 HE1 PHE 72 HE2 PHE 72 -6.485 -4.853 5.597 603 HE2 PHE 72 HE1 PHE 72 -9.685 -2.765 3.591 604 HZ PHE 72 HZ PHE 72 -8.269 -4.829 3.880 605 H SER 73 H SER 73 -8.169 1.828 9.379 606 HA SER 73 HA SER 73 -5.582 2.645 9.874 607 HB2 SER 73 HB2 SER 73 -6.677 4.637 10.879 608 HB3 SER 73 HB3 SER 73 -7.346 4.147 9.334 609 HG SER 73 HG SER 73 -8.520 3.297 11.791 610 H LYS 74 H LYS 74 -6.322 0.227 11.698 611 HA LYS 74 HA LYS 74 -5.714 1.463 14.362 612 HB2 LYS 74 HB2 LYS 74 -7.842 0.033 13.935 613 HB3 LYS 74 HB3 LYS 74 -6.719 -1.327 13.857 614 HG2 LYS 74 HG2 LYS 74 -5.930 -0.256 16.227 615 HG3 LYS 74 HG3 LYS 74 -7.557 0.378 16.210 616 HD2 LYS 74 HD2 LYS 74 -8.507 -1.736 16.524 617 HD3 LYS 74 HD3 LYS 74 -7.275 -2.545 15.558 618 HE2 LYS 74 HE2 LYS 74 -6.520 -3.324 17.512 619 HE3 LYS 74 HE3 LYS 74 -5.655 -1.792 17.545 620 HZ1 LYS 74 HZ1 LYS 74 -7.541 -0.923 18.888 621 HZ2 LYS 74 HZ2 LYS 74 -6.700 -2.137 19.609 622 HZ3 LYS 74 HZ3 LYS 74 -8.159 -2.466 18.934 623 H LYS 75 H LYS 75 -4.248 -0.525 11.910 624 HA LYS 75 HA LYS 75 -1.931 -0.787 13.661 625 HB2 LYS 75 HB2 LYS 75 -1.551 -2.984 13.567 626 HB3 LYS 75 HB3 LYS 75 -3.262 -2.939 13.925 627 HG2 LYS 75 HG2 LYS 75 -3.360 -4.596 12.436 628 HG3 LYS 75 HG3 LYS 75 -3.391 -3.303 11.252 629 HD2 LYS 75 HD2 LYS 75 -0.901 -3.532 10.981 630 HD3 LYS 75 HD3 LYS 75 -0.866 -4.775 12.229 631 HE2 LYS 75 HE2 LYS 75 -2.377 -4.996 9.594 632 HE3 LYS 75 HE3 LYS 75 -0.737 -5.598 9.862 633 HZ1 LYS 75 HZ1 LYS 75 -3.105 -6.536 11.399 634 HZ2 LYS 75 HZ2 LYS 75 -1.615 -7.148 11.470 635 HZ3 LYS 75 HZ3 LYS 75 -2.491 -7.296 10.092 636 H ILE 76 H ILE 76 -3.311 -1.052 10.495 637 HA ILE 76 HA ILE 76 -0.648 -0.855 9.235 638 HB ILE 76 HB ILE 76 -3.348 -0.843 7.861 639 HG12 ILE 76 HG12 ILE 76 -1.832 -3.308 8.547 640 HG13 ILE 76 HG13 ILE 76 -3.428 -2.819 9.109 641 HG21 ILE 76 HG21 ILE 76 -2.001 -1.626 5.902 642 HG22 ILE 76 HG22 ILE 76 -1.448 -0.075 6.520 643 HG23 ILE 76 HG23 ILE 76 -0.557 -1.566 6.908 644 HD11 ILE 76 HD11 ILE 76 -2.655 -3.900 6.438 645 HD12 ILE 76 HD12 ILE 76 -4.069 -4.251 7.438 646 HD13 ILE 76 HD13 ILE 76 -3.980 -2.739 6.516 647 H GLU 77 H GLU 77 0.187 1.080 8.709 648 HA GLU 77 HA GLU 77 -1.267 3.556 9.309 649 HB2 GLU 77 HB2 GLU 77 1.519 2.911 8.326 650 HB3 GLU 77 HB3 GLU 77 0.948 4.562 8.669 651 HG2 GLU 77 HG2 GLU 77 0.591 4.126 10.970 652 HG3 GLU 77 HG3 GLU 77 0.674 2.385 10.790 653 H ILE 78 H ILE 78 -2.121 5.068 7.668 654 HA ILE 78 HA ILE 78 -1.874 4.163 4.861 655 HB ILE 78 HB ILE 78 -3.920 5.983 6.224 656 HG12 ILE 78 HG12 ILE 78 -4.932 3.518 5.078 657 HG13 ILE 78 HG13 ILE 78 -3.660 3.139 6.140 658 HG21 ILE 78 HG21 ILE 78 -3.599 6.527 3.826 659 HG22 ILE 78 HG22 ILE 78 -3.832 4.836 3.388 660 HG23 ILE 78 HG23 ILE 78 -5.173 5.765 4.095 661 HD11 ILE 78 HD11 ILE 78 -4.745 4.301 7.988 662 HD12 ILE 78 HD12 ILE 78 -6.057 4.839 6.906 663 HD13 ILE 78 HD13 ILE 78 -5.867 3.117 7.276 664 H TYR 79 H TYR 79 -0.647 5.237 3.619 665 HA TYR 79 HA TYR 79 0.118 8.025 4.173 666 HB2 TYR 79 HB2 TYR 79 1.480 5.814 2.633 667 HB3 TYR 79 HB3 TYR 79 2.004 7.482 2.665 668 HD1 TYR 79 HD1 TYR 79 1.411 4.480 4.879 669 HD2 TYR 79 HD2 TYR 79 3.228 8.373 4.553 670 HE1 TYR 79 HE1 TYR 79 2.732 4.069 6.942 671 HE2 TYR 79 HE2 TYR 79 4.501 7.974 6.619 672 HH TYR 79 HH TYR 79 5.013 6.378 8.303 673 H HIS 80 H HIS 80 0.209 9.389 2.362 674 HA HIS 80 HA HIS 80 -2.035 9.092 0.558 675 HB2 HIS 80 HB2 HIS 80 -0.981 11.222 1.650 676 HB3 HIS 80 HB3 HIS 80 0.183 11.131 0.358 677 HD1 HIS 80 HD1 HIS 80 -0.903 13.636 -0.201 678 HD2 HIS 80 HD2 HIS 80 -3.447 10.283 -0.617 679 HE1 HIS 80 HE1 HIS 80 -3.037 14.414 -1.479 680 H ALA 81 H ALA 81 -1.378 9.536 -1.906 681 HA ALA 81 HA ALA 81 1.114 8.176 -2.671 682 HB1 ALA 81 HB1 ALA 81 0.079 7.252 -4.679 683 HB2 ALA 81 HB2 ALA 81 -0.817 6.635 -3.271 684 HB3 ALA 81 HB3 ALA 81 -1.481 7.949 -4.235 685 H GLU 82 H GLU 82 2.136 8.920 -4.199 686 HA GLU 82 HA GLU 82 1.845 11.701 -4.919 687 HB2 GLU 82 HB2 GLU 82 4.073 9.699 -4.496 688 HB3 GLU 82 HB3 GLU 82 4.404 11.276 -5.150 689 HG2 GLU 82 HG2 GLU 82 4.763 11.408 -2.782 690 HG3 GLU 82 HG3 GLU 82 3.331 12.345 -3.165 691 H GLY 83 H GLY 83 3.700 11.576 -7.068 692 HA2 GLY 83 HA2 GLY 83 2.124 11.423 -9.407 693 HA3 GLY 83 HA3 GLY 83 3.864 11.276 -9.276 694 H ASP 84 H ASP 84 2.618 9.918 -11.274 695 HA ASP 84 HA ASP 84 1.521 7.321 -10.768 696 HB2 ASP 84 HB2 ASP 84 1.045 7.607 -12.833 697 HB3 ASP 84 HB3 ASP 84 2.281 8.966 -13.027 698 H ASP 85 H ASP 85 4.692 8.526 -10.611 699 HA ASP 85 HA ASP 85 5.949 6.137 -11.573 700 HB2 ASP 85 HB2 ASP 85 6.857 8.672 -11.107 701 HB3 ASP 85 HB3 ASP 85 7.561 7.861 -9.768 702 H VAL 86 H VAL 86 5.358 4.344 -10.492 703 HA VAL 86 HA VAL 86 4.883 3.998 -7.804 704 HB VAL 86 HB VAL 86 5.842 2.197 -10.020 705 HG11 VAL 86 HG11 VAL 86 5.419 0.227 -8.570 706 HG12 VAL 86 HG12 VAL 86 6.790 1.162 -8.023 707 HG13 VAL 86 HG13 VAL 86 5.250 1.296 -7.147 708 HG21 VAL 86 HG21 VAL 86 3.250 2.238 -8.479 709 HG22 VAL 86 HG22 VAL 86 3.525 3.002 -10.068 710 HG23 VAL 86 HG23 VAL 86 3.662 1.248 -9.895 711 H ASP 87 H ASP 87 8.039 4.125 -9.586 712 HA ASP 87 HA ASP 87 9.586 3.001 -7.431 713 HB2 ASP 87 HB2 ASP 87 10.166 4.157 -10.106 714 HB3 ASP 87 HB3 ASP 87 11.412 4.429 -8.896 715 H LYS 88 H LYS 88 8.798 6.386 -8.424 716 HA LYS 88 HA LYS 88 10.323 7.648 -6.325 717 HB2 LYS 88 HB2 LYS 88 9.514 8.940 -8.204 718 HB3 LYS 88 HB3 LYS 88 7.877 8.437 -7.894 719 HG2 LYS 88 HG2 LYS 88 8.250 10.792 -7.313 720 HG3 LYS 88 HG3 LYS 88 7.615 9.801 -6.017 721 HD2 LYS 88 HD2 LYS 88 9.125 11.262 -5.029 722 HD3 LYS 88 HD3 LYS 88 9.854 9.671 -5.011 723 HE2 LYS 88 HE2 LYS 88 11.646 11.066 -5.460 724 HE3 LYS 88 HE3 LYS 88 11.235 10.419 -7.050 725 HZ1 LYS 88 HZ1 LYS 88 10.300 13.071 -6.122 726 HZ2 LYS 88 HZ2 LYS 88 10.272 12.413 -7.657 727 HZ3 LYS 88 HZ3 LYS 88 11.678 12.830 -6.962 728 H ASN 89 H ASN 89 7.002 6.201 -6.379 729 HA ASN 89 HA ASN 89 6.326 7.256 -3.766 730 HB2 ASN 89 HB2 ASN 89 5.191 5.099 -5.576 731 HB3 ASN 89 HB3 ASN 89 4.591 5.316 -3.936 732 HD21 ASN 89 HD21 ASN 89 5.269 7.294 -6.826 733 HD22 ASN 89 HD22 ASN 89 3.874 8.326 -6.662 734 H ILE 90 H ILE 90 7.822 4.237 -4.885 735 HA ILE 90 HA ILE 90 7.701 2.849 -2.364 736 HB ILE 90 HB ILE 90 9.437 2.483 -4.837 737 HG12 ILE 90 HG12 ILE 90 7.148 0.714 -3.831 738 HG13 ILE 90 HG13 ILE 90 6.916 1.989 -4.986 739 HG21 ILE 90 HG21 ILE 90 9.246 0.637 -2.411 740 HG22 ILE 90 HG22 ILE 90 10.128 0.285 -3.920 741 HG23 ILE 90 HG23 ILE 90 10.668 1.589 -2.904 742 HD11 ILE 90 HD11 ILE 90 8.563 0.898 -6.526 743 HD12 ILE 90 HD12 ILE 90 8.696 -0.449 -5.374 744 HD13 ILE 90 HD13 ILE 90 7.151 -0.122 -6.138 745 H SER 91 H SER 91 10.252 4.804 -3.999 746 HA SER 91 HA SER 91 12.141 4.447 -1.888 747 HB2 SER 91 HB2 SER 91 13.282 6.426 -2.998 748 HB3 SER 91 HB3 SER 91 13.035 4.966 -3.963 749 HG SER 91 HG SER 91 11.371 5.924 -5.045 750 H LEU 92 H LEU 92 9.601 6.959 -2.400 751 HA LEU 92 HA LEU 92 10.464 8.684 -0.275 752 HB2 LEU 92 HB2 LEU 92 7.704 8.067 -1.404 753 HB3 LEU 92 HB3 LEU 92 8.016 9.309 -0.199 754 HG LEU 92 HG LEU 92 9.300 9.371 -2.926 755 HD11 LEU 92 HD11 LEU 92 7.494 10.927 -3.606 756 HD12 LEU 92 HD12 LEU 92 6.777 10.818 -2.014 757 HD13 LEU 92 HD13 LEU 92 6.765 9.405 -3.074 758 HD21 LEU 92 HD21 LEU 92 10.376 10.787 -1.184 759 HD22 LEU 92 HD22 LEU 92 8.827 11.633 -0.976 760 HD23 LEU 92 HD23 LEU 92 9.680 11.716 -2.512 761 H PHE 93 H PHE 93 8.272 5.860 -0.421 762 HA PHE 93 HA PHE 93 7.367 5.941 2.217 763 HB2 PHE 93 HB2 PHE 93 6.246 4.563 0.680 764 HB3 PHE 93 HB3 PHE 93 7.698 3.665 0.240 765 HD1 PHE 93 HD1 PHE 93 5.683 4.496 3.298 766 HD2 PHE 93 HD2 PHE 93 8.124 1.531 1.263 767 HE1 PHE 93 HE1 PHE 93 5.242 2.859 5.117 768 HE2 PHE 93 HE2 PHE 93 7.623 -0.058 2.999 769 HZ PHE 93 HZ PHE 93 6.153 0.546 4.939 770 H ILE 94 H ILE 94 10.004 3.906 0.943 771 HA ILE 94 HA ILE 94 10.923 2.754 3.247 772 HB ILE 94 HB ILE 94 12.306 3.606 0.680 773 HG12 ILE 94 HG12 ILE 94 11.457 0.826 1.627 774 HG13 ILE 94 HG13 ILE 94 10.415 1.876 0.666 775 HG21 ILE 94 HG21 ILE 94 14.117 3.340 2.300 776 HG22 ILE 94 HG22 ILE 94 13.491 1.754 2.785 777 HG23 ILE 94 HG23 ILE 94 14.129 2.020 1.161 778 HD11 ILE 94 HD11 ILE 94 11.446 0.366 -0.863 779 HD12 ILE 94 HD12 ILE 94 12.180 1.951 -1.118 780 HD13 ILE 94 HD13 ILE 94 13.052 0.684 -0.233 781 H GLU 95 H GLU 95 11.682 6.064 2.104 782 HA GLU 95 HA GLU 95 13.619 6.528 4.224 783 HB2 GLU 95 HB2 GLU 95 12.368 8.029 1.920 784 HB3 GLU 95 HB3 GLU 95 13.284 8.932 3.126 785 HG2 GLU 95 HG2 GLU 95 14.382 6.448 1.728 786 HG3 GLU 95 HG3 GLU 95 14.597 8.074 1.108 787 H GLY 96 H GLY 96 10.138 6.768 4.140 788 HA2 GLY 96 HA2 GLY 96 8.755 7.483 5.901 789 HA3 GLY 96 HA3 GLY 96 10.135 8.157 6.745 790 H GLU 97 H GLU 97 9.605 8.975 3.310 791 HA GLU 97 HA GLU 97 9.298 11.803 3.961 792 HB2 GLU 97 HB2 GLU 97 10.211 10.085 1.792 793 HB3 GLU 97 HB3 GLU 97 8.947 11.117 1.169 794 HG2 GLU 97 HG2 GLU 97 11.082 12.413 2.833 795 HG3 GLU 97 HG3 GLU 97 11.565 11.727 1.285 796 H LEU 98 H LEU 98 7.145 9.115 3.243 797 HA LEU 98 HA LEU 98 5.207 10.779 1.837 798 HB2 LEU 98 HB2 LEU 98 4.982 7.978 3.014 799 HB3 LEU 98 HB3 LEU 98 3.696 8.813 2.141 800 HG LEU 98 HG LEU 98 6.393 7.965 0.974 801 HD11 LEU 98 HD11 LEU 98 4.985 6.523 -0.406 802 HD12 LEU 98 HD12 LEU 98 3.499 7.176 0.319 803 HD13 LEU 98 HD13 LEU 98 4.624 6.197 1.306 804 HD21 LEU 98 HD21 LEU 98 4.152 9.677 -0.094 805 HD22 LEU 98 HD22 LEU 98 5.192 8.824 -1.220 806 HD23 LEU 98 HD23 LEU 98 5.869 10.054 -0.117 807 H SER 99 H SER 99 3.404 11.697 2.505 808 HA SER 99 HA SER 99 3.037 12.180 5.368 809 HB2 SER 99 HB2 SER 99 2.025 13.314 2.805 810 HB3 SER 99 HB3 SER 99 0.917 13.417 4.190 811 HG SER 99 HG SER 99 2.589 15.150 3.828 812 H LYS 100 H LYS 100 1.547 11.361 6.697 813 HA LYS 100 HA LYS 100 -0.002 9.079 5.780 814 HB2 LYS 100 HB2 LYS 100 0.336 10.390 8.473 815 HB3 LYS 100 HB3 LYS 100 -0.869 9.116 8.175 816 HG2 LYS 100 HG2 LYS 100 0.856 7.580 7.369 817 HG3 LYS 100 HG3 LYS 100 2.085 8.833 7.499 818 HD2 LYS 100 HD2 LYS 100 2.242 7.118 9.235 819 HD3 LYS 100 HD3 LYS 100 2.110 8.737 9.884 820 HE2 LYS 100 HE2 LYS 100 -0.336 6.946 9.579 821 HE3 LYS 100 HE3 LYS 100 0.768 6.772 10.953 822 HZ1 LYS 100 HZ1 LYS 100 0.428 9.056 11.503 823 HZ2 LYS 100 HZ2 LYS 100 -1.008 8.259 11.521 824 HZ3 LYS 100 HZ3 LYS 100 -0.627 9.284 10.280 825 H ILE 101 H ILE 101 -2.210 8.919 5.577 826 HA ILE 101 HA ILE 101 -3.628 11.418 4.909 827 HB ILE 101 HB ILE 101 -4.437 8.483 4.812 828 HG12 ILE 101 HG12 ILE 101 -3.834 10.606 2.691 829 HG13 ILE 101 HG13 ILE 101 -2.864 9.193 3.068 830 HG21 ILE 101 HG21 ILE 101 -6.425 9.879 5.373 831 HG22 ILE 101 HG22 ILE 101 -6.098 10.900 3.961 832 HG23 ILE 101 HG23 ILE 101 -6.551 9.194 3.774 833 HD11 ILE 101 HD11 ILE 101 -4.053 8.713 1.052 834 HD12 ILE 101 HD12 ILE 101 -4.832 7.755 2.313 835 HD13 ILE 101 HD13 ILE 101 -5.583 9.252 1.715 836 H SER 102 H SER 102 -4.184 12.649 6.643 837 HA SER 102 HA SER 102 -5.220 11.505 9.121 838 HB2 SER 102 HB2 SER 102 -5.616 14.002 9.522 839 HB3 SER 102 HB3 SER 102 -3.938 13.440 9.414 840 HG SER 102 HG SER 102 -5.464 14.705 7.387 841 H ASN 103 H ASN 103 -6.942 10.309 8.300 842 HA ASN 103 HA ASN 103 -9.113 9.825 7.993 843 HB2 ASN 103 HB2 ASN 103 -9.549 12.832 8.285 844 HB3 ASN 103 HB3 ASN 103 -10.838 11.732 7.948 845 HD21 ASN 103 HD21 ASN 103 -8.173 10.798 10.133 846 HD22 ASN 103 HD22 ASN 103 -9.070 11.066 11.598 847 HA PRO 104 HA PRO 104 -10.165 10.591 3.597 848 HB2 PRO 104 HB2 PRO 104 -12.922 10.656 3.741 849 HB3 PRO 104 HB3 PRO 104 -11.954 9.163 3.603 850 HG2 PRO 104 HG2 PRO 104 -13.093 10.426 6.105 851 HG3 PRO 104 HG3 PRO 104 -13.128 8.708 5.621 852 HD2 PRO 104 HD2 PRO 104 -11.295 9.597 7.383 853 HD3 PRO 104 HD3 PRO 104 -10.831 8.422 6.133 Start of MODEL 19 1 H1 GLY -2 H GLY -2 18.058 -0.082 10.416 2 HA2 GLY -2 HA2 GLY -2 20.648 0.219 9.020 3 HA3 GLY -2 HA3 GLY -2 20.269 -1.206 9.994 4 H HIS -1 H HIS -1 19.613 0.569 7.022 5 HA HIS -1 HA HIS -1 18.717 0.056 5.093 6 HB2 HIS -1 HB2 HIS -1 19.587 -2.772 5.747 7 HB3 HIS -1 HB3 HIS -1 19.436 -2.045 4.154 8 HD1 HIS -1 HD1 HIS -1 21.322 -0.112 3.528 9 HD2 HIS -1 HD2 HIS -1 21.858 -2.367 7.055 10 HE1 HIS -1 HE1 HIS -1 23.687 0.369 4.329 11 H MET 1 H MET 1 16.715 -0.575 7.461 12 HA MET 1 HA MET 1 14.876 -1.638 7.941 13 HB2 MET 1 HB2 MET 1 14.175 0.003 6.032 14 HB3 MET 1 HB3 MET 1 14.019 -1.463 5.050 15 HG2 MET 1 HG2 MET 1 12.870 -1.801 7.766 16 HG3 MET 1 HG3 MET 1 12.151 -0.413 6.928 17 HE1 MET 1 HE1 MET 1 9.884 -1.482 7.388 18 HE2 MET 1 HE2 MET 1 9.549 -3.208 7.129 19 HE3 MET 1 HE3 MET 1 10.786 -2.729 8.269 20 H ILE 2 H ILE 2 14.121 -3.548 8.393 21 HA ILE 2 HA ILE 2 14.238 -5.736 6.372 22 HB ILE 2 HB ILE 2 14.530 -5.897 9.386 23 HG12 ILE 2 HG12 ILE 2 16.587 -4.971 8.347 24 HG13 ILE 2 HG13 ILE 2 16.828 -6.560 9.027 25 HG21 ILE 2 HG21 ILE 2 13.447 -7.822 8.672 26 HG22 ILE 2 HG22 ILE 2 14.454 -7.962 7.203 27 HG23 ILE 2 HG23 ILE 2 15.161 -8.298 8.808 28 HD11 ILE 2 HD11 ILE 2 16.796 -7.564 6.759 29 HD12 ILE 2 HD12 ILE 2 16.462 -5.965 6.055 30 HD13 ILE 2 HD13 ILE 2 17.993 -6.267 6.885 31 H ASN 3 H ASN 3 12.479 -7.046 6.225 32 HA ASN 3 HA ASN 3 10.461 -7.827 6.257 33 HB2 ASN 3 HB2 ASN 3 11.266 -8.425 8.533 34 HB3 ASN 3 HB3 ASN 3 10.343 -7.073 9.187 35 HD21 ASN 3 HD21 ASN 3 8.063 -7.455 9.540 36 HD22 ASN 3 HD22 ASN 3 7.326 -9.000 9.174 37 H MET 4 H MET 4 10.215 -5.567 4.905 38 HA MET 4 HA MET 4 7.974 -3.965 6.004 39 HB2 MET 4 HB2 MET 4 9.733 -3.063 4.315 40 HB3 MET 4 HB3 MET 4 8.837 -3.982 3.104 41 HG2 MET 4 HG2 MET 4 8.226 -1.623 3.190 42 HG3 MET 4 HG3 MET 4 6.870 -2.705 3.463 43 HE1 MET 4 HE1 MET 4 9.609 -0.501 5.207 44 HE2 MET 4 HE2 MET 4 8.402 0.559 4.447 45 HE3 MET 4 HE3 MET 4 8.559 0.512 6.216 46 H LYS 5 H LYS 5 5.806 -4.104 5.300 47 HA LYS 5 HA LYS 5 5.431 -5.468 2.787 48 HB2 LYS 5 HB2 LYS 5 3.985 -6.244 5.343 49 HB3 LYS 5 HB3 LYS 5 3.229 -6.366 3.753 50 HG2 LYS 5 HG2 LYS 5 5.142 -7.793 2.970 51 HG3 LYS 5 HG3 LYS 5 5.809 -7.683 4.591 52 HD2 LYS 5 HD2 LYS 5 4.900 -9.715 4.708 53 HD3 LYS 5 HD3 LYS 5 3.616 -8.726 5.429 54 HE2 LYS 5 HE2 LYS 5 2.375 -8.770 3.279 55 HE3 LYS 5 HE3 LYS 5 3.738 -9.555 2.482 56 HZ1 LYS 5 HZ1 LYS 5 2.145 -10.695 4.668 57 HZ2 LYS 5 HZ2 LYS 5 3.403 -11.465 3.941 58 HZ3 LYS 5 HZ3 LYS 5 2.018 -11.114 3.074 59 H VAL 6 H VAL 6 4.149 -3.995 1.562 60 HA VAL 6 HA VAL 6 2.330 -2.092 2.875 61 HB VAL 6 HB VAL 6 4.699 -1.316 1.785 62 HG11 VAL 6 HG11 VAL 6 4.361 -2.794 0.111 63 HG12 VAL 6 HG12 VAL 6 3.229 -1.580 -0.635 64 HG13 VAL 6 HG13 VAL 6 4.913 -1.126 -0.194 65 HG21 VAL 6 HG21 VAL 6 4.049 0.531 0.547 66 HG22 VAL 6 HG22 VAL 6 3.004 0.627 1.970 67 HG23 VAL 6 HG23 VAL 6 2.333 -0.004 0.461 68 H ALA 7 H ALA 7 0.487 -1.544 1.303 69 HA ALA 7 HA ALA 7 0.140 -3.425 -1.010 70 HB1 ALA 7 HB1 ALA 7 -1.403 -4.052 0.752 71 HB2 ALA 7 HB2 ALA 7 -1.921 -2.363 0.968 72 HB3 ALA 7 HB3 ALA 7 -2.318 -3.233 -0.524 73 H ILE 8 H ILE 8 0.533 -2.181 -2.852 74 HA ILE 8 HA ILE 8 -0.324 0.672 -2.851 75 HB ILE 8 HB ILE 8 1.215 -0.839 -4.999 76 HG12 ILE 8 HG12 ILE 8 2.284 0.786 -2.668 77 HG13 ILE 8 HG13 ILE 8 2.584 -0.902 -3.040 78 HG21 ILE 8 HG21 ILE 8 0.899 2.162 -4.515 79 HG22 ILE 8 HG22 ILE 8 1.705 1.375 -5.892 80 HG23 ILE 8 HG23 ILE 8 -0.025 1.236 -5.720 81 HD11 ILE 8 HD11 ILE 8 3.767 -0.243 -5.137 82 HD12 ILE 8 HD12 ILE 8 3.597 1.470 -4.665 83 HD13 ILE 8 HD13 ILE 8 4.533 0.377 -3.664 84 H SER 9 H SER 9 -2.338 1.150 -3.673 85 HA SER 9 HA SER 9 -3.988 -0.754 -5.019 86 HB2 SER 9 HB2 SER 9 -5.476 1.284 -5.248 87 HB3 SER 9 HB3 SER 9 -4.973 0.939 -3.597 88 HG SER 9 HG SER 9 -3.615 2.682 -5.344 89 H MET 10 H MET 10 -3.239 -1.447 -7.069 90 HA MET 10 HA MET 10 -2.313 0.631 -9.006 91 HB2 MET 10 HB2 MET 10 -1.921 -2.375 -9.007 92 HB3 MET 10 HB3 MET 10 -1.328 -1.246 -10.227 93 HG2 MET 10 HG2 MET 10 -0.221 -0.082 -8.073 94 HG3 MET 10 HG3 MET 10 -0.403 -1.712 -7.421 95 HE1 MET 10 HE1 MET 10 1.096 0.295 -10.496 96 HE2 MET 10 HE2 MET 10 2.317 -0.847 -11.102 97 HE3 MET 10 HE3 MET 10 0.596 -1.190 -11.340 98 H ASP 11 H ASP 11 -3.034 0.514 -11.147 99 HA ASP 11 HA ASP 11 -5.765 -0.661 -11.547 100 HB2 ASP 11 HB2 ASP 11 -4.781 1.878 -12.128 101 HB3 ASP 11 HB3 ASP 11 -4.645 1.083 -13.678 102 H VAL 12 H VAL 12 -2.663 -0.156 -13.362 103 HA VAL 12 HA VAL 12 -2.696 -2.938 -14.252 104 HB VAL 12 HB VAL 12 -2.601 -0.584 -16.198 105 HG11 VAL 12 HG11 VAL 12 -1.030 -2.361 -16.844 106 HG12 VAL 12 HG12 VAL 12 -2.293 -3.581 -16.633 107 HG13 VAL 12 HG13 VAL 12 -2.416 -2.364 -17.925 108 HG21 VAL 12 HG21 VAL 12 -4.684 -2.757 -15.759 109 HG22 VAL 12 HG22 VAL 12 -4.911 -1.007 -15.604 110 HG23 VAL 12 HG23 VAL 12 -4.634 -1.709 -17.190 111 H ASP 13 H ASP 13 -0.979 0.136 -15.075 112 HA ASP 13 HA ASP 13 1.476 -1.173 -14.084 113 HB2 ASP 13 HB2 ASP 13 0.691 -0.527 -16.705 114 HB3 ASP 13 HB3 ASP 13 1.802 0.759 -16.306 115 H LYS 14 H LYS 14 -0.364 0.972 -12.953 116 HA LYS 14 HA LYS 14 1.587 2.487 -11.547 117 HB2 LYS 14 HB2 LYS 14 0.449 4.765 -12.219 118 HB3 LYS 14 HB3 LYS 14 1.709 4.074 -13.178 119 HG2 LYS 14 HG2 LYS 14 -0.902 3.155 -14.159 120 HG3 LYS 14 HG3 LYS 14 -0.925 4.877 -13.903 121 HD2 LYS 14 HD2 LYS 14 1.414 4.844 -15.167 122 HD3 LYS 14 HD3 LYS 14 0.894 3.246 -15.732 123 HE2 LYS 14 HE2 LYS 14 -1.065 4.216 -16.790 124 HE3 LYS 14 HE3 LYS 14 -0.803 5.749 -15.930 125 HZ1 LYS 14 HZ1 LYS 14 -0.088 5.667 -18.326 126 HZ2 LYS 14 HZ2 LYS 14 1.194 4.723 -17.861 127 HZ3 LYS 14 HZ3 LYS 14 1.043 6.214 -17.242 128 H ILE 15 H ILE 15 0.277 4.173 -10.172 129 HA ILE 15 HA ILE 15 -1.552 2.738 -8.535 130 HB ILE 15 HB ILE 15 -0.760 5.662 -8.799 131 HG12 ILE 15 HG12 ILE 15 -0.047 4.024 -6.385 132 HG13 ILE 15 HG13 ILE 15 0.739 3.536 -7.865 133 HG21 ILE 15 HG21 ILE 15 -2.451 4.414 -6.591 134 HG22 ILE 15 HG22 ILE 15 -1.681 6.014 -6.508 135 HG23 ILE 15 HG23 ILE 15 -2.934 5.708 -7.716 136 HD11 ILE 15 HD11 ILE 15 2.073 5.193 -6.587 137 HD12 ILE 15 HD12 ILE 15 1.672 5.740 -8.227 138 HD13 ILE 15 HD13 ILE 15 0.778 6.387 -6.837 139 H SER 16 H SER 16 -3.758 2.808 -8.422 140 HA SER 16 HA SER 16 -5.252 3.415 -10.842 141 HB2 SER 16 HB2 SER 16 -5.707 1.445 -9.417 142 HB3 SER 16 HB3 SER 16 -6.043 2.494 -8.047 143 HG SER 16 HG SER 16 -7.498 2.191 -10.465 144 H ASN 17 H ASN 17 -6.543 4.287 -7.719 145 HA ASN 17 HA ASN 17 -6.184 7.102 -7.772 146 HB2 ASN 17 HB2 ASN 17 -8.082 6.330 -9.673 147 HB3 ASN 17 HB3 ASN 17 -9.059 6.715 -8.262 148 HD21 ASN 17 HD21 ASN 17 -9.638 8.985 -8.215 149 HD22 ASN 17 HD22 ASN 17 -8.616 10.160 -9.028 150 H SER 18 H SER 18 -8.217 4.289 -6.807 151 HA SER 18 HA SER 18 -8.100 5.284 -4.019 152 HB2 SER 18 HB2 SER 18 -10.754 4.595 -4.182 153 HB3 SER 18 HB3 SER 18 -10.099 6.211 -4.143 154 HG SER 18 HG SER 18 -10.983 6.493 -5.924 155 H PHE 19 H PHE 19 -8.611 3.773 -2.463 156 HA PHE 19 HA PHE 19 -7.488 1.238 -2.919 157 HB2 PHE 19 HB2 PHE 19 -7.578 2.476 -0.788 158 HB3 PHE 19 HB3 PHE 19 -9.309 2.239 -0.714 159 HD1 PHE 19 HD2 PHE 19 -10.258 0.007 -0.062 160 HD2 PHE 19 HD1 PHE 19 -5.993 0.706 -0.245 161 HE1 PHE 19 HE2 PHE 19 -9.862 -2.050 1.207 162 HE2 PHE 19 HE1 PHE 19 -5.609 -1.398 1.003 163 HZ PHE 19 HZ PHE 19 -7.526 -2.784 1.735 164 H GLU 20 H GLU 20 -10.973 2.177 -2.694 165 HA GLU 20 HA GLU 20 -11.881 -0.583 -3.169 166 HB2 GLU 20 HB2 GLU 20 -13.226 2.083 -2.735 167 HB3 GLU 20 HB3 GLU 20 -14.168 0.722 -3.318 168 HG2 GLU 20 HG2 GLU 20 -12.489 0.469 -0.831 169 HG3 GLU 20 HG3 GLU 20 -14.088 1.191 -0.788 170 H ASP 21 H ASP 21 -10.669 1.749 -5.276 171 HA ASP 21 HA ASP 21 -12.543 0.975 -7.471 172 HB2 ASP 21 HB2 ASP 21 -11.889 3.420 -6.561 173 HB3 ASP 21 HB3 ASP 21 -10.580 3.228 -7.721 174 H CYS 22 H CYS 22 -9.368 0.468 -6.302 175 HA CYS 22 HA CYS 22 -8.022 0.256 -8.851 176 HB2 CYS 22 HB2 CYS 22 -6.110 -0.391 -7.582 177 HB3 CYS 22 HB3 CYS 22 -6.940 0.876 -6.680 178 HG CYS 22 HG CYS 22 -8.142 -0.753 -4.973 179 H LYS 23 H LYS 23 -6.696 -1.780 -9.255 180 HA LYS 23 HA LYS 23 -8.718 -3.923 -9.782 181 HB2 LYS 23 HB2 LYS 23 -6.252 -2.818 -11.160 182 HB3 LYS 23 HB3 LYS 23 -6.892 -4.373 -11.610 183 HG2 LYS 23 HG2 LYS 23 -7.578 -2.535 -13.112 184 HG3 LYS 23 HG3 LYS 23 -8.870 -3.537 -12.466 185 HD2 LYS 23 HD2 LYS 23 -9.651 -1.793 -11.008 186 HD3 LYS 23 HD3 LYS 23 -8.219 -0.802 -11.339 187 HE2 LYS 23 HE2 LYS 23 -10.215 -0.017 -12.575 188 HE3 LYS 23 HE3 LYS 23 -8.873 -0.464 -13.633 189 HZ1 LYS 23 HZ1 LYS 23 -9.963 -2.560 -14.074 190 HZ2 LYS 23 HZ2 LYS 23 -10.955 -1.304 -14.460 191 HZ3 LYS 23 HZ3 LYS 23 -11.248 -2.159 -13.108 192 H TYR 24 H TYR 24 -5.524 -3.243 -8.331 193 HA TYR 24 HA TYR 24 -5.741 -5.699 -6.920 194 HB2 TYR 24 HB2 TYR 24 -3.685 -6.764 -7.626 195 HB3 TYR 24 HB3 TYR 24 -4.734 -6.606 -9.007 196 HD1 TYR 24 HD1 TYR 24 -4.226 -5.091 -10.846 197 HD2 TYR 24 HD2 TYR 24 -1.539 -5.613 -7.519 198 HE1 TYR 24 HE1 TYR 24 -2.364 -4.151 -12.205 199 HE2 TYR 24 HE2 TYR 24 0.284 -4.656 -8.811 200 HH TYR 24 HH TYR 24 -0.068 -3.485 -12.194 201 H PHE 25 H PHE 25 -3.969 -5.948 -5.390 202 HA PHE 25 HA PHE 25 -2.708 -3.389 -4.609 203 HB2 PHE 25 HB2 PHE 25 -3.281 -5.899 -3.010 204 HB3 PHE 25 HB3 PHE 25 -2.439 -4.474 -2.411 205 HD1 PHE 25 HD2 PHE 25 -3.657 -2.208 -2.488 206 HD2 PHE 25 HD1 PHE 25 -5.668 -5.980 -3.092 207 HE1 PHE 25 HE2 PHE 25 -5.817 -1.126 -2.012 208 HE2 PHE 25 HE1 PHE 25 -7.853 -4.874 -2.589 209 HZ PHE 25 HZ PHE 25 -7.918 -2.484 -1.976 210 H LEU 26 H LEU 26 -0.632 -3.249 -5.280 211 HA LEU 26 HA LEU 26 0.959 -5.649 -5.801 212 HB2 LEU 26 HB2 LEU 26 1.091 -3.469 -7.084 213 HB3 LEU 26 HB3 LEU 26 1.924 -2.781 -5.702 214 HG LEU 26 HG LEU 26 3.506 -3.358 -7.350 215 HD11 LEU 26 HD11 LEU 26 5.022 -4.598 -6.139 216 HD12 LEU 26 HD12 LEU 26 3.796 -5.651 -5.407 217 HD13 LEU 26 HD13 LEU 26 3.973 -3.929 -4.899 218 HD21 LEU 26 HD21 LEU 26 2.448 -4.942 -8.758 219 HD22 LEU 26 HD22 LEU 26 2.295 -6.143 -7.465 220 HD23 LEU 26 HD23 LEU 26 3.883 -5.737 -8.125 221 H ILE 27 H ILE 27 1.916 -6.740 -4.149 222 HA ILE 27 HA ILE 27 2.076 -5.518 -1.483 223 HB ILE 27 HB ILE 27 2.523 -8.387 -2.384 224 HG12 ILE 27 HG12 ILE 27 0.254 -7.844 -3.038 225 HG13 ILE 27 HG13 ILE 27 0.208 -8.845 -1.606 226 HG21 ILE 27 HG21 ILE 27 3.426 -8.102 -0.201 227 HG22 ILE 27 HG22 ILE 27 1.891 -7.412 0.394 228 HG23 ILE 27 HG23 ILE 27 1.964 -9.077 -0.153 229 HD11 ILE 27 HD11 ILE 27 -1.453 -7.005 -1.521 230 HD12 ILE 27 HD12 ILE 27 -0.294 -6.883 -0.188 231 HD13 ILE 27 HD13 ILE 27 -0.170 -5.807 -1.600 232 H VAL 28 H VAL 28 3.817 -4.176 -1.540 233 HA VAL 28 HA VAL 28 6.353 -5.027 -2.667 234 HB VAL 28 HB VAL 28 6.183 -2.591 -0.814 235 HG11 VAL 28 HG11 VAL 28 7.875 -1.743 -2.360 236 HG12 VAL 28 HG12 VAL 28 8.384 -3.342 -1.793 237 HG13 VAL 28 HG13 VAL 28 7.702 -3.145 -3.426 238 HG21 VAL 28 HG21 VAL 28 5.373 -1.202 -2.298 239 HG22 VAL 28 HG22 VAL 28 5.418 -2.364 -3.715 240 HG23 VAL 28 HG23 VAL 28 4.225 -2.480 -2.386 241 H ARG 29 H ARG 29 7.337 -6.660 -1.581 242 HA ARG 29 HA ARG 29 7.740 -6.479 1.378 243 HB2 ARG 29 HB2 ARG 29 8.486 -8.480 -0.772 244 HB3 ARG 29 HB3 ARG 29 9.494 -8.329 0.655 245 HG2 ARG 29 HG2 ARG 29 8.140 -10.085 1.167 246 HG3 ARG 29 HG3 ARG 29 7.420 -8.761 2.076 247 HD2 ARG 29 HD2 ARG 29 5.557 -8.641 0.563 248 HD3 ARG 29 HD3 ARG 29 6.391 -9.629 -0.660 249 HE ARG 29 HE ARG 29 6.270 -11.120 1.725 250 HH11 ARG 29 HH11 ARG 29 3.958 -10.000 -0.754 251 HH12 ARG 29 HH12 ARG 29 2.976 -11.456 -0.616 252 HH21 ARG 29 HH21 ARG 29 4.914 -13.043 1.753 253 HH22 ARG 29 HH22 ARG 29 3.487 -13.095 0.749 254 H ILE 30 H ILE 30 9.665 -5.659 2.160 255 HA ILE 30 HA ILE 30 11.921 -5.158 0.364 256 HB ILE 30 HB ILE 30 10.764 -3.144 2.332 257 HG12 ILE 30 HG12 ILE 30 11.623 -1.862 -0.041 258 HG13 ILE 30 HG13 ILE 30 10.835 -3.317 -0.599 259 HG21 ILE 30 HG21 ILE 30 13.544 -3.112 1.193 260 HG22 ILE 30 HG22 ILE 30 12.746 -1.738 1.990 261 HG23 ILE 30 HG23 ILE 30 13.072 -3.205 2.906 262 HD11 ILE 30 HD11 ILE 30 9.269 -1.400 -0.394 263 HD12 ILE 30 HD12 ILE 30 8.793 -2.738 0.679 264 HD13 ILE 30 HD13 ILE 30 9.611 -1.302 1.338 265 H ASP 31 H ASP 31 13.869 -5.674 1.467 266 HA ASP 31 HA ASP 31 13.750 -6.522 4.270 267 HB2 ASP 31 HB2 ASP 31 12.856 -8.382 2.478 268 HB3 ASP 31 HB3 ASP 31 14.563 -8.757 2.447 269 H ASP 32 H ASP 32 15.293 -4.747 2.450 270 HA ASP 32 HA ASP 32 17.573 -4.508 3.727 271 HB2 ASP 32 HB2 ASP 32 18.076 -6.707 1.908 272 HB3 ASP 32 HB3 ASP 32 18.952 -5.371 1.255 273 H ASN 33 H ASN 33 15.935 -2.844 3.179 274 HA ASN 33 HA ASN 33 15.117 -0.990 2.309 275 HB2 ASN 33 HB2 ASN 33 17.909 -0.709 2.654 276 HB3 ASN 33 HB3 ASN 33 17.521 0.106 1.156 277 HD21 ASN 33 HD21 ASN 33 15.807 -0.110 4.346 278 HD22 ASN 33 HD22 ASN 33 15.605 1.657 4.404 279 H GLU 34 H GLU 34 15.970 -3.264 0.074 280 HA GLU 34 HA GLU 34 15.080 -1.745 -2.270 281 HB2 GLU 34 HB2 GLU 34 17.329 -2.509 -2.487 282 HB3 GLU 34 HB3 GLU 34 16.946 -4.074 -1.742 283 HG2 GLU 34 HG2 GLU 34 15.712 -4.829 -3.554 284 HG3 GLU 34 HG3 GLU 34 15.734 -3.261 -4.373 285 H VAL 35 H VAL 35 13.732 -2.841 -3.612 286 HA VAL 35 HA VAL 35 11.593 -4.450 -2.471 287 HB VAL 35 HB VAL 35 10.823 -2.781 -3.843 288 HG11 VAL 35 HG11 VAL 35 12.789 -2.003 -5.011 289 HG12 VAL 35 HG12 VAL 35 12.889 -3.515 -5.945 290 HG13 VAL 35 HG13 VAL 35 11.543 -2.377 -6.197 291 HG21 VAL 35 HG21 VAL 35 9.436 -3.890 -5.254 292 HG22 VAL 35 HG22 VAL 35 10.753 -4.704 -6.114 293 HG23 VAL 35 HG23 VAL 35 10.232 -5.356 -4.590 294 H LYS 36 H LYS 36 12.657 -6.262 -1.858 295 HA LYS 36 HA LYS 36 14.180 -8.066 -3.356 296 HB2 LYS 36 HB2 LYS 36 12.006 -8.753 -1.319 297 HB3 LYS 36 HB3 LYS 36 13.197 -9.896 -1.915 298 HG2 LYS 36 HG2 LYS 36 13.852 -7.369 -0.346 299 HG3 LYS 36 HG3 LYS 36 13.643 -8.979 0.348 300 HD2 LYS 36 HD2 LYS 36 15.611 -9.842 -0.805 301 HD3 LYS 36 HD3 LYS 36 15.718 -8.351 -1.748 302 HE2 LYS 36 HE2 LYS 36 17.145 -7.565 -0.254 303 HE3 LYS 36 HE3 LYS 36 15.765 -7.328 0.792 304 HZ1 LYS 36 HZ1 LYS 36 17.220 -8.461 2.100 305 HZ2 LYS 36 HZ2 LYS 36 17.858 -9.366 0.924 306 HZ3 LYS 36 HZ3 LYS 36 16.389 -9.758 1.601 307 H SER 37 H SER 37 10.600 -8.547 -2.975 308 HA SER 37 HA SER 37 10.392 -9.462 -5.761 309 HB2 SER 37 HB2 SER 37 9.602 -11.315 -3.488 310 HB3 SER 37 HB3 SER 37 9.699 -11.670 -5.215 311 HG SER 37 HG SER 37 12.036 -11.269 -4.957 312 H THR 38 H THR 38 8.601 -8.375 -6.441 313 HA THR 38 HA THR 38 6.569 -7.309 -4.690 314 HB THR 38 HB THR 38 5.606 -6.802 -7.032 315 HG1 THR 38 HG1 THR 38 6.604 -8.006 -8.517 316 HG21 THR 38 HG21 THR 38 7.090 -5.247 -5.623 317 HG22 THR 38 HG22 THR 38 7.108 -4.968 -7.365 318 HG23 THR 38 HG23 THR 38 8.463 -5.826 -6.587 319 H LYS 39 H LYS 39 4.245 -7.832 -5.071 320 HA LYS 39 HA LYS 39 3.544 -10.452 -6.197 321 HB2 LYS 39 HB2 LYS 39 3.637 -9.760 -3.320 322 HB3 LYS 39 HB3 LYS 39 1.981 -10.013 -3.808 323 HG2 LYS 39 HG2 LYS 39 2.386 -11.989 -3.066 324 HG3 LYS 39 HG3 LYS 39 2.874 -12.317 -4.730 325 HD2 LYS 39 HD2 LYS 39 5.016 -11.236 -2.943 326 HD3 LYS 39 HD3 LYS 39 4.388 -12.795 -2.423 327 HE2 LYS 39 HE2 LYS 39 5.268 -12.298 -5.293 328 HE3 LYS 39 HE3 LYS 39 6.394 -12.841 -4.045 329 HZ1 LYS 39 HZ1 LYS 39 5.135 -14.829 -3.769 330 HZ2 LYS 39 HZ2 LYS 39 5.420 -14.616 -5.375 331 HZ3 LYS 39 HZ3 LYS 39 3.933 -14.314 -4.812 332 H VAL 40 H VAL 40 1.159 -10.608 -6.399 333 HA VAL 40 HA VAL 40 -0.185 -7.937 -6.471 334 HB VAL 40 HB VAL 40 -0.125 -10.252 -8.443 335 HG11 VAL 40 HG11 VAL 40 -2.482 -9.625 -8.282 336 HG12 VAL 40 HG12 VAL 40 -2.039 -7.918 -8.533 337 HG13 VAL 40 HG13 VAL 40 -1.779 -9.107 -9.814 338 HG21 VAL 40 HG21 VAL 40 0.528 -7.266 -8.609 339 HG22 VAL 40 HG22 VAL 40 1.677 -8.606 -8.726 340 HG23 VAL 40 HG23 VAL 40 0.482 -8.354 -10.000 341 H ILE 41 H ILE 41 -2.281 -7.979 -5.668 342 HA ILE 41 HA ILE 41 -3.596 -10.566 -5.065 343 HB ILE 41 HB ILE 41 -3.466 -8.118 -3.238 344 HG12 ILE 41 HG12 ILE 41 -2.526 -10.980 -2.820 345 HG13 ILE 41 HG13 ILE 41 -1.519 -9.544 -2.941 346 HG21 ILE 41 HG21 ILE 41 -5.070 -9.258 -1.783 347 HG22 ILE 41 HG22 ILE 41 -5.764 -9.129 -3.387 348 HG23 ILE 41 HG23 ILE 41 -5.066 -10.678 -2.852 349 HD11 ILE 41 HD11 ILE 41 -2.805 -8.663 -0.863 350 HD12 ILE 41 HD12 ILE 41 -3.359 -10.335 -0.664 351 HD13 ILE 41 HD13 ILE 41 -1.627 -9.981 -0.610 352 H PHE 42 H PHE 42 -5.140 -10.462 -6.675 353 HA PHE 42 HA PHE 42 -5.976 -8.008 -7.920 354 HB2 PHE 42 HB2 PHE 42 -7.411 -10.687 -7.749 355 HB3 PHE 42 HB3 PHE 42 -7.835 -9.372 -8.831 356 HD1 PHE 42 HD1 PHE 42 -5.494 -8.422 -10.093 357 HD2 PHE 42 HD2 PHE 42 -6.409 -12.482 -8.957 358 HE1 PHE 42 HE1 PHE 42 -3.847 -9.245 -11.746 359 HE2 PHE 42 HE2 PHE 42 -4.797 -13.298 -10.656 360 HZ PHE 42 HZ PHE 42 -3.479 -11.696 -12.019 361 H ASN 43 H ASN 43 -7.825 -6.829 -7.641 362 HA ASN 43 HA ASN 43 -9.009 -6.667 -4.980 363 HB2 ASN 43 HB2 ASN 43 -8.795 -4.653 -6.373 364 HB3 ASN 43 HB3 ASN 43 -9.828 -5.377 -7.612 365 HD21 ASN 43 HD21 ASN 43 -10.706 -3.031 -6.809 366 HD22 ASN 43 HD22 ASN 43 -12.101 -3.175 -5.760 367 H ASP 44 H ASP 44 -9.942 -8.633 -4.468 368 HA ASP 44 HA ASP 44 -12.476 -9.220 -5.745 369 HB2 ASP 44 HB2 ASP 44 -10.595 -10.685 -6.763 370 HB3 ASP 44 HB3 ASP 44 -10.415 -11.399 -5.156 371 H GLU 45 H GLU 45 -13.489 -10.970 -4.079 372 HA GLU 45 HA GLU 45 -13.659 -9.784 -1.499 373 HB2 GLU 45 HB2 GLU 45 -15.349 -11.265 -2.500 374 HB3 GLU 45 HB3 GLU 45 -14.283 -12.657 -2.392 375 HG2 GLU 45 HG2 GLU 45 -14.920 -11.130 0.151 376 HG3 GLU 45 HG3 GLU 45 -16.198 -12.085 -0.584 377 H SER 46 H SER 46 -11.844 -12.626 -2.631 378 HA SER 46 HA SER 46 -10.826 -13.326 -0.050 379 HB2 SER 46 HB2 SER 46 -11.119 -14.849 -2.046 380 HB3 SER 46 HB3 SER 46 -9.718 -14.058 -2.794 381 HG SER 46 HG SER 46 -8.615 -14.712 -0.733 382 H GLY 47 H GLY 47 -9.802 -11.045 -2.492 383 HA2 GLY 47 HA2 GLY 47 -7.031 -10.930 -1.937 384 HA3 GLY 47 HA3 GLY 47 -8.006 -9.630 -2.658 385 H LYS 48 H LYS 48 -9.665 -8.718 -0.919 386 HA LYS 48 HA LYS 48 -8.030 -7.342 1.008 387 HB2 LYS 48 HB2 LYS 48 -10.987 -7.530 0.415 388 HB3 LYS 48 HB3 LYS 48 -10.412 -6.557 1.783 389 HG2 LYS 48 HG2 LYS 48 -9.362 -4.990 0.369 390 HG3 LYS 48 HG3 LYS 48 -9.283 -6.117 -1.000 391 HD2 LYS 48 HD2 LYS 48 -11.003 -4.681 -1.613 392 HD3 LYS 48 HD3 LYS 48 -11.832 -6.122 -1.030 393 HE2 LYS 48 HE2 LYS 48 -12.099 -4.986 1.223 394 HE3 LYS 48 HE3 LYS 48 -11.424 -3.512 0.483 395 HZ1 LYS 48 HZ1 LYS 48 -13.599 -3.130 0.087 396 HZ2 LYS 48 HZ2 LYS 48 -14.022 -4.731 0.125 397 HZ3 LYS 48 HZ3 LYS 48 -13.332 -4.042 -1.225 398 H LYS 49 H LYS 49 -9.961 -10.358 1.323 399 HA LYS 49 HA LYS 49 -9.865 -10.305 4.193 400 HB2 LYS 49 HB2 LYS 49 -10.199 -12.545 2.154 401 HB3 LYS 49 HB3 LYS 49 -10.100 -12.826 3.878 402 HG2 LYS 49 HG2 LYS 49 -12.050 -11.053 4.068 403 HG3 LYS 49 HG3 LYS 49 -12.243 -11.381 2.338 404 HD2 LYS 49 HD2 LYS 49 -12.427 -13.809 2.874 405 HD3 LYS 49 HD3 LYS 49 -12.451 -13.416 4.591 406 HE2 LYS 49 HE2 LYS 49 -14.530 -12.246 4.382 407 HE3 LYS 49 HE3 LYS 49 -14.402 -12.185 2.613 408 HZ1 LYS 49 HZ1 LYS 49 -15.924 -13.942 3.700 409 HZ2 LYS 49 HZ2 LYS 49 -14.522 -14.825 3.852 410 HZ3 LYS 49 HZ3 LYS 49 -15.045 -14.291 2.379 411 H SER 50 H SER 50 -7.714 -11.732 1.673 412 HA SER 50 HA SER 50 -5.786 -12.796 3.393 413 HB2 SER 50 HB2 SER 50 -6.069 -12.583 0.632 414 HB3 SER 50 HB3 SER 50 -4.728 -11.486 0.941 415 HG SER 50 HG SER 50 -4.932 -14.251 1.291 416 H ILE 51 H ILE 51 -6.029 -9.441 2.093 417 HA ILE 51 HA ILE 51 -3.643 -8.419 2.988 418 HB ILE 51 HB ILE 51 -6.356 -7.085 2.728 419 HG12 ILE 51 HG12 ILE 51 -3.834 -7.194 1.011 420 HG13 ILE 51 HG13 ILE 51 -5.302 -8.069 0.693 421 HG21 ILE 51 HG21 ILE 51 -3.693 -5.644 2.913 422 HG22 ILE 51 HG22 ILE 51 -5.287 -4.906 2.718 423 HG23 ILE 51 HG23 ILE 51 -4.865 -5.680 4.237 424 HD11 ILE 51 HD11 ILE 51 -5.381 -6.313 -0.770 425 HD12 ILE 51 HD12 ILE 51 -6.490 -5.790 0.514 426 HD13 ILE 51 HD13 ILE 51 -4.845 -5.105 0.413 427 H VAL 52 H VAL 52 -6.460 -9.014 5.085 428 HA VAL 52 HA VAL 52 -5.333 -7.440 7.264 429 HB VAL 52 HB VAL 52 -7.486 -9.589 7.220 430 HG11 VAL 52 HG11 VAL 52 -8.071 -8.335 9.485 431 HG12 VAL 52 HG12 VAL 52 -6.858 -9.627 9.480 432 HG13 VAL 52 HG13 VAL 52 -6.368 -7.919 9.489 433 HG21 VAL 52 HG21 VAL 52 -7.588 -6.550 7.370 434 HG22 VAL 52 HG22 VAL 52 -8.033 -7.538 5.963 435 HG23 VAL 52 HG23 VAL 52 -8.995 -7.635 7.447 436 H LYS 53 H LYS 53 -5.057 -10.859 6.249 437 HA LYS 53 HA LYS 53 -3.503 -11.487 8.697 438 HB2 LYS 53 HB2 LYS 53 -4.783 -13.192 6.529 439 HB3 LYS 53 HB3 LYS 53 -3.592 -13.829 7.668 440 HG2 LYS 53 HG2 LYS 53 -5.610 -14.339 8.673 441 HG3 LYS 53 HG3 LYS 53 -5.037 -12.930 9.566 442 HD2 LYS 53 HD2 LYS 53 -6.636 -11.510 8.286 443 HD3 LYS 53 HD3 LYS 53 -7.123 -12.932 7.349 444 HE2 LYS 53 HE2 LYS 53 -7.490 -13.923 9.828 445 HE3 LYS 53 HE3 LYS 53 -7.619 -12.223 10.260 446 HZ1 LYS 53 HZ1 LYS 53 -9.741 -13.179 9.775 447 HZ2 LYS 53 HZ2 LYS 53 -9.270 -13.639 8.243 448 HZ3 LYS 53 HZ3 LYS 53 -9.442 -12.028 8.693 449 H GLU 54 H GLU 54 -2.955 -10.511 5.465 450 HA GLU 54 HA GLU 54 -0.359 -11.509 4.977 451 HB2 GLU 54 HB2 GLU 54 -2.002 -9.083 4.271 452 HB3 GLU 54 HB3 GLU 54 -0.293 -8.991 3.959 453 HG2 GLU 54 HG2 GLU 54 -1.954 -11.309 2.909 454 HG3 GLU 54 HG3 GLU 54 -1.802 -9.768 2.043 455 H ASN 55 H ASN 55 -1.498 -9.462 7.511 456 HA ASN 55 HA ASN 55 -0.594 -8.062 9.035 457 HB2 ASN 55 HB2 ASN 55 1.976 -9.581 8.518 458 HB3 ASN 55 HB3 ASN 55 1.700 -8.480 9.848 459 HD21 ASN 55 HD21 ASN 55 2.141 -11.551 9.463 460 HD22 ASN 55 HD22 ASN 55 1.165 -12.133 10.791 461 H VAL 56 H VAL 56 -0.737 -7.074 6.307 462 HA VAL 56 HA VAL 56 1.686 -5.909 5.464 463 HB VAL 56 HB VAL 56 -0.822 -4.294 5.176 464 HG11 VAL 56 HG11 VAL 56 1.245 -3.527 4.175 465 HG12 VAL 56 HG12 VAL 56 1.373 -5.024 3.218 466 HG13 VAL 56 HG13 VAL 56 0.046 -3.887 2.934 467 HG21 VAL 56 HG21 VAL 56 -1.483 -5.480 3.133 468 HG22 VAL 56 HG22 VAL 56 -0.327 -6.772 3.487 469 HG23 VAL 56 HG23 VAL 56 -1.723 -6.488 4.573 470 H ASN 57 H ASN 57 2.770 -4.160 6.035 471 HA ASN 57 HA ASN 57 2.427 -2.802 8.616 472 HB2 ASN 57 HB2 ASN 57 4.576 -3.591 7.594 473 HB3 ASN 57 HB3 ASN 57 4.437 -2.264 6.417 474 HD21 ASN 57 HD21 ASN 57 4.565 -0.193 7.135 475 HD22 ASN 57 HD22 ASN 57 5.454 0.196 8.591 476 H ALA 58 H ALA 58 2.146 -2.085 5.123 477 HA ALA 58 HA ALA 58 0.890 0.485 5.865 478 HB1 ALA 58 HB1 ALA 58 2.300 1.481 4.077 479 HB2 ALA 58 HB2 ALA 58 3.208 0.889 5.447 480 HB3 ALA 58 HB3 ALA 58 3.174 -0.075 3.891 481 H ILE 59 H ILE 59 -0.255 1.610 4.211 482 HA ILE 59 HA ILE 59 -0.871 0.058 1.726 483 HB ILE 59 HB ILE 59 -2.808 1.960 3.122 484 HG12 ILE 59 HG12 ILE 59 -2.701 -1.050 3.241 485 HG13 ILE 59 HG13 ILE 59 -2.499 0.083 4.583 486 HG21 ILE 59 HG21 ILE 59 -3.150 -0.126 0.914 487 HG22 ILE 59 HG22 ILE 59 -4.441 0.901 1.551 488 HG23 ILE 59 HG23 ILE 59 -3.113 1.642 0.675 489 HD11 ILE 59 HD11 ILE 59 -4.610 -0.892 4.820 490 HD12 ILE 59 HD12 ILE 59 -4.869 0.794 4.333 491 HD13 ILE 59 HD13 ILE 59 -5.085 -0.529 3.156 492 H ILE 60 H ILE 60 -0.431 1.353 -0.156 493 HA ILE 60 HA ILE 60 -0.083 4.293 0.210 494 HB ILE 60 HB ILE 60 1.057 2.533 -2.009 495 HG12 ILE 60 HG12 ILE 60 2.369 4.046 0.253 496 HG13 ILE 60 HG13 ILE 60 2.303 2.287 0.067 497 HG21 ILE 60 HG21 ILE 60 1.282 5.546 -1.571 498 HG22 ILE 60 HG22 ILE 60 2.088 4.609 -2.850 499 HG23 ILE 60 HG23 ILE 60 0.343 4.731 -2.848 500 HD11 ILE 60 HD11 ILE 60 3.933 4.185 -1.659 501 HD12 ILE 60 HD12 ILE 60 4.499 2.990 -0.492 502 HD13 ILE 60 HD13 ILE 60 3.705 2.450 -1.982 503 H CYS 61 H CYS 61 -1.706 5.532 -0.779 504 HA CYS 61 HA CYS 61 -3.008 4.432 -3.141 505 HB2 CYS 61 HB2 CYS 61 -5.287 4.732 -2.363 506 HB3 CYS 61 HB3 CYS 61 -4.475 3.626 -1.264 507 HG CYS 61 HG CYS 61 -6.207 5.558 -0.252 508 H LYS 62 H LYS 62 -4.640 6.163 -3.977 509 HA LYS 62 HA LYS 62 -3.629 8.946 -3.590 510 HB2 LYS 62 HB2 LYS 62 -4.971 7.436 -5.815 511 HB3 LYS 62 HB3 LYS 62 -5.476 9.110 -5.586 512 HG2 LYS 62 HG2 LYS 62 -3.164 9.863 -5.947 513 HG3 LYS 62 HG3 LYS 62 -2.655 8.169 -6.202 514 HD2 LYS 62 HD2 LYS 62 -4.343 7.970 -8.034 515 HD3 LYS 62 HD3 LYS 62 -4.812 9.648 -7.791 516 HE2 LYS 62 HE2 LYS 62 -2.187 8.564 -8.870 517 HE3 LYS 62 HE3 LYS 62 -3.472 9.372 -9.774 518 HZ1 LYS 62 HZ1 LYS 62 -2.977 11.374 -8.382 519 HZ2 LYS 62 HZ2 LYS 62 -1.732 10.878 -9.371 520 HZ3 LYS 62 HZ3 LYS 62 -1.703 10.571 -7.756 521 H ASN 63 H ASN 63 -6.409 6.781 -2.921 522 HA ASN 63 HA ASN 63 -7.598 8.798 -1.232 523 HB2 ASN 63 HB2 ASN 63 -8.910 7.951 -3.820 524 HB3 ASN 63 HB3 ASN 63 -9.926 8.079 -2.421 525 HD21 ASN 63 HD21 ASN 63 -8.050 9.873 -4.736 526 HD22 ASN 63 HD22 ASN 63 -8.313 11.473 -4.064 527 H ILE 64 H ILE 64 -9.360 7.784 0.016 528 HA ILE 64 HA ILE 64 -9.572 4.883 0.050 529 HB ILE 64 HB ILE 64 -7.536 5.064 1.268 530 HG12 ILE 64 HG12 ILE 64 -9.749 4.742 3.319 531 HG13 ILE 64 HG13 ILE 64 -9.331 3.543 2.092 532 HG21 ILE 64 HG21 ILE 64 -8.772 7.088 3.179 533 HG22 ILE 64 HG22 ILE 64 -7.118 6.439 3.238 534 HG23 ILE 64 HG23 ILE 64 -7.601 7.484 1.914 535 HD11 ILE 64 HD11 ILE 64 -7.432 4.469 4.272 536 HD12 ILE 64 HD12 ILE 64 -8.369 2.969 4.258 537 HD13 ILE 64 HD13 ILE 64 -7.128 3.231 3.045 538 H SER 65 H SER 65 -11.649 4.389 0.566 539 HA SER 65 HA SER 65 -13.593 6.312 1.156 540 HB2 SER 65 HB2 SER 65 -13.671 3.877 0.169 541 HB3 SER 65 HB3 SER 65 -13.900 3.385 1.871 542 HG SER 65 HG SER 65 -15.787 3.814 0.492 543 H GLU 66 H GLU 66 -14.690 6.795 3.007 544 HA GLU 66 HA GLU 66 -13.348 7.269 5.328 545 HB2 GLU 66 HB2 GLU 66 -15.860 7.866 4.259 546 HB3 GLU 66 HB3 GLU 66 -16.289 6.925 5.660 547 HG2 GLU 66 HG2 GLU 66 -16.309 9.080 6.484 548 HG3 GLU 66 HG3 GLU 66 -14.738 8.498 7.007 549 H GLU 67 H GLU 67 -15.620 4.528 4.769 550 HA GLU 67 HA GLU 67 -15.521 3.540 7.451 551 HB2 GLU 67 HB2 GLU 67 -16.849 2.829 5.028 552 HB3 GLU 67 HB3 GLU 67 -15.926 1.405 5.501 553 HG2 GLU 67 HG2 GLU 67 -16.902 1.698 7.851 554 HG3 GLU 67 HG3 GLU 67 -18.047 2.830 7.124 555 H ASN 68 H ASN 68 -13.826 2.541 4.490 556 HA ASN 68 HA ASN 68 -12.200 0.520 5.661 557 HB2 ASN 68 HB2 ASN 68 -11.989 2.184 3.174 558 HB3 ASN 68 HB3 ASN 68 -10.658 1.111 3.626 559 HD21 ASN 68 HD21 ASN 68 -12.547 1.013 1.294 560 HD22 ASN 68 HD22 ASN 68 -13.214 -0.591 1.314 561 H TYR 69 H TYR 69 -11.622 4.063 5.256 562 HA TYR 69 HA TYR 69 -8.927 4.120 6.030 563 HB2 TYR 69 HB2 TYR 69 -10.077 6.123 5.221 564 HB3 TYR 69 HB3 TYR 69 -11.114 6.144 6.650 565 HD1 TYR 69 HD2 TYR 69 -7.547 6.272 5.542 566 HD2 TYR 69 HD1 TYR 69 -10.336 7.139 8.714 567 HE1 TYR 69 HE2 TYR 69 -5.696 7.158 6.909 568 HE2 TYR 69 HE1 TYR 69 -8.509 8.117 10.059 569 HH TYR 69 HH TYR 69 -6.175 8.700 10.082 570 H LYS 70 H LYS 70 -11.774 4.398 8.148 571 HA LYS 70 HA LYS 70 -10.302 4.383 10.583 572 HB2 LYS 70 HB2 LYS 70 -13.155 3.481 10.004 573 HB3 LYS 70 HB3 LYS 70 -12.525 3.872 11.605 574 HG2 LYS 70 HG2 LYS 70 -12.400 6.175 11.168 575 HG3 LYS 70 HG3 LYS 70 -12.331 5.975 9.420 576 HD2 LYS 70 HD2 LYS 70 -14.728 5.054 9.568 577 HD3 LYS 70 HD3 LYS 70 -14.750 5.775 11.195 578 HE2 LYS 70 HE2 LYS 70 -14.232 7.988 10.214 579 HE3 LYS 70 HE3 LYS 70 -14.089 7.252 8.609 580 HZ1 LYS 70 HZ1 LYS 70 -16.563 7.411 10.235 581 HZ2 LYS 70 HZ2 LYS 70 -16.458 6.627 8.802 582 HZ3 LYS 70 HZ3 LYS 70 -16.276 8.252 8.880 583 H LYS 71 H LYS 71 -11.778 1.717 8.737 584 HA LYS 71 HA LYS 71 -11.320 -0.419 10.530 585 HB2 LYS 71 HB2 LYS 71 -12.792 -0.427 8.541 586 HB3 LYS 71 HB3 LYS 71 -11.370 -0.288 7.501 587 HG2 LYS 71 HG2 LYS 71 -10.705 -2.458 7.791 588 HG3 LYS 71 HG3 LYS 71 -11.612 -2.692 9.301 589 HD2 LYS 71 HD2 LYS 71 -13.686 -2.835 8.145 590 HD3 LYS 71 HD3 LYS 71 -13.007 -2.218 6.635 591 HE2 LYS 71 HE2 LYS 71 -11.880 -4.761 7.837 592 HE3 LYS 71 HE3 LYS 71 -13.439 -4.828 7.014 593 HZ1 LYS 71 HZ1 LYS 71 -12.476 -4.003 5.046 594 HZ2 LYS 71 HZ2 LYS 71 -11.624 -5.308 5.502 595 HZ3 LYS 71 HZ3 LYS 71 -10.979 -3.811 5.748 596 H PHE 72 H PHE 72 -9.153 0.918 7.998 597 HA PHE 72 HA PHE 72 -7.144 -1.174 8.613 598 HB2 PHE 72 HB2 PHE 72 -7.404 0.880 6.417 599 HB3 PHE 72 HB3 PHE 72 -5.920 -0.008 6.701 600 HD1 PHE 72 HD1 PHE 72 -5.708 -2.383 6.179 601 HD2 PHE 72 HD2 PHE 72 -9.433 -0.364 5.479 602 HE1 PHE 72 HE1 PHE 72 -6.511 -4.304 4.872 603 HE2 PHE 72 HE2 PHE 72 -10.209 -2.239 4.121 604 HZ PHE 72 HZ PHE 72 -8.745 -4.251 3.788 605 H SER 73 H SER 73 -7.539 2.326 9.080 606 HA SER 73 HA SER 73 -4.850 2.861 9.842 607 HB2 SER 73 HB2 SER 73 -6.598 4.445 8.931 608 HB3 SER 73 HB3 SER 73 -7.293 4.525 10.556 609 HG SER 73 HG SER 73 -5.635 6.146 9.808 610 H LYS 74 H LYS 74 -6.350 0.742 11.438 611 HA LYS 74 HA LYS 74 -5.804 1.681 14.214 612 HB2 LYS 74 HB2 LYS 74 -7.214 -0.035 15.020 613 HB3 LYS 74 HB3 LYS 74 -8.079 0.790 13.724 614 HG2 LYS 74 HG2 LYS 74 -7.357 -1.084 12.164 615 HG3 LYS 74 HG3 LYS 74 -6.663 -1.902 13.575 616 HD2 LYS 74 HD2 LYS 74 -8.913 -1.942 14.648 617 HD3 LYS 74 HD3 LYS 74 -9.598 -1.145 13.208 618 HE2 LYS 74 HE2 LYS 74 -8.814 -3.058 11.807 619 HE3 LYS 74 HE3 LYS 74 -8.184 -3.855 13.264 620 HZ1 LYS 74 HZ1 LYS 74 -10.343 -4.697 12.661 621 HZ2 LYS 74 HZ2 LYS 74 -11.035 -3.198 12.798 622 HZ3 LYS 74 HZ3 LYS 74 -10.419 -3.980 14.110 623 H LYS 75 H LYS 75 -4.441 -0.281 11.706 624 HA LYS 75 HA LYS 75 -2.346 -1.192 13.566 625 HB2 LYS 75 HB2 LYS 75 -4.405 -2.983 12.432 626 HB3 LYS 75 HB3 LYS 75 -2.795 -3.492 11.968 627 HG2 LYS 75 HG2 LYS 75 -3.505 -2.851 14.850 628 HG3 LYS 75 HG3 LYS 75 -3.790 -4.439 14.140 629 HD2 LYS 75 HD2 LYS 75 -1.458 -4.846 13.793 630 HD3 LYS 75 HD3 LYS 75 -1.026 -3.157 14.153 631 HE2 LYS 75 HE2 LYS 75 -1.674 -3.358 16.452 632 HE3 LYS 75 HE3 LYS 75 -2.458 -4.917 16.181 633 HZ1 LYS 75 HZ1 LYS 75 -0.294 -5.010 17.286 634 HZ2 LYS 75 HZ2 LYS 75 0.479 -4.512 15.955 635 HZ3 LYS 75 HZ3 LYS 75 -0.344 -5.954 15.964 636 H ILE 76 H ILE 76 -3.103 0.268 10.609 637 HA ILE 76 HA ILE 76 -0.640 -0.720 9.319 638 HB ILE 76 HB ILE 76 -3.363 -0.520 7.949 639 HG12 ILE 76 HG12 ILE 76 -1.757 -2.988 8.724 640 HG13 ILE 76 HG13 ILE 76 -3.241 -2.509 9.520 641 HG21 ILE 76 HG21 ILE 76 -1.290 -0.041 6.566 642 HG22 ILE 76 HG22 ILE 76 -0.689 -1.653 7.011 643 HG23 ILE 76 HG23 ILE 76 -2.129 -1.476 6.022 644 HD11 ILE 76 HD11 ILE 76 -3.305 -3.058 6.560 645 HD12 ILE 76 HD12 ILE 76 -3.346 -4.368 7.741 646 HD13 ILE 76 HD13 ILE 76 -4.590 -3.105 7.788 647 H GLU 77 H GLU 77 0.440 0.859 8.340 648 HA GLU 77 HA GLU 77 -0.397 3.604 8.858 649 HB2 GLU 77 HB2 GLU 77 2.225 2.368 7.972 650 HB3 GLU 77 HB3 GLU 77 1.969 4.082 8.308 651 HG2 GLU 77 HG2 GLU 77 1.420 3.755 10.595 652 HG3 GLU 77 HG3 GLU 77 1.292 2.022 10.429 653 H ILE 78 H ILE 78 -1.551 4.731 7.354 654 HA ILE 78 HA ILE 78 -1.457 3.778 4.562 655 HB ILE 78 HB ILE 78 -3.423 5.529 6.074 656 HG12 ILE 78 HG12 ILE 78 -4.318 2.940 4.910 657 HG13 ILE 78 HG13 ILE 78 -3.178 2.726 6.215 658 HG21 ILE 78 HG21 ILE 78 -4.858 5.276 4.037 659 HG22 ILE 78 HG22 ILE 78 -3.355 6.148 3.710 660 HG23 ILE 78 HG23 ILE 78 -3.495 4.464 3.210 661 HD11 ILE 78 HD11 ILE 78 -5.484 2.733 7.044 662 HD12 ILE 78 HD12 ILE 78 -4.565 4.102 7.705 663 HD13 ILE 78 HD13 ILE 78 -5.738 4.363 6.389 664 H TYR 79 H TYR 79 -0.544 4.991 3.041 665 HA TYR 79 HA TYR 79 0.471 7.703 3.745 666 HB2 TYR 79 HB2 TYR 79 1.786 5.387 2.318 667 HB3 TYR 79 HB3 TYR 79 2.414 7.018 2.305 668 HD1 TYR 79 HD2 TYR 79 1.818 4.018 4.565 669 HD2 TYR 79 HD1 TYR 79 3.541 7.983 4.200 670 HE1 TYR 79 HE2 TYR 79 3.194 3.613 6.493 671 HE2 TYR 79 HE1 TYR 79 4.831 7.598 6.263 672 HH TYR 79 HH TYR 79 5.597 5.681 7.791 673 H HIS 80 H HIS 80 0.602 9.200 2.069 674 HA HIS 80 HA HIS 80 -1.389 8.747 -0.042 675 HB2 HIS 80 HB2 HIS 80 -1.262 10.743 1.694 676 HB3 HIS 80 HB3 HIS 80 -0.079 11.402 0.612 677 HD1 HIS 80 HD1 HIS 80 -1.590 13.369 -0.407 678 HD2 HIS 80 HD2 HIS 80 -3.320 9.520 -0.601 679 HE1 HIS 80 HE1 HIS 80 -3.653 13.554 -1.861 680 H ALA 81 H ALA 81 -0.778 8.332 -2.004 681 HA ALA 81 HA ALA 81 1.955 8.194 -2.786 682 HB1 ALA 81 HB1 ALA 81 1.045 7.688 -5.036 683 HB2 ALA 81 HB2 ALA 81 0.227 6.738 -3.779 684 HB3 ALA 81 HB3 ALA 81 -0.585 8.147 -4.485 685 H GLU 82 H GLU 82 3.272 9.832 -3.456 686 HA GLU 82 HA GLU 82 2.239 12.526 -3.645 687 HB2 GLU 82 HB2 GLU 82 4.549 13.148 -3.743 688 HB3 GLU 82 HB3 GLU 82 4.429 11.822 -2.609 689 HG2 GLU 82 HG2 GLU 82 5.751 10.483 -3.859 690 HG3 GLU 82 HG3 GLU 82 4.978 10.872 -5.367 691 H GLY 83 H GLY 83 2.420 10.154 -5.927 692 HA2 GLY 83 HA2 GLY 83 2.037 11.856 -8.254 693 HA3 GLY 83 HA3 GLY 83 3.662 11.170 -8.054 694 H ASP 84 H ASP 84 2.249 10.324 -10.257 695 HA ASP 84 HA ASP 84 0.722 7.861 -9.627 696 HB2 ASP 84 HB2 ASP 84 1.332 9.331 -12.223 697 HB3 ASP 84 HB3 ASP 84 0.456 7.797 -12.127 698 H ASP 85 H ASP 85 3.958 8.713 -9.888 699 HA ASP 85 HA ASP 85 5.003 6.431 -11.361 700 HB2 ASP 85 HB2 ASP 85 5.913 8.992 -10.401 701 HB3 ASP 85 HB3 ASP 85 6.891 7.799 -9.651 702 H VAL 86 H VAL 86 4.460 4.542 -10.331 703 HA VAL 86 HA VAL 86 4.369 4.062 -7.533 704 HB VAL 86 HB VAL 86 5.006 2.292 -9.921 705 HG11 VAL 86 HG11 VAL 86 6.187 1.190 -8.151 706 HG12 VAL 86 HG12 VAL 86 4.868 1.425 -6.991 707 HG13 VAL 86 HG13 VAL 86 4.673 0.317 -8.379 708 HG21 VAL 86 HG21 VAL 86 2.669 3.156 -9.596 709 HG22 VAL 86 HG22 VAL 86 2.796 1.388 -9.486 710 HG23 VAL 86 HG23 VAL 86 2.639 2.351 -8.007 711 H ASP 87 H ASP 87 7.173 4.241 -9.760 712 HA ASP 87 HA ASP 87 8.950 2.902 -7.980 713 HB2 ASP 87 HB2 ASP 87 9.407 4.653 -10.416 714 HB3 ASP 87 HB3 ASP 87 10.707 3.843 -9.531 715 H LYS 88 H LYS 88 8.429 6.415 -8.622 716 HA LYS 88 HA LYS 88 10.295 7.389 -6.700 717 HB2 LYS 88 HB2 LYS 88 9.206 8.733 -8.455 718 HB3 LYS 88 HB3 LYS 88 7.635 8.470 -7.713 719 HG2 LYS 88 HG2 LYS 88 8.525 10.729 -7.394 720 HG3 LYS 88 HG3 LYS 88 8.108 9.916 -5.889 721 HD2 LYS 88 HD2 LYS 88 10.311 9.827 -5.156 722 HD3 LYS 88 HD3 LYS 88 10.964 9.772 -6.787 723 HE2 LYS 88 HE2 LYS 88 11.577 11.874 -5.742 724 HE3 LYS 88 HE3 LYS 88 10.535 12.145 -7.143 725 HZ1 LYS 88 HZ1 LYS 88 9.863 13.565 -5.326 726 HZ2 LYS 88 HZ2 LYS 88 9.689 12.320 -4.301 727 HZ3 LYS 88 HZ3 LYS 88 8.673 12.482 -5.562 728 H ASN 89 H ASN 89 6.992 6.095 -6.330 729 HA ASN 89 HA ASN 89 6.743 7.090 -3.589 730 HB2 ASN 89 HB2 ASN 89 5.095 5.370 -5.439 731 HB3 ASN 89 HB3 ASN 89 4.662 5.503 -3.733 732 HD21 ASN 89 HD21 ASN 89 5.057 7.495 -6.712 733 HD22 ASN 89 HD22 ASN 89 4.432 8.966 -5.999 734 H ILE 90 H ILE 90 8.101 4.244 -5.073 735 HA ILE 90 HA ILE 90 7.884 2.564 -2.697 736 HB ILE 90 HB ILE 90 9.334 2.413 -5.343 737 HG12 ILE 90 HG12 ILE 90 7.261 0.544 -4.096 738 HG13 ILE 90 HG13 ILE 90 6.888 1.847 -5.192 739 HG21 ILE 90 HG21 ILE 90 10.894 1.429 -3.662 740 HG22 ILE 90 HG22 ILE 90 9.592 0.374 -3.070 741 HG23 ILE 90 HG23 ILE 90 10.263 0.190 -4.712 742 HD11 ILE 90 HD11 ILE 90 8.547 -0.623 -5.839 743 HD12 ILE 90 HD12 ILE 90 6.938 -0.204 -6.418 744 HD13 ILE 90 HD13 ILE 90 8.333 0.763 -6.939 745 H SER 91 H SER 91 10.478 4.624 -4.233 746 HA SER 91 HA SER 91 12.389 4.030 -2.211 747 HB2 SER 91 HB2 SER 91 13.362 6.281 -3.075 748 HB3 SER 91 HB3 SER 91 13.295 4.847 -4.120 749 HG SER 91 HG SER 91 12.612 6.769 -5.164 750 H LEU 92 H LEU 92 10.114 6.765 -2.563 751 HA LEU 92 HA LEU 92 10.853 8.190 -0.243 752 HB2 LEU 92 HB2 LEU 92 8.157 7.833 -1.608 753 HB3 LEU 92 HB3 LEU 92 8.420 8.990 -0.309 754 HG LEU 92 HG LEU 92 10.052 9.025 -2.877 755 HD11 LEU 92 HD11 LEU 92 8.553 10.754 -3.668 756 HD12 LEU 92 HD12 LEU 92 7.568 10.686 -2.206 757 HD13 LEU 92 HD13 LEU 92 7.610 9.312 -3.335 758 HD21 LEU 92 HD21 LEU 92 11.071 10.241 -0.975 759 HD22 LEU 92 HD22 LEU 92 9.567 11.188 -0.824 760 HD23 LEU 92 HD23 LEU 92 10.554 11.307 -2.281 761 H PHE 93 H PHE 93 8.448 5.576 -0.612 762 HA PHE 93 HA PHE 93 7.454 5.562 2.005 763 HB2 PHE 93 HB2 PHE 93 6.329 4.385 0.280 764 HB3 PHE 93 HB3 PHE 93 7.763 3.493 -0.170 765 HD1 PHE 93 HD1 PHE 93 5.832 4.014 3.002 766 HD2 PHE 93 HD2 PHE 93 7.891 1.274 0.401 767 HE1 PHE 93 HE1 PHE 93 5.092 2.085 4.423 768 HE2 PHE 93 HE2 PHE 93 7.013 -0.636 1.682 769 HZ PHE 93 HZ PHE 93 5.563 -0.251 3.660 770 H ILE 94 H ILE 94 10.253 3.804 0.631 771 HA ILE 94 HA ILE 94 10.740 2.162 2.925 772 HB ILE 94 HB ILE 94 12.476 3.066 0.598 773 HG12 ILE 94 HG12 ILE 94 11.375 0.286 1.177 774 HG13 ILE 94 HG13 ILE 94 10.372 1.473 0.368 775 HG21 ILE 94 HG21 ILE 94 14.019 2.555 2.359 776 HG22 ILE 94 HG22 ILE 94 13.106 1.089 2.834 777 HG23 ILE 94 HG23 ILE 94 13.975 1.154 1.293 778 HD11 ILE 94 HD11 ILE 94 12.988 0.355 -0.662 779 HD12 ILE 94 HD12 ILE 94 11.371 0.151 -1.335 780 HD13 ILE 94 HD13 ILE 94 12.157 1.740 -1.398 781 H GLU 95 H GLU 95 12.017 5.433 1.982 782 HA GLU 95 HA GLU 95 13.507 5.646 4.477 783 HB2 GLU 95 HB2 GLU 95 12.896 7.428 2.118 784 HB3 GLU 95 HB3 GLU 95 13.603 8.126 3.575 785 HG2 GLU 95 HG2 GLU 95 14.846 5.648 2.313 786 HG3 GLU 95 HG3 GLU 95 15.177 7.250 1.684 787 H GLY 96 H GLY 96 10.163 6.100 3.684 788 HA2 GLY 96 HA2 GLY 96 8.561 6.356 5.381 789 HA3 GLY 96 HA3 GLY 96 9.704 7.236 6.384 790 H GLU 97 H GLU 97 10.032 8.549 3.259 791 HA GLU 97 HA GLU 97 9.148 11.037 4.083 792 HB2 GLU 97 HB2 GLU 97 10.891 9.813 2.304 793 HB3 GLU 97 HB3 GLU 97 9.646 10.368 1.213 794 HG2 GLU 97 HG2 GLU 97 11.118 12.078 3.260 795 HG3 GLU 97 HG3 GLU 97 11.591 11.806 1.596 796 H LEU 98 H LEU 98 7.124 8.535 2.716 797 HA LEU 98 HA LEU 98 5.469 10.434 1.181 798 HB2 LEU 98 HB2 LEU 98 4.814 7.645 2.206 799 HB3 LEU 98 HB3 LEU 98 3.713 8.674 1.287 800 HG LEU 98 HG LEU 98 6.380 7.596 0.287 801 HD11 LEU 98 HD11 LEU 98 4.583 5.909 0.535 802 HD12 LEU 98 HD12 LEU 98 4.986 6.216 -1.165 803 HD13 LEU 98 HD13 LEU 98 3.504 6.910 -0.466 804 HD21 LEU 98 HD21 LEU 98 5.648 8.450 -1.927 805 HD22 LEU 98 HD22 LEU 98 5.908 9.767 -0.795 806 HD23 LEU 98 HD23 LEU 98 4.253 9.245 -1.167 807 H SER 99 H SER 99 3.541 11.462 1.881 808 HA SER 99 HA SER 99 3.620 12.077 4.738 809 HB2 SER 99 HB2 SER 99 2.842 13.563 2.673 810 HB3 SER 99 HB3 SER 99 1.287 12.741 3.026 811 HG SER 99 HG SER 99 1.875 14.844 4.133 812 H LYS 100 H LYS 100 2.104 11.388 6.171 813 HA LYS 100 HA LYS 100 0.747 8.819 5.529 814 HB2 LYS 100 HB2 LYS 100 1.165 10.390 8.106 815 HB3 LYS 100 HB3 LYS 100 0.129 8.944 8.006 816 HG2 LYS 100 HG2 LYS 100 2.068 7.713 6.970 817 HG3 LYS 100 HG3 LYS 100 3.103 9.121 7.304 818 HD2 LYS 100 HD2 LYS 100 3.530 7.555 9.032 819 HD3 LYS 100 HD3 LYS 100 2.517 8.816 9.745 820 HE2 LYS 100 HE2 LYS 100 0.646 7.014 8.674 821 HE3 LYS 100 HE3 LYS 100 1.946 5.930 9.195 822 HZ1 LYS 100 HZ1 LYS 100 0.854 8.009 10.962 823 HZ2 LYS 100 HZ2 LYS 100 1.721 6.664 11.372 824 HZ3 LYS 100 HZ3 LYS 100 0.166 6.502 10.866 825 H ILE 101 H ILE 101 -1.490 8.568 5.779 826 HA ILE 101 HA ILE 101 -3.056 11.015 5.232 827 HB ILE 101 HB ILE 101 -3.791 8.055 5.179 828 HG12 ILE 101 HG12 ILE 101 -3.195 10.187 3.071 829 HG13 ILE 101 HG13 ILE 101 -2.392 8.638 3.301 830 HG21 ILE 101 HG21 ILE 101 -5.423 10.547 4.595 831 HG22 ILE 101 HG22 ILE 101 -5.964 8.871 4.265 832 HG23 ILE 101 HG23 ILE 101 -5.711 9.400 5.918 833 HD11 ILE 101 HD11 ILE 101 -3.691 8.375 1.361 834 HD12 ILE 101 HD12 ILE 101 -4.655 7.563 2.606 835 HD13 ILE 101 HD13 ILE 101 -5.099 9.191 2.059 836 H SER 102 H SER 102 -4.281 11.967 6.700 837 HA SER 102 HA SER 102 -4.866 10.628 9.268 838 HB2 SER 102 HB2 SER 102 -3.822 13.469 9.243 839 HB3 SER 102 HB3 SER 102 -4.062 12.379 10.622 840 HG SER 102 HG SER 102 -1.869 12.314 10.126 841 H ASN 103 H ASN 103 -5.520 13.516 7.145 842 HA ASN 103 HA ASN 103 -8.388 13.155 7.739 843 HB2 ASN 103 HB2 ASN 103 -8.732 15.524 7.671 844 HB3 ASN 103 HB3 ASN 103 -7.735 15.028 9.031 845 HD21 ASN 103 HD21 ASN 103 -7.992 17.734 8.034 846 HD22 ASN 103 HD22 ASN 103 -6.459 18.220 7.385 847 HA PRO 104 HA PRO 104 -7.723 12.945 3.185 848 HB2 PRO 104 HB2 PRO 104 -8.781 10.482 2.723 849 HB3 PRO 104 HB3 PRO 104 -7.164 10.700 3.373 850 HG2 PRO 104 HG2 PRO 104 -9.745 10.163 4.888 851 HG3 PRO 104 HG3 PRO 104 -8.202 9.297 5.079 852 HD2 PRO 104 HD2 PRO 104 -9.073 11.360 6.688 853 HD3 PRO 104 HD3 PRO 104 -7.341 11.042 6.370 Start of MODEL 20 1 H1 GLY -2 H GLY -2 18.354 2.870 11.071 2 HA2 GLY -2 HA2 GLY -2 18.879 3.571 8.865 3 HA3 GLY -2 HA3 GLY -2 19.922 2.176 9.223 4 H HIS -1 H HIS -1 19.601 0.227 8.010 5 HA HIS -1 HA HIS -1 17.878 0.298 5.708 6 HB2 HIS -1 HB2 HIS -1 19.265 -2.032 7.082 7 HB3 HIS -1 HB3 HIS -1 18.571 -2.079 5.472 8 HD1 HIS -1 HD1 HIS -1 19.877 0.158 3.799 9 HD2 HIS -1 HD2 HIS -1 21.798 -1.763 7.041 10 HE1 HIS -1 HE1 HIS -1 22.318 0.602 3.534 11 H MET 1 H MET 1 16.414 -1.981 5.605 12 HA MET 1 HA MET 1 14.430 -1.680 7.813 13 HB2 MET 1 HB2 MET 1 13.778 -0.167 5.947 14 HB3 MET 1 HB3 MET 1 13.919 -1.541 4.824 15 HG2 MET 1 HG2 MET 1 11.590 -1.184 5.437 16 HG3 MET 1 HG3 MET 1 12.181 -2.743 6.044 17 HE1 MET 1 HE1 MET 1 10.866 -3.476 7.647 18 HE2 MET 1 HE2 MET 1 10.627 -2.837 9.271 19 HE3 MET 1 HE3 MET 1 9.547 -2.327 7.948 20 H ILE 2 H ILE 2 13.793 -3.731 8.490 21 HA ILE 2 HA ILE 2 14.286 -5.983 6.583 22 HB ILE 2 HB ILE 2 14.230 -6.290 9.576 23 HG12 ILE 2 HG12 ILE 2 16.024 -4.697 9.415 24 HG13 ILE 2 HG13 ILE 2 16.664 -6.294 9.704 25 HG21 ILE 2 HG21 ILE 2 15.434 -7.859 7.277 26 HG22 ILE 2 HG22 ILE 2 15.563 -8.311 8.992 27 HG23 ILE 2 HG23 ILE 2 13.979 -8.254 8.193 28 HD11 ILE 2 HD11 ILE 2 18.132 -5.264 8.170 29 HD12 ILE 2 HD12 ILE 2 17.216 -6.444 7.214 30 HD13 ILE 2 HD13 ILE 2 16.817 -4.706 7.138 31 H ASN 3 H ASN 3 12.593 -7.397 6.297 32 HA ASN 3 HA ASN 3 10.390 -7.883 6.031 33 HB2 ASN 3 HB2 ASN 3 10.871 -9.231 7.938 34 HB3 ASN 3 HB3 ASN 3 10.602 -7.865 9.040 35 HD21 ASN 3 HD21 ASN 3 8.946 -8.828 10.240 36 HD22 ASN 3 HD22 ASN 3 7.366 -9.160 9.587 37 H MET 4 H MET 4 10.271 -5.552 5.111 38 HA MET 4 HA MET 4 8.118 -4.013 6.479 39 HB2 MET 4 HB2 MET 4 10.113 -2.850 5.494 40 HB3 MET 4 HB3 MET 4 9.740 -3.576 3.948 41 HG2 MET 4 HG2 MET 4 9.012 -1.399 3.792 42 HG3 MET 4 HG3 MET 4 7.540 -2.324 4.015 43 HE1 MET 4 HE1 MET 4 8.632 1.397 6.020 44 HE2 MET 4 HE2 MET 4 10.048 0.339 6.201 45 HE3 MET 4 HE3 MET 4 9.360 0.651 4.603 46 H LYS 5 H LYS 5 6.094 -3.892 5.290 47 HA LYS 5 HA LYS 5 5.911 -5.263 2.696 48 HB2 LYS 5 HB2 LYS 5 4.450 -6.077 5.194 49 HB3 LYS 5 HB3 LYS 5 3.503 -6.030 3.700 50 HG2 LYS 5 HG2 LYS 5 4.604 -7.795 2.738 51 HG3 LYS 5 HG3 LYS 5 6.127 -7.341 3.462 52 HD2 LYS 5 HD2 LYS 5 5.868 -9.233 4.530 53 HD3 LYS 5 HD3 LYS 5 5.103 -8.190 5.729 54 HE2 LYS 5 HE2 LYS 5 3.045 -9.148 5.383 55 HE3 LYS 5 HE3 LYS 5 3.264 -9.237 3.641 56 HZ1 LYS 5 HZ1 LYS 5 4.647 -11.197 3.946 57 HZ2 LYS 5 HZ2 LYS 5 3.217 -11.466 4.650 58 HZ3 LYS 5 HZ3 LYS 5 4.578 -11.101 5.551 59 H VAL 6 H VAL 6 4.576 -4.070 1.323 60 HA VAL 6 HA VAL 6 2.708 -2.193 2.580 61 HB VAL 6 HB VAL 6 4.843 -1.503 0.530 62 HG11 VAL 6 HG11 VAL 6 2.773 -0.637 -0.472 63 HG12 VAL 6 HG12 VAL 6 2.329 0.130 1.080 64 HG13 VAL 6 HG13 VAL 6 3.750 0.672 0.167 65 HG21 VAL 6 HG21 VAL 6 5.503 -1.086 2.767 66 HG22 VAL 6 HG22 VAL 6 5.003 0.476 2.073 67 HG23 VAL 6 HG23 VAL 6 3.926 -0.386 3.185 68 H ALA 7 H ALA 7 0.831 -1.854 1.391 69 HA ALA 7 HA ALA 7 0.501 -3.569 -1.038 70 HB1 ALA 7 HB1 ALA 7 -1.700 -3.911 -0.512 71 HB2 ALA 7 HB2 ALA 7 -1.046 -3.811 1.117 72 HB3 ALA 7 HB3 ALA 7 -1.873 -2.416 0.390 73 H ILE 8 H ILE 8 1.049 -2.252 -2.803 74 HA ILE 8 HA ILE 8 0.212 0.578 -2.847 75 HB ILE 8 HB ILE 8 1.407 -1.117 -5.113 76 HG12 ILE 8 HG12 ILE 8 2.814 0.753 -3.140 77 HG13 ILE 8 HG13 ILE 8 2.929 -1.000 -3.109 78 HG21 ILE 8 HG21 ILE 8 1.880 1.040 -6.151 79 HG22 ILE 8 HG22 ILE 8 0.169 0.989 -5.764 80 HG23 ILE 8 HG23 ILE 8 1.276 1.918 -4.727 81 HD11 ILE 8 HD11 ILE 8 3.866 0.714 -5.444 82 HD12 ILE 8 HD12 ILE 8 4.890 0.037 -4.204 83 HD13 ILE 8 HD13 ILE 8 4.001 -1.045 -5.290 84 H SER 9 H SER 9 -1.954 0.999 -3.307 85 HA SER 9 HA SER 9 -3.574 -1.090 -4.560 86 HB2 SER 9 HB2 SER 9 -5.431 0.317 -4.252 87 HB3 SER 9 HB3 SER 9 -4.454 0.371 -2.798 88 HG SER 9 HG SER 9 -4.984 2.350 -4.695 89 H MET 10 H MET 10 -3.377 -1.533 -6.697 90 HA MET 10 HA MET 10 -2.444 0.586 -8.584 91 HB2 MET 10 HB2 MET 10 -2.060 -2.417 -8.526 92 HB3 MET 10 HB3 MET 10 -1.581 -1.388 -9.886 93 HG2 MET 10 HG2 MET 10 -0.468 -1.116 -7.080 94 HG3 MET 10 HG3 MET 10 0.247 -2.069 -8.358 95 HE1 MET 10 HE1 MET 10 1.743 -1.378 -10.081 96 HE2 MET 10 HE2 MET 10 0.388 -0.666 -10.982 97 HE3 MET 10 HE3 MET 10 1.902 0.250 -10.761 98 H ASP 11 H ASP 11 -3.211 0.377 -10.705 99 HA ASP 11 HA ASP 11 -5.998 -0.678 -10.956 100 HB2 ASP 11 HB2 ASP 11 -4.642 1.826 -11.653 101 HB3 ASP 11 HB3 ASP 11 -5.361 1.102 -13.081 102 H VAL 12 H VAL 12 -3.313 -0.031 -13.342 103 HA VAL 12 HA VAL 12 -3.636 -2.833 -14.278 104 HB VAL 12 HB VAL 12 -4.070 -0.267 -15.844 105 HG11 VAL 12 HG11 VAL 12 -3.887 -3.047 -17.055 106 HG12 VAL 12 HG12 VAL 12 -4.150 -1.494 -17.883 107 HG13 VAL 12 HG13 VAL 12 -2.594 -1.828 -17.142 108 HG21 VAL 12 HG21 VAL 12 -6.116 -1.044 -14.795 109 HG22 VAL 12 HG22 VAL 12 -6.226 -1.478 -16.496 110 HG23 VAL 12 HG23 VAL 12 -5.807 -2.716 -15.308 111 H ASP 13 H ASP 13 -1.864 0.312 -14.547 112 HA ASP 13 HA ASP 13 0.618 -1.314 -14.600 113 HB2 ASP 13 HB2 ASP 13 -0.386 0.789 -16.516 114 HB3 ASP 13 HB3 ASP 13 1.327 0.777 -16.188 115 H LYS 14 H LYS 14 -1.056 1.240 -13.131 116 HA LYS 14 HA LYS 14 1.332 2.208 -11.729 117 HB2 LYS 14 HB2 LYS 14 0.497 4.597 -12.260 118 HB3 LYS 14 HB3 LYS 14 1.360 3.726 -13.528 119 HG2 LYS 14 HG2 LYS 14 -0.672 3.166 -14.691 120 HG3 LYS 14 HG3 LYS 14 -1.656 3.808 -13.362 121 HD2 LYS 14 HD2 LYS 14 0.294 5.588 -14.819 122 HD3 LYS 14 HD3 LYS 14 -1.230 5.162 -15.595 123 HE2 LYS 14 HE2 LYS 14 -1.477 6.047 -12.755 124 HE3 LYS 14 HE3 LYS 14 -0.861 7.260 -13.868 125 HZ1 LYS 14 HZ1 LYS 14 -2.810 6.904 -15.258 126 HZ2 LYS 14 HZ2 LYS 14 -3.220 7.365 -13.730 127 HZ3 LYS 14 HZ3 LYS 14 -3.411 5.802 -14.178 128 H ILE 15 H ILE 15 0.497 3.894 -10.090 129 HA ILE 15 HA ILE 15 -1.204 2.602 -8.304 130 HB ILE 15 HB ILE 15 -0.388 5.527 -8.513 131 HG12 ILE 15 HG12 ILE 15 0.655 3.518 -6.497 132 HG13 ILE 15 HG13 ILE 15 1.291 3.461 -8.128 133 HG21 ILE 15 HG21 ILE 15 -2.349 5.416 -7.045 134 HG22 ILE 15 HG22 ILE 15 -1.653 4.052 -6.142 135 HG23 ILE 15 HG23 ILE 15 -0.908 5.664 -6.061 136 HD11 ILE 15 HD11 ILE 15 2.292 5.569 -8.001 137 HD12 ILE 15 HD12 ILE 15 1.322 6.060 -6.604 138 HD13 ILE 15 HD13 ILE 15 2.592 4.843 -6.411 139 H SER 16 H SER 16 -3.240 2.718 -7.796 140 HA SER 16 HA SER 16 -5.252 3.281 -9.801 141 HB2 SER 16 HB2 SER 16 -6.782 2.567 -7.952 142 HB3 SER 16 HB3 SER 16 -5.481 1.416 -8.259 143 HG SER 16 HG SER 16 -4.343 2.292 -6.506 144 H ASN 17 H ASN 17 -7.205 4.601 -9.342 145 HA ASN 17 HA ASN 17 -6.411 7.279 -8.583 146 HB2 ASN 17 HB2 ASN 17 -8.134 6.658 -10.346 147 HB3 ASN 17 HB3 ASN 17 -9.240 6.329 -8.997 148 HD21 ASN 17 HD21 ASN 17 -9.718 8.153 -7.494 149 HD22 ASN 17 HD22 ASN 17 -9.652 9.789 -8.102 150 H SER 18 H SER 18 -8.074 4.593 -6.850 151 HA SER 18 HA SER 18 -7.857 6.047 -4.354 152 HB2 SER 18 HB2 SER 18 -10.647 5.126 -4.825 153 HB3 SER 18 HB3 SER 18 -10.053 6.555 -3.984 154 HG SER 18 HG SER 18 -10.520 7.684 -5.642 155 H PHE 19 H PHE 19 -8.424 4.549 -2.427 156 HA PHE 19 HA PHE 19 -7.452 1.902 -2.913 157 HB2 PHE 19 HB2 PHE 19 -7.189 3.172 -0.783 158 HB3 PHE 19 HB3 PHE 19 -8.922 3.124 -0.556 159 HD1 PHE 19 HD2 PHE 19 -5.790 1.101 -0.410 160 HD2 PHE 19 HD1 PHE 19 -10.062 1.069 0.173 161 HE1 PHE 19 HE2 PHE 19 -5.625 -1.043 0.810 162 HE2 PHE 19 HE1 PHE 19 -9.846 -1.063 1.460 163 HZ PHE 19 HZ PHE 19 -7.617 -2.091 1.820 164 H GLU 20 H GLU 20 -10.745 3.306 -2.574 165 HA GLU 20 HA GLU 20 -11.985 0.675 -2.777 166 HB2 GLU 20 HB2 GLU 20 -12.806 3.384 -2.004 167 HB3 GLU 20 HB3 GLU 20 -14.006 2.593 -3.054 168 HG2 GLU 20 HG2 GLU 20 -12.789 1.047 -0.813 169 HG3 GLU 20 HG3 GLU 20 -13.989 2.234 -0.413 170 H ASP 21 H ASP 21 -10.399 2.469 -5.035 171 HA ASP 21 HA ASP 21 -12.234 1.572 -7.202 172 HB2 ASP 21 HB2 ASP 21 -11.691 4.215 -6.542 173 HB3 ASP 21 HB3 ASP 21 -10.424 3.918 -7.712 174 H CYS 22 H CYS 22 -9.353 0.840 -5.765 175 HA CYS 22 HA CYS 22 -7.724 0.543 -8.117 176 HB2 CYS 22 HB2 CYS 22 -6.253 -0.764 -6.699 177 HB3 CYS 22 HB3 CYS 22 -6.836 0.655 -5.813 178 HG CYS 22 HG CYS 22 -8.626 -0.558 -4.374 179 H LYS 23 H LYS 23 -6.901 -1.638 -8.782 180 HA LYS 23 HA LYS 23 -9.151 -3.589 -9.240 181 HB2 LYS 23 HB2 LYS 23 -6.657 -2.857 -10.770 182 HB3 LYS 23 HB3 LYS 23 -7.536 -4.332 -11.114 183 HG2 LYS 23 HG2 LYS 23 -7.995 -2.542 -12.737 184 HG3 LYS 23 HG3 LYS 23 -9.430 -3.157 -11.934 185 HD2 LYS 23 HD2 LYS 23 -9.661 -1.193 -10.583 186 HD3 LYS 23 HD3 LYS 23 -8.077 -0.613 -11.048 187 HE2 LYS 23 HE2 LYS 23 -9.613 0.691 -12.243 188 HE3 LYS 23 HE3 LYS 23 -8.896 -0.404 -13.427 189 HZ1 LYS 23 HZ1 LYS 23 -11.429 -1.021 -12.053 190 HZ2 LYS 23 HZ2 LYS 23 -10.888 -1.630 -13.512 191 HZ3 LYS 23 HZ3 LYS 23 -11.412 -0.078 -13.350 192 H TYR 24 H TYR 24 -5.814 -3.051 -7.987 193 HA TYR 24 HA TYR 24 -6.067 -5.531 -6.583 194 HB2 TYR 24 HB2 TYR 24 -4.158 -6.627 -7.408 195 HB3 TYR 24 HB3 TYR 24 -5.219 -6.389 -8.754 196 HD1 TYR 24 HD2 TYR 24 -4.725 -4.410 -10.309 197 HD2 TYR 24 HD1 TYR 24 -1.816 -6.276 -7.768 198 HE1 TYR 24 HE2 TYR 24 -2.851 -3.363 -11.624 199 HE2 TYR 24 HE1 TYR 24 -0.054 -5.383 -8.992 200 HH TYR 24 HH TYR 24 0.215 -4.327 -11.568 201 H PHE 25 H PHE 25 -4.126 -5.960 -5.304 202 HA PHE 25 HA PHE 25 -2.818 -3.522 -4.251 203 HB2 PHE 25 HB2 PHE 25 -3.599 -6.124 -2.885 204 HB3 PHE 25 HB3 PHE 25 -2.742 -4.791 -2.137 205 HD1 PHE 25 HD1 PHE 25 -3.921 -2.419 -2.357 206 HD2 PHE 25 HD2 PHE 25 -5.953 -6.198 -2.808 207 HE1 PHE 25 HE1 PHE 25 -6.112 -1.314 -1.907 208 HE2 PHE 25 HE2 PHE 25 -8.111 -5.103 -2.240 209 HZ PHE 25 HZ PHE 25 -8.196 -2.673 -1.833 210 H LEU 26 H LEU 26 -0.949 -3.497 -5.269 211 HA LEU 26 HA LEU 26 0.571 -5.916 -5.848 212 HB2 LEU 26 HB2 LEU 26 0.482 -3.963 -7.353 213 HB3 LEU 26 HB3 LEU 26 1.376 -2.998 -6.199 214 HG LEU 26 HG LEU 26 3.382 -4.043 -6.679 215 HD11 LEU 26 HD11 LEU 26 3.016 -6.338 -6.196 216 HD12 LEU 26 HD12 LEU 26 3.566 -6.276 -7.883 217 HD13 LEU 26 HD13 LEU 26 1.839 -6.518 -7.549 218 HD21 LEU 26 HD21 LEU 26 3.571 -4.061 -9.057 219 HD22 LEU 26 HD22 LEU 26 2.155 -3.058 -8.734 220 HD23 LEU 26 HD23 LEU 26 1.951 -4.731 -9.291 221 H ILE 27 H ILE 27 1.131 -6.817 -4.000 222 HA ILE 27 HA ILE 27 1.989 -5.405 -1.662 223 HB ILE 27 HB ILE 27 2.389 -8.383 -2.146 224 HG12 ILE 27 HG12 ILE 27 0.018 -8.000 -2.418 225 HG13 ILE 27 HG13 ILE 27 0.333 -8.698 -0.836 226 HG21 ILE 27 HG21 ILE 27 3.752 -7.532 -0.386 227 HG22 ILE 27 HG22 ILE 27 2.439 -6.562 0.276 228 HG23 ILE 27 HG23 ILE 27 2.368 -8.331 0.392 229 HD11 ILE 27 HD11 ILE 27 0.101 -6.414 0.167 230 HD12 ILE 27 HD12 ILE 27 -0.381 -5.798 -1.443 231 HD13 ILE 27 HD13 ILE 27 -1.336 -7.010 -0.582 232 H VAL 28 H VAL 28 3.888 -4.626 -1.279 233 HA VAL 28 HA VAL 28 6.264 -5.399 -2.847 234 HB VAL 28 HB VAL 28 5.764 -3.036 -0.995 235 HG11 VAL 28 HG11 VAL 28 7.901 -3.440 -3.100 236 HG12 VAL 28 HG12 VAL 28 7.724 -2.026 -2.041 237 HG13 VAL 28 HG13 VAL 28 8.165 -3.612 -1.370 238 HG21 VAL 28 HG21 VAL 28 5.483 -1.618 -2.889 239 HG22 VAL 28 HG22 VAL 28 5.753 -2.947 -4.039 240 HG23 VAL 28 HG23 VAL 28 4.286 -2.898 -3.041 241 H ARG 29 H ARG 29 7.790 -6.586 -1.742 242 HA ARG 29 HA ARG 29 7.804 -6.733 1.242 243 HB2 ARG 29 HB2 ARG 29 8.269 -8.960 -0.753 244 HB3 ARG 29 HB3 ARG 29 9.247 -8.880 0.704 245 HG2 ARG 29 HG2 ARG 29 7.621 -10.323 1.366 246 HG3 ARG 29 HG3 ARG 29 7.019 -8.810 2.019 247 HD2 ARG 29 HD2 ARG 29 5.371 -8.599 0.359 248 HD3 ARG 29 HD3 ARG 29 6.172 -9.701 -0.759 249 HE ARG 29 HE ARG 29 4.191 -10.373 1.182 250 HH11 ARG 29 HH11 ARG 29 7.196 -11.757 -0.212 251 HH12 ARG 29 HH12 ARG 29 6.780 -13.359 0.257 252 HH21 ARG 29 HH21 ARG 29 3.537 -12.613 1.385 253 HH22 ARG 29 HH22 ARG 29 4.730 -13.829 1.132 254 H ILE 30 H ILE 30 9.187 -5.098 1.461 255 HA ILE 30 HA ILE 30 11.763 -5.079 0.018 256 HB ILE 30 HB ILE 30 10.364 -3.297 2.017 257 HG12 ILE 30 HG12 ILE 30 11.776 -2.303 -0.441 258 HG13 ILE 30 HG13 ILE 30 10.249 -3.155 -0.646 259 HG21 ILE 30 HG21 ILE 30 12.442 -1.853 2.095 260 HG22 ILE 30 HG22 ILE 30 12.602 -3.396 2.950 261 HG23 ILE 30 HG23 ILE 30 13.304 -3.198 1.332 262 HD11 ILE 30 HD11 ILE 30 9.144 -1.624 0.970 263 HD12 ILE 30 HD12 ILE 30 10.669 -0.735 1.146 264 HD13 ILE 30 HD13 ILE 30 9.837 -0.754 -0.430 265 H ASP 31 H ASP 31 13.668 -5.663 1.153 266 HA ASP 31 HA ASP 31 13.529 -6.528 3.922 267 HB2 ASP 31 HB2 ASP 31 12.830 -8.545 2.451 268 HB3 ASP 31 HB3 ASP 31 14.454 -8.521 1.804 269 H ASP 32 H ASP 32 15.513 -6.120 4.821 270 HA ASP 32 HA ASP 32 17.396 -4.921 5.050 271 HB2 ASP 32 HB2 ASP 32 18.149 -7.277 4.363 272 HB3 ASP 32 HB3 ASP 32 18.601 -6.549 2.830 273 H ASN 33 H ASN 33 15.546 -3.708 3.778 274 HA ASN 33 HA ASN 33 15.020 -1.722 2.874 275 HB2 ASN 33 HB2 ASN 33 17.516 -1.234 3.705 276 HB3 ASN 33 HB3 ASN 33 17.788 -1.052 1.984 277 HD21 ASN 33 HD21 ASN 33 15.466 -0.058 4.667 278 HD22 ASN 33 HD22 ASN 33 15.513 1.604 4.177 279 H GLU 34 H GLU 34 16.481 -4.138 0.872 280 HA GLU 34 HA GLU 34 15.936 -2.725 -1.621 281 HB2 GLU 34 HB2 GLU 34 18.101 -3.625 -1.364 282 HB3 GLU 34 HB3 GLU 34 17.502 -5.119 -0.639 283 HG2 GLU 34 HG2 GLU 34 16.713 -5.977 -2.655 284 HG3 GLU 34 HG3 GLU 34 16.959 -4.443 -3.519 285 H VAL 35 H VAL 35 14.919 -4.180 -3.367 286 HA VAL 35 HA VAL 35 12.499 -5.452 -2.251 287 HB VAL 35 HB VAL 35 11.953 -3.746 -3.659 288 HG11 VAL 35 HG11 VAL 35 14.158 -4.597 -5.518 289 HG12 VAL 35 HG12 VAL 35 12.744 -3.784 -6.190 290 HG13 VAL 35 HG13 VAL 35 13.696 -2.987 -4.944 291 HG21 VAL 35 HG21 VAL 35 10.867 -6.018 -4.002 292 HG22 VAL 35 HG22 VAL 35 10.575 -4.782 -5.252 293 HG23 VAL 35 HG23 VAL 35 11.727 -6.099 -5.543 294 H LYS 36 H LYS 36 12.186 -7.568 -2.323 295 HA LYS 36 HA LYS 36 14.109 -9.237 -3.885 296 HB2 LYS 36 HB2 LYS 36 12.117 -10.035 -1.698 297 HB3 LYS 36 HB3 LYS 36 13.300 -11.094 -2.473 298 HG2 LYS 36 HG2 LYS 36 13.855 -8.746 -0.613 299 HG3 LYS 36 HG3 LYS 36 14.187 -10.469 -0.363 300 HD2 LYS 36 HD2 LYS 36 15.645 -10.161 -2.576 301 HD3 LYS 36 HD3 LYS 36 15.641 -8.461 -2.085 302 HE2 LYS 36 HE2 LYS 36 17.129 -8.838 -0.509 303 HE3 LYS 36 HE3 LYS 36 16.251 -10.194 0.193 304 HZ1 LYS 36 HZ1 LYS 36 17.247 -11.561 -1.585 305 HZ2 LYS 36 HZ2 LYS 36 18.395 -10.837 -0.592 306 HZ3 LYS 36 HZ3 LYS 36 18.118 -10.237 -2.073 307 H SER 37 H SER 37 10.560 -8.851 -3.496 308 HA SER 37 HA SER 37 10.107 -9.809 -6.174 309 HB2 SER 37 HB2 SER 37 10.556 -11.947 -4.835 310 HB3 SER 37 HB3 SER 37 9.113 -11.566 -3.884 311 HG SER 37 HG SER 37 8.768 -13.002 -5.636 312 H THR 38 H THR 38 7.663 -9.913 -6.491 313 HA THR 38 HA THR 38 6.287 -7.882 -4.810 314 HB THR 38 HB THR 38 5.313 -7.457 -7.312 315 HG1 THR 38 HG1 THR 38 7.128 -7.408 -8.749 316 HG21 THR 38 HG21 THR 38 6.889 -5.529 -7.401 317 HG22 THR 38 HG22 THR 38 7.817 -6.244 -6.077 318 HG23 THR 38 HG23 THR 38 6.130 -5.728 -5.823 319 H LYS 39 H LYS 39 3.846 -8.041 -5.035 320 HA LYS 39 HA LYS 39 2.895 -10.730 -5.982 321 HB2 LYS 39 HB2 LYS 39 3.221 -9.926 -3.221 322 HB3 LYS 39 HB3 LYS 39 1.462 -9.883 -3.598 323 HG2 LYS 39 HG2 LYS 39 1.509 -12.003 -3.084 324 HG3 LYS 39 HG3 LYS 39 2.068 -12.248 -4.743 325 HD2 LYS 39 HD2 LYS 39 4.410 -11.605 -3.365 326 HD3 LYS 39 HD3 LYS 39 3.531 -12.520 -2.129 327 HE2 LYS 39 HE2 LYS 39 3.956 -13.425 -5.033 328 HE3 LYS 39 HE3 LYS 39 5.061 -13.906 -3.710 329 HZ1 LYS 39 HZ1 LYS 39 2.162 -14.575 -3.736 330 HZ2 LYS 39 HZ2 LYS 39 3.314 -15.154 -2.700 331 HZ3 LYS 39 HZ3 LYS 39 3.323 -15.533 -4.283 332 H VAL 40 H VAL 40 0.862 -10.488 -7.080 333 HA VAL 40 HA VAL 40 -0.719 -8.248 -6.204 334 HB VAL 40 HB VAL 40 -0.296 -7.764 -8.103 335 HG11 VAL 40 HG11 VAL 40 -0.447 -8.655 -10.130 336 HG12 VAL 40 HG12 VAL 40 0.788 -9.496 -9.245 337 HG13 VAL 40 HG13 VAL 40 -0.777 -10.340 -9.532 338 HG21 VAL 40 HG21 VAL 40 -2.862 -8.182 -7.598 339 HG22 VAL 40 HG22 VAL 40 -2.545 -8.024 -9.318 340 HG23 VAL 40 HG23 VAL 40 -2.750 -9.602 -8.568 341 H ILE 41 H ILE 41 -2.304 -8.336 -5.101 342 HA ILE 41 HA ILE 41 -3.991 -10.762 -4.799 343 HB ILE 41 HB ILE 41 -3.662 -8.305 -2.995 344 HG12 ILE 41 HG12 ILE 41 -2.638 -11.141 -2.469 345 HG13 ILE 41 HG13 ILE 41 -1.641 -9.693 -2.773 346 HG21 ILE 41 HG21 ILE 41 -5.896 -9.394 -3.078 347 HG22 ILE 41 HG22 ILE 41 -5.135 -10.936 -2.524 348 HG23 ILE 41 HG23 ILE 41 -5.147 -9.466 -1.481 349 HD11 ILE 41 HD11 ILE 41 -1.611 -9.839 -0.454 350 HD12 ILE 41 HD12 ILE 41 -2.891 -8.657 -0.726 351 HD13 ILE 41 HD13 ILE 41 -3.306 -10.337 -0.331 352 H PHE 42 H PHE 42 -5.813 -10.394 -6.150 353 HA PHE 42 HA PHE 42 -6.258 -7.850 -7.462 354 HB2 PHE 42 HB2 PHE 42 -7.795 -10.469 -7.148 355 HB3 PHE 42 HB3 PHE 42 -8.522 -9.087 -7.936 356 HD1 PHE 42 HD1 PHE 42 -6.821 -7.876 -9.721 357 HD2 PHE 42 HD2 PHE 42 -6.948 -12.072 -8.700 358 HE1 PHE 42 HE1 PHE 42 -5.893 -8.426 -11.916 359 HE2 PHE 42 HE2 PHE 42 -6.115 -12.634 -10.976 360 HZ PHE 42 HZ PHE 42 -5.652 -10.827 -12.621 361 H ASN 43 H ASN 43 -8.238 -6.521 -7.149 362 HA ASN 43 HA ASN 43 -8.784 -6.096 -4.272 363 HB2 ASN 43 HB2 ASN 43 -8.322 -4.101 -5.512 364 HB3 ASN 43 HB3 ASN 43 -9.461 -4.553 -6.801 365 HD21 ASN 43 HD21 ASN 43 -10.900 -2.686 -6.594 366 HD22 ASN 43 HD22 ASN 43 -11.992 -2.727 -5.211 367 H ASP 44 H ASP 44 -9.933 -8.088 -3.860 368 HA ASP 44 HA ASP 44 -12.745 -8.042 -4.686 369 HB2 ASP 44 HB2 ASP 44 -11.066 -9.464 -6.238 370 HB3 ASP 44 HB3 ASP 44 -11.207 -10.637 -4.938 371 H GLU 45 H GLU 45 -13.812 -10.023 -3.460 372 HA GLU 45 HA GLU 45 -13.502 -9.817 -0.696 373 HB2 GLU 45 HB2 GLU 45 -15.513 -10.662 -1.599 374 HB3 GLU 45 HB3 GLU 45 -14.703 -11.996 -2.445 375 HG2 GLU 45 HG2 GLU 45 -14.181 -13.110 -0.333 376 HG3 GLU 45 HG3 GLU 45 -14.674 -11.684 0.591 377 H SER 46 H SER 46 -12.108 -12.249 -2.919 378 HA SER 46 HA SER 46 -10.796 -13.646 -0.700 379 HB2 SER 46 HB2 SER 46 -11.696 -14.471 -3.159 380 HB3 SER 46 HB3 SER 46 -9.977 -14.274 -3.494 381 HG SER 46 HG SER 46 -11.313 -16.049 -1.756 382 H GLY 47 H GLY 47 -10.187 -10.848 -2.351 383 HA2 GLY 47 HA2 GLY 47 -7.308 -11.002 -2.483 384 HA3 GLY 47 HA3 GLY 47 -8.350 -9.591 -2.794 385 H LYS 48 H LYS 48 -9.648 -8.840 -0.857 386 HA LYS 48 HA LYS 48 -7.860 -7.855 1.172 387 HB2 LYS 48 HB2 LYS 48 -10.901 -8.043 0.982 388 HB3 LYS 48 HB3 LYS 48 -10.080 -7.295 2.343 389 HG2 LYS 48 HG2 LYS 48 -9.688 -5.400 1.247 390 HG3 LYS 48 HG3 LYS 48 -8.958 -6.215 -0.121 391 HD2 LYS 48 HD2 LYS 48 -10.791 -4.942 -0.960 392 HD3 LYS 48 HD3 LYS 48 -11.237 -6.644 -1.072 393 HE2 LYS 48 HE2 LYS 48 -13.201 -5.835 -0.173 394 HE3 LYS 48 HE3 LYS 48 -12.330 -6.099 1.349 395 HZ1 LYS 48 HZ1 LYS 48 -13.081 -3.942 1.497 396 HZ2 LYS 48 HZ2 LYS 48 -12.871 -3.638 -0.105 397 HZ3 LYS 48 HZ3 LYS 48 -11.543 -3.690 0.863 398 H LYS 49 H LYS 49 -9.836 -10.902 1.071 399 HA LYS 49 HA LYS 49 -9.647 -11.525 3.788 400 HB2 LYS 49 HB2 LYS 49 -10.425 -13.560 3.325 401 HB3 LYS 49 HB3 LYS 49 -10.823 -12.792 1.812 402 HG2 LYS 49 HG2 LYS 49 -8.636 -13.632 0.922 403 HG3 LYS 49 HG3 LYS 49 -8.430 -14.502 2.434 404 HD2 LYS 49 HD2 LYS 49 -10.939 -14.987 0.844 405 HD3 LYS 49 HD3 LYS 49 -9.444 -15.667 0.234 406 HE2 LYS 49 HE2 LYS 49 -10.142 -16.201 3.113 407 HE3 LYS 49 HE3 LYS 49 -11.142 -16.944 1.873 408 HZ1 LYS 49 HZ1 LYS 49 -8.211 -17.258 2.004 409 HZ2 LYS 49 HZ2 LYS 49 -9.220 -17.930 0.889 410 HZ3 LYS 49 HZ3 LYS 49 -9.347 -18.385 2.461 411 H SER 50 H SER 50 -7.148 -11.704 1.321 412 HA SER 50 HA SER 50 -5.307 -13.196 3.028 413 HB2 SER 50 HB2 SER 50 -5.182 -12.115 0.191 414 HB3 SER 50 HB3 SER 50 -3.816 -12.902 0.989 415 HG SER 50 HG SER 50 -5.105 -14.364 -0.206 416 H ILE 51 H ILE 51 -5.826 -9.736 2.266 417 HA ILE 51 HA ILE 51 -3.194 -8.839 3.107 418 HB ILE 51 HB ILE 51 -5.934 -7.462 3.251 419 HG12 ILE 51 HG12 ILE 51 -3.818 -7.351 1.056 420 HG13 ILE 51 HG13 ILE 51 -5.398 -8.138 0.945 421 HG21 ILE 51 HG21 ILE 51 -4.181 -6.321 4.668 422 HG22 ILE 51 HG22 ILE 51 -3.209 -6.107 3.199 423 HG23 ILE 51 HG23 ILE 51 -4.818 -5.348 3.349 424 HD11 ILE 51 HD11 ILE 51 -4.846 -5.151 1.088 425 HD12 ILE 51 HD12 ILE 51 -5.632 -6.089 -0.187 426 HD13 ILE 51 HD13 ILE 51 -6.465 -5.835 1.363 427 H VAL 52 H VAL 52 -6.193 -9.808 4.849 428 HA VAL 52 HA VAL 52 -5.134 -9.019 7.429 429 HB VAL 52 HB VAL 52 -7.322 -11.043 6.830 430 HG11 VAL 52 HG11 VAL 52 -6.730 -9.243 9.230 431 HG12 VAL 52 HG12 VAL 52 -8.272 -10.114 8.981 432 HG13 VAL 52 HG13 VAL 52 -6.789 -11.017 9.221 433 HG21 VAL 52 HG21 VAL 52 -7.881 -9.056 5.619 434 HG22 VAL 52 HG22 VAL 52 -8.817 -8.975 7.109 435 HG23 VAL 52 HG23 VAL 52 -7.318 -8.015 6.934 436 H LYS 53 H LYS 53 -3.936 -11.372 5.320 437 HA LYS 53 HA LYS 53 -2.964 -12.882 7.609 438 HB2 LYS 53 HB2 LYS 53 -3.439 -13.787 4.728 439 HB3 LYS 53 HB3 LYS 53 -2.356 -14.618 5.809 440 HG2 LYS 53 HG2 LYS 53 -4.218 -15.861 6.153 441 HG3 LYS 53 HG3 LYS 53 -4.331 -14.721 7.487 442 HD2 LYS 53 HD2 LYS 53 -5.915 -13.348 6.111 443 HD3 LYS 53 HD3 LYS 53 -5.762 -14.550 4.803 444 HE2 LYS 53 HE2 LYS 53 -6.555 -16.258 6.614 445 HE3 LYS 53 HE3 LYS 53 -7.054 -14.828 7.533 446 HZ1 LYS 53 HZ1 LYS 53 -8.057 -15.759 4.931 447 HZ2 LYS 53 HZ2 LYS 53 -8.292 -14.197 5.429 448 HZ3 LYS 53 HZ3 LYS 53 -8.926 -15.436 6.280 449 H GLU 54 H GLU 54 -1.941 -10.131 6.319 450 HA GLU 54 HA GLU 54 0.810 -10.994 6.144 451 HB2 GLU 54 HB2 GLU 54 0.862 -9.168 4.341 452 HB3 GLU 54 HB3 GLU 54 0.133 -10.717 3.840 453 HG2 GLU 54 HG2 GLU 54 -1.861 -9.918 3.923 454 HG3 GLU 54 HG3 GLU 54 -1.340 -8.243 4.447 455 H ASN 55 H ASN 55 2.214 -9.614 7.078 456 HA ASN 55 HA ASN 55 1.162 -7.638 8.941 457 HB2 ASN 55 HB2 ASN 55 4.031 -8.537 8.415 458 HB3 ASN 55 HB3 ASN 55 3.466 -7.543 9.766 459 HD21 ASN 55 HD21 ASN 55 4.492 -10.598 9.228 460 HD22 ASN 55 HD22 ASN 55 3.448 -11.417 10.345 461 H VAL 56 H VAL 56 0.347 -6.427 6.886 462 HA VAL 56 HA VAL 56 2.376 -4.994 5.384 463 HB VAL 56 HB VAL 56 -0.309 -3.745 5.807 464 HG11 VAL 56 HG11 VAL 56 1.262 -4.236 3.312 465 HG12 VAL 56 HG12 VAL 56 -0.132 -3.167 3.534 466 HG13 VAL 56 HG13 VAL 56 1.396 -2.832 4.369 467 HG21 VAL 56 HG21 VAL 56 -1.242 -5.906 5.639 468 HG22 VAL 56 HG22 VAL 56 -1.359 -5.143 4.035 469 HG23 VAL 56 HG23 VAL 56 -0.104 -6.362 4.358 470 H ASN 57 H ASN 57 3.326 -3.137 5.952 471 HA ASN 57 HA ASN 57 3.092 -1.969 8.665 472 HB2 ASN 57 HB2 ASN 57 5.243 -2.306 6.981 473 HB3 ASN 57 HB3 ASN 57 4.729 -0.706 6.470 474 HD21 ASN 57 HD21 ASN 57 6.197 -2.617 8.982 475 HD22 ASN 57 HD22 ASN 57 6.887 -1.216 9.817 476 H ALA 58 H ALA 58 2.542 -1.233 5.160 477 HA ALA 58 HA ALA 58 0.638 0.828 5.907 478 HB1 ALA 58 HB1 ALA 58 2.612 2.162 5.823 479 HB2 ALA 58 HB2 ALA 58 3.257 1.292 4.425 480 HB3 ALA 58 HB3 ALA 58 1.891 2.376 4.215 481 H ILE 59 H ILE 59 -0.631 1.677 4.136 482 HA ILE 59 HA ILE 59 -0.579 0.027 1.647 483 HB ILE 59 HB ILE 59 -2.925 1.349 3.050 484 HG12 ILE 59 HG12 ILE 59 -2.391 -1.567 2.339 485 HG13 ILE 59 HG13 ILE 59 -2.206 -0.873 3.919 486 HG21 ILE 59 HG21 ILE 59 -4.235 1.204 1.227 487 HG22 ILE 59 HG22 ILE 59 -2.747 1.262 0.292 488 HG23 ILE 59 HG23 ILE 59 -3.481 -0.298 0.625 489 HD11 ILE 59 HD11 ILE 59 -4.900 -0.336 2.954 490 HD12 ILE 59 HD12 ILE 59 -4.516 -2.067 2.912 491 HD13 ILE 59 HD13 ILE 59 -4.343 -1.163 4.428 492 H ILE 60 H ILE 60 -0.225 1.334 -0.195 493 HA ILE 60 HA ILE 60 -0.126 4.281 0.193 494 HB ILE 60 HB ILE 60 1.520 2.497 -1.660 495 HG12 ILE 60 HG12 ILE 60 2.138 4.344 0.667 496 HG13 ILE 60 HG13 ILE 60 2.255 2.598 0.698 497 HG21 ILE 60 HG21 ILE 60 2.474 4.645 -2.479 498 HG22 ILE 60 HG22 ILE 60 0.772 4.513 -2.870 499 HG23 ILE 60 HG23 ILE 60 1.282 5.523 -1.496 500 HD11 ILE 60 HD11 ILE 60 4.080 4.455 -0.871 501 HD12 ILE 60 HD12 ILE 60 4.465 3.468 0.551 502 HD13 ILE 60 HD13 ILE 60 4.071 2.676 -0.983 503 H CYS 61 H CYS 61 -1.702 5.356 -0.818 504 HA CYS 61 HA CYS 61 -2.810 4.329 -3.333 505 HB2 CYS 61 HB2 CYS 61 -5.139 4.529 -2.516 506 HB3 CYS 61 HB3 CYS 61 -4.252 3.283 -1.633 507 HG CYS 61 HG CYS 61 -6.044 4.965 -0.288 508 H LYS 62 H LYS 62 -4.270 6.049 -4.327 509 HA LYS 62 HA LYS 62 -3.358 8.793 -3.726 510 HB2 LYS 62 HB2 LYS 62 -5.171 7.488 -5.758 511 HB3 LYS 62 HB3 LYS 62 -5.252 9.235 -5.476 512 HG2 LYS 62 HG2 LYS 62 -2.674 9.188 -5.945 513 HG3 LYS 62 HG3 LYS 62 -2.995 7.585 -6.634 514 HD2 LYS 62 HD2 LYS 62 -4.771 8.593 -8.075 515 HD3 LYS 62 HD3 LYS 62 -4.399 10.188 -7.425 516 HE2 LYS 62 HE2 LYS 62 -2.538 8.426 -9.066 517 HE3 LYS 62 HE3 LYS 62 -3.458 9.805 -9.663 518 HZ1 LYS 62 HZ1 LYS 62 -1.251 10.461 -9.271 519 HZ2 LYS 62 HZ2 LYS 62 -1.225 9.829 -7.773 520 HZ3 LYS 62 HZ3 LYS 62 -2.118 11.184 -8.039 521 H ASN 63 H ASN 63 -6.207 6.738 -2.953 522 HA ASN 63 HA ASN 63 -7.320 8.871 -1.264 523 HB2 ASN 63 HB2 ASN 63 -8.407 8.191 -3.995 524 HB3 ASN 63 HB3 ASN 63 -9.578 8.319 -2.700 525 HD21 ASN 63 HD21 ASN 63 -7.789 10.124 -4.951 526 HD22 ASN 63 HD22 ASN 63 -7.869 11.677 -4.142 527 H ILE 64 H ILE 64 -9.592 7.953 -0.366 528 HA ILE 64 HA ILE 64 -9.958 5.136 -0.344 529 HB ILE 64 HB ILE 64 -7.859 5.321 1.062 530 HG12 ILE 64 HG12 ILE 64 -10.115 4.498 2.891 531 HG13 ILE 64 HG13 ILE 64 -9.514 3.489 1.581 532 HG21 ILE 64 HG21 ILE 64 -7.958 6.416 3.219 533 HG22 ILE 64 HG22 ILE 64 -8.286 7.591 1.960 534 HG23 ILE 64 HG23 ILE 64 -9.607 6.901 2.961 535 HD11 ILE 64 HD11 ILE 64 -7.857 4.470 3.985 536 HD12 ILE 64 HD12 ILE 64 -8.459 2.833 3.682 537 HD13 ILE 64 HD13 ILE 64 -7.236 3.531 2.612 538 H SER 65 H SER 65 -11.834 4.615 0.808 539 HA SER 65 HA SER 65 -13.717 6.803 1.432 540 HB2 SER 65 HB2 SER 65 -13.948 3.776 1.599 541 HB3 SER 65 HB3 SER 65 -15.276 4.924 1.854 542 HG SER 65 HG SER 65 -15.322 4.153 -0.226 543 H GLU 66 H GLU 66 -14.752 7.124 3.444 544 HA GLU 66 HA GLU 66 -13.128 7.399 5.658 545 HB2 GLU 66 HB2 GLU 66 -15.198 8.645 5.258 546 HB3 GLU 66 HB3 GLU 66 -16.182 7.208 5.502 547 HG2 GLU 66 HG2 GLU 66 -14.354 7.786 7.776 548 HG3 GLU 66 HG3 GLU 66 -15.415 9.131 7.404 549 H GLU 67 H GLU 67 -15.622 4.939 5.115 550 HA GLU 67 HA GLU 67 -15.279 3.661 7.630 551 HB2 GLU 67 HB2 GLU 67 -17.049 3.461 5.525 552 HB3 GLU 67 HB3 GLU 67 -16.176 1.962 5.322 553 HG2 GLU 67 HG2 GLU 67 -17.564 2.955 7.821 554 HG3 GLU 67 HG3 GLU 67 -18.282 1.856 6.664 555 H ASN 68 H ASN 68 -13.708 3.230 4.523 556 HA ASN 68 HA ASN 68 -12.423 0.674 5.161 557 HB2 ASN 68 HB2 ASN 68 -12.605 2.359 2.778 558 HB3 ASN 68 HB3 ASN 68 -10.920 2.051 3.144 559 HD21 ASN 68 HD21 ASN 68 -12.549 1.032 0.885 560 HD22 ASN 68 HD22 ASN 68 -12.094 -0.637 0.866 561 H TYR 69 H TYR 69 -11.532 4.135 5.197 562 HA TYR 69 HA TYR 69 -8.851 3.894 6.020 563 HB2 TYR 69 HB2 TYR 69 -9.969 6.018 5.360 564 HB3 TYR 69 HB3 TYR 69 -10.866 6.028 6.879 565 HD1 TYR 69 HD1 TYR 69 -9.473 6.043 9.137 566 HD2 TYR 69 HD2 TYR 69 -7.832 6.847 5.264 567 HE1 TYR 69 HE1 TYR 69 -7.374 6.747 10.189 568 HE2 TYR 69 HE2 TYR 69 -5.781 7.728 6.277 569 HH TYR 69 HH TYR 69 -4.541 7.830 8.220 570 H LYS 70 H LYS 70 -11.755 4.350 8.119 571 HA LYS 70 HA LYS 70 -10.248 3.873 10.494 572 HB2 LYS 70 HB2 LYS 70 -13.255 3.777 10.016 573 HB3 LYS 70 HB3 LYS 70 -12.470 3.866 11.608 574 HG2 LYS 70 HG2 LYS 70 -11.351 5.992 10.943 575 HG3 LYS 70 HG3 LYS 70 -12.148 5.923 9.371 576 HD2 LYS 70 HD2 LYS 70 -14.375 6.062 10.576 577 HD3 LYS 70 HD3 LYS 70 -13.447 6.414 12.055 578 HE2 LYS 70 HE2 LYS 70 -12.307 8.035 9.994 579 HE3 LYS 70 HE3 LYS 70 -14.051 8.110 9.720 580 HZ1 LYS 70 HZ1 LYS 70 -12.693 8.833 12.241 581 HZ2 LYS 70 HZ2 LYS 70 -14.338 8.892 11.956 582 HZ3 LYS 70 HZ3 LYS 70 -13.300 9.853 11.150 583 H LYS 71 H LYS 71 -11.824 1.569 8.328 584 HA LYS 71 HA LYS 71 -11.651 -0.633 10.187 585 HB2 LYS 71 HB2 LYS 71 -13.132 -0.384 8.137 586 HB3 LYS 71 HB3 LYS 71 -11.703 -0.774 7.162 587 HG2 LYS 71 HG2 LYS 71 -11.718 -3.013 7.858 588 HG3 LYS 71 HG3 LYS 71 -12.364 -2.624 9.453 589 HD2 LYS 71 HD2 LYS 71 -14.437 -3.218 8.840 590 HD3 LYS 71 HD3 LYS 71 -14.447 -1.982 7.606 591 HE2 LYS 71 HE2 LYS 71 -14.926 -3.922 6.443 592 HE3 LYS 71 HE3 LYS 71 -13.256 -3.575 6.054 593 HZ1 LYS 71 HZ1 LYS 71 -13.697 -5.888 6.504 594 HZ2 LYS 71 HZ2 LYS 71 -14.118 -5.583 8.042 595 HZ3 LYS 71 HZ3 LYS 71 -12.559 -5.317 7.516 596 H PHE 72 H PHE 72 -9.373 0.590 7.655 597 HA PHE 72 HA PHE 72 -7.609 -1.728 8.278 598 HB2 PHE 72 HB2 PHE 72 -7.690 0.205 5.981 599 HB3 PHE 72 HB3 PHE 72 -6.276 -0.738 6.344 600 HD1 PHE 72 HD1 PHE 72 -6.165 -3.101 6.219 601 HD2 PHE 72 HD2 PHE 72 -9.746 -0.997 5.081 602 HE1 PHE 72 HE1 PHE 72 -6.965 -5.126 5.047 603 HE2 PHE 72 HE2 PHE 72 -10.553 -3.021 3.910 604 HZ PHE 72 HZ PHE 72 -9.161 -5.112 3.893 605 H SER 73 H SER 73 -7.817 1.674 8.872 606 HA SER 73 HA SER 73 -5.093 2.148 9.664 607 HB2 SER 73 HB2 SER 73 -6.739 3.904 8.942 608 HB3 SER 73 HB3 SER 73 -7.555 3.708 10.504 609 HG SER 73 HG SER 73 -5.490 4.158 11.469 610 H LYS 74 H LYS 74 -6.925 -0.064 11.072 611 HA LYS 74 HA LYS 74 -6.584 0.648 13.893 612 HB2 LYS 74 HB2 LYS 74 -7.589 -1.510 14.323 613 HB3 LYS 74 HB3 LYS 74 -8.537 -0.591 13.125 614 HG2 LYS 74 HG2 LYS 74 -7.325 -1.953 11.317 615 HG3 LYS 74 HG3 LYS 74 -6.679 -2.961 12.630 616 HD2 LYS 74 HD2 LYS 74 -9.058 -3.407 13.349 617 HD3 LYS 74 HD3 LYS 74 -9.626 -2.475 11.996 618 HE2 LYS 74 HE2 LYS 74 -9.775 -4.715 11.345 619 HE3 LYS 74 HE3 LYS 74 -8.356 -4.107 10.487 620 HZ1 LYS 74 HZ1 LYS 74 -6.960 -5.241 12.051 621 HZ2 LYS 74 HZ2 LYS 74 -8.110 -6.306 11.591 622 HZ3 LYS 74 HZ3 LYS 74 -8.213 -5.582 13.065 623 H LYS 75 H LYS 75 -4.335 -0.153 11.656 624 HA LYS 75 HA LYS 75 -2.458 -0.986 13.536 625 HB2 LYS 75 HB2 LYS 75 -3.926 -3.214 12.493 626 HB3 LYS 75 HB3 LYS 75 -2.323 -3.304 11.796 627 HG2 LYS 75 HG2 LYS 75 -1.271 -3.342 13.931 628 HG3 LYS 75 HG3 LYS 75 -2.731 -2.843 14.760 629 HD2 LYS 75 HD2 LYS 75 -2.491 -5.181 15.179 630 HD3 LYS 75 HD3 LYS 75 -3.860 -4.947 14.096 631 HE2 LYS 75 HE2 LYS 75 -2.073 -5.367 12.194 632 HE3 LYS 75 HE3 LYS 75 -1.091 -6.041 13.498 633 HZ1 LYS 75 HZ1 LYS 75 -2.396 -7.762 12.413 634 HZ2 LYS 75 HZ2 LYS 75 -3.803 -6.946 12.689 635 HZ3 LYS 75 HZ3 LYS 75 -2.949 -7.595 13.933 636 H ILE 76 H ILE 76 -3.077 -1.789 10.163 637 HA ILE 76 HA ILE 76 -0.545 -0.984 9.077 638 HB ILE 76 HB ILE 76 -3.208 -1.320 7.702 639 HG12 ILE 76 HG12 ILE 76 -1.274 -3.615 7.917 640 HG13 ILE 76 HG13 ILE 76 -2.590 -3.396 9.046 641 HG21 ILE 76 HG21 ILE 76 -0.366 -1.547 6.684 642 HG22 ILE 76 HG22 ILE 76 -1.771 -1.894 5.719 643 HG23 ILE 76 HG23 ILE 76 -1.502 -0.275 6.275 644 HD11 ILE 76 HD11 ILE 76 -4.237 -3.346 7.184 645 HD12 ILE 76 HD12 ILE 76 -2.929 -3.665 6.027 646 HD13 ILE 76 HD13 ILE 76 -3.316 -4.879 7.246 647 H GLU 77 H GLU 77 0.004 1.031 8.117 648 HA GLU 77 HA GLU 77 -1.792 3.305 8.687 649 HB2 GLU 77 HB2 GLU 77 1.193 2.892 8.266 650 HB3 GLU 77 HB3 GLU 77 0.458 4.438 8.714 651 HG2 GLU 77 HG2 GLU 77 -0.142 3.735 10.832 652 HG3 GLU 77 HG3 GLU 77 -0.145 2.058 10.478 653 H ILE 78 H ILE 78 -2.650 4.550 7.012 654 HA ILE 78 HA ILE 78 -1.794 3.716 4.308 655 HB ILE 78 HB ILE 78 -4.079 5.511 5.042 656 HG12 ILE 78 HG12 ILE 78 -5.178 3.090 4.160 657 HG13 ILE 78 HG13 ILE 78 -3.833 2.556 5.120 658 HG21 ILE 78 HG21 ILE 78 -3.327 3.930 2.501 659 HG22 ILE 78 HG22 ILE 78 -4.847 4.812 2.711 660 HG23 ILE 78 HG23 ILE 78 -3.320 5.699 2.671 661 HD11 ILE 78 HD11 ILE 78 -4.733 4.049 7.006 662 HD12 ILE 78 HD12 ILE 78 -6.136 4.376 5.974 663 HD13 ILE 78 HD13 ILE 78 -5.819 2.734 6.538 664 H TYR 79 H TYR 79 -0.619 4.942 2.927 665 HA TYR 79 HA TYR 79 0.147 7.697 3.764 666 HB2 TYR 79 HB2 TYR 79 1.817 5.551 2.457 667 HB3 TYR 79 HB3 TYR 79 2.266 7.253 2.494 668 HD1 TYR 79 HD2 TYR 79 1.391 4.378 4.790 669 HD2 TYR 79 HD1 TYR 79 3.280 8.254 4.424 670 HE1 TYR 79 HE2 TYR 79 2.361 4.125 7.009 671 HE2 TYR 79 HE1 TYR 79 4.167 8.027 6.728 672 HH TYR 79 HH TYR 79 4.522 6.330 8.598 673 H HIS 80 H HIS 80 0.530 9.211 2.108 674 HA HIS 80 HA HIS 80 -1.424 8.796 -0.027 675 HB2 HIS 80 HB2 HIS 80 -0.913 11.004 1.400 676 HB3 HIS 80 HB3 HIS 80 0.356 11.228 0.214 677 HD1 HIS 80 HD1 HIS 80 -1.124 13.471 -0.535 678 HD2 HIS 80 HD2 HIS 80 -2.859 9.697 -1.275 679 HE1 HIS 80 HE1 HIS 80 -3.143 13.818 -2.119 680 H ALA 81 H ALA 81 -0.941 8.384 -2.105 681 HA ALA 81 HA ALA 81 1.851 8.178 -3.006 682 HB1 ALA 81 HB1 ALA 81 0.084 6.608 -3.835 683 HB2 ALA 81 HB2 ALA 81 -0.794 7.994 -4.534 684 HB3 ALA 81 HB3 ALA 81 0.846 7.554 -5.110 685 H GLU 82 H GLU 82 2.981 9.728 -3.912 686 HA GLU 82 HA GLU 82 1.897 12.406 -3.725 687 HB2 GLU 82 HB2 GLU 82 4.223 13.078 -3.975 688 HB3 GLU 82 HB3 GLU 82 4.114 11.750 -2.857 689 HG2 GLU 82 HG2 GLU 82 5.705 10.756 -4.040 690 HG3 GLU 82 HG3 GLU 82 4.496 10.369 -5.186 691 H GLY 83 H GLY 83 2.400 10.135 -6.077 692 HA2 GLY 83 HA2 GLY 83 1.657 11.588 -8.472 693 HA3 GLY 83 HA3 GLY 83 3.399 11.403 -8.198 694 H ASP 84 H ASP 84 2.038 10.155 -10.335 695 HA ASP 84 HA ASP 84 0.927 7.586 -9.611 696 HB2 ASP 84 HB2 ASP 84 1.593 8.887 -12.287 697 HB3 ASP 84 HB3 ASP 84 0.729 7.363 -12.103 698 H ASP 85 H ASP 85 4.034 8.663 -9.949 699 HA ASP 85 HA ASP 85 5.300 6.461 -11.364 700 HB2 ASP 85 HB2 ASP 85 6.282 8.918 -10.920 701 HB3 ASP 85 HB3 ASP 85 6.822 8.257 -9.481 702 H VAL 86 H VAL 86 4.839 4.508 -10.315 703 HA VAL 86 HA VAL 86 4.762 4.042 -7.553 704 HB VAL 86 HB VAL 86 5.555 2.293 -9.892 705 HG11 VAL 86 HG11 VAL 86 5.367 1.429 -6.957 706 HG12 VAL 86 HG12 VAL 86 5.367 0.333 -8.359 707 HG13 VAL 86 HG13 VAL 86 6.777 1.307 -8.040 708 HG21 VAL 86 HG21 VAL 86 3.376 1.232 -9.341 709 HG22 VAL 86 HG22 VAL 86 3.185 2.334 -7.982 710 HG23 VAL 86 HG23 VAL 86 3.177 2.968 -9.647 711 H ASP 87 H ASP 87 7.617 4.305 -9.708 712 HA ASP 87 HA ASP 87 9.442 3.140 -7.850 713 HB2 ASP 87 HB2 ASP 87 9.609 4.513 -10.495 714 HB3 ASP 87 HB3 ASP 87 11.048 4.593 -9.479 715 H LYS 88 H LYS 88 8.582 6.561 -8.618 716 HA LYS 88 HA LYS 88 10.288 7.711 -6.665 717 HB2 LYS 88 HB2 LYS 88 8.893 8.869 -8.510 718 HB3 LYS 88 HB3 LYS 88 7.483 8.652 -7.505 719 HG2 LYS 88 HG2 LYS 88 8.623 10.925 -7.489 720 HG3 LYS 88 HG3 LYS 88 8.154 10.242 -5.941 721 HD2 LYS 88 HD2 LYS 88 10.318 9.847 -5.251 722 HD3 LYS 88 HD3 LYS 88 10.977 9.746 -6.889 723 HE2 LYS 88 HE2 LYS 88 9.798 12.386 -6.143 724 HE3 LYS 88 HE3 LYS 88 11.245 11.917 -5.247 725 HZ1 LYS 88 HZ1 LYS 88 12.424 11.612 -7.329 726 HZ2 LYS 88 HZ2 LYS 88 11.796 13.117 -7.250 727 HZ3 LYS 88 HZ3 LYS 88 11.060 11.994 -8.194 728 H ASN 89 H ASN 89 7.077 6.216 -6.346 729 HA ASN 89 HA ASN 89 6.605 7.366 -3.736 730 HB2 ASN 89 HB2 ASN 89 5.212 5.296 -5.455 731 HB3 ASN 89 HB3 ASN 89 4.676 5.654 -3.815 732 HD21 ASN 89 HD21 ASN 89 5.682 7.658 -6.692 733 HD22 ASN 89 HD22 ASN 89 4.478 8.884 -6.422 734 H ILE 90 H ILE 90 7.979 4.338 -4.897 735 HA ILE 90 HA ILE 90 7.993 2.973 -2.338 736 HB ILE 90 HB ILE 90 9.575 2.601 -4.912 737 HG12 ILE 90 HG12 ILE 90 7.429 0.720 -3.808 738 HG13 ILE 90 HG13 ILE 90 7.044 2.037 -4.880 739 HG21 ILE 90 HG21 ILE 90 10.331 0.418 -3.999 740 HG22 ILE 90 HG22 ILE 90 10.901 1.711 -2.992 741 HG23 ILE 90 HG23 ILE 90 9.505 0.755 -2.459 742 HD11 ILE 90 HD11 ILE 90 8.925 -0.260 -5.536 743 HD12 ILE 90 HD12 ILE 90 7.275 -0.059 -6.102 744 HD13 ILE 90 HD13 ILE 90 8.533 1.092 -6.614 745 H SER 91 H SER 91 10.490 4.929 -4.153 746 HA SER 91 HA SER 91 12.476 4.587 -2.137 747 HB2 SER 91 HB2 SER 91 13.488 6.643 -3.325 748 HB3 SER 91 HB3 SER 91 13.303 5.128 -4.217 749 HG SER 91 HG SER 91 11.674 5.957 -5.398 750 H LEU 92 H LEU 92 9.934 7.064 -2.555 751 HA LEU 92 HA LEU 92 10.791 8.708 -0.353 752 HB2 LEU 92 HB2 LEU 92 8.071 8.213 -1.603 753 HB3 LEU 92 HB3 LEU 92 8.364 9.434 -0.351 754 HG LEU 92 HG LEU 92 9.935 9.430 -2.944 755 HD11 LEU 92 HD11 LEU 92 7.307 10.838 -2.331 756 HD12 LEU 92 HD12 LEU 92 7.551 9.551 -3.508 757 HD13 LEU 92 HD13 LEU 92 8.317 11.132 -3.750 758 HD21 LEU 92 HD21 LEU 92 10.815 10.759 -0.997 759 HD22 LEU 92 HD22 LEU 92 9.302 11.700 -1.029 760 HD23 LEU 92 HD23 LEU 92 10.397 11.697 -2.421 761 H PHE 93 H PHE 93 8.768 5.780 -0.520 762 HA PHE 93 HA PHE 93 7.810 5.936 2.170 763 HB2 PHE 93 HB2 PHE 93 6.678 4.613 0.458 764 HB3 PHE 93 HB3 PHE 93 8.096 3.616 0.223 765 HD1 PHE 93 HD2 PHE 93 5.726 4.672 2.974 766 HD2 PHE 93 HD1 PHE 93 8.329 1.612 1.372 767 HE1 PHE 93 HE2 PHE 93 5.048 3.156 4.789 768 HE2 PHE 93 HE1 PHE 93 7.627 0.094 3.171 769 HZ PHE 93 HZ PHE 93 5.984 0.852 4.896 770 H ILE 94 H ILE 94 10.562 4.157 0.705 771 HA ILE 94 HA ILE 94 11.468 2.819 2.992 772 HB ILE 94 HB ILE 94 12.938 3.911 0.559 773 HG12 ILE 94 HG12 ILE 94 12.287 1.024 1.315 774 HG13 ILE 94 HG13 ILE 94 11.176 2.016 0.379 775 HG21 ILE 94 HG21 ILE 94 14.073 2.001 2.662 776 HG22 ILE 94 HG22 ILE 94 14.847 2.429 1.141 777 HG23 ILE 94 HG23 ILE 94 14.632 3.662 2.360 778 HD11 ILE 94 HD11 ILE 94 12.445 0.639 -1.123 779 HD12 ILE 94 HD12 ILE 94 12.921 2.328 -1.369 780 HD13 ILE 94 HD13 ILE 94 13.983 1.214 -0.481 781 H GLU 95 H GLU 95 12.170 6.219 1.984 782 HA GLU 95 HA GLU 95 13.837 6.663 4.320 783 HB2 GLU 95 HB2 GLU 95 12.759 8.278 2.020 784 HB3 GLU 95 HB3 GLU 95 13.440 9.128 3.402 785 HG2 GLU 95 HG2 GLU 95 14.991 6.847 2.090 786 HG3 GLU 95 HG3 GLU 95 15.008 8.459 1.414 787 H GLY 96 H GLY 96 10.380 7.110 3.642 788 HA2 GLY 96 HA2 GLY 96 8.810 7.332 5.409 789 HA3 GLY 96 HA3 GLY 96 10.010 8.110 6.425 790 H GLU 97 H GLU 97 10.172 9.340 3.282 791 HA GLU 97 HA GLU 97 9.489 11.977 4.048 792 HB2 GLU 97 HB2 GLU 97 10.346 10.508 1.636 793 HB3 GLU 97 HB3 GLU 97 9.271 11.832 1.240 794 HG2 GLU 97 HG2 GLU 97 11.467 12.502 3.179 795 HG3 GLU 97 HG3 GLU 97 12.016 11.949 1.616 796 H LEU 98 H LEU 98 7.555 9.447 2.464 797 HA LEU 98 HA LEU 98 5.410 11.012 1.482 798 HB2 LEU 98 HB2 LEU 98 5.239 8.255 2.735 799 HB3 LEU 98 HB3 LEU 98 4.001 8.990 1.732 800 HG LEU 98 HG LEU 98 6.786 8.250 0.769 801 HD11 LEU 98 HD11 LEU 98 5.568 6.329 1.474 802 HD12 LEU 98 HD12 LEU 98 5.542 6.353 -0.295 803 HD13 LEU 98 HD13 LEU 98 4.100 6.825 0.656 804 HD21 LEU 98 HD21 LEU 98 4.326 9.303 -0.723 805 HD22 LEU 98 HD22 LEU 98 5.717 8.527 -1.526 806 HD23 LEU 98 HD23 LEU 98 5.918 10.021 -0.632 807 H SER 99 H SER 99 3.725 12.012 2.363 808 HA SER 99 HA SER 99 3.299 11.915 5.256 809 HB2 SER 99 HB2 SER 99 2.416 13.643 2.990 810 HB3 SER 99 HB3 SER 99 1.231 13.410 4.281 811 HG SER 99 HG SER 99 2.522 15.139 4.860 812 H LYS 100 H LYS 100 1.260 11.545 6.137 813 HA LYS 100 HA LYS 100 -0.025 9.145 5.004 814 HB2 LYS 100 HB2 LYS 100 -0.181 10.530 7.689 815 HB3 LYS 100 HB3 LYS 100 -1.258 9.206 7.204 816 HG2 LYS 100 HG2 LYS 100 0.674 7.724 6.783 817 HG3 LYS 100 HG3 LYS 100 1.784 9.047 7.172 818 HD2 LYS 100 HD2 LYS 100 1.713 7.629 9.052 819 HD3 LYS 100 HD3 LYS 100 0.868 9.135 9.457 820 HE2 LYS 100 HE2 LYS 100 -1.304 8.026 9.136 821 HE3 LYS 100 HE3 LYS 100 -0.495 6.534 8.610 822 HZ1 LYS 100 HZ1 LYS 100 0.430 6.291 10.816 823 HZ2 LYS 100 HZ2 LYS 100 -1.195 6.585 11.018 824 HZ3 LYS 100 HZ3 LYS 100 -0.058 7.751 11.259 825 H ILE 101 H ILE 101 -2.331 9.102 4.870 826 HA ILE 101 HA ILE 101 -3.520 11.605 3.813 827 HB ILE 101 HB ILE 101 -4.323 8.716 3.935 828 HG12 ILE 101 HG12 ILE 101 -3.693 10.508 1.573 829 HG13 ILE 101 HG13 ILE 101 -2.663 9.260 2.247 830 HG21 ILE 101 HG21 ILE 101 -6.022 11.059 2.944 831 HG22 ILE 101 HG22 ILE 101 -6.400 9.383 2.536 832 HG23 ILE 101 HG23 ILE 101 -6.442 9.898 4.209 833 HD11 ILE 101 HD11 ILE 101 -5.212 8.847 0.673 834 HD12 ILE 101 HD12 ILE 101 -3.574 8.291 0.311 835 HD13 ILE 101 HD13 ILE 101 -4.450 7.560 1.646 836 H SER 102 H SER 102 -5.442 12.419 4.808 837 HA SER 102 HA SER 102 -5.480 12.259 7.656 838 HB2 SER 102 HB2 SER 102 -7.569 13.632 5.928 839 HB3 SER 102 HB3 SER 102 -6.824 14.215 7.423 840 HG SER 102 HG SER 102 -6.307 15.181 5.282 841 H ASN 103 H ASN 103 -8.343 12.791 7.889 842 HA ASN 103 HA ASN 103 -9.532 10.094 7.671 843 HB2 ASN 103 HB2 ASN 103 -11.351 11.216 9.053 844 HB3 ASN 103 HB3 ASN 103 -9.869 10.746 9.846 845 HD21 ASN 103 HD21 ASN 103 -9.904 12.232 11.606 846 HD22 ASN 103 HD22 ASN 103 -9.993 13.956 11.340 847 HA PRO 104 HA PRO 104 -11.569 12.305 4.164 848 HB2 PRO 104 HB2 PRO 104 -12.057 10.053 2.684 849 HB3 PRO 104 HB3 PRO 104 -10.612 11.110 2.509 850 HG2 PRO 104 HG2 PRO 104 -10.886 8.508 4.006 851 HG3 PRO 104 HG3 PRO 104 -9.522 9.131 2.998 852 HD2 PRO 104 HD2 PRO 104 -9.519 9.203 5.740 853 HD3 PRO 104 HD3 PRO 104 -8.674 10.406 4.711
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